#DEFINITION	Reference Metabolome for Quercus aliena var. acutiserrata
#IDENTTFIER	RefMeta-Quercus aliena var. acutiserrata.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Quercus aliena var. acutiserrata
#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 Quercus aliena var. acutiserrata 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	998.5726
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15488	86.2
71.15819	100.0
116.71925	52.3
129.64482	52.4
156.74173	72.2
266.85956	62.9
345.11008	71.1
413.30975	63.6
522.38910	61.4
665.59033	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	10.2
71.71151	0.2
71.71506	0.3
72.99306	1.1
73.02958	1.6
75.00866	0.2
78.95932	0.4
80.02683	0.3
81.03458	0.5
83.01385	1.0
83.05032	0.7
85.02975	2.7
87.00875	2.3
89.02457	7.2
93.07092	0.3
95.01402	1.0
96.96021	0.7
97.02956	3.1
97.06602	0.7
99.00895	0.6
101.01763	0.5
101.02454	8.2
109.06613	0.6
111.00888	0.3
111.04523	0.3
111.08173	7.8
113.02467	4.9
116.92859	0.3
119.03510	1.9
119.08707	0.3
121.02962	0.3
123.04520	0.5
123.08130	0.4
125.02468	3.4
125.06155	0.3
125.09795	0.6
127.04025	0.3
127.07673	0.5
131.03540	0.5
137.02422	0.3
137.09760	1.2
139.04045	0.3
139.11314	0.3
141.01875	0.3
141.09219	0.4
141.79208	0.2
143.03554	1.7
149.04523	0.3
151.11327	0.5
153.09254	0.4
153.12860	0.9
155.10693	0.3
159.36684	0.2
161.04597	1.9
163.11288	0.7
165.12888	2.3
169.01534	0.3
169.12350	3.3
171.10307	2.4
179.05646	3.1
179.14449	0.5
181.12398	1.4
183.13899	0.7
185.11841	0.2
191.14531	0.3
193.12323	0.6
193.15987	0.5
197.11838	38.0
198.12210	2.3
199.13405	1.8
207.10327	0.4
209.11842	1.7
211.13414	6.8
212.13736	0.5
221.06654	1.4
223.13393	0.3
227.12910	2.5
228.13190	0.3
235.08209	2.8
247.20715	1.8
253.09320	1.3
261.33270	0.3
263.20139	1.9
265.18088	1.0
273.18607	1.2
277.09286	0.3
287.07709	0.7
289.83289	0.3
291.19659	24.9
292.19922	2.4
293.21106	0.3
300.99811	0.3
305.08813	1.1
309.20715	100.0
310.21054	9.8
323.09836	0.8
327.21500	0.5
333.20572	0.6
379.12476	1.5
397.13538	24.7
398.13849	2.3
415.14584	12.5
415.20279	0.3
416.14865	1.3
476.86871	0.3
577.24213	0.4
595.26428	0.3
601.41223	2.0
602.41034	0.5
689.34131	2.9
707.35144	4.8
708.35492	1.5
768.73871	0.3
925.14185	0.3
993.94641	0.3
999.56207	0.8
1034.32996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15539	9.8
80.82816	1.8
95.01393	3.5
100.53885	1.8
117.03553	1.9
123.00914	7.9
125.02476	7.6
145.03012	4.4
148.10741	1.9
157.02995	3.2
159.04550	4.6
161.02509	3.6
163.03996	3.3
173.02448	6.8
174.03188	1.7
175.04025	7.0
177.01990	6.3
185.02518	3.5
187.04100	2.8
189.01924	4.6
190.02612	3.2
190.99953	2.2
191.03569	5.6
201.01976	6.3
203.03546	13.2
205.01398	2.6
214.02631	2.6
217.01373	4.4
229.01398	8.0
231.02975	19.6
245.00890	8.3
247.02460	2.7
249.03992	21.2
251.03526	2.4
257.00858	8.3
258.01538	4.4
267.02890	2.4
273.00436	10.9
274.01126	13.3
275.01962	20.7
279.03085	2.4
281.00980	2.1
283.99506	2.6
287.01990	3.6
288.02759	7.9
289.84369	2.3
295.02463	2.7
296.03220	2.1
297.00388	2.5
298.01355	3.9
298.98578	2.2
299.01993	4.4
299.99197	7.5
300.99918	82.0
302.00452	6.4
307.02530	4.1
309.03741	2.9
311.01920	3.4
312.02829	2.1
312.53775	1.9
312.99896	2.8
314.00604	3.1
315.01462	2.8
321.04291	2.7
325.03384	3.6
327.01434	4.6
335.01996	2.8
336.02863	2.7
337.03766	2.3
338.57947	2.3
340.02029	2.4
351.01291	3.3
353.03134	2.8
363.01340	4.1
364.02365	4.3
365.02747	2.9
377.03036	3.1
379.00870	5.2
380.01834	2.0
381.02209	4.1
393.02493	2.9
405.02390	2.7
406.99988	2.6
407.25772	1.9
421.01947	3.8
423.03629	5.0
425.01520	23.1
441.04761	2.1
449.01382	5.5
451.02951	2.7
467.02667	4.1
467.09329	2.0
569.05701	5.1
587.06622	6.1
613.05267	3.5
631.05945	91.1
632.06500	13.3
915.04041	2.6
933.06720	100.0
934.06732	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	996.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	58.2
98.20660	26.9
171.10207	37.5
184.47021	16.0
197.11774	25.0
209.11823	55.0
225.11272	16.7
227.12958	19.9
300.99960	16.6
309.20605	39.1
323.05624	25.0
397.13660	25.8
487.34094	100.0
488.34122	22.5
867.88654	18.2
997.53235	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	0.8
71.01385	21.0
72.01738	0.3
72.99306	2.3
73.02959	0.6
74.48965	0.2
79.01910	0.6
79.52814	0.3
81.03458	0.5
83.01391	2.1
85.02956	5.2
87.00900	1.0
89.02453	16.0
90.06903	0.2
95.01399	2.8
97.02956	0.8
101.02451	13.4
107.01394	7.2
111.00912	2.4
113.02464	8.4
119.03516	5.6
120.03867	0.3
121.02966	0.4
123.00890	4.1
124.01630	2.0
125.02461	38.1
126.02790	1.1
127.00396	1.0
131.03516	0.4
136.98846	1.8
137.02454	0.7
138.03334	0.4
139.00397	3.5
139.04045	1.1
140.01181	3.8
141.01985	0.4
149.02408	0.3
151.00356	2.1
153.01982	0.5
154.99896	0.5
165.01936	1.6
166.99918	0.4
167.03534	2.3
168.00662	17.6
169.01439	47.9
170.01790	1.6
177.01999	0.3
179.05797	0.3
181.01427	0.3
182.02208	0.4
183.03052	0.7
193.01440	0.6
197.04562	0.3
211.02483	64.9
212.02861	3.7
241.03526	1.2
241.98499	0.3
271.04581	39.7
272.04944	2.7
313.05658	4.1
340.55066	0.2
397.72528	0.3
407.29645	0.4
409.31213	0.6
437.30685	1.2
455.31714	4.8
456.31879	0.7
473.32913	0.3
499.30579	0.4
517.31665	6.7
518.31812	1.5
532.54224	0.3
559.32990	0.3
679.37140	3.5
680.37579	0.9
697.06812	0.3
831.38257	28.4
832.38428	6.8
841.42566	2.0
842.42102	0.3
915.36237	0.3
993.43646	100.0
994.44019	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	990.6833
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62652	1.4
70.63012	1.0
71.01378	0.9
78.95920	3.4
87.04504	0.7
88.98815	5.1
90.51466	0.6
101.02444	0.8
116.92890	1.4
125.02479	0.9
128.95476	0.6
209.11777	2.6
210.12274	0.8
224.06934	0.8
254.87592	0.5
277.21405	0.5
279.23306	12.0
280.23654	1.7
292.60526	0.6
300.99823	0.6
318.88547	0.6
359.39328	0.6
397.13733	0.9
446.42899	0.6
453.33813	3.3
454.33859	1.1
471.34805	100.0
472.35165	18.0
504.30936	25.4
504.38525	0.8
505.31259	3.6
577.93195	0.6
864.49799	0.8
990.68634	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	985.6651
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05019	0.2
77.52353	0.1
86.26015	0.1
88.98824	0.1
116.92854	0.3
119.94864	0.1
145.02998	0.1
167.93320	0.1
211.07564	0.1
218.88499	0.1
253.09412	0.2
277.21649	0.8
291.19641	0.2
397.13989	0.1
403.35217	0.1
469.33392	1.3
470.33591	1.7
471.34814	100.0
472.35168	18.5
611.13757	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.6651
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	0.1
71.01397	0.5
71.05030	0.5
71.32015	0.2
73.02947	0.1
81.03452	0.2
82.95412	0.1
83.05035	0.1
85.02965	0.2
89.02465	0.3
95.01396	0.1
95.05027	0.3
96.96016	0.2
97.02971	0.1
97.06590	0.1
101.02462	0.3
101.70086	0.1
113.02470	0.1
116.92857	0.2
119.03510	0.1
123.55629	0.1
125.02398	0.2
140.55649	0.1
143.03462	0.1
155.10880	0.1
161.04523	0.1
171.10284	0.7
179.05574	0.2
182.79477	0.1
183.14041	0.1
209.11894	0.1
211.13354	0.4
229.14409	0.4
235.08281	0.2
253.09238	0.5
277.21756	0.6
279.23297	2.4
280.23611	0.2
291.19772	0.2
306.23135	0.1
309.20651	0.4
327.21759	3.1
328.22009	0.3
347.40530	0.1
397.08682	0.1
397.13376	0.9
405.31573	0.8
406.31793	0.1
415.14658	0.5
437.30478	0.1
469.33209	100.0
470.33548	13.7
515.31879	0.1
707.35223	0.3
725.36548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.51
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	51.0
78.95931	31.4
93.32241	18.4
94.89101	18.9
96.96069	41.4
98.20657	39.4
101.02464	28.8
111.03165	21.1
116.92883	65.3
119.66201	21.7
140.89348	17.4
172.80545	20.3
197.11847	20.3
209.11855	100.0
210.12209	40.4
211.13210	26.7
229.53438	24.8
276.40375	21.5
277.21814	44.0
278.22104	37.1
291.19525	26.0
307.19275	19.1
309.20721	56.1
329.09680	18.7
379.12637	20.5
397.13354	57.3
398.13913	27.3
399.13925	34.9
469.33179	47.4
658.33978	21.8
658.52814	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	985.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	0.3
69.44941	0.8
69.45377	0.9
71.01386	4.6
72.99310	0.5
73.02953	1.0
83.01392	0.7
83.05020	0.2
85.02947	1.5
87.00870	0.9
89.02452	3.6
95.01382	0.4
97.02962	0.3
97.06571	0.3
98.20634	0.4
99.00887	0.4
101.02455	4.5
109.02953	0.2
110.69771	0.1
111.00868	0.3
111.04530	0.2
111.08179	0.7
113.02472	2.1
119.03518	1.3
121.02927	0.2
123.00888	0.4
125.02452	0.9
131.03520	0.2
133.05086	0.3
137.02437	0.2
143.03517	0.6
144.32672	0.2
149.02524	0.2
150.03195	0.3
151.00461	0.4
151.04012	0.2
161.04587	2.0
161.05916	0.3
165.05525	0.2
165.12860	7.3
166.13184	0.3
169.01454	0.9
177.01897	0.2
179.03534	0.2
179.05574	0.5
183.13910	77.4
184.14256	3.3
191.05695	0.4
195.06636	0.3
209.11819	1.4
211.02464	0.3
211.13385	0.2
227.12872	6.7
228.13205	0.3
231.03127	0.2
235.08328	0.5
253.09282	5.5
254.09680	0.3
271.04498	0.2
275.01947	0.2
300.99872	0.4
301.03549	0.2
301.16513	0.3
312.09985	0.2
354.77164	0.2
370.04486	0.2
463.21817	100.0
464.22168	9.7
464.28915	0.3
465.22632	0.2
521.19470	2.0
521.26160	1.1
522.20349	0.3
522.27423	0.2
569.99249	0.2
985.42743	0.4
989.19098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.474
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	46.9
71.73019	21.5
75.00865	16.1
78.91918	15.2
78.95941	27.6
82.54086	14.7
85.02955	16.2
96.96040	19.8
109.06622	17.6
110.48812	15.6
113.02448	24.6
121.02996	31.7
125.02516	22.7
156.24834	15.7
159.47931	14.2
171.10321	20.3
180.24347	16.0
197.11728	17.8
209.11868	61.2
225.11414	24.5
227.13004	21.6
266.93176	17.5
275.02032	21.1
279.06726	17.0
291.19647	16.3
293.21100	19.1
300.38455	16.6
301.00037	23.5
397.13379	31.8
485.32697	27.1
487.34421	100.0
488.34711	49.6
492.34140	16.0
501.32288	36.5
692.78357	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	980.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55710	90.0
71.01387	29.9
75.00890	9.9
75.31998	8.2
89.02458	19.9
101.02442	16.9
113.02422	14.3
125.02442	16.3
150.38901	8.4
197.11835	21.5
209.11887	100.0
210.12167	34.6
223.13380	12.1
227.12952	13.6
291.19617	19.1
300.99747	21.4
309.20728	52.9
310.21054	33.4
311.21658	16.5
338.29752	9.1
397.13666	27.5
398.14066	18.4
399.13898	12.5
447.31125	11.1
525.87048	10.0
777.88739	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	978.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	55.6
72.01709	15.6
80.96512	12.3
84.08424	12.3
87.00900	15.8
88.98804	12.8
89.02454	34.8
96.96066	11.8
98.19841	33.3
101.02438	28.6
109.06575	21.8
115.50554	12.1
116.92883	21.2
122.34237	11.9
125.02465	28.3
125.09817	15.6
135.35028	15.0
167.15836	13.7
197.11844	36.2
207.10255	27.7
208.10664	14.2
209.11850	100.0
210.12125	43.0
211.13440	17.2
213.97523	13.4
224.98959	14.9
225.11237	28.4
229.47989	13.9
277.91922	11.9
278.97290	12.7
285.04083	16.1
289.18182	16.7
291.19489	14.7
293.20319	14.8
301.00009	24.0
303.62823	14.2
307.19049	17.9
308.19467	18.6
309.20551	54.8
310.21075	21.2
331.43051	12.2
397.13528	34.4
398.13840	15.5
412.46542	14.5
422.37332	12.3
487.34137	32.3
918.46552	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	977.5
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	2.1
69.73364	0.4
70.55029	0.8
71.00990	0.7
71.01384	15.2
71.05016	0.5
72.99299	1.2
73.02943	2.0
73.48783	0.4
75.00871	0.8
80.02676	1.2
81.03472	2.2
83.01396	1.3
83.05029	6.2
84.02168	0.9
85.02965	3.9
87.00877	3.3
89.02450	12.3
95.01398	1.6
95.05041	1.0
97.02956	5.5
97.06581	0.9
99.00915	0.8
101.02454	11.1
109.06591	0.8
111.08155	4.2
113.02474	7.2
117.15439	0.4
119.03523	3.4
125.02459	5.5
125.06123	0.8
125.09737	1.3
126.15699	0.4
127.07669	0.7
131.03516	0.7
135.08185	0.6
137.09750	1.3
143.03569	2.1
149.04564	0.6
161.04553	2.9
163.11298	6.1
164.11627	0.4
165.12846	6.2
167.03346	0.5
169.12361	1.5
171.10278	2.5
179.05609	4.6
179.14432	0.6
181.12338	1.8
183.13896	0.6
191.10803	1.2
193.12314	0.7
193.15910	0.4
197.11841	19.7
198.12178	0.5
199.13399	1.3
209.11833	100.0
210.12125	7.4
211.13377	4.7
217.06921	0.5
221.06610	2.1
223.13371	1.1
227.12891	13.7
228.13196	1.5
235.08206	4.8
241.04581	0.4
246.13625	0.4
247.20636	1.9
253.09218	1.7
263.07599	0.4
263.20114	1.0
273.18716	1.2
287.07678	1.3
291.19662	25.6
292.20007	2.5
293.21170	0.9
305.08722	2.2
309.20703	83.7
310.21042	8.3
323.09811	1.4
333.20901	0.8
369.26346	0.7
379.12469	5.8
397.13501	40.5
398.13916	3.4
415.14575	15.0
416.14758	1.5
447.31088	6.7
448.31302	1.3
461.28671	0.7
501.32339	1.1
517.21692	0.5
589.25311	1.2
607.26056	5.4
608.26727	0.9
689.34344	3.2
690.33685	0.7
707.35138	5.1
708.35834	1.1
899.46631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.614
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	21.1
80.19747	7.3
89.02444	22.5
99.88015	7.7
101.02459	20.2
113.02480	13.1
125.02472	17.3
125.86075	7.1
128.80212	7.1
143.03519	8.1
156.11473	7.3
158.51747	7.2
181.16292	8.0
224.81880	6.9
255.23257	100.0
256.23691	9.4
277.21686	83.9
278.22159	10.7
379.12521	23.3
397.13498	58.1
735.04822	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	975.484
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	3.3
70.15857	2.7
70.16262	2.0
70.46812	0.9
71.01385	25.6
72.99313	2.9
73.02941	4.0
78.95915	1.1
80.02677	1.2
81.03459	3.8
82.89139	0.9
83.01408	4.1
83.05035	7.6
85.02958	6.7
87.00889	6.0
88.98808	1.2
89.02454	23.9
95.01405	2.8
95.05048	2.8
96.96037	1.4
97.02956	13.4
97.06615	3.1
99.00900	3.9
101.02447	18.4
101.03065	1.6
109.06602	16.7
110.03755	1.4
111.00906	1.4
111.08192	3.8
113.02442	10.6
116.92831	1.4
119.03522	5.9
119.05077	1.0
121.03018	1.0
121.06603	2.6
123.00869	1.6
123.04546	1.3
123.08207	0.9
125.02473	7.9
125.06107	1.0
125.09760	2.8
125.21759	0.8
127.04015	1.0
135.08188	3.4
136.05348	1.9
137.09708	2.7
141.01942	2.2
142.02745	2.1
143.03596	4.9
151.07642	1.0
161.04556	5.5
163.11301	18.3
165.12865	4.4
167.03511	0.9
169.12367	1.5
171.10336	2.6
179.05643	5.6
179.10809	2.0
180.49376	0.9
181.12349	4.6
183.13820	1.2
185.11867	3.9
189.09286	1.2
191.10783	1.5
191.14465	2.8
197.11827	12.1
198.12128	0.9
203.03534	1.0
207.10275	51.6
208.10614	1.9
209.11836	100.0
210.12195	3.1
211.13376	3.8
221.06674	2.7
225.11334	24.7
226.11653	1.5
227.12906	12.3
235.08179	6.1
237.11571	0.9
243.12372	1.4
245.19089	5.8
246.74426	1.1
247.20697	1.5
248.03210	1.0
249.03911	1.5
253.09256	3.1
263.20071	2.4
265.30658	1.0
271.16928	1.6
273.18399	1.0
287.07700	1.4
289.18085	26.3
290.18433	1.4
291.19601	12.3
300.99951	1.2
305.08716	3.2
307.19147	34.4
308.19632	2.6
309.20715	43.1
310.21100	3.4
314.13156	1.0
323.10022	1.4
379.12344	4.2
397.13525	49.0
398.13739	4.6
415.14594	19.0
416.14581	1.2
473.32318	1.0
487.34314	16.1
499.30692	1.5
502.04691	1.0
513.10211	0.9
519.07440	1.3
532.54767	1.2
589.24664	1.9
605.24365	5.2
607.26019	3.3
623.25800	4.5
687.33136	1.3
705.33160	1.1
707.35126	3.9
799.37982	2.3
817.39276	1.3
897.44995	4.9
898.46704	1.1
915.46118	47.0
916.46436	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	971.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	11.8
71.76538	0.4
72.99321	1.3
74.31413	0.4
81.03457	0.5
83.01392	0.7
85.02982	2.1
87.00893	1.2
89.02455	11.9
93.03468	3.5
95.01411	1.5
99.00884	0.4
99.92630	0.6
101.02453	6.3
107.05108	0.5
108.02186	1.1
109.02978	1.6
113.02458	4.3
116.92880	4.5
117.03488	0.7
119.03523	4.6
121.02975	6.1
122.03757	15.2
123.00909	1.4
123.04533	1.6
124.01678	0.9
124.33342	0.4
125.02461	2.0
131.03497	0.5
132.02174	0.6
133.02963	2.0
134.03775	1.6
135.04552	1.7
136.01675	7.5
137.02492	4.8
143.03491	1.4
145.02960	2.3
146.03760	2.4
147.04538	0.9
149.02460	25.6
149.06102	1.2
150.03239	100.0
151.00439	2.5
151.04036	17.4
152.04587	0.7
153.01959	0.6
153.05470	0.5
153.22047	0.4
160.05209	0.4
161.02483	2.4
161.04568	1.7
161.06076	1.4
162.03246	17.1
163.03926	1.2
164.04805	5.1
165.01979	2.2
165.05583	90.6
166.02736	9.1
166.05899	3.4
167.03432	1.4
167.98044	0.3
169.01430	1.4
175.04086	1.1
176.01141	0.5
176.04723	0.5
177.01947	1.3
177.05585	10.9
178.02663	0.5
179.03644	0.7
179.05620	4.0
179.07167	5.4
180.04303	7.8
181.05074	11.8
182.05432	0.5
187.04082	1.0
188.04799	0.6
190.06340	0.7
191.03514	0.7
192.04330	0.7
193.05070	1.0
195.06633	50.6
196.06989	1.6
203.03415	0.5
204.04155	0.5
205.05119	2.4
207.06599	1.1
209.11908	0.6
210.88640	0.4
219.06554	0.9
220.07419	1.3
225.07690	0.9
275.01889	0.4
297.07535	0.4
300.99954	0.6
315.08743	0.6
329.10498	0.8
329.46423	0.4
371.11163	0.8
373.13013	1.1
387.10120	0.7
387.14844	3.3
388.11118	0.5
402.13297	1.2
403.13818	0.8
416.14569	0.6
417.09998	0.5
417.15628	8.1
418.15619	0.4
421.14948	1.2
470.71317	0.4
535.16992	1.1
550.17773	0.6
564.19373	0.5
565.20795	13.5
566.20972	1.8
577.20740	1.5
583.21033	0.9
595.21881	2.8
613.22998	11.2
614.23877	1.9
619.21527	0.5
667.23895	1.2
668.23639	0.4
713.26147	2.6
725.26208	3.2
726.25696	0.7
743.27289	3.3
744.26813	0.6
761.28436	8.1
762.28522	1.5
773.28076	2.9
774.28748	0.6
775.27484	0.5
791.29553	3.6
809.30481	18.7
810.30408	3.9
923.33234	1.9
924.34570	0.5
971.37598	2.9
972.37714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	11.8
71.76538	0.4
72.99321	1.3
74.31413	0.4
81.03457	0.5
83.01392	0.7
85.02982	2.1
87.00893	1.2
89.02455	11.9
93.03468	3.5
95.01411	1.5
99.00884	0.4
99.92630	0.6
101.02453	6.3
107.05108	0.5
108.02186	1.1
109.02978	1.6
113.02458	4.3
116.92880	4.5
117.03488	0.7
119.03523	4.6
121.02975	6.1
122.03757	15.2
123.00909	1.4
123.04533	1.6
124.01678	0.9
124.33342	0.4
125.02461	2.0
131.03497	0.5
132.02174	0.6
133.02963	2.0
134.03775	1.6
135.04552	1.7
136.01675	7.5
137.02492	4.8
143.03491	1.4
145.02960	2.3
146.03760	2.4
147.04538	0.9
149.02460	25.6
149.06102	1.2
150.03239	100.0
151.00439	2.5
151.04036	17.4
152.04587	0.7
153.01959	0.6
153.05470	0.5
153.22047	0.4
160.05209	0.4
161.02483	2.4
161.04568	1.7
161.06076	1.4
162.03246	17.1
163.03926	1.2
164.04805	5.1
165.01979	2.2
165.05583	90.6
166.02736	9.1
166.05899	3.4
167.03432	1.4
167.98044	0.3
169.01430	1.4
175.04086	1.1
176.01141	0.5
176.04723	0.5
177.01947	1.3
177.05585	10.9
178.02663	0.5
179.03644	0.7
179.05620	4.0
179.07167	5.4
180.04303	7.8
181.05074	11.8
182.05432	0.5
187.04082	1.0
188.04799	0.6
190.06340	0.7
191.03514	0.7
192.04330	0.7
193.05070	1.0
195.06633	50.6
196.06989	1.6
203.03415	0.5
204.04155	0.5
205.05119	2.4
207.06599	1.1
209.11908	0.6
210.88640	0.4
219.06554	0.9
220.07419	1.3
225.07690	0.9
275.01889	0.4
297.07535	0.4
300.99954	0.6
315.08743	0.6
329.10498	0.8
329.46423	0.4
371.11163	0.8
373.13013	1.1
387.10120	0.7
387.14844	3.3
388.11118	0.5
402.13297	1.2
403.13818	0.8
416.14569	0.6
417.09998	0.5
417.15628	8.1
418.15619	0.4
421.14948	1.2
470.71317	0.4
535.16992	1.1
550.17773	0.6
564.19373	0.5
565.20795	13.5
566.20972	1.8
577.20740	1.5
583.21033	0.9
595.21881	2.8
613.22998	11.2
614.23877	1.9
619.21527	0.5
667.23895	1.2
668.23639	0.4
713.26147	2.6
725.26208	3.2
726.25696	0.7
743.27289	3.3
744.26813	0.6
761.28436	8.1
762.28522	1.5
773.28076	2.9
774.28748	0.6
775.27484	0.5
791.29553	3.6
809.30481	18.7
810.30408	3.9
923.33234	1.9
924.34570	0.5
971.37598	2.9
972.37714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99830	0.3
69.82191	0.1
71.01385	5.5
72.01718	0.1
72.99310	0.8
73.02947	0.5
75.00869	1.4
75.78638	0.1
79.01886	0.1
80.05687	0.1
83.01393	0.5
84.02168	0.1
85.02956	7.8
86.03288	0.2
87.00880	1.5
89.02436	0.8
91.01893	0.4
93.02905	0.2
93.03458	1.6
93.03998	0.2
95.01398	2.4
96.01776	0.1
99.00888	2.7
101.00788	0.1
101.02458	0.3
103.00388	1.5
107.01405	1.8
109.02964	0.8
111.00904	0.2
113.02459	10.8
114.02798	0.3
115.00372	0.7
117.01946	1.0
117.03459	0.4
119.01382	0.2
121.02940	0.2
123.00911	0.1
123.04601	0.1
129.01965	0.6
130.04250	0.1
131.05051	0.2
135.00914	1.0
135.04555	0.2
137.02431	0.3
139.00391	0.2
141.07170	0.2
143.05029	1.1
145.02962	0.3
145.06654	0.2
146.03755	0.1
151.00383	1.1
153.01962	0.4
154.04265	0.3
155.05046	0.3
156.05704	0.2
157.01512	0.2
157.06604	0.7
158.03806	0.1
159.04518	1.4
161.02480	0.3
161.06062	0.2
163.00394	2.1
164.01076	0.3
165.01958	0.5
167.05014	0.5
168.05727	0.2
169.01399	0.3
169.02829	0.1
169.06577	0.8
170.03740	0.1
171.04546	0.9
173.02423	0.3
173.06017	0.2
174.03171	0.2
175.02487	4.9
176.02831	0.1
179.07185	0.2
183.04539	0.5
184.05313	0.3
185.04439	0.2
185.06076	2.7
186.06361	0.2
187.04018	3.0
188.04317	0.1
189.05579	1.1
195.04521	0.6
196.05235	0.3
197.06096	0.9
198.03252	0.2
199.03986	0.6
201.05592	0.6
211.04005	1.6
212.04622	0.4
213.05560	2.1
214.02690	0.4
214.05989	0.2
215.03514	0.4
223.04016	0.3
226.02713	0.2
227.03510	2.5
227.12920	0.3
228.03981	0.1
229.05048	11.1
230.05389	0.8
230.25635	0.1
239.03494	1.4
240.04237	0.8
241.05032	1.7
243.03098	0.5
255.02986	1.2
256.03696	0.8
257.04532	6.4
258.04868	0.5
267.02972	1.0
284.03268	0.4
285.04028	100.0
286.04370	8.8
300.02817	0.3
357.06284	0.1
461.07211	50.7
462.07587	6.5
462.14423	0.2
509.20361	0.1
537.18140	0.1
537.25568	1.8
538.25757	0.3
621.03088	0.1
805.65472	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	964.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	41.4
73.05069	14.1
89.02451	44.1
101.02453	50.3
113.02473	14.4
119.08643	17.4
121.02974	14.9
125.02444	20.9
137.74432	18.6
170.98352	15.0
211.13394	100.0
212.13780	73.4
213.13882	21.2
230.02266	14.6
277.21722	61.9
278.22223	25.2
279.22455	20.3
307.19012	17.6
332.35300	14.5
397.13406	61.3
398.14059	21.3
416.84711	16.9
946.51300	17.1
947.54205	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.3
69.46788	0.6
69.47218	0.9
71.01398	0.5
71.05017	0.2
72.79266	0.1
75.00883	0.3
78.95941	0.2
83.05020	0.2
85.02959	0.2
96.96044	0.4
97.06628	0.2
101.02470	0.3
103.13166	0.1
111.00867	0.3
111.08176	1.4
113.02448	0.2
116.92886	0.4
121.02956	0.2
122.97765	0.1
123.00992	0.2
125.02472	0.3
125.09751	0.2
129.01965	0.6
137.02440	0.2
138.59052	0.1
150.03246	0.2
151.00392	0.1
151.04013	0.2
161.04472	0.1
163.11424	0.2
165.05643	0.3
165.12863	21.5
166.13197	1.2
171.10306	0.3
175.31688	0.1
179.03586	0.2
183.13914	88.8
184.14246	5.5
190.06299	0.2
191.10861	0.4
195.06726	0.3
209.11848	6.6
210.12138	0.8
227.12894	100.0
228.13211	7.0
229.01279	0.2
235.08284	0.2
253.09302	0.2
275.02075	0.1
285.04059	0.2
300.99792	0.3
341.23563	0.3
445.20529	0.4
516.20386	0.2
553.20520	0.2
637.32068	0.2
655.33911	0.2
755.52087	0.1
761.86511	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6886
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.6
78.95875	0.7
79.95734	1.3
80.96497	2.1
81.03464	0.5
91.91266	0.5
96.95998	3.7
98.20834	0.5
101.02465	0.6
102.65546	0.4
125.02483	0.6
149.67653	0.5
165.12801	1.0
183.13913	5.7
197.11852	1.2
209.11848	6.8
220.58197	0.6
225.11418	0.5
227.12810	1.2
229.65392	0.7
277.21817	0.8
285.04263	0.5
291.19705	0.6
309.20782	1.1
430.23553	0.5
471.34775	100.0
472.35101	18.6
695.32739	0.5
729.29425	0.6
965.69098	99.9
966.69427	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99867	0.9
69.03462	2.0
70.50160	0.9
71.01387	32.2
71.70043	1.2
71.70448	1.2
72.99310	2.5
73.02959	2.9
75.00869	0.9
77.07314	1.0
80.02692	1.5
81.03490	2.9
83.01400	2.7
83.05019	6.5
84.02168	1.0
85.02975	4.3
87.00879	6.4
88.98835	1.4
89.02458	21.7
95.01412	2.2
95.05040	1.4
97.02952	5.6
97.06605	1.9
99.00880	1.8
101.02454	19.6
109.06607	9.3
111.08109	2.3
112.94070	0.9
113.02460	11.6
116.92865	1.4
116.94945	0.9
119.03516	8.6
121.02997	1.1
121.06559	1.0
123.04507	2.3
125.02460	6.1
125.06106	1.0
125.09707	2.9
131.03447	1.8
135.08095	1.7
137.09756	0.9
143.03502	3.9
161.04576	5.8
161.62103	1.0
163.11302	9.1
165.12845	4.6
171.10298	5.4
179.05649	8.4
179.07071	1.6
181.12354	4.0
183.64804	0.9
185.11823	2.9
191.10699	1.2
191.14336	1.1
197.11826	10.7
199.09853	1.1
199.13451	1.3
201.11374	2.7
207.10271	24.0
208.10689	2.3
209.11838	100.0
210.12192	7.1
211.13417	2.2
221.06674	2.6
225.11314	21.7
227.12894	26.3
228.13301	2.1
235.08218	5.5
243.12306	1.2
245.19052	4.7
253.09276	2.1
263.07657	1.5
263.20099	2.3
271.17102	1.3
285.03833	1.3
287.07590	1.9
289.18079	22.4
290.18411	2.6
291.19598	10.3
307.19098	23.8
307.22375	1.5
308.19470	3.1
309.20703	32.8
310.21097	2.4
323.09897	2.5
379.12421	2.8
397.13510	49.8
398.13873	3.9
415.14511	20.1
416.14847	1.9
463.30737	2.2
487.34244	1.8
589.25153	1.3
605.24310	3.2
607.26038	1.4
623.25665	4.4
883.37756	3.0
897.44861	1.4
915.46136	12.4
916.46509	5.7
969.45367	10.7
970.45245	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	964.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45387	100.0
69.45806	15.7
71.01379	45.0
78.91894	33.1
79.95729	29.5
80.96507	25.1
83.05041	10.1
89.02431	26.0
90.45538	10.3
96.96021	38.3
97.03051	11.4
98.20567	20.3
101.02444	18.8
109.06609	20.5
113.02458	12.9
125.13138	10.0
128.36771	9.6
176.60434	11.9
207.10220	53.3
209.11868	60.2
210.12271	15.2
225.11279	19.4
225.75835	11.4
227.12944	13.0
277.21698	60.9
307.19467	11.8
357.05914	11.7
379.12750	9.8
397.13474	33.3
415.15149	13.6
544.05396	10.6
605.24780	13.0
667.29108	11.3
883.47296	22.2
884.47455	16.8
958.55518	12.2
964.54712	15.6
965.43860	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01400	1.0
78.95921	3.9
81.45796	0.5
87.00829	0.4
89.02477	0.8
98.16763	0.4
98.20653	0.9
101.02470	0.5
128.41881	0.5
129.56911	0.5
132.74684	0.5
152.99658	1.1
168.04234	0.7
183.13942	0.5
207.10252	1.7
209.11842	1.2
224.06798	2.2
225.11250	1.1
246.36000	0.5
255.23291	24.0
256.23657	1.2
277.21750	1.8
397.13522	1.6
405.31708	0.6
469.33246	100.0
470.33588	7.4
471.33939	0.9
480.30978	40.6
481.31207	1.6
529.66534	0.6
963.66235	0.7
964.67627	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	964.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01396	75.3
71.65480	14.2
71.65913	13.2
85.02961	15.0
89.02448	49.0
97.02951	15.1
99.00876	20.9
101.02457	44.9
110.35178	11.0
125.02438	28.9
135.08174	15.0
142.96631	14.2
153.21635	13.2
171.10252	44.9
209.11845	24.3
211.13358	97.8
212.13681	65.7
235.08199	18.5
269.19153	14.5
277.21631	100.0
278.22009	44.5
279.22736	19.5
286.07861	11.6
289.18002	42.8
307.19037	22.5
379.12363	19.2
392.72824	12.0
397.13644	89.9
398.13959	28.5
399.14096	27.0
415.14587	23.1
518.08881	12.5
536.44104	16.0
946.53021	22.0
947.53802	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	964.479
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	8.9
71.01847	11.1
71.02184	9.2
71.76472	5.1
85.02976	7.9
85.65875	5.6
88.05105	5.6
89.02414	6.8
95.54208	5.6
97.02969	7.7
97.06459	5.2
101.02419	6.8
113.02509	6.5
115.25768	6.1
119.03480	5.3
121.02967	19.7
124.95874	4.8
165.12959	5.2
172.06935	5.5
196.91249	5.0
201.01859	5.7
209.04549	16.9
209.11833	100.0
210.12254	8.6
225.11543	5.7
227.12994	9.6
240.22647	6.3
243.35147	5.0
293.21173	10.9
294.21521	10.6
295.21805	7.6
300.99805	13.5
309.20752	12.9
397.13464	9.9
487.34097	28.3
488.34781	18.7
489.35730	8.2
752.97992	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	964.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	94.3
71.75041	27.2
89.02471	28.0
91.12882	19.3
101.02452	26.8
111.25524	17.2
112.13658	20.9
121.03017	22.6
121.19800	18.8
124.51633	18.2
125.02489	22.6
165.26131	20.5
207.10246	26.0
209.11847	100.0
224.64363	21.0
235.07983	21.0
237.98648	21.5
268.01306	24.5
293.21249	55.1
294.21448	38.9
300.99896	25.3
397.13422	30.2
408.73734	20.6
487.34317	76.2
617.90784	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99826	0.4
69.03457	1.4
69.56707	0.4
71.01385	17.1
72.99317	1.5
73.02956	2.4
74.72439	0.4
75.00880	0.5
78.95922	0.4
81.03474	1.0
83.01395	1.8
83.05079	0.4
85.02963	4.2
87.00887	4.2
89.02453	13.6
93.03474	0.4
95.01403	1.5
96.96029	1.0
97.02951	3.1
99.00886	1.5
101.02450	13.1
109.02993	0.7
109.06552	0.5
111.00892	0.4
111.04522	0.7
113.02463	7.6
119.03506	3.6
125.02467	6.0
131.03503	0.6
139.04070	0.6
143.03535	2.1
149.04529	0.4
159.73491	0.4
161.04565	3.7
162.97092	0.3
167.14423	0.5
171.10280	0.4
179.05650	3.3
183.13911	6.9
193.12344	1.4
199.06087	0.5
209.11902	2.2
211.13403	100.0
212.13750	4.3
217.07126	0.6
221.06635	0.9
225.11301	0.8
235.08214	5.3
253.09256	1.1
259.08231	0.6
259.32446	0.4
263.07660	0.6
275.20059	0.5
277.21722	59.0
278.22025	4.4
287.07666	1.4
293.24802	0.6
301.09421	0.5
305.08850	2.5
323.09808	1.9
379.12460	14.7
379.17355	0.8
380.12939	0.6
397.13513	44.1
398.13971	2.8
415.14569	8.3
591.26624	10.3
592.27148	1.2
608.81592	0.4
609.27789	7.5
610.27917	0.6
657.34949	3.9
675.36121	6.3
676.36334	1.0
751.71558	0.4
869.49451	2.7
870.49310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.505
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	2.8
71.01384	23.1
71.66145	1.2
72.99301	3.0
73.02942	3.1
75.00893	1.3
83.01387	3.5
83.05032	2.6
85.02962	6.7
87.00874	6.3
88.98810	4.6
89.02441	19.5
97.02950	5.6
99.00882	2.0
101.02457	15.9
109.06623	1.5
111.08179	6.5
113.02459	10.8
119.03513	5.2
125.02449	8.9
141.01862	1.2
143.03513	2.6
151.11273	1.3
161.04552	4.2
165.12843	2.3
169.12306	2.1
171.10292	3.8
179.05632	4.8
181.12257	1.4
183.13896	7.6
193.12355	2.4
197.11839	35.2
198.12151	3.3
199.13461	2.6
207.10251	1.8
209.11844	14.8
210.12059	1.4
211.13394	100.0
212.13710	7.4
221.06612	2.8
225.11356	1.4
227.12880	5.2
235.08228	4.6
252.34943	1.3
253.09302	2.7
263.20059	2.5
275.01944	1.3
291.19638	23.6
292.19980	2.3
293.21188	14.8
294.21600	1.8
300.99747	1.7
305.08887	2.2
309.20697	95.7
310.21097	9.2
379.12286	5.3
397.13501	50.2
398.13995	5.9
415.14545	17.9
416.14850	1.3
450.20038	1.2
487.34061	2.6
503.33572	2.3
577.25409	1.6
591.26514	4.9
607.26196	1.3
609.27826	13.6
610.28345	3.5
689.34003	6.4
690.34686	1.9
707.35449	7.1
708.34760	1.8
802.45892	1.2
883.48175	1.9
901.47571	5.3
902.48059	2.1
956.16296	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	958.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96512	71.0
94.88836	43.0
96.96038	45.5
151.10576	42.0
209.11971	65.9
277.26437	48.6
366.36786	50.6
366.41837	57.5
371.44067	49.9
455.35471	100.0
460.72015	46.9
613.80035	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.526
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32513	100.0
69.32940	53.3
80.96548	25.5
84.59244	13.4
97.68777	12.2
98.19862	37.1
126.06285	13.7
136.68054	14.7
140.71938	11.7
141.09708	13.5
153.10870	13.5
203.13521	12.6
209.11780	33.8
210.12387	18.5
243.88744	14.9
255.23253	19.5
437.21841	14.2
465.77637	13.2
708.26947	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	961.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01868	0.5
69.03465	1.3
70.33764	0.6
71.01389	15.3
72.99317	1.9
73.02962	2.8
78.95927	1.0
80.02697	1.4
81.03481	1.8
83.01396	1.2
83.05036	5.3
84.02190	0.7
85.02956	2.8
87.00880	3.8
87.84074	0.5
88.98817	1.4
89.02454	12.7
93.03445	0.6
95.01415	1.1
95.05051	1.1
97.02958	2.2
98.19807	1.1
99.00891	1.2
101.01788	0.6
101.02453	11.7
101.03081	1.1
109.02959	0.8
111.08183	1.2
113.02459	5.4
119.03514	2.9
125.02459	5.1
135.08144	0.8
139.04039	0.6
141.01862	0.8
143.03513	1.5
149.04605	0.6
161.04579	3.3
163.11314	4.0
165.12880	2.5
171.10303	2.2
179.05638	4.0
191.10799	1.0
195.13916	6.8
196.14363	0.8
197.11858	1.1
197.17734	0.6
209.11835	85.0
210.12204	5.3
211.13429	6.8
217.07135	0.5
221.06641	1.6
223.13371	5.1
227.12906	11.4
228.13347	1.4
231.21185	0.5
235.08255	5.0
253.09288	1.2
256.13116	1.0
275.20129	7.3
276.20410	0.7
287.07770	1.6
291.19568	1.8
293.21213	100.0
294.21588	9.8
305.08856	1.6
309.20703	1.3
317.21085	0.7
323.09818	0.8
340.05667	0.6
379.12460	4.1
397.13519	34.3
398.13904	2.7
415.14554	14.7
416.14948	1.1
487.34137	1.3
589.25433	1.4
607.25989	3.2
608.26196	0.7
673.35004	2.7
678.75110	0.6
691.35602	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	955.552
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.0
71.01380	16.1
72.99307	1.8
73.02959	3.7
78.29875	1.1
81.03492	2.1
83.01403	1.4
83.05021	4.4
85.02959	3.8
87.00882	4.8
88.98811	1.2
89.02448	13.8
95.01382	1.3
96.46696	1.2
97.02956	3.1
98.20619	3.8
101.02451	11.3
113.02460	7.0
116.92874	6.1
119.03525	3.6
125.02486	6.7
138.89055	1.2
143.03526	3.2
161.04567	3.7
163.11263	3.3
165.12926	1.7
179.05611	3.4
209.11844	100.0
210.12187	3.7
227.12877	13.3
232.77754	1.2
235.08217	4.8
240.85075	1.1
255.23296	53.9
256.23727	2.9
287.07751	2.9
305.08990	2.2
323.09760	1.8
357.36169	1.3
379.12463	16.8
397.13541	42.9
398.14124	2.8
415.14557	6.1
502.34207	1.3
589.25507	5.7
607.25836	3.0
635.36285	4.5
644.68781	1.2
653.37708	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	953.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62035	7.9
71.01384	13.2
71.52679	1.2
72.99333	1.9
73.02937	2.5
75.93533	1.2
81.03451	1.9
83.01396	1.2
83.05017	5.6
84.02174	1.4
85.02967	3.3
87.00873	3.5
89.02454	13.7
96.95975	1.1
97.02943	3.1
98.19939	2.2
98.33961	1.1
101.02462	11.3
102.48063	1.3
111.00891	1.1
111.08173	3.6
113.02476	6.0
116.92876	14.5
119.03502	5.9
125.02445	5.1
143.03539	3.2
161.04559	4.4
163.11252	3.3
165.12842	2.8
171.10278	2.5
179.05690	6.9
197.11818	21.9
198.12280	2.0
209.11832	98.9
210.12239	7.8
211.13333	3.3
221.06717	3.0
227.12888	29.0
235.08237	4.4
235.68274	1.1
285.04178	1.8
287.07684	1.7
291.19611	19.4
292.20035	2.0
300.99747	1.3
305.08597	3.0
309.20715	100.0
310.21045	9.8
323.09833	3.0
353.54703	1.2
357.25690	1.2
379.12509	7.5
397.13531	57.0
398.13892	5.9
415.14587	17.9
447.31146	5.7
448.31870	2.5
501.32254	2.2
503.33664	2.0
504.34122	3.3
505.35510	1.5
589.24762	4.1
607.26147	10.2
608.26288	1.8
650.74982	1.3
689.34033	9.5
707.35144	11.3
708.35535	2.1
897.76843	1.4
899.47174	6.2
900.48083	2.5
953.45563	60.8
954.45990	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	952.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49606	32.4
71.72348	55.1
88.98798	83.6
89.02493	51.7
97.45060	37.0
98.20713	33.3
101.02452	43.6
105.94186	31.0
108.51085	34.5
126.88429	37.9
136.77831	34.2
152.77519	36.6
158.50409	34.3
166.37128	33.3
209.11745	100.0
210.12093	62.9
253.83734	35.4
255.23196	40.1
313.20956	38.2
343.97476	35.4
397.13425	80.0
510.26563	43.8
745.57275	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85182	3.5
69.53510	5.3
69.53916	20.4
71.01415	7.9
89.02436	6.8
96.96012	6.1
98.19862	7.0
101.02444	3.5
113.02484	6.1
189.03967	3.8
209.11859	33.1
210.12144	10.0
227.12926	5.5
235.08356	4.3
237.23787	3.1
277.21756	11.6
278.22070	5.5
351.11234	3.5
397.13434	6.6
471.34802	100.0
472.35107	67.4
473.35434	21.8
474.35422	11.7
475.34634	12.5
476.34616	9.2
551.92712	3.4
814.49377	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	948.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01405	40.5
71.03432	22.2
73.02924	12.1
75.39396	8.4
89.02453	24.1
101.02470	22.1
113.02429	9.6
125.02451	13.5
150.78487	8.1
184.02911	7.9
185.11746	7.9
189.46568	7.7
209.11835	100.0
210.12102	43.5
211.12299	18.5
227.12857	10.9
228.13268	8.5
235.08081	9.2
255.23372	9.3
277.21744	39.1
278.22006	27.8
280.35229	8.2
291.19620	10.4
293.21307	10.7
309.20581	7.3
379.12854	8.2
397.13586	45.4
398.13733	31.7
399.13971	21.5
400.14359	9.7
415.14691	12.3
489.42673	9.3
711.95953	9.0
816.61267	8.8
827.85895	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	949.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.9
68.99825	1.7
69.03462	3.7
71.01383	100.0
71.05016	1.0
71.66479	1.2
72.01723	2.2
72.99315	5.4
73.02950	5.7
75.00864	1.9
77.87404	0.7
78.95922	1.3
81.03467	2.2
82.50251	0.8
83.01383	4.6
83.05044	3.3
85.02954	7.0
85.06573	1.1
87.00881	23.4
89.02447	19.7
93.03463	1.0
95.01408	2.6
95.05045	3.0
96.95995	1.4
97.02966	8.9
97.06604	4.6
97.07121	0.7
99.00903	3.6
101.02455	17.5
107.05018	1.2
108.02228	1.0
109.03011	1.0
109.06596	8.3
110.03764	2.0
111.00887	1.0
111.04520	4.2
111.08156	2.0
113.02454	10.8
116.92840	1.0
119.03517	5.2
119.08629	0.8
123.00918	1.3
123.04495	1.9
123.08133	1.9
125.02466	5.7
125.09733	8.1
127.07642	0.9
127.11236	1.4
131.03499	1.0
135.08160	1.9
137.06152	0.9
137.09738	2.5
139.04005	1.2
139.07663	0.7
139.11310	0.9
141.12851	0.8
142.02689	1.1
143.03496	2.5
149.09779	1.2
151.11273	2.0
155.10814	1.6
161.04585	3.9
161.09746	3.7
163.11288	7.2
164.11636	1.0
165.12848	3.1
167.10741	1.0
169.12273	1.6
171.10286	22.9
172.10631	1.6
177.09227	1.4
179.05609	4.1
179.10788	5.1
181.12312	4.3
183.13876	1.2
185.11871	4.5
187.09772	2.6
189.09273	0.9
191.14461	3.1
197.11844	6.0
199.09782	2.3
199.13423	2.0
201.11317	12.0
202.11610	0.9
205.08755	8.7
207.10278	18.8
208.10793	1.4
209.11839	10.1
211.13463	3.2
213.11272	2.3
215.12746	1.7
221.06671	2.7
221.11942	1.0
223.09758	20.1
223.11792	1.4
223.13278	1.0
224.10124	1.1
225.11293	17.6
227.12866	3.9
235.08273	4.1
237.11331	1.2
239.12859	1.1
241.10815	2.4
243.12314	1.7
245.19153	4.5
253.09254	1.4
263.19952	1.0
275.01868	1.1
289.18063	12.5
290.18475	1.4
291.19662	16.4
292.20047	1.5
300.99844	1.2
305.08734	1.5
307.19107	11.8
309.20740	19.3
310.21017	2.7
331.19199	1.0
379.12408	1.9
397.08832	1.6
397.13501	15.2
398.13943	2.3
399.29120	2.9
415.14609	6.4
416.14896	1.2
461.28986	10.7
462.29184	1.1
463.30554	1.6
487.34189	11.3
488.34393	2.4
521.39447	0.9
603.22870	1.1
607.14709	0.8
607.26270	1.0
621.23950	1.2
623.25604	3.1
653.35724	1.0
891.44867	0.9
913.44574	2.3
914.44708	1.3
931.45276	3.3
949.47247	3.3
950.47815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01400	35.4
72.01739	4.3
72.99331	5.8
73.02936	5.0
79.95742	5.6
80.96503	5.8
83.01431	5.9
83.05035	9.7
85.02955	8.8
87.00891	9.3
88.98829	5.7
89.02434	22.5
94.98113	6.9
97.02985	8.4
98.20638	11.3
98.99638	4.1
99.92581	4.1
101.02471	25.9
102.02802	5.1
109.06610	16.3
110.06916	6.5
113.02418	19.3
116.92891	46.8
119.03519	8.0
125.02490	10.9
135.08209	6.1
143.03523	4.3
148.94676	3.6
161.04527	3.7
163.11305	16.1
164.11642	5.6
174.54604	4.2
179.05693	6.3
197.11842	5.0
199.13495	3.7
200.13832	4.2
207.10323	41.0
208.10617	17.1
209.11874	100.0
210.12207	29.7
225.11272	17.5
226.11626	7.1
227.12842	15.9
228.13266	8.1
235.08246	7.8
253.09215	4.2
277.21725	69.9
278.22064	54.4
279.22983	9.0
280.22757	3.8
305.08777	4.6
379.12592	11.1
380.12750	4.8
397.13483	50.7
398.13770	24.3
399.14151	6.3
415.14615	10.6
416.14871	7.5
680.93457	4.9
886.48566	38.3
887.47980	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	946.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14544	35.8
71.01395	54.5
72.99316	13.0
74.32874	8.4
75.00877	17.9
80.23499	9.6
80.96503	10.1
83.05017	8.5
85.02968	13.5
85.95374	9.0
88.98820	12.3
89.02457	27.0
97.02949	13.0
101.02464	27.1
109.06617	27.2
113.02517	10.1
116.00501	8.1
116.51283	8.3
116.92879	100.0
125.02442	11.5
130.17303	9.2
163.11401	15.8
179.05606	9.2
197.11807	16.5
207.10277	54.7
208.10651	34.7
209.11957	60.3
210.12085	16.4
211.13289	15.7
221.06766	9.9
225.11320	31.0
227.12816	18.4
277.21667	72.9
278.22211	42.6
279.22815	14.3
351.33282	9.9
379.12375	14.3
397.13699	72.0
398.13818	18.7
399.14066	21.6
417.14899	12.0
886.48492	57.4
887.48999	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	945.6347
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	0.8
71.05014	0.1
71.54653	0.2
72.99316	0.1
73.02956	0.2
78.95912	0.8
83.05022	0.1
85.02943	0.2
85.06569	0.2
87.00864	0.1
88.98813	0.2
89.02442	0.7
96.96962	0.1
101.02464	0.6
113.02462	0.4
119.03482	0.1
125.02439	0.2
152.99620	1.3
158.46242	0.1
161.04495	0.2
163.11293	0.1
175.08800	0.1
179.05711	0.1
179.14397	0.1
192.33296	0.1
199.13589	0.1
200.00667	0.1
209.11871	0.4
211.13441	0.1
227.12848	0.3
233.19170	0.2
233.22717	0.1
235.08188	0.7
253.09282	4.1
254.09550	0.2
277.21707	23.2
278.22046	1.9
289.21750	0.3
299.24045	0.1
302.68039	0.1
313.21677	0.2
315.22958	0.1
315.26709	0.1
317.39273	0.1
341.24820	2.8
342.25238	0.3
351.26828	0.3
353.24786	0.2
353.28683	0.2
355.26550	0.2
357.27963	2.3
358.28448	0.2
369.27975	0.7
371.29544	12.7
372.29849	1.5
387.32938	0.5
397.13553	0.3
397.27597	0.9
415.28531	3.0
416.28915	0.4
431.31647	100.0
432.31989	12.8
469.33420	0.1
471.35065	0.2
472.34726	0.1
513.30426	0.7
514.30652	0.1
687.55328	0.1
724.48328	0.1
885.48676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	0.4
71.01383	14.1
71.51237	0.8
72.01707	0.4
72.99330	1.1
73.02953	2.3
75.00888	0.6
80.02683	0.9
81.03474	1.3
83.01405	2.0
83.05034	4.4
84.02165	0.7
85.02955	3.7
86.50230	0.4
87.00885	3.5
88.98785	0.4
89.02453	12.1
90.35260	0.4
95.01414	1.2
95.05044	0.6
97.02959	2.6
99.00892	0.7
101.02451	12.0
111.00921	0.4
111.04575	0.5
113.02464	5.6
119.03539	3.3
123.04494	0.4
125.02461	5.4
125.06110	0.5
131.03473	0.7
135.08203	0.4
139.04030	0.6
139.48964	0.3
141.01949	0.7
143.03542	1.7
149.78802	0.5
159.67261	0.4
161.04541	3.5
163.11299	4.3
165.12868	2.2
179.05611	3.8
181.12437	1.0
191.10823	0.7
209.11839	100.0
210.12158	5.5
217.07132	0.5
221.06679	1.4
227.12885	13.1
228.13239	0.7
235.08235	4.7
253.09293	0.8
259.08185	0.9
277.21725	51.0
278.22067	4.2
287.07700	2.0
291.23254	0.6
305.08878	2.2
323.09897	1.1
379.12527	10.5
380.12878	0.9
397.13531	43.7
398.13751	3.5
415.14597	9.1
416.14981	0.7
496.20538	0.4
589.24921	1.6
607.26147	2.1
657.35083	1.0
675.36572	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	945.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	0.9
71.01388	13.3
71.42596	0.6
72.99327	1.1
73.02959	2.0
73.47919	0.3
80.02689	0.8
81.03474	2.3
81.99033	0.3
83.01395	1.6
83.05035	5.9
84.02203	0.7
85.02959	2.8
85.69095	0.3
87.00881	2.9
89.02456	11.5
91.04036	0.3
93.03460	0.4
95.01405	1.1
95.05035	0.8
97.02965	2.2
99.00894	0.6
101.02455	10.7
113.02470	6.2
115.04041	0.4
119.03516	2.7
125.02464	4.8
125.06084	0.6
126.78818	0.3
131.03503	0.5
133.05083	0.4
135.08139	0.6
142.68333	0.3
143.03529	2.1
161.04581	3.2
163.11299	3.3
165.12866	2.9
167.03413	0.4
179.05626	3.6
181.12383	0.6
191.10806	1.2
199.06133	0.7
209.11841	100.0
210.12170	7.0
217.07138	0.8
221.06636	1.3
227.12898	11.3
228.13170	0.7
235.08238	4.6
245.06784	0.4
251.12930	0.6
253.09251	0.8
259.08148	0.5
277.21725	42.4
277.39014	0.4
278.22073	4.4
287.07608	1.5
305.08759	1.6
323.09689	1.4
379.12494	8.2
380.12775	0.5
381.69495	0.3
397.13538	34.5
398.13818	3.1
415.14594	7.0
416.15048	0.5
442.67746	0.3
448.15430	0.4
471.27795	0.6
471.34796	17.1
472.35159	18.6
473.35568	8.9
474.35757	0.4
497.19800	0.4
589.25018	2.6
590.25214	0.4
592.82495	0.3
607.25928	3.9
608.26398	0.6
657.34821	0.4
669.92725	0.3
675.36163	1.6
857.30280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	3.1
71.01384	20.2
71.05029	2.1
71.67575	1.9
72.99293	2.9
73.02939	3.9
78.04389	1.3
81.03432	1.5
83.01396	2.2
85.02950	6.7
87.00893	6.7
88.98788	2.6
89.02451	13.4
95.01409	2.5
96.95977	1.6
97.02972	14.4
97.06651	2.3
99.00886	22.1
101.02458	15.7
104.01811	1.4
109.06628	8.7
113.02448	8.6
116.92848	2.3
119.03474	1.7
125.02460	10.1
125.09758	7.8
135.08174	1.7
136.05280	1.6
141.01997	1.5
142.02687	4.2
143.03522	2.6
161.04567	2.2
163.11299	13.6
179.05579	1.6
179.10847	1.4
181.12357	18.8
182.12701	1.5
199.13428	1.6
207.10266	71.4
208.10583	4.0
209.11736	3.6
210.12146	1.8
223.13480	2.1
225.11314	91.3
226.11635	5.9
235.08148	4.4
243.12366	35.6
244.12643	1.8
277.21713	55.5
278.22000	5.2
287.07495	1.5
317.16104	3.1
352.89142	1.6
379.12485	2.5
397.13416	15.7
415.14523	3.8
447.52872	1.4
461.20221	1.7
469.33591	2.0
502.46317	1.5
605.24506	28.3
606.24841	4.1
623.25745	25.3
624.25916	4.9
657.36017	1.6
697.50818	1.5
883.47211	100.0
884.47540	31.6
961.14551	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	943.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.7
69.56413	1.9
69.56848	1.7
71.01385	23.2
72.01715	0.4
72.99332	2.5
73.02955	4.1
75.00883	0.6
80.02693	1.3
81.03455	3.3
83.01404	2.9
83.05029	2.7
84.02168	0.5
85.02952	6.7
85.48999	0.4
86.03286	0.4
87.00883	5.2
88.22930	0.4
88.98807	0.5
89.02454	15.3
93.03446	0.8
95.01393	2.6
95.05049	1.1
97.02958	10.5
97.03548	0.7
97.06617	0.5
98.03265	0.4
98.20565	0.7
99.00897	3.5
101.02457	17.0
102.02814	0.4
106.04256	0.7
107.05050	1.4
109.02969	0.7
109.06607	37.4
110.03741	1.9
110.06949	1.2
111.00861	0.8
111.04533	1.2
113.02463	10.2
119.03518	3.9
121.06590	2.4
123.04536	1.1
123.08131	0.5
125.02464	6.9
125.09737	0.9
131.03519	1.2
134.05289	0.4
135.08191	4.6
136.05347	1.9
139.04054	0.6
141.01932	2.0
142.02710	2.5
143.03558	2.8
152.36952	0.4
161.04565	3.7
161.09718	1.8
163.11304	20.9
164.11592	1.2
165.09259	0.5
179.05640	5.6
179.10820	0.4
181.12349	4.9
189.09178	2.8
199.06186	0.5
207.10272	100.0
208.10634	6.9
209.11832	4.1
210.12007	0.4
211.13260	0.5
217.07152	0.9
221.06676	2.8
225.11324	46.5
226.11632	2.8
235.08205	5.2
243.12437	1.9
249.11269	0.6
253.09236	1.4
256.17612	0.5
259.08188	0.7
267.12680	0.4
277.21722	59.0
278.22086	5.3
281.14001	1.3
287.07755	2.0
299.15002	1.8
305.08746	2.3
321.08286	0.5
323.09821	1.7
356.78485	0.4
379.12375	8.1
380.12692	0.6
397.13528	44.7
398.13773	3.8
415.14590	14.3
416.14734	1.0
441.33905	0.8
442.33511	0.5
443.19305	0.9
461.20233	0.6
525.69836	0.4
587.23444	2.6
605.14539	0.5
605.24512	10.2
606.24518	1.6
623.25665	8.2
624.26196	1.6
657.35449	0.7
675.36609	2.1
676.36713	0.5
772.49957	0.5
865.46411	2.8
866.46832	1.0
883.47260	60.3
884.47510	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	943.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	2.3
69.20416	0.4
71.01383	27.4
71.65327	0.7
72.99306	2.8
73.02948	4.7
75.00881	0.5
80.02690	1.2
81.03442	3.3
83.01389	2.5
83.05032	3.7
84.02210	0.6
85.02962	6.1
87.00882	5.9
89.02449	18.9
92.52003	0.5
93.03473	1.1
95.01407	2.3
95.05042	0.6
96.16676	0.4
97.02961	13.2
97.06585	0.9
99.00893	3.6
99.04595	0.5
101.01782	1.0
101.02453	20.3
106.04227	0.5
107.05048	1.5
109.02919	1.0
109.06602	34.6
110.03760	1.5
110.06941	0.9
111.00896	1.1
111.04535	1.2
113.02458	11.2
119.03520	4.6
121.02972	0.6
121.06645	2.4
123.04561	0.8
123.08154	0.7
125.02474	7.8
125.09671	0.5
128.24570	0.5
130.93321	0.6
131.03522	1.1
135.08202	4.4
136.05328	2.2
139.04021	0.7
141.01964	1.3
142.02733	2.3
143.03516	3.0
145.10306	0.7
149.04532	0.7
161.04588	4.5
161.09720	2.0
163.11301	20.3
164.11613	0.9
165.09076	0.5
179.05621	5.2
179.10760	0.9
181.12347	4.9
182.12840	0.4
189.09128	2.4
191.10661	0.5
197.11906	0.7
207.10266	100.0
208.10608	7.6
209.11852	3.6
217.07207	1.3
221.06665	2.2
225.11310	36.6
226.11711	3.1
231.00790	0.4
235.08203	7.0
243.12291	1.6
253.09235	1.4
255.23116	0.6
259.20630	0.5
263.07565	0.5
277.21707	75.6
278.22076	8.2
281.13928	1.1
287.07697	2.0
299.14981	1.5
305.08786	2.1
323.09845	1.9
379.12476	9.0
380.12750	0.7
397.13504	58.1
398.13806	5.7
415.14545	15.5
416.14969	1.3
441.34067	0.6
466.05356	0.5
504.69907	0.5
533.38080	0.5
535.74933	0.5
587.23248	2.7
588.24365	0.6
605.24445	8.8
606.24744	0.7
623.25665	3.9
624.25159	0.8
642.70160	0.6
657.34967	1.5
675.36218	4.1
676.36298	0.8
703.41235	0.5
865.46667	2.8
866.46387	0.8
883.47229	67.2
884.47479	22.4
884.64954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01419	9.8
71.23414	6.2
71.72400	11.2
79.63200	6.8
80.96520	17.1
96.96000	12.7
99.92594	7.4
101.77069	5.6
106.78051	5.9
116.92889	100.0
117.92875	16.8
164.20529	6.1
178.04463	5.6
185.55078	5.8
207.10278	13.4
209.11824	8.0
225.11278	11.4
250.19612	6.5
255.23416	15.4
344.57858	6.1
397.13739	10.1
471.35040	8.4
705.57214	7.0
850.95898	7.1
861.48834	7.7
882.55011	10.0
943.46576	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	940.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37747	12.5
69.53190	100.0
71.01395	18.3
78.91889	36.8
87.00953	14.3
90.60162	10.7
97.54223	12.8
116.92867	25.0
455.35724	24.9
571.85266	13.6
704.48621	13.7
940.44092	15.0
953.24976	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	942.492
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16088	2.7
67.07588	2.3
69.03436	6.0
71.01385	39.2
71.62717	2.9
80.96507	6.0
83.01393	3.2
85.02948	9.7
87.00905	9.2
89.02455	24.9
97.02946	5.1
101.02462	21.8
102.02775	3.3
109.06623	4.3
109.97471	2.5
113.02463	14.8
116.92924	4.5
119.03509	7.6
125.02456	7.9
128.40671	2.7
136.07069	3.2
147.48758	2.9
155.26025	2.8
161.04524	8.0
167.10684	4.5
179.05592	8.2
179.14389	6.5
195.13875	10.7
196.14273	6.1
205.12320	10.7
207.10219	12.4
223.13393	100.0
224.13759	35.4
225.11429	3.1
229.95509	3.4
235.08221	6.8
255.23260	11.9
277.21725	57.1
278.22064	30.3
379.12457	10.7
397.13544	52.8
398.13943	22.8
415.14496	11.3
416.14877	4.1
437.77960	4.4
441.44571	3.1
560.10638	3.4
603.26434	9.2
604.27179	18.8
605.26044	3.9
621.27600	12.4
622.28430	15.7
623.28015	3.5
861.48236	7.0
882.49408	8.8
943.45972	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	939.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	0.3
67.01903	0.2
68.99835	0.2
69.48055	0.2
69.48469	1.0
71.01388	5.3
72.99313	0.6
73.02938	0.3
75.00880	1.6
83.01390	0.5
85.02962	7.0
86.03297	0.2
86.53048	0.1
87.00887	1.3
89.02444	0.4
93.03503	0.2
95.01395	2.0
99.00896	2.7
101.02443	0.1
103.00392	1.4
107.01404	0.8
108.02208	0.4
109.02930	0.1
111.00916	0.2
113.02468	11.6
114.02796	0.2
115.00401	0.6
117.01970	0.6
124.01671	0.4
125.02475	0.1
129.01976	0.4
135.00902	0.4
139.00391	0.2
148.01672	0.8
149.99594	0.2
150.93787	0.2
151.00397	2.3
152.01186	0.2
153.01944	0.2
157.01529	0.2
163.00381	1.0
164.01166	0.5
169.01453	0.3
172.05183	0.1
174.03297	0.2
175.02509	5.6
179.54826	0.1
182.03661	0.1
192.00780	0.2
199.03983	0.3
200.04767	0.4
202.02762	0.3
211.04018	0.3
215.03461	0.3
216.04239	0.6
219.06693	0.3
220.32268	0.1
226.02692	0.6
227.03493	6.2
228.03961	0.7
229.05157	0.1
241.04805	0.2
243.02977	6.0
244.03726	1.5
254.02193	1.3
255.02975	18.1
256.03522	2.0
257.04504	0.2
259.06097	0.9
271.02469	21.3
272.03134	4.4
273.03528	0.3
284.03268	6.9
285.03958	2.7
287.05582	1.5
298.98987	0.1
299.01920	0.6
300.02756	34.7
301.03110	1.9
315.05090	100.0
316.05457	6.5
327.05087	0.1
447.09418	12.8
448.09787	1.1
491.08307	33.4
492.08612	3.2
637.28558	0.2
639.91125	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	937.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	1.8
71.01387	59.3
72.99315	2.1
73.02942	4.2
78.95914	2.3
80.02681	1.5
81.03459	3.6
83.01396	1.8
83.05036	3.8
85.02956	8.7
87.00898	7.9
89.02450	24.8
95.01408	1.6
95.05043	1.8
97.02965	10.3
99.00894	6.7
101.02452	23.2
109.06602	34.9
110.03732	1.7
113.02458	15.2
114.59035	1.3
116.92905	1.9
119.03516	6.2
121.02932	1.7
121.06639	3.0
124.01638	1.2
125.02466	9.2
125.09711	1.6
131.03487	1.6
135.08176	4.0
141.01933	1.4
141.09622	1.3
142.02718	2.4
143.03514	4.5
161.04567	4.9
161.09828	1.5
163.11313	19.0
171.10254	5.5
179.05659	10.7
179.10812	1.6
180.54166	1.3
181.12381	5.4
189.09224	2.3
196.66142	1.4
199.09726	2.5
201.11252	3.4
207.10278	100.0
208.10567	5.7
209.11827	16.0
221.06676	4.7
225.11331	63.0
225.13197	1.0
226.11633	4.4
235.08191	8.5
243.12367	4.8
253.09305	2.6
277.21719	68.3
278.21985	6.6
287.07700	2.3
300.99890	1.6
305.08707	2.3
311.16840	1.6
379.12457	5.1
383.84641	1.4
397.13550	52.5
398.13708	4.7
415.14502	19.3
605.24615	7.4
623.25671	19.6
624.25696	3.1
865.45850	2.1
883.47217	44.1
884.47650	22.0
885.48236	3.0
943.97797	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	937.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	2.9
70.14589	1.2
71.01385	74.2
71.72306	2.0
71.72732	1.4
72.99324	4.0
73.02947	5.1
75.00887	2.7
78.95909	1.4
80.02717	1.2
81.03471	3.6
83.01402	2.7
83.05038	3.3
85.02969	7.8
87.00895	9.6
89.02455	32.7
93.03499	2.2
95.01398	3.4
95.05059	1.7
97.02974	11.2
97.06580	1.2
99.00892	5.7
101.02455	29.1
109.06601	37.1
113.02457	14.7
116.92883	8.5
118.08794	1.3
119.03496	9.6
121.02973	1.2
121.06649	1.6
125.02472	8.7
125.09760	2.5
131.03519	1.7
135.08174	3.7
139.04018	1.4
141.01958	2.5
142.02759	2.3
143.03516	4.2
161.04552	7.5
163.11308	21.8
171.10289	4.9
179.05632	9.0
181.12386	6.4
185.02434	1.4
189.09325	2.6
199.09851	2.2
201.11322	2.4
205.69905	1.3
207.10272	100.0
208.10655	7.0
209.11823	12.8
217.07233	1.8
221.06697	3.1
225.11324	58.6
226.11548	3.1
227.13022	2.7
235.08266	8.8
243.12361	2.3
253.09300	2.6
277.21719	98.5
278.08652	1.3
278.22025	10.2
287.07718	2.8
300.99957	1.4
305.08731	3.5
323.09744	2.7
379.12729	6.1
380.12903	1.4
397.13519	89.0
398.13968	7.3
410.68716	1.5
415.14542	23.4
467.31421	3.0
469.33057	7.1
470.33542	2.5
559.35870	1.9
605.24719	8.3
623.25616	10.5
669.77875	1.5
679.14941	1.5
865.46790	1.8
883.47192	46.9
884.47778	20.2
885.48193	2.9
937.48431	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	935.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
68.09296	0.2
68.99819	0.2
69.03465	2.3
69.60540	1.3
69.60950	0.3
71.01389	11.9
71.05015	0.3
72.01711	0.3
72.99304	1.0
73.02952	1.8
79.04788	0.2
80.02682	1.0
81.03476	1.1
81.29659	0.2
83.01397	1.7
83.05034	3.8
84.02171	0.9
85.02431	0.3
85.02956	8.4
87.00880	2.4
89.02457	8.7
93.03481	0.2
95.01395	1.1
95.05032	0.9
96.96054	0.5
97.02960	2.7
97.06604	2.1
99.00890	0.5
99.04549	0.4
101.02456	8.9
102.02841	0.2
103.04008	0.2
107.05049	0.3
108.02126	0.2
109.02966	0.4
109.06622	0.3
111.00927	0.3
111.04524	0.4
111.08219	0.2
113.02473	4.0
116.92887	0.5
119.03510	2.3
119.08668	0.4
121.02953	0.5
121.06634	0.2
123.00909	0.4
123.08176	0.3
125.02464	3.7
125.06093	0.6
125.09722	0.9
127.11311	1.3
131.03529	0.5
135.08173	0.8
137.02473	0.4
137.09752	2.2
139.04057	0.4
139.07657	0.2
141.01988	0.4
143.03525	1.7
147.11823	0.3
149.02484	0.2
149.04517	0.2
150.03168	0.2
151.04068	0.3
153.09178	0.2
155.10785	0.6
155.14478	0.3
161.04585	2.2
163.11304	3.2
164.11629	0.3
165.12854	2.3
167.03412	0.3
169.01398	0.3
171.10286	23.3
172.10654	1.2
177.12845	0.5
179.05627	3.2
181.12405	0.6
183.13933	2.1
185.11839	0.8
191.10820	0.7
193.12318	0.8
195.13829	0.2
197.11913	0.3
199.13377	0.4
201.11287	1.3
203.10822	0.3
209.11841	56.8
210.12166	3.8
211.13414	9.7
212.13745	0.9
213.11400	0.2
217.07086	0.2
221.06833	1.1
221.11813	2.3
223.13449	0.2
227.12915	6.7
228.13243	0.6
229.14455	7.7
230.14714	0.4
235.08247	3.2
239.12894	1.3
245.06670	0.4
247.20581	0.4
251.12843	0.4
253.09254	1.0
263.07733	0.3
287.07684	0.9
291.19653	3.4
292.19913	0.3
305.08859	1.2
309.20721	8.9
310.21024	0.8
323.09711	0.8
327.21765	100.0
328.22098	8.8
351.21512	0.3
379.12726	0.5
397.13528	30.7
398.13818	2.6
415.14587	15.0
416.14996	1.2
519.33124	1.9
537.34406	0.8
545.29828	0.3
607.26068	3.5
608.26263	0.6
625.27698	0.3
689.34802	0.2
707.35187	5.6
707.47662	0.4
708.35364	0.9
725.36163	4.5
725.48108	0.3
726.36829	0.9
917.48798	0.5
935.49109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.51
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.3
69.65062	1.4
71.01367	0.8
83.05022	0.6
85.02979	0.2
87.00861	0.2
89.02449	0.4
93.03461	0.2
95.01418	0.2
95.05002	0.1
96.96001	0.9
97.06631	0.2
101.02444	0.3
109.06573	0.2
111.08156	1.2
113.02467	0.3
121.02970	0.9
125.02431	0.3
132.11644	0.1
163.04214	0.2
163.11337	0.3
165.12863	20.8
166.13214	1.2
169.01472	0.4
171.10249	0.5
175.86189	0.2
181.12308	0.2
183.13911	87.4
184.14244	5.2
191.10835	0.3
201.11314	0.2
207.10332	0.4
209.11841	12.9
210.12138	0.8
225.11365	0.5
227.12891	100.0
228.13214	6.7
235.08249	0.3
249.04172	0.2
253.09346	0.5
263.21017	0.2
274.01166	0.2
300.99924	0.3
313.07422	0.2
327.21774	0.3
343.73343	0.2
397.13599	0.4
401.08926	0.7
445.20840	0.7
446.20886	0.2
851.96057	0.2
933.45624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01896	0.8
69.03459	4.8
71.01386	60.9
71.05107	0.6
72.99324	3.1
73.02956	9.0
78.95908	0.9
80.02698	1.4
81.03467	5.0
83.01394	5.3
83.05025	7.3
84.02171	2.0
85.01163	0.7
85.01729	0.6
85.02962	12.6
85.03444	1.3
87.00885	11.4
87.04510	0.9
89.02455	31.8
93.03461	2.0
95.01398	4.8
95.05039	4.6
96.96013	2.8
97.02958	14.9
97.06604	4.8
99.00911	3.1
99.04527	2.0
101.02454	29.3
106.04223	0.7
107.05039	0.7
108.77518	0.6
109.02972	2.2
109.06614	7.5
110.03730	1.1
111.00868	1.7
111.04516	1.8
111.08185	4.7
113.02470	18.5
113.06065	0.7
119.03520	8.7
121.02969	1.0
121.06595	1.1
123.00941	0.9
123.04549	2.7
123.08189	2.2
125.01618	0.8
125.02478	10.6
125.06119	1.5
125.09732	9.7
127.11320	3.5
131.03506	1.6
135.08183	2.3
137.02419	0.7
137.09700	5.3
139.03966	1.0
139.07663	2.0
141.01982	2.1
141.12897	0.8
142.02750	0.9
143.03511	5.5
145.10262	1.2
149.04530	1.0
149.09717	1.1
149.52357	0.7
151.11296	1.6
155.03447	0.6
155.10785	3.0
161.04579	8.0
161.09715	2.0
163.09970	1.4
163.11295	14.0
164.11592	0.8
165.09213	2.5
165.12880	9.6
167.03452	0.7
167.10750	1.9
169.12331	1.6
171.10286	50.2
171.62959	0.6
172.10622	1.4
177.09381	0.7
179.05644	8.5
179.10786	1.5
179.14474	0.7
181.12376	5.3
183.10303	1.0
183.13928	3.5
185.04517	1.3
185.11855	8.7
189.09294	1.6
189.12660	0.7
191.10919	1.1
191.14429	2.8
193.12372	1.4
193.15994	0.8
197.11827	15.0
199.09779	1.1
199.13431	1.4
201.11337	35.5
202.11708	1.7
203.05624	0.7
206.74805	0.7
207.10275	25.7
208.10571	0.7
209.11842	79.0
210.12178	3.9
211.13403	7.3
215.12878	4.0
217.07092	1.0
221.06657	3.7
223.13339	1.6
225.11330	53.0
226.11674	3.5
227.12878	13.3
235.08258	9.4
243.12271	4.6
245.13905	1.0
245.19096	6.3
247.20914	3.2
251.12874	0.8
253.09244	4.4
263.07611	1.9
263.20178	2.5
271.16995	1.0
273.18570	2.1
287.07678	2.5
289.18112	20.5
291.19644	42.6
292.19989	4.0
292.30859	0.7
305.08719	3.0
307.19168	15.9
307.22427	1.3
308.19516	1.4
309.20718	100.0
310.21121	7.1
323.09995	1.7
333.21161	0.8
341.23212	1.4
351.21780	0.8
379.12378	4.6
397.13525	55.7
398.13910	3.0
415.14587	23.9
415.20303	0.9
416.14743	1.3
439.14426	4.0
457.15714	1.9
461.19772	0.7
463.30820	0.7
487.34546	4.3
487.40262	0.8
569.24841	1.8
605.24548	6.0
606.24713	0.9
607.26385	1.0
623.25671	8.1
641.26801	1.5
655.73145	0.8
689.34174	1.9
707.35242	2.9
822.66724	0.8
915.46564	10.4
916.47144	1.8
933.47308	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	932.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	32.0
71.48116	21.7
75.00813	9.0
85.02929	8.5
89.02438	23.0
89.63117	8.2
99.03020	8.1
101.02454	16.7
161.04495	10.7
183.13727	8.7
207.10257	9.0
209.11848	24.8
211.13365	100.0
212.13730	69.7
213.13858	17.3
225.11317	18.3
227.12868	9.1
277.21722	49.6
278.22083	43.9
279.22147	19.7
379.12280	11.5
381.12894	10.8
397.13394	39.2
398.13788	33.6
399.14297	16.3
439.53967	9.8
594.27826	11.4
698.11603	11.4
755.69043	10.2
770.56879	10.3
873.49042	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	933.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99830	1.7
69.03461	3.9
69.55769	11.0
71.01383	58.5
72.99308	5.7
73.02950	8.7
75.00889	2.6
78.95932	2.5
81.03471	1.8
83.01387	6.2
83.05033	7.1
84.02180	1.6
85.02950	13.6
87.00877	11.0
89.02450	29.6
95.01402	3.0
95.05039	2.7
96.96041	2.9
97.02966	9.5
97.06596	3.3
97.20921	1.3
99.00893	4.2
101.02455	36.7
101.03086	2.9
107.04990	1.6
109.02969	1.9
109.06584	2.3
111.00881	1.5
111.04532	2.3
111.08145	2.6
113.02456	16.6
116.92883	3.1
119.03526	11.8
121.40225	1.3
123.04535	2.2
123.08176	2.0
125.02473	11.3
125.09734	5.6
131.03499	2.5
137.09724	3.1
143.03522	4.2
143.10846	2.6
161.04543	7.7
161.09837	1.5
163.11279	6.0
165.12862	17.0
166.56712	1.2
168.69568	1.2
171.10281	13.8
179.05629	10.2
181.12361	2.2
183.13905	100.0
184.14241	5.5
185.11845	6.0
186.23564	1.6
191.10959	1.5
191.14310	2.3
193.12488	1.6
195.13931	2.8
197.11873	9.1
199.13374	2.4
201.11284	4.0
207.10233	8.0
209.11830	64.7
210.12141	4.8
211.13445	6.8
221.06651	6.4
221.11839	3.8
223.09755	3.0
223.13338	1.6
224.10062	1.8
225.11308	8.8
227.12891	30.6
228.13210	2.9
235.08214	10.5
239.12892	3.9
243.12253	2.2
245.19106	6.3
253.09244	4.6
263.07864	1.9
271.17212	1.5
275.20190	3.2
287.07742	2.2
289.18060	21.0
290.18207	1.7
291.19675	8.1
292.19812	1.9
293.21213	39.8
293.24326	2.6
294.21512	4.4
300.99823	3.3
301.72455	1.4
307.19174	22.6
308.19321	3.4
309.20660	15.7
310.21014	3.3
311.22183	2.2
325.23767	1.7
379.12448	3.2
397.13483	44.9
398.13913	4.5
415.14569	14.3
416.14801	1.8
431.31662	5.2
432.31955	1.9
501.32214	5.3
607.25824	9.7
608.26770	1.7
623.25568	1.9
625.27600	7.2
626.27411	2.3
670.77209	1.6
717.41742	1.5
799.37714	2.3
817.39130	8.7
818.38788	2.5
827.94543	1.7
847.39795	8.1
897.45264	2.6
915.46167	41.2
916.46936	13.5
933.47150	21.2
934.47095	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	931.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
68.23012	4.1
69.48418	40.6
71.01379	13.4
78.57714	3.7
89.02445	9.8
101.02431	8.6
110.21980	4.0
113.02470	6.6
148.99294	4.7
166.67534	4.2
179.05760	6.1
185.92508	4.4
207.17476	4.7
209.11824	100.0
210.12048	5.8
227.12935	26.9
235.08125	6.4
255.23254	43.3
256.23465	4.6
265.17862	5.7
266.18524	4.5
345.03586	4.1
379.12418	25.9
397.13635	45.2
415.14359	7.9
429.37335	8.3
430.37796	11.8
455.35309	79.2
456.35736	84.4
457.35687	24.6
473.36328	62.5
474.36703	90.3
475.37149	30.8
589.25299	10.6
607.26025	7.7
635.36481	13.3
653.37750	14.6
845.49310	11.8
931.50470	74.9
932.51788	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	5.9
71.01389	17.8
71.05020	1.8
71.25470	1.2
71.25812	1.0
72.99310	1.8
73.02946	3.2
75.00862	0.7
79.95773	0.7
81.03464	1.2
83.01392	3.0
83.05014	2.1
85.02959	4.9
87.00893	4.0
88.98817	1.4
89.02454	8.6
91.83321	0.6
95.01432	1.7
96.95998	0.8
97.02946	2.4
97.06608	1.7
99.00890	1.5
101.02458	10.3
109.06614	1.3
111.00883	3.4
111.08149	5.6
113.02470	4.8
115.00441	0.8
116.92833	1.2
119.03529	2.0
119.08730	0.8
121.02985	0.7
123.08199	2.4
125.02480	3.8
125.09756	3.6
135.08145	1.0
137.09694	1.1
143.03476	1.0
151.11322	3.7
153.12856	2.2
161.04539	2.1
161.09743	3.3
163.11287	1.3
165.01909	1.1
165.12848	1.8
169.12309	3.3
171.10263	4.9
175.02487	2.3
179.10796	6.8
183.13966	2.0
195.13957	1.2
197.11839	67.0
198.12180	4.3
199.13414	1.4
207.10281	2.2
209.11830	8.7
210.12180	1.0
211.13448	5.5
221.06697	2.0
223.09744	2.0
225.11345	2.1
227.12885	2.6
235.08220	1.7
241.10825	3.8
245.18993	0.7
253.09221	1.0
285.03790	0.8
289.18079	2.0
291.19611	4.9
305.17804	1.0
306.58356	0.8
307.19122	1.2
309.20712	5.5
397.13525	4.1
415.14630	1.7
469.31033	0.8
622.97266	0.8
813.43512	1.2
913.44733	1.2
931.45648	100.0
932.45905	30.7
932.65173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37182	1.1
67.01891	1.9
68.99809	4.3
69.03450	6.4
71.01385	93.0
71.05008	1.9
71.61674	1.4
72.01735	1.8
72.99315	7.8
73.02949	5.7
75.00887	1.2
80.02693	1.0
81.03461	3.3
83.01387	8.1
83.05031	6.9
85.02961	13.9
87.00877	12.4
89.02451	28.5
93.03453	2.0
95.01396	5.7
95.05046	3.4
96.53481	1.1
97.02968	19.4
97.06609	5.1
99.00877	3.7
101.02456	31.0
102.02806	1.2
106.04234	1.2
107.05026	1.7
108.02187	2.1
109.02963	3.6
109.06615	4.7
110.03753	5.8
111.00918	2.6
111.04528	27.2
111.08167	4.4
113.02457	16.9
119.03526	7.5
121.03014	1.9
121.06576	1.7
122.03764	1.8
123.00917	1.7
123.04565	5.3
123.08160	5.9
125.02460	12.6
125.06078	3.1
125.09760	12.9
127.04010	1.1
127.11296	3.8
129.01952	1.0
131.03535	1.4
133.06671	1.4
135.03011	1.6
135.08162	4.0
137.02351	1.6
137.09717	6.0
139.04054	1.2
139.07661	1.2
139.11313	1.4
141.01967	1.7
143.03511	5.7
149.06128	1.2
149.09726	1.5
151.07628	1.2
151.11304	6.1
153.04210	0.9
153.09251	5.1
155.10753	4.3
159.08109	1.3
161.04588	6.9
161.05847	1.4
161.09737	12.9
163.11307	6.4
165.09219	1.6
165.12857	8.3
167.10767	1.6
169.12427	1.6
171.10286	52.8
172.10602	1.7
174.88980	1.7
175.11226	1.0
177.09212	4.9
179.05612	7.9
179.10779	17.4
180.11215	1.3
181.12360	4.2
183.10341	3.3
183.13895	1.4
185.11818	5.7
187.09717	2.7
191.14458	1.4
193.12360	2.7
195.10287	3.5
197.11844	17.0
198.12146	1.1
199.06042	1.2
199.09776	2.4
201.11345	7.5
205.08710	17.7
206.09039	1.7
206.81468	1.1
207.10277	11.1
208.10565	1.7
209.11845	30.7
210.12151	2.6
211.13347	5.6
213.11353	10.5
221.06633	4.4
221.11798	2.9
223.09760	71.7
223.13167	1.9
224.10059	3.6
225.11317	15.0
226.11661	1.5
227.12904	7.0
235.08197	9.0
241.10860	6.9
243.12143	1.5
245.19023	2.7
247.20628	5.1
253.09212	4.4
259.08090	1.1
263.20026	1.1
269.88620	1.0
273.18640	1.0
287.07639	1.9
287.16470	1.1
289.18076	7.8
291.19656	43.1
292.19943	5.1
305.08725	1.4
305.17783	4.8
307.19189	8.4
309.20709	100.0
310.20996	9.4
323.18698	4.8
333.20792	1.3
379.12589	6.8
397.13519	54.2
398.13995	5.9
398.18314	1.1
415.14560	22.6
416.14941	1.8
487.34485	1.3
515.29950	1.1
551.23334	1.4
563.23401	1.2
567.22394	1.2
569.24420	4.0
603.22772	10.4
621.24097	10.1
622.24799	2.1
639.26373	1.3
689.33588	3.4
703.32642	1.1
707.35162	6.3
769.41425	1.2
859.42590	1.3
861.46112	1.3
887.43176	4.5
888.42767	1.3
895.43359	3.2
913.44574	30.0
914.44843	11.6
931.26898	1.4
931.45563	27.6
932.45538	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	931.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.7
71.01394	2.8
72.99301	0.5
73.02946	1.1
79.21581	0.3
83.01392	1.3
85.06608	0.7
87.50922	0.3
89.02460	1.2
93.03476	0.4
97.02973	0.5
98.20698	0.7
98.46265	0.3
99.04532	7.4
101.02467	4.3
107.01380	2.0
108.02196	1.4
109.02979	2.4
121.02959	1.4
123.00922	0.4
125.02473	5.8
135.00899	0.7
137.02448	1.0
139.04004	0.6
145.07735	1.6
148.01700	0.9
149.02458	0.5
151.00392	8.4
152.00853	0.6
153.01894	0.4
159.09293	0.6
160.06430	3.4
161.02509	0.6
161.04597	4.0
161.07228	14.9
161.13969	0.3
161.53679	0.4
162.07562	0.4
163.00377	1.7
164.01036	0.4
167.03464	0.5
169.01466	1.0
173.10858	0.6
175.08780	10.0
177.01949	2.1
178.99878	4.3
185.10895	0.5
187.03981	0.4
187.08778	2.4
189.02000	4.3
189.06706	31.1
190.07071	2.3
191.03496	0.4
192.00703	0.4
199.03983	0.5
201.05530	0.4
201.10330	2.7
203.03522	0.7
203.08281	14.5
203.11903	4.8
204.08580	0.8
211.03998	0.8
215.03513	0.6
216.00624	0.4
216.04216	0.4
217.01419	6.5
218.01770	0.6
219.02962	0.5
226.02736	1.4
227.03551	1.4
228.03993	0.4
229.05043	0.5
229.09813	8.2
231.03040	1.2
233.04512	0.4
243.02982	6.5
244.03470	0.6
245.04544	1.1
245.09270	0.3
254.02179	1.6
255.02968	19.4
256.03400	2.1
266.02325	0.4
271.02463	40.1
272.02814	4.4
273.03775	1.4
274.03342	0.4
277.11996	1.7
283.02484	0.9
287.14914	0.7
299.01944	1.0
300.02753	79.6
301.03445	42.0
301.07147	0.4
302.03745	5.0
303.03894	1.3
303.56113	0.3
304.04150	0.5
305.11420	21.4
306.11682	2.1
323.12482	68.1
324.12817	5.5
357.06213	3.2
358.06433	0.4
365.13562	12.1
366.13742	1.1
379.00128	0.3
390.57123	0.4
405.16583	1.9
421.11444	0.6
424.68832	0.3
449.20248	0.6
463.08795	100.0
464.09158	14.5
465.09308	3.4
466.09702	2.2
467.09793	13.4
467.16763	38.4
468.10187	1.6
468.17010	6.0
572.61517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.7259
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48299	3.9
71.20655	0.4
76.16842	0.4
89.02314	0.4
89.05537	0.4
98.19913	1.0
106.68468	0.4
111.71510	0.4
116.05732	0.4
191.14323	0.4
205.15865	0.9
207.17586	3.2
211.13139	1.2
248.96863	0.4
265.18066	7.3
266.18274	0.7
267.19635	2.2
429.37393	10.0
430.37827	1.6
455.35300	74.3
456.35651	17.2
456.42142	0.7
457.35934	2.0
472.34741	0.8
473.36374	100.0
474.36746	16.7
613.31976	0.5
930.52942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40887	36.4
69.41302	89.6
71.01389	38.3
80.59336	10.9
85.02970	13.9
88.77874	11.4
88.98829	26.3
89.02436	20.7
95.83521	12.0
96.59846	11.0
96.96068	15.2
101.02464	17.5
115.00402	11.9
120.30821	10.2
123.00892	16.8
125.02479	41.9
149.02484	14.3
150.03258	43.2
151.03941	13.2
165.01985	23.2
165.05591	26.8
166.02687	13.7
169.01404	25.2
195.06702	20.3
209.11838	100.0
210.12276	30.8
227.12874	16.1
253.09955	11.1
300.99942	18.3
417.92630	12.7
503.67807	12.4
930.40411	38.7
962.18652	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	929.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.1
71.01384	15.6
71.39158	0.8
72.99306	1.8
73.02953	2.4
75.00881	0.8
78.95912	0.8
80.47138	0.5
81.03465	0.7
83.01388	1.3
83.05050	0.6
85.02952	4.4
87.00890	4.9
89.02451	13.2
95.01392	1.8
97.02956	2.1
99.00916	0.7
101.02452	11.3
113.02469	7.1
119.03495	3.1
125.02478	6.3
127.04005	0.7
137.02461	0.6
139.04056	0.7
143.03516	2.0
149.04549	0.7
161.04575	2.6
167.14389	0.9
179.05669	3.8
181.12228	0.7
183.13908	7.6
193.12360	1.9
201.11357	0.5
211.13405	100.0
212.13771	6.9
216.39757	0.6
217.07103	0.9
235.08231	4.8
253.09215	0.7
259.08124	1.4
277.21716	58.1
278.22079	6.2
287.07739	1.5
294.08817	0.6
305.08813	2.1
323.09766	1.3
379.12512	10.3
380.12961	1.8
397.13504	42.2
398.13852	3.7
415.14603	8.1
416.15024	1.1
591.26477	6.8
592.26929	1.3
609.28003	5.8
610.28540	1.3
657.35309	2.2
675.36304	3.8
676.36945	1.0
869.48999	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	926.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10422	14.9
71.01410	30.7
89.02441	22.4
91.71474	12.3
98.20615	42.9
113.02435	12.2
115.13079	12.8
135.27689	10.9
154.16336	11.9
209.11914	100.0
210.12177	49.9
255.23305	54.8
256.23627	44.0
257.24219	14.0
271.06265	14.6
335.41171	14.0
379.12271	16.9
397.13626	26.6
399.13712	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	926.499
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01402	50.8
71.22165	11.0
83.05049	9.6
97.03019	11.9
98.19798	15.7
100.16766	9.9
101.02402	9.5
113.02445	10.4
116.29328	9.1
117.94595	8.4
146.52654	9.6
165.66734	9.7
200.69504	9.0
201.11359	9.8
207.10231	21.9
209.11804	100.0
210.12149	37.7
211.12332	12.8
225.11317	22.7
229.76878	12.0
235.13452	9.4
253.09171	10.7
255.23288	28.0
256.23706	21.8
266.39243	9.3
277.21628	13.2
300.66293	8.9
312.97110	10.2
397.13361	17.8
398.13431	12.1
497.59265	10.0
945.72449	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	927.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03475	0.4
71.01387	5.8
71.06976	0.8
72.99308	0.6
73.02941	1.2
78.30424	0.3
83.01368	0.8
85.02974	1.5
87.00891	0.9
89.02467	3.9
89.72162	0.3
95.01393	0.6
96.96026	0.9
97.02982	0.4
97.06584	0.5
99.00885	0.3
101.02454	5.8
111.08174	0.5
113.02466	2.2
115.00350	0.3
119.03541	1.1
123.00925	0.6
123.04550	0.5
125.02476	2.7
130.04330	0.3
133.05069	0.3
135.04584	0.3
137.02448	0.7
143.03497	0.4
146.03706	0.5
150.03203	1.5
151.00398	0.6
151.04004	0.7
161.04671	1.5
163.04034	0.3
163.11334	0.3
164.04764	0.3
165.01923	0.6
165.05580	1.3
165.11548	0.5
165.12860	7.5
166.02721	0.5
168.00728	0.3
169.01469	1.9
175.02441	0.3
177.01920	0.4
179.05688	0.5
179.07135	0.5
181.04948	0.5
181.12486	0.3
183.02979	0.3
183.13911	72.1
184.14268	4.6
195.06625	0.5
199.13379	1.0
209.11864	1.0
212.42867	0.3
214.88092	0.3
217.04976	0.3
225.14940	0.3
227.12885	6.7
235.08252	0.5
249.04018	0.5
253.09261	4.7
275.02060	0.4
281.40884	0.3
289.06870	0.3
300.02563	0.3
300.99829	1.0
301.03336	0.6
313.05621	0.5
326.07596	0.4
343.13992	0.7
344.14163	0.5
405.21399	4.8
463.21835	100.0
464.22168	11.3
464.28986	0.4
517.04272	0.3
637.84930	0.3
898.38409	0.4
927.29480	1.0
928.29291	0.4
940.24188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	19.9
71.69338	4.3
80.96515	5.9
82.01375	3.2
83.01414	5.4
83.05038	5.8
85.02965	6.6
87.00909	3.6
89.02460	13.9
94.21281	3.1
96.71543	3.2
97.02982	5.2
101.02460	19.4
102.02750	4.2
113.02473	7.8
116.92892	6.2
119.03495	3.6
125.02467	6.6
128.16954	3.5
163.11339	7.0
179.05539	5.1
207.10272	6.4
208.10574	3.7
209.11845	100.0
210.12184	35.8
226.11642	4.9
227.12857	12.9
235.08195	5.4
255.23289	57.2
256.23645	29.8
291.02277	3.8
379.12314	11.6
380.12769	6.8
397.13455	36.9
398.13672	16.9
399.14029	5.0
415.14926	8.8
525.11816	3.9
585.94226	4.2
590.25586	4.2
636.36255	4.7
654.37708	4.6
864.49933	16.3
925.42084	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	924.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
68.60333	16.6
71.01384	31.7
78.95953	21.8
80.96544	28.5
82.26555	15.3
87.00938	16.3
88.98824	100.0
89.02422	41.5
97.10118	14.7
102.28948	14.9
209.11826	74.6
210.12201	40.3
211.12512	21.0
227.12953	23.6
229.59422	19.7
235.67323	17.4
253.21774	30.1
255.23355	26.5
262.27597	15.1
397.13516	24.5
398.13528	21.5
433.73596	14.8
720.54584	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	926.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	65.2
71.65522	66.1
71.65908	52.6
85.29816	35.7
95.88484	37.6
116.92870	100.0
120.47913	34.4
162.86511	33.4
165.17766	30.9
209.11908	91.2
210.12045	42.0
222.72650	36.7
255.23270	99.1
335.32529	37.1
397.13483	46.8
398.98764	34.3
575.69818	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03802	24.0
65.33261	24.8
71.01395	46.2
71.26865	46.2
80.96504	36.6
97.03004	28.7
116.92867	100.0
147.32744	23.9
163.95071	23.0
170.03195	28.7
204.09459	23.0
207.10309	64.9
208.10544	35.6
217.67361	23.6
221.11852	23.9
225.11337	26.5
255.23195	53.4
256.23642	46.1
397.13589	31.0
455.35275	37.2
586.11914	26.5
647.49170	28.4
786.15631	26.3
864.50037	45.7
924.44653	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73617	0.5
69.03451	1.1
69.89781	1.2
69.90199	2.1
71.01386	15.8
72.01743	0.5
72.99314	1.3
73.02941	3.0
75.00875	0.6
77.66193	0.5
79.95726	1.1
80.96519	1.2
81.03465	1.3
83.00957	0.6
83.01406	2.1
83.05029	4.9
84.02170	1.1
85.02951	3.9
87.00893	4.2
89.02446	12.4
95.01400	1.7
95.05032	0.8
97.02971	2.1
99.00907	1.5
100.04932	0.5
101.02457	12.4
109.06605	1.9
110.06945	0.6
110.55424	0.5
113.02458	7.3
116.92892	0.9
117.55003	0.5
119.03519	3.0
125.02471	6.3
131.03545	0.6
135.08183	0.7
139.03963	0.7
139.15416	0.5
141.54927	0.5
143.03505	2.4
161.04543	3.2
162.04976	0.5
163.11317	4.0
164.11661	0.6
165.12860	1.8
179.05638	2.7
191.10794	1.0
207.10304	4.1
208.10626	1.3
209.11842	100.0
210.12154	6.9
217.07182	1.3
221.06718	1.0
225.00789	0.6
225.11317	1.6
226.11592	1.0
227.12894	11.2
235.08226	5.4
253.09300	0.7
255.23288	59.7
256.23581	6.8
259.08258	1.0
269.24905	0.8
287.07642	2.0
305.08817	2.0
323.09875	1.5
379.12463	16.1
380.12787	2.3
397.13516	42.6
398.13934	5.2
399.13821	0.9
415.14606	6.1
416.14618	0.8
535.61096	0.6
589.24762	4.7
590.25293	0.9
607.25946	3.4
608.26086	0.6
635.36877	4.0
636.37329	0.8
653.37750	5.1
654.37762	1.3
749.42834	0.8
863.49927	4.8
897.77917	0.8
923.44086	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	921.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99788	0.9
69.03470	1.6
70.45501	2.0
71.01389	29.7
71.67498	0.7
72.99310	3.0
73.02960	4.0
79.84547	0.7
81.03459	3.0
83.01386	3.8
83.05062	3.3
85.02956	6.9
87.00893	6.9
89.02454	21.1
91.03997	0.8
93.03479	0.8
95.01416	2.0
97.02959	11.4
99.00885	4.2
101.02453	18.5
106.04222	0.7
107.05024	0.9
109.03041	0.7
109.06607	33.8
110.03758	1.3
110.06973	1.7
111.04577	0.9
113.02456	10.7
116.92883	1.2
119.03533	4.7
121.06616	1.9
123.04575	0.7
125.02449	8.9
131.03503	0.7
132.13402	0.6
135.08139	4.0
136.05382	1.1
137.02496	1.0
141.01917	1.9
142.02744	2.5
143.03513	2.9
149.04533	0.9
161.04634	3.8
161.09738	2.6
163.11301	20.3
164.11636	1.1
165.09268	0.9
167.03526	0.8
179.05643	4.7
179.10678	1.0
181.12360	4.6
182.12688	0.8
183.74158	0.8
189.09261	2.5
199.06241	1.1
207.10277	100.0
208.10596	6.4
209.11858	3.1
217.07057	1.0
221.06696	2.0
225.11330	37.4
226.11659	2.8
235.08212	8.3
243.12318	2.0
253.09351	1.2
255.23285	86.8
256.23611	7.4
287.07813	1.6
299.15054	0.9
305.08749	2.3
314.74030	0.7
323.09750	1.3
379.12515	10.7
397.13513	56.4
398.13907	5.8
415.14548	14.7
499.55856	0.8
587.23468	3.2
589.85468	0.8
605.24530	7.6
606.25226	1.2
623.25458	4.1
635.36670	2.2
653.37555	7.9
654.37964	1.6
719.51996	0.7
725.60870	0.9
843.48102	2.9
861.48816	71.5
862.49103	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	921.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	14.4
71.29946	1.2
72.99306	0.9
73.02943	1.6
78.95933	0.8
80.96499	0.7
81.03453	1.0
83.01416	1.7
83.05028	3.2
85.02983	3.2
87.00897	2.9
89.02449	10.1
92.03565	0.5
95.01420	0.8
96.67331	0.5
96.92799	0.5
97.02966	1.9
101.02457	10.9
101.03081	1.0
113.02477	5.9
116.92882	1.2
119.03497	4.2
125.02472	5.4
131.03494	0.6
133.05115	0.7
139.03987	0.7
143.03517	2.3
161.04601	3.6
163.11293	2.8
165.12869	1.4
167.03493	0.7
170.44832	0.5
179.05606	5.8
191.10779	0.9
209.11839	100.0
210.12167	4.9
217.07196	1.3
221.06557	0.9
225.08969	0.6
227.12894	29.5
228.13174	1.8
235.08226	5.4
253.09267	0.8
259.08148	0.9
262.34091	0.5
277.21722	53.9
278.21976	4.1
287.07681	2.0
300.99875	1.3
305.08759	1.9
323.09857	2.7
379.12448	14.8
380.12784	1.3
397.13513	69.2
398.13864	5.9
415.14548	11.9
416.15002	0.8
492.56851	0.6
549.75189	0.6
589.24933	6.3
590.25305	1.1
607.26062	4.1
608.26605	1.0
657.34967	4.0
675.35980	7.6
676.36591	1.2
827.87994	0.6
867.47864	3.1
868.47925	0.9
885.48523	0.8
921.46295	31.6
922.46710	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	921.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.5
71.01388	14.5
71.05031	1.0
71.71288	1.3
72.99316	1.7
73.02972	3.2
75.00906	1.1
78.00547	0.8
81.03482	1.3
83.01402	2.9
83.05043	1.3
85.02954	4.6
87.00890	7.3
89.02456	9.7
97.02947	10.5
97.06609	2.1
99.00890	20.3
101.02457	11.2
101.20362	0.8
109.06585	5.8
110.03771	1.5
113.02459	6.6
116.92863	2.1
119.03503	2.6
123.08215	1.2
124.01742	0.9
125.02462	5.7
125.09743	5.2
127.03991	0.8
131.03519	1.3
135.08186	1.8
142.02786	1.9
143.03477	1.0
161.04597	2.2
163.11299	9.7
164.11641	1.1
179.05635	1.2
181.12350	15.1
182.12624	1.2
197.11758	0.9
199.13390	2.1
207.10272	54.4
208.10555	3.9
209.11842	4.5
221.06741	1.7
223.13351	0.8
225.11325	63.9
226.11586	4.5
235.08217	3.3
243.12393	19.5
244.12772	2.4
255.23285	59.3
256.23669	5.4
263.07758	1.4
281.24847	1.6
359.86411	1.0
379.12552	3.0
397.13498	15.2
398.13528	1.3
415.14478	3.3
482.83176	1.0
605.24603	17.9
606.24860	4.3
623.25739	7.0
624.25836	1.1
635.36664	0.9
653.37427	2.1
861.48846	100.0
862.49213	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	921.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36243	0.4
69.03466	0.6
70.27958	0.7
70.28367	1.8
71.01386	10.0
72.99325	1.1
73.02955	1.1
80.02671	0.6
81.03458	0.9
82.95444	1.0
83.01418	1.3
83.05038	2.8
84.02184	0.6
85.02961	2.1
87.00899	1.9
89.02454	10.3
92.68170	0.4
95.01418	0.9
97.02959	1.5
101.02454	8.3
105.74632	0.5
109.02917	0.5
113.02467	5.6
116.92893	1.0
119.03521	3.0
125.02443	4.5
131.03555	0.7
135.08218	0.5
140.03046	0.4
143.03546	2.4
149.04543	0.7
161.04594	3.5
163.11308	1.9
165.12869	1.6
167.03490	0.5
179.05646	4.8
181.12302	0.5
191.10774	1.0
207.10310	0.6
209.11836	100.0
210.12196	6.2
217.07080	0.8
221.06657	1.2
227.12892	24.3
228.13235	1.5
235.08238	4.7
245.06781	0.7
251.12842	0.6
253.09305	0.6
259.08109	1.0
263.07553	0.5
277.21722	42.6
278.22034	4.9
287.07730	1.8
305.08578	2.6
323.09937	2.6
341.10629	0.8
379.12439	13.7
380.12784	1.6
397.13519	52.8
398.13779	4.5
415.14590	10.6
416.14798	1.0
427.19159	0.5
471.34732	5.5
472.35101	0.8
589.25238	7.1
590.24982	1.6
607.26001	8.5
608.26324	1.4
657.35004	2.4
675.36395	3.4
676.36627	0.6
867.47296	2.5
885.49036	0.8
921.46375	30.2
922.46576	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	919.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46587	26.9
71.01378	26.1
78.95893	4.8
79.95732	5.3
80.96529	8.5
82.95439	3.3
83.01411	3.5
83.05019	3.4
85.02962	5.4
87.00880	7.8
88.98813	20.4
89.02460	18.7
96.95990	3.2
97.02950	7.9
99.00929	3.8
101.02457	20.3
109.06610	23.3
110.06874	2.5
113.02470	14.6
119.03478	6.3
123.77238	2.7
125.02440	13.8
143.03491	3.8
161.04529	5.2
163.11267	16.4
179.05577	7.5
181.12314	3.6
189.09253	3.1
201.11328	18.8
207.10281	97.0
208.10510	5.9
209.11786	22.2
221.06636	3.0
225.11319	46.0
226.11641	3.0
235.08218	9.4
243.12282	3.5
255.23407	14.7
277.21716	58.0
278.22147	6.0
293.21307	3.2
305.09015	4.1
309.20728	3.3
379.12421	18.6
397.13531	82.0
398.13867	7.9
415.14615	23.7
587.22717	5.9
589.25494	4.0
605.24463	21.9
606.24585	3.2
623.25330	11.7
653.36902	5.3
675.35754	4.3
838.48767	3.1
865.46210	6.7
883.47394	100.0
884.47327	31.2
919.45593	62.5
920.44666	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	919.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
67.95596	3.0
68.99664	3.1
71.01373	20.7
71.69549	3.2
71.69897	3.0
78.13522	2.8
78.95909	4.6
79.30235	3.1
83.01400	4.4
85.02967	5.0
87.00878	6.5
88.98260	3.7
88.98811	57.9
89.02438	20.7
96.96021	4.4
97.02959	8.2
101.02467	18.4
109.06634	26.0
113.02462	11.7
124.90488	3.4
125.02455	9.4
135.08150	3.9
143.03418	3.9
161.04556	5.4
163.11285	11.2
179.05563	6.9
201.11296	14.0
207.10277	81.3
208.10590	6.0
209.11847	13.5
225.11330	43.8
227.12828	4.3
235.08154	7.4
253.21767	6.3
253.88065	3.3
255.23210	10.0
277.21713	59.3
278.22058	8.9
379.12311	17.0
397.13501	93.5
398.14069	8.7
415.14621	23.2
509.95731	4.4
568.58356	4.3
587.23291	4.0
605.24689	15.1
623.25610	6.7
657.35291	7.3
675.36462	12.1
859.47266	4.3
865.45703	7.1
883.47211	100.0
884.47644	25.8
919.44952	53.8
920.46924	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	917.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05927	0.8
69.03465	3.0
71.01386	53.4
71.74872	1.5
72.99309	3.5
73.02945	8.5
78.95877	1.1
80.02691	1.3
80.96527	1.1
81.03459	3.2
83.01410	4.8
83.05045	5.0
84.02156	1.0
85.02966	10.4
86.12507	1.0
87.00890	9.1
89.02455	22.8
95.01397	3.0
95.05067	1.8
97.02953	6.7
97.06605	1.2
99.00906	3.2
99.04507	1.1
101.02454	21.3
109.06602	8.1
110.03708	1.0
111.00874	1.0
111.08180	3.8
113.02476	15.0
115.68350	0.8
116.92886	2.4
119.03499	5.7
121.06623	0.9
123.08095	0.9
125.02448	10.7
125.06084	1.1
125.09726	3.5
127.04079	1.5
127.11292	3.1
131.03514	1.8
137.09737	1.6
139.04012	1.1
141.01909	1.3
143.03510	4.6
149.09785	1.5
153.09290	1.4
155.10800	2.4
161.04532	5.9
161.09644	1.2
163.11340	9.1
165.09282	1.5
165.12859	3.9
167.03517	1.2
167.10838	2.2
169.12363	2.3
171.10291	35.1
171.48045	0.9
172.10614	1.1
177.12938	0.9
179.05663	6.5
179.10733	2.0
179.35371	1.0
181.12384	4.4
183.13860	1.7
185.11829	4.3
189.09160	1.5
191.10779	1.3
195.13936	9.9
197.11819	4.2
199.13422	2.0
201.11333	28.4
202.11862	1.1
207.10258	22.5
208.10658	1.3
209.11838	50.9
210.12192	2.5
211.13513	5.5
215.12962	2.5
217.07126	1.1
221.06688	3.0
223.13437	5.1
225.11327	41.1
226.11606	2.2
227.12932	8.5
228.13454	1.8
235.08211	8.1
235.17148	0.9
243.12344	4.5
253.09329	4.8
273.18591	1.1
275.20160	8.8
283.33932	0.9
287.07709	2.2
289.17947	1.6
291.19647	31.6
291.22931	1.8
292.19998	2.2
293.21225	100.0
294.21515	8.0
305.08780	2.1
307.19141	1.7
309.20667	11.8
310.20963	1.7
311.22192	3.0
327.21735	1.5
328.22202	1.7
379.12329	4.5
397.13538	49.6
398.13849	4.2
415.14560	17.9
431.27853	2.7
439.14627	3.9
457.15613	2.0
465.01981	1.1
466.02917	2.3
485.32712	7.7
486.33170	1.9
487.34341	3.4
605.24567	4.6
623.25824	6.8
673.34265	1.2
691.35205	2.0
881.46307	1.2
899.46783	10.3
900.47272	2.5
917.48920	6.7
918.48114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88812	0.2
67.01889	0.8
68.99811	0.3
69.03455	1.1
71.01385	16.3
71.55475	0.4
71.55820	0.4
72.99313	1.8
73.02947	2.3
75.00882	0.4
75.25636	0.3
78.95893	0.4
80.02686	1.2
81.03456	2.1
83.01403	2.1
83.05036	6.0
84.02180	0.9
85.02956	2.9
87.00882	4.0
87.04575	0.2
87.50793	0.3
89.01897	0.6
89.02453	11.3
91.04010	0.4
93.03458	0.6
95.01383	1.2
95.05034	1.1
96.96023	1.0
97.02969	2.3
97.06619	0.7
97.26820	0.2
99.00882	1.0
101.02456	11.6
102.02756	0.3
109.02999	0.7
109.06602	0.5
111.00871	1.5
111.04539	0.4
111.08160	1.6
113.02463	6.1
116.92883	0.6
119.03526	3.2
121.10289	1.2
123.00896	0.3
123.08136	0.4
125.02462	5.4
125.06105	0.3
125.09726	2.1
127.11255	0.3
131.03490	0.9
133.05142	0.3
135.04451	0.3
135.08192	1.0
137.02414	0.4
137.09761	0.8
139.04048	0.6
141.01973	0.5
141.12914	0.3
143.03539	2.4
143.04515	0.4
143.31572	0.2
151.04068	0.3
161.02521	0.6
161.04593	2.9
163.11314	4.5
165.12872	2.1
167.03458	0.3
167.10652	0.4
167.14366	0.7
169.12302	0.4
171.10294	10.3
172.10645	0.3
172.67509	0.3
177.01920	0.3
179.05597	3.8
179.10794	0.3
181.12317	0.5
183.13914	0.3
185.11830	3.0
191.03467	0.3
191.10802	0.9
195.13820	0.4
197.11887	2.3
199.06104	0.3
199.13400	1.3
201.11266	0.3
207.10237	0.5
207.13892	0.3
209.11839	100.0
210.12175	6.8
211.13403	34.6
212.13753	2.9
217.07127	0.5
219.05061	0.3
221.06639	1.5
223.16980	0.5
225.11288	0.5
227.12897	16.1
228.13278	0.7
235.08237	4.7
245.06580	0.4
247.20691	0.5
249.04073	0.6
251.12906	0.4
251.16467	1.1
253.09285	1.1
259.08200	0.5
263.07733	0.4
273.18509	0.5
274.01245	0.3
275.01840	0.6
287.07730	1.5
291.19653	36.2
292.19974	4.2
294.65683	0.3
300.99881	1.3
305.08792	1.7
309.20712	6.1
310.20996	0.6
323.09869	1.3
329.21198	0.6
379.12463	6.9
379.17352	0.4
380.12775	0.5
397.13516	39.3
398.14005	2.8
415.14603	9.4
416.14969	0.5
465.02036	0.4
465.52078	0.4
466.02640	0.6
551.23523	0.5
569.23962	0.5
589.24945	2.2
590.25208	0.4
591.26563	1.3
607.26215	4.5
608.26440	0.6
609.27673	1.6
625.27606	0.4
671.32867	1.9
672.33160	0.4
689.34076	3.5
690.34454	0.5
707.35223	0.6
801.39618	0.7
865.11713	0.3
867.73627	0.3
881.45825	0.8
917.47455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.478
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20902	0.2
67.01877	0.2
69.03469	1.9
71.01386	14.7
71.05023	0.4
72.99315	1.3
73.02957	2.3
75.00851	0.2
80.02684	1.3
81.03457	2.2
83.01392	1.6
83.05033	5.6
84.02179	1.1
85.02958	4.1
87.00880	3.4
87.04508	0.2
89.02454	11.9
93.03461	0.5
93.07096	0.3
95.01389	1.5
95.05051	0.8
96.96015	0.2
97.02962	5.5
97.03549	0.4
97.06611	0.8
99.00882	0.9
99.04539	0.3
101.02453	11.5
102.02785	0.2
107.05051	0.4
109.02973	0.2
109.06620	0.9
111.00874	0.4
111.04547	0.5
111.08174	4.1
113.02470	7.0
119.03522	2.9
119.08665	0.3
121.02940	0.3
123.04562	0.3
123.08160	0.3
125.02460	4.7
125.06097	0.7
125.09751	1.1
127.04051	0.3
127.07674	0.4
127.11346	0.3
131.03465	1.0
133.05086	0.4
135.07248	0.2
135.08128	1.1
137.02432	0.2
137.09724	1.3
139.04010	0.4
141.01949	0.6
143.03525	1.8
147.08206	0.2
147.11801	0.5
149.04568	0.4
151.11205	0.3
153.12901	0.4
161.04576	3.1
163.11299	5.4
165.12852	5.2
167.03465	0.3
167.10825	0.3
169.12334	1.6
171.10268	2.7
179.05635	4.2
179.10797	0.2
181.12321	1.6
182.12907	0.2
183.13927	0.8
191.10849	0.9
193.12312	0.8
193.16080	0.4
197.11839	19.7
198.12222	1.0
199.13374	1.1
202.40451	0.2
207.10297	0.4
209.11839	100.0
210.12173	5.4
211.13412	3.6
217.07147	0.7
221.06726	1.3
221.11774	0.4
221.96013	0.2
223.13457	0.7
225.11356	0.6
227.12898	14.5
228.13278	0.4
235.08218	4.2
239.12831	0.3
247.20638	1.9
251.12819	0.3
253.09248	1.2
263.07736	0.6
263.20102	0.9
265.17993	0.4
273.18573	1.0
287.07788	1.5
291.19653	26.3
292.19946	1.9
293.21170	0.4
305.08746	1.8
309.20712	77.3
310.21060	5.8
323.09869	1.2
325.20297	0.2
328.53564	0.2
333.20715	0.5
341.11020	0.3
351.21994	0.3
361.11374	0.3
379.12430	3.9
380.13104	0.3
387.25684	0.2
397.13516	37.7
398.13989	2.3
415.14566	13.5
416.14853	0.9
501.32236	0.7
524.36255	0.2
589.25098	0.8
607.25958	2.8
689.34094	1.5
707.35193	1.9
837.90332	0.2
899.46246	0.4
917.47473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	26.3
71.65678	5.8
71.66176	6.1
75.00862	9.5
79.95718	25.4
80.96518	32.5
83.05060	8.8
85.37748	5.7
87.00869	9.2
89.02464	23.1
101.02458	15.0
113.02454	11.1
125.02450	12.5
129.01982	26.2
135.03017	13.5
143.03517	6.2
197.11748	7.2
209.11841	100.0
225.00710	15.2
227.12820	9.7
235.08235	5.6
277.21695	54.1
300.99817	6.2
321.36108	5.5
379.12155	9.7
397.13571	48.0
443.20804	5.5
488.70425	5.8
916.47003	11.3
917.47235	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	917.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01066	1.1
69.03455	5.9
69.41602	1.3
69.52883	7.1
69.53295	2.0
71.01386	63.3
71.04997	1.1
71.62082	1.0
72.01707	2.1
72.99315	5.4
73.02952	8.8
73.03307	1.8
75.00871	1.3
78.95890	1.8
79.95749	1.7
80.96513	2.6
81.03470	4.1
83.01387	7.9
83.05028	4.6
85.02965	16.4
87.00889	10.2
89.02453	37.1
95.01373	5.7
95.05031	2.6
96.96014	2.7
97.02970	12.6
97.06598	4.4
99.00900	3.1
101.02454	40.5
102.02768	1.6
108.02200	1.3
109.02985	1.3
109.06580	2.6
111.04548	2.0
111.08166	3.2
113.02473	19.3
116.92870	2.8
119.03518	8.7
120.03841	1.4
121.02956	1.7
123.04524	3.1
125.02470	14.3
125.09756	7.2
128.90138	2.6
129.01956	1.7
131.03497	2.6
133.05098	1.4
135.08127	1.5
137.09734	4.9
141.01968	2.2
141.12840	3.1
143.03497	5.8
146.96574	1.4
149.04575	2.6
149.09686	1.3
151.11307	3.1
161.04576	7.9
161.09749	1.9
163.11276	6.7
165.12875	10.2
167.10858	2.8
169.12366	7.5
171.10309	8.9
171.13966	1.8
173.02251	1.3
177.12978	1.7
179.05640	12.3
179.10829	2.4
181.12401	6.4
183.13931	26.0
184.14296	1.2
185.11836	11.4
186.12271	1.1
191.10843	1.7
191.14392	5.5
193.12369	3.8
195.13879	1.8
197.11832	10.4
199.13405	34.8
200.13733	1.7
201.11275	1.8
207.10321	5.4
209.11830	31.5
210.12216	1.4
211.13412	100.0
212.13731	5.8
221.06660	5.5
223.09720	4.7
223.13361	3.4
224.10324	1.9
225.11305	4.5
227.12886	64.5
228.13313	3.6
229.14445	3.4
235.08197	11.0
237.11234	1.5
245.13927	1.7
245.19122	10.4
247.20625	3.2
253.09248	4.0
263.07556	2.3
263.20010	3.8
275.01965	1.5
287.07550	1.7
289.18069	35.5
290.18335	2.7
291.19623	35.9
292.19989	2.8
293.21231	12.4
294.21606	5.5
295.22388	3.3
300.99777	2.2
305.08780	1.6
307.19135	34.2
308.19363	3.0
309.20700	68.1
310.21100	6.4
323.09781	3.4
379.12296	3.7
397.13516	62.9
398.13986	6.3
399.14026	1.7
415.14551	26.9
415.19720	2.1
416.14810	3.1
439.14484	2.3
501.32169	2.9
589.25604	1.6
607.25653	8.1
608.26306	1.5
623.26056	1.6
625.27301	8.0
705.33954	1.3
707.35144	1.6
831.39868	2.1
834.94897	1.9
899.46405	9.9
900.46423	3.7
917.47314	22.5
918.47504	3.6
928.29688	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	915.463
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99478	0.3
67.01898	0.5
69.03449	2.7
71.01384	26.0
71.05022	0.7
72.01721	0.4
72.99306	2.5
73.02950	3.6
75.00874	0.6
78.95959	0.4
79.01428	0.3
80.02674	2.4
81.03470	4.0
83.01401	3.8
83.05032	7.8
84.02174	0.8
84.05302	0.4
85.02957	6.0
87.00884	5.6
88.98814	1.1
89.02453	18.8
93.03478	0.9
95.01364	2.0
95.05045	2.4
96.96000	0.4
97.02962	8.7
97.03554	0.6
97.06597	2.8
99.00887	2.6
101.02453	18.4
106.04269	0.6
107.05067	0.7
108.02148	0.4
109.02969	0.6
109.06602	16.4
110.03754	1.1
110.06958	0.5
111.00902	0.7
111.04543	1.1
111.08172	4.8
113.02465	10.6
114.16237	0.4
119.03511	4.8
121.02941	0.6
121.06606	2.0
123.04562	2.3
123.08200	0.8
125.02472	7.7
125.03390	0.5
125.06083	0.9
125.09750	3.9
126.90460	0.4
131.03510	1.3
133.06625	0.4
135.08174	3.7
136.05310	1.2
137.02509	0.4
137.06134	0.4
137.09746	2.2
139.04103	0.4
139.07611	0.3
141.01955	1.2
141.12881	0.8
142.02736	1.5
143.03523	3.2
145.02994	0.3
149.02461	0.5
149.04588	0.8
149.06076	0.4
149.09715	0.4
151.11296	0.9
153.12852	0.8
161.04572	4.3
161.09697	2.0
163.07671	0.5
163.11305	15.8
164.11639	1.3
165.09236	0.4
165.12874	3.5
167.10802	0.4
169.12384	1.9
171.10283	2.9
177.12946	0.4
179.05635	5.8
179.10812	1.5
181.12383	4.7
183.13953	0.5
183.61378	0.4
185.04640	0.4
185.11842	3.0
189.09238	1.1
191.10841	1.9
191.14410	3.2
197.11838	19.3
198.12134	1.0
199.06110	0.5
199.13394	1.3
207.10272	43.8
208.10600	3.4
209.11835	100.0
210.12167	6.5
211.13388	5.6
212.13690	0.5
217.07198	0.6
217.15826	0.4
221.06657	2.9
221.11729	0.5
223.13507	0.5
225.11331	23.3
226.11684	1.4
227.12886	13.3
228.13219	1.1
229.96739	0.5
235.08221	5.3
237.11299	0.9
239.12729	0.4
243.12354	1.3
245.19093	6.0
246.19426	0.6
247.13364	0.5
247.20642	0.6
249.15068	0.5
251.12959	0.6
253.09210	2.2
263.07748	0.8
263.20108	2.3
264.20541	0.4
271.17059	0.9
273.18567	0.8
277.09125	0.4
281.13937	0.6
281.21240	0.6
285.03958	0.8
287.07614	1.6
289.18091	28.4
290.18387	3.3
291.19656	10.3
291.22913	0.6
292.19962	0.9
293.21136	0.7
299.14923	0.9
301.00119	0.4
305.08786	1.4
307.19150	29.2
308.19467	3.2
309.20718	34.6
310.20978	3.5
315.05176	0.5
323.09903	1.5
325.20163	0.8
331.19431	0.5
345.20767	0.4
379.12451	3.7
380.12735	0.4
397.13522	44.2
398.13831	3.4
415.14566	16.2
416.14819	1.7
419.24207	0.6
443.19189	0.5
461.20648	0.4
499.30524	0.9
521.80249	0.4
587.23688	0.7
589.25073	0.6
605.24622	3.3
606.24622	0.7
607.25977	1.7
623.25659	3.7
624.26160	0.6
664.19550	0.4
687.32660	0.9
689.34302	1.1
705.34259	0.5
707.35095	1.4
735.39899	0.4
799.38446	1.9
853.20166	0.4
879.43860	0.6
897.45117	3.1
898.45648	0.9
915.46136	26.5
916.46649	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	915.428
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.3
67.88605	0.1
70.21473	0.2
71.01383	0.4
83.01392	0.3
89.02448	0.1
93.03468	0.2
98.19800	0.3
101.02431	0.1
107.01404	1.0
108.02189	0.3
109.02969	0.3
120.96797	0.1
121.02959	0.7
124.01659	0.3
125.02460	1.1
135.00899	0.2
135.04552	0.2
137.02460	0.4
149.02467	0.2
149.99612	0.3
150.03333	0.1
151.00392	4.0
153.01939	0.2
163.00412	1.2
163.04080	0.2
164.01190	0.1
168.00670	0.5
169.01501	0.7
174.03218	0.3
178.99884	2.7
179.38780	0.1
180.00282	0.2
187.03879	0.1
188.04863	0.2
190.02765	0.4
191.03456	0.2
192.00711	0.2
193.01521	0.2
198.03232	0.4
199.03999	0.3
203.03487	0.3
211.03993	0.3
215.03445	0.2
216.04285	0.4
221.00902	0.1
226.02737	3.2
227.03407	1.1
227.12912	0.5
230.19453	0.2
242.02211	0.2
243.02980	7.9
244.03351	0.7
245.04388	0.2
254.02197	3.6
255.02979	5.3
256.03381	0.3
269.14099	0.2
271.02472	37.6
272.02975	3.2
273.03802	0.2
287.14926	1.1
288.15393	0.6
289.15674	0.3
299.01965	0.3
300.02765	50.9
301.03464	14.1
302.03842	0.8
343.04608	0.7
442.37640	0.2
449.20282	0.4
450.20465	0.4
451.08560	1.5
451.21732	0.3
451.29053	0.5
452.09122	0.2
463.08801	100.0
464.09155	9.0
465.09882	0.2
650.81067	0.2
693.35205	0.2
932.49774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47638	90.9
71.01405	43.6
75.16072	9.7
88.98825	100.0
89.02451	14.9
93.03508	8.3
95.69651	9.0
101.02446	15.1
113.02460	10.0
115.00370	12.0
116.92838	10.5
123.00904	11.5
125.02490	44.6
128.53062	7.6
133.58949	8.7
149.02419	8.4
150.03235	19.0
152.83804	8.4
161.04561	7.6
165.05533	9.2
169.01460	42.6
175.02516	13.1
179.05685	10.0
181.12335	8.3
195.06512	12.4
204.38947	8.4
207.10301	21.9
209.11845	80.7
225.07738	10.6
225.11374	18.9
227.13065	11.0
252.10234	8.1
285.04141	30.6
360.99408	8.6
380.02390	8.2
397.13647	26.5
669.83051	8.7
729.82733	9.9
833.39270	9.8
877.60498	9.7
914.37750	22.3
915.38916	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	915.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96125	0.2
64.97871	0.2
65.00326	2.8
67.01892	0.3
70.53081	0.2
71.01382	2.7
71.71476	0.3
72.99311	0.4
75.00911	0.3
83.01395	2.4
85.02938	1.9
87.00851	0.3
89.02483	0.3
92.82734	0.3
93.03459	1.4
95.01415	0.5
99.00900	0.7
103.00388	0.5
107.01398	6.9
108.02245	0.4
109.02973	4.1
113.02483	1.7
118.08704	0.2
119.01385	0.4
121.02972	6.3
122.03284	0.4
135.00922	0.5
137.02489	0.5
139.04030	0.6
149.02486	1.2
151.00389	28.8
152.00711	1.9
159.04498	0.5
161.06036	0.3
163.00383	4.2
164.01114	0.4
165.01927	0.4
167.04924	0.2
169.01425	2.2
171.04524	0.4
175.02516	0.8
175.04036	0.5
178.99876	14.3
180.00211	1.3
183.04517	0.6
185.06076	0.4
187.04019	0.8
192.00600	0.4
193.01479	0.5
201.05576	0.8
203.03558	0.4
205.05153	0.4
211.04016	1.6
212.04399	0.3
214.02689	0.4
215.03476	0.4
227.03496	2.1
228.04149	0.7
229.05051	1.9
231.03027	0.3
239.03523	0.5
240.04100	0.3
243.02971	0.5
245.04561	2.7
246.04991	0.3
255.02950	4.5
256.03482	1.1
257.04541	0.6
271.02420	0.9
272.03040	0.4
273.04022	2.6
283.02457	2.1
284.03256	0.3
299.02130	0.4
300.02560	0.7
301.03531	100.0
302.00363	0.6
302.03864	12.6
303.04175	2.3
366.42230	0.3
435.09573	0.7
477.06732	70.3
478.07031	12.6
479.07306	3.6
536.72815	0.3
722.67493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.186
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	0.1
71.01384	0.5
71.71882	0.2
72.99300	0.2
77.01584	0.2
87.00896	0.2
88.98817	100.0
89.99155	1.0
93.03442	0.2
107.01411	0.2
115.00424	0.2
117.03477	1.0
117.10986	0.1
125.02477	0.2
125.09669	0.1
142.99893	0.3
145.02965	3.8
146.03304	0.3
146.50517	0.1
151.00401	0.3
159.04460	0.2
163.03961	0.2
163.11314	0.2
164.01114	0.2
169.01448	0.2
169.06703	0.2
174.01756	0.3
175.02589	0.2
183.13930	0.2
187.04030	0.3
193.12341	0.2
197.06143	0.2
197.11836	0.3
198.96956	0.2
207.10400	0.2
209.11862	0.7
211.04015	0.2
211.13393	0.7
213.05641	0.2
225.11394	0.4
227.03522	1.0
229.05009	0.7
239.03387	0.2
255.02989	2.2
256.03473	0.3
257.04568	0.7
283.02533	0.5
284.03268	1.6
285.04037	10.9
286.04523	0.9
291.19745	0.2
309.20532	0.3
444.37039	0.2
659.14539	0.3
677.15363	1.3
678.16125	0.2
823.18982	5.4
824.19336	1.5
913.45197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00346	0.5
69.41611	1.5
69.42038	2.1
71.01398	2.5
73.02950	1.3
83.01402	1.9
85.02953	1.1
89.02439	1.2
89.07247	0.3
93.03466	0.5
95.53066	0.3
99.04522	1.4
101.02460	2.4
107.01390	1.3
108.02184	0.8
109.02968	0.5
113.02476	1.2
115.08186	0.4
116.50397	0.3
121.02944	1.0
125.02502	0.4
137.02449	0.4
139.04092	0.3
148.01665	0.4
151.00366	4.6
163.00381	1.2
165.12849	1.3
167.03580	0.4
167.10765	0.6
169.01407	0.8
178.99869	1.7
183.04391	0.4
207.13930	4.7
208.62485	0.3
209.11841	6.2
215.03348	0.3
225.14973	9.0
226.02768	0.6
227.03560	0.8
227.12892	38.2
228.13118	1.8
243.02945	3.5
245.04689	0.6
251.12836	1.3
254.02170	0.9
255.00404	0.7
255.02969	9.7
256.03342	0.4
269.11029	0.6
269.13937	14.3
270.14197	1.2
271.02472	20.8
272.02740	1.7
283.02637	0.5
287.14999	100.0
288.15335	6.7
290.36575	0.3
293.13904	0.9
299.02039	0.4
300.02753	41.2
301.03479	17.7
302.03842	1.0
329.15994	3.5
359.17075	2.8
389.18185	12.2
390.18399	0.9
431.19363	0.5
449.20279	79.5
450.20624	7.1
463.08817	34.4
464.09143	3.5
655.46368	0.4
904.45087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00313	0.2
65.46433	0.2
71.01389	0.5
75.00862	0.2
79.42419	0.2
81.01146	0.2
85.54891	0.2
88.98816	100.0
89.99155	0.6
93.03501	0.2
96.96028	1.4
96.96999	0.3
101.02514	0.2
107.01402	0.2
109.02962	0.3
111.04557	0.2
117.03471	1.2
119.05099	0.3
125.02506	0.2
141.64822	0.2
145.02975	5.9
146.03365	0.3
151.00377	0.7
158.32576	0.2
163.04031	0.4
169.01466	0.3
171.04584	0.2
171.10309	0.3
183.04419	0.3
187.04016	0.5
197.11867	0.3
207.10294	0.5
209.11891	0.6
211.03969	0.5
211.13315	0.3
213.05615	0.2
225.11357	0.8
227.03471	1.3
229.05098	1.5
241.05177	0.3
255.03015	2.6
256.03629	0.5
257.04620	0.9
283.02606	0.8
284.03278	3.1
285.04050	16.6
286.04440	0.8
309.20755	0.4
397.13718	0.5
415.15067	0.2
509.97922	0.2
537.14264	0.4
554.61578	0.2
564.79980	0.2
659.14221	0.8
677.15308	2.1
823.03076	0.3
823.19043	7.2
824.19403	1.3
913.44714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	2.6
70.44959	0.2
70.45299	1.0
71.01387	2.8
74.01198	0.2
75.00873	0.4
83.01381	2.4
85.02939	1.4
87.00887	0.2
87.64035	0.2
91.01885	0.3
93.03486	1.2
95.01398	0.6
99.00897	0.4
103.00388	0.6
107.01408	7.0
108.02200	0.4
109.01656	0.3
109.02963	4.1
111.00893	0.2
113.02470	1.5
117.01962	0.3
119.01382	0.7
121.02969	6.6
122.89466	0.2
125.02444	0.6
135.00882	0.4
137.02483	0.6
139.04042	0.4
148.01709	0.3
149.02443	1.3
150.06506	0.2
151.00391	28.5
152.00696	1.2
153.01909	0.9
159.04523	0.6
161.02448	0.3
163.00386	4.1
163.03995	0.4
164.01128	0.6
167.05069	0.4
169.01462	2.3
171.04465	0.3
175.02483	1.1
178.99872	13.9
180.00261	0.6
183.04538	0.9
185.06090	0.4
187.04056	0.5
189.01965	0.3
190.99815	0.3
192.00566	0.3
193.01474	0.6
199.04134	0.4
201.05627	1.2
203.03494	0.6
211.04053	1.6
212.04585	0.4
213.01968	0.2
214.02611	0.3
215.03520	0.3
217.05070	0.3
227.03458	1.7
227.12854	0.8
228.04091	0.4
229.05049	1.6
239.03435	0.8
243.02933	0.7
245.04523	3.1
255.02956	4.8
256.03580	0.7
257.04477	0.3
266.02194	0.4
269.14108	0.3
271.02417	1.9
272.03082	0.5
273.04031	2.6
283.02426	2.2
284.03137	0.4
287.14844	0.9
299.01978	3.2
299.99121	0.5
300.02505	0.8
301.03531	100.0
302.00247	0.8
302.03857	8.9
303.00610	0.3
303.04138	0.5
412.66800	0.3
433.04306	0.7
434.04251	0.7
435.04602	0.4
435.09293	1.6
435.18539	1.8
436.19125	0.3
477.06732	75.4
478.07074	9.8
479.07440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46806	0.3
69.47207	1.2
71.01393	0.3
74.12675	0.1
74.57018	0.1
85.02921	0.2
89.02454	0.2
99.01800	0.2
101.02456	0.2
113.02438	0.4
124.01698	0.3
125.02431	0.2
132.02191	0.2
137.02423	0.6
144.96802	0.2
151.00374	0.7
151.04021	0.2
152.01157	0.3
160.01724	0.3
163.00433	0.2
167.07098	0.2
169.01517	0.3
172.01665	0.9
177.01926	0.2
178.99890	0.5
185.02441	0.8
196.64474	0.2
200.01158	1.0
201.01898	0.6
214.02654	0.6
216.00586	1.2
228.00650	1.0
229.01373	1.3
242.02148	0.6
242.99228	0.5
243.02994	0.3
244.00098	1.3
245.00684	0.5
249.06171	0.2
256.48346	0.2
257.00803	0.8
259.02475	0.3
267.07089	0.4
268.07501	0.2
270.01675	0.7
271.02408	3.5
271.99557	1.3
272.02527	0.4
273.00159	0.3
282.98849	0.8
283.99503	0.4
287.02008	2.4
288.02460	0.3
298.98315	0.2
299.99100	67.5
300.99844	62.7
302.00241	4.4
316.02231	11.3
317.02820	2.3
385.11383	0.5
433.04099	100.0
434.04456	10.9
479.08258	14.5
480.08658	1.7
756.91174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.2
69.80452	1.2
71.01384	0.6
71.05005	0.2
72.99323	0.2
73.02953	0.2
78.91394	0.2
83.05016	0.4
88.98801	0.7
99.57176	0.2
101.02469	0.5
111.08177	0.9
113.02435	0.2
116.92841	0.5
125.02440	0.5
165.12863	17.3
166.13216	1.0
169.01547	0.2
183.13910	75.1
184.14250	5.0
191.10832	0.3
209.11850	2.0
221.11670	0.3
227.12891	100.0
228.13226	6.1
239.12891	0.2
249.10970	0.2
262.60431	0.2
300.99698	0.3
354.76727	0.2
397.13431	0.2
437.30826	0.2
455.31067	0.2
499.29919	0.2
501.05780	0.2
502.98349	0.2
517.31323	1.9
518.32281	0.3
539.29645	0.2
615.79871	0.2
679.37384	4.1
680.38232	0.9
861.36816	0.2
907.42126	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98539	1.3
69.03445	3.6
71.01387	49.0
71.05023	1.9
71.71415	1.7
72.99299	4.0
73.02941	4.3
75.00878	1.9
78.95864	1.8
79.95747	3.8
80.96532	9.0
81.03443	1.5
83.01377	4.4
83.05038	2.9
85.02975	8.2
87.00883	9.3
89.02454	26.7
94.98016	1.6
95.01397	3.7
95.05042	1.7
97.02966	7.6
97.06582	3.7
99.00893	16.9
101.02456	25.8
109.02911	1.5
109.06607	5.0
111.00876	1.5
111.08169	3.2
113.02450	15.1
116.92869	1.6
119.03529	7.8
123.08154	2.0
125.02460	9.2
125.09745	9.6
129.01935	2.3
139.03995	2.0
139.62880	1.9
143.03505	5.2
161.04533	5.0
163.11307	13.1
164.98607	2.1
165.12943	1.3
167.10710	1.6
169.12355	2.9
171.10280	33.2
172.10542	1.7
179.05598	6.6
179.10797	3.1
181.12355	14.2
183.13864	5.0
185.11821	3.0
189.09203	2.5
195.13890	5.5
197.11806	3.0
199.13388	20.0
201.11382	6.2
202.26994	1.3
207.10266	27.7
209.11867	6.1
211.13400	45.5
212.13690	2.3
213.64833	1.5
215.12778	2.1
221.06691	2.7
223.13501	2.3
225.00702	2.3
225.11322	47.3
226.11642	2.2
227.12866	20.8
228.13449	1.4
235.08189	7.9
243.12341	13.6
247.20599	1.6
251.23630	2.2
253.09288	2.4
275.20065	3.3
277.21716	56.7
278.21918	6.4
287.07666	2.7
291.19644	40.1
292.19958	5.3
293.21213	35.4
294.21637	4.1
295.22815	2.8
300.99814	2.4
305.08694	2.5
309.20810	1.9
313.23737	2.7
323.09949	2.9
379.12482	9.5
387.28351	4.7
397.13480	52.4
398.13797	4.4
415.14584	16.3
431.31680	1.7
465.02026	2.4
466.43448	1.2
469.33374	4.0
605.25049	2.8
607.26062	2.3
623.25616	2.5
625.27173	2.5
655.82935	1.3
771.72382	1.6
857.45111	2.2
883.47168	8.2
884.48395	2.6
901.48065	100.0
902.48657	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99831	0.3
69.03457	1.0
69.12210	0.3
71.01389	14.1
71.05009	0.4
71.75004	0.5
72.99323	1.6
73.02950	2.2
75.00871	0.3
79.95707	0.3
80.02683	1.0
81.03479	2.2
83.01385	1.7
83.05030	5.3
84.02173	0.9
85.02961	2.8
86.03272	0.3
87.00890	3.5
89.02455	11.6
95.01414	1.3
95.05022	1.1
96.96021	1.7
97.02960	2.0
97.06602	0.4
99.00877	0.9
101.02454	11.2
109.06614	0.5
111.00896	0.5
111.04567	0.3
111.08189	1.0
113.02458	6.4
115.03989	0.4
116.92887	0.3
119.03516	3.0
121.02914	0.4
123.04552	0.3
124.01656	0.4
125.02465	4.9
125.06085	0.7
126.02832	0.3
131.03528	0.7
133.05109	0.4
135.08183	0.7
141.02013	0.5
143.03496	1.6
147.11777	0.4
149.02420	0.3
149.04550	0.4
159.02910	0.3
161.04572	3.0
163.11319	4.1
165.12895	2.4
167.10857	0.4
171.10326	0.6
179.05643	3.2
179.14352	0.8
181.12376	1.2
183.13918	0.9
190.46959	0.3
191.10812	1.1
195.13905	5.2
196.14565	0.4
197.11852	1.1
199.13461	0.4
205.12460	0.4
208.49040	0.3
209.11839	99.8
210.12173	4.0
211.13422	4.4
217.07172	0.6
221.06702	1.7
223.13399	5.1
227.10635	0.6
227.12901	11.4
228.13493	1.1
235.08215	4.7
235.17097	0.8
249.22253	0.3
251.12984	0.6
253.09286	1.1
256.13123	1.0
265.21539	0.3
275.20187	4.5
287.07700	1.5
291.19781	1.1
293.21222	100.0
294.21558	5.9
305.08823	1.4
308.84863	0.3
309.20728	2.6
310.20923	0.4
323.09778	1.5
354.27469	0.3
379.12482	3.2
397.13519	42.3
398.13873	2.9
415.14587	13.6
416.15201	0.7
485.32980	0.3
589.25024	0.6
607.26086	4.1
673.34741	0.6
691.35010	1.3
901.45490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02329	0.5
69.03448	1.6
71.01382	24.2
72.99327	2.5
73.02953	3.7
81.03470	0.8
83.01389	2.6
83.05003	2.0
85.02959	5.2
86.00113	0.4
87.00881	4.6
89.01907	1.0
89.02450	18.0
93.03482	0.5
95.01400	1.8
97.02966	2.8
97.06584	1.3
98.19917	1.3
99.00890	1.7
101.02450	16.9
107.04988	0.5
109.06583	1.0
111.00871	0.5
111.04521	0.7
111.08161	3.3
113.02467	8.6
113.09727	1.8
114.93417	0.6
115.04065	0.4
116.92860	1.3
119.03497	3.6
125.02452	4.9
131.03465	1.1
141.01964	0.5
143.03514	2.2
153.12891	0.7
161.04568	3.2
163.11287	1.4
165.12833	6.4
166.13271	0.5
169.12331	1.0
171.10260	2.2
179.05618	3.2
179.14429	0.9
181.12372	1.0
183.13902	54.9
184.14197	3.5
193.12306	0.9
195.13904	5.5
197.11842	8.2
198.12105	0.6
199.13277	0.8
205.12343	0.5
207.10275	2.4
209.11835	17.2
210.12154	1.5
211.13382	19.1
212.13654	1.5
217.07117	0.5
221.06694	2.2
223.13422	4.2
225.11322	1.4
227.12880	5.8
228.13405	0.9
229.39056	0.5
231.21080	0.5
235.08229	3.2
251.13152	0.5
253.09227	1.7
263.20148	0.8
275.02042	0.4
275.20132	4.5
291.19638	3.6
293.21216	37.2
294.21613	4.3
295.22705	1.5
305.08676	0.7
309.20715	17.6
310.20935	1.6
323.09747	1.1
379.12402	1.8
397.13483	18.3
398.13791	1.8
415.14566	7.1
465.52032	0.7
466.03094	0.6
607.26044	1.0
609.27545	1.6
625.27191	1.7
689.34009	0.8
691.34930	0.8
772.30054	0.5
901.48206	100.0
902.48517	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	0.2
69.03459	0.8
71.01382	15.1
71.05033	0.3
72.01719	0.4
72.99314	1.5
73.02943	2.1
74.47858	0.1
75.00864	0.4
75.40800	0.2
80.02683	1.1
81.03461	1.7
83.01394	1.9
83.05030	5.2
84.02165	0.8
85.02956	3.5
87.00874	2.9
87.01363	0.3
87.04520	0.3
89.02451	10.8
90.02760	0.2
91.04059	0.2
93.03440	0.3
95.01388	1.0
95.05019	0.9
96.96029	0.8
97.02950	2.0
97.06580	0.4
98.51559	0.2
99.00887	1.0
99.04536	0.4
101.02450	11.8
102.02801	0.3
109.02956	0.3
109.06618	0.5
111.00893	0.4
111.04552	0.6
111.08163	0.6
113.02460	6.3
113.09781	0.2
115.04045	0.2
116.92882	0.6
119.03500	2.6
121.10245	0.6
125.02458	4.1
125.06086	0.5
125.09744	0.3
127.04008	0.3
131.03500	0.5
133.05055	0.5
135.08154	0.5
137.02486	0.2
139.04045	0.4
141.01956	0.4
141.09225	0.3
143.03522	2.0
145.05042	0.3
149.02423	0.2
149.04587	0.5
161.04555	2.8
163.11302	3.9
165.12865	2.0
166.13211	0.3
167.03491	0.2
167.10814	0.4
169.12358	0.5
171.10287	1.9
177.12862	0.2
179.05620	3.6
179.10735	0.2
179.14388	0.5
181.12425	0.8
183.13907	0.6
185.11801	0.3
191.10803	0.9
193.12151	0.2
195.13913	6.2
196.14423	0.6
197.11841	0.8
199.06133	0.3
199.13445	0.2
205.12294	0.6
205.16035	0.3
207.10294	0.3
209.11829	87.5
210.12161	5.9
211.13385	6.2
212.13737	0.5
217.07224	0.3
221.06642	1.7
223.13377	5.0
224.13867	0.5
225.11272	0.2
225.15048	0.3
227.12883	12.7
228.13348	1.2
229.58022	0.2
231.21112	0.5
235.08209	4.8
236.08521	0.2
239.12932	0.2
245.06648	0.2
251.12781	0.3
253.09282	1.4
256.13150	0.6
259.08295	0.2
263.07703	0.5
265.21658	0.5
275.20132	6.6
276.20447	0.8
277.09442	0.2
287.07733	1.6
291.19641	1.8
292.19943	0.2
293.21201	100.0
294.21545	11.0
299.99445	0.2
300.99710	0.2
305.08704	1.8
309.20679	3.0
310.21106	0.3
317.21014	0.5
323.09583	1.2
379.12466	3.8
380.12808	0.3
397.13504	35.4
398.13858	3.1
411.35791	0.2
415.14548	13.2
416.14996	1.3
465.52295	0.3
485.32626	0.5
503.33640	0.5
589.24908	0.7
607.26184	1.8
608.25946	0.3
609.27393	0.5
673.35059	1.1
691.35748	2.1
692.36255	0.3
695.76538	0.2
781.61951	0.2
883.46185	0.3
901.46552	0.6
902.45697	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
68.15713	1.1
69.03451	1.5
71.01381	31.0
71.05011	2.5
71.27742	2.4
72.55744	1.2
72.99301	2.2
73.02931	5.0
78.95914	1.8
79.95734	5.4
80.96517	17.9
83.01385	2.8
83.05051	1.5
85.02964	7.4
87.00880	5.5
87.04501	1.4
89.02450	14.9
94.98072	5.0
95.01366	2.8
95.05003	1.9
96.96001	3.1
97.02970	7.6
97.06573	2.9
99.00903	12.4
101.02464	16.0
109.02955	2.0
109.06601	4.0
113.02469	8.8
116.92862	3.0
119.03522	3.0
125.02465	6.4
125.09713	5.5
135.08191	1.1
148.99112	2.3
161.04559	2.8
161.09731	1.3
163.11319	8.5
164.98636	3.2
171.10268	16.7
179.05659	2.3
181.12372	10.4
197.11717	2.9
199.09763	6.0
199.13383	11.0
201.11259	6.3
207.10263	31.8
209.11810	3.8
211.13394	2.3
215.12813	3.0
221.06599	3.5
225.00728	4.2
225.11345	35.4
226.11583	1.6
235.08159	3.0
243.12413	7.2
250.85341	1.3
277.21704	47.9
278.21964	5.2
287.07715	1.5
291.19580	2.4
293.21225	2.8
300.99963	6.8
328.12875	1.3
379.12302	4.7
397.08826	2.1
397.13544	22.2
398.13828	2.7
415.14429	8.9
429.30209	7.8
471.34854	29.6
472.34918	3.8
504.54892	1.3
551.23486	1.5
569.24176	1.3
605.24695	3.5
623.25275	4.2
828.50360	1.9
857.45435	2.9
883.47046	14.4
884.48370	4.0
901.47858	100.0
902.48102	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	901.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01911	0.4
68.99814	0.5
69.03446	1.2
71.01385	100.0
71.05056	0.2
72.01725	1.3
72.99326	1.2
73.02956	3.5
75.00867	0.3
78.95911	0.3
80.02707	0.3
81.03465	1.3
83.01390	1.5
83.02261	0.2
83.05063	1.2
84.02174	0.3
85.02966	4.0
87.00888	3.4
87.04541	0.2
89.01904	0.5
89.02456	9.6
91.08352	0.2
92.42602	0.2
93.03494	0.3
95.01397	1.3
95.05034	0.8
96.96030	0.4
97.02966	3.9
97.06592	0.7
99.00893	1.8
101.02457	9.6
106.04192	0.3
107.05073	0.4
109.02982	0.4
109.06607	8.9
110.03739	0.5
110.06947	0.4
111.00880	0.5
111.04553	0.4
113.02463	6.0
115.04045	0.2
116.92908	0.7
119.03528	2.3
121.02969	0.4
121.06627	0.6
123.04520	0.3
123.08152	0.3
125.02458	4.7
125.09748	1.4
127.04018	0.3
127.07683	0.3
127.11315	1.7
131.03513	0.3
131.93692	0.2
135.08192	1.0
136.05304	0.5
137.02478	0.3
137.09711	0.5
139.04056	0.5
139.07671	0.6
141.01961	0.9
142.02708	0.7
143.03522	2.1
145.10243	0.2
151.11331	0.4
153.09254	0.4
155.10808	1.3
160.15134	0.2
161.04546	2.1
161.09735	0.8
163.11307	6.0
164.11563	0.3
165.09203	0.5
167.03522	0.4
167.10815	0.4
171.10284	18.4
172.10611	0.9
179.05630	3.1
179.10742	0.6
180.05884	0.3
181.12375	2.4
183.10291	0.5
185.11911	1.6
189.09219	0.8
197.11864	0.9
199.09776	0.9
199.13432	1.1
201.11336	13.1
202.11668	0.8
203.05609	0.2
203.62988	0.2
207.10271	24.1
208.10597	1.4
209.11925	1.1
215.12872	1.3
217.07231	0.3
221.06702	1.9
225.11320	24.1
226.11649	1.3
229.87444	0.3
235.08229	3.4
243.12355	2.5
253.09222	1.2
263.07773	0.5
277.21722	27.4
278.22089	3.2
281.14136	0.2
287.07751	0.7
293.21164	0.4
299.15027	0.4
305.08762	0.7
306.09045	0.3
321.07971	0.3
323.09955	0.7
361.10944	0.3
379.12497	3.6
397.13501	17.4
398.13928	1.6
415.09476	0.4
415.14603	4.9
416.14886	0.5
439.14517	1.1
443.19470	0.3
457.15753	0.3
551.23279	0.5
597.23755	0.3
605.24237	2.1
606.25110	0.4
623.25574	5.2
624.26166	0.9
641.27417	0.3
739.46808	0.3
883.47290	7.9
884.47400	3.5
901.47821	4.0
902.48236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99245	0.4
68.99831	0.6
69.03457	0.9
71.01383	100.0
72.01733	1.5
72.99306	1.8
73.02932	3.4
75.00863	0.5
78.95898	0.6
78.98701	0.4
79.95756	0.7
80.02695	0.4
80.96521	1.8
81.03469	1.5
83.01376	2.3
83.05042	1.1
85.02954	4.0
87.00873	4.1
88.82443	0.5
89.02448	11.0
93.03461	0.6
95.01411	1.4
95.05013	0.7
96.96036	1.1
97.02962	3.7
99.00876	2.2
101.02451	11.0
101.03085	0.8
107.05038	0.5
109.06595	6.2
111.00891	0.5
113.02462	5.9
116.92929	0.5
119.03530	3.1
121.06636	0.7
124.01675	0.5
125.02483	4.6
125.06077	0.5
125.09751	1.8
127.11316	1.1
135.08177	1.2
141.01936	0.5
142.02740	0.9
143.03516	1.8
149.04503	0.6
155.10767	0.7
161.04579	2.0
161.09721	0.7
163.11319	5.2
167.03630	0.5
171.10283	12.8
172.10666	0.5
179.05611	2.2
179.10783	0.5
181.12405	1.8
183.10263	0.6
185.11880	1.0
189.09236	0.8
197.11967	0.9
198.46291	0.4
199.09842	1.4
201.11349	10.3
202.11755	0.5
207.10272	24.1
208.10625	1.6
209.11853	1.3
215.12924	1.3
217.07245	0.8
221.06682	1.5
225.11304	18.9
226.11682	1.2
235.08252	3.3
243.12410	2.5
246.32614	0.5
251.72601	0.5
253.09300	1.3
275.02118	0.5
277.21710	35.7
278.22046	4.4
279.59979	0.5
287.07645	0.9
294.97070	0.4
300.99991	0.9
305.08777	1.4
311.08334	0.5
354.40530	0.5
379.12430	2.6
397.13513	19.2
398.14117	1.9
415.14600	5.9
431.31674	0.9
439.14667	1.5
457.15472	0.5
469.33078	3.1
470.33667	0.8
605.24695	2.4
606.24786	0.6
623.25232	2.6
641.27167	0.7
671.98914	0.6
675.37146	0.7
883.47363	8.6
884.48053	3.9
901.47400	6.1
902.49188	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	900.502
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98526	4.5
62.99250	4.3
68.18761	2.9
70.87597	8.8
71.01395	15.2
75.64398	2.4
78.95897	2.7
79.95718	2.8
80.96509	14.7
87.00890	3.5
89.02460	3.7
94.98074	3.2
101.02447	4.0
113.02445	4.3
125.02419	4.7
152.07370	2.7
169.12170	3.8
171.10269	6.6
174.23178	3.0
197.11794	8.3
201.11266	3.7
207.10327	3.4
211.13182	4.2
225.00787	2.7
225.11378	3.7
231.68842	2.6
235.07901	2.8
235.56551	2.8
253.56169	2.6
261.58469	2.9
277.21783	15.1
293.20816	3.6
300.99863	10.5
312.21448	3.5
397.13324	3.8
471.34781	100.0
472.35379	3.0
546.56927	3.5
630.12634	3.2
900.46655	28.8
901.47357	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98519	28.8
63.99253	18.2
66.88758	10.9
69.58649	54.6
69.59072	33.0
71.01391	75.9
75.05981	9.8
78.95913	27.9
79.95744	15.6
80.96531	19.2
85.02950	16.3
87.00900	13.5
89.02439	24.6
96.96027	14.3
99.28786	10.6
101.02453	27.5
113.02433	22.0
116.92871	29.9
123.04503	13.2
125.02459	21.6
161.04648	11.4
171.10286	47.4
175.02548	19.4
197.11903	30.5
198.12277	13.3
207.10246	14.3
211.13419	30.3
225.11214	19.4
235.08134	13.5
253.09149	10.9
261.03543	10.2
277.21790	100.0
278.22015	31.8
279.22882	11.4
291.19757	14.1
300.99789	26.2
309.20651	34.3
310.21075	16.5
311.22229	12.0
379.12225	13.7
397.13373	43.5
403.98322	11.6
415.14514	17.9
448.24039	10.7
471.34238	16.0
637.20770	12.5
738.45178	19.6
858.73279	13.8
900.46320	76.9
901.47473	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	0.3
68.99844	0.7
69.03452	4.3
69.36761	1.7
69.37193	2.3
70.61528	0.3
71.01384	17.2
71.05022	1.5
72.99307	1.6
73.02954	2.3
75.00855	0.4
78.95901	0.9
79.95765	0.6
80.96532	1.5
81.03469	0.7
83.01389	1.9
83.05032	0.8
85.02954	3.3
87.00883	2.5
89.02453	10.0
95.01405	1.6
95.05020	0.4
97.02970	2.9
97.06624	0.8
99.00890	1.5
101.02455	10.5
102.02813	0.4
109.03001	0.5
111.00895	0.5
111.04552	0.6
113.02470	3.9
114.62740	0.4
119.03513	1.4
123.08185	1.3
125.02460	2.4
125.09762	2.0
131.03503	0.4
133.63000	0.3
137.09729	0.3
137.93257	0.3
143.03506	1.0
151.11287	1.7
153.12836	1.7
158.26164	0.3
161.04601	1.7
161.09735	2.5
163.04048	0.4
169.12349	0.9
171.10300	0.7
179.05685	0.6
179.10771	5.4
197.11839	64.6
198.12187	3.7
203.03661	0.5
205.08765	0.3
207.10275	0.8
209.11856	1.9
211.13361	0.7
221.06630	2.6
223.09729	1.8
225.00659	0.4
231.02956	0.5
235.08174	1.5
241.10828	3.7
242.11140	0.5
249.03941	0.4
253.09312	0.6
275.02121	0.6
277.21722	21.2
278.21982	2.2
291.19556	0.9
293.21246	0.7
299.99152	0.6
300.99844	2.1
309.20792	0.9
310.21130	0.4
379.12408	0.4
389.93207	0.4
397.13559	2.9
398.13766	0.4
415.14682	1.1
455.61774	0.4
465.01880	0.7
466.02625	0.8
466.53033	1.0
469.33167	1.0
639.25159	0.7
678.44037	0.4
881.45636	0.6
882.46637	0.4
899.46686	100.0
900.46973	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	899.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01898	0.4
69.03464	4.6
69.57432	3.3
71.01383	14.8
71.05010	1.2
72.99308	1.1
73.02947	2.3
75.00864	0.7
78.95912	0.9
79.95742	1.1
80.96510	2.3
81.03459	0.5
83.01386	1.5
83.05038	0.4
85.02959	3.5
85.26531	0.3
86.63068	0.3
87.00893	2.6
89.02451	8.0
94.98102	0.4
95.01379	1.0
97.02962	2.5
97.06583	1.2
99.00873	1.0
101.02452	8.3
108.02221	0.4
109.03011	0.5
109.06581	0.4
111.00926	0.5
113.02458	3.9
119.03526	1.8
123.08173	1.6
125.02476	3.2
125.06095	0.4
125.09763	2.3
131.03502	0.5
137.09813	0.5
143.03496	1.1
151.11272	1.9
153.12866	0.8
161.04562	1.2
161.09746	2.6
161.36330	0.4
167.79454	0.4
169.12331	2.0
171.10234	0.5
175.02493	0.4
179.05603	0.4
179.10788	5.1
197.11833	37.9
198.12134	2.8
209.11882	0.9
210.12181	0.4
211.13498	0.8
221.06656	1.6
223.09680	1.2
225.00764	0.5
227.13101	0.4
235.08202	1.5
241.10895	2.1
242.11092	0.4
253.09210	0.8
259.20865	0.4
277.21716	34.1
278.22058	3.6
291.19693	0.9
292.19910	0.6
300.99841	1.4
309.20599	1.6
310.20944	1.5
311.21283	0.6
397.13431	2.2
415.14609	0.5
471.35107	0.5
621.23682	0.5
881.45801	0.9
899.46686	100.0
900.47015	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	898.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98531	31.7
69.12270	12.2
71.01379	49.4
80.96522	52.1
87.00906	13.0
89.02435	21.2
91.89503	13.2
97.98063	14.5
98.19892	34.6
101.02462	34.9
116.92884	16.1
122.67466	16.4
132.43147	12.5
197.11934	28.5
206.22871	13.4
209.11850	100.0
210.12155	25.4
211.13391	23.6
225.11290	15.4
253.09212	23.6
255.23256	47.9
256.23672	19.9
274.10953	14.7
277.21756	83.6
291.19403	26.2
293.20950	18.4
307.19171	22.3
308.19370	24.0
309.20557	32.9
310.20847	19.9
311.21936	37.9
343.70319	14.1
353.22516	14.7
397.13419	27.4
540.15656	17.2
778.39209	14.7
857.84351	17.3
898.47101	66.1
899.46002	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98531	41.8
67.46584	8.8
87.00925	10.6
89.02443	9.1
90.00885	8.6
125.02436	17.6
150.37193	8.9
173.01117	10.0
209.11812	100.0
210.12201	60.1
211.12296	18.8
227.12866	23.9
273.83060	8.3
301.16711	9.1
396.11279	9.9
397.13623	21.5
421.01126	9.6
472.29507	10.6
557.83911	9.8
779.54901	9.9
898.39044	35.4
899.40405	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	898.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98533	12.3
69.03445	9.9
71.01395	100.0
73.02961	15.1
78.95930	13.2
79.95733	11.3
80.96542	19.5
85.02980	10.5
85.27847	8.9
87.00887	12.0
89.02454	29.8
99.00900	11.1
101.02478	26.3
113.02421	11.6
118.15376	8.1
122.66111	8.1
125.02441	19.2
141.24594	9.1
171.10280	51.0
201.11339	19.7
207.10301	16.2
209.11806	28.0
210.12175	20.2
223.09776	11.8
225.11279	19.9
229.81075	9.1
235.08127	14.1
253.09077	9.1
255.23239	30.1
256.23642	25.5
291.19556	13.2
300.99796	9.1
309.20718	15.0
310.21115	13.4
397.13538	35.0
397.92041	8.4
398.13782	19.0
415.14658	15.2
549.83777	9.7
898.49042	15.4
899.45789	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	12.1
85.02951	4.2
88.98804	5.3
89.02459	12.1
97.02953	6.3
98.19839	6.8
99.00903	4.3
101.02454	12.0
109.06640	12.8
113.02477	7.9
119.03506	4.6
125.02457	7.2
161.04619	4.5
163.11327	8.2
167.79947	2.6
179.05655	5.8
207.10268	69.5
209.11691	3.3
213.98491	2.8
225.11360	28.1
226.11740	3.9
255.23274	57.3
256.23502	3.6
281.81595	2.9
289.34943	2.8
290.89722	2.8
379.12512	14.0
397.13525	74.1
398.13809	4.8
415.14410	15.4
416.14905	3.4
455.35129	4.0
587.22870	5.1
605.24353	10.5
635.36499	6.8
653.37891	16.7
843.47540	6.7
861.48907	100.0
862.49365	26.3
897.46423	54.7
898.47241	17.3
911.55756	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	897.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36643	0.7
68.99829	1.0
69.03461	1.2
71.01386	100.0
71.71182	1.1
72.01713	0.9
72.99321	2.4
73.02963	5.0
73.66258	0.8
75.00873	4.0
79.20050	0.8
80.96529	1.2
81.03456	2.0
83.01394	2.7
83.05038	1.4
85.02962	7.9
87.00876	6.8
89.02451	18.4
95.01420	2.1
97.02961	5.0
99.00897	2.9
99.53009	0.7
101.01854	1.5
101.02464	19.3
109.02911	0.9
109.06616	6.4
110.03722	1.0
111.04533	0.8
112.01627	0.8
113.02463	11.0
119.03535	5.5
122.40779	0.7
125.02462	7.0
125.06091	0.7
125.09761	2.6
127.11301	1.2
135.08203	0.9
136.05327	0.7
142.02766	0.8
143.03525	3.4
155.10825	1.8
161.04558	4.8
163.11292	3.6
171.10284	46.6
172.10660	1.9
179.05623	5.1
179.10817	0.9
181.08687	1.4
181.12357	2.1
185.11809	0.8
199.09761	10.6
199.13542	0.9
201.11328	11.3
202.11671	1.2
207.10275	18.8
207.12141	1.3
208.10652	1.5
209.11826	0.8
215.12904	1.0
217.07231	0.9
221.06720	1.7
221.11890	8.8
222.12157	1.0
225.11334	10.9
235.08226	7.1
239.12880	4.9
243.12386	2.0
253.09293	1.7
255.23294	68.6
256.23688	5.7
277.21701	5.4
287.07736	2.2
293.21286	1.1
305.08813	3.3
309.20782	1.0
379.12531	6.6
380.12845	0.9
394.80731	0.8
397.13516	44.4
398.13840	3.5
415.14587	9.3
416.14706	0.9
498.34048	0.9
597.24902	1.0
605.25073	1.3
623.25549	1.7
653.37604	1.6
835.47107	3.6
836.48499	1.0
861.49054	8.5
862.49249	4.5
879.50409	2.2
886.31281	0.9
897.50580	13.2
898.50677	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01890	1.7
68.99836	0.8
69.03465	1.7
71.01385	5.8
71.68046	0.8
72.99310	1.4
73.02950	0.7
79.01903	1.7
81.03496	0.5
83.01402	1.7
85.02961	2.0
87.00893	1.7
89.02458	1.3
93.03481	0.9
95.01407	3.7
96.99287	0.5
97.02969	2.0
99.00892	0.7
101.02455	2.8
107.01402	16.3
108.02232	0.8
109.02971	1.9
110.00123	0.4
111.00892	4.1
113.02486	2.4
116.92918	1.1
121.02983	2.3
122.03757	2.2
123.00900	20.2
123.04547	2.0
124.01745	3.4
125.02464	83.5
126.02798	2.8
127.00388	1.7
134.03603	0.6
135.04556	1.5
136.01675	15.0
136.98831	2.7
137.02507	4.3
138.03223	0.9
139.00394	6.5
139.04041	4.7
140.01169	6.0
141.01958	2.0
145.03011	0.5
146.03737	2.4
147.04558	0.9
149.02451	4.1
149.06111	0.7
150.03249	15.7
151.00388	13.8
151.04033	17.2
152.01126	1.6
152.04454	0.9
153.01964	1.5
153.05551	0.6
154.99915	0.6
159.94812	0.4
160.05305	0.6
161.02527	0.7
161.06096	1.0
162.03255	3.6
163.04015	1.5
164.04799	2.0
165.01941	1.9
165.05583	10.8
165.12810	0.5
166.02730	5.7
166.99884	1.6
167.03537	2.6
168.00656	8.8
169.01443	100.0
170.01762	4.5
175.04025	1.0
176.04723	0.8
177.01930	1.2
177.05527	2.5
179.03508	1.1
179.07137	1.6
180.04289	1.4
181.01421	0.6
181.05067	6.9
183.03001	16.0
183.13948	3.0
184.03421	0.8
190.06406	0.5
191.03526	0.8
193.01436	0.9
193.05092	0.5
195.02940	0.6
195.06598	3.8
203.03267	0.6
205.05014	0.6
209.11841	1.7
211.02480	3.2
219.06602	0.7
221.08264	0.7
223.02446	0.9
225.03897	0.5
234.05313	0.5
241.03410	2.5
249.07529	0.6
253.03583	1.3
297.06256	1.5
300.99985	1.1
312.04877	1.1
313.05640	32.5
314.05865	2.5
316.91565	0.4
327.07172	5.3
329.10150	0.6
341.10751	0.4
342.11176	0.8
343.11819	1.3
357.09723	3.1
357.13538	1.2
358.10458	2.2
372.11942	0.9
373.12958	1.4
375.18933	0.6
387.14706	0.8
463.21811	3.3
491.11917	1.7
493.13705	3.0
509.13010	19.4
510.13202	2.5
523.14697	2.9
569.20526	0.8
897.28467	96.4
898.28802	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	2.3
71.01385	9.6
72.99313	1.0
73.02951	2.4
78.81889	0.8
80.02678	1.6
81.03468	2.1
83.01399	2.0
83.05020	1.5
85.02956	3.6
87.00897	3.4
89.02460	6.1
95.05040	1.9
97.02961	3.6
97.06612	4.0
99.00946	1.0
101.02444	9.2
109.03026	0.8
109.06630	1.2
111.08176	10.5
112.84258	0.8
113.02464	4.7
119.03553	2.5
121.06633	1.4
123.04541	3.1
123.08145	1.2
125.06111	1.0
125.09742	6.0
125.24758	1.0
135.08182	1.8
137.09726	4.5
142.02740	1.0
143.03500	1.2
151.11211	0.9
153.09206	0.9
153.12862	2.2
161.04555	4.1
163.11276	7.4
165.12846	4.1
167.10925	1.0
169.12347	6.4
171.10315	2.9
177.12846	1.0
179.05650	1.6
179.10732	1.0
181.12341	3.1
185.11867	7.0
191.14421	7.8
192.41193	0.9
193.12335	1.9
197.11842	64.9
198.12189	3.4
199.13420	3.0
207.10281	3.8
209.11841	20.3
209.13722	1.4
210.12184	1.6
211.13399	13.0
212.13727	1.0
221.11879	0.9
225.11322	3.5
227.12918	2.8
235.08214	6.7
237.11333	4.3
243.17455	0.9
245.19121	15.2
246.19397	1.0
247.20587	1.6
253.09270	32.6
254.09587	1.7
255.23366	3.4
263.20169	8.3
265.18085	2.6
271.17020	4.3
273.18573	1.6
287.16321	0.8
289.18079	83.7
290.18466	10.2
291.19641	35.3
292.19995	3.0
307.19141	85.9
308.19519	7.4
309.20703	100.0
310.21045	9.5
397.13449	2.8
498.67682	1.0
525.27289	4.4
527.28418	1.2
543.28192	3.3
544.28143	1.1
545.29517	2.7
552.25220	0.9
590.18109	0.9
737.41058	1.1
835.48212	2.7
836.48773	1.0
895.47125	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	895.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66028	1.4
69.03452	2.0
71.01392	12.5
71.69580	1.3
71.69982	1.6
72.99325	1.4
73.02966	2.1
74.08152	1.1
74.87008	1.2
83.01411	1.8
83.05029	2.9
83.56078	1.3
85.02938	2.4
87.00865	6.5
89.02463	7.4
95.04987	1.3
96.18813	1.4
97.02978	3.0
97.06599	6.0
99.00879	1.5
101.02448	9.0
109.06603	2.1
111.08162	14.2
111.78299	1.3
113.02473	4.7
119.03500	2.3
123.04504	1.9
123.08183	1.9
125.02439	1.6
125.09733	5.4
137.09747	3.5
149.09676	1.4
151.11311	3.8
153.12877	1.7
161.04552	3.7
163.11348	5.9
165.12891	5.3
167.10861	2.5
169.12376	5.6
171.10298	3.1
179.05783	1.3
179.10808	2.6
181.12416	3.4
183.13889	1.3
185.11852	4.0
191.14394	6.9
197.11839	71.7
198.12154	4.8
199.13380	5.4
207.10294	1.8
209.11826	21.1
211.13426	12.7
215.12898	3.0
223.09583	1.3
225.11275	2.9
227.12865	6.6
235.08261	7.6
237.11327	4.0
245.19054	14.5
246.19331	2.1
253.09264	30.0
253.11754	2.4
254.09444	1.6
255.23286	5.2
263.20151	13.8
271.16992	1.5
273.18628	1.7
289.18091	66.8
290.18430	6.8
291.19626	25.6
292.19797	2.8
307.15491	2.2
307.19144	82.2
308.19501	8.4
309.20697	100.0
310.21036	10.6
397.13950	3.2
445.20898	5.1
525.26892	2.6
543.27759	8.2
545.29547	2.6
579.67236	1.4
737.40875	2.8
835.48633	5.4
890.85339	1.4
895.48633	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	895.421
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99787	1.5
69.03461	2.8
71.01389	100.0
72.99298	3.7
73.02940	4.8
74.59269	1.2
75.00867	1.4
80.02677	1.5
81.03442	2.8
83.01365	1.6
83.05025	2.7
84.81599	1.6
85.02965	6.0
87.00876	4.6
88.98808	8.2
89.02460	16.5
95.01364	2.7
97.02948	8.0
99.00896	3.0
101.02445	15.3
109.06599	15.3
110.03761	1.7
111.00890	2.1
113.02462	10.3
119.03506	5.4
125.02440	6.5
125.09700	2.1
131.03557	1.6
135.08136	1.7
143.03488	2.9
155.10786	2.1
161.04543	4.8
161.09802	1.5
163.11293	9.8
171.10269	7.2
179.05643	5.8
181.12280	3.4
183.13895	6.5
193.12312	2.4
199.13441	3.1
201.11281	4.9
207.10281	40.5
208.10490	2.4
209.11858	14.4
211.13409	83.0
212.13733	4.0
221.06622	2.2
221.11761	1.9
225.11345	29.8
227.12837	11.3
235.08215	5.0
243.12370	1.7
253.09349	1.5
373.23660	1.9
379.12341	2.6
383.07935	1.5
383.22238	1.9
391.24323	2.0
397.13577	32.6
398.13950	2.2
401.23526	6.3
415.14587	10.8
419.24344	5.5
466.85800	1.5
493.27695	1.4
494.62598	1.4
513.46545	1.2
605.24567	3.7
609.27917	2.4
623.25781	3.4
625.27588	2.3
771.38605	1.8
799.37836	10.4
800.37952	2.8
817.39136	24.7
818.39270	6.9
819.39972	2.0
835.40009	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	895.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.2
71.01385	14.9
71.69906	0.2
71.70327	0.3
72.01736	0.4
72.99310	1.0
73.02949	1.3
74.35059	0.3
75.00864	0.5
81.03442	0.5
81.36238	0.2
83.01395	1.2
83.05019	0.6
85.02953	2.7
87.00877	2.2
88.98820	2.1
89.01905	0.4
89.02453	7.6
89.45762	0.2
91.04044	0.2
93.03477	0.4
95.01396	0.8
97.02950	2.1
99.00883	0.7
101.02453	8.1
105.01938	0.4
109.02940	0.3
109.06586	1.2
111.04529	0.3
113.02460	4.6
116.92828	0.3
117.07102	0.5
119.03500	1.8
121.02969	0.3
123.00861	0.3
124.01659	0.2
125.02469	3.1
131.03513	0.3
133.05070	0.3
137.02426	0.3
143.03522	1.2
155.10799	0.3
161.04576	1.9
162.13385	0.2
163.11307	0.8
165.12891	0.5
167.10828	0.4
167.14421	0.9
171.10300	0.6
179.05617	2.4
181.12320	0.3
183.13927	7.4
184.14214	0.6
193.12373	2.1
199.09737	0.2
199.13377	0.4
200.64043	0.2
207.10268	3.5
209.11871	1.8
211.13406	100.0
212.13741	6.9
217.07237	0.6
218.33330	0.2
220.14688	1.3
221.06689	0.8
221.15453	3.1
222.15738	0.2
225.11337	2.2
227.12910	0.9
235.08232	2.8
236.10518	3.4
237.10893	0.3
253.09155	0.4
253.14597	0.3
254.24562	0.3
259.08282	0.4
262.51431	0.2
287.07721	0.8
293.17581	2.3
305.08707	1.0
320.99423	0.2
323.09891	0.9
379.12479	4.9
380.12695	0.5
391.24988	0.3
397.13522	18.5
398.13867	1.7
401.23068	0.4
402.48560	0.3
415.14575	3.8
415.19693	0.4
416.14899	0.5
419.24368	0.3
447.13452	0.4
447.22296	0.3
499.22034	0.3
591.26593	12.8
592.26923	2.5
605.23749	0.3
609.27789	12.1
610.28040	2.4
623.26288	0.3
634.89349	0.2
651.62012	0.3
759.37299	0.3
771.38812	0.3
785.39783	3.4
786.40698	1.0
799.37854	1.0
803.40887	3.5
804.41559	0.7
817.38782	1.6
818.39166	0.8
835.39709	0.3
895.42725	0.8
896.45020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74873	1.1
69.03452	1.1
71.01387	16.1
71.05027	1.5
72.99316	2.8
73.12155	1.3
80.08009	1.0
80.83669	1.1
83.01415	1.6
85.02956	4.0
87.00869	1.9
87.98295	1.1
88.98818	7.1
89.02458	12.0
95.01410	1.5
96.96042	1.3
98.20663	1.7
99.00854	1.2
101.02459	12.7
107.01406	1.9
109.93518	1.2
111.00883	2.3
113.02469	5.2
116.92876	3.5
117.85879	1.0
119.03529	5.7
123.00916	2.5
123.33498	1.0
124.01718	1.4
125.01605	1.7
125.02468	21.2
135.71394	1.1
137.02307	1.1
139.00360	1.3
140.01135	1.8
142.20163	1.0
151.00352	1.1
162.56569	1.0
165.01814	1.3
167.03557	1.6
167.14523	1.7
168.00633	7.3
169.01457	29.3
175.02505	2.5
207.10280	2.4
209.11819	6.3
211.02490	34.2
211.13399	3.4
221.08145	1.9
227.12862	2.6
229.14484	5.3
271.04620	20.9
274.92487	1.3
329.12314	1.3
437.30850	1.5
444.61609	1.3
455.31631	1.3
456.72391	1.3
473.62259	1.3
517.31287	8.9
634.49786	1.1
679.37769	2.4
831.38306	100.0
832.38599	22.7
841.11444	1.6
895.53473	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	893.405
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46186	1.2
69.03461	2.5
71.01386	18.3
72.89079	1.4
72.99300	2.8
73.02928	3.3
80.02667	2.5
81.03473	4.1
83.01405	3.6
83.05042	9.4
84.02164	1.4
85.02952	7.2
87.00887	4.4
88.98822	2.0
89.02457	16.2
95.01410	2.4
95.05043	1.7
97.02961	8.3
99.00897	1.6
101.02461	12.2
109.02943	1.6
109.06610	25.3
111.00916	1.4
113.02472	8.3
116.92858	3.3
119.03481	3.9
119.04975	1.9
121.02962	2.1
125.02448	5.9
125.09727	2.6
135.08173	3.8
136.05283	1.4
142.02718	3.7
150.03255	2.3
161.04581	2.5
161.09676	1.6
163.04073	1.7
163.11308	22.3
165.12849	3.6
179.03520	1.6
179.05569	4.5
181.12328	4.3
195.06635	1.8
207.10275	71.0
208.10536	3.5
209.11836	100.0
210.12207	3.5
221.06625	2.9
221.11707	2.0
225.11340	35.3
227.12895	11.7
235.08183	2.7
268.32382	1.4
379.12430	2.9
397.13525	28.1
398.13708	2.1
399.21664	2.5
415.14526	9.2
417.22668	4.7
487.39771	1.4
531.21521	1.3
587.22992	1.9
596.85474	1.3
605.24719	6.5
607.25830	1.9
611.83441	1.5
623.25623	6.1
650.73230	1.7
797.36127	21.8
798.36475	4.1
815.37170	22.5
816.37946	4.2
833.38293	41.7
834.38538	6.4
893.40320	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	894.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52459	0.9
71.01385	15.3
72.99308	3.1
73.02947	1.0
80.02695	0.8
83.01382	2.6
83.05023	1.3
85.02958	5.0
87.00883	1.6
88.98817	3.4
89.02444	14.5
95.01398	2.2
96.95987	1.1
101.02470	10.8
107.01396	3.2
111.00865	1.5
113.02473	7.6
114.02746	1.0
116.92833	2.2
119.03530	4.6
119.05047	4.3
123.00884	2.5
125.02468	18.4
137.02438	1.3
139.00372	1.3
140.01157	1.6
150.03282	1.3
151.00362	1.4
163.04012	2.8
165.05586	1.5
167.03470	1.2
168.00668	9.8
169.01451	27.0
175.02431	1.5
179.07123	1.1
185.11862	1.2
197.11964	1.0
203.64174	1.0
207.10272	1.6
209.11874	9.4
211.02483	35.5
211.13364	2.3
212.02824	1.7
225.11281	1.1
227.12856	4.4
229.54652	1.1
235.13406	1.0
241.03468	1.5
265.90424	1.0
271.04550	26.1
272.04974	1.6
276.81516	0.9
300.99814	1.8
313.05508	1.7
343.13779	2.0
397.13412	1.7
437.30682	1.5
449.78259	1.0
455.31442	6.9
517.31586	9.4
679.37067	3.7
831.38275	100.0
832.38544	29.7
894.53827	2.0
895.53687	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	889.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	2.4
68.99824	0.3
69.03447	1.1
71.01387	16.1
72.99303	1.2
73.02946	2.5
74.53101	0.2
75.00871	0.3
78.95911	0.3
80.02681	1.0
80.96532	0.6
81.03466	2.0
83.01367	1.9
83.05038	4.2
84.02158	0.6
85.02956	4.4
87.00885	4.3
89.02454	11.5
93.03465	0.4
95.01389	1.3
95.05032	0.8
97.02969	2.6
99.00891	1.1
101.02459	12.5
109.02955	0.3
113.02464	7.0
116.92912	1.3
119.03510	3.0
121.02965	0.5
123.04588	0.3
125.02461	5.7
125.06109	0.7
131.03510	0.7
135.08165	0.6
137.02480	0.3
139.04033	0.4
143.03506	2.5
145.29990	0.3
146.45993	0.3
149.04552	0.4
161.04578	2.5
163.11314	4.1
165.12877	2.1
169.05054	0.3
179.05614	3.4
181.12367	0.8
191.10786	0.8
199.06175	0.4
203.05600	0.3
207.10289	0.4
209.11836	100.0
210.12175	5.3
217.07150	0.6
221.06656	1.2
227.12894	12.7
228.13161	0.7
230.00224	0.3
235.08228	5.3
236.96048	0.3
245.06433	0.3
251.12827	0.5
253.09250	0.5
259.08157	0.6
263.07623	0.5
281.24850	59.8
282.25174	5.9
287.07712	1.7
289.22266	0.3
295.26379	0.6
305.08829	2.1
323.09793	0.9
379.12433	8.5
380.13004	0.6
397.13513	41.9
398.13858	3.0
408.18210	0.3
415.14566	8.1
416.14780	0.7
418.70236	0.3
422.53934	0.3
589.25256	0.7
606.00281	0.4
607.26044	1.1
661.39172	0.6
679.39105	1.6
871.52344	0.4
889.51373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.4
62.49078	0.6
69.03481	1.1
71.01384	17.8
71.72450	0.8
72.99299	1.5
73.02951	2.4
78.95904	0.7
79.95742	0.8
80.96511	1.1
81.03471	1.1
83.01402	1.8
85.02956	5.1
87.00893	5.1
89.02466	12.8
95.01387	1.1
96.96029	2.3
97.02969	3.1
99.00893	1.3
101.02459	13.2
111.04562	0.6
113.02463	8.2
116.92876	0.9
119.03503	3.6
123.00851	0.8
125.02477	7.7
125.09749	0.7
127.11292	2.3
139.03947	0.6
143.03493	2.7
152.99603	0.8
153.09238	0.6
161.04585	4.5
165.01984	0.7
171.10286	100.0
172.10619	4.8
179.05663	3.4
197.11815	1.7
209.11829	4.1
210.12215	1.1
217.07167	0.9
221.06624	1.8
235.08243	6.5
253.09224	1.7
253.21660	0.8
259.08170	1.3
277.21722	66.8
278.22083	6.3
281.24799	0.7
287.07675	2.4
305.08755	3.0
309.17343	6.1
319.22787	0.7
322.71725	0.7
323.09787	1.5
332.77850	0.6
357.00571	0.6
369.78470	0.7
379.12524	16.4
380.12952	1.7
397.13516	46.0
398.13712	4.0
415.14462	8.6
551.23413	4.2
569.24762	3.1
657.35162	1.9
675.36359	4.5
815.53534	1.1
889.48016	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	888.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98527	0.2
62.99294	0.1
71.01395	0.3
71.73058	0.1
80.37568	0.1
85.02998	0.1
87.00853	0.1
89.02463	0.2
96.96069	0.1
101.02434	0.1
109.92618	0.1
110.35963	0.1
118.60117	0.1
138.96303	0.1
159.36880	0.1
159.62929	0.1
180.04337	0.1
195.06673	0.2
209.11850	0.3
248.92014	0.1
270.23047	0.1
416.46060	0.1
440.32324	0.1
441.32806	0.1
442.33548	0.1
484.31735	0.2
485.31723	0.1
486.32419	0.1
501.32349	1.0
502.32608	2.4
503.32861	2.0
504.33102	1.7
505.33118	0.1
543.34039	0.1
544.33350	0.1
545.34125	0.1
663.38110	0.3
664.37787	0.3
665.38202	0.5
666.38348	0.9
667.38336	0.1
888.42584	2.8
889.43164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	4.5
62.39294	0.4
69.03460	0.9
70.82504	1.1
70.82874	1.1
71.01386	19.6
72.99301	2.3
73.02587	0.5
73.02933	2.8
73.54440	0.5
78.95901	1.2
80.02724	0.6
80.96520	0.7
81.03466	1.4
83.01391	2.2
83.05046	1.2
85.02960	4.9
87.00896	5.3
89.02452	13.5
95.01386	2.2
97.02946	3.1
99.00923	1.1
101.02455	14.2
101.03082	1.1
102.02825	0.7
111.04521	0.6
113.02459	9.3
116.92896	2.0
119.03532	3.7
124.01611	0.5
125.02457	6.9
125.09731	1.4
127.04052	0.6
127.11314	2.1
131.03508	1.2
139.04048	0.8
141.01868	0.6
143.03548	2.8
143.04459	0.5
149.04613	0.7
152.99602	0.5
153.09175	0.6
161.04597	4.3
163.11279	0.6
171.10284	100.0
172.10626	5.4
179.05679	4.2
181.87236	0.6
185.11789	0.5
199.06108	1.2
203.05836	0.4
207.10008	0.5
209.11848	15.9
210.12172	7.6
211.02040	0.5
211.12434	1.8
217.07208	1.9
221.06670	2.1
227.12859	1.6
235.08238	7.1
236.08487	0.5
253.09229	1.0
253.21651	0.6
259.08276	1.3
277.21722	55.1
278.22089	6.0
279.23318	5.3
280.23624	4.1
281.24210	1.9
287.05011	0.6
287.07501	2.9
305.08688	2.6
307.19052	0.6
323.09729	1.2
379.12485	16.4
380.12827	1.9
397.13513	42.2
398.13861	6.1
399.14102	1.8
415.14459	7.2
416.14917	0.6
459.10822	0.6
551.23193	5.4
552.23700	0.7
569.24500	5.2
570.24939	0.9
645.27399	0.6
657.34735	1.9
658.35699	0.7
675.36023	3.3
876.92505	0.6
889.47913	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	887.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	1.7
71.01384	2.2
71.72631	0.2
73.02948	0.4
78.95883	0.2
80.02682	0.7
81.03472	1.0
83.01411	0.3
83.05034	3.7
84.02172	0.4
85.02969	0.4
87.00883	0.3
89.02445	1.3
95.01379	0.2
95.05035	0.4
96.96043	0.7
97.06641	0.2
101.02466	1.7
109.06573	0.3
113.02448	1.0
116.92899	1.9
117.92939	0.2
119.03488	0.3
119.05052	0.1
121.02997	0.2
125.02478	0.5
125.06097	0.4
125.09721	0.2
135.05925	0.1
135.08177	0.5
143.03522	0.2
145.05046	0.3
149.09683	0.1
154.87358	0.1
161.04550	0.7
163.11313	3.0
164.11693	0.2
165.01927	0.3
165.12877	2.1
166.13284	0.2
167.23720	0.2
169.01471	0.2
169.12404	0.2
171.10269	0.4
179.05586	0.2
181.12320	0.4
183.13918	3.4
184.14270	0.3
185.11896	0.4
191.10744	0.8
195.06740	0.1
195.13918	3.0
196.14235	0.2
197.11949	0.2
199.13446	0.7
207.10254	0.4
209.11839	100.0
210.12190	6.6
211.13467	1.0
213.14967	15.5
214.15334	1.1
225.11279	0.4
227.12894	14.0
228.13252	1.0
235.08195	2.0
235.10345	0.2
247.13441	0.2
249.14830	0.2
253.09291	4.6
254.09500	0.3
265.14520	0.2
300.99615	0.3
305.15170	0.2
321.35556	0.1
397.13416	0.2
401.23456	0.3
419.24457	0.3
427.19601	0.2
429.88760	0.2
445.20825	4.3
446.21161	0.5
453.21414	0.1
463.21750	0.6
637.32281	1.7
638.32794	0.4
655.33258	1.0
656.33270	0.3
672.93335	0.2
673.33289	0.3
673.42999	0.2
777.24670	0.2
887.41595	0.3
910.21716	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
63.02399	1.1
65.00321	0.8
75.04485	0.2
79.01878	0.2
83.01399	0.6
91.01907	0.3
93.03468	1.8
95.01399	0.4
96.96029	0.3
100.30888	0.2
107.01400	2.6
109.02970	0.5
117.03481	9.5
118.03805	0.2
119.01479	0.2
119.05040	3.2
121.02966	0.6
121.84824	0.2
123.00857	0.2
125.02483	0.2
130.04280	0.2
131.05067	0.4
132.02205	0.3
133.02960	0.2
135.00880	0.7
141.07089	0.2
143.05054	1.2
145.02975	33.9
146.03290	1.3
151.00398	4.1
153.01971	0.5
154.04245	0.4
155.05040	0.4
156.05763	0.3
157.03024	0.2
157.06606	0.8
158.03732	0.3
159.04515	1.5
163.00395	2.3
163.04016	2.3
164.01106	0.5
165.01968	0.4
167.05020	0.7
168.05870	0.2
169.01428	1.0
169.06599	0.9
171.04503	0.8
173.02484	0.4
173.06052	0.4
174.03183	0.2
182.03754	0.3
183.04538	1.3
184.05292	0.3
185.02562	0.3
185.06104	1.9
187.04016	2.9
189.05617	1.1
190.99918	0.2
192.00671	0.2
195.04541	0.7
196.00055	0.2
197.06111	1.1
199.03946	0.6
201.05589	0.5
209.11803	0.4
210.12036	0.2
211.03987	2.0
212.04636	0.3
213.05562	2.0
214.02663	0.3
215.03448	0.5
223.04062	0.3
227.03506	10.0
228.03951	0.7
229.05035	8.9
230.05360	0.5
239.03452	1.3
240.04292	0.6
241.05034	1.5
243.02896	0.5
255.02980	20.0
256.03583	2.7
257.04562	6.1
257.07300	0.2
258.04742	0.4
267.02899	0.6
268.03671	0.3
271.06091	0.2
283.02478	4.7
283.05423	0.3
284.03253	16.8
285.04034	82.8
286.04382	4.9
289.07309	0.3
309.07660	0.4
331.08038	0.3
391.10330	0.3
411.07471	0.2
490.33698	0.2
495.12729	0.5
537.13898	1.5
659.14178	2.4
660.13983	0.3
677.15326	8.3
678.15826	1.2
823.19025	28.1
824.19275	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	886.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98535	0.2
71.01395	0.8
71.45987	0.1
72.59138	0.1
72.99310	0.1
73.02968	0.1
75.00854	0.1
78.95923	0.1
79.95758	0.1
85.02984	0.2
87.00932	0.1
88.98813	0.1
89.02431	0.4
93.03472	0.1
96.96027	0.2
101.02475	0.3
113.02494	0.2
116.92908	0.1
119.03526	0.2
121.02945	0.1
124.28062	0.1
125.02508	0.2
132.83522	0.1
150.03297	0.1
163.11325	0.1
163.35861	0.1
165.01944	0.1
165.05563	0.1
169.01436	0.2
179.03418	0.1
195.06647	0.1
207.10333	0.2
209.08282	0.2
209.11852	0.7
210.12157	0.1
225.11403	0.3
227.12961	0.1
376.78549	0.1
397.13425	0.1
405.27979	0.1
406.28461	0.2
415.14841	0.1
421.31223	0.2
422.31448	0.4
439.32489	0.3
440.32568	0.4
483.31192	0.1
484.31442	0.2
499.30688	0.7
500.30942	1.6
501.32034	5.1
502.32462	9.1
503.32632	0.9
543.33496	0.3
544.33435	0.4
661.35968	1.9
662.36450	1.1
663.37268	2.8
664.37769	9.5
665.38013	1.1
665.47418	0.1
682.39307	0.2
833.37695	0.1
886.41302	1.8
887.41260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.02408	0.8
65.00341	0.7
70.11060	1.2
83.01400	0.7
91.01918	0.2
92.76331	0.2
93.03465	1.4
93.12941	0.2
95.01390	0.3
96.96028	0.3
97.69552	0.2
107.01382	2.0
108.02209	0.3
109.02960	0.6
116.92865	0.5
117.03481	6.8
118.03831	0.5
119.05032	2.7
121.03000	0.3
131.05070	0.3
131.74191	0.2
133.02951	0.3
135.00894	0.8
137.02434	0.2
143.05028	0.8
145.02965	28.2
146.03275	1.4
151.00383	3.7
153.02019	0.3
154.04222	0.4
156.05855	0.4
157.06570	0.5
158.03793	0.2
159.04547	1.1
163.00371	1.4
163.04001	1.7
164.01154	0.6
166.02397	0.3
167.04977	0.5
169.01442	0.7
169.06615	0.7
171.04558	0.8
173.02562	0.3
183.04597	0.7
184.05225	0.3
185.06116	1.9
187.03986	2.2
189.05551	0.8
195.04475	0.4
196.05168	0.2
197.06125	0.6
198.03204	0.3
199.04050	0.7
201.05579	0.5
211.04004	1.8
212.04604	0.5
213.05562	1.7
215.03487	0.4
222.00665	0.2
223.03999	0.3
226.73912	0.2
227.03503	8.1
228.03978	0.5
229.05058	6.3
230.05336	0.7
239.03523	1.2
240.04195	0.6
241.05016	1.3
243.03026	0.2
255.02972	15.3
256.03580	2.6
257.04498	4.8
258.04874	0.7
267.02917	0.6
283.02469	3.7
284.03250	13.3
285.04025	77.0
286.04376	6.5
309.07550	0.3
331.08215	0.4
495.13031	0.4
537.13953	1.7
659.13873	2.6
660.14496	0.5
677.06012	0.2
677.15240	8.8
678.16003	1.7
823.18982	27.9
824.19354	9.0
824.31287	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	885.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98555	1.0
61.98828	12.2
65.93008	1.0
69.03452	4.2
71.01382	40.7
71.04990	0.9
71.66199	1.2
72.01688	1.0
72.99297	3.7
73.02950	6.9
75.00880	1.4
79.95733	0.8
80.02672	1.0
81.03449	4.2
83.01400	6.5
83.05011	4.1
84.02145	1.6
84.73491	0.9
85.02959	10.1
87.00885	8.6
87.65826	0.8
89.02448	32.1
91.04005	0.8
95.01380	4.1
95.05047	1.7
95.31477	0.9
96.96031	5.7
97.02965	6.2
97.06593	3.8
99.00880	3.3
99.04504	1.3
101.02454	28.1
108.62578	0.9
109.02960	0.9
109.06627	1.9
111.00885	1.5
111.04494	1.7
111.08158	2.1
113.02462	18.7
115.00372	1.0
116.92864	5.6
119.03519	8.3
123.04550	1.0
125.02457	12.8
125.06137	0.8
125.09734	3.9
131.03500	2.0
133.01398	1.1
133.05038	1.0
135.08138	1.4
137.09679	1.5
139.04025	0.9
141.01851	1.6
143.03526	5.1
149.04555	1.4
151.11208	1.0
159.02925	0.8
161.04581	8.1
163.11314	5.1
165.12849	4.6
167.03488	1.6
167.10748	1.1
169.12366	1.0
171.10277	5.4
179.05608	9.3
181.12318	2.5
183.13907	8.7
185.11798	2.5
191.10811	2.3
191.14494	1.2
193.12286	4.5
195.13899	8.4
197.11821	5.1
199.13396	26.3
200.13652	1.0
201.01935	0.8
203.03714	0.8
207.10272	2.7
209.08907	1.1
209.11832	69.7
210.12198	5.3
211.13394	80.9
212.13777	5.8
213.32335	0.8
221.06679	4.0
223.13351	5.5
225.11330	3.1
225.14915	3.9
226.12064	1.6
227.12892	68.8
228.13293	5.3
229.14430	3.5
235.08212	11.5
241.14478	7.8
243.15948	2.8
245.13902	2.3
245.18915	1.4
248.03363	1.4
249.03952	2.8
253.09238	10.9
259.08023	0.9
263.07495	0.9
263.20062	1.6
275.01828	1.6
275.20102	6.4
276.20538	0.9
277.21710	64.5
278.22012	8.4
287.07727	1.8
289.18106	10.5
290.18423	1.4
291.19623	5.0
292.19830	0.9
293.21204	100.0
294.21530	9.3
300.99762	3.1
301.03098	1.1
305.08722	2.5
307.19083	8.6
308.19492	1.2
309.20767	5.4
321.20782	0.9
323.09741	1.7
341.23297	25.8
342.23618	2.7
379.12460	9.3
380.12915	0.9
397.13510	77.6
398.13824	8.3
415.14557	21.6
416.14886	2.0
469.33264	3.8
472.14136	0.9
487.34119	1.5
531.54272	1.0
591.26355	2.4
607.25964	11.2
608.26422	1.5
609.27960	5.0
610.27991	1.1
625.27185	13.1
626.27228	1.9
673.34613	2.0
691.35358	3.2
867.47760	1.5
885.48633	19.0
886.48529	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	885.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	0.3
67.01875	0.2
68.99812	0.2
69.03449	1.3
70.84953	0.4
71.01385	17.4
71.05026	0.2
72.01735	0.2
72.99306	1.1
73.02949	2.7
75.00869	0.2
76.11031	0.1
80.02676	1.3
81.03460	2.0
83.01393	2.2
83.05034	5.4
84.01762	0.1
84.02163	0.7
84.05409	0.1
85.02958	3.8
86.00103	0.1
87.00884	4.2
89.02454	13.0
90.02789	0.2
91.04053	0.3
93.03465	0.3
95.01413	1.4
95.05035	0.6
97.02953	2.6
97.06598	0.2
99.00891	1.1
99.04533	0.4
101.02454	12.3
102.02788	0.4
107.05046	0.2
109.02966	0.4
109.06595	0.4
111.00861	0.2
111.04549	0.4
111.08198	0.2
113.02460	6.7
113.66997	0.1
114.02792	0.2
115.04025	0.4
119.03513	3.2
121.03010	0.3
121.06493	0.1
123.04541	0.2
124.01670	0.2
125.02466	5.6
125.06107	0.4
125.09769	0.2
126.02736	0.2
127.04004	0.2
127.07637	0.2
129.65115	0.1
131.03479	0.7
133.05081	0.4
135.08174	0.7
139.04059	0.3
139.07712	0.2
141.01968	0.3
143.03517	2.3
145.05069	0.4
149.04581	0.4
156.65823	0.1
161.03215	0.2
161.04584	3.8
163.11307	4.2
164.11638	0.3
165.12852	2.2
166.12907	0.1
167.03485	0.4
169.05098	0.2
172.03091	0.1
179.05637	3.4
180.05815	0.1
181.12396	0.7
185.04475	0.3
187.63907	0.1
191.10747	1.0
199.06100	0.4
199.13374	0.1
207.10257	0.3
209.11844	100.0
210.12173	6.1
217.07152	1.0
221.06696	1.3
222.06918	0.1
225.11363	0.2
227.12895	12.1
228.13190	0.9
233.22758	0.2
235.08229	4.7
235.10625	0.3
236.08556	0.2
245.06610	0.3
251.12862	0.4
253.09331	0.7
259.08224	0.4
259.20523	0.3
263.07675	0.4
275.20102	0.3
277.21716	51.1
278.22055	5.2
287.07733	2.0
291.23062	0.3
301.09222	0.2
305.08755	1.9
319.22888	0.3
323.09882	0.8
361.11325	0.3
379.12460	7.0
380.12769	0.4
397.13513	38.3
398.13885	3.5
415.14563	8.6
415.20282	0.2
416.14941	0.6
589.24988	0.8
607.26031	0.9
608.26477	0.3
622.97412	0.1
657.35223	0.2
675.35754	0.7
676.35950	0.2
885.48065	0.5
886.48383	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	885.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.4
65.03956	0.1
67.01891	0.1
68.99821	0.2
69.03454	1.0
71.01382	13.3
71.05018	0.2
72.01728	0.1
72.99310	1.1
73.02950	2.3
74.22861	0.1
75.00880	0.4
80.02679	1.0
81.03014	0.1
81.03461	1.8
83.01394	1.7
83.05032	5.3
84.02173	0.7
85.02958	3.2
87.00877	3.2
87.04513	0.1
87.77901	0.1
89.02448	10.6
90.02798	0.2
91.04025	0.2
93.03462	0.4
95.01399	1.1
95.05031	0.8
97.02958	2.3
97.06602	0.2
98.14822	0.1
99.00887	0.8
99.04547	0.2
101.02451	9.8
102.02786	0.3
103.04040	0.1
106.04261	0.1
107.05053	0.1
108.02240	0.1
109.02964	0.3
109.06602	0.3
111.00870	0.2
111.04541	0.4
111.08167	0.2
113.02457	6.0
115.04011	0.2
119.03515	2.6
121.02975	0.2
123.00912	0.1
123.04559	0.1
125.02459	5.1
125.06070	0.5
125.09741	0.2
125.36549	0.1
126.02779	0.1
127.04018	0.2
127.07684	0.1
127.11362	0.1
129.02089	0.1
131.03540	0.6
133.05072	0.3
135.04568	0.1
135.08173	0.6
137.02483	0.2
139.03993	0.5
141.01990	0.3
143.03499	2.0
145.05045	0.1
147.11812	0.2
149.04562	0.3
161.04576	2.8
162.04913	0.1
163.11304	4.1
164.11630	0.2
165.11542	0.2
165.12863	2.5
166.13231	0.1
167.03502	0.3
169.05043	0.1
173.09740	0.1
179.05620	3.5
181.05049	0.2
181.12413	0.6
185.04608	0.2
191.10812	1.2
192.11221	0.1
199.06151	0.4
199.13469	0.1
203.05629	0.2
207.10257	0.1
209.11832	100.0
210.12160	6.7
211.13406	0.1
217.07147	0.7
219.05063	0.2
221.06621	1.1
223.13383	0.2
225.11313	0.1
227.12888	10.5
228.13246	0.6
229.77072	0.1
233.22861	0.1
235.08205	4.5
236.08542	0.2
245.06662	0.3
251.12909	0.7
253.09250	0.8
259.08237	0.3
259.20602	0.2
263.07593	0.5
269.06638	0.1
269.13818	0.1
275.20203	0.2
277.21704	41.6
278.22061	4.1
278.25180	0.2
287.07733	1.6
288.08154	0.1
291.23242	0.3
301.09235	0.2
305.08810	2.0
319.22824	0.1
323.09845	0.9
361.11401	0.2
379.12448	6.4
380.12711	0.6
380.17026	0.1
397.13510	30.0
398.13812	2.2
413.18054	0.2
415.14554	7.6
416.15051	0.7
469.12741	0.1
497.20462	0.3
589.24896	0.6
590.25116	0.1
607.26093	1.5
608.26563	0.3
625.27368	0.1
657.35278	0.2
675.36530	0.3
676.37219	0.1
709.14801	0.1
728.88843	0.1
885.48529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98853	0.6
64.13810	0.1
71.01387	2.7
71.05035	0.3
71.06193	0.4
72.99330	0.3
73.02988	0.2
83.01440	0.2
85.02950	0.8
89.02458	2.3
89.02967	0.1
95.01437	0.4
96.34956	0.1
99.91773	0.2
101.02449	1.5
101.02961	0.1
113.02468	1.3
119.03542	0.6
124.81718	0.1
143.03513	0.2
159.03142	0.1
161.04575	0.2
171.10239	0.1
179.05617	0.6
201.90514	0.1
209.11819	0.4
210.12277	0.2
226.40672	0.1
341.39191	0.1
352.72144	0.1
379.29883	0.3
421.31116	0.9
422.31693	0.2
423.29202	0.2
438.31854	0.2
439.32162	4.1
440.32455	0.6
455.31656	0.5
457.33044	0.3
462.19208	0.1
483.31189	5.1
484.31464	0.8
494.75195	0.2
501.32199	100.0
502.32538	18.1
502.40173	0.3
543.33228	4.1
544.33533	0.6
573.34320	0.2
645.37671	0.2
663.37592	28.0
664.37946	6.0
681.38641	0.4
825.42615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	3.0
69.44557	2.0
71.01387	6.4
72.99332	0.4
73.02952	0.3
83.01418	0.3
83.05042	0.2
85.03005	0.8
85.04125	0.2
87.00918	0.3
89.02452	2.3
95.01405	0.3
101.02459	2.0
109.06644	0.4
113.02475	1.2
119.03574	0.7
123.00943	0.2
125.02505	0.6
131.32475	0.2
142.95703	0.2
149.02582	0.2
150.03290	0.2
156.57632	0.2
161.04596	0.3
163.11357	0.4
165.05650	0.3
169.01546	0.4
171.10323	0.6
179.05658	0.6
181.12398	0.4
195.06639	0.3
199.13353	0.2
201.11311	0.3
207.10333	1.5
209.11844	4.3
210.12161	0.4
225.11351	1.3
227.12898	0.7
275.02155	0.2
300.99988	0.3
397.13394	1.0
403.26218	0.3
407.29630	0.2
415.14099	0.3
419.29434	0.9
437.30774	0.6
439.28601	0.3
451.28253	0.4
454.30481	0.5
455.31650	1.1
481.29724	0.7
486.30399	0.3
499.30634	100.0
500.30997	12.6
541.31592	3.2
542.32269	0.5
548.16864	0.2
571.32617	0.4
584.71741	0.2
661.35999	80.5
662.36401	12.6
833.38483	0.4
883.43298	0.3
884.41998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	2.1
71.01385	3.1
71.05048	0.2
72.99313	0.3
73.02966	0.1
78.95931	0.2
80.96532	0.1
83.01412	0.2
85.02954	0.7
87.00903	0.2
88.98829	0.2
89.02455	2.9
89.02992	0.2
95.01427	0.3
96.96008	0.2
98.19907	0.2
101.02462	1.7
109.06636	0.1
113.02461	1.4
116.92924	0.1
119.03510	0.8
121.02973	0.2
125.02457	0.2
131.34921	0.1
136.05966	0.1
143.03520	0.2
149.04546	0.1
150.03284	0.1
151.04050	0.1
161.04611	0.2
169.01534	0.1
171.10315	0.1
179.05638	0.6
179.07039	0.1
191.03357	0.1
195.06647	0.2
207.10312	0.1
209.04539	0.1
209.11836	0.8
210.12247	0.2
211.13451	0.1
227.13094	0.1
275.01981	0.1
301.00043	0.2
375.26718	0.2
391.30304	0.3
393.31610	0.3
403.29733	0.1
409.31174	0.2
421.31128	0.8
422.31445	0.2
423.28690	0.1
425.71494	0.1
437.30630	0.3
438.31406	0.6
439.32153	4.6
440.32516	0.8
455.31723	0.7
457.33279	0.3
471.31012	0.2
483.31183	4.7
484.31558	0.9
497.31992	0.1
499.29971	0.1
501.32175	100.0
502.32526	19.4
525.32819	0.1
543.33209	4.3
544.33301	0.8
573.34106	0.2
600.83057	0.1
645.36957	0.2
663.37555	34.6
664.37915	8.8
681.38379	0.6
682.38373	0.1
825.42761	0.6
826.43732	0.3
885.41296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	5.6
71.01394	5.6
71.74500	0.2
72.99335	0.5
73.02947	0.3
75.00890	0.3
78.95942	0.3
80.96539	0.2
83.01408	0.2
83.05048	0.3
85.02976	0.6
87.00910	0.6
88.98817	0.2
89.02474	2.0
96.96035	0.4
97.02975	0.3
99.00900	0.4
101.02476	1.3
107.01477	0.2
109.06638	0.3
111.00896	0.2
112.98849	0.8
113.02459	0.9
119.03532	0.5
119.08675	0.2
121.02981	0.4
125.02486	0.5
128.76889	0.2
135.04626	0.2
147.39024	0.2
149.02486	0.2
150.03252	0.4
151.04141	0.3
163.11363	0.4
165.05612	0.3
165.12921	0.2
169.01425	0.4
171.10315	0.4
173.13127	0.2
173.48119	0.2
179.05675	0.4
181.12447	0.3
191.03534	0.2
195.06703	0.3
207.10303	0.9
209.11853	4.8
210.12180	0.5
211.13429	0.3
225.11368	0.8
227.12886	0.7
231.10588	0.2
235.08093	0.3
253.09323	0.4
270.05115	0.2
273.16940	0.4
274.17606	0.2
275.01941	0.4
301.00101	1.0
315.05164	0.2
327.21851	0.5
350.87778	0.2
383.89896	0.2
397.13477	0.8
403.26178	1.1
407.26065	0.3
415.14236	0.2
419.29614	3.0
420.30026	0.7
423.28726	0.3
427.35742	0.2
437.30719	2.8
438.30972	0.3
451.28162	0.9
453.30222	0.3
454.30679	0.3
455.31677	2.5
456.32257	0.5
465.52249	0.2
481.29596	3.6
482.29910	0.4
499.30643	100.0
500.31003	16.1
538.61877	0.2
541.31647	5.1
542.32117	0.9
571.32556	0.3
601.34399	0.2
661.36029	37.5
662.36346	8.0
721.41925	0.2
823.40704	0.2
833.38043	0.3
834.38306	0.2
883.39081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98531	0.2
71.01402	0.2
71.71630	0.1
80.96545	0.1
85.02976	0.1
88.98832	0.1
89.02461	0.1
95.38386	0.1
96.96034	0.1
101.02457	0.1
103.62578	0.1
114.49845	0.0
116.92910	0.1
121.75291	0.0
125.02440	0.1
135.03021	0.1
183.14023	0.1
209.11868	0.5
210.12173	0.1
211.13562	0.4
212.13785	0.2
224.61739	0.1
227.12895	0.1
299.93787	0.1
300.99945	0.1
352.61630	0.1
397.13489	0.2
398.13742	0.1
588.65820	0.1
625.48804	0.1
687.94000	0.1
726.89636	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	881.515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	8.4
65.60815	0.4
68.99842	0.7
69.03461	1.2
70.20367	1.6
70.20789	1.1
71.01388	25.3
72.01708	0.6
72.99297	2.6
73.02949	4.2
75.00858	0.4
78.95914	0.8
80.02674	1.2
81.03470	2.1
83.01385	2.8
83.05039	4.0
85.02962	5.6
87.00883	5.9
89.02454	20.0
93.03442	0.6
95.01408	1.6
95.05038	0.7
97.02964	3.5
97.06549	0.5
99.00889	1.8
101.02455	19.6
102.02809	0.6
109.06615	1.1
111.04528	0.7
112.01617	0.5
112.98841	0.5
113.02470	10.5
113.03235	0.9
115.00404	0.5
115.03976	0.7
115.22908	0.4
119.03509	5.7
123.04487	0.5
125.02473	8.3
125.06065	0.8
125.09748	2.3
127.11326	3.2
128.11729	0.5
131.03514	0.9
135.08182	0.7
137.09723	0.8
139.04015	0.7
141.01942	0.5
142.99878	1.1
143.03513	3.4
145.05038	0.6
146.33701	0.5
149.02444	0.5
155.10823	1.7
157.05124	0.4
161.04593	4.9
162.04973	0.5
163.11310	2.6
165.09222	1.2
165.12878	2.1
167.03461	1.0
171.10292	4.0
172.10548	1.0
174.01740	1.0
175.02426	0.5
179.05624	4.8
180.40392	0.4
181.12521	0.5
183.10326	0.5
185.04565	0.5
191.10776	1.1
192.37677	0.5
193.81386	0.5
199.06244	0.4
199.09729	1.1
201.11337	72.7
202.11688	4.2
209.11839	100.0
210.12160	6.4
211.13393	1.9
217.07166	1.3
221.06625	2.0
222.25835	0.4
223.13380	0.9
225.11339	1.3
227.12894	15.2
228.13168	0.7
235.08217	7.0
253.09428	2.7
255.23283	76.7
256.23621	7.0
257.23907	0.6
259.08221	0.7
269.24936	0.9
277.21655	2.1
287.07651	2.3
291.19662	0.7
293.21265	3.0
297.24347	0.6
305.08713	3.5
309.20636	1.5
323.09744	1.7
341.10724	0.6
361.11588	0.5
379.07831	1.0
379.12439	13.6
380.12820	1.8
397.13513	64.4
398.13843	6.8
399.13879	0.5
415.14554	12.0
416.15283	1.0
439.34421	0.7
581.24298	3.0
582.24609	0.8
589.24744	2.9
589.33356	0.5
599.25610	1.7
607.25818	2.5
635.36682	2.2
636.37097	0.6
653.37628	10.1
654.37903	1.5
837.49194	1.9
863.46149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	10.7
69.03467	2.3
69.46786	5.9
71.01387	24.4
72.99313	2.9
73.02946	3.6
73.74115	0.6
75.00871	1.4
80.02678	1.5
81.03461	3.0
83.01385	3.6
83.05040	8.7
84.02178	1.6
85.02951	6.4
87.00877	4.9
89.02453	17.7
93.03474	0.7
95.01409	2.2
95.05047	1.3
96.96021	1.2
97.02962	3.2
97.06584	0.9
99.00888	1.8
101.02456	18.8
107.01418	0.8
108.02192	1.0
109.02959	2.5
109.06563	1.1
111.00912	1.9
111.04571	0.9
113.02477	7.8
116.92870	1.3
119.03518	4.0
119.05038	1.1
120.99704	1.4
121.02956	1.5
123.00856	2.1
125.02462	6.2
125.06113	1.7
129.01942	1.0
135.03043	0.8
135.08179	1.1
135.97649	0.7
136.01628	1.1
137.02414	1.2
143.03514	2.1
145.02963	1.6
149.02475	1.3
150.03235	3.1
151.00388	1.5
151.04057	1.5
151.11276	1.8
152.01120	0.8
153.01932	2.8
153.09294	0.7
153.12817	1.3
161.02448	1.1
161.04573	2.3
163.03986	1.0
163.11311	6.5
165.01926	1.2
165.05559	1.7
165.12831	3.5
166.02722	1.1
167.03484	0.8
167.07172	1.1
169.01414	2.5
169.12363	22.2
170.12654	1.4
171.10271	1.0
177.05455	0.8
179.05557	1.2
179.10805	1.3
180.04362	0.7
181.05164	1.2
181.12367	1.1
191.10837	2.2
195.06580	1.3
197.11847	52.0
198.12186	4.4
199.13438	0.7
207.10426	0.9
209.11839	100.0
210.12143	8.4
221.06664	3.9
223.09897	0.7
227.12909	5.8
235.08217	1.8
253.09383	0.8
255.03070	0.9
285.07651	0.7
292.85492	0.7
300.99860	1.1
343.21356	1.2
375.20270	8.7
376.20450	1.0
397.13431	3.6
415.14655	1.1
464.26443	0.8
819.40472	5.1
832.36920	0.8
849.20868	1.1
849.37970	48.6
850.38391	11.3
881.40680	96.8
882.41046	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	881.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	10.4
63.16011	0.6
65.90042	0.5
69.03466	8.1
69.42313	4.7
69.42728	1.9
71.01389	24.1
71.05035	3.0
72.52106	0.6
72.99324	3.0
73.02946	4.2
74.99074	0.6
75.00877	1.6
78.95927	1.0
80.02682	2.2
81.03463	3.8
83.01408	2.7
83.05032	8.5
84.02192	2.3
85.02960	5.8
87.00898	4.8
88.98824	2.9
89.02461	17.3
89.02988	1.2
93.03457	1.0
95.01391	2.0
95.05042	2.0
96.96074	0.8
97.02948	3.9
97.06616	1.1
98.19866	1.0
99.00903	1.6
101.02460	15.2
108.02193	0.9
109.02984	1.0
111.00903	1.3
111.04559	0.8
113.02486	7.3
115.00394	0.7
116.92892	2.4
119.03522	3.9
119.05040	0.8
121.02944	1.1
123.00920	0.8
123.08181	1.5
125.02462	4.6
125.06082	0.8
125.09737	4.1
131.03548	1.1
135.08151	0.8
136.14502	0.6
137.02475	1.1
137.09760	1.1
143.03525	1.0
149.09729	1.1
150.03224	1.0
151.00456	0.8
151.11281	4.7
153.12868	2.5
154.37331	0.6
161.04581	2.1
161.09766	6.0
163.04079	1.1
163.11287	7.3
165.01929	0.7
165.05666	0.6
165.12889	2.6
175.02501	1.6
175.03966	0.9
179.05644	1.2
179.10796	9.7
181.12433	1.2
183.13989	0.7
191.10847	0.9
193.47591	0.6
197.11848	90.9
198.12196	4.9
209.11842	85.8
210.12134	7.0
221.06717	4.1
223.09769	1.7
225.11336	0.6
227.12903	5.6
229.14529	0.6
235.08226	2.7
237.14937	0.9
241.10809	8.5
253.09219	0.6
301.00067	1.3
397.13696	2.8
415.15057	0.8
453.29922	0.8
497.28864	1.1
639.25958	1.1
659.34497	8.3
660.34686	1.4
731.35327	0.9
849.37988	100.0
850.38348	22.6
881.40588	60.8
882.40973	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	881.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01904	1.7
68.99822	0.4
69.03467	0.9
71.01390	2.6
71.73917	0.3
72.99310	0.4
73.02956	0.3
75.00909	0.3
79.01899	0.5
81.03497	0.4
83.01411	0.5
85.02963	2.2
87.00900	1.0
89.02452	0.4
93.03471	6.7
95.01390	1.3
97.02975	0.5
101.02449	0.8
107.01414	3.2
107.05024	0.6
108.02181	0.9
109.02959	0.8
111.00911	2.3
111.04528	1.3
113.02459	1.1
116.98919	0.3
119.05080	0.9
121.02962	0.8
122.03727	0.3
123.00906	7.4
123.04518	1.2
124.01736	1.3
125.02467	19.8
126.02792	0.5
127.00375	0.7
127.04055	0.3
133.02994	0.8
134.03758	0.8
135.04546	17.6
136.04878	0.7
136.98790	1.2
137.02486	2.6
139.00406	2.9
139.04025	0.8
140.01178	3.0
141.01947	1.1
145.02977	0.5
149.02486	2.3
150.03242	8.9
151.00394	4.9
151.04083	1.5
153.01968	0.6
154.99942	0.3
155.03500	1.3
161.02472	0.9
162.03242	0.5
163.04019	1.1
164.04839	1.0
165.01941	0.7
165.05585	6.1
166.99785	0.4
167.03502	0.3
168.00653	5.3
169.01450	29.9
170.01764	0.7
173.04570	24.9
174.04961	0.6
177.01904	0.8
179.03520	16.6
180.04002	1.1
181.05060	0.4
183.02997	3.5
184.03339	0.3
191.05634	10.3
191.07338	0.6
195.06612	1.2
210.01730	0.4
211.02492	2.2
217.05267	0.4
223.02492	0.6
225.04039	3.3
241.00229	0.6
241.03540	1.0
253.03552	0.6
255.05231	0.4
271.04544	2.2
273.82547	0.3
275.01913	0.3
285.06158	4.4
297.06210	1.0
300.99829	1.4
313.05640	11.7
314.05975	0.7
323.13409	0.6
327.06976	1.2
353.08798	20.8
354.09186	1.1
373.07910	1.7
385.07654	2.9
402.11868	0.3
405.05161	0.7
423.09296	1.0
461.49365	0.3
477.03094	0.4
479.11960	16.3
480.12036	1.7
491.11948	0.5
509.13028	3.1
510.13727	0.3
527.14032	100.0
528.14441	10.5
557.15076	4.9
558.15820	0.5
701.43701	0.3
859.63922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.6
62.85867	0.4
63.96238	2.1
64.12748	0.4
69.03456	1.3
71.01385	10.1
71.69094	0.9
73.02943	2.4
78.95914	0.9
78.98595	7.5
79.84003	0.4
79.95742	25.2
80.27222	0.5
80.96523	100.0
81.03463	1.0
82.96112	0.5
85.02960	4.0
87.00872	3.3
93.97367	0.5
94.98096	22.4
95.01433	0.5
96.96021	1.9
97.02960	2.6
99.00893	0.7
101.02456	3.3
102.16236	0.4
106.98106	5.1
122.97611	6.0
125.02473	4.3
127.04008	1.3
134.97604	7.0
136.99149	1.8
140.86061	0.4
143.68492	0.5
146.97588	0.7
148.99152	8.6
152.49757	0.4
152.98637	7.9
162.36133	0.4
164.98642	16.3
167.00233	0.9
171.10298	0.9
206.99713	4.7
209.11783	0.4
225.00737	29.3
226.01064	1.4
235.86360	0.4
255.23259	2.6
283.05008	1.1
341.05392	0.7
370.10547	0.5
425.15048	0.6
481.14197	0.7
537.27386	2.7
623.27661	0.9
709.38635	7.9
710.38824	1.5
735.40002	3.9
736.40826	0.9
737.38953	1.3
763.40381	1.1
765.41339	1.3
781.40601	4.6
782.41107	1.3
861.46960	0.6
879.50641	96.5
880.51007	29.2
907.62067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	8.1
64.23824	0.3
68.52069	0.3
68.99807	0.8
69.03465	1.4
71.01385	100.0
71.31457	0.9
71.41945	0.3
72.01723	0.8
72.99307	1.5
73.02950	3.6
75.00891	0.6
80.67235	0.3
81.03469	0.9
83.01405	2.0
83.05047	0.8
85.02957	4.3
87.00881	3.9
89.02456	11.4
93.03484	0.5
95.01392	1.5
95.05038	1.0
97.02953	4.8
97.06604	0.4
99.00865	2.3
101.02457	12.0
107.05081	0.3
109.03009	0.4
109.06613	7.4
110.03770	0.8
111.00906	0.6
111.04530	0.7
113.02470	7.1
113.03246	0.7
114.02798	0.4
115.04174	0.3
116.92878	0.8
119.03503	3.6
121.06652	0.7
125.02449	4.0
125.09752	1.3
127.11301	1.0
131.03490	0.5
135.08199	1.2
136.05276	0.7
139.07704	0.5
141.01949	0.9
142.02748	0.9
143.03525	2.6
145.05057	0.5
155.10774	0.6
161.04640	2.1
161.09724	0.7
163.11299	5.3
165.09312	0.5
171.10286	13.1
172.10568	0.7
179.05620	2.6
179.10818	0.4
181.12402	1.8
185.11989	0.8
197.11897	1.0
199.06120	0.5
199.09787	1.0
199.13538	0.4
201.11334	9.9
207.10269	25.8
208.10594	1.5
209.11852	0.5
215.12943	1.2
217.07120	0.4
221.06667	1.2
225.11330	19.2
226.11687	0.8
235.08237	4.7
243.12338	1.7
253.09343	1.1
255.23283	42.6
256.23578	3.0
269.24979	0.7
277.21640	1.6
287.07645	0.8
305.08826	1.5
323.09753	0.8
352.42551	0.4
379.12411	3.0
397.13516	25.7
398.13925	1.5
403.50278	0.3
415.14572	6.2
439.14603	1.3
457.15814	0.8
483.54877	0.4
549.33685	0.5
598.59308	0.5
605.24402	1.9
609.15405	0.4
623.25806	2.7
635.36639	0.6
653.38007	1.2
835.47125	0.7
843.48523	0.5
861.48700	11.6
862.49261	4.3
879.49347	4.4
880.51160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	5.3
64.84602	0.6
69.03468	1.5
71.01387	100.0
71.55988	0.6
72.01720	1.8
72.99319	1.8
73.02953	3.9
75.00902	0.7
78.95930	0.8
80.02699	0.6
80.96524	1.2
81.03474	1.8
83.01385	1.5
83.05061	1.3
85.02953	5.0
85.63563	0.5
87.00442	0.5
87.00885	3.9
89.02457	13.0
95.01392	1.2
95.05048	1.0
97.02979	4.6
97.06605	0.9
98.19867	1.9
99.00896	1.9
101.02456	12.6
101.03086	1.1
109.06602	8.5
110.03783	0.8
113.02451	7.5
113.98537	0.6
119.03512	4.2
123.00876	0.7
125.02427	5.1
125.09742	1.8
127.11282	0.9
131.03485	0.6
135.08180	1.2
141.01961	0.8
143.03523	2.8
155.10820	1.1
161.04587	2.5
161.09683	0.8
163.11316	5.2
165.09224	0.8
167.03554	0.8
171.10284	25.4
172.10640	1.3
179.05611	3.9
181.12366	2.5
185.11856	1.7
189.09258	1.3
197.11823	1.4
199.09767	1.2
199.13457	0.8
201.11325	12.9
207.10286	26.1
208.10629	1.6
209.11826	2.5
215.12935	1.8
221.06728	1.5
225.11327	29.2
226.11766	1.4
229.76848	0.7
235.08221	4.5
243.12392	2.9
245.19205	0.8
253.09268	1.9
255.23291	41.1
256.23538	4.5
263.07565	0.7
263.20453	0.7
287.07751	1.3
293.21271	1.6
305.08929	1.4
307.19254	1.0
323.09866	0.7
379.12445	5.2
380.12814	0.9
397.13516	27.3
398.13907	2.0
415.14661	6.4
416.14896	0.8
439.14972	0.7
551.23474	1.4
605.24689	2.6
623.25751	6.6
624.26501	1.2
635.36700	0.7
641.26495	0.7
653.38416	1.0
654.38489	0.7
721.38666	0.6
835.48364	0.9
861.48712	10.1
862.49786	4.5
879.49133	5.5
880.49677	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	879.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	14.1
63.96237	2.1
68.30879	0.6
69.03475	0.7
71.01385	10.8
71.08039	0.8
71.08373	1.3
72.99314	0.6
73.02952	2.2
74.41204	0.6
78.98592	8.5
79.95743	53.6
80.96522	100.0
82.96120	0.8
83.01373	0.6
85.02948	4.0
87.00886	4.4
94.98093	20.8
96.96013	2.4
97.02957	2.2
99.00880	1.2
101.02457	3.7
102.74268	0.6
106.98109	4.2
111.94743	0.7
121.92627	0.6
122.97575	7.7
125.02464	2.4
134.97589	7.8
136.99203	3.0
148.99162	8.0
152.98659	9.7
164.98647	16.5
171.10257	1.7
174.00545	0.6
188.98570	1.0
206.99644	4.7
223.99918	0.8
225.00740	33.3
226.01088	0.9
241.00261	1.3
243.01816	0.7
255.23257	2.2
256.23944	0.7
281.03476	0.6
283.04950	0.8
341.05472	2.7
355.07135	0.7
411.13232	1.4
425.14774	2.1
453.14456	3.3
481.17383	0.7
498.87860	0.7
537.27301	5.2
538.27179	0.7
552.38812	0.7
553.26453	0.9
607.68628	0.7
609.29669	1.7
623.32233	0.8
637.32813	0.9
679.37952	1.1
709.38550	70.0
710.38873	14.6
737.41547	4.7
738.41394	1.2
765.41089	7.7
766.41553	2.4
781.40582	7.5
782.40808	1.6
879.48126	45.3
880.48517	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	879.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	2.7
63.96238	2.6
64.69761	0.6
69.03471	0.8
69.12999	0.5
71.01389	11.0
71.73922	0.7
73.02951	2.4
74.66054	0.5
78.95934	1.2
78.98604	8.4
79.95745	25.9
80.96526	100.0
81.03465	1.0
83.01385	0.6
85.02956	3.0
86.13437	0.6
87.00884	2.9
94.98095	23.4
96.96023	1.9
97.02957	2.1
99.00890	0.7
99.04533	0.7
101.02446	3.2
106.98110	4.1
106.98718	0.7
113.02496	1.0
122.97615	5.2
125.02463	4.7
127.04004	1.1
133.98193	0.7
134.97607	7.3
136.99162	2.5
145.47319	0.5
148.99155	7.9
152.98656	8.3
155.15987	0.6
164.98643	16.4
167.00145	0.6
179.00192	0.8
188.98747	0.7
206.99738	3.7
225.00748	26.4
226.01068	1.0
255.20847	0.5
255.23317	2.3
283.04919	1.2
476.11624	0.6
537.27222	1.6
623.27008	0.7
641.77539	0.5
709.38647	6.9
710.39404	0.9
735.39990	4.9
736.40759	0.9
737.38263	1.7
763.40009	1.7
765.41718	1.3
781.41046	4.9
782.41168	1.1
793.41010	0.7
836.59576	0.6
861.46912	1.5
879.50592	88.7
880.50989	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	879.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	13.1
62.54285	0.4
66.62683	0.3
69.03466	1.0
69.51313	0.4
71.01384	16.2
72.99304	1.4
73.02950	1.9
80.02679	1.1
81.03469	2.0
83.01406	1.7
83.05036	5.1
84.02167	1.0
85.02944	4.0
87.00880	4.0
88.98806	3.7
89.02450	13.4
95.01400	0.8
95.05035	0.7
97.02975	1.8
99.00899	1.1
101.02451	11.1
102.23478	0.3
111.00920	0.7
111.04557	0.4
113.02457	6.7
114.02725	0.5
115.03960	0.5
118.74957	0.4
119.03490	2.7
124.01714	0.4
125.02446	4.9
125.06090	0.4
131.03490	0.6
131.76151	0.4
135.08148	0.5
141.01970	0.6
143.03473	2.7
158.31096	0.4
161.04561	3.0
163.11308	4.2
165.12834	2.3
167.14481	0.7
171.10260	0.6
179.05626	4.0
181.12404	0.7
183.12317	0.8
183.13875	7.5
191.10843	0.8
193.12373	1.7
209.11835	100.0
210.12173	6.9
211.13393	90.9
212.13766	7.0
217.07080	0.9
221.06676	1.1
225.11409	0.5
227.12883	15.6
228.13229	1.0
235.08234	4.7
236.82040	0.5
249.14857	0.5
253.09361	1.0
259.08200	0.7
287.07736	1.5
305.08951	2.0
310.27597	0.4
323.09799	1.1
364.74115	0.5
379.12442	9.2
379.17307	0.6
380.12665	1.1
397.13513	38.5
398.13846	3.7
415.14621	8.7
416.14929	0.8
485.70334	0.4
545.55603	0.5
589.25085	2.7
590.24988	0.5
591.26556	5.8
592.26416	0.9
607.26111	2.7
608.26715	0.5
609.27814	8.7
610.27911	1.8
783.38617	1.4
801.39685	1.8
802.40289	0.7
816.39246	0.5
879.43378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	0.9
69.03458	4.5
71.01389	13.0
71.05030	1.3
71.31876	0.6
72.99313	1.3
73.02954	1.9
75.00877	0.3
81.03477	0.8
83.01405	1.8
83.05049	0.4
83.82356	0.3
85.02969	3.1
87.00910	2.2
89.02451	9.7
89.02979	0.6
94.70461	0.3
95.01405	1.2
95.05048	0.5
97.02962	2.3
97.06602	0.6
99.00901	1.0
101.02457	9.1
109.02973	0.4
111.00922	0.5
111.04553	0.3
113.02467	3.7
116.92883	0.4
117.75870	0.3
119.03525	1.8
120.83797	0.3
121.02975	0.3
123.08186	0.9
125.02485	2.0
125.09751	2.0
129.21754	0.3
131.03459	0.3
137.02414	0.3
143.03528	0.8
149.09785	0.3
151.11333	2.7
153.12859	0.7
161.04546	1.3
161.09755	3.1
169.89392	0.3
176.88167	0.3
178.67412	0.3
179.05643	0.5
179.10789	5.3
197.11844	38.5
198.12183	1.3
209.11797	1.0
221.06691	1.5
223.09729	1.0
235.08229	1.3
241.10806	2.3
255.23296	46.9
256.23648	3.1
262.27209	0.3
275.01437	0.3
379.12427	0.6
397.13483	2.8
415.14825	0.5
426.64462	0.3
438.49445	0.3
574.42767	0.3
621.23999	0.5
859.47925	0.4
877.48297	100.0
878.48694	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	877.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	2.8
64.55157	0.7
64.61147	0.6
66.74125	0.8
69.03462	3.3
71.01383	17.6
71.05007	2.0
71.67248	0.6
72.99300	1.3
73.02943	1.8
78.95934	1.0
83.01401	1.7
85.02972	3.9
87.00888	2.1
89.02443	11.6
95.01377	1.6
97.02946	2.3
97.06598	0.9
99.00867	1.5
99.92568	1.4
101.01845	1.1
101.02456	10.6
109.02937	1.5
111.04524	1.1
113.02454	3.8
116.92881	0.8
119.03500	3.0
123.08199	0.9
125.02444	2.7
125.09702	1.4
131.03491	0.8
133.05171	0.6
143.03496	1.0
151.11320	1.6
153.01942	1.4
153.12852	1.7
161.04567	1.3
161.09717	2.2
171.10275	1.3
179.05606	1.2
179.10803	5.5
197.11839	58.5
198.12163	3.0
209.11772	3.4
210.12195	0.8
221.06596	3.1
223.09741	3.0
235.08104	1.0
241.10820	4.6
255.23277	31.5
256.23599	3.9
268.23743	1.0
370.52368	0.7
386.33978	0.8
397.13715	3.7
415.14423	1.1
859.47198	1.7
877.48254	100.0
878.48572	31.4
901.08356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01648	8.7
61.98836	52.9
63.64342	9.1
71.69760	12.7
71.70135	9.0
78.95905	9.7
106.45568	9.0
112.67663	9.9
116.92884	78.1
117.92860	14.9
137.20409	8.5
161.04527	11.6
197.11775	24.5
211.13393	9.9
253.09299	21.8
277.21759	13.7
291.19641	23.4
309.20706	100.0
310.21191	14.8
471.34674	38.3
472.34802	10.0
873.47626	60.6
874.49115	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	875.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	3.8
69.03436	4.3
71.01389	19.8
71.05048	0.8
72.99348	1.9
73.02960	2.7
75.00933	1.0
78.95904	0.7
81.03513	1.2
83.01441	2.2
83.05078	1.3
85.02969	3.9
87.00883	4.8
88.98818	3.7
89.02455	18.6
93.03513	0.6
95.01444	1.2
95.05054	0.6
97.03017	2.5
97.93490	0.6
98.20652	0.8
99.00918	1.0
99.75662	0.5
101.02457	13.9
103.00473	0.8
104.57197	0.5
109.06660	0.9
113.02465	8.2
113.03214	0.6
115.22076	0.6
116.92860	4.4
117.92889	0.7
119.03516	4.8
125.02469	6.1
131.03563	0.9
137.02606	0.6
139.04045	0.7
143.03528	3.4
155.10780	0.7
161.04572	5.2
167.10803	3.4
167.14420	0.6
172.08260	0.7
179.05614	5.4
179.10832	1.1
179.14384	2.8
181.12347	0.5
181.46181	0.6
183.13902	8.6
193.12407	1.7
195.13902	8.8
205.12331	10.1
206.12526	1.0
207.10289	2.5
209.11789	2.7
211.13411	100.0
212.13733	5.9
221.06607	2.0
223.13397	81.7
224.13780	5.4
225.11263	0.7
235.08234	5.1
253.09140	1.5
287.07678	1.2
301.09311	0.5
305.08630	1.7
309.20471	0.8
323.09802	2.3
341.87955	0.5
379.12439	8.0
380.12646	1.1
397.13541	38.1
398.13965	2.6
415.14499	6.2
417.26248	1.1
580.59747	0.6
591.26727	9.1
592.26648	1.1
603.17462	1.0
603.26691	15.3
604.26624	2.4
609.18719	1.0
609.27753	10.9
610.27484	1.7
615.86493	0.7
621.18256	0.8
621.27814	14.0
622.27625	2.1
623.59668	0.6
771.37683	1.0
797.39752	6.8
798.39301	2.3
815.40741	8.2
816.40460	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	871.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	4.4
69.03467	3.0
70.82165	0.4
71.01385	8.3
71.04990	0.4
71.71465	0.8
72.99315	0.7
73.02950	3.5
75.34797	0.4
78.95924	0.6
80.02689	1.2
81.03454	1.4
83.01400	3.0
83.05030	2.4
84.02158	0.7
85.02958	11.5
87.00884	2.0
89.02452	6.7
93.03461	0.6
95.01396	0.9
95.05042	1.5
96.27787	0.4
96.96020	2.0
97.02960	4.1
97.06594	5.4
98.20618	0.4
99.00887	1.2
99.92593	9.1
100.92590	0.5
101.02457	8.0
106.04256	0.9
109.02966	0.6
109.06586	0.6
110.03719	0.6
111.08178	2.0
113.02461	4.4
114.93417	1.1
114.96107	0.5
116.92877	94.3
116.97268	0.8
117.01962	2.3
117.92883	5.6
119.03529	1.5
119.08696	0.9
121.06593	0.5
123.04542	1.2
123.08192	1.2
125.02441	0.7
125.06165	0.5
125.09736	6.5
127.11295	1.8
135.08203	1.0
137.09731	4.2
141.01933	0.5
143.03534	0.8
145.05051	1.1
151.11310	0.9
153.09294	0.9
153.12906	0.5
155.10782	1.2
161.04604	2.8
163.11298	4.1
165.09253	0.5
165.12866	3.1
167.10809	1.8
167.14468	0.6
169.12354	1.2
171.10286	35.7
172.10620	1.9
173.06087	0.4
177.12866	1.1
179.05618	0.8
179.10660	0.4
181.12369	1.5
183.13931	2.6
185.11848	6.3
191.10822	1.2
191.14450	4.4
193.12340	1.0
193.36108	0.4
197.11839	9.2
198.12216	0.5
199.13420	1.0
201.11325	1.1
207.10300	1.9
209.11841	40.3
210.12186	2.0
211.13399	13.7
212.13692	0.9
213.11377	0.5
221.11812	2.3
225.11432	1.9
227.12914	6.9
229.14435	9.0
230.14772	0.4
235.08215	3.7
237.11255	1.4
239.12854	1.8
243.17506	0.4
245.19092	8.2
246.19446	0.7
252.95799	0.4
253.09280	22.2
253.64886	0.4
254.09583	0.9
263.20053	2.0
271.16995	0.5
279.07437	0.4
289.18094	29.6
290.18472	3.0
291.16537	0.8
291.19669	9.5
292.19809	0.7
293.21243	0.6
307.19156	27.6
308.19449	2.9
309.20706	14.7
310.21024	1.5
325.20044	0.8
327.21768	100.0
328.22104	9.4
445.20587	1.0
563.30475	1.1
871.50616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	3.3
64.78792	0.4
69.03449	1.1
71.01385	16.6
71.55190	0.5
71.55511	0.5
72.99306	2.0
73.02961	2.3
80.96516	0.7
81.03452	1.5
83.01397	2.5
83.05028	0.9
85.02959	3.9
87.00886	2.8
89.02452	11.7
90.02749	0.6
95.01402	0.8
95.05013	1.5
97.02955	1.8
97.06596	4.9
99.00888	1.2
101.02461	10.1
113.02455	3.8
116.92844	1.3
119.03528	2.7
121.02914	0.7
125.02457	2.9
125.09745	1.1
127.90423	0.4
143.03506	0.9
149.09746	0.8
151.11311	11.4
152.11623	0.8
159.47958	0.5
161.04581	1.6
163.50735	0.4
169.12360	46.1
170.12688	1.8
179.05655	1.1
195.10257	0.7
197.11743	0.6
209.11786	2.7
211.13437	1.2
212.13676	0.6
213.11320	5.6
221.06659	1.6
221.91840	0.5
225.90343	0.5
235.08223	1.5
253.09291	1.0
259.76828	0.5
277.21725	34.0
278.22034	3.4
279.23004	0.7
289.18091	0.7
291.19830	0.6
309.20865	0.9
397.13541	3.7
415.14417	0.9
496.54239	0.5
593.24304	1.1
611.25757	1.1
871.47266	100.0
872.47675	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	871.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	2.9
69.03459	1.0
71.00984	0.8
71.01383	15.3
71.53892	0.7
72.99316	1.3
73.02959	2.5
75.00850	0.5
77.81866	0.4
80.96481	0.7
81.03431	0.6
81.50239	0.4
81.54700	0.5
83.01395	1.7
83.05042	0.5
85.02943	3.8
86.64307	0.4
87.00871	3.7
89.02454	13.2
92.88061	0.4
95.01398	1.3
95.05052	0.8
97.02975	1.5
97.06609	2.6
99.00906	1.0
101.02456	11.4
113.02472	4.9
115.04049	0.6
116.92870	2.0
119.03531	3.0
123.08128	0.4
125.02469	2.6
131.03607	0.4
139.04060	0.4
143.03508	1.2
145.00510	0.4
151.11302	11.2
152.11600	0.6
161.04567	1.3
169.12354	66.0
170.12685	3.3
179.05608	1.1
195.10287	0.8
197.11676	0.4
211.13449	0.9
213.11327	10.5
221.06586	3.5
235.08186	1.5
253.09261	0.6
277.21716	17.4
277.24741	0.9
278.22092	1.6
289.17911	0.5
291.19537	0.6
293.21191	0.4
301.00015	0.5
309.20801	0.8
388.63446	0.5
397.13544	2.2
415.14563	0.8
475.16318	0.4
593.24762	1.0
611.25787	2.2
871.47260	100.0
872.47577	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	871.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72576	0.8
69.03467	1.3
69.39990	9.7
71.01373	4.1
76.05062	0.7
78.95868	1.1
83.01395	1.2
85.02972	3.3
87.00932	0.9
89.02460	1.8
91.64293	0.9
92.99483	0.8
93.03504	0.8
95.01377	2.0
97.02966	1.2
99.05647	1.3
101.02477	2.2
106.99622	0.8
107.01395	6.8
108.02184	10.0
108.70403	0.8
109.02956	4.3
111.00905	2.0
113.02496	2.1
120.99753	1.0
123.00907	10.1
123.04549	36.4
124.01665	0.9
124.04897	1.1
125.02468	35.9
126.02779	1.0
127.00481	0.8
128.03558	2.6
128.69269	0.8
136.98857	0.9
137.02443	1.9
139.00388	3.2
139.04036	1.8
140.01199	2.5
141.01944	1.2
143.04663	4.0
151.00366	6.4
151.04025	1.2
152.01173	12.5
153.02013	4.1
153.05591	46.0
154.05904	1.0
154.74197	0.9
161.04608	1.0
161.06058	1.3
165.01962	1.0
167.03540	0.9
168.00673	4.3
169.01445	58.5
170.01816	1.6
173.04568	1.4
177.01791	0.8
181.05089	1.2
193.70476	1.0
210.08804	0.8
211.02490	1.1
241.03665	1.4
241.14523	0.8
253.09967	0.8
275.02029	0.9
287.10516	1.2
295.10873	1.0
299.09348	1.0
300.99829	2.6
301.12119	1.1
306.07663	11.2
313.05661	33.3
313.11514	1.3
314.06085	2.6
315.07269	7.7
315.10571	1.6
361.59055	0.9
404.14868	2.2
423.09363	10.1
424.10071	1.6
449.07031	0.9
450.16605	1.3
467.07532	23.9
467.12988	100.0
468.13214	10.7
777.29926	1.1
821.28546	3.4
853.31989	4.1
854.32184	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	871.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38970	0.3
64.40248	0.4
67.01873	0.4
69.03440	0.8
70.49103	1.0
70.49466	0.5
71.01389	2.1
74.02477	0.3
74.08025	0.3
76.31607	0.3
79.01868	0.5
85.02940	1.2
85.03430	0.3
85.22657	0.3
89.02422	0.6
95.01396	1.2
97.02942	0.5
98.36541	0.3
99.00869	0.5
101.02441	1.0
107.01389	1.9
108.02187	12.9
109.02294	0.5
109.02972	6.6
111.00883	0.8
113.02452	0.8
121.02991	0.4
123.00077	0.5
123.00904	5.6
123.04530	1.0
125.02462	12.8
126.02794	0.5
127.00354	0.4
137.02324	0.4
139.00380	1.2
140.01154	1.4
141.02065	0.4
151.00377	4.1
151.03975	0.9
152.01180	20.4
153.01956	5.6
153.05663	0.7
163.04004	0.8
163.28110	0.4
165.01894	0.6
168.00627	1.7
169.01443	22.1
170.01785	1.0
179.03485	0.4
193.98589	2.9
194.99316	0.5
211.02434	0.8
225.04045	0.4
253.03380	0.3
271.04596	0.3
306.07581	1.0
313.02081	0.5
313.05646	8.0
314.05969	0.5
315.07233	12.0
316.07495	0.5
347.79105	0.4
423.09320	16.0
424.09735	1.5
449.07330	2.5
467.08231	100.0
468.08591	9.9
521.09473	0.4
746.39581	0.4
785.48138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.494
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33910	1.4
61.98827	11.8
65.99654	1.5
67.01888	1.6
69.03460	6.9
69.60087	11.3
71.01385	35.3
72.99325	4.5
73.02946	4.3
80.02682	2.5
81.03466	8.4
81.49266	1.5
83.01388	14.6
83.05055	7.4
85.02960	10.7
87.00896	8.6
89.02457	21.9
95.01402	2.9
95.05043	5.4
96.96001	2.6
97.02954	11.3
97.06592	16.4
99.00906	2.0
101.02447	25.7
107.05070	2.2
109.02972	1.7
109.06620	6.6
110.16402	1.3
111.04521	1.8
111.08189	3.3
113.02461	13.1
119.03510	4.5
119.08642	3.2
121.06620	2.5
123.04543	10.8
123.08157	7.2
125.02470	6.8
125.06072	2.8
125.09737	29.2
126.90390	1.8
135.08215	3.8
137.06104	3.0
137.09741	9.6
141.12906	1.6
142.02721	2.7
143.03510	2.9
145.05138	1.4
149.06168	1.5
151.11324	1.6
153.09253	2.4
155.10815	6.1
161.04590	9.4
161.09715	2.7
163.11310	19.7
165.09244	3.0
165.12862	5.9
167.10774	9.9
169.08693	1.5
171.10274	10.6
175.11240	1.3
177.12851	2.8
179.05629	4.4
179.10916	2.2
181.12349	7.3
183.10265	2.7
183.13930	5.4
185.10196	2.2
185.11836	31.9
186.12213	2.0
187.09756	2.5
189.12683	1.9
191.10764	4.0
191.14429	19.2
193.12308	4.0
197.11865	1.9
199.09808	1.6
201.11296	2.0
207.10283	16.4
208.10605	1.4
209.11832	62.0
210.12198	5.2
211.13405	66.0
212.13805	3.4
213.11359	4.2
216.42331	1.6
217.15982	3.3
221.11963	1.7
225.11328	12.8
226.11948	2.0
227.12959	8.7
235.08304	7.2
237.11218	6.6
241.14453	1.5
243.17549	3.2
245.19102	44.3
246.19455	3.6
247.20718	2.5
253.09270	23.0
261.18542	3.3
263.20078	9.0
271.17026	5.4
277.21750	33.5
278.22137	6.8
281.21353	1.5
287.16599	3.0
289.18079	100.0
290.18402	10.4
291.19656	21.1
292.19846	2.4
305.17496	3.8
307.19138	62.0
308.19382	7.2
309.20712	13.1
323.18607	3.2
341.23328	4.3
379.12494	5.1
397.13519	26.0
398.13861	4.2
415.14615	6.5
464.95480	1.5
466.02557	2.1
497.89795	1.5
498.85776	1.4
591.26343	2.1
609.27679	3.1
863.91986	1.7
869.46722	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	868.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98539	0.2
70.09396	0.3
71.01394	0.1
80.96545	0.1
89.02459	0.1
98.19971	0.1
101.02444	0.1
141.04303	0.1
160.81850	0.1
168.44783	0.1
183.14122	0.1
211.13400	0.7
212.12885	0.1
272.69159	0.1
277.21658	0.4
397.13562	0.3
415.14560	0.1
455.35275	0.5
749.91241	0.1
844.61029	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	868.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98542	0.1
70.25776	0.4
79.95771	0.1
80.96532	0.3
94.98134	0.1
101.68909	0.1
104.33691	0.1
137.59898	0.1
162.83977	0.1
225.00725	0.1
269.60999	0.1
277.21893	0.1
278.22125	0.1
279.22971	0.1
293.75421	0.1
335.29980	0.1
342.96573	0.1
531.36389	0.1
868.51544	0.3
869.48077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24895	0.7
69.66767	1.3
69.67180	3.7
71.01389	16.2
72.99316	1.6
73.02963	1.2
74.99074	0.5
75.00843	0.7
77.39002	0.6
80.05072	3.5
83.01387	0.9
85.02967	4.6
87.00867	1.3
89.02459	12.1
94.02992	9.5
94.06667	0.7
95.01404	2.1
96.96020	1.8
97.20273	0.6
99.00892	0.9
101.02459	10.1
104.05061	1.2
106.06641	5.3
107.01412	1.1
108.04564	2.0
111.51434	0.7
113.02463	5.5
119.03522	3.3
120.04575	0.8
120.99636	1.2
122.06135	4.7
123.00900	1.3
124.04034	2.0
124.07674	1.2
125.02457	4.7
125.03240	0.9
132.04518	1.7
134.06143	26.7
135.06485	1.2
136.04062	2.7
138.05656	4.0
141.01941	0.9
146.06126	1.6
148.04060	3.5
150.03242	1.3
150.05664	4.0
151.00299	0.9
152.07187	3.8
160.04135	0.9
162.05605	1.0
168.06625	1.4
169.01459	4.6
172.11339	1.1
174.05606	1.8
175.05136	1.1
180.06683	0.8
186.05551	1.1
187.08704	0.7
188.07208	1.2
190.05074	3.1
201.10278	3.8
211.08693	1.4
213.10332	2.4
215.11938	1.7
223.08832	1.0
224.09573	0.9
225.10318	2.9
227.11894	2.6
229.09766	4.8
229.13400	1.6
231.11427	0.8
235.08784	1.9
237.10300	2.2
238.07349	0.7
239.11894	4.5
241.09830	1.2
248.09465	1.0
249.10339	2.9
250.07549	0.9
251.08284	2.8
251.11893	2.7
252.09013	2.4
253.09659	4.2
255.11392	4.8
257.13000	1.5
263.08401	3.4
264.09030	2.4
265.09857	4.5
267.11420	6.0
272.11624	0.7
273.12329	4.0
276.09052	0.8
277.09772	5.3
278.06894	2.0
278.10519	3.8
279.07751	4.6
279.11359	7.6
280.08450	0.7
280.11945	1.1
289.09384	0.8
289.12140	1.1
291.07724	1.8
291.11337	2.2
292.08539	2.8
292.11673	1.4
293.09326	10.0
294.09991	2.9
295.10907	5.4
301.11841	3.8
305.09256	2.9
306.10043	1.2
307.10910	5.2
309.08878	0.9
309.12296	1.6
312.12027	0.8
314.12454	1.6
319.13071	11.7
321.08987	3.3
321.12131	0.9
323.10464	1.0
327.13486	1.2
337.08331	2.3
337.11942	1.0
339.09814	5.0
340.10037	0.9
351.09811	3.0
353.11429	0.9
358.11880	1.4
371.12527	0.9
372.13400	1.0
374.14963	1.7
384.13245	0.8
386.14954	1.9
392.16232	1.4
398.15057	1.7
403.14841	1.1
410.14645	0.9
416.16147	2.6
418.13953	1.1
424.16409	0.8
425.17343	1.1
428.16110	0.9
434.17096	1.4
435.17596	0.9
440.15964	0.8
442.17865	1.2
446.17093	1.8
453.19318	1.4
458.17612	0.8
468.15610	1.2
479.16373	1.3
486.16727	2.7
493.22134	0.7
497.17670	3.1
498.17828	1.1
604.23120	0.9
620.22943	3.2
621.22937	1.1
638.23431	7.2
639.24530	1.3
648.22076	4.8
649.22974	1.1
666.23157	17.9
667.23383	2.3
680.24347	0.9
701.28241	1.3
712.27191	5.5
713.27582	1.2
743.28351	1.2
745.27411	3.2
761.30359	3.6
777.30090	4.4
778.30774	1.2
787.29004	1.4
793.33759	0.9
805.29639	46.8
806.29810	9.1
807.29803	0.9
809.32361	1.1
819.30817	4.7
820.31354	1.1
825.32880	1.4
837.32361	100.0
838.32819	16.5
851.34393	0.8
869.35052	26.9
870.35358	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	867.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	43.6
67.67860	0.5
69.03452	1.8
69.26891	0.5
71.01391	21.3
71.73759	1.0
72.01728	0.7
72.99331	2.1
73.02953	3.8
75.00892	0.8
78.95923	1.0
79.95751	1.0
80.02715	1.8
80.96546	1.2
81.03477	2.2
83.01414	3.0
83.05032	7.0
84.02181	1.5
85.02959	5.4
87.00864	4.2
88.98841	0.9
89.02457	17.1
93.03484	0.9
95.01403	1.6
95.05045	1.4
96.49603	0.6
96.96026	2.9
97.02970	3.0
97.06579	0.9
97.31211	0.5
99.00897	2.0
99.04551	0.6
101.02457	15.5
102.92855	0.5
109.06605	0.8
111.00938	0.7
111.08189	1.2
113.02458	7.6
116.92839	0.7
119.03529	4.5
121.02960	1.0
123.00911	0.6
125.02473	5.4
125.06128	1.3
131.03510	1.2
133.05022	0.6
134.97614	0.6
135.08142	0.7
137.02515	0.6
143.03526	1.0
147.11891	0.6
148.30692	0.5
150.03326	0.5
151.04056	0.7
161.02505	0.8
161.04578	2.7
163.11313	5.3
165.12862	10.8
167.03461	0.7
169.01421	2.0
171.10274	1.2
179.05643	1.5
181.12389	1.3
183.13919	60.7
184.14261	3.7
191.10860	1.4
197.11737	1.1
207.10297	0.9
209.11844	82.9
210.12180	5.2
211.13445	1.5
213.14984	4.4
214.15289	1.4
221.06688	2.4
225.11243	0.7
227.12910	9.9
228.13211	0.9
235.03474	0.6
235.08165	2.5
271.10971	0.6
274.01135	0.6
275.01968	0.6
284.02744	0.5
300.99902	2.2
329.23276	1.4
356.77408	0.6
379.12405	0.8
397.13562	6.1
398.13925	0.7
415.14444	1.5
465.02167	1.2
471.31476	0.7
472.31369	1.0
483.31302	2.3
607.26483	1.0
625.27087	1.4
645.36060	0.8
740.30542	0.6
813.34668	0.5
817.38672	0.8
835.39880	100.0
836.40466	24.0
867.42432	16.3
868.42645	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	866.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.79359	0.1
62.98546	0.2
71.01392	0.9
78.91871	0.1
78.95939	0.2
79.95742	0.2
80.91686	0.1
80.96526	0.2
85.02991	0.1
87.00917	0.2
87.92278	0.1
88.98853	0.1
89.02444	0.1
94.98114	0.3
96.96063	0.1
97.03035	0.1
98.20608	0.2
101.02484	0.2
109.06609	0.2
113.02444	0.1
130.35020	0.1
171.10338	0.2
181.12309	0.1
201.11383	0.1
207.10329	0.2
209.11882	0.7
211.13390	0.2
218.08218	0.1
225.11383	0.3
227.12952	0.1
296.72116	0.1
385.41129	0.1
456.01523	0.1
580.57593	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	867.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.3
69.03452	0.6
70.32616	0.6
70.33027	0.4
71.01386	7.1
72.99313	0.6
73.02946	1.0
75.00895	0.3
80.02679	1.2
80.82668	0.2
81.03460	1.5
83.01398	1.2
83.05031	5.0
84.02173	0.8
85.02956	1.9
87.00892	1.8
89.02453	6.9
93.03461	0.4
95.01401	0.6
95.05023	0.7
97.02946	1.1
97.06574	0.3
99.00901	0.6
101.02454	5.4
104.89101	0.2
109.02977	0.3
109.06590	0.4
109.77272	0.2
111.00930	0.2
111.04548	0.3
111.08183	0.3
111.86462	0.2
113.02460	3.0
119.03528	1.6
121.02958	0.3
121.05796	0.2
123.00946	0.3
123.04561	0.2
125.02466	2.8
125.06116	0.6
125.09697	0.2
129.01987	0.2
129.67557	0.2
131.03520	0.3
135.08176	0.4
137.02470	0.5
137.09679	0.2
139.03941	0.3
141.02008	0.2
143.03574	1.1
147.11853	0.3
150.03246	0.4
161.04597	1.8
163.11301	4.4
163.12662	0.3
165.01926	0.3
165.12869	2.7
166.02689	0.2
167.03427	0.3
169.01404	0.2
169.12392	0.3
171.10321	0.5
179.05634	2.0
180.04405	0.2
181.05119	0.2
181.12387	0.3
185.04471	0.3
191.10789	1.0
195.06685	0.3
197.11848	0.3
199.06264	0.2
199.13478	0.2
209.11836	100.0
210.12177	6.9
211.13414	0.2
217.07172	0.4
221.06696	0.7
225.07565	0.2
225.11307	0.2
227.12885	14.2
228.13266	0.9
235.08179	2.0
251.12846	0.5
253.09290	0.6
259.15530	0.2
287.07669	0.9
301.00070	0.3
305.08737	0.9
323.09830	0.7
341.10706	0.2
379.12509	3.1
397.13516	20.0
398.13846	1.9
415.14603	4.9
415.19235	0.2
416.14920	0.4
448.84628	0.2
466.02554	0.2
589.24896	1.5
590.25214	0.3
607.26123	2.7
608.26526	0.5
799.37616	0.6
800.38818	0.3
817.38580	0.3
849.38037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.4
67.01881	0.3
71.01389	6.3
71.67561	0.5
71.97279	0.3
72.99303	1.0
75.00879	1.8
83.01395	0.6
85.02959	7.9
87.00890	1.7
89.02451	0.5
91.12069	0.2
93.03469	0.6
95.01407	2.1
99.00896	3.1
103.00384	1.4
107.01389	0.9
108.02196	0.9
109.02935	0.3
111.00889	0.4
111.69829	0.3
113.02470	11.6
113.22095	0.2
115.00387	0.8
117.01960	0.9
123.00912	0.4
125.02410	0.6
129.01939	0.7
135.00931	0.3
135.04526	1.4
136.04865	0.4
148.01718	0.7
151.00375	2.3
152.03358	0.3
153.01913	0.2
163.00359	1.0
164.01152	0.7
169.01411	0.8
173.04570	0.3
175.02501	6.6
175.03836	0.3
191.05461	0.3
199.03947	0.5
202.02765	0.4
210.79950	0.2
211.04140	0.3
215.03442	0.3
216.04219	0.7
219.06635	0.3
225.08733	0.3
226.02641	0.5
227.03482	1.2
243.02982	6.2
244.03616	1.8
254.02182	1.1
255.02977	11.1
255.05673	0.6
256.03513	1.5
259.06030	1.0
271.02460	21.5
272.03119	4.2
284.03146	0.4
287.05515	1.4
299.02014	0.5
300.02759	36.8
300.99982	0.5
301.03094	3.2
315.05093	100.0
316.05438	9.4
326.62625	0.3
352.88550	0.3
356.08902	1.1
357.09164	0.8
447.09113	0.4
491.08310	35.4
492.08630	4.7
865.29382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	7.3
69.03449	1.1
71.01386	19.3
71.72269	0.7
72.99316	1.7
73.02950	3.0
78.95897	1.3
79.95737	1.0
80.45709	0.5
80.96510	0.9
81.03481	0.6
83.01384	2.1
83.05021	0.7
85.02952	3.6
87.00864	3.3
89.02453	12.1
90.02789	0.5
95.01402	1.1
95.05000	0.5
97.02967	2.0
97.06593	0.8
99.00892	1.7
101.02461	13.3
103.31784	0.5
107.80667	0.5
111.08163	0.7
113.02467	6.2
114.91330	0.4
119.03522	2.8
125.02493	3.5
127.86791	0.5
139.04083	0.4
143.03503	1.6
161.04536	1.5
165.12866	6.9
169.05060	0.6
179.05629	1.8
183.13910	40.0
184.14276	2.5
207.10313	0.7
208.10652	0.7
209.11824	4.9
210.12155	0.6
221.06642	1.8
225.00812	0.8
225.11292	0.7
225.26024	0.6
227.12877	3.3
235.08157	2.4
253.09355	0.9
255.23282	59.6
256.23581	6.2
263.07712	1.1
273.99796	0.5
291.19708	0.6
293.21368	1.1
337.34552	0.6
379.12552	1.1
392.98340	0.5
397.13519	7.3
398.13702	1.1
415.14426	1.0
721.82733	0.6
781.41821	1.1
807.40985	0.6
838.67371	0.5
863.50372	100.0
864.50726	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	863.504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.4
67.01881	0.3
69.03451	1.2
71.01385	16.7
72.99312	1.5
73.02956	2.8
75.00872	0.4
76.42716	0.2
80.02681	1.2
80.96509	0.2
81.03467	2.0
83.01396	2.0
83.05035	4.9
84.02206	0.6
85.02959	3.8
86.00096	0.2
87.00876	4.4
89.02450	13.5
91.04024	0.3
93.03505	0.4
95.01401	1.2
95.05042	0.8
97.02959	3.0
99.00895	1.0
101.02456	12.4
109.06646	0.5
111.00896	0.3
111.04553	0.6
113.02461	6.5
115.04007	0.3
119.03521	3.4
121.02963	0.4
123.00886	0.4
125.02462	5.7
125.06114	0.6
127.04023	0.4
131.03520	0.6
133.05106	0.6
135.08191	0.6
139.04037	0.5
141.01772	0.9
143.03513	2.4
149.04576	0.5
151.04031	0.3
161.04582	2.7
163.11299	3.7
165.12862	2.3
167.03484	0.5
179.05608	3.4
181.12361	0.7
189.34480	0.3
191.10811	0.8
199.06157	0.8
199.13419	0.6
203.05736	0.3
207.10287	0.6
209.11836	100.0
210.12183	5.1
217.07166	1.0
221.06609	1.2
225.11258	0.2
227.12889	13.3
228.13179	0.7
229.96498	0.4
235.08214	5.2
244.81638	0.2
245.06717	0.4
251.12947	0.3
253.09288	0.7
255.23283	56.6
256.23624	3.8
259.08206	0.6
263.07736	0.3
267.51535	0.2
269.24829	0.7
287.07724	1.6
297.24307	0.4
301.53366	0.3
305.08850	2.0
323.09937	1.2
330.29947	0.2
338.55151	0.2
361.11511	0.5
379.12445	8.5
380.12738	0.4
389.64441	0.2
397.13510	40.6
398.13770	2.7
415.14572	8.1
416.14957	0.6
427.19595	0.3
541.17682	0.2
589.24664	1.2
607.25885	1.3
635.36584	0.7
653.37537	2.3
654.37640	0.4
863.49384	1.3
864.49481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01727	0.2
61.98838	0.2
68.99824	0.2
69.03465	1.0
70.99055	0.4
71.01385	16.2
71.05027	0.2
72.01738	0.4
72.99313	1.4
73.02952	2.3
75.00880	0.3
80.02693	0.9
81.03465	1.9
83.01389	2.0
83.05029	4.9
84.02184	0.6
85.02956	3.8
86.00114	0.1
86.87183	0.2
87.00879	4.2
87.04525	0.2
89.02452	13.4
90.02786	0.2
93.03460	0.3
95.01394	1.2
95.05059	0.7
97.02957	2.6
97.06563	0.2
99.00897	0.9
99.04523	0.3
101.02454	12.7
102.02810	0.3
103.03996	0.2
109.02975	0.3
109.06595	0.3
111.04525	0.4
113.02457	7.3
114.02788	0.2
115.04036	0.3
119.03508	3.5
119.04300	0.2
121.03016	0.2
121.19541	0.1
123.04556	0.2
123.92427	0.1
124.01673	0.3
125.02455	5.8
125.06101	0.5
126.02802	0.2
129.01959	0.2
131.03511	0.7
133.05086	0.5
135.08163	0.5
137.02473	0.2
139.04033	0.4
141.01994	0.2
143.03520	2.6
145.05074	0.4
149.02486	0.1
149.04611	0.4
151.03955	0.2
157.05106	0.2
161.04578	3.2
162.04919	0.2
163.11302	3.5
164.11649	0.3
165.12859	2.4
167.03505	0.5
179.05617	3.0
181.12379	0.6
185.04530	0.3
191.10725	0.7
199.06113	0.4
203.05692	0.2
209.11832	100.0
210.12163	6.9
217.07277	1.0
221.06619	1.1
223.13506	0.1
227.12889	12.7
228.13168	0.9
235.08212	5.0
236.08594	0.3
245.06735	0.3
251.12955	0.4
253.09323	0.9
255.23280	54.1
256.23608	5.6
259.08145	0.7
263.07751	0.5
269.24835	0.5
277.09259	0.3
287.07758	1.8
288.08115	0.2
297.24353	0.3
305.08765	2.0
323.09778	1.1
361.11572	0.4
379.08664	0.2
379.12427	9.1
380.12686	1.0
397.13507	40.3
398.13858	3.9
398.19113	0.2
415.14566	8.2
416.15213	0.8
459.30164	0.2
543.32263	0.2
589.25043	0.9
590.25983	0.2
607.25983	1.1
608.26300	0.2
635.36676	0.5
653.37622	2.0
654.37958	0.4
805.69751	0.2
864.50104	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01707	0.2
61.98830	0.4
64.90283	0.2
68.36517	0.2
69.03463	0.8
69.55849	0.8
69.56275	0.5
70.43761	0.1
71.01385	13.0
71.05013	0.3
72.99318	1.1
73.02943	1.8
73.18564	0.1
75.00890	0.4
80.02671	1.1
80.11781	0.1
81.03468	1.6
83.01392	1.5
83.05035	4.7
84.02177	0.8
85.02959	2.9
86.00125	0.2
87.00887	3.4
89.02454	10.7
91.03996	0.3
93.03513	0.2
95.01424	1.0
95.05042	0.7
97.02968	2.0
97.06561	0.3
98.20629	0.3
99.00900	0.9
99.04568	0.2
101.02454	9.9
102.83015	0.1
103.04070	0.2
107.03510	0.1
109.02948	0.3
109.06606	0.3
109.14059	0.1
111.00903	0.3
111.04519	0.5
111.59200	0.1
111.60126	0.1
112.01732	0.1
113.02467	6.3
113.77340	0.1
115.04010	0.2
115.19863	0.1
119.03514	2.7
121.02941	0.2
123.00882	0.3
123.04659	0.2
125.02466	5.1
125.06097	0.6
126.02768	0.2
127.04002	0.2
131.03508	0.6
133.05096	0.3
135.08209	0.8
137.02457	0.2
139.04025	0.4
139.12709	0.2
141.01973	0.4
143.03519	2.1
147.11719	0.1
149.04572	0.3
161.04567	2.9
163.11307	3.9
164.11644	0.3
165.12872	2.5
167.03462	0.4
167.55661	0.2
171.03027	0.2
173.31343	0.2
179.03435	0.2
179.05615	4.1
181.12305	0.6
185.04517	0.2
191.10794	0.9
199.06139	0.3
199.13432	0.2
207.10349	0.5
209.11838	100.0
210.12190	5.3
211.13336	0.2
217.07123	0.8
221.06720	1.6
225.11310	0.2
226.11714	0.2
227.12904	11.7
228.13231	0.5
235.08221	4.6
251.12932	0.6
253.09341	0.7
255.23285	41.7
256.23633	3.0
259.08096	0.3
263.07608	0.4
269.06659	0.2
269.24905	0.4
287.07761	1.9
305.08704	2.0
316.68643	0.2
323.09879	1.0
361.11374	0.3
374.52179	0.2
379.12473	9.0
380.12909	0.6
397.13525	31.1
398.13907	2.5
399.14026	0.2
413.18106	0.2
415.14581	7.7
416.14917	0.5
432.87555	0.2
589.25043	1.1
607.26038	1.7
608.26654	0.2
635.36334	0.5
653.37524	0.8
654.37653	0.2
863.50092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	1.2
63.96235	1.9
64.42886	0.6
69.03432	0.7
71.01394	8.5
71.69304	0.9
73.02944	1.8
78.95912	6.0
78.98593	7.3
79.95743	60.6
80.96523	100.0
81.03470	1.3
81.95319	1.4
82.96097	3.3
85.02947	3.5
87.00885	4.7
94.98096	21.2
96.96023	4.0
96.96976	1.3
97.02959	3.3
99.00905	0.8
99.92482	0.7
101.02460	3.4
106.98106	4.1
108.87302	0.7
122.97601	5.1
125.02459	4.5
127.03982	1.2
134.97591	8.4
136.99149	2.9
148.99142	9.2
152.98645	8.3
152.99718	0.9
161.04546	1.4
164.98654	14.8
179.00217	1.6
206.99706	5.5
225.00746	30.9
226.01024	1.2
241.00697	2.1
255.23312	6.0
283.04773	1.4
291.19656	1.2
341.05469	2.8
391.82721	0.8
425.14713	2.9
537.27454	3.6
579.28949	1.1
607.24176	1.4
609.29749	1.3
619.87604	0.8
623.31274	1.1
630.53308	0.7
637.32697	1.4
712.39429	0.8
735.39465	1.1
749.41638	0.8
752.04639	0.8
765.41101	1.7
777.41144	10.8
778.41528	2.6
845.47339	4.2
846.48981	0.9
863.48553	83.7
864.48938	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	863.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99295	0.5
61.98832	9.2
64.71436	0.2
66.49490	0.2
69.03444	0.8
71.01385	9.1
71.73258	0.5
72.99327	1.3
73.02949	1.4
75.00876	0.8
78.86803	0.2
78.95921	0.2
81.03422	0.5
83.01398	1.0
85.02967	2.2
87.00887	2.8
88.98820	2.9
89.01900	0.4
89.02452	7.4
95.01403	0.7
97.02960	1.4
99.00919	0.5
101.02460	6.4
111.00896	0.3
113.02470	4.1
118.03831	0.3
119.03514	1.8
119.04984	0.3
121.02975	0.5
125.02473	2.8
139.04004	0.4
143.03513	1.4
145.02965	0.9
146.03319	0.4
155.10786	0.4
161.04538	2.0
163.04024	0.3
165.12776	0.3
167.10785	0.4
167.14403	0.7
171.10284	0.9
172.10565	0.3
173.84738	0.3
179.05634	2.1
181.12286	0.3
183.13907	7.5
184.14214	0.3
193.12354	2.1
209.11888	1.3
211.13403	100.0
212.13728	6.1
217.07301	0.4
221.06679	1.0
227.03455	0.3
235.08293	2.2
253.09285	0.4
255.02937	0.8
256.03720	0.2
258.13644	0.2
259.08188	0.5
263.07788	0.4
284.03149	0.5
285.03955	2.4
286.04483	1.5
287.04480	0.9
287.07715	1.4
305.08841	0.9
309.20718	0.6
311.21417	0.3
323.09882	0.6
341.10846	0.3
379.12436	5.5
380.13055	0.3
397.13519	20.4
398.13953	1.9
415.14563	3.2
416.14716	0.5
429.21140	0.5
591.26630	9.4
592.26965	1.4
609.27814	9.5
610.28131	1.3
615.53687	0.3
679.16760	0.2
785.40057	2.3
786.40436	0.7
803.41431	1.6
804.41400	0.6
825.19281	1.3
863.43384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.2
68.99826	0.3
69.03465	1.1
71.01384	18.7
72.01723	0.4
72.99321	1.6
73.02950	2.3
75.00883	0.5
80.02698	1.1
81.03431	2.1
83.01405	2.3
83.05032	4.1
84.02175	0.6
85.02950	4.3
87.00883	3.9
88.98813	0.7
89.02446	13.5
89.37437	0.4
95.01407	1.2
95.05016	0.9
97.02957	2.8
97.06589	0.4
98.19848	0.9
99.00894	1.5
101.02448	13.7
103.00393	1.1
109.02914	0.4
109.06603	1.6
111.04576	0.5
113.02455	6.6
116.92867	2.4
117.92866	0.8
118.92680	1.0
119.03510	4.0
125.02463	7.0
125.06069	0.5
127.04037	0.4
131.03484	0.5
135.08211	0.7
143.03552	2.2
149.04724	0.4
151.03896	0.5
161.04570	2.9
163.11292	4.9
165.12903	2.1
179.05623	3.5
181.12387	0.9
185.04530	0.5
191.10841	0.5
207.10277	4.2
209.11830	100.0
210.12151	7.2
217.07127	1.2
221.06606	1.3
225.11298	4.0
227.12889	13.2
228.13345	0.6
235.08246	5.7
253.09361	0.9
253.21706	56.7
254.22041	5.4
255.23230	4.2
259.08249	0.6
263.07660	0.6
267.23239	0.5
277.21777	0.4
287.07663	2.1
295.22900	0.6
300.99771	0.4
305.08871	2.1
323.09726	0.8
379.12457	9.7
380.12744	1.2
397.13513	45.9
398.13898	3.4
412.48920	0.4
415.14560	9.4
416.15036	0.6
491.22665	0.4
582.91864	0.4
589.24493	0.9
607.26178	1.0
633.35162	0.9
651.36017	1.9
666.78424	0.4
861.48279	3.2
862.48492	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77122	0.7
61.98818	3.9
69.03451	2.3
71.01385	33.7
72.99325	4.3
73.02941	4.6
75.00842	1.1
78.95888	0.7
79.00448	0.8
80.02655	0.8
80.96459	0.9
81.03447	3.2
83.01385	2.9
83.05020	3.6
85.02949	6.8
86.00115	0.8
87.00874	7.7
88.98796	1.5
89.02449	24.7
95.01396	3.0
95.05032	3.6
97.02966	10.5
97.06586	1.2
99.00886	2.7
99.04560	1.1
101.02456	21.8
102.02784	0.8
103.00366	0.8
105.01941	3.4
109.02902	1.2
109.06606	23.7
110.03745	2.3
110.06949	1.2
111.04508	2.3
113.02464	11.5
116.92844	2.6
119.03502	6.2
121.02988	1.0
121.06609	2.1
123.04494	1.0
125.02468	7.9
125.09768	1.0
127.03928	0.8
131.03523	1.1
134.45110	0.9
135.08176	3.9
136.05334	1.4
141.01964	1.3
142.02701	1.5
143.03575	4.5
161.04616	4.2
161.09714	2.1
163.11307	16.0
164.11720	1.0
165.47585	0.7
167.03419	0.8
179.05672	6.0
179.10802	2.0
181.12346	3.6
189.09215	4.1
197.11826	1.4
207.10268	75.7
208.10593	6.4
209.11798	3.0
217.07181	1.0
221.06659	3.0
225.11322	100.0
226.11702	7.0
235.08228	6.9
253.09325	1.8
255.23282	72.6
256.23615	6.8
263.07779	1.2
277.19147	0.8
277.21640	4.1
279.21964	0.8
287.07816	1.5
305.08749	2.3
323.10040	2.1
323.14536	0.8
327.21741	2.4
379.12378	5.4
397.13495	58.6
398.13901	5.0
415.14520	14.3
415.19791	1.6
416.14514	1.2
502.72455	1.0
587.23145	2.1
605.24469	11.6
606.24567	2.3
623.25891	9.5
624.25580	1.1
653.37476	3.6
681.41675	1.2
844.47809	1.0
861.48889	54.9
862.49152	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	861.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	17.1
63.07704	2.8
71.01382	13.2
71.69407	6.0
76.60590	3.2
78.95895	8.6
78.98599	6.2
79.95740	46.1
80.96525	100.0
85.02991	3.8
94.98097	17.5
101.02446	3.7
122.97637	7.3
128.80115	3.2
146.31044	3.5
148.99179	7.4
152.98663	8.6
164.98625	14.2
206.99673	5.2
225.00777	25.6
255.23279	4.1
354.43811	3.3
537.26965	3.6
639.52698	3.5
667.27008	4.1
709.39014	5.8
815.42694	7.0
843.46576	4.7
861.47278	95.6
862.47668	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67102	0.5
61.98827	2.9
64.00632	0.5
69.03461	2.4
71.01385	26.6
71.69271	0.8
72.99331	2.7
73.02951	3.7
75.00880	1.0
76.16977	0.5
77.81978	0.5
81.03464	2.2
83.01395	2.8
83.05051	2.2
85.02956	6.5
87.00881	6.1
89.02451	18.3
93.03476	0.9
95.01408	1.9
95.05053	0.7
97.02956	11.4
97.03544	0.7
99.00887	3.6
101.02454	18.1
105.44743	0.5
107.05083	1.2
109.02962	0.6
109.06606	30.9
110.03756	1.1
110.06902	0.8
111.00891	1.0
111.04549	1.0
113.02463	10.1
119.03506	5.4
121.02942	0.7
121.06622	1.9
123.00868	0.7
123.04559	1.1
125.02468	8.0
131.03513	0.9
135.08199	3.3
136.05333	1.9
141.01958	1.3
142.02763	2.8
143.03535	2.7
149.04620	0.8
161.04613	4.0
161.09718	2.1
163.07756	0.6
163.11302	17.9
164.11633	1.1
167.03468	0.9
179.05643	4.1
179.10780	1.2
181.12344	3.3
189.09230	2.2
194.53590	0.6
207.10275	100.0
208.10579	5.8
209.10080	0.7
209.11717	3.0
217.07034	0.8
221.06660	2.0
225.11327	33.5
226.11658	2.4
227.12784	0.6
235.08221	5.6
243.12431	1.0
253.09317	1.3
255.23286	74.4
256.23679	6.7
259.08047	0.6
269.24911	1.2
281.14035	0.9
287.07742	1.9
291.19531	1.0
299.15118	0.9
305.08795	2.3
323.09778	2.1
379.12451	8.6
380.12857	0.7
397.13522	49.8
398.13791	5.1
415.14517	12.3
416.14932	0.8
443.19827	0.6
531.01965	0.6
587.23492	1.9
605.24597	5.3
623.25610	3.6
635.37372	1.0
653.37708	4.5
654.38306	0.9
671.98151	0.8
843.47906	1.6
858.02136	0.6
861.48828	56.1
862.49121	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	861.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99307	16.9
61.98830	3.0
61.99654	0.2
70.05501	0.7
70.77235	0.1
71.01378	0.5
72.99328	0.2
75.00898	0.4
76.94666	0.2
85.15441	0.2
87.00446	0.1
87.00887	0.9
88.00423	1.3
88.98814	100.0
89.02441	4.1
89.99158	1.3
90.14076	0.1
91.36194	0.1
101.02435	0.2
105.01950	0.3
116.92873	0.1
127.52767	0.2
167.11516	0.1
171.10252	0.4
207.10365	0.4
209.11871	1.2
211.13371	0.2
225.11345	0.3
253.09285	0.3
291.19806	0.2
307.19070	0.2
309.20758	0.5
310.21057	0.2
397.13611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	7.6
71.01390	6.8
71.05012	2.2
71.09476	1.1
71.67229	2.1
72.99287	1.3
73.02953	2.1
74.89136	0.9
77.36881	1.0
80.96536	1.0
83.05026	1.1
85.02956	2.0
87.00883	1.7
89.02441	4.1
95.01437	1.4
96.96011	1.2
99.00869	1.1
101.02442	3.5
113.02470	2.6
116.92866	2.5
121.03009	1.5
125.02456	2.7
150.03268	4.6
161.04652	1.3
165.05540	5.6
195.06696	1.8
197.02180	3.0
207.10258	3.0
209.11821	7.1
227.12819	1.4
268.58420	1.1
275.01877	1.2
292.08105	1.0
295.65018	1.1
300.99881	2.8
324.11600	1.1
327.10782	3.0
368.50333	1.0
387.98041	1.0
421.31110	2.0
439.32135	10.1
440.32312	2.2
455.31726	1.8
457.33252	2.3
466.51782	1.0
471.31094	1.8
483.31265	8.7
484.31583	1.7
485.31314	1.4
501.32181	100.0
502.32504	18.1
543.33484	5.2
663.37561	55.4
664.37823	11.4
672.33612	1.2
681.37823	1.6
699.34875	1.7
861.40826	70.4
862.41119	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	859.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.1
63.02401	2.0
65.00344	1.2
65.31196	0.3
69.57924	2.6
80.91982	0.3
83.01405	1.0
85.02977	0.3
88.53169	0.3
88.98803	0.4
93.03472	2.4
95.01438	0.4
96.96026	0.3
105.01961	0.3
107.01404	3.3
109.02979	0.8
115.75166	0.3
117.02632	0.5
117.03477	10.7
118.03831	0.5
119.01463	0.3
119.05041	4.1
121.02986	0.7
123.00936	0.4
125.02549	0.4
130.04274	0.5
131.05052	0.5
132.02168	0.5
135.00897	1.1
141.07169	0.4
143.05052	1.3
145.02974	39.6
146.03340	1.6
151.00391	4.2
153.01926	0.6
154.04288	0.3
155.05034	0.5
157.06627	1.1
159.04521	1.6
162.03387	0.3
163.00391	2.2
163.04057	2.9
164.01115	0.6
167.05016	0.7
169.01428	1.2
169.06636	0.8
171.04526	1.1
171.10258	0.4
173.06035	0.4
183.04584	1.7
185.06081	3.1
187.04015	4.6
189.05623	1.1
192.00580	0.4
195.04594	0.9
197.06087	0.9
199.04073	1.0
201.05533	0.7
209.11874	0.5
211.04002	2.3
212.04695	0.5
213.05548	2.2
214.02750	0.4
215.03394	0.3
219.02922	0.3
223.04063	0.5
226.02721	0.4
227.01237	0.7
227.03503	11.9
227.07022	0.6
228.03970	1.0
229.05058	10.1
230.05371	0.6
239.03487	1.7
240.04248	1.0
241.05031	1.9
253.04974	0.4
255.02965	26.0
256.03656	3.7
257.04550	7.1
258.04575	0.3
267.02936	1.2
268.03784	0.5
283.02463	6.0
284.03259	20.4
285.04037	100.0
286.04376	7.2
324.58429	0.3
331.08090	0.6
397.13571	0.4
471.37399	0.3
495.13019	0.7
531.11804	0.4
537.14185	2.1
543.39044	0.3
565.42365	0.3
617.13977	0.4
622.76300	0.4
659.14423	2.4
677.05609	0.2
677.15314	8.8
678.15271	1.4
823.19019	27.1
824.19232	6.4
890.03961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	9.7
61.99133	0.6
65.24338	0.3
67.01898	0.3
69.03452	2.8
69.36102	0.6
69.36503	3.6
71.01384	8.5
71.05019	0.4
71.15012	0.3
73.02975	1.3
78.95935	1.2
79.95754	0.5
80.02663	0.5
80.91713	0.9
82.95445	1.7
83.01414	1.0
83.05022	1.8
84.02185	0.6
84.39715	0.4
85.02956	10.2
85.03421	0.7
87.00913	1.7
88.98833	0.7
89.02453	5.7
91.12955	0.3
95.01445	0.7
95.05037	0.6
96.96019	5.4
96.96971	0.7
97.02957	3.3
97.06610	3.2
99.00900	0.8
99.92599	0.7
101.02450	7.9
103.69572	0.4
109.06650	1.2
110.03775	0.5
111.08174	8.8
113.02460	4.4
116.92892	1.7
119.03532	1.9
119.08691	0.7
123.08147	0.5
125.02547	0.5
125.06110	0.4
125.09766	1.7
127.07714	1.0
127.11342	1.3
137.09727	2.7
143.03543	1.0
145.05113	1.0
151.11317	0.8
153.09236	0.8
153.12904	0.9
155.10841	1.2
161.04584	3.0
163.11301	1.2
165.09332	0.5
165.12881	2.5
167.10822	0.8
167.14409	0.4
169.12366	3.8
171.10281	26.9
172.10701	1.5
177.12860	0.7
179.05647	1.2
179.10799	0.6
181.12430	1.6
183.13948	2.6
185.11815	1.3
193.12373	2.0
193.15965	0.4
197.11847	42.9
198.12183	2.9
199.13411	2.2
201.11392	1.3
203.10863	0.5
209.11896	3.9
210.12201	0.5
211.13419	19.9
212.13768	1.5
221.11856	2.0
225.11357	0.5
227.12907	2.9
229.14458	10.6
230.14809	0.6
231.27019	0.4
234.53088	0.4
235.08228	10.4
235.21915	0.4
236.08553	0.5
239.12820	1.8
247.20525	1.9
253.09274	40.6
254.09523	2.3
263.20129	2.2
265.18076	1.2
273.18661	0.9
291.19656	25.3
292.19977	2.6
309.20709	100.0
310.21033	10.5
310.24396	0.8
327.21762	97.9
328.22144	8.8
346.68234	0.4
433.20865	0.8
514.76349	0.4
527.28369	0.6
545.29626	6.2
546.29865	1.3
563.30762	7.5
564.30872	1.3
588.92932	0.4
619.42206	5.1
620.42621	1.1
855.51508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98518	2.6
61.98833	50.7
69.42072	13.7
69.42480	2.7
71.01385	18.4
72.99298	2.8
73.02950	4.0
79.95719	7.0
80.96517	8.9
82.95420	2.1
83.01376	2.4
83.05005	3.5
84.94972	1.3
85.02936	5.0
87.00878	4.5
89.02446	18.3
96.95998	2.6
97.02953	2.7
101.02451	15.4
102.75130	1.4
113.02435	6.3
116.92848	5.7
119.03479	2.8
121.02969	2.3
125.02418	6.6
131.03459	2.1
143.03477	4.4
161.04514	5.4
163.11272	3.2
169.01413	2.5
171.10225	4.5
179.05653	7.8
183.13803	5.1
193.12198	2.2
207.10208	2.6
209.11839	87.7
210.12137	5.1
211.13409	100.0
212.13631	6.3
227.12895	33.9
235.08142	7.0
287.07706	2.2
300.99722	1.8
305.08661	2.9
323.09756	2.9
337.01996	2.7
360.45920	1.7
379.12515	13.7
380.12744	2.1
397.13538	63.1
398.13693	6.9
403.25137	2.3
415.14655	9.9
589.25067	6.5
591.26807	18.1
607.25891	6.9
609.27643	18.8
610.28223	3.5
783.37939	2.0
801.38965	9.4
819.40070	2.6
837.39618	2.9
855.38062	53.4
856.38696	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	855.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	51.6
69.03440	1.8
71.01380	13.0
71.68987	2.1
72.99296	1.3
73.02947	2.9
78.95904	1.8
79.95731	7.2
80.96539	7.8
83.01406	1.6
83.05024	4.5
85.02958	2.2
87.00869	4.5
88.98825	2.1
89.02452	12.1
94.98084	1.7
95.01378	1.3
96.96011	1.8
97.02941	2.4
99.00889	1.4
101.02454	12.0
112.30579	1.4
113.02460	6.8
116.92883	3.0
119.03513	4.6
125.02500	6.7
134.75667	1.2
135.08188	1.2
143.03481	3.1
161.04599	4.6
163.11288	3.3
164.98660	1.5
165.01933	1.5
165.05489	1.2
165.12805	1.5
169.01404	1.7
171.10236	2.2
179.05659	7.5
183.13875	2.1
191.03343	1.5
203.75200	1.3
209.11839	100.0
210.12169	6.3
211.13399	80.9
212.13734	4.1
221.06520	2.0
223.09822	1.4
225.00645	2.0
227.12900	26.3
228.13153	2.4
233.15044	1.1
235.08144	4.5
274.01001	1.4
285.03839	1.2
287.07748	2.9
301.00076	1.5
301.09344	1.3
305.08905	1.8
323.10022	1.5
323.65689	1.1
333.28275	1.3
344.76102	1.3
379.12424	15.7
380.12585	2.5
397.13519	56.9
398.13879	6.2
400.49341	1.2
415.14603	11.1
428.73495	1.2
462.59784	1.1
522.23169	1.2
529.82367	1.3
585.80817	1.4
589.24908	7.7
590.25598	2.0
591.26556	9.0
592.26990	2.0
607.26044	11.6
608.26508	3.6
608.60925	1.5
609.27844	8.3
661.35596	2.5
681.27386	1.9
783.37860	1.6
801.39471	8.1
819.40143	2.5
837.39270	2.1
855.38251	48.6
856.38477	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	855.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48178	5.8
69.48589	13.4
71.01376	11.8
71.21619	1.7
72.99314	2.9
73.02924	1.6
80.45889	2.0
85.02946	3.8
87.00877	8.3
88.98808	2.1
89.02432	8.5
89.02940	1.7
99.04478	2.1
101.02451	4.6
106.06596	3.2
108.04558	6.2
110.06124	3.0
113.02459	3.5
121.05392	2.5
122.06125	16.3
123.00888	3.6
124.07593	2.4
125.02444	7.5
132.39330	2.0
134.06133	26.2
135.04607	1.8
135.06863	4.1
136.07674	10.2
136.99126	3.0
137.02480	3.8
138.05624	3.1
140.07196	29.0
142.68637	1.7
144.04552	3.5
146.06107	4.0
148.69841	1.7
149.02463	3.0
149.04834	11.6
150.05603	6.2
152.07152	8.8
157.55415	1.8
160.03990	2.4
161.04820	10.3
162.05609	21.9
163.06418	4.7
164.03558	5.0
164.07185	15.1
165.01924	8.7
166.05103	4.5
169.01436	9.1
172.04070	4.5
174.05539	3.4
176.07175	2.3
177.02078	2.1
180.04240	8.0
189.06683	2.5
190.05072	2.1
195.06691	9.3
197.91682	1.7
199.08890	2.0
204.06705	13.5
209.12071	1.9
211.02274	1.9
211.05104	2.4
211.08713	6.3
212.05888	14.0
212.09503	2.1
213.10342	2.6
223.08589	2.2
224.09375	3.6
225.07669	6.1
225.10342	8.1
226.07402	2.3
227.11919	3.2
229.09775	7.0
231.11382	2.0
237.10289	12.3
238.07362	2.9
239.08241	18.1
239.11890	3.0
240.09004	6.4
241.09880	3.1
243.12497	2.5
251.08315	5.0
251.11830	6.2
252.08710	9.1
252.12663	8.6
253.06200	17.5
253.09790	27.1
254.06868	3.4
254.10332	3.2
255.11359	10.2
257.09305	10.9
259.11017	2.8
261.12418	10.3
265.06204	6.3
265.09613	4.4
266.07047	11.9
267.07819	27.2
267.10953	16.3
268.08505	15.0
268.11966	11.7
269.13611	2.7
270.09964	3.6
271.10934	4.6
273.12448	2.7
275.14026	2.9
277.09814	2.5
279.07736	12.3
279.10938	4.2
280.08502	33.1
281.09329	41.9
282.09695	5.2
283.10873	13.5
285.09195	3.5
285.12427	21.1
287.14993	7.8
293.09344	3.5
295.10870	100.0
296.11572	45.4
297.08994	3.2
297.12317	19.4
298.09512	2.5
299.10379	10.7
300.11066	6.3
300.99878	5.0
301.11984	9.2
303.13510	68.2
304.13913	5.8
311.10370	6.0
312.11053	3.1
313.11908	10.2
322.09378	1.9
327.09879	2.6
327.13495	24.3
328.10574	3.8
328.14111	3.5
339.09818	18.7
340.10519	8.7
341.11322	7.7
343.12875	4.1
349.14169	4.0
351.12405	3.3
371.12485	13.9
372.12814	3.0
372.38443	2.0
373.13974	5.1
390.14529	10.1
404.16263	8.8
406.14087	4.0
407.18213	2.1
420.15533	6.4
434.13031	4.6
435.17740	5.6
436.19019	3.5
438.16580	2.5
448.14999	4.8
449.20099	13.9
450.20905	1.9
452.17892	2.9
463.08771	2.1
463.17004	3.1
465.18784	12.1
466.16202	10.2
467.17319	2.2
479.17120	4.1
480.17670	6.3
483.19916	5.7
511.19522	6.9
512.19904	3.2
523.13464	3.7
531.29602	2.5
562.21094	2.0
601.23193	17.0
602.22528	2.2
633.25769	52.6
634.26105	6.8
666.23260	4.7
698.25824	5.6
735.25574	2.1
761.31262	2.7
779.32367	3.2
805.29303	30.5
806.29883	9.9
823.30688	57.4
824.30933	11.2
837.16211	3.3
837.32343	82.8
838.32867	15.1
855.33362	99.1
856.33411	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	853.499
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25311	0.6
61.98830	4.5
69.03458	3.2
69.42796	6.5
71.01384	15.1
72.27647	0.7
72.99299	1.0
73.02954	2.9
76.23504	0.7
78.95892	1.2
80.02678	1.3
80.96523	1.1
81.03465	2.9
83.01404	3.9
83.05017	3.1
83.46598	0.6
84.02171	0.9
85.02945	4.2
87.00893	2.2
89.02454	7.1
91.04051	0.7
93.03473	0.7
93.07101	0.8
95.01406	1.3
95.05034	2.1
97.02962	3.8
97.06599	7.2
98.06971	0.7
101.02457	11.3
109.06608	2.2
111.00864	0.9
111.08168	18.4
112.08508	1.0
113.02462	5.1
116.92856	1.6
119.03501	1.8
121.06596	1.7
123.04562	3.5
123.08178	2.4
125.02454	1.6
125.06079	0.9
125.09735	8.9
127.07673	2.4
129.01927	0.8
133.88040	0.7
135.08202	1.4
137.09747	5.0
141.12865	1.3
142.02736	1.3
143.03487	1.2
149.06062	0.7
151.11310	2.4
153.09282	0.7
153.12843	1.9
155.10802	0.8
160.09038	0.7
161.04559	4.3
161.09544	0.7
163.07639	0.8
163.11296	6.7
164.11855	0.7
165.09212	1.0
165.12871	5.3
167.10762	2.9
169.12363	8.7
171.10262	4.8
178.09592	0.7
179.05672	1.7
179.10802	2.7
181.12332	5.2
182.12836	0.8
183.13902	2.1
185.11845	10.1
186.12230	0.7
191.10803	2.5
191.14452	8.1
193.12296	0.9
197.11839	100.0
198.12228	4.6
199.13478	6.6
205.12326	0.9
207.10297	2.2
209.09814	1.4
209.11833	26.4
210.12155	1.4
211.13400	15.2
212.13643	1.0
225.11313	2.2
227.12898	12.7
235.08249	4.6
237.11314	3.1
245.19092	16.8
246.19334	1.8
247.20728	1.9
253.09291	28.9
254.09631	1.6
263.20145	12.4
264.20480	0.8
265.18057	2.0
271.16937	1.7
273.18527	2.3
277.21552	0.9
281.21075	0.8
289.18085	62.6
290.18402	6.6
291.19666	33.4
292.20044	4.5
293.21030	1.8
307.19159	53.0
308.19482	4.4
309.20709	85.8
310.21094	8.2
325.20166	1.1
326.60159	0.7
327.21823	1.1
341.23178	0.7
445.20538	3.1
450.73779	0.7
468.07623	0.8
543.28003	1.3
655.33655	0.8
820.72101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	6.8
67.01885	1.0
69.03468	5.0
71.01383	16.5
71.05014	1.1
71.51525	1.0
71.51868	0.9
72.99304	1.5
73.02946	2.7
75.00871	0.7
78.95906	1.5
80.02711	1.3
81.03453	3.9
83.01396	5.5
83.05020	4.3
85.02959	5.1
87.00884	3.7
89.02452	9.2
93.07113	1.1
95.01397	2.4
95.05038	3.3
96.96027	2.8
96.96958	0.6
97.02965	9.9
97.06606	9.3
99.00934	1.6
101.02460	14.0
106.04285	1.0
107.05038	1.1
107.08566	0.6
109.02942	0.8
109.06626	3.3
110.03745	0.8
111.00888	0.8
111.04513	0.9
111.08169	19.9
113.02449	6.5
114.93404	0.6
116.92891	1.0
119.03490	2.7
119.08687	1.2
120.18829	0.7
121.06602	2.3
123.04550	5.1
123.08187	3.1
125.02479	1.1
125.06084	1.4
125.09746	16.3
125.10680	0.8
127.07670	1.7
127.11327	0.7
130.55206	0.7
135.08162	2.2
137.06047	1.3
137.09706	5.9
139.07658	0.6
141.09245	0.8
141.12874	1.5
143.03476	1.5
145.05099	1.7
149.06071	1.2
149.09718	1.6
151.11307	2.3
153.09229	0.8
153.12845	1.7
161.04576	6.8
161.09766	1.3
163.07657	0.9
163.09122	0.8
163.11304	12.2
165.09338	1.0
165.12843	6.8
167.10786	5.9
169.12387	5.7
171.10274	9.9
175.11143	0.8
177.12872	1.7
179.05679	2.0
179.10773	1.7
179.14478	0.9
181.12328	4.6
183.13934	1.3
185.11842	15.1
187.09744	0.7
189.12801	0.8
191.10736	1.9
191.14433	12.7
192.14774	0.8
193.12320	2.2
193.16031	1.2
195.13927	1.6
197.11838	84.0
198.12201	5.8
199.13362	4.4
207.10278	6.2
207.13835	0.7
209.11835	36.5
210.12126	2.0
211.13416	14.8
217.15927	1.8
219.13899	0.7
221.11896	1.3
223.13382	1.4
225.11388	5.1
225.14944	2.0
226.11848	1.2
227.12871	14.0
228.13301	0.9
235.08212	6.0
237.11287	7.0
245.19115	25.0
246.19377	1.5
247.16925	1.0
247.20679	5.1
253.09271	36.2
254.09621	2.2
256.01212	0.8
259.13266	0.9
263.20142	11.1
264.20554	0.9
265.18143	3.3
271.17056	3.6
273.18503	3.4
281.21292	1.1
289.18082	100.0
290.18454	11.4
291.19653	66.7
292.19980	7.7
293.21265	7.9
294.21646	1.4
307.19150	78.0
308.19495	9.2
309.20712	93.8
310.21008	11.7
325.20383	1.0
332.89890	0.7
341.23370	6.2
410.75116	0.7
445.20789	3.1
543.28058	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	852.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98537	0.2
80.96522	0.1
98.20588	0.3
102.82915	0.1
113.80799	0.1
229.37698	0.2
232.64133	0.1
236.94289	0.1
243.20291	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.8
64.08060	0.3
67.08388	0.3
68.99812	0.3
69.03447	0.8
69.48049	1.4
69.48477	1.7
71.01384	10.8
71.05034	0.3
72.99300	0.9
73.02948	1.8
75.00843	0.4
80.02673	1.1
81.03455	2.2
83.01396	1.6
83.05037	4.8
84.02179	0.9
85.02951	2.2
87.00876	2.3
88.98830	0.4
89.02456	8.7
93.03469	0.9
95.01408	1.3
95.05032	0.7
96.95996	0.4
97.02963	1.6
97.06605	0.5
98.20680	0.6
99.00871	0.8
101.02452	7.9
103.04059	0.3
107.13402	0.3
108.02249	0.3
109.03005	0.5
111.00934	1.6
113.02473	4.6
116.92901	0.8
119.03522	2.0
120.99671	4.6
123.00902	0.9
124.01694	0.3
125.02457	4.1
125.06108	0.6
125.09724	1.3
127.11274	1.8
131.03539	0.7
135.04544	0.4
135.08231	0.7
137.02440	0.6
137.09769	0.3
143.03510	1.2
143.16508	0.4
147.99461	0.3
150.03255	0.7
151.00439	0.4
151.03992	0.4
155.10782	0.6
161.04576	1.7
163.11314	4.1
164.04779	0.3
165.01903	0.5
165.05573	1.1
165.09222	0.4
165.12857	2.2
166.02695	0.6
167.03499	0.6
169.01508	2.0
171.10307	1.3
175.02477	0.5
179.05688	2.3
180.04326	0.4
181.05092	1.0
181.12395	0.8
191.10762	1.1
195.06610	0.6
199.06085	0.3
199.09808	0.7
201.11337	36.8
202.11716	1.6
209.11835	100.0
210.12170	5.9
221.06583	0.7
225.11249	0.4
227.12907	15.0
228.13225	1.2
235.08270	2.7
251.12955	0.4
253.09351	0.5
259.08316	0.4
263.07742	0.4
287.07712	0.9
300.09769	0.4
300.99811	1.1
301.03168	0.4
305.08771	1.1
323.09738	0.9
341.10574	0.4
342.13196	1.7
343.14145	1.7
379.12476	3.9
380.12677	0.4
393.22919	0.4
397.13510	24.9
398.13779	2.0
415.14569	6.9
416.14789	0.9
455.81607	0.4
581.24481	1.1
589.24750	1.5
599.25824	1.9
607.26007	3.5
608.26312	0.5
679.37469	0.4
773.36047	0.4
791.37402	0.7
799.37781	0.6
853.29041	1.1
853.42548	1.1
854.43842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98538	0.2
66.43588	0.1
71.01389	1.2
71.66441	0.1
71.66856	0.2
72.01714	0.1
73.02957	0.2
79.95736	0.5
80.91685	0.1
80.96529	0.7
81.03482	0.1
83.01416	0.2
83.05050	0.2
85.02985	0.3
86.31664	0.1
87.00892	0.2
88.98840	0.1
89.02455	0.5
90.11848	0.1
94.98096	0.1
96.96033	0.4
97.02992	0.2
99.00900	0.1
101.02467	0.6
109.06579	0.1
113.02464	0.3
116.92875	0.2
119.03486	0.1
124.80984	0.1
125.02488	0.4
137.02419	0.1
149.11946	0.1
161.04613	0.2
163.11353	0.2
164.98695	0.1
165.01952	0.2
165.12863	0.2
169.01375	0.1
171.10281	0.2
172.62144	0.1
179.05594	0.1
183.13911	0.5
201.01973	0.1
207.10352	0.2
209.11833	2.6
210.12189	1.0
211.13419	2.3
212.13728	0.9
225.00780	0.2
225.11378	0.2
227.12852	0.5
235.08347	0.2
238.43690	0.1
246.45064	0.1
253.09442	0.1
275.02069	0.1
299.99283	0.1
301.00024	0.3
327.21719	0.1
379.12515	0.2
380.12790	0.1
397.13489	0.9
398.14163	0.6
399.14304	0.1
415.14655	0.2
416.15143	0.1
465.52090	0.1
466.02756	0.2
466.52777	0.1
610.28577	0.2
820.40833	0.3
835.39813	0.2
852.40295	0.6
853.39600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.8
61.98832	6.0
68.99833	0.7
69.03456	2.2
69.98312	1.0
69.98724	1.6
71.01387	78.5
71.05027	0.5
72.01732	1.2
72.99318	1.8
73.02949	4.9
75.00903	0.4
80.02702	0.9
81.03475	3.6
83.01389	2.6
83.05034	7.5
84.02182	1.1
85.02962	7.3
87.00885	7.7
89.02454	16.3
93.03474	1.1
95.01395	2.0
95.05038	2.0
97.02964	5.9
97.06585	1.1
99.00886	2.5
99.04538	0.5
101.02456	15.5
102.02823	0.5
107.05032	0.7
109.02968	0.8
109.06612	8.1
110.03770	0.8
111.00867	0.5
111.04552	1.3
111.08176	1.0
113.02459	9.3
113.06083	0.4
115.03981	0.5
116.92899	2.0
119.03515	4.5
119.08725	0.4
121.02959	0.6
121.06612	1.1
123.04486	0.6
123.08214	0.6
125.02461	7.1
125.06137	0.7
125.09741	3.1
127.11334	2.1
131.03526	1.0
135.08188	1.9
136.05345	0.6
137.02505	0.6
137.09729	0.8
139.04024	1.1
139.07671	1.3
141.01950	1.5
142.02768	0.9
143.03534	2.9
145.10246	0.5
149.02469	0.8
149.04584	0.7
149.09698	0.9
150.03244	0.8
153.12863	0.6
155.10796	1.9
157.12372	0.4
161.04584	3.9
161.09706	1.0
163.11313	10.0
164.11681	0.7
165.05563	0.7
165.09341	0.7
165.12862	3.4
167.03531	0.5
167.10736	0.7
169.01469	0.8
169.12244	0.4
171.10286	28.0
172.10683	0.8
173.98665	0.4
179.05630	4.4
179.10799	1.3
181.05124	0.5
181.12358	5.1
183.10266	0.6
183.13831	0.5
185.04558	0.5
185.11916	2.5
189.09227	1.5
191.10825	1.1
195.06616	0.5
197.11870	2.4
198.12097	0.4
199.13266	0.6
201.11333	19.6
202.11705	0.7
203.05678	0.6
207.10271	24.0
208.10588	1.0
209.11838	100.0
210.12154	5.4
211.13620	0.6
215.12889	2.0
217.07158	0.7
221.06621	2.1
225.11331	32.7
226.11642	1.8
227.12881	13.8
228.13223	1.0
235.08221	6.2
243.12419	3.4
251.12932	1.5
253.09351	1.9
263.07791	0.7
263.12723	0.6
265.14285	0.4
267.12341	0.4
271.02548	0.7
285.04013	0.8
287.07660	1.3
299.01987	0.7
305.08731	1.1
323.09854	0.9
379.12451	3.7
397.13519	29.4
398.13953	2.1
399.21741	0.9
415.14569	10.0
416.15018	0.7
417.22726	2.2
421.48822	0.4
435.24088	0.8
439.14618	1.8
457.15662	0.6
551.23584	0.4
569.24518	1.4
600.25830	0.4
605.24377	2.7
607.26074	1.1
623.25684	6.4
624.25940	0.7
641.27472	0.5
797.36176	1.3
807.61902	0.5
815.37482	3.6
816.38245	0.9
833.38214	4.9
834.38989	1.3
851.39313	6.3
852.39777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
61.98832	100.0
62.98545	0.1
64.33190	0.1
70.00809	0.2
70.01225	0.2
71.01381	0.4
73.02961	0.1
75.00890	0.1
78.95940	0.1
79.95766	0.2
80.96519	0.9
83.05037	0.1
85.02977	0.2
87.00908	0.1
89.02479	0.2
94.30912	0.1
94.98119	0.2
96.96025	0.7
97.03008	0.1
101.02478	0.2
116.92934	0.1
125.02490	0.2
133.03027	0.1
148.99069	0.1
152.98582	0.1
152.99652	0.1
163.11340	0.1
164.98712	0.1
171.10347	0.2
194.21051	0.1
201.11377	0.1
207.10333	0.1
209.11853	0.8
210.12184	0.1
211.13454	0.3
225.00652	0.3
225.11395	0.1
227.12886	0.1
275.02267	0.1
276.55945	0.1
301.00082	0.2
345.69467	0.1
397.13712	0.2
428.21121	0.1
620.97430	0.1
833.37640	0.1
850.41376	0.2
851.40265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.98831	100.0
62.98540	0.1
63.99277	0.1
69.03449	0.1
69.45667	0.1
71.01389	1.9
71.69317	0.1
72.99335	0.1
73.02968	0.2
78.95935	0.1
78.98616	0.1
79.95741	0.7
80.02718	0.1
80.96520	0.6
81.03464	0.1
83.05038	0.2
85.02962	0.1
87.00909	0.1
88.98810	0.1
89.02446	0.2
94.98111	0.3
95.01400	0.1
95.05019	0.1
96.44210	0.1
96.96039	0.2
97.02970	0.1
101.02451	0.3
109.06646	0.2
113.02472	0.2
119.03494	0.1
125.02483	0.2
125.09753	0.1
135.08194	0.1
161.04567	0.1
163.11330	0.2
164.98666	0.1
165.12840	0.1
171.10297	0.6
179.05583	0.1
181.12389	0.1
197.11830	0.1
198.12126	0.1
201.11346	0.4
207.10272	0.5
209.11838	2.2
210.12323	0.1
211.13321	0.1
221.06653	0.1
225.00789	0.2
225.11319	0.8
227.12901	0.3
232.63036	0.1
235.08252	0.1
243.12514	0.1
253.09505	0.1
309.20679	0.1
310.21088	0.1
327.21823	0.1
376.06595	0.1
397.13489	0.6
415.14581	0.2
415.72736	0.1
433.42657	0.1
605.24939	0.1
623.25812	0.1
681.29071	0.1
797.36627	0.1
815.36908	0.1
833.38751	0.2
850.40234	0.1
851.38666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.1
61.98831	100.0
62.98536	0.2
62.99255	0.1
63.99260	0.1
71.01390	0.4
71.70985	0.1
75.00838	0.1
78.95953	0.1
79.95754	0.1
80.96501	0.3
83.05087	0.0
89.02444	0.0
94.98116	0.1
96.96024	0.2
96.96972	0.1
97.03008	0.0
101.02518	0.1
109.06593	0.1
125.09760	0.1
163.11296	0.1
164.92410	0.0
171.10341	0.2
197.11874	0.1
206.99406	0.0
207.10333	0.1
209.11844	0.4
210.12163	0.1
211.13417	0.1
223.09787	0.0
225.00795	0.1
225.11383	0.1
227.12872	0.1
255.37875	0.0
291.19662	0.0
309.20627	0.1
311.22495	0.1
358.36032	0.0
397.13632	0.1
681.28564	0.2
851.38568	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98831	100.0
62.98529	0.3
63.99263	0.4
71.01382	0.7
71.67712	0.1
78.91911	0.1
78.95914	0.4
79.95754	0.3
80.96516	0.9
85.02977	0.1
87.00933	0.1
88.98812	0.2
89.02457	0.1
94.98110	0.3
96.96008	1.0
96.96954	0.1
101.02454	0.2
125.02451	0.1
146.37743	0.1
150.30598	0.1
152.98598	0.1
163.11314	0.1
164.98666	0.2
165.39557	0.1
171.10292	0.3
173.04523	0.1
174.88950	0.1
207.10306	0.3
209.11861	1.0
210.12347	0.1
211.13391	0.2
225.00763	0.3
225.11288	0.2
227.12950	0.1
253.09196	0.1
291.19720	0.2
309.20755	0.1
341.23514	0.2
397.13770	0.2
765.33844	0.3
850.40295	0.2
851.40955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.1
61.98832	100.0
62.98551	0.1
66.11652	0.1
71.01382	0.4
71.56873	0.1
78.91893	0.2
78.95921	0.1
79.95736	0.1
80.91708	0.2
80.96533	0.3
83.05040	0.1
89.02414	0.1
96.96003	0.1
101.02499	0.1
103.46198	0.1
109.06633	0.1
125.02433	0.1
168.21185	0.1
171.10297	0.1
207.10303	0.1
208.86264	0.1
209.11829	0.4
211.13530	0.1
225.00795	0.1
225.11313	0.1
227.12897	0.1
254.98781	0.1
287.65591	0.1
318.78577	0.1
851.41260	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.0
61.02523	0.6
61.98824	4.2
69.03465	0.9
71.01387	14.2
71.74115	1.0
73.02937	2.5
77.58594	0.5
78.95927	0.7
80.96513	0.9
83.01391	1.5
83.05026	1.0
85.02968	4.1
87.00899	2.7
89.02454	10.5
95.01391	1.3
95.05041	1.0
97.02958	2.3
97.06618	3.9
99.00897	1.2
101.02464	10.2
113.02460	4.7
119.03499	2.9
125.02479	3.2
133.10258	0.7
143.03510	0.7
151.11304	11.5
161.04623	1.2
169.12363	42.9
170.12711	1.5
176.90053	0.7
195.10378	1.2
198.31465	0.7
211.13448	0.8
213.11349	5.5
221.06686	2.4
235.08171	1.0
255.23289	47.0
256.23593	3.7
292.04269	0.6
298.21057	0.6
332.64642	0.7
333.34998	0.6
389.67462	0.6
393.11584	0.6
397.13547	2.0
593.24255	1.3
611.25500	0.8
849.48920	100.0
850.49146	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	849.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	24.8
61.98829	12.5
63.01097	1.1
67.01888	1.2
69.03464	3.7
71.01392	20.9
71.74480	1.4
72.99306	3.5
73.02947	4.6
80.19227	1.1
81.03477	2.8
83.01386	2.3
83.05016	10.7
84.02155	2.1
85.02967	5.3
86.15504	1.1
87.00894	5.5
88.98824	1.9
89.02460	13.6
93.03464	1.5
95.01408	2.6
96.96010	2.0
97.02956	3.6
97.06596	1.5
99.00910	1.9
101.02458	12.7
107.01427	6.2
109.06606	1.4
110.50922	1.1
111.00904	2.9
113.02448	7.3
116.92877	1.9
119.03499	1.8
119.05093	1.1
123.00928	5.9
123.04501	1.8
124.01696	1.7
125.02468	38.3
126.02759	1.9
137.02382	1.5
139.00374	1.7
139.04045	1.1
140.01158	2.0
143.03529	1.3
149.02457	1.5
150.03203	2.0
151.00414	3.9
161.04582	2.8
163.04016	1.3
163.11322	6.7
165.12843	4.2
168.00681	2.1
169.01453	40.0
169.12360	14.8
170.01735	2.5
171.10297	2.4
175.02463	3.2
181.05086	2.2
181.12326	2.4
191.10788	1.6
195.06638	2.5
197.11833	25.8
198.12244	1.5
207.10262	1.5
209.11845	100.0
210.12202	6.8
211.02301	1.4
211.13399	19.6
213.14960	4.1
225.11459	1.6
227.12926	11.2
235.08275	3.4
241.14412	11.2
251.12939	2.1
253.09311	4.3
253.14442	1.8
275.02136	1.7
300.99817	3.2
313.05713	7.9
314.05835	1.2
337.46243	1.1
397.13492	3.4
415.14478	2.2
445.20834	2.9
447.22278	2.4
651.33887	3.1
669.34448	5.4
679.37347	3.4
680.37592	2.6
681.37628	1.5
687.36652	2.0
849.25757	15.4
849.38251	75.7
850.25806	5.0
850.39270	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	849.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.0
60.81563	0.4
61.98835	1.2
63.38522	0.4
69.03458	6.5
69.59788	1.0
69.60210	2.5
71.01387	13.8
71.05032	1.4
72.99324	1.0
73.02950	2.6
75.00873	1.2
80.02687	1.5
81.03448	2.5
83.01398	2.0
83.05038	5.8
84.02189	1.3
85.02961	3.8
87.00895	3.0
89.02460	9.0
95.01411	1.9
95.05050	1.1
97.02951	1.6
97.06601	1.1
99.00899	1.3
99.04657	0.5
101.02458	8.2
102.05656	0.4
108.02179	0.5
109.06633	0.6
111.00851	0.5
111.04562	0.4
113.02471	3.3
115.00378	1.2
118.91187	0.4
119.03526	1.8
123.08178	1.3
124.01701	0.6
125.02481	2.5
125.06098	0.7
125.09766	2.7
128.33165	0.4
131.03531	0.5
133.11696	0.4
135.08177	0.9
137.09814	0.5
139.03986	0.5
143.03499	0.5
147.11877	0.6
151.11250	2.6
153.12885	1.7
161.04556	0.9
161.09766	4.0
162.10042	0.5
163.11307	6.0
165.12862	2.6
169.01300	0.5
171.10269	0.8
175.02490	1.4
179.10811	7.1
180.10985	0.6
181.12332	1.0
185.11897	0.6
187.07797	0.5
197.11848	44.8
198.12228	2.8
209.11844	69.5
210.12177	3.7
221.06747	2.2
223.09735	1.2
225.11308	0.9
227.12941	3.5
235.08167	1.1
239.74480	0.4
241.01802	0.4
241.10863	3.1
397.13470	1.9
639.24976	0.8
731.35236	0.7
733.99420	0.6
831.36591	0.5
849.37964	100.0
850.38318	25.3
872.52570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
60.99279	0.1
61.98832	100.0
62.98534	0.2
69.58768	1.4
71.01392	0.4
72.99335	0.2
78.95924	0.4
80.69183	0.2
80.96538	0.3
83.23791	0.1
88.98816	0.7
89.02428	0.2
93.23708	0.2
94.98114	0.2
96.96023	1.8
96.96992	0.4
121.02973	0.2
160.53853	0.1
209.11858	0.6
211.13422	0.4
227.13008	0.3
272.00949	0.2
338.44647	0.2
630.23224	0.2
737.15393	0.2
883.10645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98829	100.0
62.98536	0.1
66.43964	0.1
70.01601	0.2
70.02014	0.2
71.01385	1.0
72.99329	0.2
73.02941	0.1
75.00845	0.1
79.95747	0.2
80.96522	0.1
83.05038	0.2
88.98818	0.2
89.02457	0.1
93.03462	0.2
94.98088	0.1
95.01376	0.1
99.00935	0.1
101.02507	0.2
109.06587	0.1
111.04560	0.1
113.02462	0.1
127.07687	0.1
161.09737	0.1
163.11328	0.1
171.10345	0.4
172.10632	0.1
173.04605	0.3
173.08206	0.1
207.10342	0.3
208.10507	0.1
209.11847	1.2
209.13716	0.1
210.12242	0.3
223.09755	0.2
225.11299	0.3
226.11699	0.1
227.12926	0.2
253.09203	0.1
277.21686	0.1
393.44611	0.1
397.13724	0.3
399.09598	0.1
415.14771	0.1
672.33344	0.1
673.33740	0.1
849.39722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.6
60.99298	0.6
61.98838	4.4
67.01888	0.8
68.99824	1.1
69.03442	2.4
70.60989	1.5
71.01389	24.7
72.99313	2.0
73.02959	3.6
75.00884	0.9
79.01907	0.6
80.02679	2.0
81.03455	2.6
83.01398	3.1
83.05022	8.8
84.02177	1.8
85.02958	7.0
87.00881	5.3
88.98811	0.9
89.02461	13.8
93.03488	1.0
95.01413	3.6
95.05033	1.9
96.96035	2.1
97.02967	4.1
97.06621	1.4
99.00888	1.8
101.02461	15.8
107.01409	7.3
109.02986	1.7
109.06590	0.8
111.00908	2.9
111.04546	1.5
113.02478	6.9
115.00373	0.7
116.92899	0.6
119.03526	3.1
119.05032	0.8
121.02966	1.5
123.00909	10.0
123.04549	0.9
124.01746	1.0
125.02470	45.7
125.06094	0.8
126.02802	1.4
131.03470	1.0
135.08188	0.8
136.01649	1.3
137.02446	2.6
139.00381	2.0
139.04008	1.3
140.01144	2.1
141.01961	2.3
143.03534	0.7
144.44464	0.6
149.02454	0.7
150.03333	0.6
151.00377	4.6
151.04007	1.2
151.11311	1.9
153.01924	1.1
153.12886	2.2
161.04558	2.2
161.05994	1.0
163.04031	1.0
163.11295	5.3
165.05585	1.2
165.12868	3.0
167.03447	0.6
168.00642	2.6
169.01450	44.3
169.12360	19.5
170.01768	1.6
170.12749	0.7
171.10306	2.1
173.06137	0.8
179.05655	1.3
179.10818	1.4
179.30379	0.7
181.12364	1.0
183.02992	2.2
191.03339	0.7
191.10800	1.3
197.11842	44.2
198.12207	2.2
209.11844	86.3
210.12152	4.6
221.06709	2.7
223.09764	2.7
225.11310	1.1
227.12895	5.9
235.08340	1.5
241.10762	0.9
249.03989	0.7
260.19400	0.6
265.20795	0.7
269.04349	0.9
275.01984	0.8
281.04623	0.6
299.09106	1.0
300.34116	0.6
301.00073	1.4
313.05627	9.1
397.13638	6.3
398.13791	0.9
415.14536	1.7
621.24841	0.8
831.37408	0.8
849.25696	24.2
849.38367	100.0
850.25989	6.9
850.38678	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.5
60.99313	4.9
61.98834	27.6
62.36955	0.6
62.49908	0.5
69.03454	0.8
71.01388	6.9
71.75018	1.0
72.99314	13.1
73.02953	0.9
75.00887	1.3
79.95713	0.5
80.02697	1.3
80.96526	1.4
81.03462	1.9
83.05027	5.3
85.02948	1.2
87.00882	0.8
88.98817	25.8
89.02459	3.7
89.99148	2.0
90.99241	1.1
91.00401	1.3
97.02958	2.1
99.88400	0.6
101.02457	2.9
109.06599	1.3
111.08188	3.0
113.02473	1.9
119.03493	0.7
125.02470	0.7
125.06045	0.7
125.09680	0.6
135.08195	1.1
161.04579	2.0
163.11278	3.9
165.12872	3.5
169.12366	1.6
171.10291	2.6
177.12669	0.5
179.14328	0.7
181.12340	1.1
183.08737	0.5
183.13893	1.2
197.11842	16.8
198.12277	0.9
207.10204	1.3
209.11842	100.0
210.12181	4.6
211.13516	3.2
225.11348	1.1
227.12900	14.5
228.13187	1.0
235.08224	4.1
239.16568	1.0
247.20555	1.3
253.09300	13.6
263.20255	1.2
265.18036	0.9
273.18600	1.0
291.19647	19.6
292.19974	1.7
309.20721	44.0
310.20920	3.0
379.12460	0.6
397.13651	0.9
445.20724	3.3
446.21057	0.7
501.32352	0.8
527.28241	0.9
545.29327	2.9
554.08984	0.7
737.42267	0.9
847.42389	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	847.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.9
60.99305	1.1
61.98833	47.6
68.78180	0.5
68.99828	0.7
69.03477	1.5
70.84406	1.4
70.84766	1.7
71.01386	89.0
71.05070	0.6
71.09616	0.6
72.01723	0.8
72.99345	1.1
73.02956	2.7
74.55771	0.7
75.00880	2.4
78.91907	0.7
78.95907	1.5
79.95778	0.6
80.02693	1.8
80.96511	1.1
81.03474	2.8
83.01399	1.1
83.05035	6.7
84.02189	1.6
85.02975	2.2
87.00920	1.6
88.98819	6.2
89.02451	4.6
93.03461	0.7
95.01402	0.7
95.05051	1.7
97.02970	3.9
97.06572	1.4
99.00879	1.4
101.02450	6.1
106.04243	0.7
107.05041	0.8
109.06612	15.5
110.03770	1.2
111.00909	1.0
111.04546	0.8
113.02477	3.1
119.03587	0.7
121.06623	1.1
123.08165	1.1
125.02498	1.0
125.06164	0.8
125.09723	2.6
127.11302	1.3
135.08209	2.3
137.02408	0.6
139.07635	0.7
142.02696	1.4
145.05116	0.7
148.84869	0.7
155.10757	0.7
157.37022	0.6
161.04688	1.5
161.09836	1.2
163.11310	14.2
165.12839	3.7
171.01909	0.7
171.10295	24.7
172.10614	1.2
179.05591	0.6
179.10823	0.9
181.12360	4.1
185.11867	2.5
189.09114	1.4
189.12903	0.9
191.10777	1.1
197.11909	1.2
199.09801	1.2
199.13318	0.9
201.11301	11.5
202.11694	1.0
207.10277	36.8
208.10576	2.0
209.11844	100.0
210.12166	6.8
211.13417	1.8
215.12903	0.8
225.11334	31.0
226.11684	1.6
227.12888	13.0
235.08218	4.3
235.13530	0.9
243.12411	2.1
251.12990	1.0
253.09273	11.9
254.09454	0.7
263.13019	0.8
373.24054	0.8
397.13806	0.7
399.21826	2.6
407.19397	0.7
417.22803	2.5
443.19153	1.5
461.20215	8.6
462.21136	0.9
635.31091	3.5
653.31854	4.4
654.31946	1.1
671.32996	7.0
672.33740	3.4
689.34283	1.4
847.40259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.1
60.99296	3.1
61.98833	19.6
69.70645	4.5
71.01393	6.0
71.05056	0.5
72.99315	7.0
73.02921	1.2
75.00883	2.9
78.95908	1.5
80.02668	0.6
81.03483	1.6
83.01387	0.7
83.05042	4.9
85.02967	1.8
86.71056	0.6
87.00877	0.9
88.98818	18.5
89.02455	4.0
89.99136	0.8
90.99232	0.9
91.00381	0.8
95.05009	1.1
97.02956	0.8
97.06603	1.6
98.19916	1.0
101.02491	4.2
103.82737	0.6
105.83137	0.5
109.06604	1.9
113.02478	1.6
113.90035	0.7
119.03448	0.7
123.04533	0.8
125.02453	1.0
125.09749	2.3
135.08147	1.3
137.09731	1.5
142.02786	0.5
161.04558	1.0
162.34421	0.6
162.35622	0.6
163.11339	6.0
165.12859	2.4
171.10257	3.0
181.12346	1.5
182.00740	0.5
185.11865	2.9
191.10838	0.9
191.14461	2.4
197.11943	0.6
207.10271	3.3
209.11847	100.0
210.12187	6.2
211.13457	1.4
225.11404	2.2
227.12901	11.7
235.08182	2.3
237.11404	1.2
237.25856	0.6
245.19089	5.5
253.09274	9.5
263.20148	1.8
271.17111	0.9
281.09955	0.7
289.18088	23.8
290.18362	1.8
291.19894	0.7
293.21143	3.5
307.19144	25.0
308.19464	2.3
309.20541	1.2
321.78128	0.6
397.13797	0.8
445.20840	2.2
525.27118	1.0
543.28180	1.4
637.32642	2.5
735.39380	1.3
753.40967	1.1
773.21747	0.7
785.40015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
59.64113	0.4
61.98831	1.2
63.96230	1.7
64.97044	0.5
69.03456	0.5
71.01385	9.1
71.10380	0.8
73.02953	1.9
75.63103	0.4
78.95899	1.2
78.98598	7.0
79.95744	21.6
80.96523	100.0
81.03463	0.9
83.01399	0.6
85.02955	3.3
87.00867	4.4
94.98098	20.4
95.01395	0.5
96.96021	2.2
97.02969	2.5
99.00903	0.8
101.02446	2.6
106.98103	3.8
113.02497	0.7
115.92118	0.4
122.97604	5.8
125.02471	3.4
127.04013	0.7
134.97581	6.0
136.99164	2.0
146.97647	0.4
147.03922	0.4
148.99173	6.0
152.98642	7.1
161.04573	0.6
164.97273	0.8
164.98650	14.0
166.06778	0.4
167.00208	0.4
181.43127	0.4
206.99736	3.3
209.11848	0.6
225.00745	21.7
226.01006	0.6
255.23279	2.9
283.04913	0.5
387.73352	0.4
537.27289	1.9
589.23273	1.5
845.47583	92.4
846.47968	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	845.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	38.0
61.98835	7.4
69.03458	1.3
71.01388	44.1
71.73730	0.6
72.01706	0.9
72.99306	2.6
73.02950	15.1
75.00872	1.2
78.95918	0.8
78.98572	0.5
83.01395	10.5
83.05016	1.1
85.02956	26.2
86.00086	0.9
87.00893	3.3
88.98824	0.9
89.02454	7.9
95.01399	4.3
97.02962	2.8
99.00891	9.0
101.02457	38.1
109.06604	0.9
111.00898	1.9
113.02460	16.6
116.92908	0.6
119.03535	1.3
125.02451	3.5
129.01956	1.3
131.03514	5.4
133.30562	0.6
135.04529	0.7
137.02448	0.8
141.01929	0.7
143.03523	2.7
149.04565	0.8
159.03017	3.5
159.04187	0.6
161.04570	5.3
163.11272	0.9
169.01497	0.8
191.31750	0.5
207.10266	1.8
209.11864	2.9
211.13446	0.8
221.11769	0.8
225.11285	1.8
229.31924	0.6
239.12833	0.7
266.46307	0.6
300.99829	1.9
352.88562	0.6
357.20325	0.6
397.13858	1.1
475.34421	1.1
489.35965	0.7
491.37396	17.5
492.37592	3.2
509.37820	0.6
653.42780	82.5
654.32410	1.1
654.43170	16.6
782.39166	0.6
785.47192	100.0
786.47546	23.3
822.23999	0.7
845.39948	1.0
846.39612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
60.99306	17.4
61.98829	1.9
71.01385	0.4
71.74851	0.1
71.75240	0.2
72.99310	0.2
87.00877	0.7
88.00399	1.7
88.98815	100.0
89.02450	6.2
89.99156	0.8
97.54333	0.1
116.18959	0.2
117.03496	0.8
120.00080	0.1
145.02972	2.1
145.45749	0.2
158.45264	0.1
161.20787	0.1
173.41512	0.1
197.11850	0.2
207.10309	0.2
208.15224	0.1
209.11850	1.7
210.12256	0.2
211.13457	0.3
225.11307	0.2
227.03410	0.2
227.12769	0.2
253.09480	0.1
255.02917	0.7
283.02426	0.2
284.03210	0.4
285.03964	0.4
300.99850	0.2
306.01538	0.2
307.02142	0.2
309.20792	1.0
466.03052	0.2
639.10950	0.2
699.13501	0.4
845.16876	0.4
846.16870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.5
61.98830	77.7
63.02403	0.9
65.00329	1.1
71.41567	0.7
83.01397	1.5
88.98829	0.6
93.03458	1.5
107.01401	2.4
109.02954	0.7
117.03480	10.1
117.98481	0.3
119.05029	3.3
121.02954	0.4
123.00932	0.5
123.04534	0.4
131.05061	0.5
133.02922	0.4
135.00894	0.5
137.02478	0.3
143.05045	0.9
145.02969	35.0
146.03317	1.4
151.00374	4.5
155.04984	0.5
157.06572	1.0
159.04538	1.3
161.06075	0.3
163.00406	1.6
163.04016	3.0
165.01851	0.4
167.05064	0.6
169.01462	1.7
169.06720	0.6
171.04543	0.7
183.04526	0.9
185.06123	1.9
187.04034	2.8
187.29878	0.3
189.05547	0.9
195.04492	0.4
196.05107	0.4
197.06099	0.6
199.03969	0.8
201.05618	0.7
209.11789	1.0
211.03995	2.0
213.05540	1.2
214.02708	0.5
215.03485	0.5
217.66124	0.4
223.03972	0.4
223.13332	0.3
227.03497	6.0
228.03838	0.4
229.05045	7.3
231.85680	0.4
239.03496	1.2
240.04170	0.8
241.05042	1.2
255.02963	11.3
256.03568	2.1
257.04544	5.0
267.03073	0.8
283.02481	2.6
284.03244	8.5
285.04031	100.0
286.04385	7.8
300.99805	0.6
349.09293	0.6
390.48947	0.4
467.03046	0.4
483.30981	0.4
484.31622	0.4
495.12915	12.3
496.13376	1.8
517.31775	2.7
518.32031	0.7
582.43732	0.4
617.12787	1.9
618.13232	0.4
635.14166	4.1
636.15399	0.7
781.17938	17.7
782.18182	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	844.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.5
60.31641	0.2
61.98833	100.0
62.98529	0.3
63.02401	1.0
65.00335	0.8
68.73691	0.2
69.66718	0.2
71.32883	0.3
73.12543	0.2
83.01422	0.7
91.01908	0.3
93.03462	1.5
100.07750	0.2
107.01385	2.2
109.02965	0.2
117.03482	7.2
118.03815	0.3
119.05042	2.5
121.02979	0.7
125.02469	0.4
131.05054	0.3
135.00882	0.8
137.02521	0.3
143.05045	0.5
145.02977	27.4
146.03273	1.1
151.00400	2.8
154.04367	0.3
155.04933	0.2
157.06619	0.2
159.04567	1.2
161.06140	0.2
163.00412	0.9
163.04015	2.1
164.01112	0.3
167.04996	0.2
169.01398	1.0
169.06619	0.7
171.04518	0.6
173.06032	0.3
183.04568	0.5
185.02551	0.4
185.06108	1.2
187.04037	2.6
189.05544	0.5
195.04547	0.5
196.05263	0.2
197.06110	0.4
199.04021	0.7
201.05531	0.4
209.11850	0.5
211.04051	1.3
212.04568	0.2
213.05533	1.2
214.02657	0.3
215.03506	0.3
217.05063	0.2
223.04160	0.2
227.03525	4.6
228.03868	0.5
229.05063	5.6
230.05493	0.4
239.03600	1.0
240.04266	0.3
241.05017	0.8
248.02936	0.2
255.02994	9.5
256.03494	1.8
257.04559	4.2
267.03003	0.4
268.03592	0.2
283.02530	2.3
283.05466	0.3
284.03262	7.2
285.04047	80.6
286.04379	6.1
286.07635	0.3
287.04575	0.5
288.05191	0.2
300.99930	0.4
349.09268	0.4
430.45477	0.2
435.10596	0.4
466.02640	0.5
466.52649	0.5
495.12958	10.7
496.13504	1.2
542.80377	0.2
582.79211	0.2
617.13501	1.2
618.13641	0.2
635.14197	3.6
636.14569	0.6
781.17975	15.2
782.18292	3.8
844.22064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
61.98831	100.0
62.98537	0.4
63.02423	0.4
65.00341	0.5
71.01397	1.0
73.02953	0.3
75.00893	0.4
75.49657	0.2
83.01421	0.6
88.98793	0.3
89.02456	0.3
92.77592	0.2
93.03487	0.9
95.01413	0.2
96.96043	0.2
98.19884	0.4
101.02484	0.4
102.89377	0.2
107.01416	1.4
109.02968	0.4
113.02507	0.5
116.92910	0.4
117.03480	4.9
119.05043	2.8
120.05377	0.2
121.02959	0.3
123.00922	0.5
125.02454	0.6
135.00868	0.3
137.02469	0.3
143.04979	0.3
145.02974	20.3
146.03293	1.0
151.00412	1.8
154.04251	0.3
157.06654	0.3
159.04497	0.3
163.00394	0.8
163.04039	2.7
164.01059	0.3
165.01868	0.2
169.01433	1.0
169.06625	0.7
171.04623	0.3
173.02451	0.3
183.04515	0.5
185.02249	0.4
185.06082	1.2
186.57594	0.3
187.03957	1.2
187.35265	0.2
189.05605	0.5
192.36865	0.2
195.04535	0.3
197.06023	0.4
199.03917	0.3
201.05573	0.5
209.11812	0.8
211.04004	1.1
213.05580	0.9
215.03458	0.4
225.11382	0.3
227.03517	3.2
227.07100	0.3
228.04063	0.3
229.05052	4.3
239.03503	0.9
241.05119	0.6
249.04112	0.3
255.02965	6.8
256.03552	1.0
257.04538	3.0
267.02713	0.3
271.06183	0.3
275.01968	0.7
283.02493	1.7
284.03250	6.8
285.04031	47.3
286.04376	3.4
289.07330	0.3
299.85391	0.2
300.99933	0.8
315.43811	0.3
346.60211	0.2
349.09143	0.3
435.10843	0.4
445.27820	0.2
457.52359	0.3
465.51999	0.4
466.02966	1.8
466.52808	1.1
467.02908	0.3
495.12894	5.6
496.13422	0.7
617.13342	1.4
635.14160	3.9
636.14734	0.8
781.18011	15.4
782.18353	4.2
843.42114	0.3
844.42877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99309	17.9
61.98826	1.4
71.01410	0.3
71.72888	0.4
83.67846	0.2
87.00883	0.9
88.00414	2.0
88.98817	100.0
89.02453	7.3
89.99149	0.9
96.03305	0.2
96.96025	0.3
111.00895	0.2
116.92913	0.3
171.10292	0.8
207.10263	0.3
209.11850	1.1
215.95711	0.2
223.13388	0.9
225.11375	0.4
227.12961	0.3
240.30939	0.2
243.86270	0.2
253.09372	0.4
275.02008	0.3
289.18219	0.4
291.19693	0.7
300.99728	0.3
303.70752	0.2
307.19162	0.4
341.23355	0.6
350.64587	0.2
466.02850	0.5
823.96002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.5
61.98830	77.7
63.02403	0.9
65.00329	1.1
71.41567	0.7
83.01397	1.5
88.98829	0.6
93.03458	1.5
107.01401	2.4
109.02954	0.7
117.03480	10.1
117.98481	0.3
119.05029	3.3
121.02954	0.4
123.00932	0.5
123.04534	0.4
131.05061	0.5
133.02922	0.4
135.00894	0.5
137.02478	0.3
143.05045	0.9
145.02969	35.0
146.03317	1.4
151.00374	4.5
155.04984	0.5
157.06572	1.0
159.04538	1.3
161.06075	0.3
163.00406	1.6
163.04016	3.0
165.01851	0.4
167.05064	0.6
169.01462	1.7
169.06720	0.6
171.04543	0.7
183.04526	0.9
185.06123	1.9
187.04034	2.8
187.29878	0.3
189.05547	0.9
195.04492	0.4
196.05107	0.4
197.06099	0.6
199.03969	0.8
201.05618	0.7
209.11789	1.0
211.03995	2.0
213.05540	1.2
214.02708	0.5
215.03485	0.5
217.66124	0.4
223.03972	0.4
223.13332	0.3
227.03497	6.0
228.03838	0.4
229.05045	7.3
231.85680	0.4
239.03496	1.2
240.04170	0.8
241.05042	1.2
255.02963	11.3
256.03568	2.1
257.04544	5.0
267.03073	0.8
283.02481	2.6
284.03244	8.5
285.04031	100.0
286.04385	7.8
300.99805	0.6
349.09293	0.6
390.48947	0.4
467.03046	0.4
483.30981	0.4
484.31622	0.4
495.12915	12.3
496.13376	1.8
517.31775	2.7
518.32031	0.7
582.43732	0.4
617.12787	1.9
618.13232	0.4
635.14166	4.1
636.15399	0.7
781.17938	17.7
782.18182	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	841.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.0
65.98314	0.1
66.63938	0.2
67.01894	0.7
67.02200	0.1
68.99820	1.1
69.03448	0.9
70.74858	0.4
71.01386	9.2
72.99310	2.4
73.02947	1.1
75.00877	9.6
81.03452	0.7
83.01398	0.8
83.05003	0.2
84.02193	0.2
85.02959	11.3
86.03283	0.2
86.14185	0.1
87.00879	2.9
89.02445	2.1
91.04008	0.4
93.03482	1.0
95.01397	3.2
97.02984	0.3
99.00891	5.8
101.02468	0.3
102.17281	0.2
103.00368	0.9
109.02964	0.4
111.00904	0.8
111.04514	0.3
113.02464	12.7
114.02786	0.2
115.00381	0.9
115.04046	0.3
117.01959	1.6
121.02969	51.0
122.03293	1.7
125.02469	0.5
129.01962	1.0
130.99828	0.2
139.00366	0.2
139.04036	0.1
157.01396	0.5
169.01492	0.3
175.02495	1.5
189.04083	0.7
193.96892	0.1
231.02818	0.3
231.05099	3.3
249.06151	31.6
250.06517	1.2
275.02145	0.2
300.99963	0.3
311.07562	0.3
353.08795	0.6
371.09839	100.0
372.10190	8.2
402.02576	0.2
414.35577	0.2
459.39398	0.2
469.17719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.1
61.98832	2.7
63.02393	1.1
65.00323	0.9
71.01373	0.8
75.21667	0.2
78.95887	0.4
80.96519	0.4
83.01388	0.5
87.00874	0.3
88.98820	0.5
91.01906	0.7
93.03465	2.6
95.01410	0.3
96.96021	1.1
96.96993	0.3
101.02425	0.3
107.01396	2.6
108.59303	0.3
109.02950	1.2
113.02449	0.4
116.92891	0.7
117.02710	0.5
117.03474	4.4
119.01373	0.3
119.05038	1.8
120.73908	0.3
121.02115	0.5
121.02975	7.0
122.30777	0.2
123.00941	0.4
125.02454	0.4
131.05074	0.6
132.02185	0.3
135.00902	1.3
137.02492	0.4
143.04996	1.4
145.02972	12.3
145.06558	0.3
146.03284	0.5
151.00386	2.4
153.01901	0.6
154.04219	0.5
155.05042	0.5
157.06604	1.1
158.03670	0.4
159.04536	1.8
161.06070	0.4
163.00374	3.0
163.03999	1.0
165.01892	0.6
167.04979	0.9
169.01427	0.8
169.06618	1.1
171.04539	1.0
171.10313	0.5
173.02460	0.3
173.05846	0.3
182.03746	0.6
183.04546	1.7
184.05299	0.4
185.02522	0.4
185.06096	3.1
187.04002	3.9
188.04381	0.4
189.05553	0.8
195.04523	1.2
196.05258	0.4
197.06110	0.9
199.04051	1.2
200.04596	0.4
201.05527	0.8
209.11867	1.0
211.03998	2.8
212.59262	0.3
213.05530	2.4
215.03490	0.6
223.03972	0.4
225.11389	0.3
226.02559	0.4
227.03502	11.0
227.12946	0.4
228.03862	0.6
229.05061	12.8
230.05415	0.8
239.03421	1.6
240.04260	1.3
241.05026	1.9
243.02853	0.4
255.02969	19.4
256.03589	3.4
257.04541	7.0
267.02930	1.1
268.03824	0.4
271.02390	0.3
283.02493	4.2
284.03247	15.1
285.04028	100.0
286.04401	7.1
300.02579	0.3
300.99875	0.5
313.07321	0.8
374.54770	0.3
537.13800	0.6
573.12256	1.5
617.13507	0.5
659.14496	1.1
677.15192	6.1
678.15955	0.9
695.16260	2.7
696.17010	0.4
719.16577	2.2
720.16913	0.4
781.36310	0.3
823.19189	5.6
824.18695	1.2
841.20447	4.1
841.37579	0.4
841.43347	0.4
842.20728	0.8
874.87933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.4
61.98833	74.1
63.99236	3.7
71.01381	10.2
71.43385	2.5
79.24610	2.2
79.95744	8.9
80.91697	8.6
80.96535	10.7
82.95443	3.6
82.96124	4.5
83.01398	3.3
83.05047	3.0
85.02959	4.2
87.00889	4.2
87.76660	2.3
88.98812	5.0
89.02461	5.4
96.96003	4.7
97.02970	4.0
97.06578	3.3
99.00932	3.4
101.02476	5.6
108.81083	2.6
109.06591	5.9
113.02446	3.0
115.13034	3.3
121.03014	2.7
125.02461	3.2
125.09772	5.3
145.03000	4.7
154.71654	2.4
163.11328	8.5
171.10309	10.8
185.11958	2.7
189.04182	3.0
197.11826	6.7
201.11363	4.8
207.10269	11.5
209.09833	5.1
209.11832	100.0
210.12198	6.4
225.11392	15.5
227.12868	25.2
229.51294	3.0
233.42438	2.4
235.08257	6.0
245.19095	4.1
253.09258	19.6
289.18002	20.5
291.19733	8.5
293.21152	3.3
300.02679	3.1
307.19080	26.4
308.19696	2.9
309.20737	15.0
449.08533	3.1
461.20230	4.0
474.62915	2.5
485.32605	3.7
487.34656	4.5
517.31409	3.4
593.10004	2.5
771.41968	5.2
834.90491	2.6
839.41193	26.3
840.42523	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	841.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
61.98824	2.2
63.02400	1.2
65.00326	2.0
83.01414	1.1
91.01910	0.5
93.03474	3.1
95.01409	0.5
107.01398	4.1
109.02934	0.5
116.92892	0.7
117.03479	8.3
117.88531	0.3
119.05044	6.1
121.02974	36.8
122.03314	1.2
123.00879	0.5
132.02194	1.4
133.02974	0.4
135.00922	1.9
137.02432	0.4
141.03448	0.5
143.05057	1.3
143.06688	0.4
145.02975	23.6
145.32430	0.3
146.03363	0.9
147.00880	0.4
151.00403	6.0
155.05051	1.2
157.06644	0.5
159.04523	2.0
163.00404	2.4
163.04059	3.1
164.01149	0.9
164.04657	0.6
165.01967	0.7
167.05055	1.0
169.01451	1.4
169.06619	0.5
171.04520	1.2
171.10353	0.4
173.06078	0.4
179.07253	0.4
181.05128	1.2
182.03734	1.3
183.04546	6.0
184.04875	0.5
185.02434	1.3
185.06145	2.3
187.04025	2.7
189.05609	1.0
192.00656	0.4
195.04544	1.0
197.06116	1.0
199.03984	2.0
200.04752	1.1
201.05527	0.6
204.65591	0.4
209.11951	0.9
211.03975	6.0
212.04665	0.9
213.05637	1.9
214.02824	0.5
215.03506	0.5
223.04045	0.4
224.04872	0.4
224.13536	0.4
227.03505	42.7
228.03905	3.5
229.05060	7.2
229.38843	0.4
230.05377	0.6
239.03476	2.5
240.04201	0.8
241.05099	1.2
255.02979	100.0
256.03534	14.7
257.04535	6.2
267.02963	0.6
268.03656	0.7
269.04492	1.2
277.04898	0.6
279.02982	0.8
282.99292	0.8
283.02484	23.9
284.03253	83.7
285.04013	82.6
286.04355	6.4
309.03915	0.5
321.04245	0.5
391.32028	0.4
411.07214	1.2
429.08099	0.5
457.57581	0.4
531.10840	0.6
537.14044	1.0
557.10986	1.3
599.12036	0.8
617.12976	4.0
618.14178	0.5
659.14215	16.9
660.14514	3.7
677.15259	10.1
678.15796	2.2
695.16602	0.7
719.16364	15.8
720.17261	3.3
823.18976	12.1
824.19379	3.5
841.20227	25.1
842.20703	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	839.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	38.8
71.01386	24.1
72.99313	1.9
73.02927	1.7
78.66042	0.8
82.02990	3.3
85.02971	5.8
87.00885	2.0
89.02461	17.7
90.02761	0.9
94.03001	27.3
94.06678	1.6
95.01425	2.9
96.04572	1.1
98.19875	2.0
101.02459	12.5
105.05850	1.1
106.06652	8.5
108.04568	3.5
113.02438	5.8
119.03542	5.6
120.08215	21.8
121.08503	1.2
122.06139	6.1
124.07697	1.0
125.02489	1.7
132.04594	7.1
134.06146	42.4
134.75500	0.9
135.06502	1.4
136.04070	1.4
136.07742	1.1
137.04869	1.8
138.05637	6.5
148.04076	1.4
149.04810	1.1
150.05640	2.9
152.07202	8.6
158.02441	1.8
160.04033	5.2
161.04842	7.0
162.05630	17.8
164.07156	1.1
169.01302	1.3
173.05063	1.1
174.09210	1.1
176.03511	1.1
190.05113	7.8
191.05850	1.0
193.03827	11.8
194.04527	1.0
195.92490	1.0
211.08772	1.1
211.12453	1.0
215.11826	2.1
215.61411	0.9
221.10818	1.1
223.08755	5.3
224.09459	1.9
225.10274	1.8
235.08861	2.0
237.10284	7.3
238.10966	2.1
239.11885	8.6
241.06322	1.0
241.09608	0.9
243.11555	1.3
249.06706	3.4
249.10413	3.4
251.08272	3.6
251.11803	6.2
252.12527	1.3
257.09485	1.6
263.08289	6.9
263.11899	2.3
264.09094	11.7
264.12387	1.8
265.09787	9.7
265.13324	1.8
271.10992	1.5
275.02158	1.1
276.08972	3.1
277.09796	9.3
278.10620	5.1
279.11395	25.5
280.12076	7.6
281.12982	3.6
283.10669	1.7
285.12390	14.1
291.11337	9.5
292.08871	1.7
292.12198	7.0
293.09479	1.2
293.12918	4.1
294.13770	1.4
300.99844	5.3
305.09360	3.1
306.09973	1.4
307.10925	1.6
311.10446	1.9
314.12534	2.3
323.10425	3.4
324.11172	4.4
325.11804	1.7
326.12524	1.8
329.11426	43.6
330.11752	3.6
334.15439	1.2
337.11850	2.5
354.12415	1.5
369.14932	1.0
370.15649	2.7
372.17172	1.5
376.16693	1.3
384.17276	2.8
386.18793	1.8
387.19919	1.1
391.28464	0.9
399.19522	1.9
400.16443	1.5
401.21103	1.2
402.14563	1.1
425.17105	1.3
426.18182	2.9
427.18967	2.2
430.17722	1.5
431.18661	1.1
443.18335	1.1
444.19412	2.9
445.20016	1.7
454.17783	2.2
459.17819	1.8
460.18640	1.3
462.20514	3.9
471.17880	4.2
472.18777	3.9
473.19485	4.3
488.17490	1.1
489.18542	1.8
490.19849	11.2
491.19977	1.4
504.21570	1.0
517.17834	1.5
532.20398	1.1
536.17651	1.0
605.23981	1.1
606.24292	2.3
623.24701	1.8
633.23645	2.2
636.64972	1.1
650.23755	4.3
651.24323	7.2
682.26587	8.1
683.26733	1.6
747.28876	22.7
748.29175	5.5
769.50891	1.5
779.31720	33.3
780.32111	10.8
780.72314	1.2
789.30420	14.6
790.30969	3.1
807.31213	100.0
808.31476	23.6
821.32703	10.6
822.33459	1.9
839.34027	55.4
840.34418	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	839.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
61.98834	16.2
63.02391	2.7
63.47679	0.5
65.00324	5.2
70.07005	2.3
70.10077	0.4
71.01391	1.0
75.30029	0.4
78.95913	0.9
80.91681	0.6
80.96525	1.3
82.95428	0.8
83.01385	2.9
91.01906	1.0
93.03474	1.5
96.96039	0.6
107.01409	10.0
108.02199	1.3
109.02973	4.2
117.03483	6.0
119.01416	0.8
119.05044	5.3
121.02979	7.4
125.02465	0.9
133.03004	0.9
135.00914	1.8
135.04517	0.8
137.36121	0.4
139.04045	0.5
145.02977	16.2
146.03293	0.7
147.00932	0.6
148.01694	2.1
149.02475	0.8
151.00388	32.0
152.00751	1.3
153.01970	0.8
153.06793	0.5
155.05049	0.5
157.02988	0.6
157.06535	0.6
159.04477	1.1
161.02454	2.5
161.06114	0.6
163.00407	6.1
163.04018	3.6
164.01160	1.6
165.01945	0.9
167.05006	0.6
169.01422	3.2
171.04501	1.4
171.10309	0.8
175.03986	1.0
178.98387	0.9
178.99890	15.7
179.03590	0.4
180.00307	0.6
182.03752	0.7
183.04547	1.9
185.06070	0.8
187.04057	2.3
189.05536	0.5
190.99969	1.3
192.00668	0.9
198.03207	0.6
199.04012	3.8
200.04878	0.6
201.01926	1.7
201.05617	1.6
203.03467	0.9
209.11807	1.1
211.03944	3.0
211.13324	1.3
213.01862	0.6
214.02672	0.7
215.03442	2.4
216.04265	1.0
220.14699	0.6
221.15456	1.2
226.02765	2.3
227.03487	7.2
228.03946	0.6
229.01501	0.7
229.05019	1.6
236.10582	1.0
239.03539	0.6
243.02988	14.0
244.03537	1.5
245.04416	2.8
254.02251	3.1
255.02979	37.2
256.03391	3.5
257.04575	1.3
264.24454	0.4
271.02472	81.0
272.02930	7.4
273.03986	2.6
283.02393	3.7
284.03275	3.4
285.04028	4.6
293.17456	1.3
299.02002	13.3
300.02750	100.0
301.03497	95.0
302.03857	6.1
309.20627	0.8
313.03452	1.2
341.02881	0.6
412.03870	0.5
447.07162	4.2
547.10840	10.3
548.11469	1.7
555.10046	0.5
633.12311	0.9
651.13782	1.1
675.13904	2.8
676.14105	0.6
677.15326	0.7
693.14838	46.0
694.15161	9.4
797.18152	1.0
839.18677	24.3
839.36090	0.8
840.18994	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
61.98832	25.6
63.02399	3.0
63.99247	1.0
65.00324	4.6
66.95569	0.3
67.84700	0.3
71.01392	1.7
78.95914	0.4
79.95764	0.7
80.89338	0.3
80.96517	1.5
83.01388	3.6
88.98817	0.5
89.02459	0.4
91.01917	0.8
91.53831	0.4
93.03479	1.5
95.01402	0.4
96.96050	0.7
107.01405	9.9
108.02226	2.5
108.43162	0.3
108.92169	0.3
109.02975	4.6
109.06626	0.9
113.02483	0.5
117.03495	5.5
119.01412	0.8
119.05037	6.0
120.02236	0.3
121.02970	7.5
124.01726	0.7
125.02472	1.0
133.02979	1.0
135.00911	1.6
135.04532	0.8
137.02499	0.5
139.04005	0.6
143.05003	0.7
145.02969	13.0
146.03339	0.7
147.01009	0.5
148.01701	1.5
149.02440	0.9
151.00388	33.3
152.00757	0.8
153.01924	0.5
155.05028	0.5
157.06615	0.4
159.04535	1.5
161.02464	1.4
161.06097	0.4
162.03003	0.4
163.00388	7.0
163.04024	3.2
164.01204	1.8
164.26141	0.3
165.01999	0.9
167.05058	0.5
169.01480	3.4
169.02852	0.6
171.04520	1.4
171.10263	1.0
172.05370	0.4
173.06064	0.7
174.03218	0.6
175.04082	1.0
178.99879	15.3
180.00252	0.6
183.04579	1.8
185.06059	0.4
187.03999	2.5
188.04523	0.4
190.99872	2.1
192.00613	1.0
193.12357	0.4
198.03227	0.8
199.04025	3.9
201.01991	0.6
201.05600	1.2
203.03531	1.0
207.10300	2.5
209.11853	2.0
211.04016	3.1
211.13281	0.5
213.01945	0.6
214.02710	0.4
215.03477	2.1
216.04243	1.1
225.11316	1.4
226.02654	2.2
227.03508	6.6
228.04034	1.0
229.01404	0.6
229.04979	2.4
239.03528	1.3
240.04184	0.5
241.14377	0.5
242.01912	0.4
243.02988	15.4
244.03435	1.4
245.04579	2.7
253.09248	1.2
254.02197	2.6
255.02979	36.1
256.03433	3.4
257.04590	1.3
266.02213	0.5
271.02463	81.6
272.02911	8.6
273.04001	2.9
283.02484	3.8
284.03116	2.0
285.03949	4.1
298.98553	0.6
299.01996	14.8
300.02759	100.0
301.03503	94.7
302.00562	0.3
302.03906	7.7
341.23404	3.8
427.06357	0.5
445.07758	0.4
461.20126	0.7
505.09955	0.4
547.10864	9.4
548.11261	1.4
651.13330	0.8
664.24200	0.4
675.13837	3.1
676.14270	0.7
693.14807	46.6
694.15057	10.4
785.43634	0.8
797.17767	1.4
798.17963	0.5
839.18542	28.3
839.42334	0.9
840.18756	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	837.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.2
61.98829	8.1
69.03452	2.5
71.01386	16.3
71.78994	0.9
73.02925	2.1
78.95911	3.1
79.95751	1.2
80.96507	2.2
81.03461	1.5
83.01385	3.0
83.04974	1.2
85.02956	3.8
87.00882	2.9
87.34780	0.9
89.02454	8.7
95.01371	1.2
95.05040	1.7
96.96035	9.5
97.02975	2.2
97.06590	3.9
98.20648	2.1
101.02464	12.8
109.06605	1.3
111.00919	1.2
111.08184	15.0
113.02462	6.9
116.92878	3.0
119.03534	1.7
123.04525	1.1
125.02461	1.1
125.06150	1.1
125.09754	7.9
135.08209	1.4
137.09737	2.3
143.03430	1.3
145.05067	1.9
151.11360	1.1
153.12965	1.1
161.04561	3.3
163.11261	4.3
165.09238	1.0
165.12849	1.8
167.10782	3.1
169.12321	2.6
171.10245	4.1
177.12830	2.2
179.10846	2.2
181.12354	1.5
185.11839	5.8
186.46562	1.0
191.14487	6.3
193.16010	1.0
195.13922	13.0
197.11838	35.3
198.12180	3.9
199.13394	2.1
201.11334	18.4
202.11632	1.6
205.12308	1.8
207.10220	2.8
209.11833	17.0
210.12222	1.7
211.13419	7.0
223.13432	8.2
225.11293	1.8
227.12851	3.5
235.08304	4.5
237.11281	2.1
245.19038	10.5
247.20644	2.2
253.09285	26.5
254.09477	1.2
255.23303	4.8
256.13037	1.5
263.20084	3.9
271.16974	1.5
275.20203	9.0
277.21689	2.2
279.23184	1.1
289.18085	42.0
289.21329	2.3
290.18399	4.4
291.19644	77.9
292.20020	7.4
293.21216	100.0
294.21512	8.9
307.19168	31.2
308.19421	4.2
309.20715	28.8
310.20987	3.6
377.80728	1.0
397.13712	4.8
415.27075	1.1
445.20764	1.3
448.47461	1.0
553.39990	1.0
681.34595	1.3
837.47394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.2
61.98834	4.6
68.17229	0.2
69.03460	1.0
71.01384	5.0
72.99333	0.3
73.02943	1.4
78.91885	0.5
78.95928	0.7
79.95754	0.4
80.02700	0.3
80.91706	0.6
80.96509	0.4
83.01414	0.3
83.05031	0.6
84.02198	0.3
85.02957	1.3
87.00896	0.9
89.02452	3.0
93.07060	0.3
94.98087	0.4
95.01418	0.5
96.96036	0.6
96.96963	0.4
97.02960	1.4
97.06602	0.5
98.19846	0.7
101.02459	4.1
109.06617	0.7
111.08173	11.7
112.08457	0.2
113.02464	2.2
116.92859	0.2
119.03491	0.7
123.08234	0.3
125.02470	0.3
125.09731	0.6
127.07687	1.2
137.09734	0.4
143.03514	0.5
145.05095	0.4
151.11287	0.8
153.09241	0.3
153.12885	1.1
157.05104	0.2
161.04594	2.3
163.11295	0.8
165.12881	0.9
167.10802	0.6
167.14417	0.3
169.12360	5.3
170.12785	0.3
171.10298	0.8
171.75778	0.3
175.85074	0.3
179.05595	0.7
179.10814	0.5
181.12355	1.9
183.13927	1.4
193.12332	0.8
193.15981	0.3
197.11839	59.3
198.12199	2.9
199.13382	3.6
209.11818	0.9
211.13409	10.2
212.13759	0.8
223.13457	0.4
227.12915	2.1
229.19623	0.4
229.70937	0.3
235.08276	2.2
247.20699	0.9
249.15054	0.3
253.09282	23.6
254.09631	1.1
263.20129	3.8
264.20349	0.4
265.18115	1.5
273.18622	1.0
276.98013	0.2
291.19653	22.8
292.19946	2.4
307.19138	0.5
308.19464	0.5
309.20709	100.0
310.21042	10.6
433.20755	1.0
527.28113	0.5
545.29675	2.9
546.30035	0.4
601.41003	2.2
602.41162	0.5
732.18958	0.3
837.50018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.1
61.98818	2.4
63.96235	1.0
69.03439	1.3
70.66476	1.6
70.66870	2.0
71.01385	10.7
73.02955	1.0
78.98608	8.4
79.95744	16.7
80.96523	100.0
81.03436	0.8
85.02956	4.3
87.00892	3.1
92.70403	0.8
94.98095	19.6
95.01404	0.8
96.96017	2.4
97.02959	1.9
101.02470	2.9
101.21597	0.8
103.29266	0.8
105.21357	0.9
106.98066	3.8
122.97589	6.3
125.02437	3.0
127.03992	1.0
134.97594	5.8
147.42921	0.7
148.99174	6.2
152.98650	9.1
156.10768	0.9
163.38812	0.8
164.98643	13.6
206.99687	2.7
225.00743	15.5
234.25443	0.9
277.21695	3.3
278.21982	1.2
559.25763	2.4
560.27435	1.1
837.48627	87.5
838.48914	25.1
856.98169	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.5
61.98835	10.8
63.96233	1.9
68.39926	0.5
69.03460	1.1
69.43539	4.0
69.43951	1.2
71.01385	14.2
72.99317	0.8
73.02947	3.0
73.84334	0.5
74.99083	0.8
75.00881	0.6
78.95901	0.6
78.98599	6.9
79.95265	0.9
79.95743	24.4
80.96525	86.1
81.03477	1.6
83.01397	1.3
83.05031	1.6
85.02959	5.3
87.00888	4.8
88.98814	0.9
89.02464	4.1
94.98098	17.4
95.01410	1.2
96.96017	5.5
97.02963	2.3
98.20570	0.9
98.95603	1.8
99.00911	1.4
101.02463	5.6
106.97474	0.7
106.98090	4.3
109.02932	0.7
111.00901	1.1
113.02472	2.0
116.92880	2.2
119.03527	1.1
121.03007	0.8
122.97608	3.4
123.00905	1.3
125.02483	6.8
127.04021	1.3
134.97581	6.2
136.99178	2.6
138.97061	0.6
148.99165	7.2
149.02521	0.7
152.98656	6.1
161.04625	1.2
163.11275	1.1
164.98656	14.7
165.01927	1.2
165.05603	1.2
165.12878	3.3
166.13232	0.6
169.01419	1.2
169.12367	1.2
171.10295	2.3
177.01901	0.8
179.00142	0.7
179.05666	1.1
180.04338	0.7
181.12263	0.6
183.13916	13.5
184.14262	1.4
185.11830	0.9
187.17706	0.7
191.03429	0.5
191.10736	0.7
195.06743	0.9
197.11841	6.3
201.11336	5.3
206.99692	3.4
207.10255	0.8
209.11839	18.9
210.12175	2.5
211.13432	9.4
212.13928	0.7
225.00752	29.7
225.11380	0.9
226.01128	1.2
227.12903	17.4
228.13272	1.8
235.08189	0.8
280.21271	0.6
283.05023	1.6
300.99994	1.4
327.21829	1.0
341.05624	1.0
355.07343	0.8
379.12436	1.7
397.13553	7.2
398.13977	0.6
411.13876	0.7
415.14380	1.5
509.17062	3.0
546.50623	0.7
609.26898	2.3
681.28400	1.1
819.39355	1.1
837.39911	100.0
838.40247	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	837.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.0
59.01380	24.2
61.98840	0.7
62.71418	0.5
66.53380	0.6
69.01192	0.6
69.42374	4.9
69.42795	1.2
71.01389	11.4
71.19614	0.5
72.99290	1.0
73.02936	0.6
77.82496	0.6
80.05058	1.6
83.01399	1.2
85.02971	2.7
87.00886	1.3
89.02457	7.0
94.03004	1.6
95.01421	1.0
101.02453	5.7
104.05037	0.7
106.06658	3.4
108.04565	2.5
113.01795	0.5
113.02442	3.6
115.00382	0.9
119.03512	1.8
120.08147	0.7
122.06162	4.1
123.03220	1.0
124.04079	2.9
125.02467	1.3
129.69815	0.5
132.04538	1.9
132.45766	0.6
134.06140	15.8
135.06438	0.6
136.04065	4.6
137.02446	1.5
137.04802	0.8
138.05646	3.1
144.35233	0.6
147.05632	1.3
147.62451	0.5
150.05624	4.0
152.07164	2.3
160.04068	0.8
161.03531	0.7
163.03978	0.6
165.01955	10.2
165.05595	0.9
166.05060	0.5
168.06657	2.5
169.01405	1.5
175.02466	1.7
175.05135	1.3
176.13852	0.5
179.03494	2.6
180.04289	7.2
190.05070	1.8
195.04944	1.0
195.06656	10.0
195.08371	0.5
195.81897	0.5
201.10352	8.9
210.05342	2.0
211.08752	1.3
213.10310	3.8
214.10982	0.6
215.12071	0.8
217.09683	0.6
223.08838	1.3
225.07701	5.7
225.09854	0.9
226.07645	0.7
227.11937	2.5
229.09802	10.4
229.13347	3.1
235.08711	0.7
237.10188	1.1
239.11877	3.7
241.09740	1.4
243.11371	1.0
245.12877	1.0
247.10828	1.3
250.07451	0.7
255.11353	2.9
257.12888	2.1
263.08289	0.7
265.09732	1.5
267.11234	0.9
271.10974	0.8
273.12393	2.0
277.09732	1.1
279.11383	0.7
289.11984	2.0
291.11319	0.8
293.12802	0.8
295.10867	1.0
301.11929	7.5
305.09283	1.6
307.10614	0.8
309.12299	0.7
314.12833	0.8
317.11768	0.9
319.12997	20.4
320.13327	2.2
329.10861	0.7
331.13724	0.8
332.13977	0.7
337.11960	1.5
341.10751	0.6
344.13348	1.0
346.12024	1.0
356.13574	0.7
358.11819	1.3
359.14880	2.1
360.13458	1.1
369.14386	0.8
370.15604	0.8
371.14969	1.2
372.13586	0.9
373.14828	0.7
374.15103	3.5
375.16248	0.6
386.15491	1.0
391.15332	0.6
392.15836	2.8
398.15079	1.1
400.12668	0.9
402.14624	0.8
404.15833	0.8
406.17630	1.1
407.17978	0.8
416.16080	2.7
418.13760	1.2
428.15924	0.7
432.15686	2.4
433.16180	1.0
434.17273	3.1
446.17371	3.9
447.17966	0.7
460.14935	1.1
472.14590	0.7
478.16068	1.8
490.16483	0.8
517.18115	1.2
567.22131	5.1
568.22375	1.2
579.22760	0.9
607.22632	1.1
615.24512	12.0
616.25067	3.0
625.23071	1.1
719.30194	1.2
743.28937	0.8
761.30743	3.5
762.30695	1.1
764.29480	0.8
777.30841	0.8
787.28833	1.1
805.29633	100.0
806.29962	27.6
837.32202	33.1
838.32550	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	836.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.2
61.98832	100.0
62.98542	0.2
64.00144	0.1
64.69412	0.1
71.01405	0.2
71.45666	0.1
80.96516	0.2
89.02454	0.1
96.96021	0.4
101.02472	0.1
109.65049	0.1
125.02463	0.1
134.64531	0.1
182.84157	0.1
183.13998	0.1
209.11841	0.4
210.12154	0.2
227.12872	0.1
229.14578	0.1
301.03247	0.1
503.34631	0.1
558.22632	0.1
559.22772	0.1
625.72351	0.1
732.73309	0.1
836.39331	0.5
837.40491	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	836.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98536	0.2
62.99249	0.1
70.91729	0.1
70.92040	0.1
78.95918	0.1
80.96498	0.1
98.87282	0.1
158.16560	0.1
164.46745	0.1
168.59093	0.0
245.05194	0.0
269.70944	0.0
371.11737	0.1
616.17126	0.1
849.74414	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	837.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99587	1.6
59.01377	5.7
61.98815	1.2
62.24512	1.0
69.39137	10.2
71.01386	5.6
73.02922	1.0
74.71648	1.1
77.11306	1.0
77.70004	0.9
80.29589	0.8
83.01369	1.3
85.02946	2.6
87.00876	2.4
89.02445	3.5
94.02962	1.1
94.06649	0.9
98.20560	1.6
98.53027	0.9
99.00893	1.1
101.02446	2.7
102.98612	5.4
106.06625	1.6
108.04563	2.5
110.06137	1.8
112.01635	0.9
113.02498	2.3
114.65421	0.9
118.51189	0.8
118.76987	1.1
119.03537	1.1
120.01199	1.0
121.05370	1.9
122.06142	11.5
124.04055	1.0
125.02499	1.5
132.04634	1.2
133.40759	0.9
134.06143	8.7
135.06934	1.4
135.08151	0.9
136.07693	3.4
137.02509	1.6
138.05609	1.4
139.03947	0.9
140.07193	19.0
146.06129	2.5
149.04817	2.9
150.05608	3.1
152.07211	1.4
161.04669	1.3
162.05623	4.5
164.07162	3.8
166.05064	1.1
167.82986	1.0
168.06691	1.7
174.05638	1.8
182.79898	0.9
190.05006	1.6
196.07695	4.1
197.07191	1.6
199.08707	1.0
201.10359	1.9
204.06718	2.0
211.05135	5.2
211.08748	6.3
212.05815	7.0
212.09370	2.3
213.06587	1.0
213.10272	2.0
223.08759	2.3
224.05771	4.6
225.06723	5.2
225.10237	4.4
226.07306	3.0
227.08211	2.3
227.11935	2.3
228.09116	1.3
229.09778	1.8
229.13402	1.9
237.10335	2.3
238.07343	1.8
239.08260	17.9
239.10680	1.3
239.11749	1.2
240.08934	6.3
241.09770	6.5
242.10582	1.3
243.11310	2.1
249.06357	1.5
250.07397	1.4
251.04549	3.2
251.08243	3.0
251.11842	1.9
252.05460	4.9
252.08919	2.7
253.06180	12.2
253.09734	8.5
253.13574	1.8
254.06810	2.7
254.10577	2.7
255.11371	9.1
257.09290	2.7
257.13013	1.6
259.10931	1.8
261.12473	8.8
262.07471	2.3
264.05573	1.7
264.08963	2.9
265.06134	1.8
265.09756	5.4
266.06989	5.1
266.09464	1.1
267.07727	33.9
267.11298	5.2
268.04871	4.1
268.08386	9.8
269.09259	3.5
269.12860	2.0
270.09995	11.7
271.10693	4.6
272.11407	1.1
273.12399	2.4
275.14069	1.1
277.09821	2.7
278.07077	3.1
279.07739	7.1
279.11453	3.6
280.08441	7.1
281.09302	13.3
282.10068	1.3
283.04974	5.7
283.10883	5.9
285.09061	3.5
285.12430	41.5
286.12766	4.2
287.10364	1.3
293.09335	8.9
294.09863	1.4
295.10864	16.0
296.11520	4.1
297.09097	1.7
297.12439	13.9
298.09415	1.7
298.12589	1.4
299.10394	7.6
300.11060	3.2
300.99985	3.0
301.11905	8.1
302.12680	1.1
303.13571	8.4
306.06564	1.2
309.08798	2.1
311.10403	1.6
313.11951	3.0
315.05234	1.2
319.12949	2.3
321.08853	10.7
322.09439	2.9
323.10403	19.5
324.10678	1.7
327.13535	1.4
328.14008	1.3
341.11450	4.6
346.11810	1.1
349.10901	1.5
353.11423	3.2
355.12921	4.3
371.12640	1.3
372.13690	1.3
383.12689	1.1
392.16299	2.0
417.13892	1.1
430.13843	1.3
432.15720	1.3
433.16232	2.4
434.17169	3.0
438.16705	1.4
445.15921	1.1
460.15247	1.8
462.16800	1.3
463.17227	2.8
492.17905	1.2
569.43213	1.0
575.18524	1.7
576.19879	1.7
577.20233	2.4
625.22565	1.4
731.46674	1.2
761.30841	1.7
769.27484	1.1
787.28564	19.5
788.29004	4.2
791.31647	1.3
796.27002	1.2
805.29785	14.4
806.30084	3.4
819.31158	100.0
820.31482	29.1
837.32306	50.7
838.32806	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	835.399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.6
59.01379	9.0
60.01703	0.1
61.98833	0.5
68.99807	0.1
69.03438	0.6
71.01384	8.2
71.05013	0.2
72.00408	0.1
72.99315	0.7
73.02957	1.2
75.00884	0.2
80.02684	1.6
81.03463	1.8
83.01384	1.2
83.05031	5.4
84.02161	0.9
85.02520	0.1
85.02954	2.0
87.00882	2.0
87.04527	0.1
88.05099	0.1
89.02452	7.3
90.02795	0.1
91.86108	0.1
93.03449	0.2
95.01392	0.8
95.05037	0.9
96.96015	0.2
97.02952	1.2
97.06609	0.3
99.00888	0.6
99.04549	0.1
101.02457	6.7
102.02785	0.2
109.02987	0.2
109.06590	0.6
111.00909	0.2
111.04525	0.3
113.02465	3.9
115.04015	0.2
116.92919	0.1
119.03522	1.7
121.02966	0.1
123.00932	0.2
124.01559	0.2
125.02456	2.9
125.06081	0.8
125.09728	0.3
131.03519	0.4
133.05098	0.2
135.08211	0.7
136.01660	0.3
137.06033	0.1
137.09633	0.1
139.04015	0.3
141.02003	0.2
143.03502	1.5
144.03867	0.1
144.46996	0.1
147.11874	0.2
149.02481	0.1
149.04504	0.2
151.04001	0.4
161.04585	1.6
163.11308	4.2
164.11621	0.2
165.11563	0.2
165.12868	2.6
166.13220	0.2
167.03484	0.2
169.01451	0.4
171.10281	0.6
173.09717	0.1
179.03419	0.1
179.03972	0.2
179.05612	2.0
181.12387	0.7
183.14001	0.2
185.04597	0.1
185.11884	0.2
191.10767	1.1
199.06137	0.3
199.13387	0.9
203.05748	0.1
207.10315	0.1
209.11842	100.0
210.12183	6.9
211.13420	0.2
211.49100	0.1
217.07172	0.3
221.06755	0.6
221.11832	0.1
223.13441	0.3
225.11328	0.3
227.12895	15.9
228.13251	1.2
235.08241	2.6
236.08411	0.1
247.13432	0.6
251.12877	0.4
253.09224	0.5
259.08060	0.1
263.07755	0.3
265.14484	0.3
269.06442	0.1
287.07736	1.0
305.08740	1.0
310.44601	0.1
323.10092	0.5
341.10684	0.1
379.12436	2.8
380.12885	0.1
397.13522	19.1
398.13834	2.0
404.61475	0.1
415.14554	5.4
416.14935	0.4
419.24588	0.1
431.19260	0.1
452.51099	0.1
481.27603	0.1
486.18646	0.1
496.47833	0.1
589.24860	0.5
607.26056	1.6
608.25848	0.2
625.26312	0.2
799.37964	0.6
800.38580	0.2
817.38751	0.4
835.39563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.3
59.01377	22.0
61.13321	0.4
61.98826	3.8
66.99866	0.4
69.03465	1.1
71.01385	20.0
72.99315	1.9
73.02951	3.3
78.95893	0.7
79.95729	0.4
80.02691	1.7
80.96537	0.6
81.03471	3.5
83.01398	2.7
83.05034	8.7
84.02177	1.6
85.02956	4.9
87.00883	3.6
89.02454	15.4
95.01394	1.4
95.05043	1.5
96.86485	0.4
96.96018	6.1
96.96975	0.8
97.02979	2.2
97.06599	1.1
98.19900	0.9
99.00884	1.2
99.04552	0.6
101.02452	14.0
102.02837	0.6
109.02976	0.6
109.06624	0.9
111.00903	0.5
111.08189	1.2
113.02466	7.0
116.92910	0.8
119.03524	3.3
121.02966	0.5
125.02477	4.1
125.06090	0.9
127.11311	0.5
129.01991	0.4
131.03542	0.7
135.08188	1.1
141.01939	0.6
143.03506	1.7
149.04500	0.5
161.04590	2.2
163.11296	6.9
164.11594	0.5
165.12859	10.9
166.13208	0.7
167.03458	0.5
171.10303	0.9
177.70830	0.6
179.05643	2.0
181.05074	0.6
181.12379	1.1
183.13910	47.7
184.14226	2.6
185.11842	0.5
190.21082	0.4
191.10750	1.4
197.11986	0.4
199.13377	1.6
207.10262	1.6
209.11838	100.0
210.12173	7.6
211.13416	1.6
221.06696	2.1
225.11325	1.5
226.11597	0.4
227.12886	15.4
228.13205	1.2
235.08231	2.1
253.09262	1.2
255.82079	0.4
379.12268	1.0
397.13522	11.0
398.13763	0.9
415.14645	2.6
469.19550	0.4
607.26001	1.2
612.02930	0.5
625.27014	1.4
799.38293	0.7
817.38599	2.2
818.39319	1.0
835.39874	85.3
836.40417	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	835.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.4
59.01381	9.0
60.99327	0.1
61.98835	0.4
67.01895	0.1
68.99820	0.1
69.03467	0.6
71.01385	8.2
71.05017	0.2
72.01721	0.1
72.99312	0.6
73.02958	1.2
75.00880	0.2
79.31313	0.1
80.02684	1.3
81.03467	1.7
83.01392	1.2
83.05034	5.7
84.02174	1.1
84.05336	0.2
85.02957	2.0
86.00096	0.1
87.00880	1.8
87.92747	0.1
88.98832	0.1
89.02455	7.3
91.04028	0.1
93.03439	0.3
95.01408	0.6
95.05037	0.9
97.02959	1.3
97.06603	0.2
99.00902	0.4
99.04531	0.1
101.02457	6.5
102.02795	0.1
103.03987	0.1
107.05070	0.2
108.02132	0.1
109.02956	0.3
109.06623	0.3
111.00922	0.2
111.04529	0.3
111.08192	0.2
113.02466	3.6
114.02837	0.1
115.04022	0.2
119.03519	1.6
121.02981	0.2
121.06607	0.1
123.00835	0.1
123.08174	0.2
124.01712	0.1
125.02460	2.8
125.06106	0.5
125.09731	0.3
126.02822	0.1
127.04018	0.2
127.07719	0.1
131.03531	0.4
133.05089	0.2
135.08173	0.7
137.02464	0.1
137.06013	0.1
137.83969	0.1
139.04028	0.2
141.01958	0.2
143.03522	1.1
145.05051	0.1
146.03555	0.1
147.11832	0.3
149.02515	0.1
149.04553	0.2
149.09714	0.1
151.04037	0.2
157.05205	0.1
159.02962	0.1
161.04578	1.6
163.11304	4.4
164.11630	0.2
165.05588	0.1
165.12869	2.8
166.13156	0.1
167.03500	0.1
169.01358	0.1
169.12376	0.1
171.10269	0.9
179.05626	2.1
180.05914	0.1
181.05046	0.1
181.12383	0.6
183.13982	0.1
185.04532	0.1
185.11794	0.1
191.10808	1.3
199.06050	0.2
199.13371	0.3
203.05499	0.1
207.10271	0.1
209.11838	100.0
210.12167	5.3
211.13222	0.1
217.07089	0.3
221.06657	0.6
221.11801	0.2
223.13396	0.1
225.11247	0.1
227.12888	14.6
228.13176	0.9
228.23572	0.1
229.45836	0.1
233.11754	0.1
235.08218	2.4
236.08572	0.1
245.06691	0.1
247.13336	0.7
251.12897	0.6
253.09236	0.6
259.08218	0.1
263.07733	0.3
263.94037	0.1
265.14594	0.3
269.13791	0.1
287.07703	0.9
301.09225	0.1
305.08789	0.8
323.09924	0.6
361.11255	0.1
379.12457	2.6
380.12708	0.2
397.13510	19.5
398.13852	1.2
401.23383	0.2
413.17975	0.1
415.14569	5.4
416.14890	0.3
419.24591	0.2
427.19562	0.1
437.25482	0.1
509.22369	0.1
589.24963	0.5
590.25598	0.1
607.26093	1.2
608.25964	0.3
625.26953	0.1
645.26935	0.1
666.20197	0.1
755.33905	0.1
773.35840	0.1
781.36548	0.1
791.36292	0.1
799.37860	0.6
800.38068	0.1
817.38684	0.2
835.39349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
61.98829	100.0
62.98536	0.3
63.99258	0.1
71.01382	0.7
71.65970	0.1
71.66386	0.2
74.79580	0.1
78.91892	1.0
78.95921	0.4
79.04170	0.1
79.95726	0.8
80.91682	0.6
80.96529	1.1
83.05016	0.1
87.87144	0.1
89.02465	0.2
94.98110	0.2
96.96014	0.3
97.02991	0.1
101.02461	0.3
102.66554	0.1
109.06637	0.2
122.97586	0.1
153.26161	0.1
164.98653	0.2
165.47643	0.1
171.10289	0.2
197.11835	0.3
207.10207	0.2
209.11842	0.8
211.13484	0.5
225.00764	0.2
225.11398	0.2
227.12961	0.2
253.09361	0.2
289.18237	0.2
397.13745	0.2
473.39932	0.1
628.46515	0.1
749.30542	0.2
834.38660	0.2
834.53406	0.2
835.38312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	0.2
59.01376	3.0
61.98833	100.0
62.41305	0.2
62.98543	0.6
63.96247	0.5
63.99275	0.5
69.03460	0.6
71.01388	13.5
71.05050	0.2
71.73302	0.4
72.99321	0.5
73.02950	1.3
75.00864	0.4
78.91895	4.1
78.95928	1.1
78.98612	2.1
79.95744	23.4
80.96525	28.7
81.03471	0.6
81.38351	0.2
83.01399	0.4
83.05035	0.5
85.02943	1.9
87.00890	1.7
89.02455	2.4
94.98105	6.4
95.01429	0.4
95.05022	0.4
96.96017	1.3
97.02964	1.5
99.00900	0.8
99.04543	0.3
101.02454	2.7
104.54858	0.2
106.98102	1.2
109.03013	0.3
109.06627	1.3
113.02467	1.2
119.03551	0.5
122.97615	1.7
125.02478	2.1
125.09786	0.3
127.04054	0.5
131.03572	0.2
134.97617	2.2
135.08136	0.3
136.99164	0.7
141.38187	0.2
142.02763	0.3
143.03569	0.6
148.99174	2.1
151.75679	0.3
152.98659	2.5
154.02551	0.2
161.04565	1.1
163.11322	1.1
164.98653	4.5
167.00203	0.2
170.38283	0.2
171.10295	1.5
179.05609	0.3
181.12328	0.4
183.13905	0.7
185.11853	0.3
188.98695	0.4
191.10733	0.2
197.11893	0.3
199.13461	1.5
201.11317	1.2
206.99667	2.5
207.10272	3.2
208.00063	0.2
208.10504	0.3
209.11847	6.2
210.12268	0.7
211.13417	6.9
212.13739	0.7
221.06728	0.4
225.00757	10.3
225.11339	3.2
226.01088	0.3
227.12897	3.1
235.08249	0.5
241.00232	0.9
243.12389	0.3
257.00983	0.3
275.01822	0.3
281.03595	0.3
283.04947	0.9
300.99823	0.6
341.05499	1.8
355.06964	0.6
379.12646	0.3
397.13504	3.5
398.14041	0.3
401.23178	0.5
415.14493	1.0
419.24286	0.5
425.14850	2.0
456.50970	0.3
465.01859	0.3
509.17093	1.9
517.31293	0.3
539.18109	0.4
551.17871	0.4
581.19110	0.9
591.25830	0.3
595.21021	0.2
609.22522	0.7
623.25391	1.0
651.26978	0.4
652.27405	0.4
707.29822	2.4
708.30072	0.7
733.33759	0.3
749.30865	8.4
750.31494	1.4
799.37842	0.8
817.37561	5.1
818.37878	1.2
835.38275	19.1
836.38733	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	834.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98548	0.2
62.99251	0.1
63.26324	0.1
69.53281	0.2
69.53706	0.2
80.96530	0.1
119.75705	0.0
133.46159	0.1
209.11926	0.2
223.89117	0.1
240.25679	0.1
527.24866	0.1
682.87341	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
60.29876	0.1
61.98832	100.0
62.98531	0.3
62.99264	0.1
63.99262	0.3
71.01387	1.7
72.99324	0.1
73.02963	0.2
78.91906	0.2
78.98603	0.2
79.95741	2.3
80.96518	2.7
81.03465	0.1
82.94820	0.1
83.01397	0.1
83.05042	0.1
85.02962	0.2
87.00916	0.2
89.02469	0.2
94.98103	0.5
96.96039	0.3
97.02983	0.2
98.19819	0.2
101.02429	0.4
106.98129	0.1
109.06644	0.2
113.02507	0.1
122.96796	0.1
122.97614	0.3
125.02477	0.3
134.97620	0.1
148.99174	0.2
152.98688	0.2
161.04565	0.1
163.11328	0.2
164.98651	0.6
171.10307	0.3
181.12270	0.1
185.11821	0.1
198.04665	0.1
199.13356	0.2
201.11377	0.1
206.99785	0.2
207.10251	0.6
209.11855	1.3
210.12323	0.2
211.13382	1.0
225.00755	0.9
225.11264	0.5
227.12973	0.3
231.41446	0.1
285.04007	0.2
341.05627	0.2
373.51779	0.1
381.25391	0.1
397.13626	0.5
411.13690	0.1
415.14581	0.1
425.15088	0.2
474.99142	0.1
481.31161	0.1
487.34262	0.1
509.17209	0.1
707.30249	0.2
749.31445	0.4
799.38531	0.1
817.37183	0.7
834.38318	0.4
835.38251	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	832.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98828	100.0
62.98545	0.2
63.99255	0.2
69.50853	0.5
69.51258	0.1
71.01393	0.4
72.99318	0.2
78.32512	0.1
78.95916	0.4
79.95742	0.2
80.96530	0.2
88.98814	0.2
89.02421	0.1
96.96030	0.1
98.20593	0.1
101.02490	0.1
109.06625	0.1
116.92878	0.2
122.43724	0.1
128.68272	0.1
134.89496	0.1
135.94383	0.1
152.99632	0.1
171.10315	0.1
197.11926	0.1
204.09447	0.1
207.10278	0.2
209.11859	0.6
210.12254	0.1
211.13483	0.2
212.13510	0.1
223.09923	0.1
225.00795	0.1
225.11375	0.1
227.12914	0.1
255.23317	0.1
262.80984	0.1
289.17899	0.1
291.19693	0.1
293.21408	0.1
309.20789	0.1
310.21237	0.1
505.23862	0.1
832.51135	0.2
833.39661	0.2
833.53754	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.9
59.01381	26.6
59.10070	0.3
61.98835	3.1
65.03972	1.0
69.03463	1.9
69.47952	0.7
69.48354	3.4
71.01387	23.7
71.05028	0.8
72.99309	2.1
73.02953	4.8
75.00871	0.5
80.02689	2.7
81.03474	5.3
83.01405	2.7
83.05030	9.7
84.02147	2.0
85.02485	0.7
85.02966	5.7
87.00882	4.9
88.98837	1.1
89.01900	0.9
89.02454	16.4
93.03471	2.6
95.01413	2.7
95.05039	2.2
96.96053	0.6
97.02961	11.0
97.03551	0.8
97.06599	0.8
99.00887	3.1
99.04496	0.6
101.02457	16.7
102.02758	0.4
106.04262	0.5
107.05045	1.2
108.02236	0.5
109.02979	0.9
109.06608	24.4
109.36678	0.4
110.03759	1.3
110.06972	0.7
111.00946	0.6
111.04539	1.3
113.02467	8.8
115.00394	1.2
116.92882	1.7
119.03511	4.7
121.03006	1.0
121.06631	2.4
123.00944	0.7
123.04549	0.9
123.08192	1.2
125.02473	7.5
125.06101	1.3
125.09733	3.2
131.03526	0.8
133.06717	0.4
135.08189	3.6
136.05304	1.9
137.09779	0.7
139.04031	0.8
141.01982	0.9
142.02788	2.0
143.03491	1.7
145.10245	0.6
149.04556	0.7
151.00417	0.5
159.02992	0.8
161.04596	3.1
161.09753	2.5
163.11307	20.4
164.11626	0.8
165.01877	0.4
165.05574	0.5
165.12849	3.5
169.01483	1.7
171.10284	2.2
173.09688	0.4
175.02591	0.7
175.03970	0.4
179.05655	4.2
179.10780	1.5
181.12398	4.1
185.11882	1.5
187.09789	1.6
189.09227	1.7
191.10756	1.7
195.26250	0.4
197.11832	0.5
199.13356	0.8
201.11273	1.1
201.12933	0.4
207.10277	65.8
208.10599	4.1
209.11839	100.0
210.12167	7.0
211.13354	0.9
213.09349	0.5
217.12286	0.7
221.06679	2.1
221.11823	0.7
223.09796	0.5
223.13353	0.7
225.11330	37.5
226.11708	2.5
227.12877	14.0
228.13194	0.8
231.10281	0.6
235.08208	3.7
235.13416	0.6
243.12387	1.2
245.11955	0.6
247.13405	1.0
249.11279	1.7
251.12781	0.6
253.09258	1.1
263.07690	0.8
263.12854	1.4
265.14508	0.5
287.07706	1.1
299.14990	0.9
305.08820	1.2
313.05704	0.8
327.21719	0.8
357.94745	0.5
373.19629	0.5
373.23981	0.7
374.32138	0.4
379.12622	2.3
381.20770	0.5
389.23090	0.5
397.13538	26.9
398.13959	2.3
399.21948	3.3
400.22104	0.7
415.14618	8.3
416.14819	0.8
417.22824	5.4
418.23181	0.9
435.23633	0.8
445.20770	0.4
520.19696	0.4
587.23059	0.6
589.24927	0.5
605.24457	3.8
606.25140	0.6
607.26074	0.8
623.25696	5.3
624.26019	1.3
635.30945	0.5
653.32349	0.4
771.34869	0.7
787.39014	0.9
797.36267	13.0
798.36444	2.7
815.37219	18.2
816.37750	4.7
833.38428	31.1
834.38647	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	831.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.9
62.33077	0.3
62.96432	0.4
63.75941	0.4
66.72277	0.3
70.28538	1.3
70.28944	0.7
71.01387	0.9
77.53013	0.3
78.35274	0.4
78.95912	77.7
79.95753	1.0
80.96527	3.0
94.98108	0.7
96.96977	17.1
122.97588	0.4
134.98561	0.8
141.01772	1.0
152.99609	21.9
153.99886	0.5
171.00691	0.5
223.00133	7.4
225.00659	0.5
230.98140	0.3
231.97778	0.5
232.97482	1.1
237.22099	0.5
241.01190	32.2
242.01535	1.0
255.23288	62.0
256.23672	4.4
259.02222	3.1
259.20731	0.7
277.21722	36.8
278.22034	3.4
279.23419	0.4
297.03860	2.3
315.04889	1.0
328.31277	0.4
391.22534	6.9
392.23071	0.4
413.20895	1.2
553.27759	6.7
554.28497	0.7
571.29071	0.6
575.26007	0.8
646.78241	0.4
831.50476	100.0
832.50818	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	831.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	2.0
59.01377	14.4
61.98835	100.0
63.96471	1.3
63.99288	1.5
69.03471	3.6
71.01388	25.0
72.99305	3.2
73.02943	4.9
75.00864	5.2
77.58735	1.3
78.99901	1.3
80.96521	3.8
81.03455	4.1
83.01397	3.9
83.05013	5.5
85.02950	3.4
87.00880	3.9
88.98820	2.3
89.02460	9.4
93.03465	1.7
95.05045	2.1
97.02962	9.7
97.06564	2.5
98.19799	2.7
99.00848	1.4
101.02451	9.8
103.64581	1.3
107.01406	1.3
109.02983	2.5
109.06605	11.1
110.03749	1.6
111.04535	2.0
111.08138	2.1
113.02464	6.6
116.11408	1.3
117.03476	4.0
121.06622	1.6
123.08155	2.0
125.02493	2.1
125.09727	5.6
127.11304	3.1
137.09750	3.2
139.07672	1.9
143.03575	2.2
145.02960	8.3
155.10822	2.5
161.04601	3.0
161.09708	1.5
163.11334	10.4
165.09207	1.9
165.12808	5.5
169.12225	1.8
171.10295	69.5
172.10591	3.3
179.10739	1.7
181.12350	4.9
183.13907	1.5
185.11827	5.0
189.09326	1.5
191.14404	1.6
197.11858	8.8
201.11333	31.3
207.10272	34.3
209.09830	3.0
209.11839	62.0
210.12134	4.9
211.13394	7.2
215.12961	1.8
223.09851	2.3
223.13429	2.1
225.09134	2.6
225.11325	49.8
226.11642	1.5
227.03520	4.2
227.12881	10.0
229.78493	1.6
235.08191	9.8
243.12439	3.5
245.18935	1.7
247.20706	2.5
253.09291	22.5
255.02972	6.1
271.02380	3.0
284.03171	3.9
285.03986	17.9
289.18137	8.5
291.19656	32.7
292.20023	2.3
295.10220	1.9
300.02704	2.9
301.03391	4.0
307.19101	7.7
309.20715	59.4
310.21039	5.8
378.06659	1.5
407.19260	2.2
443.19568	3.2
461.20230	12.3
479.21237	2.0
526.75421	1.5
527.28534	1.6
545.29431	1.6
747.97632	2.0
753.41095	6.5
771.42175	2.1
813.36115	2.4
831.37244	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	831.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.7
61.98831	100.0
69.03455	1.9
71.01383	12.9
71.05034	1.9
71.73593	1.2
72.99329	1.9
73.02943	1.9
75.00875	1.3
78.95923	5.7
80.02657	1.5
80.17606	1.0
80.57909	0.9
80.96541	1.1
81.03461	1.4
83.01388	3.4
83.05025	4.4
84.02189	1.2
85.02961	9.1
87.00861	2.4
88.98819	1.6
89.01958	0.9
89.02424	5.1
93.03437	1.4
95.01365	1.5
95.05025	1.2
96.96011	1.6
96.96964	1.4
97.02966	4.9
97.06590	1.8
99.00891	3.2
101.02442	6.4
107.04995	1.4
109.06607	20.2
111.04509	1.3
112.98854	1.7
113.02441	3.9
116.92857	1.1
119.03564	1.1
125.02457	3.7
125.09770	2.4
135.08217	2.8
136.05382	1.4
137.09650	1.8
142.02654	1.2
143.03502	1.5
152.99568	1.7
158.69855	1.0
161.04561	3.1
161.09776	1.9
163.11327	10.7
165.12793	1.9
167.10875	1.4
171.10294	22.6
179.05528	1.5
181.12360	3.4
183.13889	2.3
193.12430	1.3
197.11807	8.1
199.13446	1.1
201.11243	1.3
207.10274	42.9
208.10576	2.8
209.11845	73.4
210.12141	4.1
211.13400	17.4
221.11827	1.2
223.13379	4.7
225.11331	19.9
227.12865	11.6
229.14410	4.3
235.08223	7.5
235.13393	1.2
239.36034	1.3
241.00995	1.9
253.09267	23.2
255.23314	3.2
275.01981	1.1
277.21729	2.3
291.19559	1.6
300.99832	1.4
306.29169	1.1
307.19049	1.2
309.20706	6.7
325.20215	21.2
326.20554	2.1
327.21768	52.6
328.22028	4.4
352.11066	1.2
397.13596	3.8
443.19275	2.8
445.20499	2.6
461.20163	4.1
517.31659	2.2
545.29669	2.9
561.29102	1.2
563.30670	5.2
564.31128	1.4
603.26898	1.3
753.41003	2.4
754.39691	1.5
771.41833	22.9
772.42285	6.5
813.37646	1.7
831.37280	2.9
831.51514	5.9
832.51385	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	831.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.0
58.79164	0.2
59.01380	18.3
60.01704	0.4
61.98830	16.6
64.09917	0.3
65.03959	0.3
65.71016	0.2
69.03448	3.0
71.01382	18.5
71.05016	0.9
71.72345	0.3
72.01709	0.3
72.99316	1.7
73.02942	2.7
75.00871	0.8
78.95898	0.9
80.02676	1.2
81.03458	2.4
83.01390	2.1
83.05031	5.9
84.02164	0.9
85.02952	4.8
85.06599	0.3
87.00874	4.2
87.04522	0.3
88.98830	0.4
89.02453	15.2
93.03474	0.4
95.01410	1.2
95.05019	1.3
96.96051	0.5
96.96945	0.5
97.02958	2.7
97.06596	0.4
99.00874	1.4
101.02454	14.3
109.02973	0.5
109.06594	0.9
111.00904	0.5
111.04515	0.6
111.08157	0.3
111.23674	0.2
112.98837	0.3
113.02464	7.2
115.00377	0.4
115.04026	0.4
116.92844	0.4
119.03509	4.2
123.04468	0.3
123.08070	0.2
125.02466	5.9
125.06099	0.7
125.09696	0.6
129.01947	0.4
131.03506	0.9
133.05113	0.4
135.08186	0.7
135.11836	0.4
135.38179	0.3
139.04030	0.6
143.03510	2.3
145.05072	0.3
149.02408	0.3
149.04517	0.5
149.09750	0.4
154.56567	0.3
160.89192	0.3
161.04576	3.5
161.13432	0.3
163.11279	4.1
165.12825	2.5
167.03494	0.6
167.10791	2.5
169.04962	0.3
171.10251	1.4
175.02451	0.8
177.12756	0.5
179.05629	4.4
179.10770	1.0
179.14429	2.7
181.12361	0.9
183.13879	0.3
184.37425	0.3
185.04688	0.3
191.10776	0.8
195.12228	0.5
195.13922	8.2
195.15683	0.5
196.14302	0.5
197.11826	0.6
199.06218	0.4
203.05792	0.3
205.12343	7.6
206.12764	0.6
207.10286	0.9
209.11835	100.0
210.12164	5.9
211.13283	1.3
217.07210	0.6
221.06651	1.5
223.13391	76.5
224.13721	4.7
225.11382	1.1
227.12888	16.1
228.13214	1.1
235.08202	4.3
241.01294	0.3
243.12347	0.3
245.06616	0.3
251.12831	0.3
253.09274	1.6
255.23300	0.5
259.08344	0.3
261.14883	0.9
263.07574	0.3
265.14304	0.5
277.21658	0.4
287.07617	1.3
300.99829	0.3
305.08582	1.7
323.09659	1.3
327.21786	0.8
379.12442	5.6
380.13010	0.6
397.13507	38.5
398.13910	3.2
415.14578	10.3
415.18646	0.2
415.25027	0.4
416.14856	0.7
433.26187	0.4
461.20227	0.4
495.96426	0.3
578.89325	0.3
589.25092	0.9
603.26331	4.3
604.27588	0.4
607.26050	1.5
608.25891	0.3
621.27728	7.7
622.28162	1.2
628.15417	0.3
771.42383	0.9
795.37982	1.1
813.39209	1.3
814.39136	0.6
831.37567	1.0
831.52240	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	831.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	1.5
59.01090	1.5
59.01378	29.8
61.98830	73.7
69.03442	3.6
71.01383	25.9
71.05010	0.9
72.28275	0.8
72.99300	3.3
73.02945	3.9
75.00849	1.4
78.95896	7.1
80.67317	0.7
80.96521	1.9
81.03462	0.9
83.01372	2.9
83.05012	2.1
85.02966	6.6
87.00878	5.2
88.98811	1.8
89.02447	17.4
95.01390	1.8
96.96964	1.5
97.02959	2.2
97.06589	1.6
98.20663	1.5
99.00867	1.8
101.02452	16.4
102.02725	0.9
107.05061	0.8
109.06577	2.2
111.08096	2.2
113.02455	6.5
116.92859	0.9
117.03484	0.9
119.03471	3.6
121.02943	2.3
125.02477	5.4
125.09721	1.0
134.58006	0.8
141.01884	1.1
143.03520	2.0
145.02956	1.2
149.09695	1.4
152.99580	2.0
155.27347	0.9
161.04555	3.6
163.11244	1.1
165.12862	6.9
167.10741	3.2
171.10265	4.8
177.12845	1.3
179.05583	2.7
179.10793	1.3
179.14377	3.6
183.13905	52.4
184.14250	4.1
195.13910	10.3
197.11763	1.6
199.13419	0.9
201.11188	1.0
205.08786	0.8
205.12328	7.9
206.47063	0.9
207.10170	3.0
209.11836	8.7
210.12224	1.1
211.13440	4.6
221.06659	2.2
221.11786	1.8
223.13387	41.7
224.13683	3.3
225.11334	4.3
227.03523	2.2
227.12881	6.2
229.36530	0.9
235.08124	3.1
239.12946	1.7
241.01123	3.3
253.09131	3.1
255.02884	4.5
255.23300	4.4
276.72293	1.0
277.21609	3.3
283.02402	1.2
284.03293	4.8
285.03970	3.8
291.19598	2.2
301.00122	1.4
309.20593	2.8
325.20215	1.0
348.12308	1.0
397.13412	7.8
415.14365	1.5
621.27673	2.7
625.27002	1.8
645.83441	0.9
792.61188	1.0
813.38489	1.8
831.39996	100.0
832.40155	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99179	0.4
59.01385	1.1
60.08601	0.3
61.98831	1.1
63.97742	0.5
69.03454	1.0
70.71363	1.3
71.01381	4.2
71.05016	0.5
72.99298	0.6
73.02947	0.6
79.01904	0.5
83.01408	0.4
85.02975	0.7
87.00895	0.3
95.01410	0.9
97.02973	1.1
99.00916	0.4
101.02460	1.3
107.01401	7.2
111.00906	1.0
113.02459	1.3
123.00085	0.5
123.00908	6.3
124.01707	1.3
125.02463	55.4
125.34012	0.3
126.02798	1.7
136.87993	0.4
136.98813	0.9
137.02409	0.5
139.00389	1.9
140.01193	1.8
141.01958	1.1
151.00406	5.5
160.22415	0.4
165.01987	0.4
167.03526	0.4
168.00648	2.8
169.01443	100.0
170.01758	3.8
183.02930	0.4
193.01570	0.5
211.02521	2.1
211.44316	0.4
223.02463	0.7
241.03537	8.6
242.03885	0.5
253.03424	0.5
271.04642	0.7
313.05643	43.9
314.06012	3.0
363.11920	0.4
432.88101	0.4
437.30612	0.9
455.31854	0.5
517.31238	1.5
518.31604	0.4
679.36804	0.9
831.38281	61.5
832.38660	17.2
832.54602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
61.98832	1.9
67.01904	0.6
69.03468	1.1
71.01386	4.7
71.04642	0.7
72.99312	0.6
73.02975	0.6
74.93223	0.2
79.01894	0.6
81.92281	0.3
83.01405	0.5
85.02964	0.9
85.21329	0.2
87.00867	0.5
88.98786	0.4
89.02454	0.4
95.01402	1.0
97.02964	0.7
99.00916	0.3
101.02422	1.3
107.01401	7.4
111.00900	1.0
113.02496	1.5
116.92924	0.3
117.03420	0.3
119.05016	0.5
123.00900	7.4
124.01617	0.6
125.02464	57.6
126.02805	2.2
136.98845	0.6
137.02434	0.8
139.00406	2.0
139.04008	0.5
140.01195	1.9
141.01988	1.0
150.06842	0.4
151.00406	5.1
151.04007	0.4
153.01935	0.5
163.04097	0.5
165.01927	0.5
167.03560	0.5
168.00650	2.9
169.01442	100.0
170.01784	3.2
177.29494	0.3
179.03546	0.5
183.02899	0.3
183.13911	2.3
193.01460	0.7
207.10275	0.4
209.11781	0.8
211.02472	3.2
211.13408	0.3
223.02470	0.4
241.03551	7.9
253.03517	0.5
271.04602	1.0
295.04779	0.3
301.16605	1.1
313.05652	42.1
314.05969	3.2
358.43686	0.3
437.30646	0.3
455.31769	0.5
517.31683	1.2
584.72272	0.3
831.38251	56.1
832.38464	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	831.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	2.0
59.01380	35.0
59.43760	0.4
61.98836	3.5
65.57146	0.4
69.03457	0.8
70.28426	1.4
71.01386	20.5
72.01707	0.5
72.99305	2.0
73.02949	1.6
78.95885	0.5
81.46909	0.4
83.01389	1.8
85.02953	5.1
85.14970	0.4
87.00867	0.6
89.02457	17.4
95.01400	1.7
99.00912	0.7
100.75032	0.4
101.02461	15.3
107.01394	5.9
111.00887	1.9
113.02468	6.9
119.02731	0.6
119.03535	5.6
123.00906	3.2
124.01706	1.2
125.02464	30.6
126.02760	1.0
127.00391	1.0
131.03551	0.6
136.98808	1.4
137.02539	0.6
139.00375	1.8
140.01202	2.6
145.03056	0.5
151.00357	2.3
165.01945	1.3
167.03519	1.4
168.00661	14.1
169.01457	37.7
170.01831	1.0
209.11909	1.2
211.02501	50.2
212.02826	1.8
241.03508	0.9
271.04578	31.1
272.04861	1.4
313.05566	2.4
315.04614	0.5
327.21558	0.6
347.54745	0.5
409.30960	0.7
429.82349	0.5
437.30508	1.6
455.31735	3.7
456.32019	1.0
517.31635	9.0
518.32007	1.7
679.37128	3.9
810.73572	0.5
813.36438	0.5
818.53534	0.6
831.38275	100.0
832.38538	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	825.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98820	2.0
63.96230	2.1
69.03455	1.0
71.01392	11.4
71.73896	1.1
73.02943	1.9
78.95909	1.8
78.98595	8.3
79.95746	21.4
80.96528	100.0
83.01363	1.1
85.02939	3.9
85.93601	0.8
87.00885	3.0
94.98103	22.2
96.96017	1.5
97.02942	2.1
99.00848	1.0
101.02421	3.4
103.05018	0.7
106.98117	5.0
113.02479	1.0
122.97613	8.7
125.02473	4.3
127.03970	1.0
134.97606	6.1
136.99144	1.6
148.99146	8.8
152.98659	7.8
164.98660	16.2
171.10286	1.4
196.89507	1.1
206.99689	4.6
209.11867	2.2
225.00763	26.1
255.23351	1.9
278.69739	0.8
325.79761	0.9
422.89133	0.9
453.14487	1.6
541.19019	1.7
709.38696	18.4
710.39136	3.5
765.41620	3.4
781.40961	1.3
825.46246	69.2
826.46729	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	825.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.5
59.72964	0.5
61.98833	10.2
69.03436	0.5
71.01377	2.7
71.76530	1.0
72.99326	0.6
73.02961	0.8
76.08315	0.4
83.01398	1.6
85.02977	1.8
87.00908	0.5
88.98842	0.9
89.02460	2.1
93.03474	3.8
95.01409	2.1
95.83618	0.4
96.96041	0.9
97.02977	1.1
99.00874	0.9
101.02467	2.2
107.01425	1.0
107.05047	0.7
108.02184	1.6
109.02990	1.4
111.00903	1.7
113.02460	1.0
116.92882	9.1
117.92947	0.6
119.05085	1.0
121.02976	4.2
122.03767	14.3
122.04603	0.9
123.00887	4.1
123.04523	1.6
124.01704	1.9
125.02462	7.5
126.02827	0.7
127.00388	0.6
133.02982	2.1
134.03766	0.6
135.04559	2.3
136.01703	3.8
136.98781	0.5
137.02501	2.4
138.03249	2.2
139.00395	4.6
139.04066	1.3
139.95866	0.5
140.01147	0.9
145.03004	1.2
146.03703	0.8
147.04604	2.5
149.02463	21.6
150.03249	89.9
151.00394	8.4
151.03860	4.6
152.01118	1.1
153.01956	2.1
153.05623	1.4
153.99078	0.4
154.02725	0.5
159.04509	1.1
161.02467	0.7
162.03226	1.6
163.04027	2.1
164.04828	4.8
165.01930	1.8
165.05591	79.8
166.02742	16.8
166.05881	3.7
167.03500	1.2
168.00696	0.8
168.04309	0.6
169.01434	5.9
169.12439	0.4
171.10216	0.5
173.02505	0.8
174.03192	1.0
175.02718	0.5
175.04016	2.7
176.01236	0.8
177.02007	2.2
177.05603	2.0
178.02776	0.7
179.03488	1.2
179.07133	0.7
180.04285	7.6
181.05081	21.7
182.05498	0.7
187.04073	1.0
189.01929	0.6
189.05507	0.7
190.02721	0.6
191.03503	5.2
192.04227	1.9
193.05109	1.9
195.06642	29.8
196.06999	1.1
201.11429	0.6
203.03491	7.1
204.04248	1.1
205.05092	1.5
206.05804	0.8
207.06638	1.6
209.04526	0.8
209.11897	1.2
210.05281	0.5
218.05867	5.5
219.06610	1.5
221.04576	2.0
221.08209	1.1
225.07748	1.0
227.12939	1.1
233.08247	4.8
235.06232	0.9
236.06871	7.7
237.07582	0.7
249.07639	0.9
251.09254	17.1
252.09575	1.4
283.10788	1.0
300.86624	0.5
300.99969	1.1
315.08774	0.5
323.05066	0.5
323.11481	0.5
327.08759	0.9
342.07458	0.6
343.08127	1.0
343.11948	1.2
357.09625	0.7
358.10535	3.3
359.11200	0.7
370.10767	0.9
372.12134	0.9
373.12949	9.3
374.13242	0.8
385.13101	1.5
388.12018	0.6
399.14700	1.0
401.12582	0.7
403.14398	3.5
417.12042	1.8
418.12595	1.9
419.12994	0.6
431.13504	2.5
432.14429	3.3
433.15070	8.7
434.15219	0.8
447.16724	0.9
511.91617	0.5
551.16040	0.6
566.18500	0.5
581.20532	4.4
582.20874	0.6
611.22119	0.9
613.18970	0.6
629.22522	100.0
630.22815	19.1
663.38007	0.7
673.21179	0.8
673.34814	1.2
825.34406	3.5
826.35547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	7.1
60.99298	2.4
61.98832	48.1
71.01375	7.8
78.95898	2.2
80.96518	4.9
82.96106	2.6
83.05029	2.0
88.98828	11.7
89.02438	3.2
93.80703	2.5
96.96017	4.4
97.02953	2.3
97.06583	2.7
98.20659	3.5
99.92621	2.6
101.02425	4.6
104.86957	2.0
107.01392	2.3
113.02438	2.6
116.92863	17.9
120.56293	2.2
132.38489	2.4
145.03004	2.7
151.00343	3.5
161.04558	3.4
162.08788	2.2
165.01973	3.1
165.12848	2.9
171.10233	9.2
193.12364	3.8
206.17482	2.3
207.10193	4.7
209.11838	100.0
210.12190	7.1
225.00760	2.2
225.11288	4.3
225.14899	4.3
227.12883	24.6
229.62274	2.8
235.08324	10.7
253.09360	22.2
323.22546	3.1
338.60605	2.4
341.23325	85.6
342.23633	5.8
431.07565	6.9
445.21085	11.2
449.08191	2.7
461.20187	2.5
507.89337	2.7
517.31726	14.2
533.34668	4.5
577.32440	11.7
608.18311	2.3
677.14801	6.2
763.57440	2.5
823.42511	68.7
824.43127	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	825.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.4
60.01725	0.5
61.98830	11.5
65.00331	0.7
67.01904	1.8
69.03455	3.3
69.10863	0.5
69.41839	5.8
71.01385	3.8
72.99325	1.6
73.02958	1.4
77.27666	0.4
79.01899	1.6
81.03471	0.8
83.01389	1.6
85.02959	2.4
87.00905	1.1
89.02457	1.6
93.03477	0.8
95.01408	4.5
96.95999	0.6
97.02975	3.2
99.00910	0.9
101.02454	2.2
107.01404	17.1
107.05081	0.8
108.02219	0.7
109.02984	1.5
111.00890	3.6
113.02470	1.5
116.92897	0.8
118.05186	0.4
120.01234	0.5
121.02960	1.6
122.03777	1.1
123.00903	21.2
123.04504	0.7
124.01718	3.6
125.02460	98.9
126.02831	4.4
127.00367	1.3
133.01477	0.6
135.04544	0.6
136.01663	1.0
136.98836	2.2
137.02455	2.0
138.03233	0.6
139.00392	6.8
139.04024	1.8
140.01163	5.9
141.02019	2.3
147.04433	0.8
149.02448	2.2
150.03258	7.5
151.00386	7.7
151.03976	1.9
153.01935	1.5
153.05647	0.6
161.02403	0.8
162.03200	0.6
163.04068	0.8
164.04729	0.7
165.01921	2.2
165.05576	6.4
166.02687	2.2
166.99911	2.3
167.03508	1.0
168.00658	7.7
169.01442	100.0
170.01770	4.6
175.03981	0.8
177.02016	1.1
177.05539	1.2
178.02768	1.0
179.07069	1.0
180.04250	1.4
181.01425	1.0
181.05072	3.1
182.02101	0.6
183.03001	4.5
189.02086	0.6
190.02612	0.6
191.03548	0.6
192.04398	0.6
193.04953	1.1
195.06630	3.4
207.06639	0.7
209.11772	1.4
211.02464	2.6
214.14778	0.5
225.07751	1.4
227.13011	0.6
236.06985	0.6
251.09143	1.6
254.06094	0.7
269.08157	0.6
271.04587	0.5
282.08743	1.1
283.10751	2.5
300.99857	2.2
309.08307	0.6
312.10132	0.7
313.05588	8.7
314.05743	0.7
314.11407	0.9
315.12244	2.1
325.10861	0.8
326.11603	1.5
327.12241	2.0
328.09470	1.3
329.13824	1.1
332.09058	0.6
332.25043	0.5
341.13980	1.4
343.11633	2.4
355.11850	1.1
363.78827	0.6
373.12927	2.0
375.11096	0.7
385.12708	0.8
403.13974	4.4
405.55527	0.6
433.14981	0.7
466.12610	1.0
477.17413	0.8
478.12558	1.3
481.15009	7.4
482.15204	1.3
489.17526	1.2
491.19003	0.7
493.15103	3.1
494.14526	0.6
511.16013	1.0
629.22607	3.2
630.22986	0.6
643.20526	2.7
644.20660	1.0
655.20520	7.5
656.20111	1.5
663.37408	0.8
673.21582	27.0
674.21906	4.6
793.29437	1.9
825.22412	65.8
826.22583	15.7
826.37988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.5
61.98830	26.1
69.25156	1.7
71.01390	33.2
71.74642	2.1
73.02949	1.9
79.95736	1.8
80.91712	2.7
80.96504	4.4
82.27003	1.6
82.95432	10.9
83.05050	2.7
86.89958	1.6
89.02477	3.6
93.75047	1.8
96.96005	3.9
97.02997	2.0
97.06567	1.6
101.02466	4.6
102.38961	1.5
109.06612	5.6
113.06091	4.8
119.05042	2.6
125.09743	2.6
145.02939	10.2
155.10823	2.0
163.11298	6.4
171.10338	11.4
181.12312	1.8
185.11894	2.8
191.10617	2.0
197.11780	2.7
199.09776	15.8
201.11247	5.3
207.10278	20.0
209.11841	100.0
210.12108	6.2
211.13353	2.3
225.11320	20.0
227.12927	21.4
235.08122	4.8
240.65004	2.0
253.09344	13.1
255.02965	3.5
277.21732	2.3
279.16049	3.4
283.02426	2.3
284.03085	3.8
285.04034	19.4
289.18048	3.8
294.30911	1.7
307.19153	3.8
435.18741	4.9
461.20261	4.7
627.30194	4.8
635.30505	3.9
653.30298	6.0
671.32446	5.0
672.33136	2.3
766.72913	2.0
823.39288	17.6
824.39020	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	823.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99747	0.2
59.01388	0.5
61.98837	0.3
63.02404	1.6
65.00330	1.3
67.32364	0.2
72.56376	0.2
76.00087	0.2
79.01911	0.2
83.01393	1.0
83.66095	0.2
91.01922	0.4
93.03461	2.5
95.01418	0.4
107.01394	3.7
109.02993	0.7
117.03478	12.7
118.03826	0.5
119.01385	0.2
119.05042	4.0
121.02995	0.4
123.00938	0.4
130.04283	0.2
131.05046	0.4
132.02194	0.4
133.02943	0.5
135.00890	1.0
137.02322	0.4
141.07143	0.2
143.05023	1.6
145.02974	41.0
146.03305	1.9
150.87151	0.2
151.00380	5.0
153.01988	0.3
154.04309	0.6
155.05069	0.5
156.05750	0.4
157.06534	0.9
159.04543	1.8
161.02420	0.3
163.00392	2.2
163.04028	2.8
164.01172	0.7
165.01939	0.5
167.05051	0.7
168.05885	0.2
169.01506	1.0
169.06598	1.0
171.04500	1.0
173.02423	0.4
173.06189	0.3
182.03737	0.4
183.04517	2.0
184.05273	0.4
185.02550	0.3
185.06114	2.8
186.06482	0.2
187.04016	3.4
189.05560	1.0
195.04536	0.7
196.05266	0.4
197.06064	0.7
198.03247	0.3
199.03969	1.1
200.04579	0.2
201.05544	0.7
211.03979	2.5
212.04622	0.4
213.05569	2.2
214.02699	0.5
215.03448	0.5
223.03995	0.3
224.04623	0.3
227.03496	11.0
228.03833	1.1
229.05057	9.3
230.05379	0.9
231.90981	0.2
239.03467	2.1
240.04292	0.9
241.05009	1.4
243.02937	0.6
253.05017	0.2
255.02971	23.7
256.03561	3.7
257.04526	6.4
258.04889	0.6
267.02884	0.9
268.03781	0.4
271.06088	0.3
283.02490	4.5
284.03253	17.5
285.04031	100.0
286.04379	8.2
286.07666	0.4
289.07095	0.3
309.07642	0.3
331.08237	0.5
391.10062	0.4
473.69989	0.2
495.12994	0.8
513.38123	0.2
524.56982	0.2
537.13947	1.0
538.14551	0.3
557.10931	0.4
617.12946	0.8
634.36493	0.2
659.13873	2.4
660.14362	0.5
677.15289	10.0
678.15784	2.5
823.18933	9.2
824.19312	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	823.1901
Annotation	Kaempferol 3-(3'',4''-diacetyl-2'',6''-di-(E)-p-coumarylglucoside)
Peak:m/z	Relative Intensity
57.76350	0.1
59.01385	0.8
59.51466	0.1
63.02397	1.3
65.00326	1.1
71.20551	0.3
83.01390	1.2
91.01931	0.4
93.03469	1.7
95.01408	0.3
96.70305	0.1
101.98821	0.1
107.01402	3.7
109.02962	0.8
112.84278	0.1
117.03484	10.9
118.03833	0.4
119.01429	0.2
119.05048	3.9
121.03020	0.3
123.00948	0.2
123.04526	0.2
125.02480	0.2
127.01205	0.2
130.04207	0.2
131.05040	0.4
132.02167	0.3
133.03000	0.3
135.00922	1.2
137.02399	0.3
141.07101	0.3
143.05040	1.4
145.02975	40.4
146.03328	2.0
147.00894	0.2
151.00389	4.5
153.01929	0.3
154.04268	0.4
155.05063	0.5
156.05794	0.3
157.06641	0.8
158.03696	0.2
159.04521	1.8
161.02451	0.2
161.06120	0.3
163.00389	2.3
163.04010	2.6
164.01137	0.4
164.04446	0.2
165.01968	0.5
167.05025	0.7
169.01501	1.1
169.02708	0.3
169.06618	0.9
171.04448	0.9
173.02444	0.2
173.06088	0.3
182.03806	0.3
183.04541	1.8
184.05148	0.3
185.02432	0.4
185.06093	2.8
187.04013	3.4
188.04234	0.2
189.05530	1.5
192.00658	0.2
195.04558	0.8
196.05125	0.4
197.06067	1.1
198.03168	0.3
199.03961	0.9
200.04790	0.2
201.05618	0.9
210.03206	0.2
211.04008	2.5
212.04552	0.6
213.01973	0.2
213.05592	2.6
214.02751	0.4
214.05882	0.2
215.03493	0.4
223.03960	0.5
226.02692	0.2
227.03505	10.9
228.03879	0.8
229.05063	9.7
229.07431	0.3
230.05431	0.8
236.21243	0.2
239.03505	1.8
240.04201	0.6
241.05037	1.6
243.03156	0.2
255.02985	22.1
256.03571	3.4
257.04532	7.0
258.04849	0.7
267.02924	0.6
268.03711	0.3
271.06134	0.3
283.02475	4.5
284.03265	16.5
285.04037	100.0
286.04404	8.7
286.07663	0.3
289.06937	0.2
309.07779	0.2
315.27536	0.2
331.08185	0.7
353.64746	0.2
375.10068	0.2
391.10425	0.2
495.12976	1.0
537.13849	1.1
617.13379	0.9
618.14124	0.3
659.14197	2.7
660.14392	0.7
677.15277	10.7
678.15607	2.5
706.65820	0.2
823.19037	8.9
824.19385	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	821.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.1
58.00581	0.9
59.01086	1.2
59.01376	21.5
61.98829	14.2
67.01854	0.5
69.03442	1.8
70.34368	0.6
71.01385	21.0
71.67366	1.2
72.99302	2.5
73.02953	3.3
74.00705	0.8
75.00848	1.7
80.02672	1.2
80.67173	0.6
81.03456	2.4
83.01392	3.2
83.05022	4.1
84.02152	1.0
85.02963	4.7
87.00871	4.7
88.65433	0.6
88.98824	2.9
89.02446	14.7
90.02855	0.6
95.01363	1.9
95.05016	1.9
96.96029	1.9
97.02948	3.0
97.06586	4.7
97.93147	1.2
99.00896	1.1
99.92582	0.9
101.02456	13.1
105.02028	0.5
109.02933	1.5
111.00889	1.4
111.04596	0.7
113.02462	6.3
114.93423	11.2
115.00370	2.6
116.92865	2.8
119.03537	4.2
120.99660	1.5
121.02881	1.2
123.00893	1.4
125.02448	4.7
125.09743	1.3
129.01894	0.7
129.20770	0.6
131.03502	0.9
135.08144	0.8
136.01682	1.6
137.02393	1.1
139.00388	0.9
143.03532	1.2
147.03065	0.8
150.03224	1.0
151.04007	1.6
151.11287	12.5
152.01109	0.7
152.11597	1.0
161.04544	1.8
163.11330	3.1
165.01968	0.9
165.05597	0.9
165.12836	1.9
169.01408	2.1
169.12354	67.5
170.12700	4.1
171.10248	0.6
177.01979	0.9
177.09296	0.6
179.03563	0.7
179.05635	1.5
181.12347	1.1
183.13918	1.8
191.10800	1.0
195.10272	0.8
207.10265	0.9
209.11836	54.9
210.12137	4.5
211.13551	2.8
212.13712	1.4
213.11342	10.5
221.06628	3.2
222.45692	0.6
227.12921	4.8
228.13264	0.8
235.08162	1.0
248.73073	0.6
253.09251	1.2
300.99899	1.0
397.13519	3.9
402.66238	0.6
415.14807	1.1
420.61972	0.7
471.31003	1.1
593.24359	0.8
611.25653	2.3
612.25757	0.9
803.37695	1.4
821.38281	100.0
822.38660	26.5
837.56165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.7
57.53849	0.8
58.00565	0.8
59.01380	97.9
61.98557	0.9
61.98836	12.6
66.52797	0.7
69.03445	1.8
71.01382	11.0
71.76450	1.7
72.99294	1.5
73.02950	4.4
83.01382	2.8
83.05028	0.8
83.57742	0.7
85.02959	6.2
86.00124	0.8
87.00877	4.0
89.02460	3.7
95.01400	1.5
96.96014	4.1
97.03010	1.0
97.06614	1.0
99.04508	2.4
101.01963	0.7
101.02459	8.6
103.00391	0.8
109.06553	1.2
113.02455	3.7
116.92849	2.9
119.03453	0.8
121.02971	0.9
121.06628	1.3
123.00882	1.6
123.04373	1.0
124.01686	1.1
125.02470	4.6
125.09723	1.0
135.04517	0.9
137.02432	1.5
139.04008	0.8
145.02974	0.8
149.02396	3.0
149.05916	0.9
150.03206	2.6
151.00313	1.2
151.04018	1.9
153.05635	0.7
159.04498	1.1
160.01643	1.3
163.11266	1.0
164.04860	1.4
165.01981	0.8
165.05605	3.7
165.12817	3.1
168.00706	0.9
169.01401	3.3
175.02478	1.1
180.04317	0.9
180.07655	0.9
181.05064	0.9
181.08670	1.0
183.13927	37.8
184.14279	1.8
189.12871	0.8
191.10838	1.1
195.06639	1.9
195.10172	0.9
197.08099	0.8
197.11938	1.0
207.13933	3.9
209.11868	7.9
210.12151	2.2
218.55904	0.8
225.14943	9.1
227.12910	41.4
228.13200	2.3
251.12920	0.9
253.08780	1.0
255.03015	1.2
256.03693	0.9
269.13849	3.2
287.14929	2.6
296.06802	3.0
297.07562	1.1
298.08316	1.6
299.09259	1.4
301.16565	22.0
302.16748	2.0
311.09335	4.7
312.09818	1.1
313.10907	2.3
315.08774	1.2
325.10797	1.6
329.10260	2.7
330.10910	1.7
341.10248	2.1
342.10703	0.8
343.11920	1.6
344.12479	3.2
345.13388	1.4
356.12466	3.2
357.13348	2.1
359.15005	7.1
367.14029	1.9
371.14670	2.6
373.13080	0.9
385.14700	1.1
397.13385	1.6
407.17245	0.8
473.14426	1.7
485.14600	3.8
488.17102	5.4
489.17657	0.8
491.15405	1.3
500.16782	1.9
503.18735	5.8
504.16034	0.9
506.18152	5.5
507.18475	4.2
515.19434	3.9
518.17828	3.0
519.18243	2.2
521.20294	15.1
522.20282	2.1
533.20038	7.5
533.30646	1.4
534.20129	1.1
534.31763	1.0
561.19714	1.1
563.21454	9.0
575.21307	9.0
576.22443	1.1
773.33978	2.3
785.33960	2.2
791.35150	22.0
792.35657	4.4
803.35229	13.5
804.35468	3.2
821.36078	100.0
822.36560	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	820.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.3
61.98832	100.0
62.98543	0.4
63.99255	0.5
71.01389	0.5
71.72736	0.2
76.46862	0.1
77.84880	0.1
78.95508	0.1
78.95924	0.6
79.95755	0.4
80.91697	0.5
80.96514	1.2
82.95432	0.4
91.03226	0.1
96.80582	0.1
96.96039	0.4
97.03018	0.1
109.06681	0.2
125.02480	0.3
149.86295	0.1
169.01439	0.2
209.11923	0.4
211.13426	0.3
225.00781	0.3
231.02986	0.2
245.00821	0.1
249.04016	0.2
273.00323	0.1
274.01364	0.2
275.02063	0.6
277.21841	0.5
300.99927	0.9
302.00574	0.2
409.01169	0.1
456.01846	0.2
456.51926	0.6
457.02466	0.2
457.51550	0.2
465.02002	0.9
465.52161	1.4
466.02588	0.6
466.52908	0.4
467.03595	0.1
492.80463	0.1
504.60330	0.1
708.78760	0.1
752.96289	0.2
820.41046	0.2
821.40125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98830	100.0
62.98538	0.3
63.99249	0.6
71.01395	0.7
71.58070	0.3
78.95929	0.4
78.98615	0.2
79.95739	0.9
80.96520	3.2
81.96429	0.1
87.00925	0.2
94.98088	0.7
97.02981	0.2
101.02489	0.2
101.46572	0.1
102.91485	0.1
116.92923	0.2
125.02473	0.3
125.93947	0.1
134.97565	0.2
136.71472	0.1
141.04594	0.1
148.99162	0.2
152.98703	0.2
154.88628	0.1
164.98711	0.4
171.10330	0.2
184.14272	0.1
197.11931	0.1
209.11885	0.6
210.12170	0.3
211.13454	0.6
225.00717	0.7
225.11397	0.2
226.01172	0.2
329.23306	0.2
397.13971	0.2
423.43628	0.1
443.49539	0.1
546.41046	0.2
583.70642	0.2
618.54480	0.1
722.32141	0.2
723.13184	0.2
785.40149	0.5
820.38519	2.5
820.51355	0.3
821.39435	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
58.00604	1.2
59.01382	25.1
61.98833	10.7
69.03458	2.6
70.04867	0.6
70.86965	1.1
70.87312	0.7
71.01386	20.7
72.99310	2.1
73.02940	3.9
75.00906	0.5
78.69444	0.6
79.95744	1.0
80.96529	5.0
81.03465	1.2
82.88480	0.5
83.01411	2.7
83.05038	1.6
85.02962	4.4
87.00887	5.1
89.02454	16.2
92.88689	0.5
93.03466	0.6
93.59735	0.5
94.98109	1.1
95.01400	0.7
96.96037	0.5
97.02944	2.7
97.06596	1.3
99.00897	1.2
101.02451	16.5
102.02785	0.7
106.31287	0.5
106.32064	0.5
109.02970	0.8
111.08167	1.4
113.02460	8.3
115.04141	0.6
119.03529	3.7
121.03027	0.7
125.02469	3.5
128.90120	0.7
139.04005	0.7
141.02020	0.5
143.03563	1.4
145.03006	1.7
161.04573	2.4
165.12868	7.7
167.10808	0.5
167.14423	0.9
171.10265	0.9
179.05585	1.7
183.13919	58.0
184.14333	3.5
187.91251	0.5
193.12350	2.1
194.87396	0.5
197.11754	0.7
197.60616	0.6
207.10303	0.9
209.11847	11.4
210.12190	1.9
211.13414	74.6
212.13774	4.7
221.06638	1.6
225.00780	1.8
225.11339	1.2
227.12897	6.4
235.08173	2.8
251.35356	0.6
253.09293	1.2
254.09843	0.6
255.02991	0.9
285.04007	3.8
286.04498	0.8
341.23383	1.6
379.12424	1.1
397.13531	10.1
415.14560	2.0
607.25940	1.3
609.27765	1.5
625.27081	1.8
783.37793	0.6
801.38257	1.0
819.40308	100.0
820.40649	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	819.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
58.00582	1.1
59.01379	19.0
60.01735	0.2
61.98832	1.4
67.01862	0.2
68.99821	0.4
69.03458	1.5
71.01384	17.4
71.05013	0.5
72.01721	0.4
72.75844	0.2
72.99311	1.3
73.02953	2.6
75.00880	0.3
80.02680	1.2
80.03091	0.2
81.03461	2.0
83.01389	2.1
83.05031	5.4
84.02180	1.0
84.05339	0.2
85.02958	3.5
87.00880	4.0
87.04560	0.2
89.02453	14.3
90.02817	0.2
93.03461	0.3
95.01398	1.2
95.05020	0.9
97.02953	2.5
97.06593	0.5
97.23721	0.2
98.19824	0.3
99.00901	1.1
99.04581	0.2
101.02455	13.6
109.02946	0.2
109.06591	0.5
111.00877	0.3
111.04531	0.7
111.08169	0.3
113.02462	7.3
114.93418	0.3
115.04047	0.3
119.03516	3.8
121.02979	0.4
123.00920	0.2
125.02456	5.4
125.06094	0.7
125.09679	0.3
126.02762	0.3
127.03989	0.4
131.03522	0.8
133.05087	0.5
135.08194	0.8
137.09741	0.3
139.04024	0.5
141.01961	0.3
143.03522	2.5
145.05086	0.3
147.11777	0.2
149.02449	0.2
149.04575	0.5
155.10773	0.2
159.02994	0.2
161.04588	3.4
163.11302	3.8
165.12851	2.9
167.03539	0.4
167.14407	0.7
171.10292	0.5
179.05612	3.6
181.12370	0.7
183.13904	7.4
184.14246	0.4
185.04671	0.3
191.10861	1.0
193.12346	1.8
199.06197	0.5
199.13339	0.3
203.05510	0.2
209.11835	100.0
210.12175	6.5
211.13396	91.0
212.13751	6.5
217.07181	0.7
221.06622	1.4
225.11229	0.3
227.12886	15.2
228.13190	0.8
235.08235	4.4
245.06596	0.3
249.14867	0.4
251.12828	0.4
253.09222	1.1
253.14523	0.3
259.08267	0.6
263.07669	0.4
287.07721	1.3
301.09378	0.2
305.08780	1.7
323.09787	1.1
341.10892	0.2
354.82813	0.2
361.11151	0.2
379.12448	6.9
380.12833	0.7
397.13519	39.1
398.13837	3.7
403.24963	0.4
415.14587	9.9
416.14868	0.9
426.01151	0.2
447.98694	0.2
575.97113	0.2
589.25110	0.9
591.26727	2.5
592.26697	0.5
607.26117	1.8
608.26276	0.3
609.27783	5.0
610.28186	0.7
783.38373	1.1
784.40039	0.2
801.39197	0.8
802.38971	0.3
819.39423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
61.98830	100.0
62.98538	0.9
62.99258	0.3
63.96228	0.2
63.99258	0.6
64.86413	0.1
66.05952	0.1
69.03466	0.2
71.01388	2.1
72.99337	0.1
73.02951	0.5
78.95915	0.2
78.98602	1.0
79.95741	2.8
80.96522	13.4
81.03468	0.3
83.01385	0.1
83.05043	0.1
85.02957	0.6
85.62532	0.1
87.00880	0.7
88.98843	0.1
89.02451	0.4
94.70292	0.1
94.98095	3.0
95.01412	0.2
96.96006	0.2
97.02951	0.4
97.06583	0.1
101.02450	0.8
106.98103	0.6
107.93213	0.1
113.02436	0.2
116.92894	0.3
122.97631	0.6
125.02438	0.6
127.04048	0.2
134.97600	1.0
136.99179	0.3
143.03580	0.1
145.02951	0.1
148.99170	1.1
152.98640	1.0
161.04539	0.1
164.98642	2.2
165.12865	0.1
171.10265	0.2
182.99860	0.1
183.13924	0.2
197.11838	0.1
199.13341	0.1
206.99692	0.6
207.10246	0.1
209.09889	0.1
209.11855	2.1
210.12170	0.1
211.13423	1.5
212.13768	0.2
225.00742	3.8
225.11368	0.1
226.01009	0.2
227.12860	0.3
271.02560	0.1
285.04083	0.2
309.37140	0.1
379.12506	0.1
397.13486	0.7
467.89917	0.1
509.16965	0.3
591.24902	0.2
721.31689	0.1
819.38593	12.5
820.38940	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	819.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.7
58.00574	1.1
59.01380	92.8
60.01674	0.8
61.98835	20.3
68.99563	5.8
69.03455	1.9
71.01384	19.3
71.73083	1.2
72.99285	1.1
73.02951	9.8
75.00846	2.8
76.08112	0.8
76.68652	0.9
78.95894	1.2
79.66694	0.8
80.91679	1.1
81.03458	1.8
83.01398	16.6
83.05036	3.9
84.01705	0.9
85.02956	5.9
87.00872	3.7
88.98816	1.2
89.02448	11.0
95.01397	1.6
95.05023	1.6
96.96026	5.5
97.02943	1.7
97.06577	2.3
98.95581	1.3
99.00879	1.8
99.04508	1.9
99.92610	5.8
101.02451	13.1
108.02183	2.1
109.02944	1.8
109.06581	2.4
111.00794	0.9
112.98570	6.4
113.02470	8.9
115.92104	5.9
116.92893	4.7
119.03490	2.9
121.02931	1.9
122.03740	0.8
123.00872	1.1
123.04533	2.0
125.02466	6.8
131.03568	0.8
134.03709	2.0
135.08131	1.0
136.01682	98.2
137.02533	9.3
139.03976	1.0
143.03548	1.7
143.04674	1.2
145.02884	1.2
145.06317	0.8
147.04555	1.0
149.02382	0.8
149.06078	1.3
149.09755	1.4
150.03188	2.8
151.04030	100.0
152.04378	4.3
156.02588	0.7
158.03728	0.8
159.04488	2.9
160.05263	5.9
161.04497	2.9
161.05843	1.0
163.04045	1.2
163.11305	2.3
165.05507	1.4
165.12825	3.4
167.10693	2.7
169.01335	1.6
169.12312	3.6
171.10254	1.6
175.07698	5.6
179.05591	2.8
181.12308	0.8
183.13872	3.7
189.12833	1.0
193.12187	0.9
195.06589	1.0
197.11836	4.9
199.13451	1.4
205.04924	2.2
206.05775	0.8
207.10168	1.7
207.13823	2.7
209.11829	51.8
210.12111	2.9
211.13409	42.3
212.13686	2.9
217.04965	2.1
219.06512	1.9
225.14977	10.9
226.15150	1.0
227.12891	61.8
228.13278	3.7
233.11792	1.2
235.08099	2.9
249.03947	0.8
251.12808	2.7
253.09309	1.3
269.13876	8.6
271.02325	1.9
272.02777	1.0
287.14954	14.6
287.97229	0.8
300.02530	2.3
300.99789	2.3
301.03287	3.1
306.07605	2.3
311.15341	1.0
327.21603	2.2
329.13507	1.8
371.16913	1.7
372.11700	1.2
373.12775	4.5
379.12317	2.4
387.14481	21.2
388.14819	2.0
397.13492	19.1
398.13895	1.8
403.24326	0.9
415.14368	4.3
431.19183	8.0
432.19107	1.2
466.02670	2.1
466.52621	1.1
577.19006	2.1
591.26849	1.3
607.22339	1.0
609.27795	1.6
610.12866	1.3
639.24841	1.3
756.16107	2.6
759.38757	1.0
783.37683	1.6
787.41217	1.9
801.34290	5.5
819.34302	67.6
820.34778	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	819.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.7
58.00574	1.1
59.01380	92.8
60.01674	0.8
61.98835	20.3
68.99563	5.8
69.03455	1.9
71.01384	19.3
71.73083	1.2
72.99285	1.1
73.02951	9.8
75.00846	2.8
76.08112	0.8
76.68652	0.9
78.95894	1.2
79.66694	0.8
80.91679	1.1
81.03458	1.8
83.01398	16.6
83.05036	3.9
84.01705	0.9
85.02956	5.9
87.00872	3.7
88.98816	1.2
89.02448	11.0
95.01397	1.6
95.05023	1.6
96.96026	5.5
97.02943	1.7
97.06577	2.3
98.95581	1.3
99.00879	1.8
99.04508	1.9
99.92610	5.8
101.02451	13.1
108.02183	2.1
109.02944	1.8
109.06581	2.4
111.00794	0.9
112.98570	6.4
113.02470	8.9
115.92104	5.9
116.92893	4.7
119.03490	2.9
121.02931	1.9
122.03740	0.8
123.00872	1.1
123.04533	2.0
125.02466	6.8
131.03568	0.8
134.03709	2.0
135.08131	1.0
136.01682	98.2
137.02533	9.3
139.03976	1.0
143.03548	1.7
143.04674	1.2
145.02884	1.2
145.06317	0.8
147.04555	1.0
149.02382	0.8
149.06078	1.3
149.09755	1.4
150.03188	2.8
151.04030	100.0
152.04378	4.3
156.02588	0.7
158.03728	0.8
159.04488	2.9
160.05263	5.9
161.04497	2.9
161.05843	1.0
163.04045	1.2
163.11305	2.3
165.05507	1.4
165.12825	3.4
167.10693	2.7
169.01335	1.6
169.12312	3.6
171.10254	1.6
175.07698	5.6
179.05591	2.8
181.12308	0.8
183.13872	3.7
189.12833	1.0
193.12187	0.9
195.06589	1.0
197.11836	4.9
199.13451	1.4
205.04924	2.2
206.05775	0.8
207.10168	1.7
207.13823	2.7
209.11829	51.8
210.12111	2.9
211.13409	42.3
212.13686	2.9
217.04965	2.1
219.06512	1.9
225.14977	10.9
226.15150	1.0
227.12891	61.8
228.13278	3.7
233.11792	1.2
235.08099	2.9
249.03947	0.8
251.12808	2.7
253.09309	1.3
269.13876	8.6
271.02325	1.9
272.02777	1.0
287.14954	14.6
287.97229	0.8
300.02530	2.3
300.99789	2.3
301.03287	3.1
306.07605	2.3
311.15341	1.0
327.21603	2.2
329.13507	1.8
371.16913	1.7
372.11700	1.2
373.12775	4.5
379.12317	2.4
387.14481	21.2
388.14819	2.0
397.13492	19.1
398.13895	1.8
403.24326	0.9
415.14368	4.3
431.19183	8.0
432.19107	1.2
466.02670	2.1
466.52621	1.1
577.19006	2.1
591.26849	1.3
607.22339	1.0
609.27795	1.6
610.12866	1.3
639.24841	1.3
756.16107	2.6
759.38757	1.0
783.37683	1.6
787.41217	1.9
801.34290	5.5
819.34302	67.6
820.34778	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	818.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61787	0.1
59.01368	0.2
61.98828	100.0
62.98525	0.2
63.99257	0.1
71.01385	0.3
71.37179	0.1
78.91899	0.3
78.95919	0.2
78.98607	0.1
79.95743	0.6
80.91706	0.3
80.96516	1.1
81.03565	0.1
83.01385	0.1
87.00882	0.1
89.02442	0.1
93.99693	0.1
94.98106	0.2
101.02503	0.1
106.98145	0.1
109.06588	0.1
113.02460	0.1
113.11371	0.1
116.92896	0.1
125.02460	0.2
125.09881	0.1
148.28856	0.1
150.23409	0.1
152.98601	0.1
164.98654	0.1
167.03561	0.1
171.10286	0.1
188.30673	0.1
204.08795	0.1
207.10274	0.2
209.11803	0.3
211.13402	0.4
225.00761	0.3
225.11443	0.1
275.01935	0.1
291.19675	0.1
293.21332	0.1
300.99875	0.1
322.70840	0.1
340.41556	0.1
397.13745	0.1
440.79285	0.1
465.01849	0.2
582.55432	0.1
629.17023	0.1
733.31781	0.1
818.38324	0.2
819.39148	0.4
819.52527	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	818.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98523	0.2
63.99257	0.1
69.70996	0.6
71.01382	0.1
78.95919	0.3
79.95737	0.2
80.91696	0.2
80.96513	0.5
83.01398	0.1
98.20724	0.1
147.57118	0.1
164.98708	0.1
181.98201	0.1
183.13960	0.2
197.11882	0.1
202.41147	0.1
211.13330	0.1
225.00804	0.1
230.42041	0.1
291.19672	0.2
317.06015	0.1
456.01724	0.2
465.02353	0.3
465.52872	0.1
471.35086	0.1
496.00928	0.1
708.94604	0.1
819.41125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.1
61.98832	100.0
62.98552	0.2
67.73648	0.1
69.22644	0.1
71.01395	0.1
71.06410	0.2
79.95725	0.1
80.96517	0.4
81.56903	0.1
113.68392	0.1
148.99164	0.1
149.45117	0.1
164.98679	0.1
175.84348	0.1
192.48259	0.1
194.58472	0.1
209.11884	0.2
210.12360	0.1
211.12675	0.1
225.00774	0.1
251.02333	0.1
277.21960	0.1
289.18152	0.1
291.19556	0.1
293.21252	0.2
307.19217	0.1
430.49124	0.1
516.38934	0.1
585.91321	0.1
616.33539	0.1
819.42352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98534	0.1
71.25298	0.1
78.95908	0.1
80.96513	0.2
97.08918	0.0
111.75955	0.0
130.53001	0.0
140.05528	0.0
197.11893	0.1
209.11909	0.1
211.13419	0.1
247.59386	0.1
393.09692	0.0
818.37030	0.1
819.38580	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	818.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98543	0.2
71.30215	0.1
71.30569	0.1
80.96554	0.1
92.95761	0.1
101.02464	0.1
143.83467	0.1
167.58099	0.1
190.72052	0.1
209.09685	0.1
209.11850	0.2
210.12202	0.1
214.81212	0.1
249.68565	0.1
546.50446	0.1
819.38519	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	818.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98830	100.0
62.98526	0.2
63.96220	0.1
71.00394	0.1
71.01388	0.5
71.48595	0.0
72.18221	0.0
73.02945	0.1
78.98600	0.3
79.95733	0.6
80.96520	3.5
85.02972	0.2
87.00897	0.2
89.02450	0.1
94.98100	0.8
95.01398	0.1
96.96054	0.1
97.02980	0.1
100.70274	0.1
101.01878	0.1
101.02443	0.2
104.28158	0.1
106.98121	0.2
113.02475	0.1
116.92880	0.0
122.97621	0.1
125.02499	0.2
127.04087	0.0
134.97578	0.2
136.99173	0.1
146.97701	0.0
148.99176	0.3
152.98627	0.2
160.19223	0.0
163.11261	0.1
164.98633	0.6
171.10320	0.1
183.13969	0.1
197.11876	0.1
206.99689	0.1
208.10667	0.1
209.11862	0.5
210.12291	0.1
211.13452	0.6
212.13831	0.1
225.00754	1.0
225.11427	0.1
227.12946	0.1
235.08157	0.1
239.69714	0.1
253.09346	0.1
259.04684	0.1
285.03854	0.1
294.33124	0.1
327.21933	0.1
328.22134	0.1
341.23544	0.1
397.13589	0.1
509.17282	0.2
591.25629	0.1
772.37604	0.1
800.38983	0.1
818.39771	0.1
819.38641	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	817.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
57.14244	0.1
58.00595	0.8
59.01381	12.6
61.98832	19.6
62.98547	0.1
63.99265	0.2
66.21672	0.1
67.01876	0.2
68.99846	0.2
69.03471	0.9
71.01386	12.5
71.05017	0.2
71.73188	0.2
71.73601	0.2
72.01730	0.1
72.99312	1.4
73.02954	1.9
73.52165	0.1
75.00895	0.3
78.95890	0.2
79.95739	0.5
80.02672	0.8
80.96525	0.8
81.03468	1.4
83.01391	1.7
83.05034	3.3
84.02184	0.6
84.05331	0.2
85.02963	3.0
86.03352	0.2
87.00891	3.2
89.02454	9.8
93.03513	0.3
94.98120	0.2
95.01409	1.0
95.04501	0.2
95.05026	1.0
97.02956	2.3
97.06608	0.4
99.00901	0.8
99.04521	0.3
101.02456	8.6
102.02782	0.1
109.02954	0.4
109.06622	0.7
111.00881	0.7
111.04551	0.5
113.02465	4.9
115.04063	0.3
116.92896	0.4
117.03542	0.2
119.03517	2.4
121.02993	0.4
123.00923	0.2
123.04576	0.1
124.01653	0.3
125.02464	4.6
125.06085	0.3
125.09768	0.2
126.90440	0.3
129.01906	0.2
131.03519	0.4
133.05130	0.3
135.08194	0.5
137.02469	0.2
139.04041	0.3
141.01955	0.3
143.03520	1.8
145.03015	0.5
145.05101	0.2
147.11934	0.2
149.04546	0.2
160.55898	0.2
161.04584	2.5
161.09737	0.2
163.11327	3.4
165.05853	0.1
165.12883	1.8
167.03514	0.3
171.10272	0.2
179.05646	2.3
179.10713	0.3
181.12384	0.5
181.41295	0.1
182.12720	0.2
183.14008	0.4
183.77133	0.1
185.04630	0.2
191.10855	0.7
193.79202	0.2
197.11899	0.7
199.06134	0.3
199.13318	0.2
207.10306	2.0
209.11847	100.0
210.12173	5.4
211.13409	3.1
212.13660	0.2
217.07190	0.6
221.06720	1.1
222.54413	0.1
223.13441	0.6
225.00768	0.2
225.11345	4.3
226.11716	0.4
227.12904	8.6
228.13278	0.5
233.11902	0.1
235.08235	3.7
241.10860	0.2
241.14565	0.4
245.06789	0.2
251.12901	0.4
253.09180	0.7
259.08276	0.4
263.07568	0.3
284.03137	0.2
285.04068	0.6
287.07635	1.3
305.08810	1.2
323.09802	0.6
327.21649	0.3
361.11774	0.2
373.23981	0.2
379.12448	5.4
380.12769	0.5
382.40848	0.1
391.25067	0.2
397.13535	26.6
398.13867	1.9
401.23450	0.5
413.18427	0.2
415.14587	5.5
416.14975	0.4
419.24353	0.3
589.25146	0.7
605.24487	0.5
607.25928	1.6
623.25348	0.4
771.38733	0.3
773.37689	0.2
781.37585	0.5
799.37860	1.3
800.38507	0.3
817.38251	2.1
817.51288	0.2
818.38580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
58.00592	0.7
59.01380	12.0
60.01713	0.2
61.98831	18.3
62.98516	0.2
65.94365	0.1
68.99838	0.2
69.03458	0.8
71.01385	13.0
71.05026	0.2
71.68641	0.2
72.99313	1.3
73.02949	2.2
74.03313	0.1
75.00885	0.4
78.95931	0.3
79.95745	0.4
80.02689	1.1
80.96520	0.9
81.03463	1.2
83.01393	1.8
83.05029	3.7
84.02161	0.6
85.02436	0.2
85.02958	3.2
86.00104	0.1
87.00886	3.3
88.98817	0.2
89.02454	10.5
93.03477	0.3
94.98079	0.2
95.01387	1.1
95.05030	0.6
97.02969	2.1
97.06614	0.3
99.00896	0.9
100.64143	0.2
101.02456	8.9
102.02779	0.4
107.01365	0.2
108.02213	0.1
109.02996	0.4
109.06611	0.7
111.00916	0.6
111.04536	0.4
111.08173	0.2
113.02468	5.1
115.03983	0.2
116.92889	0.5
119.03518	2.7
121.03011	0.4
123.00909	0.2
123.04512	0.2
125.02460	4.3
125.06121	0.4
125.09731	0.5
126.90482	0.4
131.03539	0.4
133.05099	0.3
135.08188	0.7
139.04037	0.5
141.01947	0.3
143.03535	2.0
145.02954	0.3
147.11841	0.2
149.04533	0.3
151.04053	0.1
151.11317	0.2
161.04575	2.3
163.11308	3.3
165.12846	1.7
166.13152	0.1
167.03479	0.4
169.01500	0.2
169.05043	0.2
171.10272	0.3
179.05629	2.5
179.10779	0.2
181.12366	0.5
183.13895	0.3
185.04539	0.2
191.10797	0.9
197.11888	0.9
199.06181	0.3
199.13429	0.3
207.10268	1.8
208.10635	0.2
209.11842	100.0
210.12173	6.9
211.13393	2.4
212.13701	0.3
217.07155	0.5
219.05147	0.1
221.06711	1.1
223.13483	0.6
224.98564	0.1
225.00833	0.2
225.11346	4.2
226.11702	0.3
227.12900	8.8
228.13214	0.6
235.08223	3.3
241.10933	0.1
241.14528	0.2
245.06749	0.2
251.12955	0.4
253.09302	0.7
259.08182	0.4
263.07672	0.2
285.04050	0.6
287.07730	0.9
301.09409	0.2
305.08722	1.4
323.09811	0.8
327.21463	0.2
329.50339	0.1
353.47253	0.1
361.11832	0.3
373.24023	0.2
379.12469	4.9
380.12921	0.4
383.22400	0.2
391.24609	0.2
397.13519	25.6
398.13864	2.3
401.23407	0.5
415.14560	5.6
416.14853	0.4
419.24432	0.4
502.31543	0.2
589.25049	0.9
605.24634	0.4
607.26031	1.6
608.26160	0.4
623.25659	0.5
701.34167	0.3
771.39368	0.2
781.37085	0.4
799.38348	1.2
800.38306	0.4
817.38330	2.2
817.52161	0.2
818.39124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
61.98831	100.0
62.98534	0.3
63.99252	0.2
64.62695	0.1
69.57037	1.3
71.01366	0.2
78.95937	0.3
79.95736	0.1
80.91704	0.1
80.96545	0.3
94.98158	0.2
96.96108	0.1
98.20650	0.2
99.16329	0.1
113.02476	0.1
116.92873	0.1
157.33484	0.1
165.12885	0.2
183.13936	1.5
186.29115	0.1
197.11900	0.2
199.13446	0.1
203.25623	0.1
207.10345	0.1
209.11945	0.4
211.13435	0.9
212.13702	0.3
227.12950	0.4
253.09485	0.2
291.19586	0.2
307.19235	0.3
309.20508	0.2
400.82123	0.1
471.34964	0.5
753.40619	1.7
754.42041	0.4
817.39319	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.4
59.01381	1.6
61.98832	100.0
62.98541	0.3
63.96236	0.6
69.03465	0.5
69.99597	0.9
70.00026	0.5
71.01387	5.0
72.99325	0.5
73.02946	0.9
75.00882	0.4
78.95912	0.6
78.98597	2.8
79.95743	7.5
80.02706	0.3
80.96525	35.0
81.03450	0.6
82.96100	0.3
83.05013	0.4
85.02951	1.3
86.53213	0.2
87.00897	1.4
89.02446	0.4
91.07703	0.3
94.98099	7.4
95.01384	0.4
96.96041	0.6
97.02038	0.2
97.02966	1.3
98.20588	0.3
99.00900	0.4
101.02472	1.5
106.98106	1.7
109.06615	0.3
111.08173	0.4
113.02465	0.8
116.92863	0.5
122.97568	1.8
125.02498	1.5
125.09695	0.3
127.04025	0.4
134.97603	2.6
136.99190	0.7
148.99174	2.9
152.98660	3.1
163.11302	0.8
164.85568	0.2
164.98647	6.1
165.12875	0.4
169.01418	0.3
169.12471	0.3
171.10266	1.0
173.84636	0.3
183.13908	0.7
185.11807	0.8
197.11841	1.3
198.11964	0.3
201.11298	0.8
203.81302	0.2
206.99681	1.1
207.10291	1.4
209.11844	6.4
210.12184	1.1
211.13469	2.3
225.00743	9.4
225.11205	1.2
227.12862	1.4
228.13045	0.3
229.14539	0.3
235.08273	0.6
253.09280	0.9
283.04898	0.3
289.17953	0.4
291.19678	1.0
292.19818	0.3
293.21185	0.9
309.20663	1.8
310.20993	0.5
311.22226	0.6
312.66031	0.3
341.05438	0.3
359.88464	0.2
397.13391	0.6
429.52472	0.3
509.16751	0.7
548.30365	0.3
607.25012	0.3
799.37067	0.7
817.37097	32.4
817.48877	1.2
818.37372	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	816.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
61.98830	100.0
62.98536	0.2
70.42258	0.1
71.01426	0.1
79.95752	0.1
80.96492	0.4
89.02497	0.1
96.96009	0.1
101.02464	0.1
111.32575	0.1
130.42012	0.1
141.01726	0.5
141.94295	0.1
148.07851	0.1
169.12280	0.1
197.11870	0.2
207.10263	0.1
209.11867	0.2
211.13467	0.1
270.31067	0.1
309.20761	0.1
629.90070	0.1
710.06067	0.1
816.36737	0.1
816.50537	0.1
817.37317	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.1
61.98830	100.0
62.98534	0.2
63.99264	0.1
70.42061	0.1
70.42472	0.2
71.01398	0.2
75.00898	0.1
78.16753	0.1
78.91907	0.2
78.95913	0.1
79.95734	0.1
80.96513	0.5
83.05084	0.1
87.00866	0.1
88.98828	0.3
89.02458	0.1
94.98128	0.1
98.20612	0.1
101.02454	0.1
102.54606	0.1
109.06571	0.1
113.02431	0.1
114.52663	0.1
125.02502	0.1
134.83942	0.1
152.98692	0.1
164.98769	0.1
165.55148	0.0
171.10335	0.2
172.10718	0.1
181.12314	0.1
197.11938	0.1
201.11386	0.1
207.10324	0.2
209.11812	0.7
210.12228	0.4
211.13290	0.1
225.00813	0.1
225.11369	0.1
227.12967	0.2
253.09425	0.1
291.19672	0.1
292.20190	0.1
293.21277	0.1
308.19196	0.1
309.20737	0.1
310.21170	0.2
311.22369	0.1
319.81415	0.1
347.57874	0.1
420.15851	0.1
510.48654	0.1
816.50989	0.1
817.38293	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01378	1.6
60.56943	0.1
61.98831	2.0
63.96240	2.5
64.97018	0.3
69.03470	1.0
70.89786	0.5
71.01385	10.5
72.99306	0.4
73.02950	2.1
75.00884	0.2
78.95908	1.1
78.98598	8.8
79.95743	17.4
80.96523	100.0
81.03449	1.0
81.96458	0.4
82.96107	0.2
83.01389	0.5
85.02956	4.0
87.00881	3.9
87.04518	0.2
93.22198	0.1
93.97313	0.3
94.98096	22.9
95.01407	0.5
96.96024	1.7
97.02958	2.0
99.00882	0.8
99.04525	0.3
101.02449	3.2
101.03082	0.3
106.98095	4.4
109.02972	0.2
113.02453	0.6
116.58176	0.1
120.99668	0.2
122.96726	0.3
122.97598	4.4
125.02462	4.1
126.02792	0.1
127.04020	1.1
134.97604	7.0
136.99165	2.0
138.97110	0.2
141.01729	0.2
143.03456	0.2
143.99210	0.2
145.05045	0.1
146.97589	0.5
148.99159	8.6
149.99408	0.1
150.97050	0.2
151.97813	0.2
152.98637	7.8
153.98944	0.2
161.04607	0.2
164.98645	15.4
165.99017	0.2
167.00191	0.5
176.98589	0.2
179.00220	0.3
182.99658	0.2
188.98668	0.4
206.99701	3.2
207.99942	0.2
224.30510	0.1
225.00739	21.1
226.01196	0.8
241.01202	0.2
255.23291	2.8
256.23508	0.3
262.99084	0.2
277.21738	1.8
278.22086	0.2
283.05045	0.3
537.27380	1.4
538.27631	0.4
555.28009	0.2
559.25891	2.1
560.26111	0.5
757.51300	0.1
774.77606	0.2
815.50043	90.3
816.50433	24.6
816.62286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98542	0.1
62.99263	0.1
65.93705	0.1
71.01400	0.1
71.01718	0.1
71.02079	0.1
75.35896	0.1
79.95736	0.1
80.96485	0.3
82.17159	0.1
92.39410	0.0
94.98107	0.1
113.03921	0.1
116.92898	0.1
140.85849	0.0
163.32083	0.1
173.07535	0.1
194.72423	0.1
197.11836	0.1
207.10381	0.1
209.11873	0.3
210.12187	0.1
225.00885	0.1
253.09413	0.1
264.95483	0.1
309.20731	0.1
507.53802	0.1
797.75470	0.1
816.50879	0.2
817.37634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	0.3
59.01380	4.9
59.89717	0.3
60.99305	0.8
61.98832	4.7
66.81475	0.3
71.01377	4.1
71.55947	0.6
72.99302	0.4
73.02966	0.9
75.00888	0.8
76.34711	0.3
78.95908	10.5
79.95747	1.2
80.02682	0.9
80.96526	2.2
81.03481	1.3
81.75099	0.3
83.01409	0.5
83.05034	3.6
83.59063	0.3
84.02179	0.6
84.05367	0.3
85.02959	0.9
87.00889	1.1
88.98822	3.3
89.02450	2.8
94.98095	0.8
95.01402	0.4
95.05027	1.0
96.96972	1.8
97.02989	0.4
101.02444	3.1
109.06583	0.5
113.02465	1.5
115.27055	0.3
119.03500	0.7
125.06087	0.5
125.09799	0.3
135.08150	0.6
145.05153	0.4
152.99622	2.0
161.04572	1.5
163.11308	4.1
164.98648	0.3
165.12859	1.9
171.10283	4.7
181.12321	0.8
191.10800	0.6
199.09717	0.7
207.10239	1.2
209.11835	100.0
210.12158	6.3
223.00182	0.8
225.00818	0.6
225.11342	0.8
227.12877	12.3
228.13167	0.8
233.22635	0.5
235.08217	4.5
241.01199	4.3
253.09264	9.2
255.23277	4.9
256.23621	0.7
259.20624	0.5
277.21707	89.6
278.22070	10.1
278.24911	0.3
445.20776	3.0
463.21432	0.4
513.30542	1.5
725.38757	2.8
779.39886	1.5
797.41187	8.2
798.41357	2.6
815.40564	2.1
816.42529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
58.00596	1.4
59.01380	26.1
61.98834	25.1
68.18310	0.6
68.87496	0.5
68.92489	0.6
71.01390	21.7
71.73651	1.0
71.86372	0.6
72.99317	3.1
73.02945	1.2
78.95885	0.9
79.95733	0.9
80.96526	5.0
81.03506	0.7
83.01392	1.9
83.82063	0.6
85.02965	5.7
87.00878	2.2
88.98821	2.6
89.02456	15.5
93.03468	1.9
93.41382	0.6
94.98088	1.8
95.01385	2.7
96.96027	3.1
97.02954	1.3
99.00876	1.0
101.02467	13.0
107.01398	5.4
109.02963	0.8
111.00893	2.6
113.02458	6.4
115.00358	0.7
116.92873	2.3
119.03540	3.9
121.02959	1.7
123.00903	6.0
123.04450	0.6
124.01699	1.9
125.02465	36.2
126.02790	1.3
136.98824	1.3
137.02467	1.0
139.00395	2.9
140.01161	2.3
141.01935	1.3
145.02924	0.7
149.99580	0.8
151.00395	3.0
151.04033	0.7
153.01959	1.4
164.98720	0.7
165.02010	1.0
167.03542	0.9
168.00658	13.0
169.01442	43.5
170.01826	1.5
182.61243	0.7
183.02924	0.7
207.10291	1.1
209.11847	1.9
211.02490	41.7
211.13461	1.1
212.02818	2.1
225.00803	1.2
225.11369	0.8
225.95493	0.6
241.03497	1.2
271.01666	1.4
271.04584	26.2
272.04916	1.0
300.99728	1.4
313.05612	7.9
428.49988	0.6
439.05405	0.7
439.32184	2.5
483.30798	1.0
487.30487	2.3
501.32254	10.8
502.32452	1.8
522.63989	0.7
663.37573	1.1
753.38409	1.1
797.37396	1.1
815.38684	100.0
816.39063	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
57.32129	0.2
57.37043	0.2
59.01379	1.8
67.01904	0.4
68.99802	0.2
69.03473	0.4
69.46636	0.4
69.47038	1.7
71.00985	0.2
71.01383	3.9
71.05012	0.3
72.99300	0.6
73.02954	1.1
75.00883	1.1
79.01882	0.5
83.01394	0.7
85.02961	2.7
87.00880	0.9
89.02436	0.6
95.01389	1.4
97.02959	0.5
99.00873	0.8
101.02453	1.7
104.56084	0.2
107.01402	2.4
108.66222	0.2
109.02984	0.2
111.00879	0.8
112.81612	0.2
113.02468	3.0
114.02689	0.2
121.02966	7.4
123.00900	8.2
124.01761	0.4
125.02464	13.6
126.02757	0.4
127.00436	0.5
129.01967	0.3
135.02708	0.2
135.04498	0.8
136.98805	0.8
137.02432	0.6
138.32950	0.2
139.00395	2.3
139.04045	0.2
140.01184	1.4
141.01970	1.2
145.02988	0.2
147.06572	0.2
151.00394	6.5
151.03964	0.3
152.00764	0.3
153.01965	0.5
161.04591	0.4
163.04048	0.2
165.01874	0.2
167.03493	0.4
168.00656	1.7
169.01440	19.0
170.01791	0.6
179.03456	0.4
181.05013	0.2
189.04025	0.3
203.03561	0.2
211.02489	0.7
231.05121	0.3
241.03352	0.3
249.06129	3.1
253.03447	0.5
271.04510	0.7
291.10818	0.6
300.99966	0.3
310.13077	0.2
313.05627	3.8
314.05823	0.3
371.09824	9.3
372.10233	0.7
429.13968	2.0
443.11914	100.0
444.12280	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	814.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
61.98832	100.0
62.98541	0.2
71.01391	0.2
73.02946	0.1
75.00916	0.1
77.34295	0.1
77.41012	0.1
78.95937	0.1
79.95747	0.1
80.96515	0.6
85.02998	0.1
91.10554	0.1
94.98100	0.1
98.33828	0.1
98.95918	0.1
101.02456	0.1
116.92879	0.1
125.02468	0.1
164.98668	0.1
185.11835	0.1
197.11859	0.3
198.61572	0.1
199.13448	0.2
207.10335	0.1
208.10522	0.1
209.11909	0.5
210.12268	0.1
211.13446	0.2
225.00809	0.1
225.11472	0.1
227.12834	0.2
253.09343	0.1
289.18161	0.1
291.19693	0.1
293.21213	0.1
301.00027	0.1
309.20813	0.2
637.55811	0.1
647.85822	0.1
701.39209	0.1
754.43744	0.1
815.38361	0.2
815.51086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
60.99306	18.4
61.98827	1.2
69.61214	2.2
71.01399	0.3
78.95905	1.9
80.96549	0.5
87.00892	1.5
87.37732	0.2
88.00425	2.1
88.01270	0.2
88.98814	100.0
89.02451	15.3
89.99144	1.0
95.78296	0.2
96.96980	0.6
97.02988	0.3
101.92883	0.2
115.73318	0.2
121.67878	0.2
127.00233	0.2
146.58038	0.2
152.99628	0.5
164.83615	0.5
209.11832	1.8
223.09587	0.2
241.01160	1.1
255.23337	1.2
277.21646	2.2
278.22278	0.2
353.31482	0.3
408.88235	0.2
506.39001	0.2
512.51349	0.3
628.29755	0.2
628.41748	0.2
795.39386	1.9
813.42767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37296	0.2
60.99306	17.3
61.98828	1.3
72.91048	0.2
78.95927	1.3
80.96505	0.3
87.00889	0.6
88.00416	1.1
88.98815	100.0
89.02451	7.6
89.99122	1.1
96.96991	0.4
151.11290	0.2
152.99654	0.4
201.16246	0.2
209.11790	1.5
227.12932	0.3
241.01146	0.5
255.23355	0.8
259.95895	0.2
277.21777	1.0
383.21786	0.2
442.71460	0.2
643.25586	0.3
795.39441	2.1
796.40350	0.4
813.41986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
59.01379	8.0
61.98831	40.6
68.09492	0.4
68.82646	0.4
69.03454	0.7
71.01389	6.5
71.05019	0.4
71.91938	0.4
72.24561	0.4
72.76376	0.3
72.99322	0.8
73.02951	1.0
75.00876	5.5
78.95901	0.5
80.02686	1.2
80.96525	0.5
81.03462	1.8
83.01394	1.4
83.05032	5.4
84.02168	0.8
85.02957	1.3
85.96938	0.4
87.00883	2.2
89.02455	3.0
93.03439	0.6
95.01421	0.6
95.05017	1.5
97.02959	0.8
97.06599	4.1
98.06940	0.4
101.02448	3.3
107.05064	0.4
109.06592	1.6
111.00868	0.5
111.08183	2.2
113.02496	2.0
119.03522	1.0
121.02971	0.5
123.04573	0.7
123.08173	0.6
125.02506	0.8
125.06094	0.8
125.09734	1.6
135.08147	0.7
137.06017	0.5
143.03514	0.5
145.05074	0.6
147.11792	0.8
149.09744	0.6
151.07851	0.4
151.11314	3.9
153.09180	0.7
153.12904	0.8
155.10785	1.6
161.04561	1.4
163.11305	6.2
163.18619	0.4
165.12860	7.6
167.10797	1.2
169.12346	1.0
171.10310	1.1
177.09261	0.7
177.12816	0.6
179.10771	1.5
181.12376	5.2
183.13922	1.4
185.11794	0.5
191.10760	3.2
191.14417	1.3
192.11255	0.4
197.11845	1.1
199.13382	0.6
205.12323	0.8
207.10249	2.6
209.11836	100.0
210.12164	7.2
211.13391	2.5
224.10455	0.4
224.13631	0.5
225.11316	1.7
227.12889	20.8
228.13167	0.9
235.08192	2.9
245.19109	6.7
247.13335	0.6
253.09285	9.3
263.20169	8.9
264.20544	0.9
271.16971	1.0
279.19604	1.1
289.18057	13.2
290.18436	1.6
291.19537	1.3
301.00137	0.4
307.19150	34.8
308.19504	3.1
309.20505	1.8
445.20837	9.3
446.21143	1.5
451.01874	0.7
460.19424	0.4
525.26770	1.9
543.28058	9.8
544.28162	1.3
610.27258	0.4
637.32318	2.0
638.32172	0.5
655.33624	1.0
717.38702	0.6
735.39575	1.8
736.39294	1.0
753.41852	2.4
754.41846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.9
61.98832	30.3
63.80233	0.6
69.03460	1.3
71.01386	6.9
72.99313	0.9
73.02940	0.9
74.87377	0.5
80.96517	1.0
82.58144	0.6
83.01402	1.0
83.05045	0.6
85.02962	1.5
85.79587	0.5
88.98817	4.0
89.02454	1.3
93.58167	0.6
95.01404	1.5
96.96051	1.3
97.02966	0.9
99.00928	0.8
101.02466	2.2
107.01409	8.0
111.00913	1.7
113.02489	1.3
116.92909	1.4
119.05015	1.1
123.00905	7.4
123.56671	0.6
125.02463	63.8
126.02781	1.5
136.01707	0.7
137.02448	1.0
139.00410	1.9
140.01198	1.4
141.01939	0.9
145.02954	2.1
151.00371	5.3
153.01961	0.6
161.02524	0.9
165.05569	0.8
167.03525	0.8
168.00642	2.5
169.01442	100.0
170.01776	3.7
207.10287	0.7
209.11845	3.0
210.12169	0.6
211.02452	2.2
211.13408	2.5
223.13426	1.5
241.03519	7.9
309.21036	0.6
313.05630	39.9
314.06079	3.7
397.13388	1.4
428.55771	0.6
442.29990	0.7
499.30573	0.8
537.60248	0.7
813.37231	63.0
814.37488	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	811.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.9
61.98828	1.7
63.96242	2.3
64.50961	0.7
67.62502	0.8
69.03465	1.4
71.01392	10.6
71.04976	0.8
73.02969	2.0
73.51511	0.7
78.95903	2.0
78.98601	9.5
79.95745	19.1
80.96529	100.0
81.03480	1.1
81.95315	0.9
82.96119	3.2
83.01398	0.9
85.02956	2.8
87.00887	4.0
94.98096	20.9
95.98499	0.7
96.96017	1.7
96.97690	1.0
97.02953	2.4
101.02443	2.2
106.98111	4.9
117.29005	0.7
122.97596	6.8
123.67455	0.7
125.02456	3.3
127.04032	0.8
134.97591	5.3
136.99141	1.0
148.99167	8.6
152.98665	7.4
164.98648	14.1
167.02238	0.7
177.78613	0.7
206.99725	4.1
209.11847	2.4
225.00757	25.0
228.40434	0.9
229.58803	0.9
232.81541	0.7
246.82608	0.7
269.24823	1.7
413.97964	0.8
511.47913	0.9
541.19672	2.9
551.28619	1.2
793.43512	2.4
811.45331	97.3
812.45654	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
59.01386	3.8
60.99309	0.7
61.98833	26.9
65.00340	0.7
67.01877	0.6
69.03460	1.2
71.01382	6.8
71.21800	1.3
72.99326	0.9
73.02960	1.2
75.00916	0.7
80.96520	0.7
85.02973	1.4
87.00881	1.6
88.98820	3.0
89.02470	1.9
94.15630	0.6
94.98051	0.5
95.01408	1.3
96.96030	0.8
97.02975	1.5
101.02462	2.2
107.01409	7.3
111.00884	1.6
113.02457	1.4
116.92851	1.1
117.17377	0.5
123.00893	6.5
123.08077	0.6
124.01675	1.0
125.02460	63.5
126.02838	1.4
136.01704	0.7
137.02438	1.1
139.00385	2.7
140.01183	2.4
141.01884	1.7
145.02907	1.0
151.00389	5.0
151.03989	1.2
153.01988	0.7
161.04581	0.6
167.03488	0.9
168.00700	2.2
169.01443	100.0
170.01781	2.7
179.03644	0.8
181.01474	0.9
183.65750	0.6
193.01436	0.7
209.11845	3.5
211.02518	2.3
211.13469	3.0
223.02348	0.8
223.13373	1.8
241.03502	7.4
253.03282	0.7
260.81689	0.6
298.07474	0.6
300.99683	0.7
313.05652	37.5
314.06104	2.3
499.30545	0.9
651.38239	1.2
813.37219	59.0
814.37421	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	811.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01376	10.7
61.98836	2.8
69.03458	3.0
71.01389	5.5
71.05020	0.6
72.99306	0.9
73.02950	0.6
81.66621	0.5
83.05016	1.0
85.02953	1.4
85.06600	0.6
87.00871	1.3
89.02463	2.5
92.23921	0.4
93.03453	0.8
95.01398	0.6
95.05063	0.6
96.91699	0.4
97.02946	1.4
98.20666	0.9
100.58253	0.4
101.02452	4.4
109.06570	1.3
111.08176	5.3
113.02448	2.1
115.66352	0.5
116.92834	0.6
119.03542	1.2
125.02435	0.7
125.09729	0.6
135.08173	0.4
149.09659	0.7
153.09216	0.5
161.04565	2.3
163.11304	1.0
167.10786	3.0
169.12338	3.0
171.10251	0.9
179.05644	0.5
179.10785	1.4
179.14383	3.1
181.12292	1.4
194.95441	0.5
195.13904	10.7
196.14423	0.6
197.11839	29.5
198.12196	1.7
199.13394	1.3
205.12349	8.8
206.12773	0.6
207.10251	1.2
209.11813	1.5
211.13435	5.0
223.13391	100.0
224.13737	6.4
225.11311	1.8
227.12909	1.7
235.08231	5.7
247.20642	0.8
253.09280	14.7
254.09531	0.8
263.20172	2.1
265.18094	0.9
280.79211	0.5
291.19647	16.1
291.22925	0.8
292.20053	1.1
301.00287	0.6
307.19263	0.6
309.20718	50.7
310.20987	5.1
441.21371	1.2
459.22314	13.8
460.22751	2.1
515.33667	0.7
527.28778	1.0
545.29602	2.3
546.29193	0.6
751.43042	3.7
752.44055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.3
59.01379	27.0
61.98828	10.2
69.03487	1.5
69.87173	1.5
69.87578	4.3
71.01384	10.3
72.99335	1.2
73.02930	2.2
78.95910	0.8
80.02690	1.7
81.03455	4.8
83.01389	4.9
83.05025	4.3
85.02977	3.1
87.00890	2.5
88.98843	1.2
89.02458	6.8
93.03482	1.4
95.01409	1.5
95.05041	2.3
97.02952	10.1
97.06618	3.6
99.00919	2.9
101.02458	9.1
103.86462	0.8
106.04279	1.0
107.05042	2.2
109.06610	39.1
110.03775	2.0
110.06982	0.8
113.02473	4.7
116.92910	1.2
119.03515	1.4
119.50634	0.8
121.06609	3.2
123.04539	3.8
123.08180	2.3
125.09750	8.0
135.08174	4.5
136.05299	1.7
137.09737	2.7
142.02730	3.7
145.05054	1.8
148.01344	0.8
161.04590	1.9
161.09727	2.9
163.11310	25.8
164.11613	1.8
165.09242	1.2
165.12923	1.0
167.10794	1.0
171.10292	1.9
179.05640	1.0
179.10902	1.6
181.12363	6.6
183.13625	1.2
185.11835	7.3
187.09645	1.2
189.09209	2.0
191.14442	5.7
195.13942	1.1
197.11833	1.4
207.10278	100.0
208.10583	5.6
209.11847	25.1
210.12167	1.5
211.13373	2.5
217.02049	0.9
223.13440	4.7
225.11322	44.3
226.11708	3.8
227.12917	1.6
235.08176	5.8
237.11374	1.4
245.19089	9.3
253.09280	16.1
263.20172	2.3
271.17081	1.3
289.18109	38.6
290.18518	3.1
291.19632	2.0
305.17657	1.6
307.19156	32.8
308.19443	3.9
309.20770	3.4
314.60718	0.8
345.16885	0.9
399.21823	3.8
417.22873	1.7
443.19162	4.0
461.20279	10.5
462.20731	1.8
479.28027	3.0
497.29263	5.9
498.28842	1.1
515.29999	2.4
543.28217	1.6
586.48004	0.9
609.28876	1.1
611.31262	1.4
635.31067	6.6
636.31543	2.2
653.31836	4.2
715.37128	4.4
716.38019	0.9
733.38287	10.8
734.38531	3.6
751.39465	31.6
752.39862	9.3
811.41779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04146	0.4
59.01379	6.9
59.02507	0.8
61.98833	17.1
68.99820	0.5
69.57526	1.3
69.57946	2.8
71.01387	2.2
73.02955	0.9
85.02956	1.3
85.96410	0.4
87.04561	0.6
88.98823	1.8
89.02472	0.9
93.02908	0.7
93.03460	4.5
96.96035	0.8
99.92624	0.7
101.02458	1.1
105.03519	0.6
107.05031	0.7
108.02184	1.2
109.02996	1.2
113.02489	1.0
116.92880	3.7
117.17376	0.4
117.92898	0.9
118.92664	0.9
120.99652	0.5
121.02972	5.5
122.03762	15.0
122.24341	0.4
123.00874	1.4
123.04509	1.6
124.01718	1.1
125.02465	2.0
131.00995	0.8
132.02184	1.0
133.02985	1.5
134.03732	1.4
135.04521	1.1
136.01660	3.7
137.02475	4.8
138.03203	0.6
145.02971	1.1
146.03722	0.5
147.04477	1.2
149.02464	22.7
149.06175	0.5
150.03244	100.0
151.04018	8.0
153.05627	0.4
158.03831	0.5
160.01677	2.3
161.02449	0.7
161.04594	0.5
162.03258	0.8
163.04048	0.9
164.04811	5.3
165.01944	19.5
165.05588	95.1
166.02573	1.5
166.05902	4.4
169.01422	1.3
174.03224	0.5
175.04021	1.8
176.04808	0.6
176.39775	0.4
177.01959	0.6
177.05551	1.5
178.05859	0.4
179.03532	6.0
179.07129	2.8
180.04295	19.6
181.05035	2.5
181.08774	0.6
182.05800	1.3
189.05600	0.6
190.06352	2.0
191.03676	0.6
191.07172	2.1
192.04269	0.6
193.05054	1.5
194.05885	2.8
195.06638	92.6
196.06975	6.1
197.08171	1.0
205.08665	2.0
207.06596	1.9
208.07355	1.1
209.08011	0.6
209.11786	1.5
210.05391	2.5
210.11995	0.5
223.09766	0.8
225.07684	18.3
225.33405	0.4
226.08084	1.3
227.12975	1.1
239.07031	0.5
239.36485	0.5
242.09407	2.0
245.08107	0.6
255.02994	0.5
257.11865	1.5
258.09091	0.6
269.04657	0.9
269.08060	1.4
270.08966	4.9
271.09372	0.5
273.11319	0.6
283.09418	0.5
284.06805	1.3
285.07910	0.8
285.11237	5.8
286.08438	1.9
286.11356	0.7
297.07541	1.0
298.05533	0.5
298.08334	2.9
299.09241	4.6
300.09824	0.8
300.99969	0.8
301.10709	1.9
310.08505	1.4
311.09232	2.4
313.07352	0.8
313.10788	2.3
314.07993	6.1
315.08197	0.6
323.09116	0.7
324.10004	1.3
325.07370	0.5
325.10687	2.7
326.07831	2.1
326.11575	1.1
327.08624	0.7
327.12216	0.5
328.09482	1.6
328.13086	1.0
329.10291	15.3
330.10623	2.0
331.11899	0.7
340.13223	0.8
341.10284	18.1
342.10635	2.3
343.11868	3.6
344.12643	25.2
345.13071	3.9
355.11920	0.7
356.12659	8.5
357.13150	2.1
358.14130	2.2
359.14999	53.8
360.15393	6.4
371.15012	33.2
371.18811	0.4
371.20004	0.5
372.15335	4.3
373.12930	8.9
374.13467	1.1
374.62469	0.5
389.16083	6.2
390.16400	0.7
403.13684	1.0
413.36844	0.6
419.16922	0.9
421.15146	5.6
425.13898	0.5
492.25143	0.6
517.31396	1.3
537.21570	3.6
567.22418	14.7
568.22662	3.0
585.23303	2.7
586.23389	0.6
597.23395	0.9
613.22894	0.6
615.24579	9.0
616.25134	2.1
631.49615	0.5
679.37335	3.6
680.37561	0.8
733.28400	1.2
745.27997	0.6
763.30292	4.5
764.30396	1.0
793.30743	1.4
810.50116	2.9
811.33990	3.1
811.51447	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	811.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65424	0.4
59.01384	2.8
61.98832	100.0
69.59601	3.3
71.01388	1.8
83.01364	0.5
85.02962	0.6
88.98827	0.9
89.02474	0.6
93.03469	3.3
95.01420	0.9
95.05019	0.5
97.02985	0.5
101.02469	1.1
107.01421	0.6
108.02189	0.9
109.02950	1.1
113.02486	0.8
116.92870	0.6
119.05042	1.1
120.99705	0.5
121.02974	4.9
122.02879	0.6
122.03769	12.0
123.00882	1.1
123.04565	0.9
124.01669	1.0
125.02475	2.1
129.01814	0.4
132.02158	1.6
133.02956	2.1
134.03737	1.5
135.04501	0.9
136.01677	5.7
137.02469	3.3
138.03209	0.8
139.04019	0.9
145.02948	1.7
146.03777	1.8
147.04536	1.9
149.02466	22.1
149.06056	2.5
150.03246	70.9
151.00381	0.8
151.04047	20.9
152.04332	1.0
152.13109	0.4
153.01971	0.4
157.43179	0.4
160.01654	1.2
161.02464	1.2
161.06131	0.8
162.03212	1.7
163.04036	1.9
164.04819	5.9
165.01961	8.5
165.05586	67.2
166.02573	1.2
166.05910	4.2
167.03499	0.6
168.00632	0.5
169.01447	1.8
174.03175	0.6
175.03979	2.0
176.04732	0.5
177.01988	0.6
177.05531	2.5
178.06120	0.5
179.03540	2.9
179.07140	5.6
180.04298	10.9
181.05048	2.3
181.08784	0.4
188.04807	0.7
189.05537	1.0
190.06348	1.6
191.03598	0.9
191.07117	1.4
192.04211	0.4
193.05043	1.2
194.05821	2.2
195.06636	46.7
196.07079	2.7
197.08160	0.5
205.05048	0.9
205.08766	2.2
206.05864	0.8
207.06572	1.8
208.07367	0.8
209.08102	0.5
210.05280	0.9
211.09721	0.8
219.06590	0.4
223.09717	0.5
225.07632	4.6
242.09540	1.1
251.09108	0.4
257.11682	0.7
269.08206	0.8
270.08939	3.1
271.09665	0.5
277.73495	0.4
283.09665	0.6
284.06931	1.0
285.07935	0.5
285.11276	3.0
286.08411	1.1
295.09885	0.6
297.07397	0.6
298.08389	1.4
299.09280	2.4
300.09869	0.7
301.00040	0.9
301.10712	0.9
308.79047	0.5
310.08295	0.9
311.09250	1.6
312.09988	0.5
313.07346	0.7
313.10840	1.2
314.07925	3.7
315.08493	0.4
323.09329	0.6
324.10175	0.6
325.10809	1.6
326.07825	1.3
326.11472	0.8
327.08636	0.8
327.12210	0.7
328.09384	1.1
329.10257	8.7
330.10922	1.5
339.12354	0.5
341.10318	10.8
342.10669	2.1
343.11551	1.7
343.14172	2.3
344.08429	0.8
344.12622	14.5
345.13306	3.0
355.11874	0.8
356.12610	4.5
357.13144	1.7
358.14148	0.9
359.14996	25.0
360.15338	2.6
371.15012	17.8
372.15359	2.0
373.08258	0.7
373.12936	11.3
374.13452	1.5
375.14648	0.7
387.14468	0.6
388.15265	0.6
389.16074	6.6
390.16177	0.5
403.13809	0.5
421.15073	5.6
422.15195	0.5
455.31656	2.5
456.31821	0.6
466.02405	0.6
517.31787	3.6
518.32074	0.6
536.20502	0.6
537.21478	5.8
538.21069	0.7
551.18774	1.0
565.20526	0.4
567.22363	10.6
568.22760	1.6
585.23431	3.0
586.23901	0.8
597.23340	1.4
613.22833	1.5
614.23627	1.5
615.24579	4.1
616.24268	0.5
649.39410	1.0
669.25598	0.6
674.62323	0.5
715.27875	5.4
716.27673	1.2
733.28705	0.5
745.28918	2.6
746.28461	0.8
763.30035	3.6
764.29883	1.4
787.49835	0.4
793.30695	1.2
811.42676	7.2
812.41217	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	809.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.7
59.01381	100.0
60.99317	0.8
61.98833	15.2
63.61118	0.8
68.99829	0.7
69.03444	1.2
71.01392	12.1
71.05023	0.9
71.38844	1.6
72.99320	1.9
73.02953	3.9
75.00862	0.9
83.01401	2.2
83.05083	1.0
84.38145	0.7
85.02961	6.2
86.00113	0.9
87.00893	2.5
88.98822	1.1
89.02454	3.4
93.03484	3.2
93.73210	0.7
95.01408	2.0
95.05067	1.5
96.96025	2.2
97.06607	1.2
99.00887	1.5
99.04537	2.1
101.02473	7.5
108.02198	1.5
109.02980	2.0
110.96883	0.8
111.00938	1.1
112.01660	1.1
113.02452	4.9
116.92864	3.3
119.03551	0.9
121.03004	4.4
121.03699	0.8
122.03764	10.6
123.00869	1.4
123.04539	2.1
125.02505	3.9
125.26862	0.8
127.11306	1.0
133.02959	4.8
134.03743	1.5
135.04524	0.9
136.01701	2.6
137.02492	4.5
141.01958	0.8
143.03590	1.2
145.02989	1.6
146.03775	1.3
147.04613	1.7
149.01253	1.1
149.02460	24.3
149.06139	3.1
150.03253	77.7
151.00365	0.8
151.04010	6.1
153.01889	1.0
161.02477	1.0
161.04610	1.3
161.05984	1.2
163.04060	1.5
163.11288	0.9
164.04807	5.6
165.01968	5.9
165.05595	70.8
165.12846	2.0
166.02708	2.8
166.06151	5.7
167.07117	1.1
168.00700	0.9
169.01471	3.2
175.04091	1.0
177.01924	1.5
179.03510	1.5
179.07161	2.4
180.04311	9.2
181.05038	3.5
181.08699	5.8
191.07187	0.7
193.05023	0.7
194.05797	0.9
195.06639	20.0
201.11354	15.8
202.11803	1.0
205.08780	0.6
207.06635	1.0
207.13918	1.6
209.11850	11.5
210.12117	1.1
213.45308	0.7
225.07719	1.8
225.11382	0.7
225.14983	7.9
227.12909	41.5
228.13290	3.2
243.06609	0.9
251.09192	0.7
269.13989	2.7
271.06171	2.0
285.07501	1.1
287.14966	5.4
298.08316	0.8
299.05423	4.1
301.00043	1.9
301.03354	0.9
301.16867	0.9
314.07986	6.9
314.11456	1.5
315.08377	0.8
325.12912	3.3
326.13284	0.8
329.10294	7.7
329.13992	6.1
341.10394	1.2
343.14163	3.9
359.11411	2.1
387.14874	0.9
389.12216	1.2
397.13651	4.2
415.14325	1.1
447.18793	0.9
458.15912	0.8
473.18048	6.7
491.19241	8.8
492.19632	1.0
521.20313	2.1
533.20056	4.6
539.21521	4.2
553.21399	1.3
581.22498	6.4
612.28119	2.9
613.27295	1.0
666.16260	0.8
779.29749	2.6
780.28723	1.0
791.35455	6.5
792.35681	1.6
809.36365	88.2
809.47913	3.5
810.36688	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	809.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.7
61.98830	12.9
71.01386	2.3
71.01796	0.8
72.99349	0.5
73.02953	1.1
75.00903	0.4
85.02972	0.9
87.00862	0.5
88.98808	1.2
89.02465	0.8
93.03468	4.5
95.01435	0.6
95.05029	0.4
96.96059	0.7
97.06624	0.3
99.92590	0.9
101.02467	1.0
105.03525	0.4
108.02204	0.9
108.72084	0.3
109.02989	1.4
109.37212	0.3
111.19409	0.3
113.02489	0.7
116.92876	9.3
117.01984	0.4
117.92929	0.8
120.99691	0.3
121.02962	4.9
122.03763	14.5
123.00932	0.9
123.04510	1.0
124.01665	0.9
125.02473	1.5
131.03474	0.3
131.94891	0.3
133.02994	2.0
134.03761	1.2
135.04567	0.5
136.01669	3.8
137.02507	2.8
145.02942	0.3
146.03749	1.2
147.04535	0.7
149.02461	23.7
149.06129	1.4
150.03241	100.0
151.00374	1.8
151.03999	8.7
152.04776	0.6
159.04558	0.4
161.02419	0.5
162.03178	0.9
163.03983	0.8
164.04816	4.9
165.01950	1.7
165.05582	97.3
166.02754	4.8
166.05913	5.4
167.03450	0.7
169.01434	1.4
175.03946	0.3
176.01018	0.4
177.05565	0.9
179.03505	1.2
179.07167	5.3
180.04288	6.7
180.07643	0.4
181.05067	6.6
182.05510	0.3
184.03792	0.6
187.04005	0.5
190.06377	0.5
191.03526	0.6
191.07048	0.4
193.05052	0.4
195.06630	70.2
196.06987	3.6
205.05045	1.3
206.05847	0.3
209.08241	0.5
209.11827	1.1
219.06630	1.2
220.07431	0.6
225.07727	1.2
227.12903	0.7
235.09731	0.3
255.46414	0.3
267.21909	0.3
275.01932	0.5
300.99759	0.7
327.21829	0.3
329.10181	0.6
357.09671	0.4
357.13550	0.4
371.11441	0.3
372.12271	0.4
373.12766	0.7
387.14658	3.8
399.15646	0.3
402.13123	0.6
403.14075	0.8
416.14935	0.5
417.10092	0.4
417.15540	7.9
418.15802	1.2
421.14859	0.4
465.01852	1.0
465.52179	0.5
466.02518	0.5
473.33139	0.3
473.39261	0.4
535.17682	0.5
565.20801	11.4
566.21216	2.5
583.21674	0.6
595.22064	1.9
613.23047	3.4
614.23706	0.8
653.70819	0.4
657.35291	0.5
667.24133	0.4
713.25720	1.1
743.26575	0.6
761.27753	1.6
762.28986	0.7
791.29498	0.6
809.31219	1.6
809.47913	1.6
810.32758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.4
59.01381	2.6
61.98832	5.1
65.00320	0.3
71.01375	1.5
71.21028	0.2
71.71375	0.3
71.71809	0.5
73.02947	0.5
75.00922	0.3
83.01400	0.6
84.02185	0.3
85.02956	0.5
87.00918	0.3
88.98815	0.4
89.02467	0.5
89.06938	0.3
93.03458	4.0
93.03989	0.4
95.01434	0.6
96.96062	0.7
99.92587	0.3
101.02464	0.6
105.03463	0.5
107.05003	0.4
108.02198	1.1
109.02992	1.6
113.02485	0.7
116.92889	2.6
117.92912	0.5
119.05042	0.4
121.02971	7.3
122.03764	16.3
123.00906	0.8
123.04622	1.3
124.01688	0.9
125.02470	1.1
128.30858	0.2
132.02202	0.9
133.02963	2.3
134.03769	3.1
135.04527	0.9
136.01691	6.5
137.02475	5.6
138.03238	0.6
139.00372	0.5
139.04056	0.7
145.03011	0.7
146.03745	2.3
147.04544	1.0
149.02461	30.5
149.06071	3.5
150.03242	100.0
151.00453	1.8
151.04042	18.5
152.01178	0.7
152.04639	1.2
153.01991	0.7
153.05589	0.6
159.04544	0.5
161.02422	0.8
161.06099	0.9
162.03227	1.5
163.03992	0.9
164.04807	6.8
165.05583	93.2
166.02737	5.5
166.05922	4.7
167.03523	1.2
168.04259	0.3
169.01416	0.7
175.04024	0.6
176.04865	0.4
176.22913	0.2
177.01978	0.7
177.05551	2.4
178.02628	0.9
179.03551	1.3
179.07144	9.4
179.08757	0.4
180.04297	6.5
180.07475	0.5
181.05087	8.3
182.05394	0.7
183.13916	2.2
184.03752	0.5
184.14307	0.3
187.04025	1.0
190.06366	0.4
191.03517	0.5
192.04314	0.5
193.05023	1.3
194.05774	0.3
195.06631	50.1
196.06979	3.3
201.11328	0.2
202.06531	0.3
204.04247	0.4
205.05009	2.6
205.08640	0.3
206.05865	0.5
207.06580	0.6
209.11893	0.6
210.12173	0.3
219.06644	1.2
220.07425	1.5
221.08162	0.4
225.07730	0.7
227.12918	0.7
282.05542	0.4
300.99976	0.3
301.16486	1.0
302.16953	0.4
315.08688	0.5
329.10287	0.9
341.10114	0.5
355.11749	0.5
357.13412	0.6
363.12793	0.3
371.11261	0.6
372.12024	0.5
373.12869	0.8
387.10626	0.7
387.14871	2.9
402.13086	0.8
403.13788	0.8
416.14676	0.7
417.15552	9.4
418.15915	1.2
465.01660	0.5
471.16608	0.5
489.16058	0.3
535.17645	0.5
549.17621	0.4
550.17975	0.8
551.18945	0.5
564.20001	2.1
565.20807	19.2
566.21112	3.4
577.20117	0.4
581.20190	0.3
583.21960	0.4
595.21722	2.3
596.21667	0.9
613.23132	5.2
614.23523	1.4
619.22137	1.4
620.22498	0.3
667.23676	0.7
713.26282	7.3
714.26550	2.2
725.25464	0.6
743.27100	3.5
744.27124	1.2
749.20538	0.3
761.28217	2.7
762.27997	0.7
773.27881	1.0
791.29279	1.1
792.29169	0.3
809.29443	2.9
809.47900	0.8
810.29987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
59.01388	2.8
68.99800	0.4
69.03454	0.3
70.18671	1.6
71.01389	3.3
72.99315	0.6
73.02962	0.6
75.00889	1.2
81.03477	0.8
83.01394	0.6
85.02964	2.7
87.00893	0.7
89.02477	2.0
93.03471	0.9
95.01415	1.6
97.02943	0.4
99.00909	1.0
99.92645	0.3
101.02478	1.5
107.05048	0.6
108.02193	67.8
109.03008	14.4
109.03617	0.2
109.03762	0.5
109.06612	0.6
110.03330	0.8
113.02469	2.7
119.03495	0.3
121.02975	7.2
122.02514	7.3
122.03320	0.8
123.00915	1.4
123.04546	1.3
125.02460	2.3
127.07707	2.2
129.01971	0.3
133.02994	0.8
134.03709	0.3
135.00920	0.3
135.04523	0.8
136.03943	0.3
137.02505	0.8
145.02942	0.4
149.02463	0.3
151.00389	1.3
151.04042	2.3
152.01178	48.3
153.01970	21.6
154.02328	0.9
161.02460	0.7
163.04073	2.1
165.01929	1.5
167.00000	0.3
167.03546	0.3
169.01434	1.7
175.02652	0.3
175.04005	0.3
177.01788	0.4
179.03603	0.4
179.79739	0.3
181.05127	0.3
185.04787	0.4
186.05597	2.6
190.75822	0.3
191.05621	0.7
206.08305	0.3
207.02821	0.3
214.05133	1.3
229.01515	0.3
243.03004	0.3
249.03934	0.6
249.06163	3.2
250.06503	0.6
267.10880	0.4
275.02011	0.6
276.06409	0.3
283.05154	0.3
297.06079	0.7
300.99780	1.6
313.05713	0.5
341.05170	0.5
371.09836	10.1
372.10272	3.0
377.18161	2.2
420.09366	100.0
421.09760	11.3
421.16629	11.9
435.09351	2.4
494.06879	0.4
701.75061	0.3
807.20721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01383	2.2
61.98832	16.4
62.85286	0.4
63.99238	0.4
69.03407	0.4
71.01378	1.2
78.95898	1.3
79.73242	0.4
79.95747	0.7
80.96525	4.3
83.05039	0.4
85.13376	0.4
89.02472	0.6
94.98103	0.8
95.05018	1.0
96.33961	0.4
97.06613	0.6
101.02442	0.7
104.14714	0.3
109.06590	0.8
111.08171	8.1
118.19060	0.4
125.02413	0.6
137.09732	0.9
141.09224	0.4
152.98495	0.5
152.99626	0.6
164.98686	0.5
167.10785	1.5
171.10376	0.7
177.12852	1.6
179.10757	2.1
195.13904	5.0
203.14540	0.4
205.12135	0.4
209.11751	0.4
223.13538	0.6
225.00752	1.1
247.20691	2.2
253.09258	1.0
273.18585	1.3
277.21704	4.6
278.22095	0.5
291.19638	100.0
292.20007	10.8
296.75018	0.4
300.99573	0.4
379.46936	0.4
385.25797	0.4
451.02548	1.0
451.52322	0.6
805.40619	4.1
806.41321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
57.70485	0.4
58.00591	1.1
59.01382	16.6
61.98835	16.4
63.99266	0.6
69.03450	1.2
71.01387	14.3
71.73997	0.5
72.99311	1.9
73.02950	2.0
74.77185	0.4
75.00887	0.5
78.95927	0.8
80.02692	1.4
81.03464	2.0
83.01388	1.9
83.05031	5.6
84.02176	1.0
85.02966	3.1
87.00892	3.6
88.98819	1.0
89.01897	0.7
89.02456	13.4
95.01387	0.8
95.05045	1.3
96.96024	3.1
97.02967	2.4
97.06589	0.7
99.00900	1.2
99.92576	0.4
101.01777	0.6
101.02453	10.6
102.02793	0.4
107.01412	0.7
109.02975	0.7
109.06640	0.4
111.00900	0.4
111.04517	0.5
113.02467	6.4
114.93470	0.5
116.92877	1.9
119.03526	3.5
119.05046	0.4
120.03887	0.4
121.02975	0.7
123.00914	0.5
123.08125	0.4
125.02470	5.6
125.06109	0.5
125.09756	0.6
127.04076	0.4
127.11306	0.4
131.03500	0.9
135.08127	0.5
136.01741	0.5
137.02441	0.6
141.01955	0.4
143.03542	2.6
145.02945	1.8
145.04933	0.3
146.03297	1.1
150.03252	0.6
151.04010	0.3
153.12898	0.9
161.04576	3.6
163.11314	4.0
165.05576	0.5
165.12822	2.7
167.03534	0.4
169.01410	1.0
169.12373	4.6
171.10265	1.3
171.71338	0.4
173.04573	0.4
179.05634	3.6
179.10822	0.5
181.05124	0.4
181.12370	0.8
183.13914	0.5
191.10696	1.2
195.06598	0.5
197.11844	71.9
198.12184	4.1
199.06108	0.4
199.13434	0.4
201.11334	1.4
201.34727	0.4
207.10382	0.5
209.11841	100.0
210.12186	6.7
211.13412	0.7
217.07089	0.7
221.06636	1.1
223.13388	0.4
225.11278	0.4
227.12892	15.8
228.13193	0.7
235.08241	3.9
235.13329	0.4
251.12790	0.8
253.09305	0.7
259.08160	0.4
263.07776	0.7
285.03961	2.0
286.04355	1.5
287.04514	1.0
287.07739	1.4
288.04868	0.6
299.99014	0.4
300.99933	0.8
305.08890	1.6
323.09833	1.1
327.21756	0.5
361.11746	0.3
363.78061	0.3
379.12476	6.7
380.12695	0.5
397.13513	33.7
398.13947	2.9
415.14590	7.7
415.19272	0.3
453.11398	0.4
455.12878	0.5
575.05334	0.4
577.24829	1.2
589.24756	0.9
595.26038	1.7
607.26379	2.1
742.17694	1.1
769.37305	0.9
787.37897	0.8
805.45306	1.6
806.45483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37952	0.8
57.03442	1.1
59.01378	3.7
59.02837	0.7
61.37440	0.6
61.98833	100.0
62.98531	1.2
62.99259	1.2
63.99259	11.5
69.03451	0.9
70.60845	0.7
71.01385	8.1
71.72897	0.6
73.02939	1.0
74.33426	0.6
75.00880	0.8
78.95906	4.4
78.98614	1.2
79.95751	4.3
80.96528	17.1
81.03459	1.0
82.96114	1.0
83.01407	1.2
83.05025	1.2
85.02970	2.1
87.00892	1.6
88.98830	2.1
89.02458	2.9
94.98136	3.6
95.01425	0.9
95.05095	0.7
97.02970	2.3
97.06636	1.0
99.00912	1.7
101.02468	3.8
109.06609	8.2
111.04504	1.4
113.02481	2.5
116.92896	0.8
121.06657	1.3
122.97596	1.0
123.04545	1.1
125.02487	0.9
125.09766	2.4
134.97548	0.9
135.08247	1.3
148.99164	1.2
151.11401	1.1
152.98659	1.6
152.99736	1.0
161.04623	1.5
161.09804	1.7
162.57927	0.7
163.11272	4.6
164.98686	2.6
165.12965	1.0
171.10301	5.3
177.09317	0.9
179.10796	1.5
181.12424	2.3
183.13925	1.3
185.11931	2.7
191.14468	1.2
195.06003	0.7
197.11858	4.4
199.09850	1.4
205.08745	3.4
207.10287	25.8
208.10709	1.5
209.11839	9.4
209.55988	0.7
211.13475	2.2
213.11340	0.8
223.09775	5.7
225.00743	5.4
225.11336	15.3
225.14856	0.7
226.11636	1.0
227.13000	1.2
235.08293	2.6
243.12343	0.8
245.19209	2.0
253.09274	7.1
289.18063	13.4
291.19675	3.5
293.21457	0.7
307.19165	13.6
307.22409	1.0
308.19348	0.8
309.20682	10.2
310.21222	1.5
311.22327	0.9
363.11728	0.8
399.21603	1.1
443.19193	0.9
459.18829	1.5
461.20380	3.7
479.28030	0.9
515.30719	0.8
635.31671	1.0
751.39490	5.4
752.40009	1.2
769.41644	2.7
805.40094	22.1
806.40613	4.2
837.94788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07945	0.1
61.98832	100.0
62.98541	0.2
63.99265	0.3
69.52010	0.6
71.01392	0.2
78.95922	1.0
79.95753	0.3
80.96521	0.8
94.98113	0.2
96.96994	0.2
152.99663	0.2
164.98685	0.2
209.11894	0.6
210.12201	0.2
211.13455	0.1
225.00740	0.2
241.01218	0.4
277.21793	0.3
278.22256	0.2
279.23395	0.1
384.31635	0.1
437.97403	0.1
734.40906	0.1
804.40326	1.4
805.40546	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.9
61.98831	4.1
67.01899	1.2
69.03474	0.4
69.58051	3.4
71.01395	2.3
72.99303	0.4
73.02947	0.5
78.95850	0.4
81.03448	0.5
83.01392	0.4
85.02977	1.1
87.00908	1.0
88.98810	1.3
89.02456	1.3
93.03490	1.1
95.01414	0.7
96.96015	3.2
101.02472	1.1
107.05041	1.1
108.02193	0.6
109.02962	4.4
111.00898	0.8
112.77312	0.4
113.02445	0.5
115.00382	0.6
116.92864	1.6
117.03480	0.4
119.05080	0.5
119.28757	0.4
121.02958	1.1
123.00915	2.8
123.04573	0.9
124.01670	1.1
125.02477	2.3
131.04813	0.6
132.03064	1.1
133.02963	0.8
135.00919	0.6
135.04556	1.0
136.01671	2.1
137.02464	24.0
138.02930	0.8
139.00377	0.9
139.04024	0.8
145.02962	0.6
147.04495	0.6
148.01691	0.5
149.02414	1.8
150.03221	2.2
151.00392	12.0
151.04013	5.3
152.01198	2.1
152.04781	2.3
153.01952	1.4
153.05618	0.7
159.04567	0.8
160.75732	0.4
161.02483	0.8
162.03200	0.6
163.00371	0.5
163.04060	1.1
164.01151	2.1
164.04773	0.8
165.01945	100.0
165.05589	4.6
166.02727	33.3
167.03450	3.6
168.00615	0.8
169.01411	1.7
173.02448	0.8
175.03983	2.1
176.01140	0.7
176.04854	0.5
177.01944	2.8
177.05597	1.4
178.02673	0.7
179.03508	22.5
179.07130	1.3
180.04295	60.6
181.05074	41.2
182.05490	2.1
184.03790	1.4
187.03979	2.1
189.05556	0.5
190.02753	0.8
190.06375	1.0
191.03450	2.1
191.05522	0.6
192.04286	1.3
193.05042	1.6
194.05901	3.7
195.03062	3.3
195.06633	83.8
196.03224	0.5
196.06979	4.2
196.18620	0.4
202.06427	0.9
203.03586	0.7
205.05081	5.2
205.08679	0.5
206.05666	1.2
207.06567	2.4
209.08160	0.6
210.05350	13.7
211.02458	0.8
211.05696	0.8
219.06487	1.0
220.07401	4.6
221.08063	0.7
225.07683	66.5
226.08038	4.3
238.64424	0.4
300.02551	0.5
300.99826	1.1
313.03690	0.7
315.05087	1.0
341.10223	0.6
345.09772	0.9
351.96829	0.4
359.11252	1.8
371.11313	1.1
372.12076	1.2
385.12900	0.8
386.13593	1.1
387.10663	5.8
387.14624	5.3
388.10965	0.8
402.13144	4.0
403.13794	2.4
416.14807	2.8
417.15540	47.8
418.15881	7.0
550.18420	0.8
565.16980	2.4
580.19482	1.4
595.21857	47.8
596.22198	9.1
613.22772	0.9
614.23425	0.8
625.22638	1.1
643.24054	34.6
644.24451	7.6
805.26202	0.9
805.40436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55284	0.5
57.03442	2.2
58.00581	0.6
59.01379	10.3
60.28711	0.5
61.98829	16.6
68.99805	0.5
69.03449	1.4
71.01384	17.3
71.05003	0.6
71.53645	0.8
72.99325	1.0
73.02948	2.4
75.00867	0.7
78.95930	1.0
78.98580	0.6
79.95742	3.9
80.02681	1.4
80.96519	10.9
81.03475	2.7
83.01379	2.2
83.05027	6.8
84.02178	1.5
85.02953	4.2
87.00881	3.8
88.75588	0.4
88.98787	0.9
89.02454	5.2
93.03484	0.6
94.98059	2.4
95.01416	1.2
95.05025	1.7
96.96001	1.8
97.02969	4.0
97.06602	2.9
99.00919	2.4
99.04544	0.6
101.02451	7.1
109.06596	4.8
111.08160	1.6
113.02457	4.8
116.92878	1.2
119.03498	1.5
119.08659	0.9
121.06585	0.6
123.04524	1.7
123.08164	1.2
125.02473	1.8
125.06069	0.8
125.09735	6.2
127.11331	0.6
134.97641	0.5
135.08165	1.7
137.09744	2.1
141.12885	0.7
143.03508	1.1
145.05075	1.4
147.11813	0.7
148.99162	1.1
151.11302	1.4
152.98659	1.2
161.04555	3.5
161.09727	0.9
163.11310	10.1
164.11635	0.7
164.98653	1.9
165.09247	0.9
165.12868	5.7
167.10811	1.4
169.12349	1.4
171.10278	26.1
172.10629	1.4
179.05641	1.1
179.10773	1.5
179.14378	0.6
181.12363	3.9
183.13896	0.6
185.11847	6.3
191.10777	1.3
191.14424	2.4
193.12364	1.3
197.11838	5.2
199.09801	1.2
199.13358	1.0
200.13486	0.5
201.11324	9.0
202.11707	0.6
207.10258	13.4
207.13568	0.5
208.10547	0.8
209.11833	100.0
210.12170	5.9
211.13399	10.2
215.12897	2.4
223.13377	0.8
225.00789	4.0
225.11311	22.4
226.11703	2.3
227.12904	13.0
228.13246	1.1
235.08221	3.7
237.11166	0.7
243.12340	2.4
245.19083	5.0
247.20651	1.0
253.09262	17.0
254.09586	0.8
263.20154	1.5
285.04001	0.9
289.18073	18.8
290.18387	1.8
291.19653	17.1
292.20056	2.1
295.10480	0.8
307.19113	16.0
308.19391	1.3
309.20706	31.1
310.20978	3.2
311.22455	0.6
341.23682	0.7
397.13528	1.3
443.19406	0.9
445.21094	0.9
461.20346	3.7
479.20950	0.6
547.29346	0.5
584.85382	0.5
626.75671	0.6
687.32574	1.0
709.95740	0.6
753.40906	2.1
771.42145	1.1
803.38977	13.2
804.38831	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	803.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.4
58.00594	1.3
59.01380	16.1
61.98832	100.0
62.19385	0.6
63.63005	0.7
69.03469	2.6
71.01386	42.0
71.05034	1.1
71.68153	0.8
71.68539	0.8
72.01713	1.1
72.99311	1.8
73.02964	4.2
75.00875	2.1
76.51328	0.8
78.95899	2.6
79.95726	1.0
80.96532	2.4
81.03475	2.9
83.01392	4.0
83.05040	4.5
84.02190	2.0
85.02975	6.6
87.00875	5.1
88.98807	1.8
89.02457	11.5
93.03477	1.2
95.01402	1.9
95.05043	1.1
96.96032	4.1
97.02969	2.9
97.06596	5.0
99.00901	3.0
101.02455	13.3
109.02950	1.1
109.06609	5.5
111.00900	1.6
111.08156	1.1
111.46948	0.7
113.02455	6.8
116.92861	2.9
117.03492	3.9
119.03533	2.6
119.04997	1.1
123.00883	1.2
125.02469	3.4
125.09742	6.9
127.11300	1.1
128.90167	0.9
135.08157	1.8
137.02414	1.2
137.09709	0.9
139.22066	0.8
143.03535	1.5
143.05003	0.9
145.02963	8.7
145.05037	1.0
146.03314	1.7
151.00380	0.8
153.01860	0.7
153.09395	0.8
161.04576	4.1
161.09755	1.2
163.04004	0.9
163.11293	7.4
165.09166	0.9
165.12811	2.2
167.10875	1.1
169.01492	1.0
169.12314	1.6
171.10291	29.9
172.10606	1.2
179.04034	0.7
179.05617	2.6
179.10799	0.8
181.12340	1.9
183.13910	5.0
185.11816	2.2
189.09224	1.3
191.10822	2.9
193.12335	8.8
194.12708	1.1
197.11847	7.5
198.12199	1.1
199.04124	0.9
199.13553	1.0
201.11295	8.3
207.10252	17.0
208.10611	1.0
209.11838	40.6
210.12244	4.2
211.13408	72.9
212.13716	5.5
215.12843	1.2
223.13550	1.2
225.11327	20.1
225.14890	10.0
226.11897	3.3
227.03514	3.4
227.12907	4.5
228.03978	1.0
229.05069	2.4
235.08241	6.5
241.14462	18.0
242.14848	1.1
243.16002	4.6
253.09282	14.1
253.14537	1.4
254.09547	0.9
255.02939	7.6
256.03442	2.8
257.04480	1.3
283.02487	1.9
284.03229	5.6
285.04013	22.2
286.04401	7.7
287.04565	1.5
289.18033	1.2
291.19641	1.2
309.20523	1.0
321.20740	2.9
323.21964	1.0
325.30579	0.9
341.23334	58.6
342.23743	6.1
343.25031	1.4
379.12497	3.2
397.08371	0.8
397.13489	16.1
398.13870	1.1
415.14532	3.0
461.20306	3.4
495.33557	1.2
577.32025	1.0
591.26733	2.1
609.28192	4.7
668.35785	1.0
705.32928	0.8
735.38379	0.9
771.41290	2.2
785.41644	3.7
786.44104	1.8
803.44501	10.7
804.44360	2.5
805.35425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.4
58.00594	1.3
59.01380	16.1
61.98832	100.0
62.19385	0.6
63.63005	0.7
69.03469	2.6
71.01386	42.0
71.05034	1.1
71.68153	0.8
71.68539	0.8
72.01713	1.1
72.99311	1.8
73.02964	4.2
75.00875	2.1
76.51328	0.8
78.95899	2.6
79.95726	1.0
80.96532	2.4
81.03475	2.9
83.01392	4.0
83.05040	4.5
84.02190	2.0
85.02975	6.6
87.00875	5.1
88.98807	1.8
89.02457	11.5
93.03477	1.2
95.01402	1.9
95.05043	1.1
96.96032	4.1
97.02969	2.9
97.06596	5.0
99.00901	3.0
101.02455	13.3
109.02950	1.1
109.06609	5.5
111.00900	1.6
111.08156	1.1
111.46948	0.7
113.02455	6.8
116.92861	2.9
117.03492	3.9
119.03533	2.6
119.04997	1.1
123.00883	1.2
125.02469	3.4
125.09742	6.9
127.11300	1.1
128.90167	0.9
135.08157	1.8
137.02414	1.2
137.09709	0.9
139.22066	0.8
143.03535	1.5
143.05003	0.9
145.02963	8.7
145.05037	1.0
146.03314	1.7
151.00380	0.8
153.01860	0.7
153.09395	0.8
161.04576	4.1
161.09755	1.2
163.04004	0.9
163.11293	7.4
165.09166	0.9
165.12811	2.2
167.10875	1.1
169.01492	1.0
169.12314	1.6
171.10291	29.9
172.10606	1.2
179.04034	0.7
179.05617	2.6
179.10799	0.8
181.12340	1.9
183.13910	5.0
185.11816	2.2
189.09224	1.3
191.10822	2.9
193.12335	8.8
194.12708	1.1
197.11847	7.5
198.12199	1.1
199.04124	0.9
199.13553	1.0
201.11295	8.3
207.10252	17.0
208.10611	1.0
209.11838	40.6
210.12244	4.2
211.13408	72.9
212.13716	5.5
215.12843	1.2
223.13550	1.2
225.11327	20.1
225.14890	10.0
226.11897	3.3
227.03514	3.4
227.12907	4.5
228.03978	1.0
229.05069	2.4
235.08241	6.5
241.14462	18.0
242.14848	1.1
243.16002	4.6
253.09282	14.1
253.14537	1.4
254.09547	0.9
255.02939	7.6
256.03442	2.8
257.04480	1.3
283.02487	1.9
284.03229	5.6
285.04013	22.2
286.04401	7.7
287.04565	1.5
289.18033	1.2
291.19641	1.2
309.20523	1.0
321.20740	2.9
323.21964	1.0
325.30579	0.9
341.23334	58.6
342.23743	6.1
343.25031	1.4
379.12497	3.2
397.08371	0.8
397.13489	16.1
398.13870	1.1
415.14532	3.0
461.20306	3.4
495.33557	1.2
577.32025	1.0
591.26733	2.1
609.28192	4.7
668.35785	1.0
705.32928	0.8
735.38379	0.9
771.41290	2.2
785.41644	3.7
786.44104	1.8
803.44501	10.7
804.44360	2.5
805.35425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
57.66049	0.2
58.00593	0.7
59.01382	10.1
61.98830	4.0
69.03462	1.0
71.01387	9.8
71.75438	0.3
72.01728	0.2
72.99309	0.8
73.02968	1.1
75.00883	0.4
78.95889	0.5
80.71610	0.2
80.87141	0.2
81.03464	0.5
83.01389	0.9
83.05054	0.5
85.02476	0.3
85.02961	2.5
87.00879	2.5
88.98843	0.3
89.02455	7.5
93.03463	0.2
94.15036	0.2
95.01414	0.8
95.05045	0.3
96.96029	0.6
97.02952	1.5
97.06583	0.3
99.00891	0.4
101.02459	7.8
102.02816	0.2
106.43082	0.2
107.05717	0.2
109.02901	0.3
111.00898	0.4
113.02466	4.2
116.92876	0.5
119.03529	2.1
121.02908	0.3
123.00925	0.2
125.02453	3.6
125.43155	0.2
131.03508	0.6
133.01563	0.2
137.02477	0.3
137.09804	0.2
139.04042	0.4
141.01871	0.3
143.03523	1.2
145.05179	0.3
149.04584	0.3
151.04028	0.2
154.95135	0.2
161.04572	2.3
163.11398	0.3
165.12729	0.3
167.03517	0.4
167.10844	0.2
167.14474	0.7
169.01389	0.3
169.05179	0.3
169.12343	0.3
171.10255	0.8
179.05611	2.5
181.12308	0.3
183.13914	7.4
183.15547	0.4
184.14226	0.2
188.02477	0.2
193.12372	2.4
197.11838	0.2
199.06100	0.2
207.10262	0.4
209.11809	2.0
211.13406	100.0
212.13737	5.7
217.07175	0.4
221.06668	0.7
225.11354	0.7
227.12964	0.4
235.08206	2.6
235.10326	0.3
253.09300	0.7
259.08228	0.3
263.07672	0.3
287.04840	0.2
287.07724	0.8
305.08768	0.7
323.09900	0.6
325.20221	0.4
341.23438	0.6
379.12448	3.9
380.12674	0.2
397.13510	20.4
398.13715	1.4
405.26532	0.5
415.14606	4.1
415.19479	0.2
416.15549	0.2
447.22202	0.2
591.26654	5.3
592.27057	0.8
609.27777	5.8
610.28131	0.8
785.39905	1.6
786.39874	0.3
803.41559	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	803.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.1
59.01382	4.9
61.98832	36.2
63.96250	1.8
63.99240	0.7
66.14614	0.5
69.03448	1.5
71.01387	25.4
71.72935	0.8
72.99318	1.0
73.02948	2.4
75.00876	1.0
76.25494	0.5
78.95904	2.1
78.98598	5.8
79.95743	34.9
80.96524	80.2
81.03465	1.4
83.01415	1.4
83.05056	2.5
85.02956	4.0
87.00896	5.0
88.98792	0.6
89.02451	1.9
94.98100	17.2
95.01423	0.7
96.96036	1.8
97.02949	4.0
97.06583	1.6
99.00877	1.9
99.04572	0.7
101.02445	5.8
106.98102	4.2
109.06609	3.0
111.08174	1.4
113.02449	2.3
116.92796	1.0
119.03506	0.7
122.97618	3.8
125.01253	0.4
125.01658	0.7
125.02451	4.1
125.09737	2.0
127.04014	1.2
134.97607	6.1
135.48889	0.5
136.99142	2.1
137.20906	0.5
145.05132	0.8
148.99171	6.8
152.98645	6.4
152.99730	0.9
161.04582	2.3
163.11322	4.0
164.98662	14.2
165.12825	1.5
169.12309	1.7
171.10284	7.1
179.10735	0.8
181.12328	2.1
183.13857	0.8
185.11951	0.9
193.12424	0.6
197.11836	8.5
199.09775	0.8
199.13399	1.5
201.11328	2.5
206.99673	4.5
207.10254	9.2
209.11833	25.2
210.12160	1.8
211.13373	7.8
220.93819	0.5
225.00731	27.1
225.11322	8.9
226.00989	1.2
226.11530	0.6
227.12906	4.1
235.08273	1.3
240.00172	0.6
243.12334	0.9
245.18988	0.7
253.09276	6.5
263.20126	0.7
273.04453	0.6
283.04865	3.6
285.04007	0.7
289.18027	1.7
291.19620	5.0
292.20160	0.8
307.19055	2.2
309.20721	9.8
310.21118	1.1
311.22296	1.3
341.05389	2.0
341.23471	0.7
355.06931	1.1
397.13327	1.3
410.26834	0.6
461.20340	1.5
491.37555	0.7
509.17218	2.7
575.25171	0.9
581.18994	1.4
609.21564	0.6
623.23767	0.7
665.28790	1.0
678.74249	0.7
687.31989	0.7
705.32880	0.6
730.43817	0.8
753.40643	1.7
771.41534	1.6
803.39105	100.0
804.39398	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	802.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
61.98832	100.0
62.98534	0.2
62.99267	0.1
64.65427	0.1
70.00311	0.3
80.96516	0.4
84.51862	0.1
84.52373	0.1
94.98111	0.1
98.20558	0.1
152.98615	0.1
183.13898	0.1
211.13402	0.3
212.13817	0.2
213.13890	0.1
225.00700	0.1
255.23280	0.1
277.21793	0.2
278.22189	0.2
279.22531	0.1
298.22903	0.1
330.45901	0.1
765.59613	0.1
803.42456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
59.01383	53.1
59.83994	0.3
60.01722	0.5
60.99300	0.7
61.98836	13.6
65.27023	0.3
67.01910	0.3
68.94174	0.3
69.03478	0.6
71.01390	7.6
71.74156	0.5
72.99296	0.4
73.02957	8.4
73.31707	0.3
74.03322	0.5
75.00851	0.4
78.95942	0.5
81.03493	0.6
83.01400	12.1
83.05000	0.4
85.02975	1.7
87.00919	0.8
88.98820	1.5
93.03476	0.8
95.01410	0.8
95.05038	0.7
96.96020	1.9
97.02984	0.6
97.06622	1.9
99.00922	0.4
99.04536	1.6
101.02458	5.0
102.05669	0.4
105.03487	0.3
108.02211	1.3
109.02973	6.9
109.03665	0.5
109.06599	0.8
111.00912	1.0
113.02464	1.9
116.92874	1.7
117.01991	0.3
119.03535	0.4
119.05053	0.7
121.02980	7.8
121.06583	0.5
122.03816	0.4
123.00916	1.9
123.04530	0.9
124.01704	1.5
125.02481	2.3
128.03574	0.8
131.05006	0.7
132.05803	0.4
133.02980	0.4
135.04572	0.5
136.01691	13.4
137.02487	9.2
143.03490	0.3
145.02988	7.7
146.03656	0.8
146.04689	0.8
147.04539	1.8
149.02458	3.1
149.09720	0.6
150.03239	0.9
151.04036	16.7
152.04390	0.6
158.03754	0.8
159.04544	5.6
160.05327	11.8
161.02489	0.8
161.06107	11.1
162.06436	0.6
163.00357	0.5
163.04041	0.7
165.01926	0.7
165.05585	0.4
165.12869	1.5
167.10812	2.8
169.01442	1.3
173.06104	0.5
174.03252	0.8
175.02495	0.6
175.04025	9.3
175.05473	0.7
175.07620	0.4
176.04671	0.9
179.03488	0.6
187.04021	1.2
188.04799	0.7
189.01950	0.4
189.05592	3.2
189.12904	0.5
191.03409	0.6
193.01396	2.2
194.02141	0.6
195.06680	0.4
197.11823	0.4
203.03493	0.4
205.05098	0.4
207.03047	0.8
207.13963	1.9
208.03757	1.5
209.11853	5.5
210.12126	0.6
211.13348	0.8
223.13493	0.7
225.11368	0.4
225.14975	4.8
227.12912	21.8
228.13289	1.4
233.11765	1.9
239.07147	1.1
245.00903	0.4
250.06328	0.4
251.07372	0.4
251.12914	2.2
252.13150	0.3
253.08775	1.1
266.05765	0.7
267.06613	9.5
268.07236	2.9
269.07980	0.5
269.13980	5.2
275.01880	0.8
281.08224	1.5
282.05515	0.6
282.08914	4.0
283.09607	2.1
287.15027	11.1
288.15283	0.6
293.13962	0.5
297.07700	8.2
297.11328	4.2
298.08258	0.4
298.11795	0.7
299.18414	0.3
300.99918	1.2
311.09311	1.6
311.14981	0.8
312.10043	13.1
313.10507	2.2
327.08789	0.5
327.12421	1.4
327.21805	0.4
329.16193	0.6
341.10400	1.5
342.10812	0.4
353.16000	0.6
356.09027	27.6
357.09567	4.3
371.11380	100.0
372.11710	10.4
389.12476	0.5
401.43573	0.3
410.52722	0.3
413.18286	0.6
431.19281	5.5
432.19815	0.5
449.39606	0.3
450.01758	0.4
465.02084	0.7
465.52005	0.7
515.15833	2.3
519.14642	0.5
533.16577	9.0
534.17108	1.4
540.35156	0.3
575.17737	9.0
576.17981	1.5
641.26086	0.4
757.69672	0.4
785.30365	7.4
786.30841	1.3
787.22162	0.3
803.31335	55.0
804.31659	14.6
804.45905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98540	0.2
62.99252	0.1
71.01392	0.2
71.01917	0.1
79.95729	0.1
80.96519	0.7
87.00926	0.1
94.98083	0.1
101.02434	0.1
117.43774	0.1
125.02500	0.1
134.97554	0.1
152.98662	0.1
154.27226	0.0
164.98656	0.1
171.10361	0.1
197.11960	0.1
209.11945	0.1
211.13431	0.2
225.00845	0.2
243.55341	0.0
390.07269	0.1
576.88312	0.1
802.50293	0.1
803.38977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.1
61.98832	100.0
62.98539	0.3
63.99264	0.3
71.01397	0.2
73.30638	0.1
78.95945	0.2
79.95763	0.1
80.96528	0.6
85.02969	0.1
87.00919	0.1
87.39660	0.1
94.98112	0.1
98.19830	0.2
101.02457	0.1
115.95668	0.1
116.92921	0.2
125.02443	0.1
148.99286	0.1
164.98576	0.1
167.03473	0.1
197.11818	0.2
209.11938	0.2
211.13426	0.5
212.13785	0.2
213.14027	0.1
225.00740	0.1
277.21857	0.2
283.53046	0.1
291.19724	0.1
309.20648	0.1
310.20999	0.1
311.21338	0.1
415.27911	0.1
728.42664	0.1
802.37213	0.4
803.39825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69928	0.1
61.98832	100.0
62.98532	0.1
69.39905	0.8
78.95930	0.2
79.95747	0.6
80.96519	1.0
87.06506	0.1
94.98097	0.2
96.96054	0.1
101.02479	0.1
104.72305	0.1
106.98151	0.1
152.98564	0.1
154.00507	0.1
164.98674	0.1
171.10280	0.1
206.99525	0.1
207.10477	0.1
209.11780	0.3
211.13629	0.1
225.00740	0.2
225.11386	0.1
228.95970	0.1
235.64650	0.1
263.20303	0.1
265.73795	0.1
267.64294	0.1
277.21695	0.3
278.22134	0.1
285.47873	0.1
657.21533	0.1
735.34467	0.1
785.38116	0.5
803.39178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.1
61.98830	100.0
62.98539	0.2
69.44860	0.3
69.45293	0.2
71.01394	0.2
78.95927	0.1
79.95737	0.1
80.96523	0.5
83.05038	0.0
85.02985	0.0
87.00902	0.1
94.98119	0.1
101.02466	0.1
126.90488	0.1
152.98628	0.1
163.11246	0.1
164.98730	0.1
209.11810	0.3
210.12276	0.1
211.13509	0.3
225.00801	0.2
231.96317	0.0
248.11740	0.0
253.09225	0.1
283.05661	0.0
293.21262	0.1
345.02307	0.0
533.31543	0.0
728.42096	0.1
802.36804	0.3
802.51654	0.1
803.39117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91592	0.1
59.01397	0.1
61.98833	100.0
62.98541	0.2
62.99261	0.1
71.01398	0.1
71.02760	0.1
78.95934	0.2
79.95744	0.8
80.96523	1.1
85.02984	0.1
94.98109	0.1
96.96017	0.3
101.02531	0.1
164.98634	0.1
168.69923	0.0
171.10229	0.1
206.99777	0.1
207.10359	0.1
209.11926	0.2
211.13432	0.1
225.00780	0.2
227.12880	0.1
277.21713	0.3
278.22202	0.1
279.23346	0.1
293.21222	0.1
295.22757	0.1
378.43732	0.1
659.31708	0.1
739.42950	0.1
785.38025	0.3
802.42816	0.1
803.39227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98539	0.2
67.41623	0.1
71.01395	0.1
73.64789	0.1
78.33058	0.1
78.91931	0.1
78.95931	0.2
78.98622	0.1
79.95734	0.5
80.96513	0.6
82.96080	0.1
84.33895	0.1
94.98087	0.1
96.96036	0.1
103.92076	0.1
153.70851	0.1
181.12341	0.1
207.10339	0.1
209.11911	0.1
210.12244	0.1
225.00682	0.1
229.82391	0.1
257.03040	0.1
277.21808	0.2
311.22540	0.1
590.18890	0.1
752.20111	0.1
767.90009	0.1
785.38580	0.2
802.43317	0.2
803.39264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.2
61.93153	0.3
61.98833	100.0
62.98536	0.4
63.02401	0.9
63.53695	0.2
65.00343	0.8
66.58645	0.3
69.03449	0.5
71.01383	3.5
71.75778	0.4
72.38038	0.3
72.99314	0.4
73.02956	0.7
78.95901	0.3
80.91714	0.5
81.03441	0.3
83.01398	1.1
85.02956	0.7
87.00900	0.9
88.98841	0.5
89.02453	1.7
93.03443	1.8
95.01402	0.6
96.96021	1.5
97.03012	0.4
101.02471	1.8
102.05596	0.4
107.01409	1.9
108.02204	0.6
109.02966	1.0
111.00903	0.3
113.02446	0.9
116.92873	0.5
117.03481	10.8
118.03870	0.4
119.03651	0.3
119.05044	6.0
121.03001	0.6
123.00925	0.7
123.04557	0.5
125.02473	0.9
128.03555	0.4
130.04285	0.3
131.05067	0.5
133.06618	0.5
135.00911	0.4
135.04509	0.3
137.02473	0.3
139.01628	0.3
143.05017	0.5
145.02975	47.3
146.03323	2.0
146.04451	0.5
147.04532	0.3
151.00386	3.2
152.01089	0.3
153.01953	0.4
157.06631	0.7
158.03697	0.4
159.04517	1.6
161.04584	0.5
161.06129	0.8
163.00490	1.4
163.01714	0.3
163.04039	6.7
164.01131	0.4
164.04359	0.3
167.05099	0.5
169.01462	1.6
169.06638	0.8
171.04533	0.6
171.10262	1.2
179.05585	0.3
183.04483	0.7
183.13892	0.3
185.06104	2.3
187.04013	3.6
189.05621	0.8
195.04533	0.8
196.05292	0.3
197.06108	0.7
199.03970	0.4
200.04697	0.4
201.05544	0.8
205.04987	0.4
209.11829	1.9
209.13606	0.3
211.04031	1.0
211.13396	2.1
213.05560	1.1
214.02708	0.4
217.05099	0.9
223.13123	0.3
227.03502	5.6
227.07100	0.6
228.03737	0.3
229.05063	6.5
233.15495	1.4
234.15747	0.3
239.03511	1.2
240.04105	0.6
241.05080	1.1
249.15021	0.4
255.02968	11.7
256.03604	1.3
257.04578	4.5
258.04907	0.3
267.03018	0.5
269.04608	0.3
283.02408	2.3
284.03241	8.3
285.04041	84.5
286.04379	5.7
289.07251	1.4
300.99786	0.4
307.08215	1.6
357.26202	0.3
397.13486	0.6
403.24915	0.7
453.11908	20.0
454.12250	2.5
575.12085	2.6
576.12610	0.4
593.12927	3.2
594.13055	0.6
739.16864	24.2
740.17175	5.6
741.43158	0.4
783.38843	1.6
784.38654	1.3
801.39996	2.4
802.39825	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	802.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.1
61.98832	100.0
62.98534	0.2
66.40057	0.0
69.95110	0.0
71.01386	0.1
71.42284	0.0
71.42595	0.1
74.03116	0.0
78.95944	0.1
79.95740	0.6
80.96518	0.6
82.96091	0.1
94.98100	0.1
96.96011	0.0
96.96974	0.0
122.97617	0.0
134.97623	0.0
148.99121	0.1
164.98680	0.1
165.12943	0.0
168.81020	0.0
183.13901	0.0
207.10312	0.1
209.11963	0.2
225.00728	0.2
236.75349	0.0
241.00925	0.0
253.09219	0.1
277.21713	0.3
278.22382	0.1
279.23352	0.1
484.54214	0.0
608.98041	0.0
785.37958	0.2
802.43188	0.1
803.39044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73757	0.4
57.03451	0.6
59.01377	4.8
59.50469	0.4
61.98831	100.0
63.02397	0.6
63.90525	0.4
65.00314	0.4
67.09034	0.4
69.03457	0.4
71.01393	4.3
72.99314	0.5
73.02945	1.2
75.00887	0.6
78.95911	1.7
80.96547	0.5
83.01404	1.5
85.02966	1.7
87.00886	0.9
88.98824	0.7
89.02469	1.8
93.03480	1.4
95.01376	0.6
96.96018	7.9
96.96983	0.8
97.02958	0.6
99.00888	0.5
101.02454	2.9
107.01393	2.6
108.02171	0.7
109.02972	1.3
113.02459	1.6
114.14364	0.4
116.92863	1.2
117.03484	7.7
118.03806	0.7
119.03501	0.4
119.05041	4.6
121.02937	0.7
123.00906	1.0
123.04558	0.9
125.02448	2.9
128.03583	0.5
137.02417	0.6
143.05043	0.9
145.02971	34.7
146.03328	1.6
146.04547	0.9
149.02470	0.5
150.03241	0.7
151.00401	3.0
152.01187	1.1
153.01947	0.9
159.04503	1.3
163.00369	0.9
163.04016	5.2
165.01901	0.5
169.01443	2.5
169.06693	0.7
170.01830	0.4
171.04498	0.4
171.10294	2.0
175.02383	0.7
183.04533	0.8
183.13837	0.6
185.06049	1.4
187.04039	2.7
189.05598	0.5
197.11818	0.6
199.03943	0.6
207.10320	0.8
209.11818	6.0
210.12207	0.6
211.13411	4.2
212.04491	0.4
212.13768	0.4
213.05548	0.9
225.11310	1.1
225.14955	0.4
227.03479	2.8
227.12971	0.6
229.05078	5.1
230.05382	0.6
235.08215	0.7
239.03329	0.7
241.05125	0.9
253.09256	0.8
255.02969	8.2
256.03488	1.2
257.04550	2.6
275.01874	0.6
283.02435	1.5
284.03275	6.2
285.04028	62.4
286.04410	6.8
287.22256	1.9
288.22693	0.7
289.07071	1.0
300.99951	1.1
307.08234	1.5
319.75140	0.5
341.23419	1.1
379.12363	0.5
397.13480	1.5
453.11880	19.0
454.12372	2.7
465.02045	0.9
465.52246	0.9
574.80365	0.5
575.11597	2.4
593.12927	3.4
594.12891	0.5
739.16742	18.4
740.17188	5.2
784.38721	1.4
801.39746	2.4
802.40076	3.9
803.45038	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	802.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
61.33797	0.2
61.98832	100.0
62.98524	0.3
63.02407	0.5
63.99250	0.4
65.00329	0.3
71.01398	1.2
73.02945	0.3
73.12928	0.2
83.01389	0.5
85.02974	0.3
87.00903	0.5
88.97594	0.1
88.98832	0.3
89.02457	0.4
93.03479	1.1
95.01420	0.3
96.96029	1.1
98.20735	0.2
101.02460	0.3
107.01395	1.4
108.02216	0.4
109.02962	0.6
113.02469	0.4
116.92900	0.4
117.03479	6.8
118.04931	0.1
119.05048	4.2
120.05392	0.2
121.02997	0.3
123.00932	0.3
123.04546	0.2
124.01738	0.2
125.02465	0.4
131.05040	0.3
132.02206	0.2
133.06595	0.2
135.00908	0.4
137.02415	0.2
143.05042	0.5
145.02972	27.0
146.03256	1.2
151.00392	2.2
152.01143	0.4
153.01956	0.5
155.05162	0.2
156.05882	0.2
157.06644	0.4
158.03723	0.3
159.03197	0.2
159.04539	0.9
161.02492	0.2
161.04639	0.2
161.06099	0.4
163.00414	0.8
163.04027	4.7
164.01263	0.2
164.04329	0.2
165.01979	0.2
167.05075	0.3
169.01425	1.0
169.06621	0.4
171.04550	0.2
172.26271	0.2
173.02501	0.2
173.06114	0.2
175.01109	0.2
175.02551	0.3
183.04530	0.7
183.13921	0.3
183.80652	0.1
185.06111	1.3
185.11700	0.2
187.04030	2.1
189.05536	0.4
195.04587	0.3
199.03995	0.5
201.05559	0.6
205.05121	0.2
209.11856	0.6
210.12186	0.2
211.03966	0.7
211.13406	0.7
213.05569	0.8
214.02724	0.2
215.03395	0.3
217.05116	0.3
227.03491	3.1
227.07045	0.2
227.12953	0.2
228.04063	0.2
229.03008	0.3
229.05069	4.0
229.74155	0.2
235.06326	0.2
239.03528	0.7
240.04196	0.2
241.04997	0.6
243.02989	0.2
255.02975	5.1
256.03445	0.7
257.04547	2.7
267.03052	0.4
283.02512	1.0
284.03244	5.1
285.04031	51.6
286.04364	4.2
289.07098	0.9
307.08197	0.8
313.05792	0.2
397.13211	0.2
402.34695	0.1
447.09149	0.1
453.11902	13.3
454.12204	2.1
575.12164	1.6
593.12927	2.3
594.13177	0.3
739.16827	14.9
740.17194	3.7
801.40295	0.5
802.41125	0.7
803.39325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
58.00576	1.1
59.01377	8.4
61.98510	1.4
61.98830	29.2
66.82788	0.7
69.03453	5.6
69.46642	4.1
69.47079	3.5
71.01382	7.5
71.05030	1.5
72.14973	0.7
78.91903	1.0
78.95891	0.9
81.03461	1.2
83.01411	1.0
83.05058	1.1
84.02171	2.6
85.02951	2.9
87.00893	1.4
88.98794	1.5
95.01381	1.0
96.96027	2.9
97.02948	1.4
97.06586	6.0
99.00854	1.6
101.02453	5.2
111.00865	1.1
113.02458	2.9
116.92841	2.6
119.03489	0.9
123.08186	2.0
125.02509	1.9
125.09691	2.7
137.09753	1.6
141.40463	0.8
151.11293	3.2
153.12823	2.1
161.04546	1.3
161.09732	4.0
163.11237	1.0
169.01436	2.0
169.12314	1.0
171.10246	11.7
172.10709	1.0
179.10779	4.6
185.11752	0.9
193.12334	4.1
197.11836	63.1
198.12186	4.3
209.11885	9.7
211.13412	5.3
223.09825	1.5
225.11371	0.8
225.14966	8.6
227.12933	1.2
235.08247	0.9
237.14928	2.9
241.10701	2.1
243.15948	3.4
253.09271	2.7
253.14546	1.5
255.15892	0.9
291.19562	1.7
300.99936	0.8
327.21716	2.3
341.23346	12.6
342.23666	1.6
355.24823	2.7
420.55505	0.9
459.18509	1.3
478.64221	1.0
517.31763	1.9
798.09436	1.0
801.42993	100.0
802.43250	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	800.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
60.78971	0.1
61.98832	100.0
62.98535	0.2
62.99261	0.0
71.01405	0.3
71.53264	0.1
71.53587	0.1
77.25276	0.0
78.95929	0.1
79.95720	0.1
80.96509	0.3
85.03006	0.1
89.02426	0.1
94.98145	0.1
99.00879	0.1
101.02480	0.1
109.06573	0.1
113.02437	0.1
114.51994	0.0
125.02480	0.1
163.11377	0.1
163.28329	0.0
171.10324	0.1
181.12393	0.0
183.13974	0.1
185.11888	0.1
196.14394	0.0
197.11798	0.3
207.10330	0.1
209.11838	0.4
210.12283	0.1
211.13445	0.8
212.13782	0.2
225.00824	0.1
226.98552	0.1
227.13022	0.1
230.30624	0.1
235.08284	0.1
253.09288	0.2
289.18158	0.1
291.19754	0.2
292.20065	0.2
293.21136	0.2
294.21692	0.1
304.08896	0.0
307.19260	0.1
309.20880	0.2
310.21011	0.2
635.79065	0.1
693.66510	0.1
801.36908	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.0
58.00586	0.6
59.01382	12.4
61.30451	0.4
61.98830	0.4
67.01887	1.0
68.99809	1.4
69.03445	1.2
69.74218	0.3
71.01389	13.8
71.75096	0.5
72.99313	2.9
73.02961	0.7
75.00880	10.5
83.01395	1.0
85.02961	16.7
87.00890	5.5
89.02455	4.6
91.04008	1.2
91.05545	6.5
93.03473	1.7
95.01405	4.2
97.02955	0.4
99.00899	6.5
101.02460	0.9
103.00372	1.0
109.02991	0.6
111.00879	1.1
112.01670	0.6
113.02470	20.1
114.02761	0.6
115.00372	1.0
117.01978	1.8
117.03484	2.6
121.02974	26.2
122.03310	1.2
123.04516	0.4
125.02460	0.7
127.97704	0.3
129.01958	1.4
131.03484	0.8
135.04546	5.8
136.01668	0.4
137.02495	1.6
139.00403	0.5
144.91696	0.3
145.02934	1.8
149.04539	0.9
151.00346	1.0
151.03998	0.4
152.95280	0.3
161.04546	0.5
163.03961	0.3
166.02736	5.4
167.03229	0.3
175.02484	1.4
179.10799	0.4
181.03596	0.7
181.05099	9.1
182.05399	0.4
191.05653	0.4
205.07213	1.0
207.05069	1.0
231.05057	1.6
249.06149	17.8
250.06444	1.0
263.07721	5.0
267.07196	50.2
268.07617	2.5
300.99924	0.6
385.11417	100.0
386.11734	9.3
387.10895	1.3
402.13315	1.4
413.14697	1.5
417.15543	15.7
418.15881	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	800.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98833	100.0
62.98536	0.1
70.86650	0.2
71.01414	0.3
75.00880	0.2
79.95730	0.1
80.96540	0.3
83.05047	0.1
85.02975	0.1
89.02504	0.1
101.02484	0.1
107.20731	0.1
109.06629	0.1
111.08137	0.1
113.02410	0.1
120.09476	0.1
125.02473	0.1
161.04617	0.1
171.10263	0.1
183.13948	0.1
185.11868	0.1
197.11848	0.1
199.13417	0.1
207.10260	0.2
209.11842	0.8
210.12263	0.3
211.13490	0.7
212.13771	0.2
225.00851	0.1
225.11392	0.1
227.12973	0.2
244.13089	0.1
253.09317	0.2
289.18097	0.1
291.19711	0.2
292.19980	0.2
293.21317	0.3
294.21616	0.2
307.19199	0.1
309.20694	0.2
692.20557	0.1
801.38147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.69039	0.2
69.27859	0.2
71.01402	0.4
71.72372	0.2
71.72797	0.2
78.95930	0.3
79.95754	0.2
80.96512	0.7
92.84486	0.2
99.19479	0.1
100.97007	0.2
101.02453	0.2
108.93970	0.2
144.39264	0.2
151.22026	0.2
171.10303	0.5
207.10243	0.2
209.11882	0.3
211.13434	0.2
225.00723	0.2
225.11517	0.2
246.38632	0.2
277.21786	0.4
278.22220	0.3
287.88043	0.1
294.11993	0.2
471.34995	0.6
472.35141	0.3
493.01733	0.2
706.55170	0.2
781.00104	0.2
800.39545	0.2
801.38849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.1
59.01381	0.3
60.01694	0.1
61.98832	100.0
62.98528	0.1
69.55249	0.4
69.55683	0.3
70.29423	0.1
71.01388	0.3
78.95911	0.1
79.95724	0.1
80.96503	0.4
83.05038	0.1
85.02972	0.1
87.00901	0.1
89.02435	0.1
89.53406	0.1
94.98123	0.1
98.19859	0.1
101.02472	0.2
109.06580	0.1
111.08176	0.1
113.02554	0.1
113.09792	0.1
116.92921	0.1
148.99191	0.1
150.65877	0.1
161.04642	0.1
164.98648	0.1
165.12971	0.1
168.30687	0.1
171.10257	0.1
183.13988	0.3
185.11987	0.1
197.11839	0.6
198.12192	0.2
207.10287	0.1
209.11842	2.2
210.12183	0.7
211.13417	3.0
212.13716	1.2
225.00761	0.1
225.11330	0.1
227.12947	0.3
235.08223	0.3
253.09402	0.5
254.09660	0.2
277.21457	0.1
291.19714	0.3
292.19983	0.2
293.21176	1.1
294.21631	0.8
295.22690	0.1
309.20755	0.8
310.21021	0.6
447.22302	0.2
534.62091	0.1
659.60901	0.1
782.41528	0.1
801.37317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.9
61.98835	2.0
63.96233	0.2
69.03452	0.4
71.01389	3.2
71.14982	0.3
71.15329	0.2
73.02950	0.6
77.54206	0.2
78.95914	1.0
78.98594	0.7
79.95743	1.6
80.96523	7.6
81.03471	0.3
82.96078	1.3
83.01408	0.3
83.05047	0.2
85.02956	1.0
87.00885	0.6
89.02451	1.5
94.98100	2.0
96.96976	0.3
96.97659	0.2
97.02961	0.3
99.00909	0.3
101.02455	2.2
106.98099	0.3
113.02453	0.9
119.03528	0.4
122.97576	0.5
125.02464	0.5
134.97606	0.4
148.99191	0.3
152.98586	0.3
152.99654	0.3
161.04546	0.7
164.98639	1.3
167.10794	0.4
167.14409	0.6
179.05627	0.6
181.12238	0.2
183.13911	5.8
193.12321	1.2
206.99698	0.4
208.00055	0.2
209.11858	1.9
211.13403	100.0
212.13744	5.7
225.00768	2.1
227.12892	0.4
233.93488	0.2
235.08206	1.6
241.01138	0.4
253.09273	5.8
255.23355	0.6
259.20544	0.2
277.21722	52.6
278.22083	5.0
293.24866	2.4
294.25095	0.2
349.01184	0.2
429.21280	1.7
447.22360	11.2
448.22839	1.1
475.18970	0.2
513.30688	1.1
707.43866	1.2
709.38721	1.5
710.39496	0.3
735.40350	0.8
781.41180	1.9
782.41156	0.4
799.43225	6.9
800.42755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35479	0.1
58.09347	0.0
59.01378	0.3
61.06551	0.1
61.98830	100.0
62.98536	0.1
71.01385	0.4
72.99332	0.1
73.02950	0.1
79.95753	0.1
80.96516	0.1
81.46706	0.1
85.02979	0.1
87.00893	0.3
88.98832	0.2
89.02479	0.2
93.03454	0.1
94.98110	0.3
96.96015	0.1
98.19836	0.1
99.00880	0.1
101.02483	0.2
102.35624	0.1
103.64681	0.1
107.01389	0.1
108.02199	0.2
109.02980	0.1
111.00892	0.1
113.02441	0.1
116.92811	0.1
117.03545	0.0
119.05070	0.1
121.02979	0.2
123.00877	0.1
125.02464	0.2
126.90480	0.1
131.31383	0.1
145.03003	0.1
151.00357	0.1
152.01201	0.2
153.01949	0.1
165.05605	0.1
169.01459	0.2
171.10217	0.1
181.05096	0.1
189.00951	0.1
209.11864	0.3
210.12273	0.1
211.13432	0.1
227.03485	0.2
227.12869	0.1
249.06235	0.1
255.02940	0.3
256.03354	0.2
257.04218	0.1
284.03329	0.2
285.03955	0.5
286.04379	0.3
301.00046	0.1
313.05743	0.1
326.74756	0.1
357.13269	0.1
371.11053	0.1
397.13940	0.1
487.34256	0.1
518.51483	0.1
541.37048	0.1
618.13086	0.1
621.35217	0.1
636.14661	0.1
678.15887	0.1
697.26843	0.1
727.65979	0.1
733.38806	0.1
740.41046	0.1
782.37836	0.1
800.19879	0.1
800.38928	0.3
801.41046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
57.27694	0.3
59.01377	7.0
60.59111	0.3
61.98831	100.0
69.03455	0.7
70.63551	0.8
70.63949	0.6
71.01378	3.0
73.02952	0.9
78.95910	0.5
80.08089	0.4
80.96529	2.2
81.03457	0.5
83.01403	0.5
83.05029	1.1
85.02970	1.2
87.00901	0.5
89.02436	2.1
95.01440	0.4
96.96054	0.3
97.02969	1.8
97.06634	0.4
98.65138	0.4
101.02457	3.2
101.79303	0.3
109.06635	0.5
111.08179	2.7
113.02466	1.5
119.03523	0.7
125.02503	0.7
125.09729	0.7
137.09718	0.6
161.04572	1.5
162.83865	0.4
163.11253	0.9
165.12874	1.3
167.10825	0.3
169.12329	1.4
171.10239	1.1
171.33110	0.3
179.05659	0.7
179.14430	0.4
181.12355	0.8
183.13907	3.7
184.14214	0.4
185.11862	0.7
193.12347	1.2
195.13922	1.3
197.11848	12.7
198.12143	0.6
199.13405	1.1
207.10243	0.6
209.11859	18.9
210.12146	1.3
211.13411	58.6
212.13678	3.5
223.13367	1.4
225.11400	0.8
226.11713	0.6
227.12910	4.6
235.08247	2.6
247.20613	0.9
253.09290	10.5
254.09633	0.6
263.20111	0.8
265.18170	0.5
273.18445	0.7
275.20160	1.6
291.19656	12.9
292.19876	1.5
293.21213	16.6
294.21436	1.6
309.20715	28.9
310.21072	2.6
433.20557	0.4
447.17291	0.4
447.22525	3.8
485.32703	0.5
503.33612	0.8
521.75623	0.4
527.28516	1.0
529.29852	0.6
545.29559	2.5
546.29962	0.6
598.79596	0.3
739.42328	1.2
752.88702	0.5
799.35516	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96849	0.4
59.01369	4.2
59.89623	0.4
65.03967	0.5
69.03471	1.1
70.55975	1.6
71.01385	4.1
72.99329	1.1
73.02950	0.6
75.00890	0.7
79.52838	0.4
81.03463	0.5
83.01385	2.9
85.02963	1.8
87.00883	1.3
89.02470	1.9
93.03448	2.2
95.01378	0.9
95.05043	0.8
96.96021	1.2
97.02963	2.8
101.02467	1.4
106.50568	0.4
107.01384	3.7
108.02189	2.0
109.02968	9.5
110.03293	0.5
111.00897	2.6
113.02460	1.8
117.03483	0.5
119.03527	0.5
119.05007	0.6
121.02969	5.3
122.03798	0.9
123.00900	4.3
123.04541	7.5
124.01726	2.0
125.02462	31.3
126.02802	0.5
127.00394	0.9
133.02963	0.8
135.04544	2.2
136.98848	1.7
137.02461	5.1
139.00374	2.3
139.04016	2.5
140.01175	4.6
145.02956	1.6
146.03731	1.0
147.04544	0.8
148.01657	0.7
148.05307	1.2
149.02477	5.6
149.06082	1.9
150.03212	1.8
151.00381	2.4
151.04034	4.2
151.74332	0.4
153.01927	0.7
153.05534	0.5
159.04500	1.5
160.05345	1.0
161.02446	6.6
161.06100	2.8
162.03181	1.3
162.25380	0.4
163.00337	0.6
163.04030	5.3
163.07605	1.1
164.01140	1.0
164.04526	0.6
165.01979	2.8
165.05547	2.4
166.02676	0.9
166.46104	0.4
167.03519	2.5
168.00661	16.4
169.01443	37.8
170.01787	1.6
172.05261	1.3
173.02425	1.0
173.05995	0.7
174.03214	1.5
175.04007	2.5
177.01965	1.1
177.05574	1.2
178.02766	0.5
179.03517	0.9
181.05074	2.3
183.02980	1.2
183.04501	0.5
185.06171	1.0
187.04050	1.9
187.07681	1.1
188.01157	0.6
188.04788	0.9
189.01996	2.0
189.05589	0.6
190.02792	0.9
191.03484	2.5
191.05551	0.7
193.01431	1.2
193.05022	1.3
195.06664	1.3
199.03905	0.7
201.05574	1.9
202.06320	0.8
203.03485	1.7
203.07050	2.5
205.04991	3.8
211.02483	72.6
212.02823	3.7
213.05498	0.8
214.02701	0.5
214.06195	0.4
216.04369	0.7
217.01343	0.8
219.02811	0.5
219.06598	0.5
221.37932	0.6
225.05482	0.5
226.06480	0.7
227.03508	0.7
227.07137	1.6
228.04262	0.6
229.04993	1.7
230.05913	0.5
231.03015	1.1
231.06700	1.1
235.02400	0.9
241.03558	1.3
242.05855	0.8
243.02898	0.6
243.06558	0.6
245.04350	0.6
245.08127	2.8
247.06117	2.6
249.03954	1.0
257.00797	0.5
257.04483	0.6
261.00314	0.9
269.04605	0.5
270.05283	1.5
271.04559	100.0
272.04852	6.3
272.07159	0.6
275.01923	1.6
282.05325	0.8
283.05890	0.8
285.07724	3.5
287.09192	2.0
289.07175	5.1
297.07663	0.6
300.99832	3.7
310.04688	0.8
313.05850	1.8
315.08646	3.9
325.07162	1.0
326.07529	0.6
327.08777	0.6
331.06689	25.8
332.07126	2.2
338.68283	0.5
349.11133	0.6
369.13632	0.5
371.09631	1.0
383.13940	0.6
437.12549	3.5
449.12393	3.5
467.13525	6.6
468.13986	0.9
479.11948	4.8
480.12482	0.6
495.15091	0.9
509.12970	3.0
582.68915	0.5
593.15619	0.6
625.14423	1.1
645.14496	0.7
647.16565	11.8
648.16547	2.5
675.15198	0.5
727.07581	0.9
752.31921	0.5
755.21515	0.8
799.21069	28.1
800.21161	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	797.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01375	3.9
61.98831	6.2
62.60277	0.4
69.03468	0.3
71.01387	3.0
71.05011	0.4
73.02956	0.5
76.37537	0.3
80.02697	0.8
81.03475	1.0
83.01370	0.5
83.05033	3.9
84.02170	0.8
85.02972	0.8
87.00880	0.7
89.02449	1.7
95.05034	1.0
99.00851	0.5
101.02444	2.3
109.06609	0.7
111.08166	3.2
113.02467	1.1
116.92879	0.6
119.03556	0.4
125.09727	0.4
135.08157	0.8
160.84277	0.5
161.04597	1.2
162.83968	0.5
163.11340	3.4
165.12852	2.1
167.10774	0.9
177.12837	0.6
179.10773	0.8
181.12360	0.7
191.10750	1.1
195.13940	2.2
197.11935	0.4
207.10269	0.6
209.11839	100.0
210.12148	6.0
211.13397	0.9
227.12894	12.3
228.13257	1.2
235.08107	2.3
247.20641	0.8
253.09291	7.7
259.08282	0.4
273.18497	0.7
291.19653	48.2
292.20004	4.4
293.21375	0.4
309.20615	0.5
386.03177	0.4
390.14807	0.4
416.21097	0.4
445.20761	3.7
463.22055	0.4
483.30856	0.4
509.27499	1.1
527.28699	1.9
549.53662	0.5
719.40350	1.9
737.41180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98832	100.0
71.65991	0.3
78.95937	0.2
80.96520	0.3
88.98801	0.3
118.85515	0.1
151.32433	0.1
177.38029	0.1
182.21626	0.2
195.03972	0.1
199.30565	0.1
209.11763	0.4
211.13448	0.2
293.21210	0.1
295.22693	0.2
396.33643	0.2
471.34894	0.4
472.34991	0.3
799.39886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
58.61900	0.6
59.01374	13.2
61.98830	38.1
63.99279	0.5
68.54002	0.5
69.03461	1.2
69.31987	6.6
71.01391	3.3
73.02945	0.8
74.86976	0.5
75.00874	0.8
78.95898	1.4
80.02692	0.7
80.96523	1.7
83.01403	1.2
83.05027	0.8
85.02952	0.8
87.00891	0.8
89.02447	2.3
97.02948	0.7
97.06615	1.5
101.02454	3.6
109.06594	0.6
110.10171	0.5
113.02474	1.8
119.03522	0.9
121.02950	0.6
123.04562	0.9
125.09729	2.5
135.08168	0.7
137.09720	1.4
157.66859	0.7
161.04549	1.6
161.09631	0.6
162.83855	0.6
163.11292	2.4
165.12871	0.9
167.14452	0.9
171.10281	1.0
183.13902	6.8
185.11838	3.6
191.14421	2.4
193.12334	2.2
193.14008	0.6
207.10254	2.4
209.11833	8.6
210.12248	0.9
211.13394	100.0
212.13757	7.3
225.11270	2.0
235.08319	3.8
245.19083	4.7
253.09273	8.2
255.23250	0.8
263.20181	0.8
289.18066	25.4
290.18451	2.7
291.19659	1.7
293.21191	1.8
307.19135	25.2
308.19424	2.1
309.20685	1.5
384.84592	0.6
447.22330	5.0
448.22528	0.8
483.31104	0.8
501.32291	1.1
621.32806	3.8
635.39771	1.2
701.39349	1.0
719.40063	1.4
737.41364	1.6
797.41113	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	797.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89262	0.3
59.01366	1.0
61.98835	12.5
71.01366	0.9
71.76231	0.3
85.02950	0.3
88.98811	0.8
89.02457	0.5
93.03474	0.9
95.05003	0.4
95.78150	0.3
96.96043	0.5
107.01385	0.5
108.02209	0.6
109.02975	0.6
111.00900	0.3
116.92872	1.0
121.02992	1.6
122.03752	3.6
123.00919	0.9
123.04520	0.9
124.01669	0.3
125.02477	2.1
132.02184	0.8
133.02980	0.4
133.29225	0.2
134.03764	0.4
135.04575	1.8
136.01665	0.9
137.02466	3.1
138.03247	0.3
145.02957	1.2
146.03766	0.5
147.04530	0.4
149.02452	5.2
149.06058	0.9
150.03247	21.0
151.00346	0.6
151.04045	1.7
153.02022	0.3
160.01689	2.1
161.02434	0.6
161.67195	0.3
162.03339	0.3
163.00278	0.3
163.03960	0.5
164.04770	1.1
165.01953	12.5
165.05585	16.9
166.02667	1.1
166.06046	0.9
167.03462	0.4
167.07152	3.0
168.00652	0.3
169.01398	1.8
175.04054	0.5
177.05632	0.4
179.03543	2.7
179.05014	0.4
179.05739	0.4
179.07085	2.1
180.04300	8.4
180.07863	1.5
181.05046	1.7
181.08665	0.4
183.04514	0.6
187.04057	0.5
193.04733	0.3
194.05785	0.6
195.06641	19.8
196.07047	0.7
199.03987	0.4
200.04695	0.4
208.07397	1.2
209.04510	0.3
209.08159	0.7
210.05269	1.3
211.03993	1.0
211.05963	0.6
212.04791	5.6
213.05484	0.7
221.08092	0.4
223.07700	0.3
225.05678	0.3
225.07651	7.6
226.02751	0.6
226.06281	1.0
226.08235	0.4
227.03531	3.3
228.04234	3.5
229.01286	0.3
229.04892	0.5
231.10335	1.5
238.02711	0.3
238.06282	0.3
239.03419	0.4
239.07086	0.6
240.04355	0.5
241.05063	0.8
241.08656	0.4
243.10251	1.2
251.07137	0.5
252.04254	0.6
253.05167	0.3
253.08542	0.4
255.02956	2.6
255.10178	0.4
256.03751	7.9
257.04272	1.0
259.09763	1.1
265.05002	0.5
266.05865	0.4
267.06540	2.4
268.07217	0.3
269.05447	0.4
269.08179	2.8
270.05521	0.4
270.08740	0.4
271.09799	4.8
275.02103	0.9
279.06586	0.9
281.08258	0.5
282.08942	1.2
283.09802	1.7
284.03275	3.7
284.06458	0.5
284.10144	0.5
285.03989	2.5
285.07669	1.9
286.08405	0.4
287.09241	2.4
297.04440	0.4
297.07724	6.3
298.08237	1.3
299.09116	2.4
300.09821	0.3
300.99881	1.4
309.07776	0.8
310.08325	1.7
311.05551	0.6
311.09225	12.5
312.09915	3.9
313.10696	0.6
314.07846	0.8
314.11441	0.6
315.08734	8.0
315.12418	0.4
316.09180	0.7
325.10880	1.4
326.11508	3.9
327.08759	12.9
327.12241	1.4
328.09253	1.4
329.12909	1.9
330.11075	24.3
331.11600	3.2
340.09351	0.6
341.10419	1.1
342.11084	4.0
343.11700	1.0
344.12766	0.9
345.13440	100.0
346.13763	9.6
357.13434	31.4
358.13794	3.1
359.11218	0.5
359.15158	0.6
371.14923	0.3
373.12817	1.0
375.14456	7.2
376.14777	0.7
389.52206	0.3
403.14133	0.4
421.15155	0.6
457.02271	4.5
457.52817	1.3
458.03091	0.5
523.19653	1.3
539.35742	0.3
553.20703	6.6
554.21033	0.8
583.21014	0.3
590.46216	0.3
601.22894	6.8
602.23254	0.7
635.14178	4.8
636.14404	0.7
678.56006	0.3
707.24731	0.4
749.28149	1.9
797.29211	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89262	0.3
59.01366	1.0
61.98835	12.5
71.01366	0.9
71.76231	0.3
85.02950	0.3
88.98811	0.8
89.02457	0.5
93.03474	0.9
95.05003	0.4
95.78150	0.3
96.96043	0.5
107.01385	0.5
108.02209	0.6
109.02975	0.6
111.00900	0.3
116.92872	1.0
121.02992	1.6
122.03752	3.6
123.00919	0.9
123.04520	0.9
124.01669	0.3
125.02477	2.1
132.02184	0.8
133.02980	0.4
133.29225	0.2
134.03764	0.4
135.04575	1.8
136.01665	0.9
137.02466	3.1
138.03247	0.3
145.02957	1.2
146.03766	0.5
147.04530	0.4
149.02452	5.2
149.06058	0.9
150.03247	21.0
151.00346	0.6
151.04045	1.7
153.02022	0.3
160.01689	2.1
161.02434	0.6
161.67195	0.3
162.03339	0.3
163.00278	0.3
163.03960	0.5
164.04770	1.1
165.01953	12.5
165.05585	16.9
166.02667	1.1
166.06046	0.9
167.03462	0.4
167.07152	3.0
168.00652	0.3
169.01398	1.8
175.04054	0.5
177.05632	0.4
179.03543	2.7
179.05014	0.4
179.05739	0.4
179.07085	2.1
180.04300	8.4
180.07863	1.5
181.05046	1.7
181.08665	0.4
183.04514	0.6
187.04057	0.5
193.04733	0.3
194.05785	0.6
195.06641	19.8
196.07047	0.7
199.03987	0.4
200.04695	0.4
208.07397	1.2
209.04510	0.3
209.08159	0.7
210.05269	1.3
211.03993	1.0
211.05963	0.6
212.04791	5.6
213.05484	0.7
221.08092	0.4
223.07700	0.3
225.05678	0.3
225.07651	7.6
226.02751	0.6
226.06281	1.0
226.08235	0.4
227.03531	3.3
228.04234	3.5
229.01286	0.3
229.04892	0.5
231.10335	1.5
238.02711	0.3
238.06282	0.3
239.03419	0.4
239.07086	0.6
240.04355	0.5
241.05063	0.8
241.08656	0.4
243.10251	1.2
251.07137	0.5
252.04254	0.6
253.05167	0.3
253.08542	0.4
255.02956	2.6
255.10178	0.4
256.03751	7.9
257.04272	1.0
259.09763	1.1
265.05002	0.5
266.05865	0.4
267.06540	2.4
268.07217	0.3
269.05447	0.4
269.08179	2.8
270.05521	0.4
270.08740	0.4
271.09799	4.8
275.02103	0.9
279.06586	0.9
281.08258	0.5
282.08942	1.2
283.09802	1.7
284.03275	3.7
284.06458	0.5
284.10144	0.5
285.03989	2.5
285.07669	1.9
286.08405	0.4
287.09241	2.4
297.04440	0.4
297.07724	6.3
298.08237	1.3
299.09116	2.4
300.09821	0.3
300.99881	1.4
309.07776	0.8
310.08325	1.7
311.05551	0.6
311.09225	12.5
312.09915	3.9
313.10696	0.6
314.07846	0.8
314.11441	0.6
315.08734	8.0
315.12418	0.4
316.09180	0.7
325.10880	1.4
326.11508	3.9
327.08759	12.9
327.12241	1.4
328.09253	1.4
329.12909	1.9
330.11075	24.3
331.11600	3.2
340.09351	0.6
341.10419	1.1
342.11084	4.0
343.11700	1.0
344.12766	0.9
345.13440	100.0
346.13763	9.6
357.13434	31.4
358.13794	3.1
359.11218	0.5
359.15158	0.6
371.14923	0.3
373.12817	1.0
375.14456	7.2
376.14777	0.7
389.52206	0.3
403.14133	0.4
421.15155	0.6
457.02271	4.5
457.52817	1.3
458.03091	0.5
523.19653	1.3
539.35742	0.3
553.20703	6.6
554.21033	0.8
583.21014	0.3
590.46216	0.3
601.22894	6.8
602.23254	0.7
635.14178	4.8
636.14404	0.7
678.56006	0.3
707.24731	0.4
749.28149	1.9
797.29211	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
60.99304	1.2
61.98833	17.6
63.02395	2.0
65.00323	4.6
71.01393	2.0
71.43255	0.7
72.99323	0.7
73.02962	0.4
74.03268	0.3
80.96519	1.0
83.01403	3.3
85.02958	0.5
88.98820	7.6
89.02467	1.1
91.01905	0.7
93.03473	1.3
95.01379	0.4
101.02467	0.5
107.01405	10.5
108.02210	1.4
109.02988	3.3
109.06602	0.3
113.02544	0.5
115.00385	0.6
116.92867	0.8
117.03477	5.3
119.01474	0.5
119.05039	4.7
120.05477	0.3
121.02966	7.0
123.00934	0.5
125.02453	1.7
133.01447	2.1
133.02977	1.0
135.00911	0.9
139.04008	0.5
143.05038	0.5
145.02982	12.6
146.03458	0.6
148.01706	1.3
149.02469	1.1
151.00394	32.4
152.00845	1.1
155.05000	0.5
159.04517	1.1
161.02486	3.7
161.06096	0.4
162.03180	0.4
163.00412	3.9
163.04070	3.1
164.01088	1.1
169.01460	3.9
171.04550	1.1
174.03192	0.4
175.04010	1.0
178.99892	15.8
180.00243	0.6
183.04561	1.2
185.06146	0.5
187.04065	2.0
190.99901	1.0
192.00670	0.7
193.01511	0.6
198.03340	0.3
199.04068	2.8
201.01872	0.7
201.05576	0.9
203.03502	0.7
209.11848	1.1
211.04054	1.9
212.04808	0.5
215.03481	1.2
216.04230	0.4
226.02699	1.8
227.03525	5.7
228.04103	0.7
229.05009	2.4
230.05418	0.4
231.03008	0.6
239.03622	0.9
240.04242	0.6
241.04955	0.4
242.02049	0.4
243.02977	9.8
244.03430	1.2
245.04529	2.0
254.02148	1.3
255.02965	24.9
256.03397	2.3
257.04581	1.4
258.04938	0.4
271.02463	51.1
272.02893	5.9
273.04065	2.4
283.02515	2.6
284.03360	2.0
285.04034	10.6
286.04391	0.8
299.01974	11.0
300.02753	68.0
301.03513	100.0
302.03876	8.9
313.03415	0.8
445.07584	0.9
447.07181	1.7
487.08749	0.8
495.13037	1.6
505.09937	4.4
506.10324	0.7
511.12451	1.7
573.10559	0.6
591.11353	0.6
633.12653	3.4
634.13135	0.5
635.14423	1.8
636.14099	0.5
651.13611	25.8
652.14020	5.4
797.17505	19.9
797.39331	1.5
798.17761	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	795.456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01381	13.8
61.98832	10.7
69.03462	1.5
69.26798	0.6
69.69932	0.5
71.01387	4.5
71.05020	0.9
73.02954	1.1
80.02699	0.6
80.96510	0.7
81.40029	0.5
81.95172	0.6
83.01394	0.5
83.05028	0.6
85.02959	1.5
87.00888	1.2
89.02451	2.8
95.05087	0.8
101.02455	3.8
109.06620	1.1
111.08137	0.7
113.02454	2.5
119.03491	0.9
123.27551	0.6
149.09821	0.6
157.31264	0.5
160.84175	0.8
161.04572	2.0
162.83940	1.4
167.10799	3.2
171.10275	2.6
177.09392	0.6
177.12854	1.1
179.03294	0.7
179.05701	1.1
179.10822	1.1
179.14417	4.1
195.13908	16.5
196.14384	1.2
199.09752	0.9
201.11310	1.5
205.12349	8.7
209.11867	4.2
211.13441	0.9
223.13405	100.0
224.13760	7.4
225.11324	1.2
227.12775	0.7
228.13628	1.1
235.08160	3.6
236.08678	0.8
253.09308	16.1
254.09587	0.8
256.13025	0.9
275.20206	5.1
277.21704	6.3
278.22223	1.4
293.21225	77.9
294.21564	6.9
385.45453	0.6
441.21265	0.8
444.08627	0.6
459.22360	16.4
460.22693	1.9
499.34451	1.2
529.30243	2.9
735.43372	4.7
736.43829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.0
60.99299	1.8
61.98830	37.8
62.02479	0.5
62.34478	0.6
63.02390	2.3
65.00316	4.8
65.39915	0.6
67.42363	0.7
69.94063	0.6
71.01383	1.3
71.52637	1.2
72.99335	0.9
78.95908	0.8
80.96542	0.9
81.50050	0.7
83.01385	3.6
88.98812	13.1
89.02462	1.2
93.03468	1.7
95.01392	0.8
96.95995	0.8
107.01405	10.2
108.02182	1.4
109.02968	3.2
116.92845	0.9
117.03482	5.7
119.01385	0.8
119.05097	4.4
121.02959	7.8
123.00911	0.7
125.02439	2.4
135.00865	0.7
137.02521	0.9
139.04022	0.8
145.02982	14.4
146.03386	1.7
149.02515	1.0
151.00381	32.1
152.00711	1.0
152.88086	0.6
156.85335	0.7
161.02504	1.3
163.00389	3.2
163.04004	2.5
164.01163	1.6
169.01468	4.0
171.04457	1.1
178.99861	14.9
180.00388	0.7
183.04555	0.9
187.03989	1.8
190.99802	0.7
192.00694	0.7
195.53656	0.7
199.04004	2.1
201.02084	1.0
201.05518	0.8
209.11810	2.1
211.04016	2.2
211.13527	0.9
215.03465	1.7
216.04216	0.8
226.02757	1.8
227.03571	4.5
229.05002	1.7
239.03276	0.7
243.03032	9.8
245.04538	1.4
254.02254	1.3
255.02962	20.2
256.03323	2.2
257.04474	0.8
271.02463	52.6
272.02927	6.7
273.03983	1.8
283.02487	1.7
285.04007	1.8
299.01950	11.7
300.02737	61.7
301.03516	100.0
302.03922	9.0
313.03433	0.8
346.94434	0.7
410.57571	0.7
445.07935	1.1
447.07443	0.7
487.08813	1.5
495.13089	0.8
505.09662	3.6
573.10406	0.8
598.86737	0.8
633.12885	2.7
635.39465	1.1
651.13623	23.1
652.13788	6.2
797.17542	19.1
797.33276	1.0
797.38593	0.9
798.17670	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	795.368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
59.30323	0.1
60.01707	0.2
60.99305	16.9
61.98830	3.6
71.01386	1.1
72.99326	0.1
85.02968	0.3
87.00884	0.7
88.00407	0.9
88.98813	100.0
89.02444	3.7
89.99123	0.9
92.42451	0.1
98.19815	0.2
101.02445	0.3
103.00410	0.2
105.01936	0.1
107.01343	0.1
113.02437	0.2
116.92873	0.4
121.02959	0.2
123.00908	0.2
125.02442	0.4
125.09746	0.2
137.02464	0.2
140.15140	0.1
149.02402	0.1
150.03238	0.2
153.02002	0.1
163.04007	0.1
165.01961	0.1
165.05562	0.3
169.01329	0.2
169.96809	0.1
171.10252	0.4
175.03818	0.1
183.13893	0.1
187.09773	0.2
195.06503	0.1
201.11259	0.1
207.10173	0.2
209.11847	1.9
227.12836	0.6
228.13190	0.1
253.09291	0.2
275.01822	0.2
300.94946	0.1
300.99683	0.3
303.36694	0.1
361.29468	0.1
420.37509	0.1
445.20309	0.1
465.52170	0.2
466.02588	0.1
466.52332	0.2
794.50226	0.5
795.36609	0.5
795.49634	1.4
796.37860	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
59.07548	0.7
61.98832	6.6
63.96240	1.9
68.99577	1.0
69.03448	1.3
71.01391	10.4
71.70743	1.3
71.71101	0.7
72.08974	0.6
73.02961	2.1
76.51435	0.6
78.95909	5.6
78.98597	9.7
79.95744	19.0
80.96526	100.0
81.03459	0.9
85.02954	4.2
87.00900	4.1
91.09187	0.7
94.98100	23.2
96.96033	2.2
97.02966	2.8
97.80815	0.6
99.00899	0.9
99.56249	0.7
101.02476	2.9
106.98099	4.6
112.98592	1.0
122.97598	5.6
125.02460	4.0
127.03981	1.1
134.97609	7.5
136.99179	1.8
146.96597	0.9
148.99182	8.3
152.98615	7.0
152.99619	1.1
164.97287	0.9
164.98659	14.9
206.99814	3.5
225.00739	22.9
255.23306	5.1
334.89301	0.7
341.45807	0.8
378.77679	0.6
537.27496	4.3
793.51849	89.7
794.52332	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	793.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.1
58.00589	0.5
59.01379	100.0
60.01727	1.2
60.99293	0.6
61.98829	9.7
67.18510	0.3
69.03457	0.8
71.01388	13.0
71.05034	0.5
72.01738	0.3
72.99324	0.7
73.02959	4.8
75.00871	0.7
82.80962	0.3
83.01395	2.6
83.05052	0.8
84.01689	0.3
85.02963	6.1
85.03443	0.6
86.00134	0.5
87.00884	5.2
87.04538	0.4
88.00429	1.3
88.98834	1.7
89.02451	5.7
89.02983	0.4
95.01412	1.8
96.96028	0.6
97.02969	0.6
97.06624	0.8
99.00906	1.4
99.04554	2.7
99.92593	1.8
100.92617	0.9
101.02455	6.9
101.14573	0.3
101.92435	0.8
103.00421	0.6
109.02995	0.4
109.06598	0.4
111.00923	0.5
113.02478	6.0
115.00349	0.4
116.92876	27.9
117.01971	1.3
117.92878	12.3
118.92648	8.3
118.93336	1.8
118.99839	0.6
119.03518	2.6
123.00877	0.4
125.02457	1.6
127.11321	0.4
129.02028	0.4
137.02533	0.4
137.09700	0.5
143.03500	0.5
150.03278	0.4
153.09195	0.4
155.10796	0.6
159.03020	0.6
161.04593	0.7
165.01894	0.4
165.05637	0.4
165.12898	1.3
167.10742	0.6
169.01480	0.6
171.13957	0.6
183.14050	0.4
185.11902	0.8
187.13503	0.7
189.12842	0.5
201.11345	4.5
201.14981	1.0
207.13907	1.3
209.11855	8.8
210.12157	0.6
211.13463	1.8
225.14990	4.5
227.12895	21.1
228.13179	2.1
233.75818	0.4
251.12895	0.6
260.96350	0.3
269.13989	1.1
275.01923	0.6
287.15018	1.0
300.99719	0.6
309.04037	0.3
315.25247	0.5
359.28070	1.0
361.29620	6.5
362.29895	0.7
397.13657	0.7
456.01636	0.7
465.02084	1.6
465.52768	0.4
466.02945	0.5
505.33881	2.6
523.34729	1.6
555.53174	0.4
775.48651	2.1
776.48474	0.5
793.49780	99.2
794.50165	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4441
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03449	0.3
57.13407	0.3
59.01386	0.7
61.98827	0.8
63.96245	1.5
69.03462	0.7
71.01389	8.7
72.99308	0.4
73.02966	1.6
78.95917	1.0
78.98594	6.5
78.99021	0.5
79.95251	0.5
79.95744	14.5
80.96526	75.0
81.03470	0.6
82.96095	1.1
83.01399	0.5
85.02957	2.6
87.00885	3.1
94.98096	17.1
95.01397	0.5
95.49736	0.3
96.96026	1.2
97.02969	1.9
99.00899	0.5
99.04544	0.5
101.02446	2.2
106.98103	2.9
109.30700	0.3
122.97592	5.7
125.02473	3.5
127.04018	0.8
134.97610	5.2
136.99194	2.0
146.97585	0.3
147.83421	0.3
148.99164	6.7
150.97014	0.3
152.98634	6.3
152.99644	0.5
164.98653	14.0
165.98898	0.4
167.00212	0.6
188.98642	0.4
206.99655	3.0
209.11844	1.1
225.00748	24.3
226.00984	0.7
255.23213	0.9
283.04858	0.6
283.26373	1.3
358.99951	0.3
467.48691	0.3
509.16870	3.1
565.30280	1.6
743.84045	0.4
793.44348	100.0
794.44635	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	793.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.3
59.01381	94.2
60.01710	1.4
60.99305	0.8
61.98834	14.4
63.20602	0.4
68.69019	0.5
69.03456	0.8
71.01385	14.8
72.99335	0.8
73.02948	3.7
75.00882	0.6
81.03474	0.5
83.01403	2.0
83.05020	0.6
85.02962	7.5
87.00890	2.2
88.98805	2.9
89.02462	6.3
95.01414	1.6
96.96026	0.7
97.02970	0.7
97.06597	0.8
98.20634	1.0
99.00887	1.6
99.04533	2.6
101.02455	7.8
109.06612	0.7
111.00912	1.2
111.08178	0.5
113.02470	8.1
115.00309	0.5
116.92883	5.1
117.92885	0.5
118.92716	0.5
119.03519	2.0
120.99706	0.7
121.02979	0.7
121.06638	0.6
125.02461	2.2
127.11342	0.6
129.01970	0.6
137.02483	1.4
139.00365	0.7
141.01955	0.5
142.45068	0.5
143.03529	0.9
149.02489	0.6
150.03259	1.3
151.00395	1.1
155.10832	0.5
161.04616	1.5
163.03955	0.8
163.11325	0.5
165.01920	0.6
165.05568	1.2
165.12862	1.9
165.71204	0.5
169.01479	1.4
171.13936	0.7
183.13913	1.2
185.11818	1.0
189.12965	0.5
191.10829	0.5
195.06665	0.8
201.11342	5.3
201.14960	0.8
202.11717	0.6
203.03493	0.5
207.13913	1.4
209.11830	8.2
210.12125	0.8
211.02388	0.5
211.13405	1.9
225.14954	4.9
227.12889	23.1
228.13167	1.9
245.00995	0.5
255.03152	0.6
269.13986	1.5
275.01993	0.8
285.04211	0.7
287.15009	1.8
300.02716	1.0
301.00143	0.9
301.03433	0.7
302.00201	0.4
327.21750	1.2
328.22156	0.6
343.28598	0.5
359.28149	1.0
361.29749	4.8
362.30176	0.6
397.13358	1.4
432.24677	0.5
456.01648	0.9
457.17300	1.0
465.02148	2.0
465.52176	0.7
466.02826	0.8
505.33783	2.8
523.34790	1.6
547.51282	0.5
766.52124	0.6
775.48645	2.3
793.49872	100.0
794.50238	28.2
794.61597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
58.00610	0.8
59.01380	79.2
60.01736	0.7
60.99304	0.7
61.98833	27.5
63.41862	0.5
68.99572	3.1
69.03466	0.8
71.01386	13.4
71.73603	0.8
72.99318	1.7
73.02962	3.9
74.99119	0.8
83.01397	2.8
85.02964	6.9
87.00867	3.0
88.98827	1.5
89.02461	3.2
93.03480	1.3
95.01411	1.7
96.62524	0.6
96.96033	2.6
97.02966	0.9
97.06598	1.1
99.00913	1.7
99.04538	1.9
100.51882	0.6
101.02460	6.6
108.02158	0.7
109.02971	3.4
109.06638	0.8
110.01854	0.6
111.00905	0.8
112.98586	3.4
113.02473	5.9
113.53876	0.6
116.92870	2.2
119.03530	0.9
119.60158	0.6
121.02975	8.8
122.03767	7.3
123.00938	1.7
123.04557	2.3
124.01667	1.8
125.02435	3.7
129.03456	1.0
135.04587	2.1
136.05345	1.4
136.99234	1.3
137.02457	2.6
146.49107	0.6
147.04547	5.7
149.02536	0.8
150.03221	2.6
150.57654	0.6
151.00410	0.8
151.03967	1.1
154.02731	1.9
161.04823	0.6
161.06096	2.9
163.04013	0.8
163.11157	0.5
164.04884	0.8
165.01978	1.8
165.05591	15.7
165.12880	1.6
166.06000	0.7
167.03552	0.6
168.00642	0.9
169.01439	2.2
170.01743	0.6
170.20752	0.6
173.06046	0.7
175.07658	1.3
178.06340	0.6
179.07114	4.0
180.04280	1.6
181.05042	0.9
189.25337	0.8
190.06410	0.8
191.07167	2.4
191.10883	1.0
195.06667	2.4
207.13884	2.0
209.08429	0.8
209.11790	5.0
210.12234	0.7
223.09674	0.7
225.07692	1.9
225.11362	0.8
225.14981	8.9
227.12895	34.3
228.13182	1.5
269.13950	2.2
271.09665	0.6
283.10077	0.7
287.15036	2.6
298.12076	1.2
299.12820	0.9
300.99817	0.7
313.14435	4.5
315.12436	1.7
327.12256	1.2
328.13144	2.1
329.13843	1.6
342.42892	0.7
343.15424	6.2
344.16205	1.0
346.14236	3.3
347.14810	2.9
361.16574	39.5
362.16760	4.0
371.11288	0.6
456.01608	0.8
484.29065	0.7
491.19275	0.8
505.20804	16.2
506.21225	2.2
509.20206	2.9
523.21844	9.3
524.22089	1.7
565.22852	3.4
679.36975	1.8
775.36200	5.4
776.36652	1.5
793.36829	100.0
794.37158	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39151	0.1
59.01365	0.4
61.98836	1.4
62.22687	0.1
70.09206	0.7
71.01382	0.3
73.02952	2.5
74.03372	0.1
74.14749	0.1
75.00869	0.2
78.95918	0.2
99.00895	0.5
99.92597	8.7
100.92603	0.3
114.93436	0.5
116.00803	0.1
116.92880	100.0
116.97215	0.8
117.01952	4.8
117.92889	4.7
147.42754	0.1
165.75858	0.1
200.08736	0.1
207.10277	0.2
209.11836	0.4
210.12457	0.1
211.13406	0.1
220.98413	0.1
253.09311	0.2
291.19638	0.2
434.38974	0.1
571.72327	0.1
793.40674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
59.72727	0.1
59.93754	0.1
61.98834	1.8
70.82899	0.2
70.83267	0.2
71.01388	0.2
73.02950	3.2
75.00864	0.2
76.87610	0.1
78.95896	0.1
78.98621	0.1
80.96523	0.4
88.01133	0.1
99.00883	0.7
99.92594	9.8
100.92609	0.5
114.93433	0.5
116.92878	100.0
116.97285	0.5
117.01955	6.1
117.02803	0.2
117.05581	0.1
117.92883	5.9
118.92665	0.1
131.34227	0.1
164.73335	0.1
182.41988	0.1
196.78993	0.1
277.21790	0.1
293.21140	0.1
387.82089	0.1
397.13681	0.1
471.31442	0.1
541.23883	0.1
793.52350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03450	2.5
58.32080	0.4
59.01382	90.8
60.01712	1.1
61.98833	9.1
66.75227	0.3
68.05004	0.4
69.03474	0.7
71.01389	13.8
71.69135	0.5
71.69514	0.4
72.99329	0.7
73.02958	3.9
75.00877	0.5
78.47359	0.3
78.95944	0.4
80.46076	0.4
80.61353	0.4
83.01366	2.2
83.05046	0.5
84.95134	0.5
85.02966	7.2
87.00897	1.2
88.98822	0.9
89.02449	3.8
95.01382	2.1
95.05043	0.5
96.96033	1.3
97.02981	0.6
97.06606	2.8
99.00896	2.4
99.04531	2.6
99.92591	2.2
101.02459	8.0
101.03081	0.6
102.04803	0.3
109.06618	1.5
111.00909	1.0
112.68113	0.4
113.02474	8.3
114.93379	0.6
116.92879	21.6
117.01992	0.8
117.92902	1.6
119.03533	0.8
124.01662	0.6
125.02459	1.2
137.02441	0.4
143.03543	0.6
151.00392	0.5
151.04036	0.4
159.03038	0.7
161.04610	2.1
165.05582	0.5
165.12866	1.5
167.10725	0.4
168.00562	0.4
169.01503	0.8
171.10292	0.7
171.13939	0.8
181.12311	0.4
183.13966	1.1
184.14232	0.6
190.88644	0.4
199.09662	0.5
199.17078	0.7
207.10265	0.4
207.13907	1.5
209.11835	7.2
210.12271	0.6
211.13396	0.8
225.11368	0.7
225.14989	3.9
226.11743	0.5
227.12903	21.5
228.13254	1.8
243.19682	2.0
269.14114	0.7
287.15018	1.1
300.99789	0.6
301.03244	0.5
355.47632	0.4
359.28085	2.2
405.24741	0.7
503.32199	2.2
521.33362	1.4
773.47113	2.2
780.67267	0.5
791.48291	100.0
792.48718	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	792.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98833	1.5
69.28617	0.2
71.05020	0.6
75.79578	0.2
83.05045	0.4
91.38683	0.2
106.50349	0.2
116.78521	0.2
116.92894	0.3
117.92836	0.2
120.04742	0.2
132.92937	0.2
163.11328	0.2
165.12817	0.2
168.13916	0.3
173.63441	0.2
197.11781	0.3
198.12331	0.2
205.15878	0.2
205.56380	0.2
209.11826	2.7
210.12186	0.7
211.13545	0.2
219.76582	0.2
227.12842	0.9
228.13216	0.2
229.54935	0.2
235.08192	0.3
253.09209	0.6
291.19568	0.4
309.20746	1.4
310.21204	0.9
338.36896	0.2
375.26865	0.2
377.28433	0.3
391.30231	0.4
393.31589	0.3
405.31876	0.3
407.33243	2.2
408.33310	0.4
421.31259	0.3
423.33133	0.9
425.34323	4.2
426.34625	0.8
427.32108	0.4
434.63556	0.2
439.32040	0.8
441.33679	1.0
443.35315	0.6
444.35464	0.3
455.31223	0.2
457.33633	0.3
467.31512	0.3
469.33206	10.3
470.33511	1.2
487.34259	100.0
488.34619	15.0
513.32202	0.5
776.61310	0.2
792.39935	1.2
793.39435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98512	5.8
61.98829	100.0
63.99258	7.8
64.12622	3.2
71.01393	4.4
73.03062	3.0
74.18805	3.1
78.95918	7.5
79.95782	5.2
80.96527	15.9
81.10598	4.2
98.19881	10.8
102.84310	3.1
113.20185	3.8
117.03485	6.3
145.03001	20.6
189.43636	3.0
209.11803	25.9
225.78000	3.9
227.12845	4.9
228.81560	4.3
229.66238	3.3
253.09373	4.3
277.21640	30.4
287.91394	3.7
311.31036	4.1
353.14383	3.0
377.06976	3.4
617.38470	9.9
618.39282	4.2
791.43988	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	791.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	7.5
61.98829	20.6
68.23005	1.3
69.03439	1.3
71.01379	12.8
72.01723	1.2
72.27362	1.0
72.99326	1.3
73.02948	4.2
78.05922	0.9
78.95889	2.3
83.05038	1.5
85.02945	1.7
87.00873	2.2
88.98828	2.4
89.02444	2.9
93.03490	1.1
96.96040	2.0
97.02942	1.2
99.00880	1.2
99.92606	10.1
101.02464	4.0
109.06548	1.4
112.34051	1.0
116.92873	100.0
117.01979	3.3
117.92898	6.1
118.71692	1.2
119.03510	1.3
125.02513	1.3
125.09753	2.0
125.65855	1.2
125.66769	1.1
134.89423	2.9
135.89079	1.2
137.09723	1.3
161.04619	1.3
163.11316	1.7
165.12849	1.6
171.10269	15.8
172.10658	2.4
173.10840	1.9
183.13905	2.1
185.11905	4.3
197.11876	1.5
199.09750	3.4
201.11320	5.9
202.11763	2.4
207.10344	2.7
209.11835	63.9
210.12234	6.8
211.13425	29.7
225.11292	2.6
227.12906	16.1
228.13185	1.7
235.08177	4.0
253.09279	8.5
254.09708	1.4
285.03873	1.3
291.19650	31.8
292.19968	4.8
305.14664	1.2
309.20621	4.0
310.21066	3.6
341.23337	2.7
397.13568	2.5
407.19431	1.5
445.20654	4.1
447.22327	3.6
447.75388	1.2
481.24158	1.2
527.28809	5.0
639.34247	1.5
719.40143	4.0
737.41315	2.5
791.40009	24.6
792.39374	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07949	1.0
59.01373	7.8
61.98836	16.3
71.01385	15.6
73.38039	0.9
78.95914	13.9
80.02679	1.1
80.58665	0.9
80.96532	2.5
81.03469	1.8
82.42190	1.0
83.05042	3.1
85.03008	1.4
87.00879	1.9
89.02466	3.8
95.04987	1.2
95.90150	1.1
97.02981	2.3
98.20657	1.7
101.02471	4.9
103.23415	0.9
109.06597	11.4
111.08188	3.6
113.02457	2.2
114.61901	1.1
116.92860	1.3
123.04538	2.1
135.08180	2.8
141.09332	0.9
145.05072	1.5
152.99658	5.0
161.04607	3.2
161.09738	1.4
163.11327	9.4
167.10828	1.4
169.12361	1.5
171.10291	8.9
179.05614	2.0
179.10771	1.6
181.12379	2.0
185.11858	1.2
191.10829	1.1
195.13925	4.7
197.11893	1.2
199.09802	1.6
201.11371	2.2
207.10287	40.9
208.10617	2.4
209.11833	70.8
210.12230	4.4
210.83914	1.4
211.13324	1.7
214.39755	1.0
223.13419	3.4
225.11308	21.3
226.11778	1.8
227.12900	19.1
228.13383	1.1
229.33504	0.9
235.08252	7.1
243.12401	1.2
253.09285	22.9
254.09648	1.3
275.20084	4.0
291.19647	100.0
292.19962	8.8
293.21222	44.6
293.23688	1.2
294.21658	4.2
309.20810	1.5
327.21735	1.8
445.20386	1.1
461.20251	8.6
462.20255	1.2
463.21265	1.5
527.28601	5.2
528.28271	1.2
694.88934	1.2
705.32617	7.3
706.33990	2.0
735.73309	1.3
737.41089	6.3
738.41608	2.3
773.42157	1.6
791.39355	9.2
792.40619	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	791.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.44403	0.6
57.03448	2.2
59.01380	99.0
60.01714	1.0
61.98829	8.1
65.57327	0.6
69.03487	0.7
69.54661	1.3
69.55072	5.1
71.01388	13.1
72.99329	1.4
73.02953	3.3
75.00851	0.7
81.03442	0.7
83.01390	2.1
83.05031	0.9
85.02968	5.7
86.00121	0.8
87.00882	2.8
89.02477	3.1
95.01425	1.3
95.25315	0.6
96.96014	0.8
97.06627	0.9
98.19943	1.6
99.00874	1.8
99.04535	2.1
101.02456	7.9
108.02202	1.0
109.02976	1.0
109.06609	1.4
111.00923	1.5
113.02466	3.6
116.92136	0.7
116.92834	3.1
117.01997	0.7
119.03568	0.7
121.02975	4.2
123.00928	0.7
123.04549	0.7
123.82208	0.6
125.02475	1.8
145.02980	1.0
147.04581	0.8
159.04567	2.0
165.02013	0.8
165.12846	1.4
169.01430	1.6
175.72205	0.8
178.04266	0.7
181.05119	1.0
202.35393	0.8
207.13931	2.2
209.11868	5.4
225.14969	8.6
227.12895	40.0
228.13263	1.9
240.04433	0.7
255.06476	1.7
263.07056	1.0
267.06604	1.4
268.07446	1.6
269.08203	4.7
269.13953	2.4
270.08939	1.3
281.08209	6.3
282.08856	2.9
283.09778	3.7
287.14960	2.8
293.08087	0.8
295.09784	2.4
296.10471	1.1
299.09283	2.3
300.09830	1.1
311.09335	2.4
312.09995	1.2
314.08179	1.2
314.11603	4.8
315.12262	3.2
325.10834	0.7
326.11526	6.5
327.12183	4.1
329.13919	8.6
330.14444	1.0
341.13892	8.4
343.11899	1.3
355.11871	2.0
367.14273	1.0
368.12997	0.8
385.15125	1.6
458.15738	3.8
459.16537	1.7
470.15930	3.6
471.16763	1.2
473.18436	8.8
474.18518	1.2
476.16772	5.9
477.17480	3.1
485.18100	5.6
486.18515	1.0
488.16833	2.9
489.17490	2.1
491.19229	23.3
492.19623	2.9
503.19196	14.6
504.19833	1.6
533.20325	7.8
543.78845	0.8
545.20129	7.9
546.20618	0.9
563.21582	0.9
743.33466	1.8
755.32996	2.5
761.34271	16.9
762.34485	3.1
773.34265	11.4
774.34436	2.3
778.86237	0.8
791.35229	100.0
791.47827	7.6
792.35541	25.6
792.49689	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	791.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66073	3.7
55.76091	3.9
59.01378	11.0
61.98831	100.0
71.01392	23.2
71.73380	4.7
83.05031	5.5
85.02978	5.3
88.98817	9.8
89.02431	5.6
96.96040	4.7
99.92609	7.8
101.02455	6.8
109.06639	6.4
113.02457	4.9
116.92883	75.3
117.92884	7.9
128.83125	3.5
134.89500	11.9
163.11174	3.6
171.10301	17.9
179.05713	6.2
189.66658	3.6
197.11786	17.6
199.09763	4.9
207.10275	10.4
209.11858	84.8
210.12260	9.7
211.13385	22.8
220.65767	3.7
225.11342	8.5
226.19682	3.7
227.12912	28.7
235.08157	4.5
253.09335	24.1
291.19620	19.0
309.20697	62.2
310.21210	4.8
311.22781	4.7
445.20505	5.4
476.69852	4.2
545.29742	7.8
791.39856	51.9
792.40741	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	791.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48398	0.1
59.01381	2.8
61.98833	0.8
67.49601	0.1
69.03462	0.1
69.89416	0.3
69.89825	0.1
71.01387	0.7
72.99327	0.1
73.02948	3.3
74.99087	0.1
75.00864	0.1
81.30571	0.1
83.01405	0.1
83.05046	0.1
85.02960	0.4
87.00905	0.2
89.02444	0.3
91.26196	0.1
95.01381	0.1
98.20589	0.1
99.00898	0.7
99.92594	8.8
100.92620	0.4
100.93194	0.1
101.02451	0.4
113.02446	0.3
114.93436	0.4
115.00403	0.1
116.03533	0.1
116.92875	100.0
117.01949	5.9
117.92879	5.9
118.02293	0.1
121.02988	0.1
124.68015	0.1
125.02472	0.2
136.01674	0.1
137.02472	0.1
150.03180	0.1
151.04010	0.2
163.11249	0.1
165.05577	0.1
165.12933	0.1
169.01421	0.1
171.10277	0.3
179.03508	0.1
181.05051	0.1
195.06596	0.1
196.87611	0.1
199.09747	0.1
201.11404	0.4
201.12962	0.1
207.10335	0.1
209.11813	1.2
210.12094	0.1
211.13443	0.2
211.91165	0.1
221.11613	0.1
225.11339	0.1
225.14816	0.1
227.12854	0.6
235.08325	0.1
253.09328	0.3
287.15109	0.1
299.04126	0.1
299.14606	0.1
309.20612	0.1
327.21805	0.7
397.13358	0.1
577.20667	0.1
790.47388	0.1
791.48602	2.4
792.48975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00981	0.1
57.10158	0.1
61.98832	100.0
62.98538	0.2
66.76740	0.2
69.59451	1.3
71.01393	0.4
71.78592	0.1
78.95908	0.5
78.98595	0.2
79.95760	0.6
80.96523	3.6
87.00891	0.2
94.98096	0.8
100.47742	0.1
116.92886	0.2
134.97614	0.2
145.31976	0.2
147.95351	0.2
148.99184	0.3
152.98601	0.2
152.99667	0.5
164.98665	0.6
171.91568	0.1
178.57530	0.1
206.99904	0.2
225.00734	1.1
281.24991	0.2
407.38507	0.2
443.79095	0.2
756.93176	0.2
765.56427	0.2
769.13177	0.2
790.41760	1.2
791.42603	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	789.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
56.55230	0.5
57.03440	2.4
58.00592	1.2
59.01382	17.8
60.41823	0.6
61.98834	15.6
69.03450	2.4
70.95799	1.5
71.01388	88.8
71.05032	0.8
72.01721	1.1
72.99307	2.3
73.02956	5.2
75.00866	0.7
78.95929	1.1
80.02682	2.5
81.03463	3.7
83.01399	2.4
83.05034	8.9
84.02177	2.4
85.02959	10.5
87.00879	3.4
88.98786	0.8
89.02454	8.6
91.04035	1.0
93.03468	1.3
95.01419	1.6
95.05040	4.1
96.96029	6.6
96.96988	0.8
97.02952	4.2
97.06607	4.6
99.00904	3.1
99.04555	1.3
99.92601	0.7
101.02457	11.5
109.02936	1.1
109.06602	11.5
111.00916	1.4
111.08169	1.1
113.02459	8.1
114.93433	1.4
116.92879	12.3
119.03535	2.8
119.05099	0.8
121.03001	0.7
121.06591	1.0
123.00939	0.8
123.08170	0.7
125.02477	3.0
125.06094	1.3
125.09742	3.9
127.11329	3.6
133.01459	1.2
133.05090	1.0
135.08188	2.3
137.02466	1.0
137.09717	1.7
139.07692	1.7
143.03499	1.9
145.05069	1.5
147.08159	0.6
151.04060	0.8
151.11380	0.9
153.09193	1.1
155.10802	2.4
161.04585	3.3
161.09738	1.5
163.11298	13.6
165.12836	3.1
167.10768	1.0
167.14383	0.7
169.01373	1.1
171.10286	67.9
172.10649	3.1
177.12851	1.0
179.05638	1.6
179.10796	1.5
181.12367	4.9
183.13951	3.8
185.11836	5.1
189.09232	2.2
191.10863	1.5
193.12378	1.1
197.11852	6.4
199.09877	1.0
199.13448	1.0
201.11337	17.2
207.10278	30.0
208.10638	2.2
209.11841	89.2
210.12132	6.0
211.13394	17.5
212.13829	1.2
215.12880	1.7
221.11813	3.0
225.11336	42.2
226.11688	2.4
227.12871	9.8
229.14465	13.5
230.14864	1.3
235.08237	11.6
239.12918	2.0
243.12381	2.8
247.20607	1.1
253.09296	29.7
254.09691	1.2
255.03107	0.9
285.03836	1.4
287.15076	0.8
291.19720	6.7
295.10123	1.3
307.19058	2.7
309.20697	11.8
310.21460	1.0
325.20071	1.0
327.21762	100.0
328.22113	8.1
329.23120	1.2
357.26288	0.7
371.11514	0.8
391.24814	1.1
407.19318	1.1
443.19269	1.1
461.20261	9.3
462.20480	1.0
479.21439	1.1
545.29327	1.6
563.30719	2.8
727.26587	1.2
753.41931	0.8
771.42090	7.8
772.42334	3.0
789.43567	12.4
790.43500	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	789.43
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
58.00597	1.8
59.01381	16.8
61.98829	23.9
69.03443	2.7
71.01385	71.6
71.70134	1.6
72.99305	2.1
73.02959	4.1
75.00880	1.7
78.95926	2.3
80.02686	2.1
81.03472	4.0
82.95403	1.3
83.01413	2.2
83.05038	8.0
85.02953	4.6
87.00889	4.6
88.98798	2.7
89.02461	9.9
95.01372	1.3
95.05042	1.7
96.96037	5.7
97.02961	5.5
97.06607	4.4
99.00895	2.1
99.04466	1.3
99.92605	3.1
101.02451	10.9
104.40632	1.3
109.06612	5.1
111.08162	2.7
113.02467	5.5
114.93401	5.8
115.00361	2.0
115.92085	1.8
116.92876	16.0
117.92916	1.2
119.03534	3.9
119.05065	1.8
122.01951	1.1
123.04507	1.4
123.08184	1.9
125.02454	2.4
125.06039	1.4
125.09727	9.5
127.11318	6.0
135.08200	2.7
135.49782	1.2
137.09731	4.0
143.03568	1.9
145.02998	2.1
149.04399	1.5
151.11336	1.4
155.10812	1.7
157.05113	1.1
161.04564	3.9
163.11328	11.0
165.09264	1.2
165.12859	6.5
169.12363	3.4
171.10280	68.0
172.10611	3.9
173.38272	1.2
179.05608	1.9
179.10732	1.7
181.12360	3.5
181.72824	1.3
183.13907	2.7
185.11823	6.7
191.10765	1.8
191.14435	3.6
193.12309	1.4
197.11835	21.9
198.12177	1.6
199.09784	8.8
199.13440	2.8
201.11322	64.9
202.11653	2.6
207.10243	14.6
209.11835	100.0
210.12157	6.6
211.13422	8.0
215.12862	1.2
225.11330	19.6
225.15042	2.3
226.11780	2.7
227.12885	14.7
235.08148	7.8
239.12988	1.2
245.19054	4.3
253.09312	29.2
254.09738	2.4
255.02975	2.4
263.20084	2.4
285.04034	5.6
289.18030	20.6
291.19644	25.7
292.20016	2.5
299.99051	1.2
300.02707	2.0
301.03360	1.3
307.19144	19.3
308.19601	2.5
309.20724	44.6
310.21121	3.7
327.21765	5.0
343.24863	9.9
435.18903	1.4
443.19019	1.3
461.20325	3.8
487.34302	1.6
671.27655	1.3
753.41028	4.3
771.42145	2.1
789.43481	7.3
790.43823	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	789.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54095	1.9
59.01365	8.2
61.98831	100.0
69.03474	2.1
69.38570	12.4
69.39006	8.6
71.01386	45.7
78.95898	9.7
80.96514	3.4
83.05019	2.8
85.02937	5.5
87.00879	3.0
89.02491	3.2
97.02973	2.5
97.06596	2.6
101.02472	3.5
105.66943	2.0
109.06611	5.3
113.02451	4.4
116.92865	2.7
151.11214	2.3
163.11284	2.9
171.10289	20.0
179.10777	3.1
181.12317	3.0
183.13861	5.0
197.11766	2.1
201.11298	4.9
207.10205	12.4
208.10689	3.5
209.11839	63.5
210.12105	5.2
211.13371	7.9
213.11121	2.2
225.11273	11.9
227.12877	19.2
229.14467	2.6
235.08211	6.0
245.19272	3.3
253.09296	12.4
289.18030	8.4
291.19635	4.3
307.19070	13.1
309.20660	3.4
311.22226	3.7
327.21927	19.1
410.36453	2.2
445.20694	4.0
461.20013	4.2
686.17419	2.5
735.39185	3.0
789.38220	15.3
790.38477	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	789.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
61.98832	89.8
62.98534	0.8
63.96228	1.8
63.99260	0.8
69.03488	0.7
71.01385	9.9
72.99293	0.9
73.02947	2.2
78.95918	2.0
78.98595	9.4
79.95744	15.4
79.99446	0.6
80.96525	100.0
81.03458	1.0
83.01405	0.8
85.02963	3.5
87.00907	3.5
94.98099	22.6
96.96024	2.5
97.02976	2.5
97.30001	0.5
99.00884	0.9
99.04536	0.6
101.02441	3.7
106.98113	4.4
113.02432	1.0
122.97580	4.8
125.02477	4.5
127.03974	1.0
134.97594	6.9
136.99170	2.2
138.97087	0.8
148.99178	6.6
152.98643	7.1
152.99709	0.8
164.98650	16.9
167.00275	0.7
179.93001	0.6
188.98624	0.9
190.27203	0.7
206.99689	4.4
209.11819	2.0
225.00729	28.2
226.00957	1.0
277.01294	0.7
279.23245	1.9
279.88028	0.6
283.05020	0.7
389.28690	0.7
460.59497	0.6
509.17001	3.7
537.65540	0.8
561.27649	1.2
565.94690	0.6
789.41223	93.6
790.41541	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	789.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
57.03443	2.5
58.00593	0.7
59.01379	83.9
59.15197	0.5
60.01714	1.2
60.99295	0.6
61.98505	1.4
61.98830	28.7
69.03463	1.1
69.50989	6.6
71.01378	13.3
72.99309	0.9
73.02955	14.3
75.00896	0.9
79.05526	0.7
79.95758	0.8
80.96514	1.3
81.03420	1.0
83.01393	87.1
83.05044	1.4
84.01727	1.9
85.02956	3.4
87.00885	1.6
88.98846	1.5
89.02460	2.2
93.03481	1.8
95.01408	0.8
96.96024	4.6
97.06607	2.0
99.00915	0.8
99.04533	2.9
101.02451	7.9
108.02196	1.2
109.02941	1.6
109.06586	2.3
111.04566	0.8
113.02470	3.2
116.92854	4.4
119.03568	1.1
121.02962	14.5
122.03765	18.0
123.00910	2.0
123.04556	8.0
124.01687	1.1
125.02455	2.2
131.03487	0.7
135.04539	2.0
136.01675	1.4
136.05296	4.6
137.02502	4.2
137.06107	11.0
137.09776	0.6
138.03215	0.7
143.03500	1.2
143.74776	0.6
145.02911	0.8
146.03766	0.8
147.04541	8.5
149.02458	1.0
149.06120	1.1
150.03232	2.5
150.70898	0.7
151.03998	2.4
153.01996	0.9
154.02701	0.7
161.02428	1.4
161.04762	0.9
161.06090	4.1
162.03340	0.8
162.06888	1.8
163.04134	1.0
163.64058	0.6
165.05550	1.9
165.12822	1.3
167.10759	3.6
168.04333	0.9
169.01427	1.6
171.10278	8.0
175.04012	0.7
175.07588	0.8
176.04782	0.7
179.07011	0.7
189.05643	0.8
189.12843	0.7
191.07185	0.8
195.06627	1.6
198.30606	0.6
205.05132	1.0
207.10260	1.8
207.13887	2.9
209.08376	3.9
209.11842	14.4
210.12189	1.1
211.13455	1.6
221.08218	7.4
223.13370	1.0
225.11336	2.8
225.14948	8.8
227.12895	41.5
228.13193	3.4
229.14532	1.5
233.11789	2.1
235.08188	1.5
251.12933	3.4
253.09303	3.0
269.13907	7.5
287.14981	15.0
288.15335	1.1
298.12234	1.6
300.02658	0.9
309.20761	1.2
311.14981	1.2
313.14377	3.4
324.10266	0.7
327.12445	1.6
327.21777	6.4
329.16226	1.4
342.07126	1.2
342.11081	17.1
342.15189	1.0
343.11783	11.0
343.21136	3.6
353.16043	0.8
357.13422	100.0
358.13730	10.1
371.16922	2.3
413.17905	1.2
417.15466	0.9
431.19250	12.4
432.19485	1.1
491.19095	0.8
501.17648	1.5
519.18536	1.9
556.03076	0.7
561.19855	3.2
563.30402	1.1
771.32214	5.9
772.32147	1.4
789.33484	85.9
790.33826	21.4
790.44904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98830	100.0
62.98532	0.2
63.99258	0.3
71.01392	0.6
71.42368	0.3
73.02963	0.1
76.28512	0.1
78.95934	0.4
78.98600	0.4
79.95730	0.7
80.96519	4.0
82.96108	0.2
87.00886	0.2
88.98828	0.4
89.02460	0.2
94.98090	1.0
97.02943	0.1
97.85207	0.1
103.21024	0.1
106.98117	0.2
116.92884	0.1
118.05524	0.1
120.63713	0.1
122.97629	0.1
125.02459	0.3
134.97606	0.2
144.88727	0.1
148.99208	0.3
152.98598	0.3
164.98666	0.6
164.99837	0.1
206.99635	0.2
209.11848	0.2
225.00790	1.2
226.01320	0.1
229.81706	0.1
244.72569	0.1
278.21893	0.1
279.23257	0.3
280.70883	0.1
342.23013	0.1
432.55530	0.1
540.81616	0.1
788.39844	2.4
789.40747	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	788.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
59.01379	13.8
61.98831	19.0
63.96217	0.4
66.46344	0.3
69.03455	0.3
70.51817	0.3
71.01382	3.8
73.02942	0.6
78.95911	18.6
78.98593	1.7
79.95744	4.1
79.96174	0.4
80.02685	0.5
80.96524	21.6
81.03473	0.8
81.96488	0.5
82.96114	1.2
83.01404	0.9
83.05036	2.4
84.02171	0.4
85.02951	0.9
87.00887	0.9
88.71943	0.3
94.98098	4.9
95.05042	0.4
96.96973	0.7
97.02979	0.7
98.20549	0.7
101.02464	0.9
106.98102	0.9
122.97589	1.0
122.98508	0.3
125.00098	1.1
125.02455	1.2
125.09759	0.6
126.13024	0.3
134.09886	0.3
134.97566	1.4
135.08150	0.3
136.99152	0.4
140.77106	0.3
148.99188	1.0
152.98613	1.3
152.99698	2.7
163.11314	1.6
164.98622	2.7
165.12856	0.7
165.98943	0.3
168.04318	3.6
171.10370	0.4
181.12361	0.4
191.10768	0.9
206.99734	0.8
207.10286	0.5
209.11841	23.4
210.12071	1.6
223.09680	0.3
223.13406	0.8
224.06894	1.9
225.00739	5.4
225.11273	0.4
226.00995	0.6
227.00513	0.3
227.12895	2.9
241.14441	3.2
252.67522	0.3
261.22162	0.4
279.23282	100.0
280.23642	10.8
301.23868	0.4
309.20749	0.4
329.24872	0.3
363.12112	0.6
413.07468	0.4
434.19601	0.4
452.20340	1.2
453.21057	0.6
454.34323	0.4
466.21811	1.1
486.36731	0.4
504.30789	0.5
510.17267	0.4
560.26691	0.3
643.36298	1.2
669.37939	0.5
714.43665	55.3
715.44061	11.6
715.53979	0.2
728.45245	5.5
729.44733	1.2
786.95288	0.3
788.39954	24.0
789.40045	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	788.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.1
61.98830	100.0
62.98535	0.3
62.99261	0.1
63.99268	0.4
71.01385	0.3
71.17995	0.1
73.02965	0.1
78.98627	0.1
79.95722	0.3
80.96519	1.6
82.96091	0.1
94.98077	0.4
96.97736	0.1
101.02449	0.1
106.98123	0.1
122.97644	0.1
125.02495	0.1
127.50614	0.1
134.97552	0.1
136.99196	0.1
148.99187	0.2
152.98672	0.2
164.98676	0.3
165.12907	0.1
183.13924	0.6
184.14262	0.4
185.14543	0.1
225.00751	0.4
266.19800	0.1
277.21811	0.1
278.22128	0.1
279.22534	0.1
473.29022	0.1
488.30066	0.1
618.09186	0.1
699.23871	0.1
723.44202	0.1
725.44055	1.1
726.45020	0.2
788.39978	0.8
789.41095	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	788.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98548	0.2
62.99271	0.1
70.58867	0.1
71.01395	0.1
78.95920	0.1
79.95746	0.2
80.96521	1.0
85.02911	0.1
85.10754	0.1
94.98117	0.2
109.36040	0.1
123.98952	0.0
134.97696	0.1
148.99165	0.1
152.98624	0.1
164.98689	0.2
196.65103	0.1
209.11812	0.1
216.59026	0.1
225.00726	0.4
279.23422	0.1
329.64539	0.1
509.16971	0.1
725.44244	0.1
788.40106	0.3
789.41107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91552	0.1
59.01373	0.2
61.76459	0.1
61.98830	100.0
62.98535	0.2
67.87732	0.1
68.98175	0.1
71.01388	1.1
71.67790	0.2
78.95918	0.4
80.96542	0.1
85.03001	0.1
87.00925	0.1
89.02495	0.1
96.36909	0.1
101.02431	0.2
109.06609	0.2
113.02487	0.1
116.92899	0.1
117.58720	0.1
121.02976	0.2
122.03339	0.1
125.02456	0.1
146.67848	0.1
152.99651	0.2
169.12387	0.1
171.10266	0.5
176.99504	0.1
181.12381	0.1
183.13977	0.2
197.11806	0.4
198.12238	0.3
199.12450	0.1
199.83763	0.1
201.11189	0.1
207.10304	0.4
209.04663	0.1
209.11954	0.3
210.04974	0.1
210.12164	0.1
211.13429	0.3
225.11436	0.3
227.12932	0.1
231.65546	0.1
235.08194	0.1
253.09491	0.2
264.97540	0.1
285.39926	0.1
291.19565	0.2
307.19156	0.1
309.20825	0.2
310.21301	0.1
327.21802	0.3
341.23773	0.1
358.31683	0.1
607.05341	0.1
788.46332	0.1
789.45264	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	787.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03456	1.8
58.00607	0.9
59.01386	12.7
61.98837	14.2
66.91692	0.7
69.03450	1.9
71.01388	15.7
71.05030	1.3
72.99329	1.5
73.02960	3.4
75.00880	1.0
78.95927	1.4
80.91702	0.7
81.03451	1.4
81.45890	0.8
83.01401	1.8
83.05038	2.5
84.02165	3.6
85.02963	2.7
87.00891	7.4
88.98831	0.8
89.02464	5.8
95.01366	0.8
95.05080	1.0
96.96027	16.3
96.96953	0.6
97.02979	3.3
97.06609	8.3
99.00896	8.0
99.04519	2.0
101.02458	9.3
109.06598	1.7
111.00832	0.7
111.04513	1.1
111.08176	2.7
113.02470	6.4
113.66664	0.6
116.92864	3.6
119.03512	1.2
123.04578	0.7
123.08154	0.9
125.02468	1.0
125.09759	4.9
127.07558	0.6
127.11318	1.3
128.90181	0.7
131.03543	1.0
133.05095	0.8
135.08182	1.6
137.09735	1.4
140.48550	0.7
145.05106	1.2
149.09663	0.7
151.11255	1.6
155.10912	1.1
161.04593	3.9
163.11302	3.6
165.12865	9.4
169.12329	4.1
171.10301	26.3
172.10641	1.5
179.05513	1.2
179.10869	0.9
181.12437	4.1
183.13930	100.0
184.14294	5.4
185.11871	1.3
187.09813	1.5
191.10759	0.8
191.14499	0.8
193.12363	6.5
193.58746	0.7
196.69550	0.7
197.11848	7.8
198.12206	1.0
199.13435	2.0
201.11356	2.9
207.10295	6.7
208.10649	1.2
209.11868	15.3
210.12079	1.0
211.13443	4.4
213.11339	1.8
215.12943	0.9
221.11884	1.1
223.09824	2.0
225.11397	8.3
225.14951	10.5
226.11656	0.7
227.12923	7.0
228.13089	0.9
229.86926	0.8
235.08278	5.2
239.12933	0.7
243.12404	2.8
243.16010	5.8
245.18973	0.6
253.09305	11.1
253.14523	0.7
289.18079	2.6
291.19635	5.0
305.17661	0.8
307.19150	2.4
309.20715	9.6
310.21277	0.9
327.21994	0.9
341.23337	28.5
342.23792	3.3
445.20551	2.0
461.19882	1.1
463.21899	3.3
479.21518	0.9
487.34457	0.9
741.39563	0.7
769.41156	4.1
770.40613	1.1
787.45160	95.1
788.45514	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
58.00594	0.4
59.01111	0.6
59.01381	5.3
61.67191	0.3
61.69593	0.3
61.98544	0.7
61.98832	6.2
69.03472	1.0
70.01740	1.9
71.01389	8.6
72.99297	0.4
73.02941	1.5
75.00864	0.6
78.95936	0.6
80.02692	1.6
81.03481	1.2
83.01389	0.7
83.05033	5.2
84.02168	1.1
85.02956	1.6
87.00879	1.9
88.98824	0.5
89.02462	3.4
95.05034	0.7
96.96017	1.0
97.02968	3.1
97.06592	1.7
98.20636	0.4
99.00910	0.7
99.92608	0.9
101.02452	5.0
109.06596	0.7
111.08171	3.7
113.02470	2.8
116.92892	4.3
119.03519	1.2
119.27482	0.5
121.02956	0.5
123.04582	0.7
123.08148	0.7
125.02438	0.6
125.06114	0.9
125.09736	4.2
135.08202	0.8
137.09703	0.9
143.03558	0.5
145.05156	0.5
151.11337	0.9
153.09250	0.4
153.12886	0.4
155.10782	0.4
161.04601	2.5
163.11313	4.6
165.12891	3.9
166.09982	0.4
169.12344	4.2
170.12741	0.4
171.10269	7.4
171.92583	0.3
179.05627	0.7
179.10812	0.8
181.12335	2.0
183.13927	1.6
185.11835	0.9
187.09715	2.2
191.10822	1.0
193.12346	0.5
197.11848	19.5
198.12202	1.2
199.09802	0.9
199.13405	1.7
201.11353	1.5
205.08553	0.5
207.10339	2.1
209.11841	100.0
210.12170	6.0
211.13397	4.0
213.11412	0.6
223.09795	1.5
223.13260	0.6
225.11269	2.7
227.12888	14.2
228.13261	0.8
235.08252	4.9
243.12422	0.7
245.19069	0.7
247.20641	1.2
249.15175	0.4
253.09264	14.6
254.09633	0.9
263.20212	1.2
270.73441	0.5
273.18591	0.7
289.18121	1.5
291.19659	17.9
292.20001	1.7
307.19278	1.8
309.20712	44.2
310.21030	4.3
353.60678	0.4
423.18790	0.9
433.20895	0.7
445.20895	2.3
461.20261	0.5
463.21588	0.5
463.46872	0.4
501.32281	0.7
527.28528	0.6
533.60504	0.4
545.29675	2.0
546.29791	0.4
625.06885	0.4
715.39532	0.4
741.40698	0.5
751.10724	0.4
769.40833	1.1
787.40472	1.5
788.40912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03446	2.5
58.00592	0.6
59.01380	9.5
59.41119	0.4
60.04940	0.4
61.98830	52.0
63.99247	1.2
67.01897	0.5
69.03455	6.0
71.01380	8.3
71.05036	2.1
71.70605	0.5
71.71030	0.6
72.99306	1.1
73.02953	1.6
75.00877	0.7
76.38325	0.4
78.95914	1.0
79.95725	0.6
80.02713	0.5
80.96516	1.7
81.03450	0.6
82.96091	0.4
83.01403	1.3
83.05030	1.7
83.56960	0.4
85.02960	7.3
87.00886	1.7
88.98808	1.4
89.02450	4.1
94.98074	0.7
95.01412	1.2
95.05034	0.8
95.67669	0.4
96.96025	5.9
96.96949	0.4
97.02957	1.9
97.06605	3.1
99.00893	1.2
101.02455	5.9
107.34740	0.5
109.02971	0.7
109.06582	0.6
111.04512	0.5
111.08173	0.6
113.02466	3.7
114.93415	1.7
116.92882	2.9
116.93552	0.4
117.01909	0.4
119.03510	1.4
121.02995	0.6
121.48827	0.4
123.08174	1.5
124.01672	0.4
125.02464	2.0
125.09713	2.7
127.11333	0.5
131.03580	0.5
135.08179	0.4
137.09770	1.9
141.01823	0.5
143.03511	0.5
145.05014	0.5
149.09741	0.6
151.03925	0.5
151.11270	2.0
153.12852	1.4
155.10809	0.8
161.04549	1.7
161.06085	0.6
161.09749	4.1
163.11250	0.8
165.01927	0.5
165.12848	0.7
169.01425	1.3
171.10286	20.3
172.10609	1.3
177.12834	0.7
179.05653	0.9
179.10768	5.8
181.12299	0.5
183.13925	2.7
185.11859	0.9
193.12357	0.9
197.11836	66.0
198.12125	4.3
201.11325	1.5
202.62259	0.4
207.10327	1.1
209.11841	8.6
211.13420	9.2
212.13716	0.5
221.11827	1.6
223.09753	1.4
225.11324	1.1
227.12889	2.0
229.14461	5.4
233.58960	0.4
235.08279	1.0
239.12889	1.2
241.10791	3.6
241.14542	0.6
253.09221	4.2
253.78386	0.4
287.22247	1.3
291.19629	1.9
300.99832	0.7
305.17776	0.8
309.20615	1.2
327.21762	14.9
328.22101	1.1
341.23343	0.8
367.37582	0.5
371.11362	0.8
372.11676	0.8
381.87756	0.5
399.19760	0.5
404.34552	0.4
457.01944	0.6
459.18579	0.6
477.20068	1.9
675.34009	0.5
727.43524	0.6
787.41553	100.0
788.41858	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74589	0.5
55.01872	1.1
57.03455	2.6
58.00599	1.3
59.01382	12.9
61.98835	18.4
63.62957	0.5
67.01894	0.5
68.99835	1.6
69.03466	3.3
71.01386	100.0
71.05028	1.5
72.01717	1.5
72.99322	2.8
73.02956	4.3
75.00873	1.8
76.36023	0.5
77.92679	0.5
78.95924	1.0
80.02699	0.8
81.03462	2.5
83.01400	3.4
83.05045	3.7
85.02957	3.6
87.00883	23.5
89.02456	5.3
93.03477	0.8
95.01407	1.0
95.05043	2.8
97.02962	8.5
97.06604	4.9
99.00921	1.6
99.04538	0.7
101.02457	8.4
106.04279	0.8
107.05067	1.3
108.02216	0.8
109.02953	0.6
109.06612	10.9
110.03767	1.2
111.00890	0.9
111.04529	6.5
111.08189	2.2
112.98605	0.9
113.02467	4.3
119.03523	1.3
119.08706	0.8
119.20158	0.6
121.03033	0.9
121.06586	1.7
122.03761	1.6
123.04582	4.0
123.05418	0.7
123.08184	2.5
125.02485	0.6
125.06109	1.5
125.09742	11.3
126.10178	0.5
126.44872	0.5
127.07707	0.5
127.11324	2.4
133.06625	0.5
135.08165	3.1
137.09755	3.5
139.07690	0.7
139.11285	1.0
142.02707	1.7
143.03493	1.0
145.05103	1.8
149.09772	1.0
151.11246	3.2
153.09254	1.8
155.10797	1.5
157.57700	0.5
161.04561	2.4
161.09737	5.0
163.11298	8.6
165.09229	1.6
165.12851	3.7
166.09850	0.6
167.10808	1.6
169.12363	1.6
171.10287	32.7
172.10637	1.6
177.09230	2.7
177.12750	0.6
179.10782	6.5
179.14354	1.1
181.08789	1.0
181.12291	4.3
183.13898	1.1
185.11861	6.6
187.09818	4.0
189.09198	1.0
189.88989	0.6
191.10786	0.7
191.14467	1.8
193.12360	1.3
195.10252	1.6
197.11841	7.4
198.12245	0.8
199.09816	2.8
199.13403	3.4
201.11346	13.8
202.11726	0.7
205.08699	11.3
206.09219	1.0
207.10271	21.2
208.10674	1.3
209.11850	10.2
211.13411	3.2
213.11317	5.0
215.12929	2.2
221.11870	1.0
223.09752	25.2
224.10184	1.1
225.11322	17.0
225.13515	1.1
226.11765	0.9
227.12924	3.2
235.08195	3.4
237.11400	0.8
241.10767	2.5
243.12349	1.6
245.19159	3.8
247.20682	1.8
252.11986	0.7
253.09265	11.4
254.09489	0.7
263.19858	0.7
271.17270	0.6
273.18686	1.5
289.18124	9.5
290.18280	0.6
291.19669	21.0
292.20053	2.4
307.19177	6.5
309.20718	19.2
310.21002	1.5
459.18732	2.7
461.20276	2.2
477.19968	1.7
479.21552	0.7
715.38989	0.8
751.39526	2.2
769.40729	2.1
787.41107	3.0
795.79529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37011	1.4
55.58415	1.3
57.03440	2.7
59.01384	14.3
61.98833	47.6
64.26359	1.3
71.01390	31.5
72.99323	2.3
73.02955	4.3
78.95922	4.4
80.96546	2.8
81.03477	3.0
83.01385	1.4
83.05035	3.4
85.02964	6.5
87.00896	5.6
89.02465	6.9
95.01383	1.6
96.49519	1.4
97.02959	6.0
97.06618	4.2
98.19881	5.2
99.00886	1.8
101.02452	7.6
108.09270	1.5
108.66964	1.3
109.06611	15.2
111.08167	2.7
113.02473	5.3
119.03560	1.5
121.06622	2.2
125.09738	4.8
135.08171	2.8
142.02693	1.9
145.05173	1.5
161.04587	4.1
163.11301	9.5
165.12883	10.5
171.10274	18.9
172.10530	1.9
179.10774	1.8
181.12352	3.6
183.13919	100.0
184.14281	5.2
185.11809	2.5
189.09329	2.0
189.46126	1.5
197.11862	6.8
199.09807	3.6
199.13412	2.2
201.11407	3.8
207.10286	40.2
208.10631	4.5
209.11839	18.4
211.13423	15.3
211.80550	1.7
223.09744	2.3
223.13348	4.1
225.11331	26.8
227.12949	13.1
229.64711	2.0
235.08266	6.9
243.12483	1.5
253.09320	14.3
291.19806	3.1
307.19205	3.6
309.20630	3.4
329.24863	1.7
360.25409	1.7
373.23721	5.3
391.24988	6.7
445.20642	2.7
461.20401	9.0
463.21692	12.0
521.96985	1.4
609.32825	1.5
617.31799	3.0
627.33972	4.2
645.31244	2.7
653.32043	3.6
671.32904	30.9
672.33551	5.3
762.47919	1.8
787.41034	9.3
788.41217	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	787.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87448	0.4
57.03436	0.6
58.49304	0.5
59.01374	2.0
61.66301	0.5
61.98831	100.0
62.98540	0.7
63.96252	1.3
63.99261	0.9
69.03442	0.6
71.01382	11.6
73.02957	1.7
75.00883	0.8
75.68819	0.5
75.88723	0.4
78.95899	5.0
78.98594	5.7
79.95741	11.9
80.96524	68.9
81.03477	1.3
83.01390	0.6
85.02975	2.3
87.00873	4.4
94.98096	15.2
95.01412	0.7
96.96001	1.0
96.96970	0.9
97.02967	1.4
98.20724	1.1
99.00901	0.9
100.73402	0.4
101.02465	3.3
101.03040	0.6
106.98087	3.5
109.06565	1.0
111.04600	0.5
111.08173	0.5
113.02475	0.6
122.97598	2.9
125.02435	3.0
125.09737	0.9
127.04010	0.7
134.97595	4.7
136.99190	1.6
143.03484	0.5
148.99149	6.1
152.98618	5.6
152.99654	0.9
161.09767	0.4
163.11298	0.9
164.98651	11.6
165.12833	0.5
171.10271	2.8
181.12375	0.6
185.11929	0.7
197.11893	2.1
201.11392	0.9
205.08691	0.6
206.99626	2.5
207.10269	1.7
209.11774	3.9
211.13400	0.7
223.09697	1.3
225.00749	17.7
225.02957	1.1
225.11354	1.4
226.01120	0.7
227.12973	0.6
241.14516	0.5
253.09309	1.0
277.21719	1.9
278.22189	0.6
279.23407	2.9
291.19711	0.9
295.22781	0.7
296.23090	0.9
309.20648	1.5
314.06750	0.5
509.16989	2.3
559.26013	1.5
626.85010	0.7
714.43634	2.6
787.39575	70.8
788.39911	18.5
788.53937	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01385	1.8
61.98832	21.4
63.96239	2.1
64.97021	0.3
65.28835	0.2
69.03464	0.8
71.01385	10.6
71.42354	0.6
72.99300	0.5
73.02952	2.1
78.95908	1.6
78.98133	0.2
78.98600	8.3
79.95742	17.5
80.96523	100.0
81.03477	1.1
81.96461	0.4
83.01385	0.6
83.05049	0.4
85.02959	3.3
86.33940	0.2
87.00883	3.8
91.58846	0.2
93.97299	0.2
94.98097	20.9
96.96029	1.9
97.02946	1.9
99.00887	1.1
99.03305	0.2
99.04562	0.5
101.02457	3.2
105.02535	0.2
106.98094	4.6
113.02441	0.8
122.97603	4.5
125.02469	4.2
125.93273	0.3
127.04017	1.4
134.97603	6.7
136.99165	2.0
138.07211	0.3
143.03464	0.3
146.97632	0.5
148.99156	7.9
149.99474	0.2
150.84151	0.2
152.97420	0.5
152.98639	8.2
157.28445	0.2
161.04596	0.4
163.11324	0.4
164.98645	16.9
165.98862	0.4
167.00204	0.9
169.01501	0.3
179.00266	0.3
182.99615	0.3
188.98677	0.5
206.99663	4.2
209.11836	3.9
223.09749	0.4
225.00748	24.8
226.01074	1.2
243.01852	0.3
243.12128	0.2
277.21802	1.2
278.21909	0.3
279.23276	1.2
281.03601	0.3
283.04889	0.6
290.54266	0.3
309.81613	0.3
402.50021	0.2
509.16953	2.0
510.16809	0.3
559.25964	1.9
560.26105	0.4
714.43750	1.4
787.39661	95.2
788.40033	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	787.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
61.98835	2.1
63.02391	0.8
65.00323	1.3
71.01387	1.3
72.99313	0.4
73.84692	0.2
75.81911	0.3
78.95924	0.4
83.01399	1.2
85.02973	0.3
87.00883	0.6
88.98800	0.3
89.02451	1.0
89.65235	0.2
92.87678	0.3
93.03461	0.5
95.01414	0.6
96.96003	1.5
99.00858	0.3
101.02451	0.8
107.01406	3.7
108.02172	0.3
109.02986	1.8
111.00916	0.5
113.02481	0.5
116.92860	0.4
117.03465	0.3
119.05066	0.3
121.02948	0.3
121.38768	0.3
123.00874	1.2
124.01658	2.0
125.02454	3.0
135.00850	0.4
136.01694	0.4
137.02472	6.4
138.02789	0.3
145.02989	1.0
149.02422	0.4
150.03217	0.8
151.00391	14.3
152.01039	1.0
153.01982	0.3
158.13704	0.3
159.04521	0.6
161.02428	0.6
163.00386	1.6
164.01184	2.0
165.01949	1.1
165.05594	0.9
167.03464	0.4
169.01468	3.3
170.01785	0.3
171.04462	0.3
177.02000	0.7
178.99883	12.5
180.00252	0.4
181.15421	0.3
187.03958	0.7
189.01924	0.3
190.02614	0.3
190.99901	0.4
191.05475	0.4
192.00655	1.0
193.01395	0.7
203.03535	1.2
204.04294	0.5
214.02701	5.0
215.03346	1.1
220.11879	0.3
227.03517	1.1
231.02818	0.5
232.03796	0.7
242.02187	4.4
243.02950	2.7
244.03592	0.6
255.02966	0.4
259.02460	5.4
260.02963	0.5
270.01697	5.9
271.02460	35.4
272.02832	2.7
275.01947	0.3
275.86118	0.3
285.04224	0.4
287.01968	20.9
288.02539	2.9
297.11926	0.5
299.02029	1.0
300.02759	0.4
300.99860	0.5
315.01572	3.1
316.02246	100.0
317.02948	42.9
318.03397	2.7
329.02942	0.6
335.17172	0.6
479.08282	23.9
480.08615	2.5
489.23410	0.5
617.09442	0.4
625.12128	86.3
626.12488	15.7
635.25897	0.3
641.13782	3.2
642.14252	0.9
787.17499	4.3
787.30835	1.1
788.17615	1.1
790.24518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87448	0.4
57.03436	0.6
58.49304	0.5
59.01374	2.0
61.66301	0.5
61.98831	100.0
62.98540	0.7
63.96252	1.3
63.99261	0.9
69.03442	0.6
71.01382	11.6
73.02957	1.7
75.00883	0.8
75.68819	0.5
75.88723	0.4
78.95899	5.0
78.98594	5.7
79.95741	11.9
80.96524	68.9
81.03477	1.3
83.01390	0.6
85.02975	2.3
87.00873	4.4
94.98096	15.2
95.01412	0.7
96.96001	1.0
96.96970	0.9
97.02967	1.4
98.20724	1.1
99.00901	0.9
100.73402	0.4
101.02465	3.3
101.03040	0.6
106.98087	3.5
109.06565	1.0
111.04600	0.5
111.08173	0.5
113.02475	0.6
122.97598	2.9
125.02435	3.0
125.09737	0.9
127.04010	0.7
134.97595	4.7
136.99190	1.6
143.03484	0.5
148.99149	6.1
152.98618	5.6
152.99654	0.9
161.09767	0.4
163.11298	0.9
164.98651	11.6
165.12833	0.5
171.10271	2.8
181.12375	0.6
185.11929	0.7
197.11893	2.1
201.11392	0.9
205.08691	0.6
206.99626	2.5
207.10269	1.7
209.11774	3.9
211.13400	0.7
223.09697	1.3
225.00749	17.7
225.02957	1.1
225.11354	1.4
226.01120	0.7
227.12973	0.6
241.14516	0.5
253.09309	1.0
277.21719	1.9
278.22189	0.6
279.23407	2.9
291.19711	0.9
295.22781	0.7
296.23090	0.9
309.20648	1.5
314.06750	0.5
509.16989	2.3
559.26013	1.5
626.85010	0.7
714.43634	2.6
787.39575	70.8
788.39911	18.5
788.53937	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
61.44893	0.4
61.98837	2.0
63.02419	0.7
65.00330	1.0
71.01396	2.0
72.99320	0.5
82.81775	0.4
83.01413	1.2
85.02980	0.6
87.00896	0.5
89.02428	0.9
95.01359	0.5
95.48471	0.5
96.96025	1.0
98.20643	0.8
101.02445	0.8
107.01401	3.6
109.02970	2.2
117.03539	0.6
120.99708	0.7
123.00866	0.9
124.01723	2.2
125.02518	2.2
130.97328	0.4
135.00916	0.6
137.02463	6.7
145.02965	1.4
150.03267	0.8
151.00395	14.8
152.01103	0.8
155.46341	0.4
163.00395	2.0
163.03972	0.6
164.01141	1.9
165.01945	1.1
165.05606	1.3
167.03535	0.4
169.01459	2.7
177.02061	0.8
178.99873	12.7
180.00313	0.5
181.04955	0.4
183.13962	0.4
187.03952	0.6
190.99919	1.0
191.05569	1.2
192.00650	1.4
193.01447	0.5
195.06596	0.6
195.70790	0.5
196.07735	0.4
203.03513	1.2
204.04105	0.8
210.15727	0.4
214.02782	4.6
215.03281	1.0
217.01131	0.4
219.03036	0.7
227.03630	0.7
229.01361	0.4
232.03841	0.9
242.02199	5.2
243.03001	2.6
259.02438	5.4
260.02817	0.8
270.01636	6.2
271.02472	34.6
272.02740	2.7
273.13956	0.5
287.01984	19.8
288.02567	3.2
297.11835	0.8
299.02023	0.6
300.99860	1.2
315.01440	3.0
315.04980	0.9
316.02249	100.0
317.02948	42.1
318.03363	2.2
335.17108	0.5
335.41287	0.5
479.08301	24.3
480.08826	2.9
625.12140	86.9
626.12451	17.1
641.13660	4.2
642.14148	0.6
787.17633	4.4
787.30310	0.9
788.17676	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	787.1029
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
55.34502	0.3
59.01382	1.7
61.98820	0.5
65.00304	0.6
67.01891	0.8
68.99799	0.3
69.03452	1.6
69.57921	2.0
69.58334	1.0
71.01399	2.5
72.99303	0.9
73.02972	0.4
76.13976	0.3
79.01914	1.1
81.03485	0.9
83.01388	0.9
85.02974	1.5
87.00912	0.9
93.03477	0.7
95.01402	5.0
96.99355	0.4
97.02959	2.6
98.19836	0.5
99.00874	0.4
101.02464	1.7
105.03480	0.4
107.01405	7.2
107.05021	0.6
109.02962	1.0
111.00876	3.0
113.02468	1.7
114.93492	0.4
117.03486	0.9
119.05046	0.7
121.02955	0.9
123.00906	16.7
123.04559	0.5
124.01749	2.3
125.02466	78.0
126.02835	2.3
127.00389	1.0
131.05049	0.5
133.02991	0.7
135.04576	0.9
136.98848	1.4
137.02486	2.1
139.00401	4.6
139.04004	0.4
140.01195	4.2
141.01964	1.4
143.03526	0.6
145.02980	1.0
147.04550	0.8
149.02466	1.5
150.03169	0.3
151.00381	4.5
151.03990	1.0
153.01929	0.9
157.04578	0.4
159.04503	0.6
161.02493	2.4
162.03217	0.4
163.04012	1.6
164.01134	0.4
165.01965	2.1
166.02715	0.6
166.99873	5.2
167.03586	1.0
168.00662	8.3
169.01445	100.0
170.01765	3.3
173.02473	0.8
175.03996	1.1
177.01962	1.7
179.03514	6.0
180.03911	0.4
181.01456	0.8
182.02208	0.4
183.03160	0.4
187.04005	0.7
189.02005	0.7
190.02759	0.5
190.99632	0.3
191.03491	2.7
192.00623	0.4
193.01447	4.2
193.05055	0.6
195.02858	0.5
203.03476	1.1
205.01440	1.4
205.05074	1.5
206.02246	0.5
207.02994	3.4
208.03194	0.4
211.02483	5.8
215.03523	0.5
221.00960	1.8
221.04539	3.0
223.02525	1.2
233.04597	1.3
235.02493	2.7
237.04039	0.6
241.03419	1.6
248.75996	0.4
249.04070	0.7
251.05574	1.0
253.03508	0.6
267.05099	0.5
269.04529	0.4
271.04581	1.1
274.01538	0.4
277.03540	1.0
278.04416	0.4
279.05157	2.7
295.04602	7.0
297.06140	1.0
300.99930	1.0
313.05679	17.0
314.06030	1.4
399.13065	0.8
403.06644	2.2
404.06830	0.5
421.07678	0.8
447.05692	4.0
448.06033	0.7
449.07132	2.2
465.06744	17.4
466.07193	2.1
573.08496	2.6
617.07983	58.4
618.08276	7.8
635.08990	7.2
636.09167	0.7
712.39313	0.4
787.10229	30.0
788.10138	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	786.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98831	100.0
62.98521	0.2
65.11544	0.1
71.01402	0.3
78.95908	0.7
80.96513	0.2
83.05040	0.1
109.06606	0.1
118.55280	0.1
118.98774	0.1
150.72726	0.1
151.00348	0.1
152.99664	0.2
168.04327	0.1
171.10443	0.1
209.11858	1.5
210.12167	0.1
211.13454	0.4
212.13795	0.2
226.12141	0.1
227.12810	0.2
241.14516	0.3
252.53479	0.1
253.09470	0.1
255.02956	0.2
271.02505	0.6
277.21695	1.1
294.21533	0.2
296.22266	0.1
300.02686	0.8
301.03540	0.3
331.58765	0.1
712.42053	1.6
713.42114	0.2
723.30377	0.7
724.30688	0.1
726.42969	0.2
786.38873	0.2
787.39978	0.1
819.49384	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	786.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01078	0.9
59.01380	14.9
61.98833	38.9
62.02213	0.5
69.83897	1.2
69.84313	2.2
71.01376	1.9
78.95913	23.3
79.95748	0.9
80.02687	0.5
80.96545	3.0
81.03450	0.9
83.05034	2.9
84.02164	0.7
87.00890	0.5
94.98061	1.0
95.05061	0.9
96.96996	0.9
99.10706	0.5
125.00098	0.9
125.02483	0.8
125.09734	1.2
144.92311	0.5
152.99648	3.0
158.69453	0.5
163.11270	2.5
165.12851	1.0
168.04329	5.6
171.10266	1.1
193.16930	0.5
201.11417	0.7
207.10236	1.1
209.11841	28.1
210.12201	1.4
211.13277	0.9
223.13391	1.6
224.06985	2.2
225.00792	0.9
227.12877	3.5
233.22815	0.6
241.14490	5.2
259.20459	0.7
266.06717	0.5
277.21725	100.0
278.22028	9.2
291.19293	0.5
434.19644	0.8
452.20660	1.9
466.21759	0.9
539.32086	0.6
641.34845	1.5
667.36469	0.9
671.34473	0.5
712.42108	59.2
713.42487	15.9
726.43677	5.8
727.43524	1.9
741.75787	0.7
786.38940	0.7
787.38501	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	786.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98539	0.1
79.95754	0.1
80.96509	0.5
94.98111	0.1
98.20596	0.2
164.98631	0.1
173.79041	0.1
209.11885	0.2
225.00739	0.2
514.05603	0.1
540.62231	0.1
550.49054	0.1
695.87061	0.1
787.39734	0.7
789.57178	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	786.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19392	0.0
61.98828	100.0
62.98527	0.1
71.23376	0.1
78.95934	0.1
80.96527	0.1
108.64490	0.0
129.11061	0.1
171.03381	0.0
209.11844	0.1
210.12296	0.1
277.21863	0.1
278.22217	0.1
279.22342	0.1
290.19537	0.1
353.05533	0.1
435.75699	0.1
496.67044	0.1
625.36816	0.0
787.40198	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	785.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83848	0.3
59.01377	7.2
61.98831	13.2
69.03467	1.2
71.01381	4.2
73.02947	0.7
75.00896	0.7
78.95930	0.8
83.05027	0.6
85.02960	1.2
87.00919	0.8
88.14072	0.3
88.98867	0.6
89.02467	1.9
96.96032	0.4
97.02959	1.4
99.00915	0.5
101.02462	2.6
109.06597	0.9
111.08155	2.4
113.02467	2.1
116.92884	1.7
117.92913	0.8
118.92696	0.6
119.03481	0.8
121.02972	63.7
122.03319	3.1
125.02361	0.4
125.09733	0.4
137.09781	0.5
141.09137	0.4
142.57559	0.4
143.03516	0.4
153.09207	0.5
153.12883	1.5
161.04591	1.6
163.11311	0.8
165.01971	1.1
165.12872	1.3
169.12347	6.6
171.10278	1.8
179.10838	1.1
181.06609	1.7
181.12375	0.7
183.13904	0.5
191.03569	1.2
197.11845	100.0
198.12178	6.3
199.13431	0.8
207.10286	1.5
209.04565	40.4
209.11830	3.8
210.04901	3.1
211.13463	3.6
223.13426	0.7
225.05588	1.0
225.11415	0.7
227.12894	1.6
235.08218	4.3
247.20581	0.5
251.16412	0.4
253.09300	10.3
254.09561	0.6
263.20169	0.8
273.18613	0.5
284.10022	0.4
291.19638	12.1
292.19891	0.9
293.21265	1.4
309.20715	33.4
310.21030	3.8
313.07141	2.2
314.07486	0.5
341.23236	0.5
357.05927	0.4
383.98087	0.3
401.08777	6.9
402.09039	1.0
433.20795	7.3
434.21005	1.1
444.51825	0.4
457.33365	1.1
489.32147	1.0
527.28772	1.7
545.29883	1.9
725.42120	0.6
753.41162	0.6
785.17731	0.6
785.42993	2.1
786.42767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97976	0.1
59.01376	0.1
61.98832	100.0
62.98531	0.2
70.33289	0.1
78.95911	0.2
80.96523	0.7
82.96089	0.2
85.01878	0.1
98.20634	0.2
109.06612	0.1
143.16991	0.1
209.11870	0.2
211.13438	0.2
225.00810	0.1
227.20337	0.1
277.21747	0.2
279.23380	0.3
280.23416	0.2
359.81525	0.1
786.43353	0.4
787.39746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03452	4.0
57.23473	0.5
58.00592	1.0
59.01379	17.5
61.98829	14.1
67.01902	1.2
68.99805	0.7
69.03461	7.8
70.85004	1.2
70.85359	0.9
71.01387	22.8
71.05020	3.1
72.01729	0.5
72.99317	3.5
73.02940	2.8
75.00881	5.1
78.95928	1.0
80.02679	0.9
81.03472	2.0
83.01385	3.6
83.05028	4.0
84.02165	1.1
85.02959	13.0
87.00896	6.2
88.98833	0.7
89.02453	10.0
93.03436	1.1
95.01414	2.4
95.05022	1.6
96.96026	4.1
96.96976	0.8
97.02952	3.7
97.06580	3.7
99.00887	5.4
99.04539	1.6
101.02455	10.4
103.00377	0.6
109.02993	0.8
109.06601	3.0
110.03577	0.5
111.00923	0.9
111.04513	0.7
111.08198	1.2
113.02468	12.7
113.06107	0.9
115.00434	1.1
116.92888	1.0
119.03539	2.6
121.06606	0.8
123.04533	1.3
123.08180	3.1
125.02483	2.1
125.06078	0.7
125.09737	8.3
129.01955	1.2
131.03519	0.9
133.05034	0.7
135.08167	1.0
137.09746	2.5
141.01981	0.8
142.02754	0.7
143.03526	1.2
143.10760	0.7
145.05063	1.0
149.09676	0.8
151.11305	4.9
153.12892	1.5
157.01431	0.9
161.04599	2.2
161.09743	6.9
162.10237	0.8
163.11285	2.8
165.12862	2.1
167.10779	1.4
169.12352	1.2
171.10269	5.9
175.02502	1.0
177.12848	1.3
179.05615	2.0
179.10808	16.5
180.11157	1.3
181.12334	1.7
183.13898	1.8
185.11798	5.5
187.09775	1.0
191.10770	1.3
191.14479	1.9
193.03455	0.7
193.12331	1.1
195.17700	0.6
197.11842	100.0
198.12184	6.0
203.10803	0.8
207.10251	5.0
208.10638	0.6
209.11839	28.9
210.12192	1.7
211.13329	3.0
213.11360	1.7
215.12816	0.6
219.13664	0.9
221.11868	5.4
223.09766	4.3
223.13438	0.6
225.11349	5.5
227.12897	4.7
235.08205	3.0
237.14890	1.4
239.12894	3.0
241.10820	9.9
242.10992	0.8
245.19122	4.2
247.97081	0.6
249.06111	1.5
253.09294	8.9
282.68665	0.6
287.16620	0.7
289.18076	14.1
290.18436	2.2
291.19653	1.6
293.21231	0.8
306.21774	0.5
307.19162	11.5
308.19473	1.2
309.20740	2.0
315.26987	0.7
325.20889	0.5
325.25183	1.5
341.24445	0.6
342.63394	0.6
343.26340	1.4
359.25858	1.1
369.24222	1.5
371.21948	0.8
387.25403	3.7
389.23218	1.6
397.13446	1.6
405.26404	6.7
406.26715	1.1
407.24680	0.8
412.26712	0.6
459.18939	3.7
461.20447	0.9
477.19778	10.4
478.20404	0.7
582.54919	0.7
651.30383	1.3
669.31421	7.6
670.31696	1.4
699.32605	8.5
700.33337	2.1
708.99854	0.6
742.49023	0.7
749.38153	1.0
767.38892	39.3
768.39105	12.1
785.39917	33.4
786.40045	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	785.0871
Annotation	Tercatain
Peak:m/z	Relative Intensity
59.01386	1.7
67.01894	0.5
69.03463	0.6
69.41901	3.7
71.01380	2.6
72.00974	0.3
75.00875	1.1
78.95923	1.4
85.02951	2.2
87.00883	1.4
89.02467	1.5
89.99942	0.3
90.51468	0.3
93.03477	0.6
95.01395	2.2
96.96984	0.4
97.02962	0.8
101.02461	1.3
106.17079	0.3
106.30042	0.4
107.01396	2.2
109.02953	0.8
109.69082	0.3
111.00896	0.5
113.02473	2.5
115.05515	0.8
116.05105	0.4
117.03509	0.5
119.05044	1.1
121.02985	0.6
123.00918	4.7
124.01693	1.5
124.52050	0.4
125.02469	16.5
126.02758	0.4
129.03488	0.6
131.07135	0.4
132.04578	1.2
133.02977	0.6
135.04503	2.0
137.02458	0.9
139.00349	0.5
140.01097	0.6
145.03011	2.0
147.04547	2.0
149.02495	0.6
151.00394	0.9
151.04001	0.9
156.90945	0.4
157.02998	1.1
158.06119	4.4
159.04509	2.0
159.06485	0.6
161.02472	1.2
163.03976	1.8
165.01915	1.1
167.03500	0.6
168.00679	0.7
169.01451	13.6
170.01764	0.5
173.02466	2.0
173.04572	2.0
174.03090	0.4
175.04034	3.7
177.01942	1.9
179.03551	1.8
181.05148	0.3
185.02460	3.6
187.03999	1.2
189.01949	1.3
190.02739	0.5
191.03528	2.0
191.05443	0.7
193.01469	1.1
201.01949	4.3
202.02531	0.4
202.05127	2.1
203.03531	9.1
203.05318	0.5
204.03824	0.6
205.01421	0.5
207.86681	0.3
211.02351	0.8
213.01918	1.9
214.02750	0.6
217.01442	0.9
219.03011	1.7
220.06189	0.6
221.04474	0.8
226.99844	0.7
229.01431	9.6
230.01990	0.9
231.02972	10.5
232.03357	0.8
232.67546	0.4
245.00879	2.7
247.02438	1.9
248.03249	0.7
249.04034	22.2
250.04417	1.2
254.99440	0.5
257.00882	8.0
258.01578	2.9
271.04541	0.7
273.00439	1.7
274.01047	1.2
275.01959	38.1
276.02344	2.5
283.99588	2.3
289.07272	0.5
291.01413	0.5
293.03067	1.0
293.12344	0.9
299.99115	3.1
300.99908	100.0
302.00272	7.7
313.05820	1.9
331.06693	1.1
353.08698	1.4
382.11450	5.9
383.11731	1.3
403.12546	3.1
404.13101	0.4
417.09799	0.4
419.06155	3.4
443.19345	1.5
461.13150	0.4
463.04947	1.7
483.07849	5.4
484.07944	0.9
527.14014	0.5
615.06622	2.2
633.07770	2.1
785.08636	35.8
785.95245	0.5
786.09021	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	784.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.1
60.01688	0.1
61.98831	100.0
62.98544	0.2
63.96216	0.1
69.03445	0.1
70.46456	0.1
70.46799	0.3
71.01379	0.6
71.82242	0.1
73.02943	0.2
78.95952	0.2
78.98627	0.4
79.95745	0.9
80.96522	5.2
81.96493	0.1
82.96120	0.3
85.02975	0.1
87.00907	0.2
94.98090	1.0
96.96017	0.1
97.02995	0.1
101.02474	0.3
106.98100	0.1
108.39294	0.1
120.84830	0.1
122.97606	0.1
125.02504	0.2
127.67931	0.1
134.97592	0.4
148.99146	0.4
149.99409	0.1
152.98677	0.4
153.99025	0.1
164.98669	0.6
165.98952	0.1
190.05457	0.1
206.99712	0.2
209.11882	0.5
225.00725	1.3
226.01080	0.3
227.00273	0.1
227.13033	0.1
255.23375	0.1
256.23749	0.2
277.21756	0.1
278.21957	0.1
279.23245	0.2
338.39957	0.1
389.17175	0.1
484.15576	0.1
538.28149	0.1
656.51898	0.1
740.39954	0.3
767.60120	0.1
784.42621	6.5
785.42596	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	784.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.1
61.98832	100.0
62.98529	0.1
66.54453	0.1
69.55154	0.6
71.01405	0.2
73.02955	0.1
76.91902	0.1
78.98613	0.2
79.95731	0.4
80.96523	2.3
80.96990	0.1
82.96107	0.1
87.00903	0.1
94.98090	0.5
96.95975	0.1
97.02994	0.1
101.02457	0.1
106.98132	0.1
122.97632	0.1
134.97621	0.1
148.99161	0.2
152.98672	0.2
164.83794	0.1
164.98627	0.4
184.12366	0.1
206.99655	0.1
209.11830	1.4
210.12184	0.4
211.13518	0.1
225.00720	0.7
226.01006	0.1
227.12871	0.2
253.09349	0.1
277.21756	1.0
278.22018	0.5
289.42444	0.1
559.46710	0.1
740.39362	0.1
784.42584	2.4
785.39526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06753	0.1
61.98832	100.0
62.98542	0.2
62.99258	0.1
65.80954	0.1
70.47031	0.2
71.01385	0.4
78.95924	0.1
78.98592	0.4
79.95735	0.7
80.96523	4.3
82.58010	0.1
82.96109	0.3
85.02967	0.2
87.00901	0.1
94.98095	0.8
101.02463	0.1
106.98116	0.3
116.92921	0.1
122.97620	0.2
125.02480	0.2
134.97620	0.2
148.99158	0.3
149.99458	0.1
152.98666	0.3
164.98657	0.6
165.99109	0.1
167.00269	0.1
206.99756	0.1
209.11801	0.2
225.00742	1.2
226.00999	0.2
256.23639	0.1
538.27313	0.1
547.34491	0.1
740.40063	0.2
741.39709	0.1
784.42633	4.7
785.42163	1.1
790.97137	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	785.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85910	0.3
56.48864	0.2
57.03450	0.4
59.01382	3.1
65.00335	0.3
67.09890	0.3
68.99805	0.3
69.03462	0.7
70.99608	0.5
71.01386	2.9
73.02943	0.3
78.95927	0.3
79.86742	0.3
83.01367	0.5
85.02950	2.1
87.00880	0.7
89.02446	2.8
93.03467	0.4
95.01392	2.3
97.02972	0.7
101.02457	1.3
107.01396	2.2
109.02964	0.5
111.00214	0.3
111.00905	0.4
111.22520	0.3
113.02459	2.5
113.27470	0.3
113.60861	0.3
119.03543	0.8
119.05072	0.8
121.02976	0.5
123.00896	5.3
123.04568	0.3
124.01683	1.0
125.02467	17.2
126.02831	0.9
129.03528	0.6
131.05049	0.7
133.02972	0.7
135.04539	0.6
137.02469	0.9
139.00436	0.5
143.03505	0.4
145.02988	1.8
146.31325	0.3
147.04543	2.8
148.04910	0.3
151.00372	1.0
151.03995	0.3
157.02998	1.4
159.04518	2.2
161.02509	1.3
161.04607	0.5
163.00363	0.3
163.04021	1.2
164.01207	0.4
165.02017	0.6
168.00653	0.4
169.01448	12.8
170.01743	0.4
173.02467	2.1
174.03186	0.4
175.00249	0.3
175.04024	3.6
177.01955	1.8
177.05518	0.5
178.99808	0.5
179.05663	0.8
181.01515	0.3
185.02460	3.4
187.03975	1.4
189.01958	1.1
190.02658	0.8
190.99834	0.4
191.03526	2.5
191.05630	1.0
191.10594	0.3
192.00635	0.3
193.01466	1.4
195.44299	0.3
196.01472	0.3
199.09750	0.6
200.01257	0.4
201.01936	4.4
202.02560	0.6
203.03517	8.3
204.03944	0.7
205.01479	0.7
205.05087	0.5
207.02986	0.6
209.00806	0.3
211.02475	0.7
213.01877	1.7
214.02718	0.6
217.01494	1.2
219.02991	1.1
221.04573	1.0
225.04919	0.3
226.99652	0.3
227.03368	0.3
229.01421	9.2
229.34419	0.3
230.01935	0.9
231.02977	9.9
232.03345	0.7
241.14456	0.5
245.00951	2.5
246.01624	0.4
247.02483	1.4
248.03212	0.8
249.04036	21.8
250.04417	1.5
256.00143	0.4
257.00912	7.7
258.01654	2.7
259.02185	0.4
267.14362	0.4
273.00403	1.6
274.01224	0.8
275.01959	32.1
276.02246	2.7
277.12674	0.5
281.05020	0.3
283.04782	0.4
283.99658	3.1
285.00101	0.4
287.06760	0.6
291.01318	0.4
293.02878	0.7
295.04556	0.4
295.13614	1.4
299.99170	2.4
300.99893	100.0
302.00235	8.0
313.05734	2.1
315.01282	0.3
327.10791	0.8
328.11115	0.4
331.06717	0.9
337.14917	0.4
355.15866	0.8
364.16986	0.3
369.08316	0.5
379.16281	1.9
380.16415	0.9
382.11163	0.3
403.19678	0.4
415.11813	0.3
419.06174	3.6
420.06577	0.4
463.05228	1.2
467.08069	0.4
483.07788	7.6
484.08112	1.0
592.17767	0.3
605.22278	0.4
615.06421	1.3
633.07581	2.3
634.07806	0.4
783.48682	0.4
785.08649	26.2
785.29352	0.9
786.09021	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	783.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.1
61.98507	0.8
61.98831	16.4
66.86711	0.5
69.86768	0.5
71.01384	4.0
78.79031	0.4
78.95908	1.6
80.96542	1.1
83.05050	1.0
85.02969	1.2
89.02451	2.5
101.02460	3.0
111.08194	0.5
113.02460	1.9
119.03542	1.1
145.04993	0.7
149.90260	0.4
151.11255	0.6
161.00537	0.5
161.04572	1.8
171.10289	0.6
179.05602	0.7
183.13905	5.9
193.12329	1.4
195.13918	4.5
197.11882	0.6
207.10202	0.7
209.11830	9.3
210.12157	0.5
211.13411	100.0
212.13730	5.9
223.13364	3.6
225.00793	0.6
227.12920	1.1
235.08263	3.6
253.09285	15.0
254.09598	0.8
256.13141	1.0
275.20157	4.5
277.21735	5.7
278.22217	1.0
293.21225	59.4
294.21542	6.3
301.00070	0.7
429.21475	0.5
447.22351	9.6
448.22733	1.2
448.79346	0.6
483.00546	0.7
487.34589	1.5
529.30316	2.2
530.30304	0.6
663.07129	0.6
723.43561	1.1
783.41699	2.4
784.48682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.1
59.01371	0.4
61.98832	100.0
62.30604	0.1
62.98539	0.2
63.99257	0.2
71.01390	0.4
72.99319	0.1
73.02935	0.1
77.45988	0.1
80.96529	0.2
83.01425	0.1
85.02962	0.1
87.00927	0.1
88.98815	0.3
89.02448	0.1
96.96056	0.2
101.02489	0.2
107.86645	0.1
113.02458	0.1
116.92887	0.2
125.02465	0.2
126.86006	0.1
151.04004	0.1
152.12718	0.1
163.11218	0.1
163.23596	0.1
169.01456	0.1
171.10370	0.1
197.11848	0.1
207.10391	0.1
209.11848	0.3
211.13513	0.1
213.15044	0.1
217.16084	0.1
225.11360	0.1
252.00583	0.1
261.33908	0.1
289.18063	0.1
301.00021	0.1
307.19235	0.1
308.19394	0.1
371.11386	0.1
687.32867	0.2
784.38318	0.1
785.38116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56244	0.2
59.01382	0.2
67.01904	0.2
69.56138	0.4
69.56464	1.6
71.01383	0.3
78.51057	0.2
80.53452	0.2
85.02966	0.3
86.55662	0.2
95.01408	0.8
97.02926	0.3
99.06057	0.2
101.03989	0.2
108.73315	0.2
109.02963	0.2
111.00875	0.2
117.03532	0.5
119.05037	0.6
121.02971	0.2
123.00890	1.9
125.02465	2.4
129.03477	0.7
131.05017	0.5
133.02972	0.6
135.04547	0.3
137.02492	0.3
141.03511	0.2
145.02974	2.4
146.03384	0.2
147.04529	1.8
149.02486	0.4
151.00346	0.2
151.04025	0.3
157.02951	1.3
159.00920	0.2
159.04530	1.4
161.02449	0.8
163.04048	1.5
164.01192	0.3
165.02017	0.5
169.01453	0.7
173.02431	3.0
174.03125	0.4
175.03995	2.4
176.01213	0.2
177.01953	1.2
185.02458	4.2
186.02945	0.3
187.03976	0.5
188.01077	0.2
189.01924	1.2
190.02731	0.5
191.03513	2.5
199.00314	0.3
200.01059	0.4
201.01939	5.8
202.02458	0.5
203.03519	5.5
203.04993	0.1
203.05437	0.2
204.00862	0.2
204.03778	0.5
205.01454	0.5
211.02386	0.3
212.00995	0.2
213.01955	1.5
214.02580	0.6
216.00592	0.3
217.01492	1.3
218.02129	0.4
219.02991	1.7
221.04597	0.3
226.99861	0.9
228.00562	0.4
229.01419	12.5
230.01855	1.2
231.02989	4.4
232.03444	0.3
244.00189	0.3
245.00844	2.8
246.01465	0.3
247.02530	1.5
248.02852	0.3
249.04051	3.1
250.04327	0.3
254.99301	0.5
257.00909	9.9
258.01639	4.2
259.02301	0.4
271.04706	0.4
273.00412	1.0
274.01111	1.4
275.01956	32.6
276.02322	2.6
283.99603	3.9
285.00107	0.4
291.01398	0.3
298.98608	0.3
299.01794	0.5
299.99121	3.6
300.99887	100.0
302.00226	8.0
305.06671	0.9
319.01035	0.4
331.06598	0.4
379.17651	0.2
421.04205	0.3
463.04868	0.5
477.12796	0.4
481.06180	6.3
482.06638	0.7
783.07141	28.4
784.07410	6.7
784.19110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
70.62270	1.6
70.62626	0.8
71.01379	1.1
75.13155	0.5
85.02927	0.5
89.02451	0.6
92.34059	0.5
95.01411	1.9
100.88105	0.5
109.02956	0.6
111.25437	0.4
117.03454	1.1
118.56723	0.5
119.05014	1.5
123.00910	4.2
124.01640	0.7
125.02464	5.0
129.03503	0.6
131.05046	1.6
133.02965	1.4
135.00891	0.6
135.04509	0.6
137.02481	1.2
139.07608	0.6
143.04962	1.3
145.02969	3.8
146.03725	0.6
147.04547	3.5
149.02455	0.5
151.00328	0.7
151.03976	0.8
155.07202	0.7
157.02969	1.8
158.03679	1.1
159.04536	3.9
160.04051	7.0
161.02562	1.1
161.04381	0.7
161.06082	0.5
163.00391	1.2
163.04057	1.9
165.01945	0.8
169.01418	2.6
169.02885	1.1
171.00873	0.6
171.04515	1.4
173.02452	4.7
174.03227	1.4
175.03992	3.7
177.01978	2.6
178.26219	0.6
178.99945	0.5
183.04494	1.1
185.02467	4.0
186.03175	1.2
187.04056	3.6
189.01906	3.3
189.05502	0.9
190.02675	2.4
190.99908	1.4
191.03595	3.3
193.01384	2.3
195.04645	0.6
197.02522	0.7
199.04042	2.5
200.01146	0.8
201.01942	8.3
201.05588	0.8
202.02621	2.6
203.03500	10.6
205.01352	1.8
211.04086	1.2
213.01933	2.8
213.05482	1.3
214.02742	2.6
215.03503	4.6
217.01471	2.6
218.02148	1.9
219.02975	2.5
221.00963	1.3
221.04573	0.8
223.04004	0.9
225.01909	1.9
226.02693	0.8
226.99854	1.3
227.03477	4.2
228.00690	1.4
229.01410	16.2
229.04985	1.2
230.02170	2.8
231.02991	9.0
232.03468	1.6
239.03471	1.7
241.01399	2.1
241.05110	0.7
242.02269	1.7
243.03014	6.6
244.00102	1.4
244.03697	1.0
245.00891	6.2
245.04546	0.8
246.01456	0.7
247.02477	3.3
249.04025	12.7
250.04468	0.7
251.03482	0.9
253.01422	5.8
254.01901	0.9
254.99152	0.7
255.02960	3.1
256.03561	0.7
257.00900	11.7
257.04645	1.1
258.01617	8.3
259.02368	4.9
267.02963	1.8
269.00934	1.8
269.04587	1.2
270.01602	1.1
270.98993	1.0
271.02371	8.6
271.04745	0.7
271.99692	0.7
272.02930	1.3
273.00388	5.2
273.03726	1.2
274.01172	17.9
275.01941	100.0
276.02313	7.9
279.02914	1.4
280.03622	0.5
281.00974	3.4
281.04050	0.7
282.01593	2.3
283.02380	2.7
283.99597	1.9
284.03168	1.3
285.00485	1.1
285.03986	2.5
286.01160	1.7
287.01926	7.7
288.02701	6.4
289.03455	2.0
291.01291	1.4
295.02539	2.1
296.03238	0.7
297.00433	1.3
297.03809	1.1
298.01166	2.1
299.01956	66.7
299.99066	3.7
300.02423	8.1
300.99918	65.8
301.03363	5.1
302.00235	6.1
303.01428	4.3
304.01895	1.0
309.04071	1.1
311.01913	3.9
312.02838	2.4
312.99823	1.7
313.03528	4.8
314.00586	4.3
314.04010	1.3
315.01474	4.3
316.01907	0.7
316.99292	0.8
317.03024	12.5
318.03528	0.9
323.01913	0.9
324.02539	0.5
325.03461	0.7
327.01395	1.8
328.02332	0.7
328.99313	0.8
329.02982	10.4
330.03375	0.7
331.00858	0.8
337.03671	1.1
339.05023	0.6
340.02118	1.7
341.03012	15.5
342.03482	1.2
343.00998	1.4
347.04001	2.1
349.03387	0.8
355.04681	1.0
359.04086	1.2
365.02811	2.4
366.08353	3.5
367.04605	1.3
371.04019	0.7
383.04092	1.9
401.05072	3.3
419.01093	0.9
419.06223	7.5
421.04095	1.2
437.07297	8.6
449.13080	0.7
463.05026	2.6
466.02509	0.6
477.12372	3.2
481.06216	30.6
482.06631	4.1
507.04251	5.5
508.03809	0.6
677.07440	0.7
703.05463	1.4
721.06909	5.3
722.07251	1.0
722.28412	0.6
739.08917	0.7
754.86823	0.6
765.06274	1.6
783.07111	34.7
784.07318	7.6
793.80078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
69.03461	0.2
69.95808	1.2
71.01381	0.9
77.72955	0.2
77.85360	0.2
79.01922	0.2
85.02966	0.3
89.02437	0.2
93.03468	0.8
95.01418	0.9
96.96967	0.3
97.02992	0.2
101.02475	0.4
107.01430	0.3
107.05005	0.3
109.02966	0.4
113.02438	0.4
115.05546	0.3
117.03485	0.9
119.05023	1.3
121.02995	0.2
123.00903	2.6
123.04517	0.4
124.01682	0.4
125.02468	2.9
129.03487	0.8
131.05005	0.5
133.02943	0.7
135.04533	0.5
136.01663	0.3
137.02478	1.4
139.00401	0.3
141.03519	0.4
145.02975	2.4
147.04521	2.0
149.02463	0.6
149.06027	0.2
151.00391	0.4
151.04018	0.6
153.01923	0.2
157.02956	1.6
158.03676	0.4
159.04538	1.9
161.02414	1.3
163.04051	2.3
164.01189	0.4
165.01961	0.4
166.99854	0.3
167.03499	0.2
169.01430	1.4
173.02448	3.0
174.03085	0.4
175.04012	3.3
176.01257	0.3
177.01938	2.0
177.05608	0.3
179.03468	0.4
185.02441	4.8
186.02966	0.5
187.03961	0.8
189.02002	1.2
190.02681	1.0
191.03511	2.6
191.05446	0.4
192.04077	0.2
200.01190	0.4
201.01944	5.9
202.02524	0.8
203.03506	7.7
204.03873	0.4
205.01437	0.4
207.03020	0.3
213.01953	1.7
214.02631	0.6
216.00603	0.2
217.01546	1.0
218.02242	0.4
219.03000	2.1
221.04553	0.5
223.89957	0.2
226.99902	0.9
228.00615	0.6
229.01422	13.3
230.01918	1.6
231.02972	6.2
232.03326	0.6
240.00630	0.4
242.99298	0.3
244.00078	0.4
245.00894	2.8
246.01488	0.4
247.02457	1.9
248.03107	0.5
249.04042	6.4
254.99283	0.2
257.00906	11.6
258.01587	4.2
259.02228	0.4
267.06903	0.2
270.98672	0.3
273.00385	1.3
274.01157	1.7
275.01953	41.2
276.02313	3.5
283.04977	0.4
283.99640	3.8
289.07275	0.3
291.01508	0.5
298.98334	0.3
299.99130	3.4
300.99887	100.0
302.00244	8.7
302.02979	0.1
311.11670	0.2
319.00894	0.6
375.09085	0.2
382.11099	0.3
387.09195	0.2
389.10919	0.5
391.02734	0.3
421.04025	0.4
445.13583	0.3
463.05261	1.3
464.05530	0.4
481.06232	6.3
482.06406	0.7
494.32394	0.2
541.30621	0.2
708.10730	0.2
783.07104	30.6
784.07361	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	781.444
Annotation	lugdunin
Peak:m/z	Relative Intensity
59.01377	0.9
63.96232	2.4
69.03448	1.1
71.01386	10.2
73.02951	2.0
78.98600	9.2
79.95255	0.6
79.95740	18.3
80.96522	100.0
81.03471	1.4
81.96452	0.4
82.96116	0.5
83.01429	0.4
85.02955	3.7
87.00886	3.2
94.98094	22.5
95.01395	0.7
96.83304	0.3
96.96019	1.9
97.02975	2.5
98.19905	0.9
99.00887	1.2
99.04478	0.4
101.02451	3.0
106.98105	4.5
111.87872	0.3
113.02434	0.5
122.97591	5.6
123.95176	0.3
125.02472	4.4
127.04018	1.3
134.97598	6.6
136.99162	2.3
137.00092	0.4
138.97044	0.3
148.99155	8.8
152.98668	7.6
164.98648	16.1
167.00186	0.5
179.00142	0.4
206.99667	3.6
211.13423	2.3
225.00742	27.8
226.01109	1.2
229.40100	0.4
243.01785	0.4
255.23325	1.2
291.84723	0.4
304.15741	0.4
432.29175	0.4
493.17148	0.4
525.20093	2.8
537.27386	1.5
749.41754	0.7
763.40448	0.4
781.44342	99.6
782.44647	27.1
796.05267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01826	0.4
55.20127	0.4
57.03444	0.6
59.01377	19.0
61.52116	0.3
61.98830	15.0
69.03447	0.9
70.80706	1.0
71.01385	7.9
71.05026	0.4
72.99282	0.4
73.02949	1.2
78.95909	16.5
78.98594	1.6
79.95734	3.3
80.02700	1.8
80.96520	17.9
81.03457	3.4
83.01400	1.1
83.05030	4.4
85.02956	1.7
87.00868	1.8
89.02456	3.4
94.97604	0.5
94.98109	4.0
95.01400	0.5
95.05051	0.6
95.17330	0.5
96.96013	0.5
96.96980	4.1
97.02959	5.4
99.00871	1.3
101.02450	5.6
106.04241	0.5
106.98096	1.0
107.05076	0.9
109.06602	33.0
110.03780	1.1
110.06963	1.2
111.00873	0.4
113.02475	3.5
119.03487	1.6
121.06623	1.7
122.97539	0.7
123.04546	0.5
123.08264	0.5
125.02447	1.3
125.06039	0.5
125.09717	0.5
127.04010	0.5
134.97601	1.1
135.08183	3.8
135.22545	0.6
136.05313	0.8
136.99249	0.5
142.02736	1.7
143.03477	0.4
145.10240	0.6
148.99162	1.7
152.98602	1.2
152.99611	4.1
161.04576	1.5
161.09779	2.1
163.11301	21.0
164.11626	0.9
164.98642	3.0
165.12868	1.2
179.05663	1.0
179.10809	0.8
181.12355	4.3
189.09239	3.2
191.10835	0.4
200.87003	0.3
201.79938	0.3
207.10271	100.0
208.10629	5.7
209.11836	16.2
210.12192	1.0
223.00151	1.1
225.00748	5.4
225.11327	34.2
226.11694	2.0
227.12854	1.2
235.08243	2.9
241.01173	7.4
243.12274	0.7
253.09276	13.7
254.09731	0.9
255.23289	9.0
256.23593	1.3
259.02325	0.5
277.21716	72.4
278.22076	8.4
281.14096	0.5
283.05078	0.4
299.15054	1.1
342.14313	0.4
391.22574	0.5
423.32587	0.8
425.18427	0.6
441.33603	1.5
442.34030	0.5
443.19205	6.6
461.20264	10.6
462.20560	1.1
467.31433	0.7
485.32144	0.8
525.16833	0.8
537.27502	0.5
703.40802	1.5
704.41791	0.8
721.41840	34.0
722.42102	8.3
746.26147	0.4
763.40179	0.6
781.41302	43.2
782.41687	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	781.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
60.99330	0.1
61.98832	10.3
63.02401	1.3
65.00314	1.1
68.99820	0.2
71.37138	0.1
72.99314	0.2
73.02919	0.1
73.10963	0.1
79.01907	0.1
83.01400	1.0
88.98815	1.6
89.02435	0.1
89.03994	0.1
89.55011	0.1
91.01904	0.5
93.03471	2.6
94.98105	0.1
95.01408	0.3
97.02978	0.1
99.47153	0.1
107.01408	3.0
108.02198	0.2
109.02960	0.9
113.02461	0.1
115.05506	0.1
116.92908	0.2
117.03481	12.0
118.03812	0.4
119.01411	0.3
119.05046	5.8
120.05405	0.2
121.02982	0.7
123.00917	0.4
123.04507	0.2
125.02458	0.5
130.04257	0.3
131.05038	0.3
132.02205	0.4
133.02986	0.4
133.06589	0.1
135.00902	1.1
137.02477	0.3
141.07170	0.2
143.05042	1.1
145.02975	43.4
146.03307	2.1
147.00952	0.1
147.04567	0.2
148.01691	0.2
151.00397	4.4
153.01970	0.4
154.04292	0.4
155.05070	0.4
156.05820	0.4
157.03001	0.2
157.06627	1.0
158.03804	0.2
159.04543	2.1
161.02486	0.2
161.06099	0.5
162.03249	0.3
163.00414	1.8
163.04019	5.3
164.01147	0.5
164.04739	0.6
165.01929	0.6
167.05019	0.7
168.05701	0.1
169.01489	1.3
169.06598	0.9
171.04520	1.2
173.02451	0.4
173.06117	0.4
179.07135	0.3
182.03769	0.4
183.04532	1.4
184.05273	0.4
185.02545	0.2
185.06116	2.7
186.06528	0.1
187.04030	3.7
188.04337	0.2
189.05534	1.0
192.00673	0.3
195.04552	0.9
195.06593	0.2
196.05263	0.2
197.06058	0.8
198.03270	0.3
199.03972	1.0
201.05548	1.0
202.05746	0.1
205.05090	0.2
209.11824	0.4
211.03993	2.3
211.13312	0.2
212.04675	0.4
213.01956	0.2
213.05577	2.0
214.02759	0.4
214.05875	0.2
215.03523	0.6
215.07056	0.2
217.05176	0.2
223.04028	0.3
224.04547	0.2
225.05194	0.2
227.03519	9.0
227.06821	0.9
228.03862	0.7
229.05057	9.4
229.42213	0.2
230.05392	0.8
239.03487	1.6
240.04175	0.7
241.05083	1.5
242.05252	0.2
243.03085	0.5
255.02989	16.4
256.03571	2.3
257.04550	6.2
257.07315	0.2
258.04865	0.5
267.03021	0.7
268.03711	0.3
269.04462	0.2
271.06110	0.8
283.02466	3.6
284.00711	0.1
284.03256	12.4
285.04041	100.0
286.04391	7.8
289.07114	0.7
331.08261	0.2
349.09354	1.0
435.10965	1.1
453.11887	0.5
495.12967	8.5
496.13266	1.4
557.11145	0.5
575.12231	1.1
617.13159	2.5
618.13605	0.5
635.03406	0.2
635.14209	6.9
636.14594	1.6
781.17950	8.2
782.18384	2.3
782.32159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.2
60.99300	0.2
61.98835	1.0
63.02406	1.3
63.69233	0.1
65.00329	0.9
66.40852	0.1
69.76444	0.5
69.76876	0.5
83.01392	1.0
88.98829	1.0
91.01924	0.3
93.03464	1.7
95.01379	0.2
98.19779	0.1
107.01399	2.7
109.02967	0.5
116.92877	0.4
117.03483	9.8
118.03812	0.4
119.01363	0.2
119.05042	3.3
121.02990	0.4
122.19836	0.1
123.00890	0.2
130.04219	0.2
131.05043	0.5
135.00903	0.9
137.02457	0.3
141.07176	0.2
143.05031	1.2
145.02975	37.1
145.74362	0.2
146.03305	1.5
148.01566	0.2
151.00389	3.8
152.00781	0.2
153.01961	0.3
154.04251	0.4
155.05029	0.3
156.05785	0.2
157.03059	0.1
157.06619	0.8
157.07730	0.2
158.03712	0.5
159.04541	1.5
161.06113	0.3
163.00394	1.9
163.04034	2.9
164.01083	0.3
165.01976	0.3
167.05054	0.6
168.05661	0.2
169.01451	1.1
169.06616	0.8
171.04568	0.9
172.05249	0.1
173.02428	0.2
173.06113	0.3
174.03273	0.2
182.03725	0.2
183.04543	1.2
185.06093	2.3
186.06508	0.2
187.02449	0.3
187.04018	3.6
189.05589	0.7
192.00620	0.3
195.04512	0.5
197.06094	0.6
199.04002	0.6
201.05573	0.6
202.02875	0.1
205.05174	0.1
209.11839	0.6
211.04016	1.9
211.13359	0.9
212.04735	0.2
213.05582	1.7
214.02792	0.3
215.01004	0.1
215.03503	0.4
223.04059	0.3
224.04678	0.1
227.03516	6.9
228.03889	0.3
229.05060	7.5
230.05444	0.4
239.03500	1.4
240.04210	0.5
241.05003	1.3
243.02997	0.4
255.02986	11.9
256.03625	1.7
257.04553	5.3
258.04947	0.4
267.02939	0.7
268.03641	0.3
271.06073	0.2
283.02466	2.5
284.03281	8.5
285.04041	100.0
286.04376	7.9
289.07263	0.4
293.04660	0.2
349.09531	0.8
428.91220	0.1
435.10693	0.7
495.12961	11.0
496.13312	1.5
557.10956	0.6
575.12280	0.2
595.28253	0.2
617.13361	1.4
618.12994	0.2
635.14160	3.7
636.14423	0.6
781.18030	5.0
781.39606	0.2
782.18097	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	781.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50429	0.1
59.01375	0.4
60.18503	0.2
60.99305	0.2
61.98829	1.9
63.02390	1.2
65.00322	0.9
72.99329	0.3
76.34090	0.1
79.01881	0.2
83.01388	1.2
88.98793	1.3
91.01901	0.4
93.03456	2.0
95.01400	0.3
98.20645	0.3
107.01389	3.0
109.03004	0.8
113.28951	0.1
116.92886	0.3
117.03482	10.9
117.92930	0.1
118.03834	0.5
119.01422	0.3
119.05037	3.3
120.05390	0.3
121.02976	0.3
123.04545	0.2
125.02528	0.3
131.05061	0.3
132.02315	0.2
133.02950	0.2
135.00908	0.9
137.02457	0.2
141.07011	0.2
143.05057	1.1
145.02975	38.2
146.03313	1.8
151.00395	4.5
153.01985	0.3
154.04352	0.4
155.05045	0.4
156.05823	0.4
157.06630	0.7
158.03786	0.3
159.04529	1.9
161.02444	0.3
161.06166	0.2
163.00397	1.9
163.04037	3.0
164.01138	0.5
167.04956	0.7
168.05779	0.2
169.01509	0.9
169.06610	0.8
171.04587	0.7
173.02478	0.4
173.06055	0.4
182.03755	0.2
183.04565	1.5
184.05266	0.3
185.06111	2.4
186.06648	0.2
187.04028	4.0
188.04324	0.2
189.05559	0.9
192.00574	0.2
195.04561	0.7
196.05374	0.2
197.06084	0.9
198.03246	0.2
199.03983	0.7
200.04730	0.2
201.05595	0.5
209.11830	1.7
211.04021	1.8
211.13385	1.4
212.04785	0.3
213.05563	1.9
214.02733	0.2
214.05946	0.2
215.03523	0.4
223.03963	0.3
224.04744	0.2
227.01234	0.3
227.03508	6.8
227.12825	0.2
228.03862	0.5
229.05058	8.3
230.05431	0.6
239.03490	1.4
240.04231	0.7
241.05064	1.1
243.03081	0.4
253.09317	0.2
255.02972	12.1
256.03613	2.4
257.04541	5.8
258.04868	0.4
267.02960	0.7
268.03571	0.2
271.06116	0.3
283.02448	2.5
284.03253	8.5
285.04025	100.0
286.04373	8.7
289.07169	0.4
338.03445	0.2
349.09341	1.1
434.96179	0.2
435.10754	0.6
436.11566	0.2
447.22171	0.2
491.49411	0.2
495.12930	10.3
496.13162	1.7
512.66382	0.2
514.83038	0.2
557.10767	0.5
575.11566	0.2
617.13031	1.3
618.13409	0.2
635.14148	3.5
636.14490	0.8
743.62433	0.2
781.18066	4.2
781.32159	0.2
782.18604	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	781.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98830	3.5
63.02403	1.2
65.00312	0.9
68.99863	0.1
70.42918	0.3
70.43308	0.4
72.99301	0.1
83.01389	1.1
88.98810	0.8
89.03973	0.1
91.01913	0.4
93.03478	1.8
94.63402	0.1
95.01416	0.2
102.90076	0.1
107.01408	2.8
109.02957	0.7
113.02436	0.2
113.76109	0.2
117.03481	10.9
118.03806	0.5
119.05042	4.3
120.05419	0.2
121.02984	0.6
123.00909	0.3
125.02502	0.3
130.04295	0.2
131.05092	0.3
131.62424	0.1
132.02245	0.4
133.03006	0.2
133.06564	0.2
135.00908	0.9
137.02446	0.3
141.07080	0.2
143.05072	1.2
145.02977	38.8
146.03314	1.9
150.99158	0.2
151.00392	4.2
152.00754	0.2
153.01952	0.3
154.04269	0.4
155.05032	0.5
156.05803	0.3
157.02992	0.2
157.06635	0.9
157.67586	0.2
158.03786	0.3
159.04549	1.8
161.02419	0.2
161.06090	0.3
162.03221	0.2
163.00410	2.0
163.04027	3.8
164.01076	0.6
165.01990	0.5
167.04999	0.8
168.05844	0.2
169.01469	1.1
169.06609	0.8
170.01787	0.2
171.04567	1.0
172.05237	0.2
173.02478	0.2
173.06145	0.4
175.04004	0.1
182.03723	0.2
183.04533	1.4
183.13969	0.1
184.05243	0.4
185.02518	0.2
185.06094	2.4
186.06696	0.2
187.02466	0.2
187.04045	3.3
188.04262	0.2
189.05537	1.0
195.04567	0.6
196.05219	0.3
197.06059	0.8
198.03093	0.2
199.03996	0.9
201.05615	1.0
205.05032	0.3
209.11920	0.7
211.04012	1.9
211.13396	0.6
212.04590	0.4
213.05585	1.9
214.02657	0.5
215.03435	0.4
217.05147	0.2
223.03964	0.2
226.02815	0.2
227.03516	7.1
227.07178	0.4
227.12909	0.1
228.03922	0.5
229.05066	8.8
230.05412	0.6
239.03474	1.3
240.04254	0.6
241.05077	1.3
243.02957	0.3
255.02979	14.3
256.03564	2.2
257.04544	5.9
258.04861	0.6
267.02881	0.9
268.03607	0.2
269.04404	0.2
271.06131	0.6
283.02490	2.8
284.03256	10.4
285.04034	100.0
286.04385	10.0
286.07660	0.3
289.07196	0.4
349.09427	0.9
435.10855	0.8
435.16077	0.2
453.11801	0.4
495.12918	10.8
496.13211	1.6
557.10950	0.6
575.11963	0.6
576.12781	0.2
617.13049	2.0
618.14215	0.3
635.14154	5.2
636.14508	1.3
647.56818	0.1
781.18024	5.8
782.18384	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	779.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41354	0.5
56.87474	0.5
59.01371	0.8
59.52724	0.7
60.61251	0.6
61.98835	6.3
63.96234	1.6
69.03440	0.8
69.57890	0.6
71.01391	9.6
71.22263	1.3
71.22575	0.7
73.02944	2.2
74.86597	0.5
78.95902	1.2
78.98598	7.0
79.95743	15.6
80.96525	74.8
81.03468	0.7
82.96089	0.7
85.02950	3.4
87.00877	2.5
90.09913	0.6
94.45170	0.6
94.98101	18.0
96.96014	1.6
97.02997	0.9
101.02455	2.9
106.98099	3.2
116.92909	0.8
122.97603	5.0
125.02461	3.9
127.04002	1.3
134.97629	5.9
136.99141	2.0
148.99158	5.8
152.98669	6.1
164.98666	13.4
206.99709	3.9
209.11852	2.2
225.00751	27.0
226.00945	1.0
267.29205	0.6
269.24875	1.9
406.37372	0.7
509.17343	3.8
510.06381	0.6
510.17270	0.9
551.28699	1.2
615.44977	0.6
644.18970	0.6
752.18475	0.7
779.42792	100.0
780.43073	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	779.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.8
60.99307	15.8
61.98833	7.2
71.01385	1.1
71.67104	0.3
72.99320	0.3
80.50053	0.1
80.96528	0.2
82.95422	0.2
85.02965	0.4
87.00894	0.4
88.00417	0.3
88.98814	100.0
89.02454	1.1
89.99135	1.1
93.18472	0.2
96.96028	0.3
97.02967	0.2
101.02428	0.4
105.01940	0.5
113.02464	0.2
113.06100	0.1
116.92896	0.9
121.02895	0.2
125.02467	0.5
128.90186	0.4
129.01945	0.2
137.02444	0.2
154.86496	0.1
163.04050	0.3
169.01433	0.4
171.10310	0.8
171.50793	0.1
173.57571	0.1
174.01692	0.2
183.13850	0.2
194.73776	0.1
207.10315	0.2
209.11858	1.6
210.12109	0.2
211.13335	0.3
225.11391	0.3
227.12814	0.3
248.48572	0.1
397.13455	0.2
779.39197	1.1
780.39624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86378	0.5
57.02287	0.6
59.01369	0.8
61.98837	3.6
63.96220	1.6
69.36203	0.6
71.01388	8.8
71.13934	1.1
73.02953	1.7
78.95930	0.8
78.98605	5.4
79.95741	14.9
80.96526	80.9
81.03465	1.4
82.96102	1.1
83.01365	0.6
84.37932	0.5
85.02966	3.6
87.00859	3.0
94.98100	17.8
96.96030	2.1
97.02938	1.7
99.00887	0.8
101.02434	3.3
106.98098	3.5
113.02451	0.6
121.07785	0.5
122.97615	4.1
125.02451	4.2
127.04047	1.0
134.97614	5.9
136.99152	1.7
148.99150	5.7
152.98642	6.5
164.98651	13.3
195.56288	0.6
196.78674	0.5
206.99704	2.6
209.11800	0.7
225.00743	24.9
248.11884	0.6
266.00833	0.7
269.24860	1.5
326.32635	0.7
357.45438	0.6
411.41299	0.6
505.32611	0.6
509.17224	3.4
538.99957	0.5
551.28943	1.2
552.28528	0.7
630.47357	0.7
779.42798	100.0
780.43182	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	779.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
58.00579	0.5
59.01381	9.5
59.68928	0.5
60.65810	0.5
61.98825	3.8
67.01886	2.1
68.99821	2.4
69.03448	1.4
69.63937	2.0
69.64359	1.8
70.89854	0.5
71.01385	10.6
72.37831	0.5
72.99318	1.5
73.02936	1.7
75.00868	0.9
78.95899	1.1
80.02590	0.5
81.03434	0.6
83.01385	1.4
85.02436	0.7
85.02952	9.8
87.00886	2.5
89.02453	5.8
91.04004	1.5
93.03471	4.1
95.01389	1.8
96.96946	1.2
97.02992	0.6
99.00899	1.2
99.04525	0.5
101.02443	3.5
103.04019	2.5
106.40591	0.5
109.02939	0.8
111.00920	2.4
113.02470	7.1
119.03508	1.4
121.02966	88.0
122.03310	2.9
123.00861	0.9
123.04529	1.0
125.02450	3.9
131.03505	1.7
135.04514	1.0
136.01677	0.8
137.02460	10.4
138.01968	1.2
138.05559	0.5
139.00388	1.1
143.03520	0.8
145.02986	0.6
147.04588	0.7
149.02411	0.8
149.04561	1.4
150.03242	1.1
151.03989	1.2
157.01466	0.8
161.02460	0.9
161.04546	1.1
165.01920	1.1
165.05592	1.1
167.03500	0.6
169.01460	2.8
169.05089	0.6
175.02417	0.7
175.04033	0.7
177.02034	0.8
179.03516	3.8
179.05537	1.0
179.10789	4.0
187.11148	0.6
189.01945	0.7
191.03503	0.6
191.05605	0.9
195.06656	0.7
203.03462	0.7
205.12407	2.4
207.03070	0.5
209.04533	1.4
227.07324	0.5
229.01408	0.7
231.05060	1.0
239.05562	2.3
243.03029	0.9
245.09254	0.7
247.02383	0.6
249.03966	1.2
249.06221	1.2
257.00717	0.6
261.13559	0.6
263.07687	21.3
264.08060	0.9
265.09283	4.5
267.07129	2.8
268.03555	0.7
274.01138	0.6
275.01923	1.4
289.07144	0.9
299.99066	0.6
300.99908	3.3
301.02841	0.5
322.33035	0.5
341.12357	0.6
353.08704	1.1
385.11386	100.0
386.11752	9.1
393.17599	2.3
617.22949	0.9
678.82434	0.6
779.29303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90251	0.2
59.01382	1.5
63.02393	1.5
65.00325	2.8
66.05743	0.2
69.51299	0.5
69.51707	1.8
71.01389	2.3
72.99303	0.3
75.00892	0.4
83.01389	1.9
85.02969	1.5
87.00880	0.4
89.02456	0.3
91.01898	0.4
93.03480	0.9
95.01404	0.6
99.00900	0.5
103.00397	0.8
107.01404	7.1
108.99343	0.2
109.02979	3.5
113.02467	1.7
117.03503	0.3
119.01353	0.6
121.02983	6.6
122.03298	0.3
125.02447	0.5
129.03471	0.3
135.00912	0.6
139.04021	0.4
145.02997	0.8
148.01675	0.4
149.02478	1.0
151.00394	27.0
152.00748	0.8
157.02980	0.4
159.04561	0.6
161.02466	0.3
163.00395	3.6
163.04070	0.5
164.01210	0.4
169.01498	1.7
169.97371	0.2
173.02437	0.9
173.06068	0.4
175.02481	1.2
175.03900	0.4
175.55453	0.2
178.99884	13.4
180.00241	0.4
183.04524	0.5
184.80588	0.3
185.02480	2.4
185.06036	0.3
187.04056	0.6
188.37454	0.2
189.01857	0.4
190.99844	0.4
193.01413	0.6
195.04588	0.3
201.01947	1.4
201.05640	1.1
203.03539	0.4
205.05069	0.4
211.04027	1.6
211.05687	0.3
213.02020	0.6
226.99925	0.3
227.03485	1.7
228.00546	0.3
228.04082	0.3
229.01462	2.9
229.05029	1.6
230.02011	0.3
239.03459	0.6
240.04108	0.2
243.02855	0.3
245.00934	1.2
245.04515	2.6
246.04861	0.3
255.02979	4.2
256.03503	0.5
257.00839	1.1
257.04575	0.5
263.43625	0.2
266.02161	0.3
271.02448	0.6
273.04004	2.4
283.02417	2.2
283.99619	2.0
284.02924	0.5
299.99261	2.4
300.02560	0.5
300.99945	51.5
301.03540	100.0
302.00269	3.9
302.03897	7.8
315.01367	0.5
318.68872	0.2
386.28152	0.2
477.06754	63.5
478.07098	9.2
567.90466	0.2
691.60919	0.3
780.07947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48960	0.5
59.01361	1.1
61.98831	0.5
63.96220	1.6
69.03456	0.8
70.92405	1.6
71.01389	8.1
73.02935	0.9
78.95910	7.2
78.98603	5.1
79.95744	11.7
80.96525	66.6
81.03453	0.5
82.96107	1.2
85.02960	2.4
87.00892	2.6
94.98096	14.3
96.95996	1.5
96.96969	1.5
96.97623	0.5
97.02955	2.1
99.00858	0.7
101.02448	2.1
101.21574	0.6
106.98101	3.4
113.02447	0.5
122.97591	4.5
125.02470	3.0
127.04002	0.5
134.97589	5.3
136.99158	1.4
148.99171	6.0
152.98619	6.4
152.99651	1.1
164.98660	10.7
183.87677	0.5
195.13860	1.4
206.99699	3.0
223.13402	3.2
225.00745	20.8
226.01031	0.7
241.01183	3.8
255.23285	6.8
269.24744	1.5
308.05890	0.5
391.22403	0.7
507.15182	1.8
551.29083	1.1
643.15253	0.6
777.41431	100.0
778.41693	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	777.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40918	2.9
57.01323	2.7
59.01378	3.7
61.98838	35.2
71.74328	3.3
73.92712	3.3
74.44495	2.9
78.95913	10.8
91.00926	3.3
94.84237	3.3
100.53174	3.0
101.02445	3.9
133.09871	3.3
160.81708	3.1
201.11356	38.1
209.11850	82.4
210.12135	5.2
225.60178	4.0
227.12903	12.2
235.08270	17.1
253.09247	19.4
260.92880	3.9
277.21719	100.0
278.22083	10.2
293.21338	4.3
326.53473	4.3
445.20651	7.7
469.33099	5.8
513.30591	9.2
697.42175	5.1
777.41949	28.7
778.42755	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	777.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28266	0.2
57.03446	0.3
57.15097	0.2
59.01372	1.5
60.99287	0.3
64.56101	0.3
67.01900	1.8
69.03441	0.7
70.50257	1.0
71.01389	3.9
72.99336	0.4
73.02959	1.1
79.01913	0.4
81.03468	0.8
83.01385	0.6
83.05060	0.3
85.02950	4.0
87.00895	0.7
89.02441	0.4
93.03471	9.2
94.03809	0.4
95.01394	1.7
97.02974	0.9
98.20503	0.4
99.00904	0.5
101.02443	1.5
107.01408	2.9
107.05070	0.3
108.02199	2.8
109.02970	6.5
111.00903	1.8
111.04515	1.4
113.02483	1.7
119.03539	0.3
119.05097	0.3
123.00903	7.6
123.04523	0.3
124.01733	0.8
125.02464	18.2
127.00424	0.3
127.04068	0.4
133.02942	0.4
134.03751	0.9
134.17035	0.3
135.04539	23.5
136.04883	1.1
136.98822	0.5
137.02467	1.8
139.00391	1.7
140.01169	1.9
141.01949	1.1
151.00397	5.8
151.04024	0.8
152.00766	0.6
153.01970	0.6
155.03487	1.7
161.02473	1.5
163.04022	0.7
164.08502	0.4
168.00681	2.6
169.01445	28.9
170.01752	1.3
173.04568	34.3
174.04929	1.3
177.01964	0.4
179.03513	22.5
180.03841	1.3
181.05060	0.3
191.05632	15.0
192.05959	0.8
211.02530	0.7
241.03436	0.5
253.03520	0.5
289.07166	0.4
297.06158	0.5
299.01920	0.3
300.99817	1.0
301.03284	0.6
313.05618	8.0
314.06073	0.8
323.13412	0.5
353.02441	0.4
353.08780	27.5
354.09183	2.5
423.09329	100.0
424.09644	11.6
453.10568	0.8
483.11923	0.3
563.23798	0.4
615.10474	0.5
777.15216	0.6
778.15326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98530	0.1
70.47338	0.2
70.47715	0.4
82.01854	0.1
124.65602	0.1
130.21721	0.1
167.37740	0.1
362.59952	0.1
542.12219	0.1
802.73456	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.8
61.23474	0.9
63.02391	1.8
65.00331	7.7
71.01387	4.9
71.74593	1.4
73.02932	1.7
76.88008	1.1
81.43567	0.9
83.01385	4.4
85.02923	1.4
89.60466	1.0
93.03461	2.1
93.08269	1.1
93.68798	1.2
95.01395	2.9
96.96008	1.4
101.02438	2.1
107.01402	21.9
109.02934	2.7
111.00896	2.6
113.02457	1.9
121.03008	5.0
121.03742	1.1
123.00903	9.9
124.01677	2.1
125.02467	40.3
125.03405	1.9
126.02724	1.6
133.03008	1.0
135.00813	1.2
135.04558	1.1
137.02454	0.9
138.03104	1.0
139.00371	2.5
140.01186	1.7
141.01955	1.3
147.04510	1.0
149.02478	2.5
151.00395	60.1
151.03976	1.4
152.00813	1.8
153.01903	1.4
155.64073	1.0
155.76476	1.1
161.02409	1.3
163.00356	2.2
163.03906	1.3
164.01128	1.3
165.01921	2.1
166.99876	2.6
168.00613	4.1
169.01445	57.3
170.01724	1.4
175.00343	3.8
177.01842	1.7
178.99863	9.4
183.04509	1.4
187.04019	1.2
193.01418	3.8
199.04030	2.4
201.02231	1.0
205.01485	1.3
211.02472	5.3
215.03444	2.0
226.02797	1.3
227.03505	3.0
241.03485	2.3
243.02863	6.4
254.02296	2.8
255.02975	5.7
256.03598	1.4
257.04422	1.2
271.02402	42.1
272.02802	4.1
273.03983	1.2
275.01874	1.3
279.44458	1.0
283.02444	2.1
285.04034	10.3
299.01962	26.8
299.05157	2.4
300.02756	35.9
301.03531	66.0
302.03815	4.6
313.05707	34.5
314.05872	2.9
343.04639	1.9
348.77719	1.1
389.12827	1.4
421.07666	2.9
442.65253	1.1
463.08829	7.2
465.06784	14.1
466.07440	1.5
597.09186	2.8
614.95313	1.6
615.10052	81.7
616.10431	11.5
777.15466	100.0
778.15778	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	775.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.3
59.43870	6.6
61.98832	71.9
71.01367	17.7
71.71380	12.7
72.99298	9.7
78.95898	29.6
79.95770	7.2
82.50941	8.0
92.75717	6.7
93.49891	6.7
96.95422	10.8
96.96015	100.0
96.96983	19.3
116.92919	12.3
117.03471	10.1
145.02936	28.5
152.99513	8.9
169.12267	7.5
171.10321	8.1
175.36478	7.0
183.13858	9.1
196.69946	7.0
197.11784	17.1
208.92555	6.5
209.11746	14.5
211.13428	59.5
227.12912	12.8
253.09250	10.9
255.16150	6.8
266.85767	6.7
277.21912	9.4
291.19635	19.8
293.21326	10.6
309.20648	25.5
633.37677	23.0
775.40228	46.4
776.40979	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	775.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98536	0.2
70.48542	0.1
70.48940	0.1
75.87239	0.1
76.04877	0.1
77.38536	0.0
77.88041	0.0
90.94357	0.1
98.20532	0.1
161.74538	0.1
189.75630	0.1
260.19354	0.1
660.94037	0.1
712.53900	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81379	2.7
59.01371	6.3
61.98832	100.0
71.01367	6.4
71.72138	4.2
73.02925	2.6
78.95902	29.8
79.95768	2.5
80.96514	10.8
87.00893	2.5
89.02418	3.3
101.02460	4.8
109.06612	8.6
116.42078	2.3
119.00708	2.6
145.03052	3.3
152.99567	11.2
158.74416	2.7
161.04506	2.5
163.11282	6.3
171.10283	11.5
178.02896	2.4
189.68608	2.8
199.09808	15.8
207.10257	27.3
209.11852	6.5
225.11342	62.4
226.11676	4.9
235.08249	9.6
253.09233	10.0
267.23367	6.7
277.21732	77.8
278.21991	7.4
303.02103	3.1
326.45563	2.7
443.19138	11.3
461.20172	22.2
468.12558	3.5
513.30676	5.2
695.40613	29.8
696.40796	9.7
721.41876	43.7
722.42090	8.4
775.38995	14.4
776.40033	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	775.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
61.98830	13.4
70.54121	5.2
71.01391	4.0
78.95901	7.3
81.85563	1.5
83.05045	2.6
98.20565	2.4
99.24094	1.3
101.02463	2.0
116.92815	2.3
147.74200	1.4
161.04623	2.2
171.10295	7.6
188.29172	1.5
195.13853	4.0
209.11848	76.2
210.12125	5.7
211.13347	2.4
223.13440	2.8
227.12889	20.7
228.13354	2.6
235.08218	2.8
253.09299	24.4
275.20160	4.6
293.21225	100.0
294.21646	11.6
295.22635	2.5
362.86273	1.7
432.84836	1.6
445.20825	4.4
529.30035	8.5
548.59265	1.6
721.41571	2.7
775.40784	49.8
776.40869	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	775.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20818	1.5
59.01384	3.3
61.98836	17.5
71.01387	4.5
78.95918	7.0
83.01373	1.2
83.05026	2.9
89.02440	1.5
92.42989	1.5
94.42544	1.3
96.96072	2.6
97.14709	1.4
98.19818	3.6
101.02456	2.1
116.92957	1.7
125.74688	1.6
152.99576	3.2
163.11240	2.5
171.10269	10.2
209.11827	100.0
210.12206	7.8
211.13449	2.2
227.12857	20.1
229.76036	2.2
235.08223	7.5
253.09319	15.0
275.20065	3.9
285.48611	1.5
293.21185	50.3
294.21518	4.0
380.18179	1.7
404.36539	1.6
406.27621	1.6
445.20691	11.9
446.21069	2.1
463.21423	2.7
756.82422	1.8
775.40686	39.4
776.40735	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	775.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03442	1.8
59.01387	8.1
67.01892	0.6
69.03450	0.6
71.01382	9.1
71.15635	1.1
72.99313	2.8
73.02944	1.6
75.00885	8.1
83.01379	0.9
85.02958	11.5
87.00887	3.4
87.32307	0.4
89.02447	2.1
93.03447	1.2
95.01395	3.9
97.02969	0.6
99.00899	5.0
100.34119	0.4
101.02465	1.5
103.00395	1.3
107.01400	0.6
109.02984	1.0
111.00916	0.6
112.70031	0.4
112.72663	0.4
113.02465	14.6
114.02806	0.4
114.43454	0.4
115.00391	0.8
117.01929	1.2
120.99654	0.8
121.02973	49.4
122.03300	1.8
123.00889	1.5
123.04555	4.7
124.04871	0.6
125.02467	2.3
129.01987	1.3
135.04517	0.6
137.02469	0.7
139.00386	0.6
149.02466	0.6
151.00372	1.0
151.04114	0.7
157.01433	0.9
161.04562	0.7
161.06136	0.4
163.04044	0.8
164.04799	0.5
168.00615	0.6
169.01456	2.6
175.02538	1.0
177.05617	0.4
182.23405	0.4
191.05667	1.3
192.00710	0.8
193.01418	0.6
193.03575	0.9
205.05093	0.8
207.02980	0.5
221.06676	0.6
231.02843	0.5
231.05087	1.5
249.04054	0.8
249.06171	11.3
257.06906	0.5
275.02011	0.7
300.99863	2.1
311.08063	0.5
313.05682	0.6
327.10751	0.9
337.02048	2.8
338.02283	0.7
353.08978	0.8
369.08325	0.5
371.09836	100.0
372.10175	11.0
373.10458	1.5
387.13458	0.8
403.12460	9.2
404.12811	1.2
417.14026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03451	1.3
58.00599	0.3
59.01385	6.7
60.01712	0.2
67.01893	0.6
68.99820	0.7
69.03442	0.7
70.20800	0.6
71.01387	7.2
71.38233	0.1
72.01698	0.2
72.99317	2.1
73.02941	0.9
75.00880	8.9
81.03485	0.4
83.01396	0.5
85.02962	9.6
86.03309	0.3
87.00882	2.7
89.02445	1.6
91.03997	0.5
93.03483	0.9
95.01399	3.0
97.02988	0.2
99.00896	5.0
101.02480	0.2
103.00414	0.9
109.02949	0.5
111.00892	0.6
111.04517	0.3
113.02469	11.6
114.02831	0.4
115.00380	1.1
115.04020	0.2
117.01957	1.4
120.96885	0.1
121.02975	45.2
122.03299	1.8
125.02422	0.2
129.01976	0.9
130.99896	0.2
139.00439	0.2
157.01428	0.3
175.02536	1.0
189.04083	0.8
231.05110	3.0
246.41391	0.1
249.06152	30.2
250.06500	2.1
251.06714	0.4
267.02689	0.2
268.41446	0.2
311.31970	0.1
315.01553	0.2
333.43112	0.1
353.08844	0.6
371.09845	100.0
372.10211	10.8
373.10413	1.4
374.10333	0.2
534.36884	0.2
540.32983	0.2
602.51093	0.2
650.80115	0.2
657.21704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.7
59.01379	9.2
60.99293	1.2
61.98824	8.8
63.16801	0.7
65.00345	0.7
71.01387	7.8
71.67890	1.0
72.98974	0.6
72.99306	3.4
82.94717	0.6
83.01401	1.1
85.02950	2.0
87.00881	2.1
88.98814	8.4
89.02444	7.5
90.99232	0.7
91.92926	0.6
92.81010	0.6
93.03475	2.0
95.01385	1.4
96.96030	1.1
101.02467	4.0
105.01933	0.7
107.01399	1.1
108.02197	1.5
109.02958	2.3
111.00888	1.6
111.04594	0.8
113.02479	3.0
116.92889	1.2
119.03511	3.0
120.82698	0.7
121.02979	6.8
122.03780	4.8
123.00904	3.8
123.04554	0.9
124.01683	2.2
125.02478	5.5
127.00368	0.8
133.03072	0.9
134.03737	1.2
135.04555	4.8
136.01682	21.3
136.05336	0.6
136.98892	0.7
137.02467	17.3
138.03192	1.0
139.00377	1.3
139.04033	1.1
140.01195	1.0
143.03555	1.2
145.02960	0.7
146.03777	1.2
147.04582	1.0
149.02480	7.3
149.06168	1.0
150.03238	34.4
151.00386	7.2
151.04033	27.5
152.01175	1.5
152.04732	1.3
152.32535	0.7
153.01964	1.3
160.05313	1.4
161.02458	1.5
161.04570	0.8
161.06082	0.9
162.03288	3.7
163.04024	3.0
164.01167	2.2
164.04788	2.7
165.01950	82.2
165.05573	36.3
166.02728	22.5
166.05942	1.9
167.03491	3.6
168.00661	2.1
169.01433	5.5
174.03270	0.8
175.04031	3.9
175.07695	1.2
177.01920	1.7
177.05649	3.1
178.02756	0.9
179.03513	22.6
179.05556	1.7
179.07079	1.4
180.04297	54.9
181.05075	28.5
182.05354	1.3
183.03011	1.5
187.04012	1.3
189.05556	2.9
190.06383	4.7
191.03516	1.2
191.07072	0.7
192.04257	1.0
194.05859	3.8
195.02960	2.9
195.06636	100.0
196.06961	5.5
203.03502	1.6
205.04910	1.5
205.08797	1.6
206.05753	0.9
207.06636	1.4
210.05347	11.2
211.02437	1.5
211.05975	0.9
211.13499	0.8
221.08044	1.1
225.07683	55.4
226.08073	3.0
227.12909	0.9
229.01311	1.0
255.43361	0.7
275.01929	0.9
285.06549	0.9
297.03937	0.7
297.07568	0.8
300.99890	1.9
309.07724	0.9
327.08429	0.6
329.10385	1.0
329.22806	0.7
342.11005	1.7
343.14017	2.8
345.09897	0.8
356.12701	1.5
357.09695	4.4
357.13550	6.8
371.11285	1.0
372.12045	4.2
373.12772	1.9
386.13751	3.3
387.14526	49.3
388.14877	6.0
391.15399	0.7
394.02939	0.7
402.13138	0.8
417.15582	11.1
418.15823	2.0
461.42191	0.6
520.17426	1.0
550.18329	2.1
560.09424	1.0
565.20862	54.0
566.21204	9.9
577.20831	1.7
583.21814	1.2
595.21722	1.8
609.12903	0.7
613.23071	39.9
614.23456	9.5
753.18750	0.7
775.23444	9.0
775.37555	1.3
776.25604	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	773.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03453	1.7
58.00606	0.2
59.01382	4.9
60.92598	0.2
61.17638	0.2
61.98834	1.4
62.22316	0.2
68.62675	0.2
69.03450	1.3
71.01388	4.4
72.99344	0.3
73.02940	0.9
75.00888	0.2
80.02683	1.0
81.03460	0.9
83.01392	0.7
83.05034	4.8
84.02161	0.9
85.02959	6.3
87.00896	0.9
89.02453	2.9
91.04021	0.2
93.03477	0.2
94.55685	0.2
95.01381	0.6
95.05049	0.8
96.96034	0.6
97.02966	1.3
97.06590	1.6
99.00862	0.4
101.02454	3.4
109.06604	0.4
113.02457	2.3
114.13559	0.2
116.92876	1.8
119.03520	0.9
123.08176	0.3
125.02470	0.3
125.06124	0.5
125.09755	0.8
127.11313	0.8
133.05074	0.5
135.08148	0.6
137.09727	2.1
143.03506	0.6
145.05119	0.4
155.10796	0.7
157.05132	0.3
161.04597	1.9
163.11305	3.6
165.12877	2.6
167.10822	0.2
167.14420	0.4
171.10287	18.2
172.10637	0.7
177.12834	0.3
179.05621	0.8
181.12427	0.9
182.12802	0.2
183.13887	1.5
185.11880	0.5
191.10829	0.8
193.12344	0.8
197.11848	0.5
199.13460	0.3
201.11366	1.1
207.10161	0.2
209.11841	100.0
210.12186	7.2
211.13408	7.7
212.11905	0.2
212.13737	0.6
221.11862	1.4
225.11163	0.2
227.12895	13.0
228.13133	1.0
229.14459	5.9
230.14697	0.5
235.08232	8.4
236.08624	0.5
239.12854	1.1
247.20724	0.3
253.09293	18.9
254.09653	1.1
291.19666	3.3
292.19943	0.3
309.20728	7.8
310.21054	0.8
327.21774	60.6
328.22113	6.1
401.25345	0.3
445.20840	2.0
446.21387	0.3
519.33276	1.3
520.33124	0.2
537.34064	0.5
545.29614	1.4
563.30774	4.0
564.31030	0.8
612.31830	0.2
755.43335	0.2
773.46259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
58.00615	1.2
59.01384	13.2
61.98831	18.4
65.81676	1.2
69.03498	1.6
71.01387	30.6
71.42721	3.0
72.99297	2.8
73.02956	4.3
78.95905	4.0
79.75702	1.5
80.02704	2.2
81.03461	3.6
81.94344	1.2
83.01395	3.0
83.05029	8.2
84.02155	1.4
85.02957	5.3
87.00892	4.2
89.02444	5.7
95.01421	1.6
95.05026	3.5
96.96002	2.9
97.02985	4.1
97.06587	3.3
99.00888	3.5
101.02435	8.3
109.06615	10.4
110.03782	1.7
113.02451	3.7
113.09798	1.7
116.92879	4.2
119.03537	1.9
125.09731	5.4
127.11313	3.8
135.08221	3.1
136.69098	1.3
137.09674	2.0
137.28973	1.3
139.07655	1.4
139.11273	3.4
143.03554	1.6
145.05125	1.1
151.11305	2.0
161.04558	4.5
161.09727	1.5
163.11310	9.2
164.11584	1.2
165.12854	5.6
167.10841	2.5
169.12341	3.5
169.32193	1.1
171.10294	73.8
172.10622	4.8
175.11353	1.4
181.12328	4.4
183.13889	3.3
185.11880	7.7
191.10768	2.1
193.12358	4.7
197.11813	4.5
199.09781	1.9
201.11369	25.9
202.11702	2.0
207.10272	27.4
208.10643	2.1
209.11855	100.0
210.12154	11.9
211.13504	12.1
215.12918	3.5
225.11337	45.9
226.11685	3.8
227.12976	11.5
235.08282	7.7
243.12329	2.6
253.09262	23.2
254.09599	1.7
289.18137	2.0
291.19601	10.0
292.20038	1.8
293.21234	12.2
293.24341	1.9
295.22836	1.8
309.20706	8.8
310.21048	2.2
311.22281	64.6
312.22681	6.0
327.21780	2.7
390.99069	1.3
443.19254	2.6
443.61551	1.2
461.20444	9.1
479.21527	1.3
579.73016	1.3
702.87750	1.5
755.42230	5.6
756.42999	2.1
773.43103	7.9
781.28467	1.6
791.17059	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	773.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.8
58.00586	0.3
59.01378	8.6
61.44891	0.3
61.98828	8.0
62.51388	0.3
69.03463	1.9
71.01382	7.1
71.70190	0.3
71.70623	0.5
72.99315	0.4
73.02949	1.6
73.21067	0.4
73.75731	0.3
76.41406	0.3
78.95905	0.5
79.95705	0.3
80.02685	0.3
80.91669	0.5
81.03465	0.7
82.95432	2.5
83.01395	1.1
83.05038	1.9
84.02176	0.6
85.02956	9.6
87.00904	1.7
88.98805	0.7
89.02451	4.5
91.04004	0.5
95.01404	0.5
95.05042	1.2
96.96030	2.3
97.02971	1.4
97.06578	3.1
99.00881	0.6
101.02454	6.5
109.06604	0.8
110.03775	0.4
111.08146	1.6
113.02467	3.7
114.93392	0.4
116.92867	1.8
119.03526	1.0
125.02475	0.6
125.09734	1.5
127.11298	1.9
130.35486	0.4
135.08263	0.4
137.09741	2.1
143.03491	0.7
145.05067	0.4
155.10822	1.0
155.14462	0.6
161.04602	2.0
163.11319	1.3
165.12862	8.4
166.13310	0.4
167.14445	0.4
169.12346	0.6
171.10281	29.8
172.10620	1.5
177.12917	0.4
179.05605	0.8
181.12436	0.4
183.13910	85.8
184.14252	5.6
185.11826	1.3
191.10814	0.4
193.12358	1.3
197.11803	1.6
199.13446	0.6
201.11302	2.2
205.05110	0.3
209.11842	10.6
210.12175	1.3
211.13416	13.6
212.13753	1.0
217.55176	0.3
221.11815	2.2
225.11353	0.6
227.12898	5.5
228.13283	0.7
229.14447	11.4
230.14720	0.8
235.08270	2.4
239.12854	2.1
245.64177	0.4
247.20590	0.3
253.09253	9.2
291.19617	3.0
309.20691	3.6
310.21118	0.5
327.02393	0.4
327.21756	35.3
328.22168	4.1
445.20850	1.0
463.21805	1.9
517.31476	0.6
518.32251	0.4
522.28595	0.4
563.30939	1.0
755.42310	0.5
773.43561	100.0
774.43903	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.1
61.40908	2.0
61.98833	18.1
67.05846	1.7
69.68826	13.7
71.01379	9.1
78.95921	4.3
83.05044	4.0
85.02921	2.1
87.00879	2.6
89.02454	2.8
96.96022	11.3
97.02953	2.0
97.06560	2.2
101.02460	6.6
109.06586	2.2
111.08107	1.9
113.02442	4.5
115.07838	2.1
116.92878	3.1
125.09723	2.3
151.11325	4.2
152.99628	3.8
156.69553	1.8
163.11327	3.1
165.12959	2.5
169.12381	13.2
171.10269	4.4
171.63971	1.8
183.13884	6.9
185.11861	2.3
197.11813	11.8
201.11324	2.3
207.10201	6.1
209.11833	100.0
210.12173	12.4
211.13405	3.7
213.11317	4.0
217.59918	2.2
223.55867	1.7
225.11353	7.3
227.12891	22.6
235.08235	6.2
253.09238	14.4
291.19666	52.2
292.20068	5.6
293.21207	8.6
294.21674	4.5
309.20764	3.8
309.24377	2.3
383.26404	1.9
445.20685	8.8
449.20218	3.5
465.02087	2.4
527.28571	4.1
657.31592	6.0
719.40027	6.4
737.41364	3.0
773.38757	18.2
774.39465	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	773.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.4
57.03449	2.0
58.00584	0.3
59.01381	14.7
62.81491	0.3
67.01890	1.0
68.99829	1.6
69.03450	1.2
71.01385	14.5
71.08305	0.8
72.99310	2.4
73.02947	1.1
75.00877	8.8
78.07816	0.3
79.84930	0.3
81.03450	0.5
83.01399	1.1
83.05047	0.3
85.02959	15.5
86.03268	0.5
87.00882	5.1
89.02455	6.1
91.04029	1.1
91.05546	7.8
93.03467	2.0
95.01395	3.8
98.34578	0.2
99.00899	5.5
99.04544	0.6
101.02461	2.2
103.00380	1.7
109.02999	0.3
111.00901	1.0
113.02463	20.2
114.02793	0.5
115.00406	1.1
115.03961	0.3
117.01965	1.4
117.03474	1.7
119.03516	1.2
121.02970	26.1
122.03301	0.6
129.01965	1.8
131.03535	0.6
135.04535	4.3
137.02461	3.3
139.00342	0.5
143.03511	0.3
144.57030	0.3
149.04652	0.5
151.04222	0.3
151.34004	0.3
157.01450	0.8
162.52225	0.3
169.05121	0.3
175.02515	1.6
179.05602	0.7
179.10844	0.4
189.04060	0.4
205.07098	0.7
207.05107	0.7
207.13919	0.4
209.11842	1.2
231.05161	1.3
249.06145	17.3
250.06381	0.8
251.12988	0.4
256.39203	0.3
263.07690	4.9
264.07965	0.4
267.07193	46.7
268.07538	2.1
269.13879	0.8
285.04135	0.3
299.65308	0.3
341.10910	1.1
385.11398	100.0
386.11771	10.5
387.08701	0.6
387.12991	0.4
415.72849	0.3
449.20322	0.5
593.24371	2.6
594.25092	0.5
611.25793	0.5
773.30957	3.8
774.31824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81092	0.7
57.03444	5.4
58.00603	3.9
59.01379	91.0
60.01706	1.0
60.99294	0.9
61.98824	2.7
67.01877	0.9
68.99804	1.7
69.03441	1.7
71.01384	65.0
72.99308	5.9
73.02952	4.1
75.00880	10.6
81.03473	1.0
83.01392	7.8
85.02962	24.2
87.00880	10.4
89.02455	53.2
90.02803	1.0
91.03967	0.8
91.05526	5.5
93.03469	4.8
95.01395	8.2
97.02991	1.0
99.00903	7.2
99.04530	8.2
101.02460	28.2
103.00385	1.4
107.03544	0.8
111.00898	2.0
113.02462	43.0
114.02758	1.4
115.00381	1.5
117.01971	2.2
117.03484	1.3
119.03512	15.1
121.02124	1.7
121.02978	30.4
122.03320	1.8
125.02458	2.5
129.01945	2.3
131.02507	0.7
131.03452	3.9
133.01564	0.8
135.04558	4.6
137.02455	11.2
143.03519	5.3
145.02956	1.0
146.76273	0.8
149.04564	2.3
161.04587	5.2
165.12811	1.3
169.01425	1.9
175.02486	1.9
179.05637	13.5
184.91585	0.8
189.12820	1.4
207.13911	10.7
209.11845	24.7
210.12294	1.0
225.14941	3.6
227.12871	2.5
231.04944	1.3
249.03717	1.5
249.06151	19.6
250.06554	1.1
251.12929	6.2
252.13435	1.3
263.07730	6.7
267.07196	43.7
268.07507	3.4
269.13956	16.0
283.02567	1.1
285.04034	1.6
287.15051	1.8
300.99811	1.8
304.70099	0.8
323.09723	1.8
341.10913	24.5
342.11505	1.5
359.15262	0.9
365.18195	1.4
383.11969	5.9
385.11407	100.0
386.11725	10.4
387.08957	2.2
389.18228	4.5
431.19540	3.8
449.20370	6.3
575.23340	2.8
593.24493	39.3
594.24799	6.5
611.25781	9.6
612.26257	0.8
755.30676	1.3
773.31104	75.4
774.31573	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03441	1.7
58.00590	0.5
59.01379	8.0
67.01897	0.7
68.99818	1.6
69.03462	1.0
71.01386	9.4
71.69230	0.3
72.01748	0.2
72.99314	2.9
73.02943	1.4
75.00879	9.7
81.03458	0.7
83.01393	0.8
85.02957	10.8
86.03290	0.3
87.00880	3.3
88.01234	0.2
89.02444	2.3
91.04020	0.5
93.03484	1.1
95.01401	3.4
97.02922	0.3
99.00893	5.3
99.04512	0.3
101.02460	0.8
103.00378	1.1
103.04013	0.2
109.02965	0.4
111.00867	0.8
111.04523	0.4
113.02464	13.2
114.02800	0.4
115.00381	1.1
117.01957	2.0
121.02969	51.0
122.03287	1.8
123.04536	0.3
125.02472	0.3
129.01953	1.1
130.99878	0.2
137.02394	0.3
157.01445	0.4
165.01843	0.2
175.02502	1.5
189.04050	0.8
189.12656	0.2
207.14149	0.2
209.11938	0.3
231.05098	3.0
249.06139	33.0
250.06470	1.8
300.99860	0.3
311.07797	0.3
316.93677	0.2
328.23221	0.2
353.08850	0.8
371.09839	100.0
372.10184	10.5
373.10645	0.2
393.01270	0.2
401.12146	0.2
401.17960	0.4
402.18808	0.2
449.20438	0.2
554.44391	0.2
695.50269	0.2
775.31439	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03449	1.2
59.01077	0.4
59.01379	7.6
67.01891	0.5
68.99839	0.3
69.03454	0.8
70.01425	1.1
71.01388	8.1
72.99316	2.9
73.02956	1.5
75.00879	8.6
83.01390	0.6
83.44951	0.2
85.02959	11.0
86.03288	0.2
87.00883	3.2
89.02449	2.2
93.03472	0.6
95.01395	3.2
99.00893	5.1
100.96136	0.2
101.02463	1.4
103.00406	1.5
109.02972	0.4
111.00923	0.4
112.01719	0.3
113.02470	12.8
114.02803	0.3
115.00368	1.0
117.01945	1.4
119.03496	0.5
121.02971	47.8
122.03290	1.9
123.00887	0.3
123.04533	2.3
125.02479	1.0
129.02007	1.0
131.03481	0.3
133.01447	0.2
135.04573	0.3
136.05289	0.3
137.02437	0.2
140.00787	0.2
145.03052	0.2
147.04562	0.9
149.04561	0.4
151.00432	0.3
153.02055	0.2
157.01466	0.4
161.04581	0.7
164.04770	0.2
165.05542	0.4
167.03406	0.2
169.01419	0.7
175.02501	1.2
177.01904	0.3
179.05598	0.3
181.01428	0.3
189.03951	0.3
190.99875	0.8
192.00699	2.0
193.03554	0.6
206.02176	0.5
207.02992	3.0
207.04843	0.4
221.06750	0.4
231.03064	0.3
231.05086	1.7
249.06151	9.4
250.06450	0.7
275.01773	0.3
299.99359	0.2
300.99945	1.5
311.08026	0.2
327.10886	1.8
345.00314	0.2
353.08798	0.4
369.08145	3.1
369.12570	0.2
370.08707	0.5
371.09824	100.0
372.10181	10.1
401.10995	1.1
403.12360	1.2
422.18552	0.2
443.12177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03449	1.2
59.01077	0.4
59.01379	7.6
67.01891	0.5
68.99839	0.3
69.03454	0.8
70.01425	1.1
71.01388	8.1
72.99316	2.9
73.02956	1.5
75.00879	8.6
83.01390	0.6
83.44951	0.2
85.02959	11.0
86.03288	0.2
87.00883	3.2
89.02449	2.2
93.03472	0.6
95.01395	3.2
99.00893	5.1
100.96136	0.2
101.02463	1.4
103.00406	1.5
109.02972	0.4
111.00923	0.4
112.01719	0.3
113.02470	12.8
114.02803	0.3
115.00368	1.0
117.01945	1.4
119.03496	0.5
121.02971	47.8
122.03290	1.9
123.00887	0.3
123.04533	2.3
125.02479	1.0
129.02007	1.0
131.03481	0.3
133.01447	0.2
135.04573	0.3
136.05289	0.3
137.02437	0.2
140.00787	0.2
145.03052	0.2
147.04562	0.9
149.04561	0.4
151.00432	0.3
153.02055	0.2
157.01466	0.4
161.04581	0.7
164.04770	0.2
165.05542	0.4
167.03406	0.2
169.01419	0.7
175.02501	1.2
177.01904	0.3
179.05598	0.3
181.01428	0.3
189.03951	0.3
190.99875	0.8
192.00699	2.0
193.03554	0.6
206.02176	0.5
207.02992	3.0
207.04843	0.4
221.06750	0.4
231.03064	0.3
231.05086	1.7
249.06151	9.4
250.06450	0.7
275.01773	0.3
299.99359	0.2
300.99945	1.5
311.08026	0.2
327.10886	1.8
345.00314	0.2
353.08798	0.4
369.08145	3.1
369.12570	0.2
370.08707	0.5
371.09824	100.0
372.10181	10.1
401.10995	1.1
403.12360	1.2
422.18552	0.2
443.12177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
62.19608	0.1
69.88037	0.1
70.90533	0.3
71.01401	0.2
76.94966	0.1
84.58187	0.1
87.00883	0.1
89.02422	0.2
93.62330	0.1
94.91550	0.1
99.10842	0.1
99.61391	0.1
101.02475	0.2
109.02946	0.1
116.04214	0.1
116.05072	2.4
117.05453	0.1
119.05040	0.2
123.00885	0.2
125.02484	0.4
138.43640	0.1
151.00298	0.1
159.03194	0.5
160.04066	100.0
161.04408	5.4
163.04042	0.2
169.01385	0.5
174.02046	0.1
204.03033	4.3
205.03348	0.3
211.02379	0.1
223.95520	0.1
231.02913	0.1
241.00314	0.1
249.03986	0.3
271.04504	0.1
301.00073	0.5
323.13367	0.1
331.07028	0.2
335.13504	0.3
336.13898	0.2
366.08319	47.2
367.08664	5.1
368.08902	0.1
405.10373	0.2
449.13293	0.5
477.12695	0.2
479.13953	0.2
481.18668	0.1
483.07928	0.1
487.03424	0.1
623.77142	0.1
721.67236	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
57.03442	2.4
58.00589	1.5
59.01382	15.6
62.64728	0.6
69.03455	3.0
70.17509	1.4
70.17915	2.0
70.18625	0.6
71.01388	47.5
71.05029	1.1
72.99306	1.5
73.02954	7.3
73.62471	0.5
75.00904	0.6
80.02680	2.6
81.03483	3.2
83.01399	2.6
83.05042	7.3
84.02169	1.8
85.02953	6.7
87.00878	2.9
89.02453	6.6
91.04000	0.7
93.03502	0.6
95.01398	2.3
95.05052	4.1
97.02966	10.3
97.06615	3.3
99.00893	2.6
99.04526	0.6
101.02461	11.6
106.04255	1.2
107.05042	0.8
108.43449	0.6
109.06602	12.1
110.03733	1.4
111.00900	1.8
111.04562	1.1
111.08167	3.1
113.02467	6.7
119.03510	2.1
119.08669	1.0
121.06629	1.2
121.10332	0.7
123.04539	1.9
123.08195	1.3
125.02516	1.1
125.06122	1.6
125.09732	7.7
127.11299	3.5
129.01949	0.7
135.08165	2.8
136.05249	0.9
137.02431	1.3
137.09692	3.8
139.07678	1.3
141.12878	0.8
143.03513	3.2
145.05070	1.7
149.09721	1.5
151.11272	1.2
153.09152	0.8
153.12822	0.8
155.10797	2.0
161.04535	4.8
161.09717	1.7
162.10455	0.6
163.07625	0.9
163.11317	19.1
165.09204	1.8
165.12859	8.5
166.10109	0.6
167.10808	2.3
169.12349	2.2
171.10286	81.2
172.10629	3.9
179.05624	1.5
179.10750	1.1
179.14389	1.3
181.12381	6.7
183.10246	0.9
183.13959	0.8
185.11806	8.2
189.09225	2.2
191.10811	2.2
191.14430	2.3
193.12292	1.4
193.15994	0.7
197.11844	13.7
198.12306	0.7
199.09772	2.1
199.13383	1.0
201.11339	38.8
202.11685	1.8
205.12419	0.7
207.10284	36.6
208.10587	2.5
209.11838	100.0
210.12175	5.4
211.13373	4.6
215.12915	3.6
217.15948	0.8
223.13280	0.8
225.11327	63.1
226.11646	4.0
227.12901	13.9
228.13556	0.8
235.08235	8.8
237.11346	0.9
243.12363	4.4
245.19069	5.2
247.20786	3.8
253.09279	28.5
254.09673	1.5
263.20132	2.0
271.16916	0.9
273.18588	2.6
274.18826	0.7
289.18100	13.9
290.18579	1.5
291.19653	45.5
292.19958	3.8
295.10333	2.0
307.19113	10.1
308.19504	1.1
309.20715	83.5
310.21158	6.5
320.98785	0.6
405.17950	0.7
407.19275	1.7
443.19077	2.9
461.20306	12.8
462.20410	1.3
463.30521	1.1
479.21335	1.9
493.30994	1.0
545.29919	0.9
587.30792	0.8
753.41071	6.8
754.40619	1.3
771.42157	3.5
772.41992	1.0
778.85791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03442	3.1
58.00587	1.1
58.59941	0.6
59.01376	9.7
61.98838	8.6
63.47198	0.7
63.68082	0.6
66.53200	0.6
68.99825	1.0
69.03459	1.6
69.68613	3.7
69.69025	1.8
71.01386	22.8
72.99300	1.0
73.02943	2.3
75.00877	0.8
78.95919	2.7
79.95727	1.9
81.03442	1.6
83.01384	2.2
83.05034	3.0
85.02972	3.1
87.00884	2.1
89.02465	5.8
94.92528	0.9
94.98095	12.3
95.01397	1.0
95.05048	1.1
97.02956	2.4
97.06586	4.0
97.08475	0.7
98.19923	1.5
99.00893	1.6
101.02444	7.5
106.04250	0.7
109.06605	3.9
111.00922	0.9
111.08181	1.7
113.02467	5.2
116.92883	6.7
119.03489	2.2
125.02491	0.9
125.09744	5.3
137.09743	1.4
139.11240	0.7
145.05115	1.7
151.11336	3.3
152.99687	1.0
153.36334	0.9
161.04546	2.9
162.79585	0.7
163.11276	4.3
165.12868	15.3
166.13069	1.1
167.10786	2.1
168.45851	0.7
169.12373	4.5
171.10269	11.7
171.11639	1.0
172.10573	0.9
177.12885	1.2
179.05623	1.2
179.10748	2.4
181.12415	3.3
183.13908	100.0
184.14276	5.5
185.11826	3.0
191.10791	1.6
191.14388	2.1
193.12375	1.1
195.13852	0.9
197.11841	11.4
198.12173	1.1
199.13461	1.7
201.11366	3.3
207.10284	7.4
208.10660	0.9
209.11826	53.9
210.12178	4.2
210.83182	0.7
211.13417	6.3
221.11876	1.2
223.09758	1.3
223.13400	1.6
224.10086	0.9
225.11365	8.6
227.12889	20.6
228.13347	1.2
229.14520	0.8
235.08211	5.2
239.12921	1.5
245.19064	4.6
253.09274	15.3
254.09653	1.3
263.20132	2.7
271.17133	1.1
272.19284	0.8
275.20245	2.0
279.19705	1.5
289.18082	14.2
290.18384	1.7
291.19632	5.1
292.20013	0.8
293.21213	12.9
294.21512	1.5
303.66669	0.8
307.15616	1.0
307.19141	17.2
307.22339	0.9
308.19516	2.3
309.20755	7.0
310.21011	0.8
311.22113	2.2
325.23703	3.5
327.21805	3.1
364.07870	0.8
399.02057	0.8
416.60718	0.8
445.20813	5.7
460.18976	0.8
461.19952	2.0
463.21765	7.1
652.88025	0.8
655.33484	2.0
669.71338	0.9
673.34460	1.1
685.34686	3.2
753.40753	11.1
754.41095	2.2
771.41608	9.1
772.41919	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	771.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.0
61.98832	5.1
74.32850	0.5
78.95908	9.3
79.95744	3.1
80.96519	0.6
94.98077	0.7
96.96021	100.0
96.96938	14.6
97.81361	0.5
98.20651	1.2
126.69638	0.6
165.35516	0.5
209.11842	0.5
229.79652	0.6
322.31244	0.5
461.50809	0.6
506.82257	0.6
760.09143	0.6
771.33728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.92923	0.2
57.03439	2.2
58.00602	0.3
59.01380	5.4
60.29907	0.2
61.98835	0.2
67.01884	1.7
68.99821	2.5
69.03460	1.4
69.62160	1.6
71.01383	8.1
72.30217	0.2
72.99316	0.8
73.02950	0.6
75.00867	1.8
81.03429	0.2
83.01382	1.1
85.02957	8.3
86.00100	0.3
87.00880	2.4
89.02444	2.3
91.04020	1.6
91.05552	1.2
93.03467	0.7
95.01393	2.4
95.05049	0.3
96.96030	0.3
97.02975	0.6
97.06624	0.3
99.00900	0.9
99.04494	0.2
100.01711	0.2
101.02459	0.9
103.00423	0.2
109.02986	0.4
109.06619	0.2
111.00909	2.3
111.04532	0.3
111.47318	0.2
112.01649	0.4
113.02464	8.0
114.02798	0.2
115.00388	0.3
115.04024	0.2
117.01962	0.3
121.02969	93.0
122.03295	3.8
123.04531	0.8
125.02449	0.3
126.31449	0.2
127.04023	0.2
129.01947	1.0
129.48517	0.2
135.04533	0.7
137.02481	0.3
139.00394	1.3
143.03517	0.6
147.08173	0.8
149.09717	0.2
151.11263	0.4
157.01450	0.7
161.04593	1.8
161.09805	0.3
163.11305	0.2
163.18710	0.2
164.08463	0.3
169.05000	0.4
177.12935	0.3
179.10791	9.8
179.40802	0.2
180.11160	0.6
187.11285	1.0
189.04129	0.5
203.10878	0.5
205.12337	8.3
206.12640	0.6
207.05064	0.2
223.13380	1.1
231.05083	1.5
249.06172	3.5
263.07700	20.6
264.08054	1.2
267.07190	9.2
267.10165	0.3
268.07590	0.2
300.99857	0.3
341.15976	1.0
353.08795	0.8
385.11392	100.0
386.11740	11.4
642.46460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
57.03452	1.9
58.00582	1.3
59.01382	20.0
67.01892	2.2
68.99815	0.8
69.03471	0.9
71.01388	25.4
71.71119	0.5
72.99306	2.1
73.02945	4.0
75.00883	0.4
79.53381	0.3
83.01399	3.1
83.05053	0.4
85.02959	13.8
86.00100	0.5
87.00888	2.8
89.02457	12.9
93.03448	0.6
95.01398	3.9
95.05040	0.6
97.02962	2.1
99.00893	1.9
101.02457	13.5
108.05831	0.7
109.02968	0.6
111.00896	2.5
111.04542	0.7
113.02466	15.8
113.06116	1.1
119.03522	4.2
119.05026	0.6
121.02972	100.0
122.03264	3.5
123.00871	0.4
123.04548	0.9
123.08158	1.1
124.01745	0.5
125.02526	1.7
125.06107	1.0
129.01978	1.6
131.03531	0.6
135.08157	0.5
136.05292	0.9
137.02495	1.1
138.06891	5.7
139.00401	1.6
139.07712	2.6
143.03532	1.7
149.04527	0.6
151.07666	6.5
152.04921	0.4
152.08458	9.5
153.09233	28.8
154.09573	1.4
157.01442	0.7
159.03001	1.4
161.02539	0.5
161.04568	12.1
162.04982	0.4
163.11269	0.7
165.09200	0.6
167.07141	0.4
169.01482	0.6
169.05080	0.5
177.01953	1.3
179.03438	0.8
179.05649	5.4
179.10886	0.4
189.04047	0.4
190.02765	0.4
205.03438	0.4
205.05136	0.6
205.12346	10.1
206.08369	0.4
206.12708	0.6
223.13403	15.0
224.13797	1.1
249.06122	0.6
263.07693	5.7
267.07187	0.5
278.38580	0.4
300.99847	0.7
305.06818	0.5
306.81113	0.4
353.08810	0.4
371.09811	2.2
383.13440	0.4
385.11411	91.4
385.18741	36.6
386.11749	10.8
386.19092	3.9
542.65173	0.4
637.58710	0.4
656.27094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03449	1.7
58.00596	0.7
59.01380	14.1
62.50853	0.3
65.09332	0.3
67.01897	2.3
68.99809	1.0
69.03450	0.8
69.90816	0.3
71.01386	17.6
71.59510	0.3
71.74509	0.4
72.01720	0.4
72.99326	1.5
73.02957	2.9
75.00887	0.7
77.03967	0.4
83.01400	2.3
83.05034	0.3
84.02161	0.4
85.02962	11.9
86.00117	0.4
87.00897	3.1
89.02454	7.2
89.59489	0.3
93.03474	1.0
95.01411	3.3
95.05017	0.5
97.02951	1.3
99.00892	1.1
101.02454	8.5
108.02120	0.3
109.02954	0.5
109.06570	0.4
111.00896	2.4
112.01665	0.6
113.01671	0.6
113.02467	11.3
113.06120	0.5
114.02804	0.3
115.00325	0.3
119.03521	2.1
119.05010	0.8
121.02972	100.0
122.03288	3.8
122.03935	0.3
123.04574	0.8
123.08191	0.7
125.02463	1.7
125.06101	0.3
128.26860	0.3
129.01952	1.2
131.03555	0.5
133.06952	0.4
135.06528	0.4
136.05301	0.7
137.02460	0.7
137.06088	0.3
138.06892	3.7
139.00394	1.7
139.04008	0.5
139.07703	2.1
139.11708	0.3
143.03487	1.5
148.20140	0.3
149.06075	0.5
151.07649	3.8
152.08458	5.0
153.09233	17.1
154.09525	0.9
154.92499	0.3
157.01466	0.6
159.02995	0.8
161.04596	6.8
161.05984	0.7
163.11302	0.5
165.02080	0.3
165.09219	0.4
167.63159	0.4
169.01442	0.7
169.05043	0.6
177.01961	1.3
179.05649	3.3
179.07170	0.5
189.04041	0.6
190.10039	0.4
191.05681	0.5
205.05115	0.8
205.12329	7.1
206.12642	0.6
223.13400	9.1
224.13664	0.5
231.05080	0.7
239.05478	0.5
246.72623	0.3
249.03854	0.4
249.06099	0.8
263.07715	6.7
264.39111	0.3
267.07288	0.5
275.02023	0.4
281.20743	0.3
300.99988	0.8
305.06863	0.7
319.69354	0.4
353.08740	0.9
371.09833	2.1
383.13586	0.7
384.14023	0.6
385.11401	94.6
385.18628	21.0
386.11725	8.6
386.18921	2.0
493.78546	0.3
591.50073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1812
Annotation	Quercetin 3-O-beta-(6''-O-E-p-coumaroylglucoside)-7-O-beta-glucoside
Peak:m/z	Relative Intensity
56.65239	0.4
59.01375	2.5
61.98825	2.2
63.02408	1.6
65.00321	3.0
71.01386	1.3
73.02943	0.6
83.01405	2.0
87.00872	0.8
89.02479	0.9
93.03467	1.3
93.48487	0.5
95.01404	0.6
96.96025	12.2
98.19829	1.0
99.00911	0.5
99.53036	0.6
101.02457	0.7
107.01408	7.6
108.02190	1.9
109.02988	2.5
116.92908	0.9
117.03465	1.5
119.01479	0.4
119.05038	0.9
121.02992	5.8
124.01730	0.5
125.02444	2.5
135.00928	0.8
135.04607	0.5
135.17256	0.5
137.02507	0.9
139.03986	0.7
145.02972	4.2
147.04492	0.7
148.01685	1.3
149.02473	3.4
150.03258	3.4
151.00397	30.2
152.00827	0.9
156.31291	0.4
159.04515	0.9
161.02505	0.8
163.00366	3.4
163.04053	1.2
164.01126	1.4
165.01967	1.0
165.05598	3.3
166.02751	1.1
166.06053	1.0
167.07188	1.0
169.01439	4.8
175.04042	1.1
177.01949	0.7
178.99886	14.0
179.07007	0.6
180.00281	0.5
181.05087	1.2
183.04448	0.6
187.04018	1.0
190.99944	0.5
191.03442	0.6
192.00568	0.7
193.01424	0.8
195.06665	2.8
199.03984	1.4
201.05688	0.6
211.04034	1.0
215.03479	0.6
216.04190	0.7
220.07452	1.3
226.02701	1.2
227.03587	2.5
228.04031	0.5
229.05061	1.7
243.02965	9.6
244.03592	1.2
245.04559	1.8
249.11388	2.3
254.02170	2.1
255.02971	23.9
256.03482	1.6
257.04550	0.8
271.02487	47.8
272.02841	5.7
273.04031	2.3
283.02429	1.3
284.03375	0.5
286.08472	0.9
299.02057	4.5
300.02768	94.9
301.03522	92.0
301.10745	2.2
302.00439	0.7
302.03876	8.6
307.08359	0.7
313.12927	2.1
313.26059	0.6
343.11786	0.6
463.08810	33.7
464.09210	4.4
539.20398	0.7
609.12646	100.0
610.13068	19.0
625.14447	1.1
673.21619	0.7
771.18097	11.2
771.31464	1.1
772.18695	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	770.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75854	0.1
61.98832	100.0
62.31191	0.1
62.98537	0.2
62.99267	0.1
71.01389	0.1
71.02862	0.1
71.03204	0.2
78.95956	0.1
79.95739	0.1
80.96519	0.5
94.98120	0.2
101.02499	0.1
106.89866	0.1
164.98618	0.1
183.88721	0.1
211.13474	0.2
212.13770	0.1
213.13986	0.1
225.00867	0.2
277.21857	0.3
278.22116	0.2
279.22476	0.1
521.41315	0.1
535.77533	0.1
636.47076	0.1
664.53265	0.1
769.88049	0.1
770.43011	0.2
771.40436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
67.52921	0.1
69.31845	1.2
69.32263	0.4
71.01389	0.3
72.84554	0.1
74.88256	0.1
78.95930	0.3
78.98635	0.2
79.95729	0.3
80.96519	1.6
82.49132	0.1
82.96114	0.4
88.55844	0.1
89.28320	0.1
94.98104	0.4
101.03088	0.1
148.99188	0.2
152.98619	0.2
164.98665	0.3
169.33073	0.1
171.10245	0.2
207.10408	0.2
209.12045	0.1
225.00829	0.4
267.23273	0.3
278.21924	0.2
374.65790	0.1
432.83682	0.2
770.41541	1.0
771.40228	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	769.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.4
61.98835	7.3
69.03457	0.8
71.01384	6.2
72.99330	0.6
78.95914	2.2
81.03495	0.7
83.01395	0.6
83.05035	0.9
85.02961	1.1
87.00892	1.2
87.27158	0.6
89.02441	2.3
97.02983	0.7
99.00884	0.6
101.02470	3.4
107.05045	0.7
109.06646	0.8
111.04546	0.7
111.09785	0.5
113.02447	1.3
114.93437	6.3
115.00396	1.0
116.92875	1.7
119.03511	1.0
125.02450	0.7
125.09759	0.9
125.40767	0.7
152.99632	1.2
153.12871	1.0
161.04572	1.9
163.11330	0.7
169.12366	6.6
171.10283	4.2
173.46066	0.5
177.73543	0.5
179.05730	0.6
179.10774	1.3
179.14444	0.6
195.13898	5.4
197.11841	100.0
198.12198	6.0
199.13290	0.5
205.08763	1.0
207.10268	1.6
209.11858	3.4
211.13414	1.7
213.11252	0.9
218.72252	0.6
223.09793	2.8
223.13351	3.1
225.11369	1.2
227.12909	1.1
228.13440	0.6
235.08218	4.4
253.09265	14.9
253.11768	1.1
254.09860	0.7
255.23328	0.7
275.20187	4.7
289.18158	0.7
289.77884	0.5
291.19601	1.8
293.21222	63.0
294.21594	5.9
307.19278	0.9
309.20767	3.2
309.23773	0.6
323.22064	0.5
433.20740	10.7
434.20895	1.0
473.32462	0.8
489.17493	0.6
529.30151	2.0
709.41760	0.8
751.39288	1.4
769.41431	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	769.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
55.68800	0.5
57.00504	0.5
57.03452	0.7
59.01375	7.4
61.98831	100.0
63.99234	0.9
69.03464	0.5
71.01387	7.1
71.70645	0.7
72.99285	0.7
73.02949	1.3
74.56945	0.4
75.00906	0.8
78.95927	1.0
78.98614	0.6
79.95751	3.9
80.02697	1.3
80.96515	6.2
81.03466	1.7
83.01398	2.0
83.05048	5.3
84.02180	0.9
85.02962	2.0
87.00896	2.0
88.98837	1.5
89.02455	3.2
93.03468	1.1
94.98109	4.1
95.05043	1.4
96.05421	0.4
96.96027	4.6
96.96945	0.9
97.02952	2.0
97.06579	3.0
99.00906	0.9
101.02472	5.2
109.06619	7.2
111.00867	0.5
111.04585	0.5
111.22232	0.5
113.02473	2.2
116.92881	1.9
117.07114	0.9
119.03485	0.5
121.02995	1.3
121.06604	0.6
123.08162	0.9
124.01655	0.7
125.02471	1.7
125.06133	0.7
125.09750	2.1
135.08163	3.6
136.05264	0.7
145.02997	0.7
158.07385	0.7
159.08168	0.9
161.04584	1.6
161.09737	1.2
163.11308	6.5
164.98624	0.5
165.12848	1.8
168.00757	0.6
171.10292	3.6
179.05664	0.7
179.10786	0.7
181.12332	2.0
183.13875	0.6
185.11819	1.8
191.10858	0.7
193.01839	0.6
199.24440	0.5
201.11258	0.7
207.10284	14.2
207.13628	0.5
208.10638	0.7
209.11844	85.1
210.12181	6.1
211.13393	2.4
217.15898	1.0
225.00630	0.9
225.11319	8.2
226.11682	0.7
227.12901	11.7
229.14497	0.7
233.19221	0.6
235.08176	3.1
243.17622	1.0
253.09302	10.4
255.03009	0.8
261.15036	1.2
261.18597	1.1
269.15427	0.8
271.02435	0.6
275.16599	1.0
277.18094	2.7
279.16174	1.1
283.02438	0.5
284.03336	0.7
285.04016	1.9
287.16534	18.9
288.16840	2.0
300.02771	1.0
301.03238	0.5
305.17563	24.2
306.17892	2.7
315.05106	0.5
357.13461	3.5
399.21722	1.1
417.22653	1.3
443.19366	1.0
445.20825	1.2
461.20135	2.2
523.25555	0.8
541.26373	1.7
635.30878	3.2
636.31329	0.6
653.32037	4.0
654.32324	0.8
671.32758	6.6
672.33234	1.3
709.40796	0.6
723.33948	0.7
725.37299	0.6
733.38074	1.3
751.40118	4.6
752.39648	1.0
769.31732	4.3
770.37189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51134	0.4
55.01873	0.7
57.03445	1.6
58.00596	0.5
58.89587	0.3
59.01381	5.9
60.06539	0.3
60.77936	0.3
61.98828	4.8
67.01906	0.4
67.22127	0.3
69.03458	4.3
71.01377	6.8
71.05016	1.5
71.14878	0.8
71.15254	0.8
72.99318	0.6
73.02952	1.7
75.00880	0.8
80.02688	0.5
81.03458	0.6
83.01401	0.9
83.05027	1.1
85.02945	2.5
87.00896	1.5
89.02445	2.5
95.01416	0.7
95.05041	0.6
96.96025	0.4
97.02953	1.2
97.06615	1.4
99.00883	1.6
101.02462	4.4
108.02223	0.6
109.06649	0.7
111.08161	5.2
113.02452	3.0
119.03513	0.6
123.08176	1.4
125.09727	2.8
127.07710	0.5
129.03415	0.4
135.08206	0.6
137.09772	0.5
151.11313	3.1
153.12878	1.9
161.04550	1.8
161.09738	3.6
163.11307	1.0
165.12953	0.6
167.10809	0.4
168.58035	0.4
169.12344	3.4
171.10255	3.4
179.05560	0.5
179.10808	7.1
180.11143	0.8
181.12424	1.0
183.13902	1.8
185.11855	0.8
196.09303	0.4
197.11844	82.6
198.12209	5.0
199.13452	1.2
205.08653	0.5
207.10327	1.9
209.11798	3.3
211.13388	4.2
222.96373	0.4
223.09761	2.0
225.11275	3.2
227.12895	1.4
234.52400	0.4
235.08235	0.9
241.10803	3.2
253.09235	3.4
254.09521	0.5
263.20197	1.3
287.16486	0.5
289.18082	0.7
291.19580	3.2
307.19104	0.8
309.20691	5.8
310.20935	0.5
459.18546	0.8
461.19806	0.7
476.82837	0.4
477.19788	1.7
607.34851	0.4
625.94598	0.4
671.32928	0.5
751.39563	1.2
752.39301	0.5
769.40381	100.0
770.40741	29.4
792.40515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26331	0.9
55.01884	1.1
57.03437	3.8
59.01377	18.2
61.98832	6.1
67.01895	1.2
68.99809	9.2
69.03449	5.6
71.01385	45.5
71.05013	1.1
72.01699	1.0
72.99303	3.9
73.02937	4.5
75.00888	1.3
79.37451	0.9
80.02660	1.2
81.03458	3.1
83.01402	5.4
83.05035	8.5
85.02953	6.2
87.00870	5.7
89.02444	8.2
91.04001	1.0
93.03455	1.5
95.01395	4.2
95.05026	3.2
97.02959	15.5
97.06618	6.0
98.20667	1.6
99.00871	3.8
101.02457	12.1
107.05009	2.6
108.02190	1.1
109.02945	2.9
109.06597	7.1
110.03768	6.5
111.00903	3.0
111.04532	27.0
111.08183	6.3
111.08823	1.2
112.04839	1.2
113.02474	7.9
119.03518	1.9
119.08682	1.5
120.05726	0.8
121.03000	1.0
121.06615	0.9
122.03745	2.2
123.04521	3.8
123.08199	5.4
125.02453	1.4
125.06077	2.5
125.09739	12.0
127.11272	1.7
133.06622	1.2
135.04506	1.0
135.08148	2.9
137.09715	5.9
139.07658	2.2
141.01952	2.0
141.09242	1.5
141.12801	1.4
142.02739	1.0
143.03548	1.9
145.05048	2.0
149.09734	2.1
149.96942	0.9
151.07585	1.6
151.11342	6.8
153.09225	6.4
155.10757	2.1
161.04599	4.4
161.08449	1.0
161.09732	13.9
163.07668	1.1
163.11272	7.5
165.12866	6.8
167.10759	1.5
169.12373	4.2
171.10275	84.3
172.10629	4.8
177.09221	8.3
179.05603	2.3
179.10793	21.1
179.14389	1.4
181.12364	3.4
183.10286	1.9
183.13921	1.1
185.11853	6.1
187.07784	1.0
187.09676	2.1
191.14345	1.5
193.12379	2.2
193.16064	1.3
195.10246	3.3
197.11829	31.4
198.12155	2.5
199.09741	2.6
201.11342	5.1
205.08693	28.3
206.09056	2.0
207.10262	13.2
209.09839	1.6
209.11833	31.2
210.12193	2.6
211.13368	6.2
213.11299	12.2
215.12968	1.2
221.11804	2.1
222.12196	1.2
223.09752	82.8
223.13164	2.2
224.10094	4.9
225.11324	14.2
226.11679	0.9
227.12863	8.0
235.08264	10.0
235.13408	0.9
236.08498	0.9
239.12968	1.1
241.10776	7.0
245.19106	3.6
247.20671	4.6
253.06573	1.5
253.09268	31.5
254.09492	2.1
263.20172	1.9
273.18494	3.2
287.16425	1.7
289.18042	5.9
291.19644	60.5
292.19916	7.1
293.12799	1.2
305.17548	2.5
307.19098	4.0
309.20706	100.0
310.21060	11.7
323.18637	0.9
323.22269	1.0
333.20636	1.3
407.19046	2.6
419.19043	1.2
423.16620	1.1
441.17468	6.9
459.18658	11.1
460.18765	2.3
461.20160	2.3
477.19638	2.0
515.30157	1.3
527.28534	2.2
545.29492	3.8
558.63556	1.0
568.36560	1.0
725.37640	2.7
733.38123	1.8
741.40808	2.0
742.39301	1.1
751.39441	24.7
752.39337	7.3
769.40326	39.8
770.40857	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	769.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03458	1.6
59.01380	7.4
61.98834	8.7
67.01879	0.6
69.03456	4.3
69.75597	0.3
69.94649	0.3
71.01385	8.9
71.05042	1.7
71.32452	0.7
72.99313	1.0
73.02964	1.6
75.00874	1.4
78.15681	0.4
78.95920	0.4
80.02676	0.5
81.03484	0.6
83.01409	1.6
83.05036	1.9
85.02962	2.7
87.00880	1.6
89.02456	2.6
92.67854	0.3
95.01398	1.1
95.05044	0.5
96.96035	0.4
97.02966	0.9
97.06580	1.6
99.00896	1.6
101.02464	4.7
105.53867	0.3
108.02187	0.6
109.06595	1.5
111.04521	0.7
111.08186	3.7
113.02462	4.2
119.03521	0.5
123.04478	0.4
123.08162	0.9
125.06083	0.5
125.09727	2.6
128.60295	0.4
129.01971	0.5
131.03505	0.6
137.09738	1.0
143.22977	0.4
145.05106	0.5
149.09769	0.5
151.07661	0.5
151.11316	3.1
153.12872	2.2
161.04604	2.0
161.09726	3.5
163.11298	1.2
165.12868	0.5
167.10666	0.4
169.12357	3.1
171.10275	4.9
179.05643	0.5
179.10797	6.4
181.12384	0.9
183.13875	1.4
185.11888	0.8
195.13911	0.6
197.11844	97.2
198.12175	4.5
199.13412	1.5
201.11310	0.9
205.08797	0.6
207.10248	2.0
209.11845	13.0
210.12125	0.7
211.13379	2.7
213.11340	0.4
215.12968	0.4
221.11520	0.4
223.09827	3.5
223.13338	0.8
225.11310	3.7
227.12831	2.2
235.08253	1.5
241.10825	3.5
243.02928	0.5
253.09251	5.0
263.20203	0.4
265.14310	0.3
265.18286	0.5
273.18454	0.5
285.04160	0.4
287.16464	1.1
289.18024	2.9
291.19711	3.0
297.11917	0.4
305.17627	1.5
307.19101	1.7
309.20685	4.3
310.21143	0.6
314.04233	0.5
323.18787	0.4
433.20813	0.4
459.18649	1.6
471.49033	0.4
477.19687	2.5
515.24579	0.4
541.26837	0.6
577.37402	0.4
649.90192	0.4
671.33044	1.0
709.41455	0.5
751.39368	1.8
769.40497	100.0
770.40814	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	769.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
60.98973	0.3
60.99309	15.2
61.98833	26.5
69.60495	0.7
69.60916	0.4
71.01405	0.6
77.63697	0.1
78.91917	0.2
78.95919	0.3
79.95746	0.4
80.96529	1.0
85.02955	0.2
87.61386	0.1
88.98817	100.0
89.99158	1.0
94.98115	0.2
96.96022	0.6
99.92572	0.1
101.02457	0.3
109.02960	0.2
111.00867	0.2
116.92870	0.8
125.02463	0.5
137.02420	0.2
149.80499	0.1
165.05637	0.1
168.00658	0.2
169.01401	0.4
195.06598	0.2
205.14838	0.1
207.10216	0.2
209.11835	0.3
225.00699	0.3
237.43533	0.1
259.83133	0.1
287.57452	0.1
317.21536	0.1
397.89764	0.1
517.31531	0.3
540.08221	0.1
655.89801	0.1
679.37286	1.1
680.37238	0.3
740.59216	0.1
751.28772	0.3
769.32281	1.2
769.55084	0.1
770.31982	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03457	4.8
58.00600	1.2
59.01081	1.1
59.01378	17.6
61.98829	6.4
67.01891	1.6
68.99819	9.4
69.03474	6.0
70.56062	1.5
70.56462	1.4
71.01385	29.1
71.05021	2.8
72.99309	6.3
73.02938	4.3
74.77374	0.6
75.00864	1.4
80.02712	1.4
81.03473	2.9
83.01389	5.3
83.05035	7.6
84.02161	1.3
85.02966	7.9
87.00891	6.1
88.78130	0.6
89.02457	7.8
89.28471	0.6
93.03475	1.2
94.98092	1.0
95.01393	3.2
95.05061	3.3
97.02957	14.8
97.06599	5.2
98.03756	0.7
99.00879	4.3
99.04546	1.0
101.02464	13.2
106.04242	1.3
107.05051	2.9
108.02229	1.0
109.02970	2.7
109.06603	6.4
110.03744	5.0
111.00903	3.9
111.04534	23.7
111.08183	4.8
113.02458	8.9
119.03509	2.5
119.04995	0.9
119.08648	1.2
121.02996	1.1
121.06652	1.2
122.03766	1.8
123.00882	0.7
123.04550	5.1
123.08163	4.2
125.02437	1.8
125.06084	2.5
125.09743	13.5
126.10031	0.7
127.11321	2.5
133.06625	1.1
135.08163	3.2
135.11868	0.7
136.05272	1.3
137.09738	5.6
139.11266	1.0
141.01955	1.0
141.09235	0.8
141.12878	1.2
142.02739	1.1
143.03526	1.5
145.05101	2.4
147.08208	0.9
149.09740	2.5
151.07680	0.9
151.11304	7.5
153.09230	5.8
153.12880	1.1
153.25456	0.6
161.04585	5.7
161.05936	0.8
161.09718	13.9
162.04793	0.7
163.07692	1.5
163.11304	7.3
165.09172	1.9
165.12856	12.9
166.13130	0.7
167.10733	2.0
169.12480	3.1
171.10281	100.0
172.10625	4.2
173.08194	0.9
175.11198	0.7
177.09229	8.8
177.12817	0.8
178.09596	0.8
179.05637	2.2
179.10780	22.3
179.14345	1.1
180.11148	1.1
181.08740	1.0
181.12352	4.9
183.13905	35.7
184.14290	2.3
185.11850	7.4
187.07742	1.1
187.09769	2.8
189.12918	0.9
191.10757	1.0
191.14403	1.1
193.12341	1.6
193.16026	0.7
195.10327	3.9
195.13905	1.7
197.11842	14.1
198.12215	1.3
199.09770	3.2
199.13382	1.2
201.11322	3.3
205.08691	32.5
206.09068	2.1
207.10255	10.5
208.10564	1.6
209.11842	14.5
211.13397	5.3
213.11324	11.7
214.11621	1.1
215.12944	1.1
217.15944	0.7
221.11809	0.9
223.09758	88.3
223.13336	2.3
224.10149	5.8
225.11290	11.8
226.11824	0.8
226.15027	0.8
227.12881	9.1
235.08211	11.8
235.13361	1.0
236.08554	0.9
237.14972	1.9
241.10750	8.2
242.11124	1.1
243.12360	2.0
245.19011	1.5
247.20627	5.9
249.14951	2.0
253.09271	29.0
254.09637	1.8
263.20203	1.5
273.18539	2.2
279.12381	1.2
287.16547	7.7
289.18051	3.9
291.19635	52.6
292.19931	6.1
293.21210	1.0
297.13184	0.9
299.15161	0.8
305.14264	1.2
305.17551	11.0
306.17969	0.9
307.19171	3.8
309.20706	93.1
310.21082	8.1
333.20599	1.1
405.17371	1.0
407.19366	4.4
419.19156	0.9
441.17538	4.9
445.20303	1.1
449.20731	1.1
453.30008	1.9
459.18713	17.1
460.19135	2.2
461.20044	2.0
463.22104	3.1
471.31192	1.8
477.19855	2.1
514.89178	0.7
515.30487	1.9
527.28754	0.8
533.30548	1.0
545.29578	3.6
653.31726	1.4
697.38739	0.9
699.40295	1.2
707.37164	0.7
711.35687	0.8
725.38000	3.1
726.38470	0.9
733.38062	2.5
734.39014	1.0
751.39404	27.0
752.39984	7.6
769.40363	57.1
770.40680	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	769.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54498	0.1
59.01373	0.3
60.97514	0.1
60.99308	14.6
61.98832	21.8
67.09980	0.1
71.01397	0.3
79.95747	0.3
80.96538	0.5
85.02977	0.1
87.00861	0.1
88.98815	100.0
89.99136	1.0
96.96024	0.8
99.47791	0.1
101.02458	0.1
109.02950	0.1
116.92863	0.1
125.02444	0.2
137.22459	0.1
150.03305	0.1
151.04021	0.1
161.32033	0.1
164.98553	0.1
165.01978	0.1
169.01410	0.3
173.76839	0.1
175.34390	0.1
195.06589	0.1
202.25902	0.1
209.11737	0.2
225.00693	0.1
254.89111	0.1
271.82782	0.1
472.66110	0.1
517.31195	0.2
524.03546	0.1
679.37408	0.8
680.37146	0.2
707.22003	0.1
751.29022	0.1
769.29034	0.6
770.30792	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83777	0.3
56.59460	0.3
56.63958	0.3
57.03460	0.4
58.97583	0.3
59.01373	1.2
61.29801	0.3
61.98832	21.4
63.96243	1.5
69.03464	0.8
71.01384	7.3
72.99326	0.3
73.02950	1.9
76.98737	0.3
78.95910	1.0
78.98594	6.1
79.95266	0.6
79.95742	12.4
80.96524	70.4
81.03443	0.9
83.01415	0.4
83.05008	0.5
85.02962	2.8
87.00887	2.5
88.98823	0.6
89.02478	0.4
90.75070	0.3
94.98098	16.9
96.96017	1.3
97.02975	2.0
98.19839	0.7
99.00907	0.5
101.02457	3.3
106.98097	3.3
113.02464	0.6
116.92857	0.4
120.39206	0.3
122.04523	0.4
122.97599	3.4
123.00930	0.4
125.02464	4.1
127.04026	0.9
134.97606	5.5
136.99162	1.5
146.69232	0.3
148.99165	6.5
152.98654	6.3
163.11205	0.3
164.98656	12.7
165.99019	0.5
167.00137	0.7
169.01347	0.4
171.97705	0.4
179.00250	0.6
206.99649	2.8
209.11838	4.6
210.12184	1.0
214.55313	0.3
225.00746	27.5
226.01064	0.9
227.12901	0.6
283.05063	0.8
509.16919	2.7
510.17139	0.5
541.19806	2.1
542.19055	0.4
677.35956	0.4
707.23853	0.6
769.33527	100.0
770.33820	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1809
Annotation	isorhamnetin 3-O-(3",6"-O-di-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
58.24904	0.2
59.01385	1.7
61.98833	100.0
62.98536	0.6
63.02403	0.3
63.99251	0.6
65.00329	0.4
65.18623	0.2
66.82989	0.2
71.01393	1.5
71.75829	0.3
72.74895	0.2
72.99329	0.3
73.02970	0.5
78.91871	0.2
78.95916	0.8
79.95763	0.6
80.96524	1.9
83.01399	2.0
83.05069	0.2
85.02957	0.6
87.00896	0.3
88.98850	0.7
89.02460	0.3
92.60511	0.2
93.03475	0.5
94.98102	0.5
96.96020	3.8
96.96991	0.8
99.00880	0.2
101.02480	0.7
107.01401	1.3
108.02214	0.4
109.02974	0.3
109.06629	0.2
111.00902	0.2
113.02506	0.5
116.92867	1.1
117.03476	8.6
118.03824	0.3
119.03557	0.2
119.05040	4.4
121.02974	0.6
122.03690	0.2
123.04596	0.2
124.01635	0.3
125.02441	0.8
131.03497	0.2
133.03072	0.2
135.00864	0.2
135.04614	0.3
135.08186	0.2
136.01715	0.2
145.02980	29.4
146.03308	1.2
147.04654	0.2
148.01701	0.3
149.02429	0.2
149.99564	0.3
150.03235	0.3
151.00388	3.0
157.37828	0.2
158.03773	0.2
159.04552	0.5
161.09831	0.4
163.00404	0.4
163.04027	5.1
164.01196	0.6
165.05679	0.2
169.01529	0.9
169.02736	0.2
171.10236	0.6
175.04120	0.2
177.01901	0.2
179.03728	0.2
187.03984	1.3
187.11447	0.3
189.09337	0.2
195.06726	0.3
199.04037	0.7
201.11259	0.3
205.05157	0.3
209.11882	2.2
210.12172	0.3
211.13472	0.9
215.03410	0.3
216.04324	0.3
217.05066	0.5
225.00711	0.5
225.11316	0.4
226.02768	0.4
227.03603	1.0
227.07243	0.2
227.12909	0.5
228.04277	0.2
229.05029	0.8
242.02185	1.6
243.02998	3.8
244.03621	0.7
253.09250	0.3
254.02228	0.4
255.02971	5.0
256.03375	0.4
257.04492	0.2
259.06104	0.3
270.01709	0.8
270.63403	0.2
271.02463	8.9
272.03131	1.3
283.02527	0.5
284.03326	0.4
285.04028	2.1
286.04398	0.4
287.05713	0.7
287.22287	0.8
289.07263	0.9
299.01999	4.3
299.05228	0.2
300.02753	18.3
301.03098	1.3
307.08307	1.0
311.22238	0.8
313.03577	1.4
314.04297	3.0
315.05099	42.0
316.05453	3.1
341.14352	0.3
355.04642	0.3
357.13477	2.1
397.13538	0.3
411.16541	0.2
415.14508	0.3
453.11880	11.5
454.12256	1.2
575.34351	0.2
605.12799	1.9
606.13336	0.3
623.14178	2.4
624.14722	0.6
632.74200	0.2
637.42780	0.3
751.31598	0.3
769.17853	3.7
769.32666	2.6
770.18347	0.9
770.31396	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	768.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98533	0.2
67.12215	0.1
80.96506	0.1
98.19855	0.1
117.65250	0.1
125.00877	0.1
184.02782	0.1
207.95506	0.1
209.11865	0.2
210.12332	0.1
239.48592	0.1
244.24257	0.1
260.38177	0.1
264.48984	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.3
60.99323	0.3
61.98834	100.0
62.98547	0.4
63.02406	0.7
63.96231	0.4
63.99261	0.7
65.00340	0.7
71.01392	4.1
71.73965	0.6
72.99305	0.4
73.02953	0.9
78.91881	0.7
78.95935	1.0
78.98598	1.0
79.95751	3.0
80.96525	13.1
81.03466	0.6
83.01397	4.4
85.02975	1.1
87.00902	1.1
88.98831	1.7
89.02466	0.6
93.03453	0.9
94.98106	4.8
95.01373	0.4
96.96026	3.9
96.97009	0.7
97.03004	0.8
101.02451	1.2
106.98111	0.8
107.01382	3.0
108.02193	1.0
113.02473	1.0
116.92876	2.6
117.03486	14.6
117.92876	0.8
118.03870	0.4
118.92710	0.5
119.05045	9.1
121.02990	1.1
122.03728	1.0
123.00897	0.6
123.04538	0.5
124.01689	0.4
125.02458	1.8
131.05057	0.4
134.97604	1.3
135.04514	0.4
136.01645	0.7
136.99113	0.4
137.02452	0.4
143.05139	0.5
145.02979	61.6
146.03296	3.2
146.98714	0.3
148.01689	0.6
148.99179	1.7
149.99625	0.5
151.00403	6.3
151.04060	0.6
152.00986	0.3
152.98637	1.1
153.01895	0.3
156.05664	0.4
159.04494	1.2
160.01688	1.0
161.06052	0.8
163.00438	0.9
163.04028	10.2
164.01167	1.1
164.04399	0.5
164.98628	2.9
169.01503	2.0
170.63557	0.3
175.04018	1.4
175.21790	0.3
183.04547	0.3
183.13921	1.1
185.06110	0.4
187.04031	2.2
191.03455	0.4
195.06584	0.5
199.03983	1.3
200.04678	0.4
201.05620	0.6
202.02783	0.4
205.05151	0.4
206.99748	0.8
207.10329	0.8
209.11844	4.1
210.12244	0.7
211.13368	1.2
212.13795	0.3
213.14983	2.9
213.94478	0.4
214.02602	0.4
214.15277	0.7
215.03441	0.9
217.05022	0.5
225.00777	4.1
225.11270	0.4
227.03519	2.1
227.06999	0.6
227.12943	0.8
229.05113	1.6
241.00986	0.4
242.02272	2.0
243.02943	7.8
244.03711	1.6
251.50931	0.4
253.09190	0.4
254.02269	0.9
255.02959	9.8
256.03513	1.2
257.04465	0.9
258.21207	0.4
270.01736	1.6
271.02475	18.4
272.03107	3.9
283.02429	0.9
284.03217	1.3
285.04047	5.9
286.04288	0.5
287.05695	1.3
289.07196	2.2
299.02002	6.3
300.02753	39.0
301.03122	3.6
305.17584	0.8
307.08206	2.7
313.03604	2.0
314.04330	4.0
315.05099	85.2
316.05438	8.0
330.28909	0.4
357.13437	6.6
357.17740	0.4
390.79776	0.4
453.11893	25.8
454.12173	3.2
483.12921	0.5
507.63541	0.3
509.17178	0.5
605.13135	4.0
606.12927	0.8
623.14203	4.6
624.14142	0.8
706.69849	0.4
768.43109	0.5
769.17926	9.7
769.33502	17.2
770.18207	2.5
770.33917	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	768.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92195	0.2
57.03430	0.2
59.01375	1.9
60.99313	0.3
61.98832	100.0
70.31852	0.5
70.32252	0.3
71.01390	1.9
72.99300	0.2
73.02981	0.4
75.00893	0.5
78.91916	0.2
78.95932	0.2
79.95755	0.7
80.96536	1.2
81.03446	0.3
83.01406	0.5
83.05041	0.9
85.02963	0.6
87.00922	0.3
88.98817	2.1
89.02467	0.9
94.98103	0.3
96.96008	1.1
97.06622	0.2
100.34278	0.2
101.02464	1.4
109.06599	0.2
113.02471	0.6
116.92893	0.8
121.02994	0.3
121.45759	0.2
125.02489	0.6
125.09796	0.3
145.02954	0.2
145.22702	0.2
155.44891	0.2
161.04634	0.4
163.11304	0.9
165.12857	2.0
169.01442	0.2
171.10338	0.6
171.36159	0.2
183.13914	11.3
184.07332	0.2
184.14328	0.4
197.11827	1.6
198.12212	0.6
207.10287	0.5
209.11839	17.9
210.12198	1.4
211.13364	0.5
225.00778	0.3
225.11320	0.6
227.03590	0.3
227.12875	2.1
235.08218	0.5
253.06990	0.3
253.09201	1.2
255.03011	0.5
271.02457	0.4
284.03378	0.5
285.04044	1.4
287.16541	0.8
301.03729	0.2
305.17584	0.5
315.04703	0.2
357.13416	0.3
462.75122	0.2
463.21902	0.3
515.30835	0.3
627.58124	0.2
673.34564	23.0
674.35034	4.1
678.16095	0.4
705.37238	3.8
705.48267	0.3
706.37854	0.8
751.33014	0.3
768.38940	0.4
769.34363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	0.1
57.54186	0.1
59.01378	0.3
60.99307	0.2
61.98830	100.0
62.98529	0.2
63.99257	0.2
71.01384	0.6
72.99317	0.1
78.95919	0.7
79.95723	0.4
80.96516	0.5
83.01405	0.2
87.00929	0.1
88.98811	0.5
89.02464	0.1
94.98104	0.4
96.96021	8.4
96.96936	0.9
97.03004	0.1
101.02454	0.1
105.01965	0.2
105.92448	0.1
106.67769	0.1
109.06613	0.1
111.94642	0.1
113.02474	0.1
116.92884	0.3
117.03493	0.1
118.38949	0.1
125.02493	0.2
125.09709	0.1
145.03011	0.3
151.00352	0.1
163.11345	0.1
169.01421	0.1
171.10258	0.2
181.12395	0.1
197.11819	0.1
207.10208	0.4
209.07542	0.1
209.11836	0.8
210.12123	0.1
211.13463	0.2
225.00722	0.1
225.11359	0.2
253.09407	0.1
255.03200	0.1
271.02557	0.1
285.04135	0.3
287.16559	0.1
299.02209	0.1
300.02939	0.2
301.03326	0.1
305.17691	0.1
315.05222	0.3
357.09106	0.1
357.13513	0.2
383.83331	0.1
492.22525	0.1
744.37396	0.1
768.39685	0.1
769.32758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.5861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90725	0.2
59.01378	0.5
61.98829	2.5
69.59410	1.7
78.02588	0.2
88.57370	0.2
98.89647	0.2
116.92884	0.2
125.09796	0.2
129.75017	0.2
171.10286	8.0
172.10602	0.2
275.20142	0.2
277.21719	10.4
278.22104	0.9
282.25760	0.2
295.22781	47.5
296.23154	4.1
297.94370	0.2
310.02209	0.2
320.77206	0.2
339.49332	0.2
393.31995	0.4
423.32751	0.6
446.66470	0.2
471.34781	100.0
472.35095	15.6
767.41632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38213	0.4
59.01368	1.7
61.21764	0.4
61.98806	0.5
63.02405	2.3
65.00327	3.5
66.65585	0.4
69.72270	2.9
71.01389	3.6
71.29247	0.4
75.00852	0.4
79.95709	0.4
83.01424	2.2
85.02943	1.8
93.03465	1.6
95.01383	0.6
96.96025	9.0
98.20537	0.8
103.00380	0.5
104.69484	0.5
107.01398	7.2
109.02972	3.8
113.02441	1.3
114.76852	0.4
119.01425	0.6
121.02975	7.1
125.02468	1.0
126.74342	0.4
135.00836	0.7
137.02429	0.6
139.03998	0.5
149.02448	1.2
150.03217	0.8
151.00389	29.0
152.00748	1.0
157.06644	0.4
159.04520	1.0
161.02429	0.8
163.00392	3.9
163.03992	0.7
164.01085	0.8
165.05432	0.5
169.01411	2.0
175.02524	0.9
175.04034	0.4
178.99870	15.3
183.04478	0.5
183.06648	0.7
185.02419	0.4
187.04004	1.2
193.01410	1.0
201.05528	1.0
211.03979	1.9
217.04782	0.4
227.03479	1.9
229.05013	1.5
243.02635	0.6
245.04504	3.5
255.02988	3.8
256.03561	1.1
257.04590	0.7
266.02414	0.6
271.02493	0.6
272.25955	0.5
273.04092	2.6
283.02414	2.5
284.02994	0.5
289.03882	5.9
300.02896	0.8
301.03531	100.0
302.00439	0.7
302.03873	8.5
307.08307	0.6
377.21738	0.4
403.49411	0.5
421.15314	0.5
468.52411	0.4
477.06741	69.2
478.07144	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	767.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48924	2.3
61.98830	3.4
63.69286	2.3
70.69189	2.6
71.01383	6.8
73.02973	2.7
78.20921	2.2
78.95912	4.8
78.98595	5.1
79.95738	14.4
80.96056	4.9
80.96524	83.1
85.02915	4.5
87.00872	3.4
94.98082	17.7
97.58838	2.5
98.20625	7.0
101.02480	2.8
106.98042	2.7
122.97601	5.6
125.02383	2.1
134.97568	3.8
148.99120	8.8
152.77335	2.5
152.98616	7.2
164.98643	13.2
168.37558	2.4
206.99615	3.0
225.00795	22.2
255.23311	5.5
277.21671	2.6
283.67371	2.7
340.32416	3.1
504.20322	2.7
603.46399	2.6
767.42676	100.0
768.43140	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	765.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.3
59.01373	2.3
60.99324	0.5
61.98832	8.5
62.44700	0.2
65.77998	0.2
69.50142	0.7
69.50558	1.4
71.01391	1.8
72.99300	0.9
73.02921	0.3
80.02690	0.7
81.03462	0.9
83.05031	4.1
84.02179	0.5
85.02950	0.6
87.00861	0.3
88.98814	3.0
89.02452	0.9
95.04997	0.6
96.96014	0.5
101.02448	1.4
113.02459	0.6
116.92834	0.5
119.03527	0.5
125.02500	0.5
125.06044	0.3
135.08153	0.6
143.03445	0.2
145.05087	0.3
147.11739	0.4
160.09964	0.2
160.40022	0.2
161.04564	0.6
163.11320	2.9
165.05603	0.3
165.12805	1.9
171.10291	1.0
181.12431	0.3
191.10802	0.8
199.13322	0.3
209.11832	100.0
210.12167	6.9
227.12878	14.4
228.13231	1.3
235.08173	1.8
236.57077	0.2
247.13396	0.4
253.09288	4.8
254.09622	0.3
297.24561	0.2
445.20831	3.9
446.21146	0.5
463.21780	0.7
621.28235	0.3
637.32458	0.9
641.17981	0.3
655.32208	0.3
765.32886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46967	0.3
57.03452	0.3
59.01375	0.8
60.36925	0.3
61.98831	0.7
63.96232	1.5
69.03452	0.7
71.01383	7.7
72.99287	0.4
73.02966	1.9
78.98600	6.4
79.95739	12.6
80.96523	71.6
81.03463	0.9
87.00886	2.8
93.97318	0.4
94.98096	16.8
96.96013	1.1
97.02962	1.5
99.00913	0.4
99.04521	0.7
101.02451	3.0
106.98103	3.0
113.02473	0.3
122.97603	2.6
125.02479	3.7
127.04018	0.8
134.97588	5.4
136.99135	1.8
142.18468	0.3
147.54852	0.3
148.99162	6.4
150.97147	0.3
152.98647	5.4
164.98647	12.5
167.00198	0.6
179.00308	0.4
188.98669	0.3
206.99695	3.0
209.11864	1.7
225.00735	22.1
226.01045	1.0
255.23398	1.4
283.04913	0.5
475.17609	0.4
509.16962	3.5
510.17386	0.8
537.27319	1.3
755.55389	0.4
765.41260	100.0
766.41547	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	766.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
60.99300	0.1
61.98827	100.0
62.98529	0.2
62.99248	0.1
65.55190	0.1
71.01382	0.2
71.15487	0.2
72.99332	0.1
75.00875	0.1
76.63052	0.1
80.96503	0.1
88.98816	0.8
89.02439	0.1
96.96072	0.1
97.02958	0.1
116.92865	0.3
174.86322	0.1
197.11876	0.2
209.11842	0.5
210.12228	0.1
211.13475	0.1
227.12898	0.1
369.54044	0.1
454.47940	0.1
523.00403	0.1
572.97778	0.1
625.14563	0.1
766.32520	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	765.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
60.99307	16.7
61.98828	1.1
67.63438	0.1
71.01386	0.2
71.31937	0.2
71.32304	0.2
72.99340	0.2
87.00886	1.2
88.00413	2.1
88.01203	0.1
88.75330	0.1
88.98814	100.0
89.02450	13.5
89.99142	1.0
90.02760	0.2
215.15579	0.1
218.67784	0.1
219.80211	0.1
249.64528	0.1
277.21613	0.3
397.13440	0.8
415.14456	0.3
652.97791	0.1
654.03979	0.1
688.85974	0.1
748.24530	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	765.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86139	0.1
59.01386	0.5
59.42546	0.1
60.99306	17.4
61.98828	1.9
63.84359	0.1
67.15067	0.1
69.03465	0.1
71.01377	0.4
79.95721	0.1
80.96531	0.2
85.02960	0.2
85.35451	0.1
87.00889	0.6
88.00414	2.3
88.98813	100.0
89.02448	10.6
89.99140	1.2
90.02837	0.1
95.01412	0.2
98.20679	0.4
101.02470	0.2
102.28185	0.1
107.43940	0.2
108.25284	0.1
119.03452	0.1
125.02436	0.2
171.10278	0.3
173.04465	0.1
179.05692	0.2
207.10216	0.1
209.11752	0.2
211.13417	0.2
223.13345	0.4
225.11227	0.3
253.09097	0.2
277.21600	0.5
397.13474	0.8
415.14417	0.2
456.32584	0.1
517.82117	0.1
562.23718	0.2
586.02954	0.1
734.95398	0.1
747.37115	0.1
749.17865	0.1
765.38800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.8
59.01383	9.6
61.98833	3.2
71.01379	3.1
72.99312	0.8
73.02948	1.3
75.00876	0.4
87.00897	2.1
88.98835	0.9
89.02448	2.4
93.03450	0.5
94.36916	0.3
98.26605	0.3
99.04504	0.3
101.02461	2.4
103.04050	0.5
105.32646	0.3
107.05058	0.5
109.02969	0.6
113.02441	0.6
116.92861	0.4
117.03487	0.4
119.03532	1.1
119.05053	0.7
121.02949	0.8
122.03783	1.3
123.04549	0.4
124.01676	0.4
125.02476	1.7
135.04547	0.7
137.02451	6.8
138.03247	7.0
139.04077	0.3
145.02948	0.5
147.04543	1.5
148.78996	0.4
149.02473	2.9
150.03249	9.6
151.00424	0.4
151.04033	16.4
152.04449	0.6
153.05574	0.4
161.02480	1.6
162.03246	0.7
163.04056	1.3
163.06155	0.5
164.04805	6.9
165.01942	2.0
165.05574	11.7
166.05855	0.5
168.04298	1.3
169.01416	1.3
170.02185	0.8
176.01152	0.3
176.04778	1.4
177.01920	0.6
177.05586	0.9
179.03543	2.2
179.05681	0.5
179.07182	1.4
180.04292	3.8
181.05092	1.2
182.05852	17.8
183.06638	10.7
184.06966	0.4
191.07146	0.6
192.04248	0.8
193.05081	0.4
194.05849	2.5
195.03017	0.7
195.06638	6.6
195.08289	0.6
197.08209	15.3
198.08507	0.6
205.04967	0.4
207.06618	1.0
208.06825	0.4
209.08208	5.3
210.05327	1.8
210.08528	0.4
211.06123	10.4
224.06902	0.6
225.07675	8.4
243.12369	0.7
328.11646	30.0
329.11926	2.8
342.13364	3.0
343.13980	100.0
344.14392	8.3
359.13501	5.6
360.13882	0.8
373.12924	0.9
397.15045	0.7
421.15005	0.4
504.72382	0.3
522.96002	0.4
557.32782	0.4
569.22473	1.0
675.22803	0.6
675.35651	0.4
717.27344	0.7
765.30017	21.2
766.30505	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.8
59.01380	10.5
59.01661	0.6
60.99313	0.5
61.98831	5.1
69.42913	0.6
69.43324	3.3
71.01379	4.9
72.99329	1.0
73.02977	1.7
75.00919	0.4
87.00872	2.6
88.98838	0.9
89.02467	2.7
93.03460	0.6
95.01417	0.5
96.96066	0.6
99.00912	0.4
99.04575	0.4
101.02459	2.9
103.04033	0.9
107.05036	0.5
109.02991	1.0
113.02512	0.8
116.92888	2.0
119.03509	1.0
119.05077	0.9
121.02971	0.8
121.55673	0.4
122.03760	1.7
125.02483	2.5
125.03290	0.4
133.02983	0.4
135.04567	1.2
137.02448	5.7
138.03255	6.5
139.04063	0.5
140.01239	0.6
140.93019	0.3
146.03667	0.4
147.04573	1.3
149.02438	2.9
149.06227	0.4
150.03242	10.7
151.00439	0.7
151.04030	16.3
152.04599	0.4
153.01910	0.5
153.05592	1.0
161.02502	1.6
162.03287	0.6
163.04010	1.4
163.06078	0.7
164.04808	7.3
165.01939	2.7
165.05576	11.8
166.02663	0.5
168.04343	1.2
169.01440	3.0
170.02254	0.6
176.04800	1.2
177.01950	1.0
177.05627	1.2
179.03540	2.7
179.05684	0.7
179.07201	1.1
180.04288	3.6
181.05093	1.1
182.05847	17.9
183.06633	9.7
184.07092	0.4
191.05473	0.4
191.07158	0.6
192.04272	0.8
193.05052	0.5
194.05853	2.6
195.06648	7.3
195.10254	0.8
195.76428	0.4
197.08197	15.0
198.08635	0.8
207.06644	1.6
209.08191	5.9
210.05356	1.5
211.06117	10.0
212.06404	0.8
223.06113	0.4
224.06898	0.4
225.07681	7.7
226.08185	0.5
243.12341	0.4
300.99896	0.7
328.11655	29.5
329.12012	2.6
342.13248	3.3
343.13989	100.0
344.14401	10.4
355.58505	0.4
359.13455	5.8
373.13019	1.0
397.14972	0.9
421.15454	0.5
569.21826	1.1
675.22986	1.5
675.34705	0.5
717.27057	1.1
765.29913	23.7
766.30475	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	764.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
60.99314	1.1
61.98832	100.0
62.98530	0.3
69.03467	0.2
69.62720	0.7
69.63126	0.2
71.01395	0.4
72.99319	0.6
75.00891	0.4
78.95940	0.2
85.02972	0.2
87.00920	0.2
88.98816	5.8
89.02468	0.2
89.99167	0.3
101.02454	0.2
116.92875	0.1
117.07173	0.1
118.48351	0.1
125.09741	0.2
171.10274	0.2
197.11873	0.2
207.10303	0.2
209.11813	0.8
210.12222	0.3
211.13492	0.7
223.13448	0.2
225.11497	0.2
225.13942	0.1
227.12946	0.2
253.12242	0.1
444.45087	0.1
498.59616	0.1
727.68170	0.1
733.38916	0.2
765.41693	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.4
61.98832	55.4
62.98532	0.8
63.99258	3.7
71.01398	1.2
71.64040	0.8
71.64383	0.7
78.86524	0.5
78.95911	26.1
78.98588	0.8
79.95748	0.9
80.02693	1.8
80.96532	6.1
81.03453	2.6
83.01399	1.6
83.05028	8.5
84.02191	1.9
94.98136	1.2
95.05030	1.2
97.06553	0.5
97.95846	0.6
101.80550	0.5
102.76417	0.5
109.06590	0.6
122.98551	0.9
125.00117	1.0
125.06091	1.2
125.09744	1.5
134.98630	0.7
135.08186	0.6
148.99168	0.7
152.99615	3.0
161.78619	0.7
163.11293	6.3
164.98680	1.1
165.12846	4.1
168.04359	6.6
191.10812	2.9
191.41518	0.5
209.11841	94.1
210.12195	5.7
223.13338	2.3
224.06926	5.6
225.00696	0.9
226.11992	1.5
227.12871	12.0
232.78529	0.6
241.14476	14.9
242.14836	1.2
255.23288	78.4
256.23642	6.5
277.21753	0.6
419.25806	0.7
462.30023	0.9
480.31116	3.5
619.36407	2.0
645.37823	1.5
690.43719	100.0
691.44037	22.2
704.45319	8.0
705.44623	1.7
760.84412	0.6
764.39948	5.5
765.40485	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	763.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37833	0.3
56.61600	0.3
56.96754	0.3
61.98830	3.2
71.74352	0.6
71.74730	0.5
81.23190	0.4
95.17762	0.3
95.46779	0.3
110.79478	0.4
121.10246	0.8
124.58987	0.3
175.21143	0.3
185.11852	1.3
211.13470	0.4
227.61230	0.3
291.19659	15.9
292.19986	1.7
355.87936	0.4
471.34805	100.0
472.35159	17.5
474.75122	0.4
506.01730	0.4
778.16986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.8
59.47329	0.7
60.99292	0.9
61.98830	34.5
63.24027	0.5
67.01882	1.1
68.99810	0.7
69.03438	1.3
69.43466	4.5
69.43885	1.3
71.01383	6.1
72.99315	1.3
73.02941	1.3
79.01872	0.9
81.03463	1.2
83.01384	1.6
83.05030	0.9
85.02943	2.0
87.00883	1.1
88.98801	2.9
89.02457	1.5
95.01385	2.0
96.95998	2.0
97.02963	1.6
97.75337	0.6
99.00906	0.6
101.02448	3.3
107.01396	10.0
108.02264	0.6
109.02990	0.9
111.00872	2.5
113.02451	2.2
116.92878	1.4
117.97153	0.5
121.02999	1.4
123.00896	10.9
123.04531	1.6
124.01639	2.1
125.02464	47.1
126.02802	1.6
127.00373	1.5
134.03697	0.7
135.04506	0.8
136.01674	10.3
136.98837	1.4
137.02461	3.4
139.00383	4.5
139.04007	3.7
140.01201	3.8
141.01897	2.1
149.02493	0.9
150.03203	2.7
151.00378	7.4
151.04031	8.5
152.04367	0.6
153.01920	1.5
158.00589	0.6
159.04529	0.6
160.05327	1.6
161.02495	0.9
161.06035	1.1
163.04008	1.8
164.04742	2.5
165.01941	1.0
165.05537	2.1
168.00659	6.9
169.01451	58.2
170.01765	2.5
175.03889	0.6
175.07678	2.0
177.01813	0.7
177.05450	0.7
179.03549	0.7
179.07153	1.3
181.01443	0.7
181.05103	0.9
183.03004	17.3
183.10338	1.0
183.13911	3.1
184.03239	0.8
195.06696	1.8
197.04602	0.7
201.11369	2.6
207.06590	0.6
209.08261	0.6
209.11833	9.9
210.12154	3.9
211.02455	1.2
217.05122	0.7
219.06595	0.6
223.02399	0.8
225.11397	0.6
227.12856	1.4
228.13208	1.3
241.03522	1.0
243.12399	1.0
251.09077	0.7
253.09204	0.7
277.85852	0.6
297.06284	0.6
301.03375	0.6
312.04855	1.1
313.02161	0.9
313.05630	14.1
314.05978	0.8
327.07144	4.3
329.13943	2.6
341.10318	0.9
373.12891	1.2
405.17673	0.8
463.22037	3.6
531.11371	0.7
639.17041	0.9
669.18359	7.4
670.18646	1.4
674.35449	0.8
675.36353	4.6
701.21069	100.0
702.09155	1.2
702.21399	25.0
764.33356	0.7
765.36255	1.0
774.46344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
61.98819	1.1
63.96251	1.4
69.03458	0.8
69.55666	2.3
71.01384	8.4
72.99322	0.3
73.02952	1.6
78.98597	7.2
79.95741	11.8
80.96521	78.0
81.03451	0.6
81.96455	0.3
83.01389	0.4
85.02966	3.4
87.00878	2.9
94.87024	0.2
94.98097	19.2
96.96015	1.1
97.02966	1.8
98.19879	0.4
99.00895	0.7
99.04548	0.3
101.02455	2.7
106.98100	3.5
109.06599	0.6
112.69167	0.3
113.02472	0.5
116.92886	0.3
122.97592	3.9
125.02473	3.4
127.04018	0.8
134.97620	5.7
136.99173	1.2
143.03532	0.3
146.97583	0.5
148.99156	7.0
152.98659	6.8
164.98659	13.0
165.99005	0.4
167.00185	0.6
188.98648	0.3
206.99736	3.3
207.10297	1.2
225.00745	23.6
225.11299	0.5
226.01097	0.7
231.07536	0.3
255.23239	1.9
283.04776	0.4
380.07352	0.3
388.24448	0.3
473.76929	0.3
507.15482	3.3
537.27277	1.6
538.26953	0.4
763.39685	100.0
764.40063	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44191	0.3
59.01368	1.1
61.75921	0.3
61.98834	1.1
63.31491	0.3
63.96240	1.9
67.44141	0.3
69.03449	0.3
70.29008	1.4
71.01388	9.1
72.99340	0.4
73.02942	1.9
78.98133	0.3
78.98210	0.2
78.98596	6.8
79.95742	14.3
80.24940	0.3
80.96525	84.3
81.03474	1.3
83.01392	0.5
85.02957	3.5
87.00902	3.1
94.98100	20.2
95.01408	0.7
96.96008	1.8
97.02961	2.6
99.00896	0.7
99.04552	0.4
101.02454	3.3
106.98100	3.5
109.06615	1.0
113.02470	0.4
120.45248	0.3
122.97591	4.1
125.02473	3.8
127.04028	1.2
134.97601	6.1
136.99156	1.9
148.99167	7.9
152.98654	7.6
163.11284	0.4
164.98643	16.5
167.00200	0.7
188.98653	0.7
206.99689	3.8
207.10297	1.1
211.34578	0.3
215.08292	0.3
225.00748	27.0
225.11420	0.4
226.01091	0.5
255.23325	1.9
283.04984	0.4
507.15350	3.9
508.15723	0.6
537.27301	1.6
763.39746	100.0
764.40088	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	763.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
60.99307	16.7
61.98830	0.8
70.62501	0.4
70.74496	0.1
71.01394	0.3
87.00873	0.4
88.00415	0.7
88.98815	100.0
89.02449	2.7
89.99149	0.9
98.19926	0.1
101.02466	0.2
113.02480	0.1
150.03249	0.1
165.12877	0.1
171.10226	0.3
207.10251	0.1
209.11861	2.5
210.12157	0.3
211.13438	0.2
227.12967	0.5
343.11716	0.1
359.14828	0.1
385.40598	0.1
504.33508	0.1
601.35266	0.2
763.44116	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	763.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17311	0.8
59.01384	13.2
59.55515	0.7
60.99307	6.1
61.98834	37.1
71.01392	8.4
72.99297	2.9
73.02956	1.8
75.00852	1.2
80.02669	1.7
81.03487	1.8
81.77831	0.8
83.01404	1.7
83.05027	7.6
85.02943	4.0
87.00876	2.3
88.98815	37.6
89.02459	4.9
89.99133	1.0
95.01391	0.8
95.05033	1.2
96.96007	1.1
97.02975	4.8
99.00893	2.0
101.02459	6.4
106.26321	0.8
107.84373	0.8
109.03017	0.9
109.06609	20.3
110.06948	1.2
111.00903	1.0
113.02447	3.9
116.92879	5.0
121.06580	2.2
125.02428	2.4
125.09721	2.4
131.03598	1.3
135.04572	1.0
135.08145	3.2
136.05258	1.2
143.03487	1.0
161.04546	2.3
161.09711	2.0
163.11311	14.3
164.11688	1.6
165.12878	3.9
171.10292	7.9
174.01752	1.2
179.05571	1.0
181.12323	3.6
183.13861	2.0
185.11838	2.3
189.09193	1.3
201.11540	1.1
207.10274	50.5
208.10583	3.4
209.11838	100.0
210.12155	6.5
211.13397	7.5
221.11855	0.9
225.11334	25.7
227.12885	14.3
235.08165	3.5
249.13658	0.8
253.09253	8.9
299.14963	1.5
392.03336	0.9
397.13400	3.2
399.21683	6.3
417.22824	3.5
443.19037	2.2
445.20767	1.7
461.20129	7.1
466.39740	1.0
635.30804	20.4
636.31219	3.0
653.31781	17.9
654.32019	3.4
662.36450	1.3
671.32898	27.6
672.33417	4.3
763.28949	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	762.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15243	0.1
61.98830	100.0
62.98537	0.2
71.01376	0.1
71.59488	0.1
79.95734	0.1
80.96519	0.7
83.29852	0.1
94.98109	0.1
148.99199	0.1
151.96159	0.1
164.98705	0.1
178.85165	0.0
209.11916	0.2
210.12192	0.1
225.00732	0.2
253.21848	0.1
254.21997	0.1
305.82141	0.1
763.39575	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	763.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82147	0.1
58.00538	0.4
59.01319	5.8
59.01646	0.5
59.44736	0.1
60.99260	0.3
61.98766	2.9
68.72984	0.1
69.03420	0.2
71.01388	2.0
71.74554	0.2
72.99265	0.4
73.02885	0.8
75.00838	0.2
79.53861	0.2
83.04990	0.4
85.02962	1.3
87.00877	1.8
88.98814	0.8
89.02457	1.2
93.03419	0.2
101.02454	1.1
103.03971	0.3
107.04977	0.4
109.02885	0.5
113.02425	0.2
116.92808	0.4
119.03438	0.5
119.04959	0.6
121.06589	0.2
123.00819	0.2
123.04448	0.2
124.01638	0.2
125.02447	0.8
127.03965	0.3
135.04466	0.4
137.01566	0.2
137.02440	1.8
138.03253	5.8
139.11218	0.6
140.01158	0.3
147.04536	1.0
149.02466	0.2
149.06020	0.2
150.03172	0.3
151.04028	12.5
152.04301	0.4
161.02380	0.2
161.09743	0.2
163.04013	0.2
164.04819	4.6
165.04344	0.2
165.05580	3.1
167.03470	0.3
168.16536	0.2
169.01302	0.2
170.02185	0.8
175.04002	0.2
179.03535	0.4
179.07091	0.4
180.04204	0.6
181.04968	0.3
181.12331	0.2
182.04292	0.2
182.05864	4.6
183.06636	8.5
183.10139	0.5
183.13882	0.2
184.06929	0.3
194.05801	0.2
195.06458	0.1
197.08209	3.3
209.08089	0.3
209.11725	0.6
211.06131	8.9
212.06427	0.7
224.06795	0.3
225.07683	1.8
225.11200	0.3
227.12857	0.3
229.16777	0.1
240.04132	0.4
260.61966	0.2
267.06439	0.3
283.06091	0.2
295.06052	0.6
298.08429	0.5
299.09116	0.2
311.11566	0.2
313.10797	0.8
325.10883	0.3
328.11636	24.3
329.11993	2.1
335.49194	0.2
341.10144	0.2
343.13992	100.0
344.14355	10.5
359.14920	0.4
371.15079	0.3
373.12991	0.4
533.39465	0.2
763.34088	1.1
763.45288	1.5
764.33380	0.3
764.45624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	83.8
71.01404	5.1
71.73930	4.1
71.74335	5.1
80.96531	15.2
100.76578	3.9
115.91006	3.5
155.25922	4.3
183.13968	5.8
209.11821	59.6
211.13466	6.4
225.00728	5.0
227.12965	21.9
235.08340	10.6
253.09215	7.2
253.21780	7.9
255.23311	6.1
277.21701	15.1
279.23303	100.0
280.23596	9.2
411.05267	5.2
516.32269	6.0
723.43115	12.1
725.42969	4.9
761.42841	35.0
762.41919	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	761.472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.2
56.69535	0.2
59.01375	2.2
61.98829	1.1
69.03454	0.3
70.30463	1.3
71.01381	2.4
73.02963	0.7
78.95914	0.3
80.02682	0.5
80.96542	0.5
81.03452	0.6
83.01400	0.5
83.05051	1.7
85.02956	0.8
85.79568	0.2
86.25956	0.3
87.00893	0.6
89.02461	1.1
95.01369	0.3
95.05013	0.3
97.02965	0.3
99.00886	0.4
101.02473	2.1
103.04057	0.3
113.02473	0.9
114.58585	0.2
118.80975	0.2
119.03500	0.4
129.26581	0.3
134.05243	0.3
144.53070	0.3
145.05055	0.7
161.04575	1.1
163.11337	1.3
165.12854	1.0
191.10843	0.4
209.11838	58.2
210.12196	4.0
227.12895	9.2
228.13286	0.5
235.08228	7.1
253.09305	6.5
253.21693	0.3
255.23282	100.0
256.23645	8.4
281.24835	0.3
445.20691	0.8
491.32330	2.5
492.32327	0.4
761.38477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	0.1
59.01373	0.1
61.98828	100.0
62.98521	0.2
62.99235	0.1
63.96243	0.2
68.14641	0.1
69.03453	0.1
69.17348	0.1
71.01388	0.9
71.41998	0.1
71.42319	0.1
73.02956	0.2
78.98589	0.6
79.95734	1.3
80.96519	8.6
81.03461	0.1
85.02980	0.3
87.00872	0.4
94.98097	1.9
96.96037	0.2
97.02954	0.2
101.02454	0.3
106.98108	0.3
113.02483	0.1
122.97602	0.5
122.98348	0.1
125.02465	0.4
127.04057	0.1
134.97594	0.7
136.99182	0.2
146.97606	0.1
148.99165	0.8
152.98640	0.8
163.31160	0.1
164.98625	1.5
206.99719	0.4
225.00740	2.7
255.23326	0.3
507.15564	0.4
537.26801	0.1
763.39691	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	761.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52784	3.0
57.81568	3.1
59.01387	7.0
61.98830	48.1
65.58974	3.4
71.01378	7.2
71.74219	4.9
80.96516	12.9
83.04993	3.6
88.81223	3.7
89.02460	3.7
94.98045	3.1
101.40378	3.2
107.43613	2.9
173.44791	5.2
183.13918	51.5
184.14227	8.5
209.11848	100.0
210.12166	4.5
227.12881	23.1
235.08258	5.4
253.09245	11.6
277.21790	18.6
278.21988	4.0
279.23257	49.3
395.75430	3.8
445.20731	6.6
723.43561	35.8
724.44025	9.2
725.43732	22.8
761.42889	33.3
762.41345	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	761.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01373	0.8
62.50560	0.3
62.50900	0.3
63.96251	2.0
69.03453	0.9
71.01385	9.5
71.05015	0.3
73.02956	2.0
75.00871	0.3
78.45847	0.2
78.95940	0.3
78.98598	6.9
79.95261	0.6
79.95741	15.2
80.96523	88.6
81.03477	0.9
83.01363	0.4
85.02957	3.8
87.00896	2.6
93.97253	0.3
94.98096	20.6
95.01408	0.4
96.96027	1.3
97.02946	2.0
99.00906	0.7
99.04559	0.4
101.02466	2.3
106.98103	3.9
113.02474	0.5
122.97604	4.6
125.02463	4.1
127.04032	0.9
134.97607	5.8
136.99153	2.0
146.97624	0.6
148.99167	7.6
149.99533	0.3
152.98669	6.6
155.36278	0.3
164.98651	14.8
165.98961	0.4
167.00165	0.8
179.00217	0.4
188.98595	0.4
191.48265	0.3
195.14027	0.4
206.99673	3.5
209.11816	0.5
223.13417	0.8
225.00743	23.4
226.01083	0.9
226.44556	0.3
233.15428	0.3
255.23329	2.3
256.23593	0.3
283.04965	0.5
498.76517	0.3
505.17477	3.4
537.27496	1.7
551.02692	0.3
761.41748	100.0
762.42096	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	761.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
58.07279	0.8
59.01377	8.0
60.99292	1.4
61.98833	19.3
65.05245	0.9
68.46276	0.9
69.03455	2.0
71.01400	4.9
71.05028	1.0
71.75116	0.8
71.75509	1.0
72.99302	0.9
78.53145	0.9
80.02707	1.1
80.96565	0.8
81.03429	1.0
83.05016	3.9
87.00882	6.3
88.00424	1.4
88.98833	5.9
89.02449	2.9
99.00867	1.0
101.02455	3.7
111.08198	0.8
113.02459	1.8
116.92855	6.1
119.03557	0.9
125.02444	1.6
125.09724	1.1
125.44516	0.8
144.85310	0.8
147.45926	0.9
161.04572	2.2
163.11330	4.2
165.12897	2.0
167.10799	2.6
171.10280	4.5
179.10890	1.5
179.14436	3.6
195.13914	9.6
205.12358	8.1
209.11839	100.0
210.12213	6.6
211.13358	2.0
223.13403	84.0
224.13797	6.7
227.12880	16.7
235.08228	3.8
239.12813	1.0
253.09285	8.6
261.14755	1.5
368.67798	0.8
441.21457	1.4
445.20822	3.8
459.22424	17.8
460.22827	2.4
463.21835	0.9
633.32904	2.4
643.13885	0.9
651.33887	6.8
669.34613	2.5
761.42377	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
60.99307	16.0
61.98831	3.5
71.01384	0.6
71.75883	0.2
72.99318	0.2
73.02937	0.2
76.23696	0.2
78.95914	0.5
79.95757	0.2
85.02973	0.2
87.00883	0.6
88.00420	0.7
88.98816	100.0
89.02448	2.2
89.99158	1.0
96.96023	5.7
96.96940	0.9
98.95639	0.3
99.92591	0.7
101.02457	0.3
108.02175	0.2
113.02521	0.2
115.92095	1.6
116.92132	0.3
116.92863	1.3
121.02943	0.2
125.02451	0.3
135.33099	0.1
163.04002	0.2
164.04810	0.3
169.01456	0.3
171.10324	0.2
174.01753	0.4
207.10287	0.3
209.11855	1.6
211.13362	1.4
227.12857	0.3
230.86110	0.2
253.09384	0.2
271.09705	0.2
444.53265	0.2
503.33505	0.2
671.33472	0.2
761.27539	1.5
761.39478	0.5
762.28729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84382	0.3
56.31001	0.4
59.01389	1.6
61.98840	0.6
62.76832	0.4
63.02407	0.4
65.00343	0.8
66.14288	0.4
69.03463	0.8
70.18407	0.8
70.18826	1.0
71.01383	4.2
71.89639	0.3
72.99313	0.6
73.02946	0.5
79.01915	0.7
80.86030	0.4
83.01397	1.4
85.02975	1.4
88.98849	0.4
89.02464	1.3
92.69748	0.4
93.03479	2.3
95.01401	1.0
97.02980	1.2
98.20617	0.4
99.00896	0.5
101.02451	1.9
107.01405	6.3
108.02201	0.4
109.02973	0.5
110.36030	0.3
111.00907	1.3
113.02501	1.8
116.71209	0.3
121.02988	0.8
123.00912	6.7
124.01694	0.8
125.02465	39.0
126.02824	1.1
135.04575	0.4
136.98947	0.6
137.02470	3.9
139.00398	1.9
140.01202	1.6
141.01984	0.9
145.02965	0.5
147.04575	0.6
149.02444	0.5
151.00401	7.7
151.04066	0.6
152.00766	0.3
153.01964	0.6
159.04533	0.6
163.00362	0.6
165.01973	1.1
167.03447	0.8
168.00687	2.6
169.01448	58.8
170.01836	2.3
179.03555	0.6
180.04352	0.4
185.06070	0.9
187.03949	0.6
193.01393	0.9
201.05550	0.5
211.02437	4.1
211.03992	0.5
213.05563	0.8
215.03563	0.4
221.04677	0.3
227.03522	11.6
228.03979	0.9
229.05048	0.9
239.03452	0.4
241.03503	1.4
243.02878	0.5
249.03951	0.4
253.03532	0.6
255.02994	16.7
255.05675	0.8
256.03549	2.9
257.04471	0.8
269.04343	0.5
269.08206	0.5
271.04504	1.2
275.01904	0.6
283.02536	1.7
284.03265	14.6
285.04047	65.8
286.04364	6.0
299.05508	0.5
300.99908	1.4
306.55597	0.4
313.05637	34.5
314.05945	2.7
327.04993	1.1
357.11926	6.3
411.58890	0.4
447.09314	4.6
448.09735	0.5
475.11023	0.7
599.10455	100.0
600.10797	17.8
676.75043	0.4
737.91052	0.4
761.15710	15.8
762.15344	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67895	0.4
59.01374	3.0
60.56453	0.5
61.98829	4.3
71.01404	2.5
72.99368	0.4
73.02968	1.0
75.91626	0.5
77.48792	0.5
78.95924	0.9
81.03507	0.5
83.05037	2.3
85.02927	0.5
86.36779	0.5
87.00896	0.9
89.02461	1.1
98.20596	1.7
101.02468	2.6
113.02476	1.3
115.85815	0.5
145.05000	0.5
161.04610	1.1
161.81873	0.6
163.11314	2.1
165.12939	0.7
182.60037	0.4
191.10777	0.7
194.40485	0.5
199.13501	0.8
209.11842	64.8
210.12157	3.9
227.12891	8.7
235.08220	6.4
253.09297	7.0
253.21719	100.0
254.22067	7.9
277.21771	1.5
445.20679	1.0
489.30478	1.8
723.42944	0.8
741.89972	0.5
759.40027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87949	0.2
61.98832	100.0
64.44290	0.2
71.01424	0.2
71.71210	0.3
76.95659	0.2
78.95937	0.3
80.26178	0.2
80.96541	0.6
83.77493	0.2
134.00713	0.2
160.84216	1.7
170.19125	0.2
209.11917	0.6
209.81277	0.2
244.91693	0.2
279.67163	0.2
322.87265	0.2
372.57092	0.2
715.43787	0.7
724.28314	0.5
761.38525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.8
59.01385	6.6
61.98837	4.2
69.50845	2.6
69.51274	2.0
71.01386	3.6
72.36565	0.4
78.95895	0.6
83.05013	0.9
85.02956	1.0
87.00864	0.6
89.02455	2.4
95.48991	0.5
97.02958	1.9
97.06589	0.5
98.20614	0.9
101.02442	2.6
111.08178	2.9
113.02466	1.5
116.92845	2.6
119.03596	0.8
119.08712	0.6
125.02377	0.9
125.09732	1.2
127.11295	2.0
137.09698	0.8
137.39635	0.5
161.04575	1.4
163.11311	1.3
165.12834	1.9
166.13181	0.4
169.12344	1.4
171.10284	100.0
172.10622	5.0
177.33099	0.5
181.12297	0.9
197.11853	12.0
198.12164	0.6
199.13373	1.2
209.11810	5.4
210.12178	1.8
211.13554	2.8
212.13802	0.7
217.91397	0.4
223.13171	0.6
227.12917	2.1
235.08205	5.6
236.08531	0.6
247.20728	1.4
253.06609	0.6
253.09259	12.7
254.09702	1.1
263.20160	0.8
273.18488	0.6
291.19641	18.0
292.19977	1.4
295.22784	0.8
309.20715	38.0
310.21005	3.5
311.22232	2.2
312.22681	2.2
313.22931	1.4
407.19272	4.0
408.19455	0.6
463.30838	1.0
527.28943	1.3
545.29443	2.4
611.61462	0.5
759.42865	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	759.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.1
59.01383	7.6
60.99320	1.1
61.98832	6.6
69.03474	1.3
71.01388	7.7
72.99316	0.6
73.02963	1.7
78.95931	0.5
80.96519	0.8
82.54816	0.5
83.01395	0.5
83.05037	1.3
85.02958	6.2
87.00877	2.0
88.98809	4.9
89.02454	3.7
93.03482	0.7
95.01445	0.9
95.05039	1.1
96.96026	0.8
97.02962	1.5
97.06609	5.0
101.02458	5.7
103.00394	0.5
109.06644	0.6
113.02469	2.9
116.92863	2.1
117.02671	0.5
117.03501	1.5
119.03510	1.2
119.05025	1.0
125.02428	1.4
125.09723	1.0
127.11276	1.4
133.10229	0.7
137.02446	0.9
137.09746	1.4
145.03009	3.7
150.03275	1.9
151.00331	0.7
151.11314	12.3
152.11610	0.9
161.04527	1.2
163.03983	0.8
165.05592	1.9
169.01437	1.3
169.12358	70.5
170.12695	3.2
171.10289	18.1
172.10649	1.1
183.13954	1.4
185.11810	1.2
187.03964	0.6
193.12308	0.7
195.06570	0.6
195.10275	0.9
197.11810	0.6
201.11314	1.7
209.11786	2.9
211.07744	0.8
211.13373	7.7
212.13722	0.6
213.11354	7.9
213.18591	0.5
221.11919	1.1
227.03484	1.2
227.12880	0.5
229.05087	1.3
229.14415	4.9
235.08217	0.9
239.12827	1.0
253.09308	4.4
255.02913	2.6
283.02460	1.1
284.03268	2.7
285.04022	13.1
286.04404	0.6
291.19662	1.4
295.19235	0.6
309.20804	1.0
327.21759	15.6
328.22034	1.3
341.23105	0.8
341.26956	1.3
431.19464	0.7
444.79755	0.5
449.20380	2.2
563.30945	0.7
727.95856	0.6
759.42029	100.0
760.42340	25.7
760.64764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84135	0.6
57.03437	0.7
59.01376	7.0
60.99297	2.9
61.63574	0.5
61.98832	72.3
69.39514	3.6
69.39941	2.5
71.01389	6.9
71.05025	0.7
72.99316	2.4
73.02947	1.6
79.95731	0.6
83.01431	1.1
83.05008	0.6
84.02140	0.6
85.02956	2.4
87.00872	1.0
88.98817	14.4
89.02451	5.4
93.03474	1.0
95.01390	1.1
96.96017	1.9
97.02966	0.6
99.00867	0.7
101.02444	4.2
108.02176	1.4
109.02946	2.2
111.00888	1.8
113.02440	3.2
116.92867	1.7
119.03506	2.7
121.02953	3.1
122.03731	1.2
122.54756	0.6
123.00895	2.5
123.04550	1.8
124.01671	1.2
125.02474	3.4
134.03700	1.0
134.06126	0.6
135.04549	0.8
136.01678	48.7
137.02516	7.8
137.06076	0.6
139.00417	0.8
139.03979	1.3
143.03510	0.9
145.02975	0.7
145.06628	0.8
147.04514	0.8
149.02477	1.6
150.03244	2.0
151.00403	11.7
151.04025	65.8
152.01122	1.3
152.04373	3.5
159.04524	1.1
160.05318	1.9
161.02480	1.6
161.04601	1.5
161.06038	1.3
162.03253	1.1
163.03954	1.2
163.49162	0.6
164.04803	1.0
165.01941	1.6
165.04144	0.9
165.05592	1.5
166.02730	38.0
167.03288	2.8
169.01418	2.6
171.10287	1.4
173.02470	1.3
175.02687	0.6
175.04022	2.1
175.07635	1.9
176.04794	1.2
177.01984	1.5
177.05577	1.7
178.75612	0.6
179.03473	1.6
179.05653	2.1
179.07135	1.2
180.04240	0.6
181.05081	56.5
181.12239	0.8
182.05397	2.9
187.03972	0.9
189.05621	2.1
190.06357	2.1
191.03549	2.4
191.07208	0.7
192.04202	0.6
193.04991	0.8
195.02904	0.7
195.06609	2.5
205.05077	2.5
205.08638	1.5
206.05812	2.1
207.06465	0.9
209.04518	0.7
209.11880	2.6
220.07347	1.2
221.04756	0.7
221.08224	6.9
227.12920	1.0
229.14438	0.9
233.08284	0.8
236.09660	1.1
282.05249	1.0
285.03998	0.9
294.05255	1.6
297.07651	1.3
309.07733	1.7
311.09271	0.8
324.09970	1.2
327.08762	1.8
327.12283	0.6
329.10318	2.4
339.12491	0.7
341.13754	0.7
342.11102	6.0
343.11734	2.0
357.09668	12.5
357.13470	30.0
358.10187	1.0
358.13727	4.5
369.13431	3.0
371.14911	1.9
372.12128	13.7
373.12595	2.7
387.14502	100.0
388.14859	11.4
401.16174	1.7
417.15460	4.4
418.15982	0.7
471.30554	0.6
472.31659	0.9
534.31781	0.9
567.22430	9.1
568.22723	2.1
576.32642	0.8
579.22699	1.2
597.23413	54.1
598.23682	14.4
669.31635	0.7
696.37042	11.1
697.37762	1.2
759.27338	3.2
759.41034	2.5
760.28436	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
58.00573	0.4
59.01376	5.5
60.99305	0.7
61.98831	69.7
71.01386	4.4
71.09044	0.4
71.76052	0.4
71.76494	0.5
72.99328	0.8
73.02945	0.6
75.00902	0.4
83.01402	0.8
85.02976	1.1
87.00863	0.4
88.98808	0.8
89.02469	2.6
90.56408	0.4
93.03463	0.4
96.96030	1.3
101.02435	2.2
107.01396	0.4
109.03007	0.4
113.02466	1.5
115.19753	0.4
116.92874	1.7
119.05070	0.5
121.02976	0.6
123.00903	0.9
123.04556	0.4
125.02469	2.7
137.02480	0.8
150.03215	1.3
151.03990	0.6
164.07225	0.4
165.05591	1.5
166.02681	0.4
169.01450	2.2
181.12408	0.5
191.05756	0.5
195.06599	0.8
207.06786	0.4
281.06857	0.4
285.03946	1.0
300.99939	0.4
315.67294	0.4
345.13507	0.5
357.13019	0.5
377.28308	0.8
393.28302	0.5
395.29544	0.8
401.12491	1.4
407.29498	1.2
423.29059	3.5
425.30563	0.6
439.28165	0.5
441.30051	0.7
453.29913	0.5
457.29697	0.5
467.27655	1.8
471.31192	7.9
472.31650	1.2
478.13953	0.5
485.29053	16.5
486.29205	2.0
527.30139	2.8
533.31177	0.6
562.21198	0.4
577.66852	0.4
612.44977	0.4
647.34686	0.8
695.36688	100.0
696.37030	21.8
723.23413	1.1
758.33551	0.7
759.20917	0.5
759.34381	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.6
59.01379	9.9
61.98831	32.8
62.05167	0.6
69.03439	0.9
71.01385	17.8
72.99310	1.3
73.02951	3.1
78.95911	3.1
79.87366	0.7
81.03457	1.3
83.01402	1.5
83.05034	3.3
85.02941	2.7
87.00886	2.6
89.02439	3.6
95.01395	0.8
95.05013	1.2
97.02975	1.7
97.06601	1.4
99.00892	1.6
99.08194	0.7
99.92608	0.6
99.95351	0.7
101.02453	5.9
109.06596	3.6
111.00931	1.1
111.08183	0.8
113.02457	3.9
113.09729	9.0
113.10434	0.9
116.92873	4.9
121.80760	0.5
125.02483	1.0
125.09719	2.1
127.11274	1.1
135.08167	0.7
137.09714	0.9
139.11258	1.1
143.03473	1.1
145.05089	1.0
149.09669	1.5
152.99603	1.4
155.10834	0.9
161.04570	2.2
161.09659	1.1
163.11310	7.6
165.12819	2.0
167.10741	1.4
171.10281	33.7
172.10640	1.5
177.12773	1.2
179.05650	0.8
179.10814	1.0
181.12367	1.9
185.11815	2.3
189.09184	0.9
195.13913	15.5
196.14291	1.1
196.89479	2.0
197.11922	3.1
199.13371	1.7
200.13747	0.9
201.11334	13.3
202.11600	0.9
207.10258	12.5
208.10593	1.2
209.11830	45.6
210.12117	3.8
211.13451	4.8
212.13727	2.5
215.12933	1.7
225.11317	20.3
226.11682	1.6
227.12897	8.0
228.13200	1.7
229.13579	0.8
235.08180	4.3
243.12387	1.5
249.22171	1.3
253.09270	20.6
254.09581	1.6
275.20062	0.8
277.21725	14.3
278.22021	0.8
283.58041	0.8
289.18002	1.3
290.18417	0.7
291.19556	1.5
292.20032	1.4
293.21210	48.3
294.21606	5.5
295.22772	100.0
296.23108	10.5
307.19128	2.8
308.19321	0.8
309.20618	1.9
310.21005	1.7
311.21640	1.1
327.21390	0.8
370.49573	0.8
385.23987	0.6
400.06793	0.6
413.65359	0.7
443.19250	1.4
445.20630	0.7
449.33130	0.6
461.20267	3.4
503.33502	0.9
625.43158	0.7
701.10205	0.8
739.42493	3.2
740.43610	1.9
755.69861	0.7
757.43799	3.4
758.44434	1.1
784.71515	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95173	0.8
57.03432	2.8
59.01377	10.5
59.36478	0.8
60.67838	0.8
61.98829	8.6
69.03451	1.9
71.01382	15.3
71.22992	1.9
71.23335	0.9
72.99310	2.0
73.02959	1.9
76.63813	0.9
78.91926	1.0
78.95922	2.2
80.91684	19.2
81.03455	1.4
82.95409	1.7
83.01399	2.4
83.05028	3.0
85.02948	4.5
87.00886	3.8
89.02444	5.7
89.26709	0.8
90.02857	0.8
95.01344	1.3
95.05043	2.5
95.08150	0.9
97.02988	2.7
97.06590	8.3
99.04542	1.0
101.02454	8.4
109.06597	1.8
111.08145	1.2
113.02473	5.3
114.93416	1.0
116.92869	1.0
119.03505	2.2
125.02435	1.6
125.09710	4.9
137.09723	1.3
143.03444	1.1
145.05052	2.4
149.09656	1.3
151.11299	30.9
161.04573	3.4
163.11325	3.5
167.10716	2.0
169.12350	100.0
170.12697	4.4
171.10277	8.4
179.10796	1.1
183.13876	4.9
184.14221	3.2
185.11836	4.9
191.14432	2.6
193.12468	1.2
195.10275	5.4
197.11784	4.4
198.12157	1.5
199.13419	1.8
201.11342	2.1
207.10262	3.2
208.63632	1.0
209.11848	30.4
210.12169	3.8
211.13408	5.9
213.11320	25.7
214.11543	2.1
221.11829	3.2
222.81920	0.9
225.11346	2.8
227.12976	6.3
235.08351	6.9
237.11346	1.4
239.12854	2.1
245.19096	4.0
253.09242	11.1
254.09714	1.5
263.20258	1.3
277.21765	3.8
289.18100	15.8
290.18399	1.6
292.19864	1.5
293.21359	5.6
295.22614	1.9
307.19110	9.7
308.19446	1.5
309.20663	2.3
310.20975	1.3
311.22116	4.0
327.21793	1.3
359.21964	1.3
397.13611	4.3
415.14502	1.9
431.19244	7.5
432.19473	1.2
437.12656	1.8
445.20929	1.1
449.20258	13.9
450.20633	2.8
459.31439	1.1
531.24243	1.3
533.57086	1.0
623.30762	1.9
641.31592	5.5
659.35693	1.5
671.32947	6.1
672.33093	2.0
739.39203	16.6
740.39331	4.3
752.74738	1.1
757.42297	14.8
758.42651	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	756.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.2
61.98830	100.0
62.98535	0.3
71.65538	0.2
78.95902	0.2
80.96544	0.2
101.68408	0.1
106.72267	0.1
152.99603	0.2
197.11894	0.4
198.12314	0.2
207.10326	0.3
209.11894	0.3
253.21651	0.3
277.21823	0.2
278.21951	0.3
279.23376	0.6
293.21457	0.2
346.12003	0.1
577.39142	0.1
627.62372	0.2
756.44952	0.2
757.39148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
59.01083	0.4
59.01380	6.9
61.90265	0.2
67.01888	0.7
68.99817	1.4
69.03443	1.0
69.70411	1.3
69.70841	0.6
71.01386	7.8
72.99319	2.5
73.02945	1.0
74.59569	0.2
75.00878	9.7
76.01196	0.3
76.96832	0.2
80.25835	0.2
81.03451	0.3
83.01413	0.5
85.02959	10.2
87.00886	3.5
89.02457	1.5
91.04033	0.4
93.03465	0.9
95.01399	2.7
99.00890	5.4
99.94586	0.2
101.02422	0.3
103.00387	1.0
109.02948	0.4
111.00924	0.5
111.04553	0.3
113.02464	12.0
115.00400	0.9
117.01967	1.6
121.02969	47.6
122.03309	2.2
129.01955	1.0
157.01363	0.5
160.15176	0.2
175.02513	1.2
189.04091	0.7
231.05103	3.1
249.06151	30.3
250.06578	1.9
336.81180	0.3
353.08914	0.6
371.09836	100.0
372.10190	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	757.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56770	2.3
59.01382	6.2
60.99292	8.1
61.98830	59.3
65.37408	2.2
78.95924	12.0
79.87968	2.5
80.96520	9.9
83.28706	2.2
88.28571	2.5
88.98808	44.3
89.02448	5.9
97.02928	2.4
109.06603	7.8
113.02496	2.7
152.99596	4.9
163.11243	4.9
189.09227	3.0
201.04007	2.6
207.10249	44.5
225.00600	2.9
225.11276	12.2
235.08203	9.3
248.34024	2.4
253.09302	14.4
277.18777	5.4
277.21722	100.0
278.22052	13.4
279.23245	5.9
295.22845	3.0
443.18854	4.2
513.30426	4.2
721.41956	38.6
722.42114	12.2
732.84607	2.8
757.38776	19.6
758.39673	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	757.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.1
61.98832	67.9
62.76187	3.1
71.01392	6.3
71.69448	5.7
75.41812	3.3
78.95904	21.3
80.96545	6.6
88.98815	13.2
89.02419	6.8
101.02472	8.3
109.06587	23.1
142.95667	3.4
152.99599	10.2
163.11330	8.3
176.33424	3.7
189.09189	5.5
201.11438	4.3
207.10263	100.0
208.10571	9.3
209.11899	7.6
225.11320	36.2
235.08197	4.2
253.09283	18.9
255.23367	5.6
259.47528	3.5
277.21756	86.2
278.22134	12.6
279.23129	5.3
293.24921	6.8
307.53735	3.7
391.98013	3.9
443.19064	16.6
461.20331	15.0
684.42230	4.2
721.29822	6.7
721.41827	60.6
722.42297	12.9
737.45105	4.1
757.39404	21.2
758.39600	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	755.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.7
57.03447	2.2
58.00590	1.5
58.62947	0.5
59.01376	14.2
61.98831	5.5
67.18845	0.7
67.77429	0.5
69.03456	2.0
71.01384	41.1
71.05026	1.2
72.26094	0.5
72.99308	1.6
73.02949	5.9
78.95879	0.7
80.02685	1.9
81.03471	2.8
83.01392	1.8
83.05029	7.4
84.02159	1.4
85.02952	5.7
87.00887	4.7
89.02449	8.4
93.03494	0.8
95.01405	1.3
95.05025	3.1
97.02956	3.8
97.06592	1.8
99.00909	3.2
101.02458	10.0
106.04282	0.7
109.06604	10.3
110.03731	0.9
111.00913	1.9
111.04587	1.1
111.08189	5.5
113.02466	6.4
119.03539	1.7
121.06620	1.1
121.10220	1.5
123.04584	1.5
123.08254	0.9
125.02473	1.3
125.06126	1.1
125.09729	5.3
127.11318	3.5
131.03529	0.8
135.08182	1.8
136.05171	0.8
137.02426	0.8
137.09718	1.6
139.07687	0.6
139.11324	1.2
139.81804	0.5
141.01958	0.9
142.02744	1.4
143.03537	2.4
145.05142	1.4
145.10257	1.1
147.11880	0.8
149.09729	1.5
151.11328	1.8
152.99574	0.6
153.09097	0.7
153.52229	0.5
155.10791	2.2
161.04581	3.8
161.09743	1.1
163.11301	14.6
164.11609	1.0
165.12894	4.7
165.47339	0.6
166.13232	0.7
167.10759	2.5
169.12346	1.6
171.10287	60.5
172.10641	3.0
177.12843	1.6
179.05640	1.1
179.10854	3.7
179.14403	1.0
181.12410	5.5
183.14015	3.5
185.11856	5.7
189.09236	2.4
191.10835	1.7
193.12569	0.6
195.13925	9.9
196.14377	0.8
197.11823	6.7
199.09792	1.6
199.13434	6.9
201.11339	24.2
202.11671	1.4
205.12422	0.7
207.10269	35.8
208.10593	3.2
209.11833	100.0
210.12163	10.7
211.13542	5.7
212.13733	0.8
215.12880	2.4
223.13380	5.4
224.13824	0.7
225.11325	44.0
226.11668	2.6
227.12881	17.5
228.13313	2.6
231.21089	0.8
235.08203	8.6
235.17068	1.2
243.12370	2.8
245.19089	0.8
247.20618	2.2
253.09276	33.3
254.09540	1.3
256.13187	0.8
263.20081	0.8
273.18564	1.2
275.20154	15.4
276.20569	1.6
289.18176	2.0
291.19650	49.8
292.19974	4.6
293.21213	92.5
294.21545	9.1
295.10397	2.4
299.14899	1.0
307.19193	2.6
308.19418	2.7
309.20679	16.5
310.21176	1.4
311.22409	4.0
317.21011	0.7
407.18954	1.2
441.55786	0.6
443.13824	0.7
443.19077	3.4
445.20743	1.2
450.77158	0.6
461.20242	8.2
462.20654	1.1
463.21613	0.8
477.32034	0.8
479.21338	0.9
483.31033	0.6
501.32416	0.8
541.07336	0.7
545.29266	0.9
691.33063	0.7
737.41394	6.8
738.41510	1.6
755.42529	10.5
756.42493	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03442	1.3
59.01382	7.6
61.98826	1.6
62.91302	0.3
66.11678	0.3
69.03455	1.1
71.01385	5.9
71.05010	0.4
71.18613	0.9
72.99310	0.5
73.02953	1.8
78.16929	0.4
78.91901	1.0
83.01393	0.9
83.05035	1.2
85.02955	1.4
87.00867	1.7
89.02454	3.9
95.01393	0.5
95.05040	0.4
97.02950	1.8
97.06615	1.4
98.19977	0.4
101.02455	5.2
109.06579	0.7
111.04533	0.3
111.08172	6.5
111.41825	0.3
113.02461	3.3
119.03481	0.7
120.01109	0.3
121.06658	0.4
125.09740	0.5
135.08144	0.4
137.09746	1.0
141.12895	0.4
143.03500	0.3
145.05054	0.7
147.11693	0.3
151.11331	0.6
153.12895	0.7
161.04572	1.9
163.11320	1.5
165.12859	11.0
167.14470	0.4
169.12349	3.2
171.10327	2.0
177.12930	0.3
179.10794	0.3
181.12381	1.1
183.13913	100.0
184.14238	6.5
189.49599	0.4
192.44157	0.4
193.12308	0.4
197.11844	23.6
198.12161	1.3
199.13411	1.5
204.37662	0.3
207.10292	1.0
209.11844	6.7
210.12192	1.3
211.13419	3.6
225.11368	1.0
227.12888	7.2
235.08273	3.2
247.20642	1.7
253.09279	6.9
254.09500	0.4
263.20132	1.0
264.20102	0.4
273.18661	0.8
289.17984	0.5
291.19662	9.8
292.19968	1.0
293.21069	1.1
309.20724	15.8
310.21078	1.7
311.22217	0.8
327.21716	1.0
357.31546	0.4
419.22537	0.6
433.20422	0.4
445.20734	2.4
463.21814	3.3
464.22174	0.4
467.02716	0.4
545.29425	0.8
657.34753	0.8
737.41888	0.6
755.42511	93.7
756.42847	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	755.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55292	0.4
55.01869	0.6
57.03443	1.7
58.00578	1.1
59.01377	7.9
61.06483	0.4
61.98837	3.1
69.03468	1.2
71.01389	7.4
72.99310	0.5
73.02944	2.4
78.91863	0.7
80.91663	0.6
81.02464	0.4
81.03472	0.6
82.23124	0.4
83.01396	1.4
83.05022	1.1
85.02956	2.5
87.00883	1.2
89.02447	3.1
95.01381	0.6
97.02974	0.6
97.06606	1.5
99.00912	0.6
101.02460	5.8
109.06612	0.9
111.00895	0.4
111.08176	8.4
113.02448	3.1
116.92841	0.5
119.03510	0.7
127.07655	1.1
131.03539	0.4
133.05046	0.5
143.03461	0.6
145.05093	0.6
151.11288	0.7
153.09265	0.4
153.12891	0.8
161.04582	2.9
163.11295	0.9
165.12857	8.6
166.13141	0.8
169.12332	4.7
170.66805	0.4
171.10246	1.8
179.10789	0.6
181.12326	1.5
183.13910	99.7
184.14233	6.1
185.11873	0.9
193.12325	0.5
195.14006	0.5
197.11838	35.5
198.12167	2.8
199.13403	3.2
201.11316	0.6
207.10286	1.4
209.11829	6.7
210.12151	1.1
211.13417	9.1
212.13768	0.7
225.11334	1.4
226.11784	0.5
227.12885	9.3
228.13249	0.5
229.33954	0.4
235.08197	3.4
253.09261	9.0
254.09755	0.7
263.20023	2.4
273.18542	0.7
275.20319	0.6
289.17673	0.5
291.19632	8.4
291.22910	0.5
292.19901	0.8
293.21094	2.0
309.20709	15.8
310.21069	2.4
311.22284	0.7
327.21689	0.8
411.54742	0.5
419.22906	0.7
434.39825	0.5
445.20721	2.4
446.21167	0.8
463.21613	3.0
468.22559	0.4
657.35248	3.3
658.35138	1.2
737.41498	1.8
755.42487	100.0
756.42828	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	755.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
58.00596	0.3
59.01379	4.2
61.98832	0.5
69.03453	0.9
71.01385	3.9
71.03767	0.3
71.04102	0.3
73.02971	0.5
80.02672	1.1
81.03468	1.3
82.29166	0.2
83.01411	0.7
83.05032	4.7
84.02184	0.7
85.02969	0.8
87.00883	0.7
87.78463	0.2
89.02456	2.5
93.03474	0.2
95.01378	0.2
95.05042	1.0
97.02968	2.6
97.06613	0.5
101.02456	3.2
109.06614	0.4
111.08186	4.3
111.08965	0.4
113.02465	2.0
113.48880	0.2
119.03561	0.4
119.08662	0.2
123.08176	0.3
125.06097	0.5
125.09746	0.7
135.08197	0.7
137.09752	0.7
139.11362	0.2
143.03514	0.3
151.11259	0.3
153.12885	0.7
161.04597	1.5
163.11325	4.1
164.11642	0.4
165.09290	0.2
165.12874	4.0
167.10823	0.4
169.12364	1.5
171.10284	2.2
179.05655	0.5
179.14427	0.3
181.12357	1.2
183.13942	0.5
185.11971	0.2
191.10910	1.2
193.12363	0.5
197.11847	20.2
198.12202	1.0
199.13411	1.2
207.10287	0.4
209.11847	100.0
210.12184	5.9
211.13402	3.6
221.11848	0.3
223.13483	0.4
225.11345	0.4
227.12900	13.3
228.13260	0.7
235.08220	2.5
247.20686	1.4
253.09285	13.4
254.09593	0.6
263.20187	0.9
265.18054	0.5
273.18668	1.3
291.19650	21.7
292.19995	1.8
293.21204	0.4
309.20709	46.8
310.21085	4.2
382.69281	0.2
424.67276	0.2
433.20932	0.3
441.16687	0.2
445.20966	1.1
501.32147	0.7
511.27823	0.2
519.33356	0.3
527.29608	0.2
545.29938	1.2
711.89996	0.2
755.41962	0.3
757.37500	0.2
763.06982	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03457	0.2
58.00589	0.5
59.01378	3.8
61.98822	0.5
66.66771	0.1
67.43864	0.1
68.99860	0.1
69.03459	0.5
69.92347	0.2
69.92767	0.6
71.01383	3.3
71.29079	0.1
72.99312	0.2
73.02942	0.5
75.27972	0.1
80.02677	0.9
81.03453	1.0
82.77029	0.1
83.01391	0.5
83.05035	4.0
84.02185	0.6
85.02962	1.0
87.00886	0.6
89.02455	2.7
95.01403	0.4
95.05038	0.6
97.02969	0.6
97.06593	0.4
99.00880	0.3
101.02454	3.3
109.06617	0.6
111.00867	0.1
111.08168	6.2
112.08479	0.2
113.02476	1.5
119.03506	0.6
123.08173	0.2
125.06089	0.3
125.09827	0.1
125.21897	0.1
127.07672	0.5
131.03535	0.2
133.05093	0.2
135.08203	0.6
137.09779	0.1
137.12038	0.1
143.03526	0.4
145.05118	0.2
147.11810	0.2
151.11336	0.5
153.09222	0.2
153.12891	0.7
157.05093	0.2
161.04593	1.6
163.11305	3.6
164.11601	0.2
165.12875	2.1
165.21359	0.1
167.10735	0.2
169.12341	2.8
171.10318	0.5
179.05531	0.7
179.10732	0.3
181.12363	1.5
183.13896	0.4
185.11992	0.2
185.88922	0.2
191.10771	0.8
193.12407	0.3
197.11841	29.4
198.12184	2.0
199.13387	2.1
207.10255	0.2
209.11835	100.0
210.12177	7.0
211.13405	4.7
212.13634	0.2
221.11832	0.2
225.11446	0.2
227.12894	12.9
228.13161	0.9
229.19608	0.2
235.08206	3.0
247.20615	0.4
253.09271	16.8
254.09717	0.9
263.20154	1.9
264.20547	0.2
265.18079	0.7
269.00919	0.2
273.18576	0.5
291.19647	13.5
292.19901	1.6
293.21249	0.2
309.20703	45.7
310.21042	4.8
408.85583	0.2
433.20480	0.3
439.43234	0.2
441.40063	0.2
445.20758	1.2
501.32288	0.4
502.32718	0.2
519.33606	0.3
527.28503	0.4
545.29700	1.1
546.30048	0.1
737.41223	0.2
755.42059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
58.00616	0.4
59.01378	3.9
61.98832	11.5
63.43443	0.2
67.01880	0.6
67.21198	0.2
67.22025	0.2
67.85118	0.2
69.03460	0.5
69.85367	1.5
71.01387	4.1
71.05009	0.2
73.02959	0.6
73.76454	0.2
78.47808	0.2
78.95937	0.3
78.98624	0.2
79.93131	0.2
79.93714	0.2
79.95744	1.1
80.02700	0.9
80.91707	0.5
80.96524	1.8
81.03468	1.3
83.01387	0.7
83.05040	4.1
83.05516	0.3
84.02185	0.5
85.02932	1.3
87.00901	0.8
89.02452	2.4
93.03476	0.4
94.98100	0.3
95.01435	0.3
95.05053	1.0
96.96033	2.6
96.96986	0.4
97.02988	0.3
97.06605	0.4
99.00877	0.5
101.02457	3.4
106.98071	0.3
109.06620	0.6
111.08192	1.2
113.02450	2.0
116.92895	1.2
119.03509	0.8
121.02982	0.3
121.10254	1.9
123.08242	0.5
125.02505	0.6
125.06075	0.4
125.09739	3.3
135.08162	0.6
137.09732	0.8
139.77751	0.2
141.12840	0.3
143.03542	0.4
145.05086	0.3
147.08192	0.2
149.46498	0.2
153.12863	0.2
161.04634	1.5
163.11331	3.2
164.98738	0.3
165.12903	2.7
167.14439	1.0
168.00702	0.2
169.12433	0.3
171.10295	10.8
172.10654	0.6
179.05606	0.5
181.12378	0.7
183.13976	0.5
185.11859	3.5
186.12134	0.3
191.10800	0.6
195.14006	0.5
197.11845	3.1
199.13437	1.3
207.10315	0.6
209.11850	100.0
210.12181	6.2
211.13417	52.6
212.13763	2.9
214.56070	0.2
223.13425	0.5
225.00745	0.4
225.11357	0.8
226.11702	0.3
227.12904	19.3
228.13319	1.1
233.11507	0.3
235.08253	3.8
247.20769	0.8
249.14972	0.4
251.16595	1.3
253.09282	9.8
254.09622	0.4
273.18567	0.8
289.18298	0.4
291.19659	43.9
292.20007	3.9
300.02744	0.3
309.20734	4.8
310.20886	0.7
329.21219	0.8
407.19135	0.5
415.18628	1.4
415.68869	1.3
416.18796	0.7
445.20758	2.7
446.21100	0.4
447.22409	1.4
451.46759	0.3
463.21683	0.7
471.31555	0.4
509.27548	0.5
527.28644	3.7
528.28754	0.7
545.29236	0.4
639.33862	0.8
665.28827	0.4
695.38794	0.3
719.40314	0.8
737.41943	0.3
755.41168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58887	0.4
57.03437	1.0
59.01121	0.6
59.01382	6.7
60.99303	1.5
61.98832	22.9
63.96234	1.6
65.00312	0.5
69.03465	0.8
69.32172	0.7
69.32571	5.1
70.36743	0.5
71.01381	12.1
72.99312	1.4
73.02946	2.7
74.88247	0.4
78.95926	0.6
78.98601	5.7
79.95744	14.0
80.96523	69.4
81.03452	1.0
83.01394	1.6
85.02953	3.9
87.00897	3.6
88.98811	11.0
89.02446	2.3
93.03483	1.3
93.43185	0.4
94.98094	16.6
95.01405	1.2
96.96027	8.5
97.02969	2.1
99.00884	0.7
99.04507	0.6
101.02457	4.8
102.85906	0.4
106.98106	2.4
107.01410	1.5
108.02198	1.1
109.03008	0.9
109.51144	0.4
110.58059	0.5
111.00904	1.0
113.02463	2.1
116.92901	2.6
117.03485	0.7
119.03571	0.5
119.05013	0.6
120.99615	0.5
121.02955	0.8
122.03765	0.7
122.97610	3.5
123.00921	2.2
123.04541	1.0
124.01636	0.5
125.02469	13.6
126.02766	0.6
127.04004	1.1
134.97615	4.7
136.99141	1.3
137.02481	1.8
139.00395	1.4
140.01141	1.1
145.02982	2.1
148.99167	6.6
149.02457	1.3
149.06067	0.8
150.03229	3.8
151.00400	1.8
151.04021	1.6
152.01190	0.9
152.98677	6.3
153.01970	0.5
161.04573	0.6
163.04034	0.7
164.98642	13.6
165.01965	1.1
165.05556	3.2
166.02751	1.5
166.06293	0.9
167.00113	0.8
167.03522	0.4
167.07140	7.7
168.00635	2.1
169.01447	13.7
170.01796	0.5
177.02025	1.1
179.03529	0.8
180.04262	0.6
181.01459	1.9
181.05080	1.7
181.08789	0.5
183.03026	1.3
188.98711	0.6
195.06604	1.5
201.11368	1.3
206.99661	3.7
209.11862	4.8
210.12184	0.6
225.00746	28.2
226.01048	1.1
227.12947	0.6
229.05101	1.3
231.16077	0.6
255.03008	1.0
257.04395	0.5
275.01498	0.4
283.05145	0.8
284.03320	1.1
285.04028	9.9
286.04324	1.0
290.90073	0.4
300.99991	0.9
313.12921	29.1
314.06122	0.5
314.13214	2.6
337.88535	0.5
483.15482	2.3
509.16873	3.4
527.18176	2.1
531.30078	0.5
533.31299	1.0
558.17731	2.0
559.17554	0.5
573.16284	1.3
673.34393	0.8
692.22723	1.1
695.37128	1.4
711.29016	6.2
719.28802	1.1
737.30963	1.0
755.32202	100.0
756.32568	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1858
Annotation	Kaempferol 3-(6''-p-coumarylglucoside)-4'-glucoside
Peak:m/z	Relative Intensity
52.98391	0.3
57.25485	0.3
59.01380	2.1
61.98829	2.9
63.02382	0.9
65.00314	0.6
65.95625	0.3
71.71404	0.3
71.71840	0.4
83.01386	0.5
85.02940	0.6
87.00900	0.8
87.26907	0.3
89.02434	0.8
91.01907	0.3
93.03483	1.2
95.01396	0.6
96.96020	0.4
101.02467	0.8
107.01404	2.2
109.02984	0.8
113.02489	0.6
117.03479	2.4
119.05023	2.6
121.02939	0.4
123.00914	0.9
125.02458	1.8
132.02206	0.6
137.02548	0.4
143.04959	0.5
143.57022	0.3
145.02982	9.6
146.03270	0.6
147.04494	0.4
151.00383	3.7
153.01944	0.4
159.04521	0.7
161.02458	0.5
163.00389	1.5
163.04022	2.2
164.01248	0.5
165.01959	0.4
165.05588	0.6
167.05144	0.4
169.01450	2.7
169.06572	0.6
171.04375	0.4
175.04079	0.5
177.01912	0.7
181.90460	0.3
183.04512	0.8
185.06001	1.6
187.04008	1.9
189.05540	0.5
195.04602	0.4
196.05293	0.3
197.06068	0.5
199.04027	0.8
200.04991	0.3
211.04047	1.8
212.04733	0.5
213.05489	1.6
227.03508	20.0
228.04002	1.8
229.05045	5.6
230.05408	0.4
239.03494	1.1
240.04340	0.5
241.05011	1.2
243.02980	0.4
249.03915	0.3
255.02974	39.8
256.03595	6.5
257.04510	4.2
258.04919	0.4
267.02921	0.5
283.02475	7.3
284.03253	54.3
285.04019	66.6
286.04352	5.5
300.99890	1.2
301.03412	0.7
306.07654	0.4
307.08282	2.0
447.09247	1.6
489.28943	0.5
515.30444	0.6
533.30646	0.5
545.16888	0.5
593.13019	100.0
594.13342	20.4
594.23090	0.5
653.46881	0.3
692.22882	1.3
695.36792	1.3
755.18713	1.3
755.31567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01388	2.7
60.99310	0.8
61.98831	96.3
62.98527	0.7
63.02390	2.5
63.84736	0.3
63.99256	0.8
65.00320	4.6
67.01901	0.3
67.62443	0.3
69.48494	0.3
71.01384	3.0
72.99323	0.5
73.02962	0.8
73.57507	0.3
78.95923	0.9
78.98606	0.6
79.95735	2.6
80.96522	7.0
82.96107	0.4
83.01395	3.7
83.05045	0.3
83.75609	0.3
84.07733	0.3
85.02973	1.1
87.00900	0.6
88.98811	5.1
89.02452	0.9
91.01910	0.3
93.03470	1.5
94.98096	1.7
95.01420	0.5
96.96007	2.3
96.96947	0.5
97.02965	0.6
99.92617	0.5
101.02472	1.4
105.01937	2.3
106.98084	0.6
107.01405	10.4
108.02197	1.3
109.02969	3.3
113.02443	0.8
116.92875	2.0
117.03487	5.6
119.05041	7.0
120.05360	0.3
121.02972	7.7
123.00892	0.4
124.01678	0.6
125.02468	1.4
133.02980	1.0
134.97627	0.6
135.00935	0.9
135.04544	0.6
137.02458	0.3
143.05017	0.4
145.02983	15.7
146.03329	0.9
147.00896	0.5
147.04510	0.5
148.01692	1.5
148.99164	0.9
149.02461	1.4
151.00397	34.0
152.00786	1.0
152.98618	0.9
153.01886	0.4
159.04546	1.1
161.02496	2.3
161.04622	0.4
161.06058	0.5
163.00406	3.7
163.04024	4.6
164.01172	1.3
164.98663	1.5
165.01976	0.5
167.05040	0.5
169.01454	3.6
171.04535	0.6
173.06096	0.5
175.04037	0.8
177.01933	0.7
177.05696	0.4
178.99886	16.8
179.03467	0.6
180.00256	0.8
183.04562	0.9
185.06145	0.4
187.04015	2.0
188.04616	0.4
189.05540	0.5
190.99820	0.8
191.03462	0.4
192.00580	0.8
193.01399	1.0
199.04010	2.9
199.09933	0.3
200.04761	0.4
201.01973	0.9
201.05569	1.2
202.02589	0.4
203.03432	0.5
205.04910	0.4
206.99744	0.5
209.11864	1.6
211.04004	2.2
212.04721	0.4
213.01965	0.4
213.05554	0.3
214.02812	0.5
215.03496	1.1
216.04227	0.8
225.00716	2.6
226.02702	1.2
227.03500	4.3
227.12904	0.7
228.04128	0.6
229.05006	2.0
231.02983	0.4
239.03484	0.9
243.02991	9.6
244.03447	1.2
245.04520	1.8
254.02171	2.1
255.02977	22.2
256.03427	2.4
257.04474	1.0
267.02899	0.3
271.02466	49.9
272.02875	5.0
273.04025	2.3
283.02570	1.8
283.05353	0.4
284.03317	1.6
285.04031	4.1
286.04175	0.4
291.08643	0.6
299.01965	10.5
300.02753	65.0
301.03516	100.0
302.03879	8.9
307.08243	0.5
311.02127	0.5
313.03433	0.4
323.07657	0.4
327.21790	1.0
341.02789	1.7
353.02798	0.4
445.07681	1.2
447.07175	0.7
453.11792	2.6
454.12302	0.6
463.08887	3.0
487.30969	0.4
533.33624	0.3
578.57617	0.3
591.11456	5.3
592.12006	1.2
593.13403	1.6
594.14111	0.4
609.12610	25.7
610.13062	5.6
695.40546	0.4
737.30457	2.3
755.16370	28.5
755.31677	6.7
756.16614	7.9
756.32605	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
60.99319	0.6
61.98833	100.0
62.98529	0.8
63.02407	1.1
63.99263	0.7
65.00327	2.4
69.03451	0.4
71.01385	1.6
71.33253	0.6
72.68478	0.2
72.99330	0.3
73.02963	0.4
78.91890	0.4
78.95921	0.6
78.98615	0.4
79.95735	1.1
80.91696	0.9
80.96529	4.6
81.03457	0.3
83.01396	1.7
83.05023	0.2
85.02975	0.9
87.00903	0.4
88.98813	2.9
89.02460	0.5
91.01910	0.2
93.03493	0.8
94.98103	1.0
95.01376	0.3
96.96024	1.3
97.02976	0.2
101.02471	0.8
105.01968	0.3
106.98047	0.2
107.01406	5.1
108.02197	0.7
109.02966	1.6
112.60735	0.2
113.02463	0.7
116.92891	1.3
117.03486	3.0
119.01343	0.3
119.05032	2.7
121.02974	3.4
123.04499	0.3
125.02468	1.4
133.02974	0.5
135.00854	0.5
137.02452	0.5
139.04007	0.3
145.02971	9.4
146.03331	0.3
148.01709	0.5
148.99196	0.5
149.02458	0.6
151.00392	16.9
152.00752	0.4
152.98647	0.3
159.04512	0.7
161.02464	0.6
161.05992	0.3
163.00429	1.9
163.04042	2.2
164.01180	0.6
164.98650	0.7
168.00652	0.4
169.01459	2.0
171.04523	0.3
171.10327	0.4
175.04013	0.4
177.05492	0.2
178.99886	8.3
179.01476	0.4
180.00189	0.5
180.04611	0.2
183.04604	0.4
183.13907	0.6
185.06078	0.2
187.04045	0.9
190.99951	0.4
192.00699	0.3
193.01434	0.6
197.11943	0.2
198.03163	0.3
199.03981	1.8
201.01970	0.3
201.05568	0.6
203.03537	0.3
206.99701	0.4
209.11836	0.8
211.02310	0.4
211.04042	0.8
213.02182	0.2
215.03517	0.8
215.12912	0.6
225.00752	1.3
225.11259	0.2
226.02753	0.7
227.03537	2.0
227.12863	0.5
228.04019	0.3
229.05008	1.4
239.03470	0.3
242.02158	0.3
243.02972	4.9
244.03392	0.6
245.04564	0.9
248.06531	0.2
254.02304	0.9
255.02968	10.9
256.03513	0.9
257.04526	0.4
271.02448	27.2
272.02856	2.4
273.03925	1.6
283.02515	0.7
284.03204	0.6
285.04120	1.7
291.08762	0.3
299.01981	5.6
299.04666	0.2
300.02756	34.8
301.03519	53.9
302.03864	4.2
307.08063	0.4
327.22037	0.3
361.29214	0.3
391.47260	0.2
392.39233	0.3
415.18713	2.9
415.68823	1.5
416.18829	0.3
445.07623	1.0
453.11938	1.5
463.09073	1.7
471.31305	0.4
505.33881	1.8
515.30151	0.3
517.31671	0.5
517.81232	0.3
523.34735	0.5
565.36176	0.8
591.11316	3.3
592.11737	0.6
593.13281	0.6
609.12610	14.5
610.13086	2.5
655.30280	0.2
665.28741	1.1
737.30438	1.4
754.33173	0.3
755.16473	13.9
755.32141	3.5
756.17047	3.4
756.30853	0.3
756.37317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1645
Annotation	quercetin 3-O-(3',6"-O-di-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
58.55468	0.3
59.01375	2.5
60.99312	0.6
61.98829	86.3
62.86618	0.3
62.98537	0.4
63.02402	3.2
63.99263	0.8
65.00317	4.9
69.35082	3.3
71.01385	2.5
72.99312	0.5
73.02983	0.4
74.15075	0.3
78.95943	0.4
78.98617	0.5
79.95751	1.8
80.91702	1.6
80.96527	4.7
81.06429	0.3
83.01385	3.3
83.05025	0.3
85.02975	0.8
87.00916	0.5
88.98824	3.3
89.02469	0.7
91.01904	0.6
93.03460	1.6
94.98090	1.0
95.01410	0.6
96.03544	0.3
96.96029	1.9
98.20662	0.7
99.04514	0.3
101.02470	0.9
106.98127	0.3
107.01402	10.3
107.02119	0.6
108.02215	1.6
109.02960	3.1
111.00874	0.3
113.02484	0.6
116.92902	0.9
117.03481	6.0
117.04268	0.5
118.03847	0.5
119.01411	0.6
119.05052	4.6
121.02961	8.7
123.00924	0.4
124.01676	0.4
125.02435	1.4
133.02930	0.7
135.00894	1.0
135.04541	0.6
137.02406	0.4
139.04044	0.5
143.05061	0.5
145.02969	17.2
146.03328	1.0
147.00941	0.4
148.01715	1.5
148.99144	0.7
149.02484	1.2
151.00386	35.5
152.00739	1.6
152.98605	0.6
153.01978	0.4
157.06602	0.4
159.04507	1.4
161.02457	2.6
161.04565	0.3
161.06018	0.3
163.00365	3.8
163.04010	3.4
164.01175	1.1
164.98666	1.1
165.01947	0.7
167.05009	0.4
169.01474	3.7
169.02895	0.3
171.04552	1.0
171.10254	0.4
173.02415	0.4
173.06067	0.6
175.04030	0.8
175.49983	0.3
178.99875	16.5
179.03474	0.5
180.00264	0.5
183.04559	1.2
183.13858	0.5
187.03952	2.0
190.99950	0.7
192.00623	0.8
193.01378	0.8
198.03220	0.5
199.04016	2.9
200.04358	0.4
201.01918	0.6
201.05582	0.7
203.03548	0.9
209.11844	2.6
211.04024	1.7
213.01947	0.4
215.03505	1.5
216.04300	0.4
225.00690	2.0
226.02704	1.1
227.03520	3.9
227.12950	0.4
228.03955	0.3
229.01501	0.4
229.04961	2.0
230.05214	0.3
231.10199	0.4
239.03508	0.6
243.02974	8.9
244.03467	1.0
245.04448	1.6
253.09332	0.4
254.02173	2.0
255.02968	22.5
256.03424	1.5
257.04532	1.1
266.02075	0.4
271.02460	49.1
272.02875	5.7
273.03989	2.3
283.02405	1.8
284.03290	1.7
285.04059	6.9
286.04343	0.5
291.08664	0.7
298.98575	0.6
299.01971	10.7
300.02747	64.1
301.03513	100.0
302.03867	8.2
307.08234	0.9
313.03525	1.4
314.04089	0.3
323.07813	0.3
327.21783	1.5
415.18814	0.3
445.07770	1.4
447.07269	4.8
448.07401	0.8
453.11771	3.0
454.12198	0.7
463.08926	4.2
464.08737	0.5
469.11340	1.3
540.20099	0.3
591.11316	5.5
592.11591	1.2
593.12854	1.2
609.12622	26.3
610.12933	5.6
658.16290	0.3
665.28101	0.3
692.36578	0.4
737.30792	1.3
754.45154	0.4
755.16400	24.0
755.31866	5.5
756.17145	6.8
756.32367	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	754.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08957	0.1
57.88811	0.1
59.01375	0.2
60.99306	0.1
61.98832	100.0
62.98531	0.2
62.99247	0.1
63.99252	0.1
65.30430	0.1
71.01394	0.2
71.25181	0.1
72.07408	0.1
73.02941	0.1
73.80248	0.1
78.95926	0.2
79.95756	0.2
80.96513	0.5
88.98814	0.6
89.02459	0.1
94.98122	0.1
96.96011	1.0
96.96989	0.1
99.92577	0.1
101.02448	0.1
116.92896	0.3
117.75784	0.1
125.02498	0.1
131.62680	0.1
147.81020	0.1
148.21838	0.1
169.01572	0.1
181.40910	0.1
209.11880	0.3
210.12283	0.1
225.00821	0.1
329.14270	0.1
330.14478	0.2
341.03186	0.1
341.14389	0.1
342.14523	0.1
546.89319	0.1
679.37030	0.4
680.37402	0.1
690.35175	0.1
754.31116	0.7
755.19226	0.1
755.31958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
57.03442	1.5
57.41204	0.5
58.00616	0.9
59.01377	14.7
60.76764	0.5
61.98829	9.8
64.27971	0.4
69.03470	2.8
70.87723	1.7
71.01385	12.2
71.05029	1.3
72.99299	1.2
73.02940	2.5
75.00882	3.1
80.02688	2.1
81.03453	3.4
83.01398	2.2
83.05031	7.3
84.02186	1.0
85.02956	3.5
87.00883	2.8
89.02449	6.9
93.03473	0.8
95.01367	1.1
95.05036	2.6
96.96022	1.5
97.02953	5.5
97.06615	3.9
99.00885	1.7
101.02457	8.1
106.04263	0.9
107.05067	1.0
109.03008	0.6
109.06609	19.9
110.03767	1.5
110.06909	0.5
111.00886	1.1
111.04546	0.7
111.08160	7.2
113.02477	5.6
119.03507	1.1
121.06595	1.6
123.04530	1.5
123.08183	0.9
125.06107	1.1
125.09745	3.2
131.03564	0.7
135.08174	3.3
136.05357	1.4
137.09775	1.3
142.02724	1.3
143.03526	0.6
145.05122	1.0
145.10229	0.6
151.07712	0.6
151.11293	2.6
153.09181	0.6
153.12857	1.3
161.04561	3.8
161.09753	2.7
163.11298	17.0
164.11632	0.7
165.09213	0.6
165.12868	5.0
167.10806	1.0
169.12344	5.1
171.10300	4.0
177.12845	0.6
179.05690	1.4
179.10815	4.4
181.12334	5.5
183.13919	1.7
185.11903	3.1
187.07561	0.5
189.09224	2.2
191.10834	1.6
191.14474	2.4
195.13936	2.3
197.11844	61.4
198.12209	3.1
199.13385	3.5
207.10278	62.9
208.10620	3.2
209.11842	100.0
210.12186	4.5
211.13412	8.3
217.15982	0.6
223.09772	1.1
223.13394	1.1
225.11334	38.7
226.11743	2.5
227.12892	16.4
228.13141	0.5
235.08224	6.8
237.11392	1.4
241.10913	1.1
243.12366	0.8
245.19101	5.2
247.20589	0.8
253.09283	29.5
254.09592	1.0
263.20102	5.6
264.20395	0.5
265.18091	0.7
271.17090	0.7
273.18646	0.8
275.17163	0.5
275.20145	1.0
279.19598	0.7
289.18082	23.5
290.18427	2.2
291.19653	13.5
292.19962	1.5
293.21219	5.3
294.21500	0.8
307.19144	30.1
308.19388	2.8
309.20715	45.4
310.21063	3.7
401.23236	0.6
443.19366	3.7
444.19797	0.7
445.21030	3.3
446.21976	0.6
461.20294	8.5
462.20428	0.9
470.32880	0.6
477.19809	0.7
499.30923	1.1
500.31253	0.9
517.31610	0.9
525.27039	0.8
543.27930	2.9
545.29791	1.0
637.32239	1.1
641.31543	0.6
655.33862	0.8
717.38812	1.0
735.39838	4.4
753.40955	68.3
754.41296	17.2
754.54846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32163	0.7
57.03446	2.2
57.80648	0.6
59.01381	16.3
61.98834	7.0
67.48853	0.7
68.99834	1.6
69.03449	1.6
69.64259	5.3
71.01389	12.8
71.05000	0.6
72.99307	1.6
73.02950	2.9
75.00886	3.9
81.03465	1.4
81.12307	0.6
82.87967	0.5
83.01418	1.7
83.05024	2.7
85.02950	3.9
87.00874	3.1
87.43756	0.6
89.02441	4.4
91.04028	0.7
93.03493	0.6
95.01376	0.8
95.05038	1.7
97.02969	2.2
97.06601	4.4
98.19844	0.7
99.00907	0.8
101.02460	8.0
107.05050	0.9
109.02978	1.2
109.06619	4.5
110.03760	0.9
111.00903	1.2
111.04535	5.0
111.08160	4.4
113.02467	4.2
119.03536	1.0
123.04551	1.6
125.02463	1.7
125.09718	2.9
135.08163	1.5
137.06148	0.7
137.09746	1.5
139.49904	0.6
141.01929	0.9
145.05075	0.9
149.09763	0.8
151.11340	4.1
153.09230	1.4
155.10765	0.7
161.04555	2.5
161.09734	3.1
163.11310	3.4
165.12859	11.2
167.10909	0.7
169.12389	1.5
171.10287	15.7
172.10565	0.8
177.09206	2.4
177.12866	0.7
179.05634	1.0
179.10770	5.7
181.12360	5.2
183.13916	100.0
184.14270	6.0
185.11906	1.0
189.09261	0.8
191.10829	2.2
191.14444	1.1
195.10255	1.0
195.13866	2.9
197.11832	6.8
205.08746	5.7
205.12398	0.8
207.10286	9.8
208.10538	0.9
209.11850	13.9
211.13423	5.0
213.11363	2.0
223.09756	15.6
223.13165	3.4
224.10219	1.1
225.11365	6.7
226.11638	1.1
227.12898	11.4
235.08281	5.9
245.19101	2.2
249.03732	0.7
253.09271	14.5
253.11751	1.2
254.09625	1.0
263.20142	3.1
265.14896	1.0
275.20184	2.4
289.18118	5.5
291.19662	6.5
293.21228	34.6
294.21579	2.7
307.19113	9.5
309.20718	15.2
310.21078	1.4
327.21744	4.3
363.95038	0.6
401.23062	1.6
407.18976	0.7
419.24411	1.4
441.17542	1.6
443.19135	0.6
445.20853	5.5
459.18747	1.6
461.20251	1.3
463.21646	5.5
481.29178	0.8
499.30228	1.0
543.28143	1.6
637.32538	5.8
638.33002	1.4
655.33417	6.2
656.34503	0.8
709.40674	0.9
735.39600	6.0
736.40161	1.7
753.40955	67.8
754.41248	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	753.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.6
56.98831	0.2
57.03447	1.5
58.00321	0.3
58.00602	0.7
59.01379	11.2
61.98825	3.4
63.56721	0.2
69.03467	1.1
71.01382	7.6
71.04733	0.8
71.05059	0.5
72.99312	0.3
73.02946	1.6
75.00867	0.4
80.02679	1.9
81.01279	0.3
81.03458	3.2
83.01389	1.6
83.05032	6.6
84.02169	1.0
85.02950	2.4
85.58431	0.3
87.00888	1.6
89.02452	4.5
93.03475	0.6
95.01406	0.8
95.05048	2.1
97.02964	5.8
97.06596	3.0
99.00906	1.4
101.02452	8.1
106.04295	0.5
107.05042	0.7
109.02966	0.4
109.06605	17.8
110.03754	1.1
110.06967	0.6
111.00898	0.4
111.04556	0.5
111.08179	3.8
113.02456	3.8
113.06061	0.4
119.03519	1.6
119.08666	0.5
121.06622	1.5
123.04537	2.1
123.08176	1.1
125.02470	0.6
125.06102	1.0
125.09741	4.4
127.07670	0.6
127.78214	0.2
131.03539	0.4
133.05113	0.5
133.06664	0.4
135.08182	2.9
136.05327	0.9
137.06044	0.4
137.09732	1.8
141.01939	0.3
141.09232	0.4
141.12868	0.6
142.02747	1.2
143.03520	0.5
145.05066	0.8
145.10268	0.4
147.08218	0.3
147.11841	0.4
149.09723	0.6
151.11310	0.6
153.12904	0.4
161.04536	2.3
161.09744	1.4
163.07661	0.6
163.11299	16.2
164.11603	1.5
165.09212	0.8
165.12856	4.5
167.10832	0.5
169.12360	1.5
171.10277	3.1
175.11197	0.5
177.12921	0.5
179.05614	0.6
179.10732	1.3
179.14308	0.3
181.12357	3.3
182.12762	0.3
183.13844	0.5
185.11844	4.4
187.09660	0.4
189.09229	1.8
189.12843	0.3
191.10750	1.6
191.14442	4.6
193.12236	0.6
193.86505	0.3
197.11855	15.0
198.12215	0.9
199.13342	1.3
207.10278	48.5
208.10645	2.8
209.11841	100.0
210.12180	7.9
211.13416	3.7
217.15892	0.5
221.11742	0.3
223.13483	0.4
225.11327	20.6
226.11661	1.1
227.12894	12.4
227.17996	0.4
228.13228	0.7
231.40729	0.3
235.08203	4.7
237.11360	2.1
243.12248	0.4
245.19102	7.5
246.19392	0.8
247.20674	1.2
249.14977	0.4
253.09271	20.9
254.09612	1.3
263.20172	2.9
264.20456	0.4
265.17975	0.5
271.16968	1.4
273.18582	0.4
281.13947	0.4
281.21136	0.4
289.18076	36.1
290.18433	3.9
291.19644	11.8
291.22937	0.6
292.19910	1.2
293.20560	0.3
299.14966	0.6
307.19141	31.6
308.19461	3.1
309.20709	31.6
309.24600	0.3
310.21066	3.4
325.20129	0.3
327.19742	0.6
331.19135	0.5
343.76672	0.3
345.20630	0.5
347.22238	0.4
387.21649	0.3
401.23303	0.9
419.24222	0.7
443.19247	2.3
444.19315	0.4
445.20627	0.8
447.22589	0.3
461.14044	0.5
461.20227	5.3
462.20547	1.0
473.33395	0.3
499.30707	1.4
517.31525	0.6
525.26678	0.9
527.28656	0.4
543.28094	0.9
545.29388	0.8
637.32446	1.3
655.33362	0.4
717.39087	0.5
735.39893	2.3
736.39758	0.6
753.40863	19.2
754.41211	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	753.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.2
57.03452	2.5
58.00580	0.5
59.01377	10.8
61.98827	5.5
67.01887	0.6
68.99822	1.0
69.03465	2.3
69.38400	0.4
71.01386	13.2
71.73621	0.8
71.73963	0.8
72.99323	1.4
73.02954	2.2
80.02722	0.6
81.03473	1.9
83.01399	3.5
83.05027	4.0
84.33429	0.6
85.02962	4.4
85.33147	0.5
87.00892	3.5
89.02452	6.0
95.01410	1.5
95.05038	1.6
97.02966	3.2
97.06584	4.2
99.00895	1.3
101.02462	8.2
107.05084	1.0
109.02966	1.0
109.06617	3.8
110.03707	1.3
111.00909	1.1
111.04548	3.9
111.08175	2.5
113.02457	5.0
119.03507	1.3
121.06584	1.1
123.04542	2.7
123.08170	1.6
125.02483	1.2
125.06129	0.7
125.09750	6.9
135.08183	1.7
137.06073	0.6
137.09773	2.5
142.02802	0.7
143.03525	0.8
145.05087	1.6
147.11906	0.6
147.41438	0.5
149.06085	0.6
151.11288	1.9
153.09169	0.7
161.04594	3.8
161.09709	2.1
163.11328	6.7
165.12854	13.4
166.13255	0.6
167.10838	1.2
169.12347	0.6
171.10292	15.4
172.10599	0.9
172.21143	0.5
177.09221	1.3
179.05655	1.1
179.10782	3.5
181.12300	2.5
181.80255	0.5
183.13911	100.0
184.14273	4.5
185.11861	7.0
189.09233	0.7
191.10776	1.2
191.14456	3.5
195.10208	0.6
195.13893	2.1
197.11798	3.4
199.09804	0.7
199.13373	1.4
201.11244	0.6
205.08649	4.1
205.12444	0.5
205.16040	0.7
207.10268	10.1
208.10622	2.2
209.11842	35.9
210.12169	2.3
211.13408	4.8
213.11334	1.4
215.12875	0.5
217.15945	0.6
221.11867	0.9
223.09769	13.2
223.13344	1.3
225.11366	8.6
226.11604	1.2
227.12866	14.6
228.13104	0.6
235.08224	5.2
237.11333	0.8
241.10883	1.2
245.19107	7.3
246.19579	0.8
247.13358	0.8
251.12860	1.2
253.09294	12.6
263.20071	2.0
271.17166	0.9
275.20245	2.0
279.19727	0.7
289.18088	18.3
289.21362	1.1
290.18332	1.3
291.19629	4.0
293.21225	13.3
294.21463	1.0
300.27856	0.6
305.17712	0.7
307.19150	15.3
308.19400	1.8
309.20688	3.1
311.21759	0.6
325.20035	0.8
327.21628	0.6
407.19153	0.9
441.17914	1.3
445.20700	8.1
459.18597	2.1
461.20197	1.5
463.21896	4.3
473.32751	0.7
499.30435	0.8
543.27631	1.0
637.32642	2.7
638.32324	0.6
655.33496	7.6
656.33698	1.5
692.74329	0.6
717.39044	0.8
735.39691	5.3
736.40485	1.7
753.40961	84.7
754.41296	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	753.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33416	0.1
56.28144	0.1
57.03436	0.2
59.01377	1.8
60.99309	0.3
61.98830	100.0
62.98533	0.4
63.96238	0.5
63.99255	0.2
66.99861	0.1
69.03466	0.3
69.35587	0.7
69.36016	0.7
71.01386	3.7
72.99303	0.3
73.02955	0.9
75.00857	0.4
78.91908	0.2
78.95886	0.3
78.98595	1.9
79.95742	31.0
80.96522	25.4
81.03462	0.3
83.01394	0.5
83.05020	0.2
85.02950	1.5
85.06590	0.5
87.00889	1.0
88.98811	1.3
89.02441	0.6
89.66612	0.1
93.03490	0.1
93.97306	0.2
94.98094	5.9
95.01381	0.3
96.96014	1.9
97.02970	0.6
99.00879	0.3
99.92610	1.2
101.02446	1.4
103.12025	0.2
106.98092	1.1
111.94744	0.3
113.02469	0.9
113.06117	0.1
115.03983	0.2
116.92875	13.2
117.92880	0.9
119.03536	0.2
119.05019	0.3
122.97591	2.2
123.00896	0.2
125.02466	1.5
127.04017	0.4
129.45490	0.1
131.03467	0.2
134.97610	1.8
136.99173	1.0
137.82690	0.1
143.03456	0.2
143.10753	0.2
146.97537	0.1
148.99153	2.3
150.03188	0.2
151.00352	0.1
152.98637	2.1
153.02019	0.2
161.04590	1.0
163.11287	0.2
164.98648	4.3
169.01414	0.5
179.00220	0.4
181.05092	0.2
182.99731	0.1
188.98691	0.3
189.07674	0.3
196.07088	0.1
197.11800	0.3
198.39389	0.1
203.48180	0.1
206.99693	3.0
209.11841	1.8
210.12189	0.2
224.00098	0.2
225.00749	10.2
225.11314	0.1
226.00989	0.5
227.12831	0.4
241.00232	1.3
243.01657	0.1
243.50339	0.1
267.10831	0.2
281.03210	0.2
283.04846	0.9
285.03934	0.2
311.09320	0.2
341.05515	2.2
341.13922	0.2
355.06943	0.6
397.11569	0.3
411.13016	0.3
425.14923	2.3
427.09039	0.2
483.15436	0.6
497.82202	0.2
503.31784	0.2
507.15112	0.4
509.16867	2.1
510.17032	0.4
511.18442	0.2
516.15082	0.3
525.16467	0.5
539.17584	0.2
550.17139	0.2
551.17914	0.3
567.24481	0.5
568.18054	0.5
581.18726	0.7
595.20435	0.5
609.22058	1.4
610.23065	0.3
621.04840	0.2
623.25256	0.5
637.26050	0.2
651.27118	1.7
652.27594	0.8
669.27594	0.2
691.30817	0.2
693.33551	0.3
707.29620	0.4
712.74408	0.2
735.29144	10.0
736.29364	2.8
753.30225	15.5
754.30444	3.9
777.53333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48945	0.1
59.01376	0.1
60.99304	0.1
61.98830	100.0
62.98536	0.1
63.99264	0.1
65.95141	0.1
71.01393	0.3
71.05272	0.2
71.05608	0.1
78.98625	0.1
79.95731	0.2
80.96534	0.8
85.02976	0.1
87.00933	0.1
88.98815	1.1
89.02412	0.1
94.98120	0.1
96.96027	0.2
101.02444	0.1
148.99190	0.1
164.98679	0.1
183.13963	0.1
197.11732	0.1
209.11832	0.5
210.12270	0.2
211.13457	0.2
212.13881	0.1
212.96338	0.1
225.00821	0.2
227.12959	0.1
418.26270	0.1
428.48190	0.1
460.75400	0.1
493.48135	0.1
561.34869	0.1
752.38977	0.3
753.33722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
60.99306	0.2
61.98832	100.0
62.98532	0.1
71.01393	0.5
73.02946	0.1
78.91924	0.1
78.95910	0.1
78.98610	0.2
79.95757	0.2
80.96528	1.7
80.96992	0.1
83.05055	0.1
85.02981	0.2
87.00892	0.2
88.00411	0.1
88.98811	1.1
89.02454	0.1
93.03467	0.1
94.98112	0.4
96.96025	0.1
97.06610	0.1
98.20666	0.1
101.02493	0.2
106.98109	0.1
109.06628	0.1
117.07176	0.1
117.79548	0.1
119.08747	0.2
121.06678	0.1
125.02523	0.1
125.09746	0.1
134.97595	0.1
135.08180	0.5
148.99142	0.1
152.98662	0.1
163.11308	0.2
164.98650	0.3
165.48741	0.1
171.10303	0.9
183.13971	0.1
185.11848	0.1
197.11897	0.2
206.99760	0.1
207.10313	0.2
209.11848	2.6
210.12251	0.2
211.13498	0.7
212.13837	0.2
213.14011	0.1
225.00781	0.6
225.11374	0.4
227.12889	0.4
235.08359	0.1
235.13515	0.1
253.09334	0.4
285.04047	0.1
289.18124	0.5
291.19620	0.1
307.19214	0.4
307.22324	0.1
309.20792	0.1
374.63776	0.1
381.73019	0.1
447.22638	0.1
501.32004	0.2
525.27673	0.1
645.32208	0.1
717.38849	0.1
735.40143	0.2
752.41248	0.1
753.33759	2.2
768.72662	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	751.488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
55.68630	0.2
55.85631	0.2
57.03447	0.3
58.00594	0.2
59.01384	3.4
61.98834	6.3
67.48667	0.2
71.01385	3.1
71.05026	0.5
71.70123	0.3
72.99303	0.3
73.02961	0.6
78.33798	0.2
79.72163	0.2
80.02683	1.5
81.03023	0.2
81.03460	1.5
82.37466	0.2
83.01409	1.0
83.05035	5.8
84.02172	2.2
84.05377	0.3
84.54362	0.2
85.02967	1.2
85.43284	0.1
87.00895	0.5
87.11867	0.2
88.98813	0.5
89.02442	1.3
93.03474	0.4
95.01424	0.4
95.05033	1.1
96.96026	0.5
97.06606	0.3
97.86667	0.2
99.00906	0.4
101.02468	2.2
105.10199	0.2
108.02222	0.2
109.02968	0.4
109.06629	0.3
111.00911	0.2
111.08141	0.2
113.02443	1.1
116.92890	0.6
119.03517	0.3
121.03026	0.4
122.03741	0.5
123.00928	0.3
125.02480	1.0
125.06088	0.7
133.03038	0.2
134.03709	0.2
135.04559	0.5
135.08179	0.8
137.02454	0.6
146.03755	0.7
147.04457	0.2
149.02466	0.4
149.06119	0.5
150.03294	1.2
151.04076	0.4
160.05347	0.2
161.02408	0.4
161.04610	0.5
161.06100	0.3
161.96953	0.2
163.03993	0.3
163.06119	0.3
163.11328	4.7
164.04784	0.6
164.11644	0.5
165.01964	0.3
165.05537	1.5
165.12846	3.1
166.06255	0.2
167.03580	0.2
167.07224	0.3
169.01418	1.2
174.01709	0.2
175.04066	0.3
177.01936	0.3
177.05579	0.2
179.05687	0.3
179.07141	1.5
180.04317	0.3
180.07494	0.6
181.12375	0.7
189.05550	0.3
191.10814	1.6
195.06673	1.1
199.13432	0.2
205.73045	0.2
209.11844	100.0
210.12181	8.0
211.12277	0.4
217.05017	0.2
227.12897	46.9
228.13251	4.2
229.13956	0.2
275.02057	0.2
292.62271	0.2
297.11591	0.3
300.99915	0.5
311.09109	0.2
327.12469	0.3
329.14035	0.3
331.11450	0.2
339.07166	0.4
345.13739	0.3
361.29388	1.1
404.38977	0.2
522.33856	0.3
523.34796	18.0
524.35114	3.3
555.22137	0.4
569.61456	0.2
688.31775	0.3
689.33606	0.2
703.26929	0.3
751.27203	0.6
752.23761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
60.99316	0.2
61.98833	100.0
62.98550	0.2
62.98860	0.0
63.99266	0.1
69.57417	0.4
71.01397	0.1
78.91912	0.0
79.95754	0.2
80.96526	0.4
84.98472	0.0
87.19389	0.0
88.98823	0.9
89.02476	0.1
94.98134	0.1
96.96051	0.1
101.02473	0.1
109.06595	0.1
116.92896	0.1
125.02493	0.1
152.98654	0.1
164.98665	0.1
169.01439	0.1
178.44452	0.0
197.11911	0.1
207.10339	0.1
209.11847	0.5
210.12297	0.1
225.00766	0.1
225.11517	0.0
227.13017	0.1
227.16217	0.1
229.93925	0.0
301.31693	0.0
404.03513	0.0
447.02042	0.0
556.11639	0.0
735.29181	0.1
752.33362	0.1
753.32092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.6
59.01376	8.1
60.99321	0.8
61.98829	100.0
69.03444	1.0
69.57911	3.6
71.01385	7.3
72.99297	1.2
73.02948	2.2
75.00843	0.5
76.28389	0.4
79.95740	0.9
80.02695	1.3
80.96516	4.3
81.03470	1.8
83.01403	1.3
83.05027	6.0
84.02189	1.5
85.02962	1.9
85.91843	0.5
87.00877	1.9
88.98814	5.2
89.02442	5.2
93.03493	0.6
94.98103	0.6
95.01387	0.7
95.05053	1.3
96.96023	1.6
97.02983	0.8
97.06599	0.6
99.00893	0.9
101.02454	5.5
109.06618	0.5
113.02468	3.0
116.92860	1.5
119.03510	1.4
121.02872	0.6
123.00901	0.7
123.04562	0.6
125.02483	1.8
125.06098	1.1
125.09760	0.8
132.23199	0.5
135.00905	0.5
135.08195	1.0
137.02507	0.6
139.00478	0.5
151.11314	2.1
153.12878	2.1
161.04601	2.5
163.11282	5.0
165.05591	0.7
165.12869	2.6
169.01497	0.7
169.12354	34.3
170.12718	2.5
179.05626	0.7
179.10765	1.0
181.12369	1.5
195.06499	0.5
197.11830	64.1
198.12173	4.3
199.09871	0.6
199.13397	0.7
201.11375	2.2
207.10204	1.1
209.11832	94.8
210.12161	8.1
225.00797	1.7
225.11340	0.8
227.12898	9.0
228.13139	0.7
235.08206	1.0
237.41475	0.5
241.10834	0.7
253.09250	6.7
396.27826	0.5
445.20767	1.1
488.35068	1.0
687.32513	19.8
688.33069	4.6
689.34216	4.3
719.24829	0.6
719.35101	43.6
720.35492	10.4
751.38269	56.2
752.38464	16.4
762.56195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42137	0.4
57.03448	1.0
59.01387	4.8
60.99319	0.9
61.98832	100.0
63.96252	0.8
69.03483	1.0
71.01388	10.1
71.24893	1.1
72.99313	0.9
73.02962	1.9
75.00896	1.0
78.98595	3.7
79.95744	9.0
80.96524	50.4
81.03475	1.4
83.01393	1.1
83.05042	2.3
84.02191	0.7
85.02959	3.2
87.00892	3.3
87.04540	0.6
88.98823	8.5
89.02462	1.7
94.98100	11.8
95.01400	0.9
96.96011	2.6
97.03002	1.4
99.00897	1.4
101.02451	5.0
106.98112	1.8
109.02911	0.6
113.02453	1.7
116.92876	3.5
122.97602	3.3
123.00873	0.7
125.02473	4.7
125.06059	0.7
125.09749	0.7
127.04046	0.7
133.58502	0.5
134.97615	4.9
135.04565	0.7
135.08191	0.7
136.99161	1.3
137.02405	0.8
148.98334	0.4
148.99173	4.8
150.03198	1.2
151.11264	0.5
152.98653	4.8
158.80133	0.4
161.04536	1.0
163.03983	0.8
163.11288	2.2
164.98653	11.1
165.05510	0.6
165.12817	1.2
166.00456	0.5
167.07103	1.7
168.00801	0.5
169.01411	1.7
169.12349	7.7
171.10254	0.8
179.10739	1.7
181.12227	0.5
183.13887	1.4
195.06711	1.1
197.11836	17.8
198.12149	0.9
201.11295	3.4
206.99654	2.7
207.10258	0.6
209.11835	33.0
210.12112	1.8
225.00752	21.0
226.01044	1.1
227.12923	3.4
241.10696	1.1
244.61578	0.5
253.09361	2.4
301.16687	1.1
343.11874	0.6
421.87323	0.5
487.34348	4.7
488.34555	6.5
489.34943	0.8
509.16278	1.4
523.14508	0.7
617.28088	0.6
661.36407	2.2
687.32538	4.7
688.33289	0.8
719.35187	10.0
720.35187	1.9
751.28119	63.2
752.28424	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	750.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98835	100.0
66.71913	0.1
71.01402	0.5
71.71923	0.2
78.95928	0.3
80.96526	0.2
83.05041	0.3
84.41924	0.1
88.98855	0.2
97.06658	0.2
99.41457	0.1
101.02464	0.2
105.97354	0.1
107.01365	0.1
107.19299	0.1
109.06630	0.3
113.02377	0.1
117.03503	0.3
117.07135	0.2
125.09772	0.3
128.93092	0.1
135.08199	0.2
137.15073	0.1
145.03003	0.9
163.11340	0.1
166.02603	0.1
171.10320	0.2
185.11934	0.2
197.11893	0.2
207.10374	0.4
209.11865	2.0
210.12230	0.1
211.07741	0.2
211.13322	0.9
212.13832	0.2
225.11261	0.6
227.03539	0.4
227.12962	0.4
228.03984	0.1
229.05084	0.3
235.08229	0.2
249.82433	0.1
253.09332	0.4
255.03049	1.0
256.03601	0.2
283.02618	0.3
284.03192	1.1
285.04047	3.2
286.04456	0.4
287.16687	0.5
305.17664	0.4
311.22311	0.2
330.02258	0.1
352.27084	0.1
421.52692	0.1
586.06549	0.1
677.15973	0.2
689.07819	0.1
733.38391	0.4
750.44110	0.3
751.39728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
58.04844	0.3
59.01380	0.9
63.96237	1.3
65.94383	0.3
69.03462	1.1
71.01385	8.5
72.99316	0.6
73.02946	1.9
73.59166	0.3
77.99776	0.3
78.98598	7.8
79.95744	13.7
80.96524	85.4
81.03448	0.5
83.01394	0.3
85.02958	3.5
87.00887	3.7
94.98098	20.0
95.01380	0.3
96.96025	1.4
97.02975	1.5
99.00890	0.6
99.04543	0.5
101.02464	2.8
106.98100	4.0
113.02454	0.6
122.97600	5.1
125.02471	3.2
127.04068	0.8
134.97585	5.6
136.99150	1.1
146.97589	0.5
148.99162	7.2
152.98654	6.7
164.98650	15.0
165.99055	0.4
167.00156	0.4
182.99818	0.3
183.13989	0.4
188.98615	0.4
206.99695	3.2
211.13405	2.2
225.00743	24.0
226.01057	0.9
255.23265	1.8
283.04947	0.6
304.94885	0.3
444.62766	0.3
493.17490	3.4
494.17511	0.3
537.27228	1.3
538.28027	0.4
749.41821	100.0
750.42126	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	750.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98829	100.0
62.98529	0.3
62.99270	0.1
63.99254	0.4
69.03444	0.1
69.54676	0.2
69.55096	0.4
71.01382	0.7
72.99322	0.1
73.02946	0.1
75.00886	0.1
80.96530	0.2
83.05019	0.1
85.02975	0.2
87.00919	0.1
88.98827	0.2
89.02428	0.5
95.01443	0.1
96.96033	0.2
98.19839	0.1
101.02463	0.5
105.01942	0.1
113.02484	0.2
116.92854	0.1
119.03510	0.1
125.02462	0.2
161.04466	0.1
163.11174	0.1
168.06400	0.1
171.10300	0.1
179.05603	0.1
183.14012	0.1
195.13968	0.2
197.11835	0.1
207.10263	0.2
209.11836	1.2
210.12138	0.4
211.13452	0.7
212.13809	0.3
223.13475	0.2
225.11385	0.2
227.12924	0.2
228.13400	0.1
235.08231	0.2
253.09256	0.2
275.20203	0.1
286.04663	0.1
292.20309	0.1
293.21210	3.4
397.13480	0.9
415.14532	1.0
668.48041	0.1
691.36072	0.2
750.34692	0.1
751.32837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01381	0.5
61.98821	0.7
63.91154	0.2
63.96241	1.3
65.18598	0.2
69.03455	0.7
69.99524	0.2
70.00938	1.3
71.01388	7.1
73.02959	1.4
78.98599	6.0
79.95743	10.9
80.96526	66.3
81.03477	1.0
81.96482	0.3
82.10244	0.3
83.01409	0.4
85.02964	2.2
87.00884	2.6
94.98097	15.0
95.01366	0.4
96.96026	1.1
97.02956	1.4
99.00887	0.6
99.04524	0.3
101.02464	2.1
106.98105	2.8
113.02482	0.4
122.97610	3.3
125.02459	3.1
127.04014	0.9
134.97600	4.5
136.99167	2.0
146.97607	0.5
148.99168	6.2
152.98668	6.8
164.98653	10.4
165.99007	0.2
167.00226	0.5
179.00128	0.3
188.98625	0.4
194.41028	0.2
206.99684	2.9
211.13446	1.5
225.00751	18.6
226.01064	0.9
255.23302	1.6
267.08591	0.2
283.04849	0.3
348.96390	0.2
493.17535	2.7
494.17642	0.3
537.27325	1.4
538.27917	0.3
585.89752	0.3
749.41815	100.0
750.42120	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19150	0.1
57.36921	0.1
58.00590	0.5
59.01381	6.7
61.98832	1.4
69.59110	0.7
69.59521	0.2
71.01389	1.8
72.99316	0.4
73.02954	0.9
83.01418	0.2
85.02963	1.2
87.00893	1.6
89.02449	1.2
93.03487	0.3
95.05046	0.1
96.96011	0.1
97.06614	0.1
99.00921	0.1
99.04518	0.1
101.02462	1.2
103.04041	0.7
107.05040	0.3
109.02956	0.4
109.06651	0.1
116.92912	0.2
117.81783	0.1
118.93346	0.1
119.03514	0.3
119.05044	0.3
121.02941	0.2
121.06614	0.4
122.03751	0.3
125.02443	0.4
127.04040	0.1
135.04529	0.4
136.01682	0.5
137.02455	2.1
138.03255	5.5
139.03624	0.2
140.01077	0.2
145.02922	0.1
145.05083	0.2
147.04561	0.9
149.02499	0.7
150.02129	0.2
150.03255	2.3
151.04027	13.2
152.04353	0.6
153.02005	0.1
163.04022	0.3
164.04811	5.0
165.05588	3.9
166.06018	0.2
170.02260	0.8
179.03458	0.2
179.07147	0.3
180.04295	0.5
181.05054	0.1
182.05853	4.8
183.06635	8.1
184.07018	0.4
189.95819	0.1
191.07173	0.1
195.06630	1.1
197.08208	3.5
199.12785	0.1
207.06627	0.2
209.08171	0.1
209.11894	0.3
211.06126	8.4
212.06532	0.5
224.06882	0.4
225.07681	1.4
227.12885	0.2
240.04285	0.2
261.81738	0.1
298.08640	0.2
301.16345	0.2
311.11328	0.1
313.10849	0.2
328.11636	25.3
329.11963	2.4
342.13220	0.7
343.13980	100.0
344.14325	9.9
345.13382	0.2
357.13315	0.7
362.78238	0.1
373.12888	0.3
408.18106	0.1
505.19196	0.2
701.27228	0.1
749.30206	1.3
750.31085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47865	0.1
59.01380	0.4
60.99321	0.1
61.98832	100.0
62.98538	0.2
69.57718	0.4
69.58149	0.2
71.01391	0.3
72.99322	0.1
73.02940	0.1
75.00886	0.1
78.95914	0.1
83.05061	0.1
85.02988	0.1
87.00919	0.1
88.98801	0.4
90.60537	0.1
96.96027	0.1
98.19874	0.1
101.02484	0.2
103.00410	0.1
105.01966	0.3
107.05042	0.1
109.06607	0.1
113.02452	0.1
113.31231	0.1
163.11259	0.1
171.10284	0.2
174.36101	0.1
183.13811	0.1
185.11870	0.1
197.11958	0.1
207.10371	0.1
209.11844	1.6
209.13686	0.1
210.12227	0.3
211.13478	0.8
221.11816	0.1
223.09801	0.1
223.13390	0.1
225.11356	0.1
227.12947	0.2
237.42749	0.1
253.09410	0.2
287.89624	0.1
309.07672	0.1
374.77536	0.1
485.32489	0.1
633.98267	0.1
748.45728	0.1
749.33942	0.1
749.47034	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	749.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.5
59.01378	6.5
61.98834	4.3
62.07987	0.1
67.31177	0.1
69.03445	0.1
69.38110	1.6
71.01385	2.0
72.99322	0.4
73.02945	1.0
75.00853	0.1
79.70838	0.1
80.91678	0.1
83.01409	0.3
84.75188	0.1
85.02950	1.4
87.00892	1.3
89.02449	1.3
93.03461	0.2
94.97731	0.2
95.11501	0.1
96.96036	0.4
99.04525	0.1
101.02454	1.2
103.04041	0.4
107.05034	0.4
109.02969	0.4
109.06557	0.1
113.02440	0.2
116.92886	0.6
119.03521	0.3
119.05032	0.3
120.99670	0.1
121.02950	0.2
121.06573	0.3
122.03776	0.4
123.04630	0.2
124.01718	0.2
125.02475	0.9
127.04006	0.2
130.89748	0.2
135.04553	0.5
137.02437	2.0
138.03250	5.1
139.03630	0.2
140.01202	0.3
145.05078	0.2
147.04521	1.0
149.02472	0.5
150.03258	1.9
151.04027	12.1
152.04413	0.5
163.04048	0.2
164.04811	4.6
164.06154	0.3
165.01999	0.2
165.05586	3.9
166.05946	0.2
168.01385	0.2
169.01471	0.3
170.02219	0.7
171.10345	0.4
175.02409	0.1
179.03525	0.3
179.07130	0.5
180.04297	0.7
181.05077	0.3
182.05853	4.3
183.06635	8.2
184.07011	0.2
195.06639	0.9
197.08200	3.1
198.08522	0.2
201.11343	0.1
209.08304	0.1
209.11842	1.1
210.12135	0.2
211.06133	9.1
212.06493	0.5
224.06908	0.6
225.07664	1.4
225.11348	0.3
226.07967	0.2
227.12880	0.3
242.09599	0.1
328.11630	24.5
329.11923	1.8
342.13083	0.7
343.13974	100.0
344.14316	9.7
505.18771	0.2
551.19873	0.1
553.23419	0.2
562.99548	0.2
636.00684	0.1
717.99969	0.1
749.30164	1.3
750.31201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
56.18532	1.4
57.03448	3.2
58.00562	1.5
59.01383	12.5
61.98822	5.7
68.99831	1.7
70.03210	6.3
71.01389	17.6
71.16032	1.2
72.99310	5.7
73.02940	2.2
75.00878	21.7
80.96516	1.5
83.01404	2.4
85.02961	24.3
87.00879	6.7
89.02467	3.6
95.01392	5.3
99.00890	13.6
100.01193	1.6
100.82435	1.5
103.00407	2.4
111.00927	1.6
113.02472	20.5
115.00375	2.5
117.01959	3.0
129.01962	3.3
157.01407	1.3
163.11320	2.6
172.36563	1.2
175.02437	2.9
177.60837	1.2
205.07217	1.7
209.11852	35.1
210.12148	2.0
227.12932	1.4
245.29874	1.4
249.06151	2.5
255.23288	100.0
256.23602	8.3
382.54425	1.4
459.18274	1.3
505.29932	2.7
604.74500	1.3
715.42847	95.4
716.43292	17.5
747.45599	79.6
748.45953	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	747.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.1
59.01379	16.6
61.98834	6.2
66.78345	1.2
71.01381	22.2
72.99299	7.5
75.00877	25.9
78.95856	1.5
80.02663	1.5
81.03446	2.0
83.01392	2.5
84.02161	1.6
85.02955	26.7
87.00892	10.5
89.02443	5.8
89.64323	1.2
95.01385	7.4
99.00890	15.9
103.00394	2.2
111.00907	1.4
113.02470	27.7
115.00356	2.8
117.01934	4.8
129.01956	2.4
152.99530	2.0
157.01456	1.4
163.11299	4.0
165.12823	2.4
175.02426	3.7
199.13402	1.5
209.11835	89.8
210.12155	4.0
227.12877	4.4
249.06169	2.7
255.23288	61.1
256.23578	5.1
260.35242	1.5
281.24857	3.2
477.19855	1.8
481.28070	1.2
540.57904	1.2
556.11731	1.3
697.41370	3.7
715.42853	100.0
716.43201	23.5
747.45441	94.1
748.45813	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	747.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
60.99310	15.8
61.98833	11.5
67.76972	0.3
79.10433	0.3
80.96541	0.3
83.80099	0.3
87.00907	0.4
88.00449	0.4
88.98817	100.0
89.02455	2.0
89.99172	1.1
103.76749	0.4
110.87650	0.3
116.92873	0.5
169.56082	0.3
175.76015	0.3
207.10332	0.5
209.11838	0.6
211.13493	1.4
225.11244	0.3
236.74974	0.3
241.91685	0.3
280.50793	0.3
312.35489	0.3
348.45667	0.3
352.86539	0.3
362.62320	0.4
363.58258	0.3
383.22409	0.3
422.11853	0.3
517.31598	0.9
637.32410	0.5
747.32019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.3
60.99287	1.5
61.98831	39.7
62.90720	1.0
69.03457	1.0
69.65955	6.2
69.66367	2.5
71.01387	7.4
72.99312	1.5
73.02943	1.2
78.95884	1.1
81.03455	1.6
83.05039	3.4
85.02969	2.7
87.00930	1.4
88.98817	10.0
89.02442	4.1
97.02966	4.4
97.06581	1.5
99.00870	1.4
101.02455	6.0
109.06609	21.7
113.02428	2.8
116.31706	0.9
116.92860	2.6
119.03492	1.3
124.01848	1.0
125.09656	1.2
135.08171	2.5
142.02724	1.3
159.10251	1.8
161.04468	1.5
161.09789	1.5
163.11314	14.1
165.12793	1.6
171.10223	2.6
181.12303	5.2
183.13898	8.5
185.11801	2.1
189.09250	2.3
193.12317	2.1
197.11783	1.4
207.10281	59.6
208.10545	3.0
209.11775	9.0
210.12125	1.4
211.13405	100.0
212.13742	5.6
225.11343	26.9
226.11639	2.6
227.12819	1.4
235.08170	5.3
241.14441	1.3
253.09297	11.0
299.15192	1.1
321.32141	1.3
339.23221	1.3
373.23929	2.7
375.25491	1.5
383.22226	3.9
391.24960	1.7
401.23331	11.1
402.23856	2.1
419.24435	4.0
443.18970	3.6
447.22214	6.1
461.20471	6.6
609.32867	3.1
619.31641	2.4
628.24329	1.3
637.32428	39.8
638.32507	10.7
655.33417	34.3
656.33759	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	747.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
58.00599	5.6
59.01379	100.0
60.01699	1.5
61.98830	64.4
66.72095	0.8
70.51087	2.9
70.51438	1.4
71.01385	89.3
72.99310	9.2
73.02947	3.0
75.00861	1.7
83.01404	4.4
85.02959	14.1
85.96423	0.8
87.00900	5.3
88.98813	3.0
89.02453	95.8
90.02757	1.6
93.03472	2.3
95.01405	5.5
96.96022	2.7
97.02966	1.6
101.02451	54.0
102.02817	1.1
108.02174	1.8
109.02977	1.5
111.00899	1.7
113.02467	34.7
114.02757	1.5
116.92878	0.9
119.03516	44.6
120.03881	0.8
120.99738	0.9
121.02940	5.3
122.03732	4.2
123.00932	1.7
123.04554	2.4
125.02455	6.9
131.03534	5.7
133.02963	2.6
134.03764	1.6
135.04544	4.7
136.01602	1.8
137.02470	2.1
143.03532	9.8
145.02953	3.8
146.03755	1.2
149.02472	14.0
149.04488	4.0
150.03241	35.5
151.00352	0.8
151.03871	2.8
153.01958	1.0
154.20500	0.9
159.04538	0.9
160.01712	2.1
161.02441	2.7
161.04596	7.3
161.05780	1.3
162.03247	38.6
163.03789	3.0
164.04791	2.8
165.01942	1.9
165.05586	36.4
166.02689	0.9
166.06056	2.4
169.01501	5.0
175.03973	2.9
177.02022	1.6
177.05589	36.1
178.05948	2.0
178.53906	0.9
179.03360	1.1
179.05649	22.6
180.04274	4.7
181.05029	2.4
189.05557	1.1
190.06297	2.6
191.03380	1.3
191.07133	2.1
193.05049	2.0
194.05716	1.0
195.06628	28.2
196.07092	1.4
203.03436	1.6
205.08688	3.1
207.06671	1.3
208.07297	1.6
211.02303	0.9
214.62360	0.9
218.05908	1.0
225.07706	1.5
233.08081	1.2
243.12425	0.9
251.09338	4.0
256.03772	1.4
270.08868	1.6
275.01831	1.3
285.07431	1.0
285.11050	1.5
295.05887	1.8
298.08502	1.8
299.10300	0.9
300.99881	1.8
309.07785	0.9
310.08530	2.7
311.08972	2.1
312.09854	0.9
313.10800	1.9
314.07834	1.8
324.09995	1.2
325.11060	4.5
325.14169	1.2
326.07996	1.3
326.11493	1.5
330.10681	0.9
341.06525	1.5
341.10281	13.5
342.10822	2.3
355.11356	1.1
356.12650	6.9
357.12317	2.1
359.14990	6.8
360.15384	1.5
371.10349	1.1
371.15002	23.1
372.15259	3.9
506.18463	1.0
507.18665	5.9
519.19977	14.0
520.20178	2.3
537.20966	3.2
549.20972	1.7
585.23553	1.9
596.48035	0.9
675.36188	1.1
711.36792	1.1
715.22760	1.2
717.26208	1.3
747.28186	14.9
748.29224	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	747.2887
Annotation	Alangisesquin C
Peak:m/z	Relative Intensity
55.01879	1.6
57.03444	1.8
58.00590	1.1
59.01131	0.5
59.01379	34.0
61.98832	52.7
68.99806	0.7
69.03459	0.9
69.06017	0.8
71.01388	25.3
71.72159	1.4
72.99313	3.0
73.02966	3.1
83.01407	3.2
85.02960	7.5
86.00115	0.7
87.00892	4.0
88.98833	1.5
89.02456	22.6
89.02982	1.4
93.03449	4.7
95.01405	2.1
96.96030	0.7
99.00885	1.7
101.02459	15.5
108.02182	2.2
109.03000	2.2
111.00901	1.9
113.02454	8.7
116.92870	1.7
119.03519	9.0
119.08630	0.6
120.99660	1.0
121.02989	9.8
122.03770	14.6
123.00892	0.9
123.04569	1.7
124.01669	1.6
125.02466	3.8
131.03542	1.6
132.02209	1.0
133.02971	2.7
134.03740	2.5
135.04579	4.1
136.01649	2.9
136.05341	0.9
137.02478	2.0
137.06114	0.9
143.03508	2.4
145.02960	1.3
147.04532	2.8
149.02466	27.7
149.04454	1.3
149.06009	3.4
150.03246	100.0
151.00381	1.0
151.03656	4.3
153.05621	1.3
160.01691	1.3
160.05371	0.7
161.02496	1.3
161.04553	1.9
161.06097	1.1
162.03285	3.4
163.03993	2.8
164.04807	7.2
165.01910	2.9
165.05588	93.1
166.05919	5.8
167.03423	0.8
169.01462	3.0
173.06139	1.0
175.02617	0.8
175.04005	2.8
176.04866	1.1
177.05576	3.7
179.05630	6.0
179.07011	1.0
180.04294	10.0
180.67622	0.7
181.05060	1.7
183.06607	0.9
187.03970	1.4
189.05576	1.2
190.06308	2.5
191.07164	2.5
191.98169	0.9
193.05093	1.7
194.05899	2.1
195.06645	51.8
196.07066	2.8
203.03465	0.8
203.07074	1.2
204.04240	0.9
205.05078	1.6
205.08705	2.2
207.06639	2.0
208.07372	1.4
209.04274	0.7
211.09850	1.1
219.06609	1.2
220.07489	1.1
222.09058	0.8
270.05215	1.0
282.08932	1.2
294.65359	0.7
295.06082	1.6
297.07956	0.9
298.08438	1.7
299.09119	1.2
300.99875	2.1
310.08392	2.0
311.09360	5.0
312.09842	2.2
313.10803	1.6
325.10623	1.1
326.11487	1.7
327.08636	3.9
327.12033	1.3
329.10388	0.9
330.11072	0.7
341.10287	2.5
341.14001	0.9
342.11063	2.2
343.11801	2.0
344.12701	1.8
345.13519	1.8
355.12021	2.2
356.12518	2.2
357.13455	8.6
358.13846	1.8
359.14996	14.3
360.15353	2.0
371.14999	6.5
461.16135	0.9
493.18021	0.7
504.17365	0.7
506.17868	2.2
507.20117	3.5
518.17584	1.0
519.19446	1.7
521.20313	12.1
522.20056	1.5
533.20251	10.9
534.20367	1.3
537.21222	9.2
538.21252	2.0
550.68048	0.8
551.21179	3.3
567.22430	3.3
585.23541	11.4
586.23694	2.5
669.25531	1.8
681.25928	11.3
682.26111	2.9
685.30469	1.0
699.26764	53.2
700.27075	14.0
717.27618	1.7
729.27405	2.3
745.59222	0.7
747.28662	30.2
748.28955	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	746.252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
60.99333	0.1
61.98833	100.0
62.98546	0.1
69.65086	0.5
69.65499	0.2
71.01393	0.8
72.99332	0.1
73.02953	0.1
83.01403	0.1
83.29709	0.1
85.02973	0.3
87.00912	0.1
87.41509	0.1
88.98824	0.2
89.02464	0.7
94.06741	0.1
95.01408	0.1
96.96080	0.1
98.19794	0.1
101.02467	0.6
113.02472	0.4
114.53791	0.1
116.92934	0.1
119.03548	0.3
120.01279	0.2
121.03023	0.2
122.03771	0.2
123.00925	0.1
123.04501	0.1
125.02482	0.3
135.04541	0.2
136.01712	0.2
137.02522	0.1
145.05124	0.4
148.76041	0.1
149.02501	0.4
150.03259	1.4
151.00435	0.1
151.03987	0.4
161.02522	0.2
161.04616	0.3
163.04042	0.1
164.04781	0.2
165.01941	0.1
165.05586	1.5
165.06889	0.1
166.02675	0.1
166.05945	0.4
167.03268	0.1
169.01526	0.3
171.29311	0.1
177.05627	0.1
179.03671	0.1
179.05684	0.6
180.04327	0.2
181.05029	0.2
182.05466	0.1
190.99907	0.1
195.06664	0.9
196.07037	0.2
237.10342	0.1
247.08485	0.1
276.27835	0.1
279.11490	0.3
301.00003	0.1
341.10486	0.1
358.13919	0.1
371.15024	0.2
387.14432	0.5
388.14996	0.4
388.64703	0.1
535.20111	0.2
536.20038	0.6
583.22009	0.1
584.22614	0.5
585.23267	0.1
683.26019	0.3
746.24902	0.3
747.27594	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	745.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
55.23985	0.4
57.03447	0.8
58.00592	3.0
59.01381	49.7
60.99312	1.1
61.98833	12.2
62.31799	0.4
62.98062	0.4
63.21537	0.4
71.01387	43.0
72.01740	0.8
72.99312	4.8
73.02966	1.7
79.16838	0.4
83.01410	1.5
85.02953	7.5
87.00887	3.5
88.98842	2.5
89.02455	52.6
90.02871	0.6
93.03466	3.9
95.01406	2.7
95.05035	0.6
96.96026	0.7
99.00904	0.8
101.02457	23.7
107.05063	1.0
108.02185	1.1
109.02959	1.3
111.00882	0.5
113.02469	18.7
116.92972	0.4
117.03492	1.3
119.03523	22.8
121.02980	5.8
122.03769	12.6
123.00899	2.0
123.04567	1.0
124.01679	1.2
125.02478	3.1
131.03529	2.9
133.02147	0.4
133.02937	2.3
134.03786	1.4
135.04565	4.1
136.01680	17.4
137.02484	3.5
138.03204	0.6
139.00334	0.5
139.04048	0.9
143.03534	6.1
145.02972	6.2
146.03773	2.7
147.04530	1.5
149.01250	0.9
149.02455	16.2
149.04579	2.2
149.05960	0.5
149.59859	0.4
150.03244	86.6
151.00407	4.2
151.04050	20.0
152.01166	1.0
152.04507	1.0
153.01979	0.8
160.05299	0.9
161.02467	5.6
161.04559	4.7
161.05927	0.7
162.03247	21.1
163.03915	1.8
164.04813	4.1
165.05585	100.0
166.02736	15.1
166.05940	3.9
167.03366	1.3
169.01474	1.9
173.04553	0.5
175.04054	1.7
176.04733	0.5
177.01984	1.2
177.05594	13.2
178.05960	0.7
178.88838	0.4
179.03468	1.0
179.05637	13.9
179.07079	0.9
180.04312	7.9
181.05087	18.1
189.05583	1.1
190.06371	2.2
191.03589	1.0
192.04253	0.7
193.05057	0.9
195.06636	92.9
196.06987	4.9
199.09813	0.5
203.03500	0.5
203.07202	0.4
205.05022	0.8
205.08783	0.6
206.05803	0.9
207.06599	0.5
209.11792	0.7
217.05026	0.5
221.08221	1.5
267.08777	0.6
285.04068	0.6
325.11401	0.5
329.10391	1.0
341.10162	0.6
342.11111	1.5
356.12628	0.5
357.09775	3.2
357.13721	7.4
369.13281	0.6
372.11929	3.0
373.12421	0.7
387.14484	30.3
388.14890	3.3
401.11157	0.5
535.19751	10.1
536.20007	1.9
547.19653	6.4
548.19940	1.2
553.20667	0.6
565.20502	1.0
583.21869	24.5
584.22290	4.4
732.77795	0.5
745.27277	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	745.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.6
59.01375	7.8
60.98330	0.7
60.99319	1.3
61.98830	24.5
67.96750	0.7
69.36368	2.7
69.36791	5.2
71.01379	6.0
72.99300	2.0
73.02949	1.8
75.00889	0.9
77.48888	0.8
78.05863	0.6
78.95901	1.5
79.55191	0.7
80.02689	1.5
81.03455	3.1
83.01392	2.0
83.05027	12.0
84.02154	1.2
85.02956	12.2
87.00886	1.7
88.98808	7.8
89.02475	4.4
95.05028	2.1
96.96025	1.4
97.02961	2.9
97.06574	0.7
99.00921	1.1
101.02454	6.0
109.06611	3.3
113.02462	2.5
116.92857	2.5
119.03553	1.0
123.04559	1.0
124.74384	0.8
125.02470	1.1
125.09731	1.1
142.02715	1.6
152.99623	1.1
161.04671	1.7
163.11276	4.2
165.12872	2.1
170.81195	0.7
171.10277	12.6
177.12845	4.9
183.13953	1.8
185.11884	1.3
191.10779	1.2
193.12340	1.0
195.13956	3.5
195.90753	0.7
196.55182	0.7
197.11850	2.1
199.09810	0.7
199.13409	1.6
201.11273	1.3
203.10745	0.9
207.10216	2.4
209.11836	100.0
210.12170	7.2
211.13408	2.7
221.11827	57.9
222.12221	4.5
222.14653	0.6
223.13419	2.6
227.12889	14.3
228.13051	1.0
235.08241	2.9
238.09901	0.7
239.12886	41.6
240.13231	3.5
253.09322	9.4
259.13400	1.1
277.14471	1.5
281.24722	2.0
357.26215	0.7
413.23358	2.6
431.24301	2.0
432.24826	0.8
445.21051	1.4
457.20911	1.5
465.71030	0.8
475.21722	8.3
476.21954	1.5
509.28665	1.1
649.32794	4.1
650.33032	1.5
667.33575	6.4
668.34070	1.9
685.34192	4.2
686.35742	1.2
713.35138	0.9
745.38434	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	745.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.6
59.01378	3.8
60.99311	0.5
61.83208	0.4
61.98832	35.2
69.16526	0.4
69.52252	1.3
69.52669	3.1
71.01384	4.6
72.99320	0.8
73.02962	1.0
75.41982	0.5
77.28884	0.4
83.01411	2.0
85.02971	1.9
87.00877	0.6
88.98830	1.3
89.02462	1.9
93.03464	4.0
95.01424	1.1
95.05085	0.7
96.96053	1.6
101.02457	2.8
107.01437	0.4
108.02193	1.2
109.03005	1.3
113.02475	1.6
116.92881	1.8
120.01288	2.2
121.02977	12.9
122.03758	15.2
123.00904	1.9
123.04535	0.6
124.01669	0.9
125.02464	2.3
132.02177	0.7
133.03035	2.4
134.03722	1.1
135.04553	7.8
136.01685	17.3
136.05219	0.5
137.02495	4.3
138.03233	0.6
139.00412	0.6
139.04045	0.9
146.03755	1.1
147.04561	1.3
149.02466	29.3
149.06129	1.4
150.03249	94.3
151.00418	4.7
151.04048	24.0
152.01225	0.8
152.04581	1.0
153.02023	0.7
154.02797	0.7
159.04546	0.9
160.05318	1.8
161.02467	1.0
161.04614	0.6
161.06117	0.9
162.03305	0.8
163.04051	2.9
163.05165	0.5
164.04823	7.5
165.05594	100.0
166.02737	14.1
166.05908	4.3
167.03545	3.3
168.00684	0.5
169.01459	2.1
172.05313	1.3
175.04034	4.4
175.07678	0.7
177.02008	1.3
177.05545	2.8
178.02692	0.5
179.03462	0.8
179.07111	1.2
180.04294	7.3
180.25925	0.5
181.05093	18.5
183.54912	0.4
189.05594	3.9
190.06372	6.8
191.03497	1.1
191.07079	0.7
192.04309	0.6
195.06642	67.0
196.06975	4.2
205.05084	1.1
205.08788	1.2
207.06592	0.9
221.08099	1.0
251.03357	0.7
282.05350	1.2
297.07764	1.3
309.07492	0.7
311.08957	0.7
314.08075	0.8
315.08701	1.3
325.10693	0.7
327.08606	0.6
329.10373	3.2
338.81006	0.5
342.11096	2.1
343.11755	1.3
355.12054	0.8
356.12558	1.7
357.09595	3.6
357.13412	10.6
358.13721	1.2
361.29575	1.1
369.13458	1.0
372.12131	4.6
373.12845	1.0
386.13632	1.9
387.14481	45.9
388.14801	4.7
490.15884	1.3
505.18948	2.7
513.77582	0.5
517.18719	0.7
535.19653	56.8
536.20032	7.8
547.19849	0.8
553.20667	1.4
565.20789	3.2
566.21234	0.5
583.21832	46.1
584.22253	8.4
685.40271	9.3
686.40533	0.7
744.41028	0.6
745.29614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
60.99308	0.6
61.98832	100.0
71.01389	0.4
78.95901	0.2
87.00888	0.5
88.00424	0.5
88.98816	4.4
89.02443	0.9
90.07632	0.2
99.92628	0.2
101.02481	0.5
114.93484	0.2
116.92889	1.6
125.09727	0.2
171.10361	0.5
201.11320	1.5
202.11754	0.6
205.06752	0.2
209.11830	3.7
209.13670	0.3
210.12201	1.3
227.13026	0.3
229.90672	0.3
253.09370	0.5
254.09659	0.2
262.34070	0.2
277.21710	2.4
278.22168	1.7
279.22336	0.3
282.25250	0.3
293.21017	0.4
302.75903	0.2
332.21384	0.2
349.64584	0.1
365.19901	0.2
397.13400	0.3
398.14005	0.3
399.14142	0.3
400.14993	0.2
415.14975	0.2
482.60336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	8.1
59.01383	2.6
69.03466	1.7
69.72705	3.7
69.73121	1.5
71.01380	2.6
81.03477	2.0
83.01393	4.7
85.02969	0.8
87.00875	0.7
89.02431	1.5
90.02777	0.7
90.67595	0.7
93.03497	3.3
95.01398	2.4
95.05049	2.9
97.02964	4.5
98.39380	0.7
99.00869	0.7
101.02459	1.6
103.00377	0.8
107.05048	1.9
109.02977	17.4
109.03748	0.8
109.36454	0.7
110.03299	0.9
119.05033	2.1
120.99683	1.6
121.02971	5.8
123.00899	2.7
123.04543	13.3
124.01680	1.3
125.02472	100.0
126.02825	3.6
131.04997	1.2
131.07187	1.4
133.02980	2.7
135.04526	3.0
137.02484	19.6
139.04037	4.2
143.05078	1.1
145.02997	1.6
146.03827	1.1
147.04588	1.2
149.02478	11.7
149.06042	0.7
150.03207	1.4
151.04066	11.3
157.06627	0.8
159.04558	4.1
160.01602	0.9
160.05299	1.4
161.02486	7.7
161.06073	4.5
162.03188	1.9
163.00383	2.3
163.04036	7.9
164.01192	2.8
165.01978	4.5
166.02791	1.1
167.03552	7.4
169.01463	20.6
171.04576	0.9
173.06140	0.8
174.03265	1.4
175.04024	15.0
177.01958	71.9
177.05536	1.9
178.02344	4.0
179.03539	5.3
185.06053	1.7
187.04080	6.1
188.04788	3.2
189.01915	1.4
189.05637	1.7
191.03537	1.5
191.05614	0.9
191.24101	0.7
193.05116	1.4
197.06189	0.8
198.03400	0.8
199.04062	2.6
201.01968	2.1
201.05592	2.7
203.03548	2.2
203.07143	7.5
204.07520	0.7
205.01472	1.0
205.05084	8.1
211.03998	1.1
212.04826	1.4
213.05557	1.9
214.02806	0.8
215.03517	2.4
215.07301	1.0
217.05090	3.4
217.12061	0.7
219.03065	0.9
225.05608	1.8
227.03560	2.2
227.07219	1.9
229.01479	1.2
229.05093	4.1
231.02951	3.9
231.06679	1.6
237.05414	1.1
239.03607	0.8
240.04051	0.7
241.05035	4.0
243.02974	3.1
243.06599	1.9
245.04637	0.7
245.05437	0.8
245.08186	11.5
247.06088	1.0
249.04167	1.0
253.05148	2.2
255.02969	7.6
255.06706	1.9
256.03824	4.0
257.04471	2.8
261.03894	3.6
265.05035	0.8
267.03027	1.4
269.04581	2.3
270.02383	0.7
271.06268	1.4
273.04022	6.4
275.02039	2.1
281.04581	4.0
283.02518	2.1
283.06024	0.8
285.04074	22.0
286.04468	2.1
287.05502	1.7
288.03058	1.1
289.07184	46.7
290.07614	3.8
293.12350	3.9
297.04245	3.9
298.04700	1.4
299.05615	2.2
300.99908	4.1
301.07217	0.9
302.00388	0.9
303.05127	15.8
304.05566	1.0
305.06848	0.9
309.04303	1.0
315.05157	2.4
319.04630	6.2
327.05084	2.0
327.11072	1.0
339.08914	3.5
369.10022	0.9
381.09961	1.5
389.06619	1.0
395.07657	1.1
403.12506	1.4
407.07736	46.0
408.08023	5.4
419.07663	1.3
423.07071	6.1
424.07559	0.9
425.08832	30.6
426.09299	4.2
431.07077	1.0
437.08807	8.5
438.09000	1.1
441.08237	3.7
449.08694	14.1
450.09195	2.3
451.12433	0.8
453.08505	1.4
457.02222	5.8
457.52039	1.0
467.09705	8.5
468.10239	1.2
557.10883	1.0
575.12061	12.8
576.12445	3.2
593.13043	42.5
594.13507	6.2
611.07367	0.7
745.13263	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	3.2
61.98832	26.8
67.77280	0.9
71.01381	1.5
71.68587	1.6
78.95911	50.3
79.95733	1.2
80.96519	4.1
96.96964	4.0
120.95711	1.2
125.09659	1.4
126.01194	1.2
152.99606	56.2
153.99890	1.5
168.18538	0.9
171.00670	4.5
209.12123	1.1
225.00764	1.1
227.03255	6.6
231.21227	1.8
253.21727	31.1
254.22050	3.3
255.23270	15.9
264.76218	1.2
267.07816	1.1
275.20038	2.7
277.21713	91.7
278.22089	9.0
298.11478	1.1
413.20886	2.8
483.27301	9.7
484.27994	1.4
487.24615	1.9
505.25696	100.0
506.25937	13.6
659.30743	1.8
741.47339	35.7
742.36542	1.5
742.47931	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	742.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21714	0.1
57.12328	0.1
58.22004	0.1
59.01374	0.4
61.98832	100.0
62.75378	0.1
62.98542	0.2
69.42527	0.9
71.01402	0.1
88.77477	0.1
89.02455	0.2
113.02431	0.1
114.12875	0.1
116.92927	0.1
131.02071	0.1
209.11987	0.1
437.30655	0.3
455.31778	0.6
456.31781	0.2
499.30676	0.1
517.31628	1.4
518.31958	0.1
559.33209	0.2
679.37207	8.8
680.37506	2.1
682.38281	0.1
697.38190	0.1
742.36768	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
61.98831	100.0
62.98521	0.2
71.01398	0.2
89.02448	0.1
101.02442	0.1
102.18141	0.1
113.02439	0.1
116.92897	0.1
209.11940	0.1
344.11279	0.1
390.43906	0.1
390.48972	0.1
437.30728	0.3
455.31647	0.3
499.30951	0.2
517.31848	1.4
518.32117	0.2
679.37201	7.7
680.37457	1.7
682.38000	0.1
725.31812	0.1
742.36902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
59.01371	3.3
61.98830	100.0
62.98535	1.0
62.99244	0.3
63.99253	0.9
71.01384	2.8
71.67709	0.3
72.24816	0.3
73.02940	0.5
78.95895	0.4
79.61929	0.3
80.02680	0.5
81.03453	0.5
83.01408	0.5
83.05035	2.3
83.47033	0.3
85.02969	0.5
86.78913	0.2
87.00883	0.7
89.02448	1.9
95.05023	0.5
96.93972	0.2
97.06583	0.4
101.02449	2.1
108.77081	0.2
111.08167	0.6
113.02466	1.2
113.09731	0.9
116.92871	2.1
119.03444	0.3
125.02423	0.3
135.08220	0.4
145.05075	0.3
151.11241	0.3
152.99641	0.7
161.04572	1.1
163.11311	1.4
165.12907	1.2
169.12366	1.1
171.10234	0.4
178.87950	0.3
179.14436	0.3
181.12375	0.4
183.13924	0.5
184.14201	0.3
185.11870	0.3
191.10864	0.5
195.13914	8.7
196.14221	0.6
197.11819	2.1
198.12123	0.7
199.13446	0.6
200.13762	0.3
209.11835	54.5
210.12160	4.0
211.13408	6.9
212.13763	4.0
212.65417	0.3
213.11397	0.5
213.13954	1.5
227.12885	6.4
227.15073	0.5
228.13228	0.7
235.08195	1.3
253.09265	10.9
254.09605	1.3
277.21719	9.1
278.22086	1.1
291.19556	1.5
292.19919	0.9
293.21011	0.9
294.21576	0.7
295.22778	65.4
296.20020	0.5
296.23129	6.8
309.20752	1.7
310.21085	1.9
311.21326	0.9
348.62021	0.3
445.20917	0.4
447.22369	0.4
448.22516	0.3
449.23154	0.3
487.34122	1.0
505.25644	0.5
531.31592	0.6
736.02826	0.3
741.40637	1.6
742.41248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03442	1.8
58.00582	0.5
59.01378	6.1
61.98836	4.0
69.03465	1.1
71.01384	5.4
71.53770	0.5
72.99326	0.5
73.02937	1.1
78.95889	0.8
81.03450	0.4
83.01408	0.9
83.05038	1.4
85.02954	1.5
86.42025	0.4
87.00880	1.3
89.02452	3.3
95.01429	0.5
95.05041	1.2
96.96037	1.2
97.02935	0.5
97.06594	5.1
98.95667	0.4
99.92560	0.4
101.02446	4.0
109.06581	0.9
111.08152	5.2
113.02464	2.6
116.92838	0.8
119.03493	1.0
125.02450	0.8
125.09731	1.3
127.07642	0.9
133.10233	0.7
143.03510	0.4
145.05112	0.6
149.09744	1.0
151.11307	14.7
152.11668	1.1
152.99606	0.7
153.12804	0.5
155.10767	0.4
161.04562	1.3
167.10927	0.5
169.12352	68.2
170.12674	4.2
171.10329	0.8
179.05638	0.4
181.12404	0.8
185.11841	1.0
193.12279	0.5
195.10260	1.6
195.13960	0.5
197.11839	24.6
198.12201	1.5
199.13373	1.9
207.10115	0.5
209.11842	3.2
210.12167	0.4
211.13454	3.9
212.13728	0.9
213.11345	8.3
214.11717	0.4
227.12888	1.2
235.08223	1.6
253.09279	4.1
263.20163	1.6
265.17975	0.5
277.18335	0.6
277.21719	1.4
279.19653	1.3
291.19733	3.6
292.19821	0.7
293.20996	0.6
295.22647	1.1
309.20721	6.4
310.21033	0.6
319.68433	0.4
327.21844	0.5
431.19208	1.5
449.20285	4.2
505.25916	1.0
506.26160	0.4
643.33710	0.5
741.40784	100.0
742.41113	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03461	2.0
58.00585	0.4
59.01379	6.1
61.29631	0.3
61.98838	2.3
69.03465	1.1
71.01391	5.1
72.99303	0.6
73.02950	1.3
80.02637	0.3
81.03469	0.7
83.01397	0.8
83.05019	1.7
85.02956	2.1
87.00891	1.2
88.98819	0.6
89.02451	3.5
95.01389	0.4
95.05026	1.2
97.02982	1.5
97.06604	5.6
98.06919	0.3
98.19809	0.5
99.00865	0.4
101.02443	4.2
107.05067	0.3
109.06608	0.6
111.08184	2.2
113.02465	2.4
116.92879	0.5
119.03512	0.8
123.04556	0.3
123.08200	0.5
124.22869	0.3
125.02436	0.3
125.09760	1.5
126.10145	0.3
133.05057	0.3
133.10271	0.6
137.09738	0.3
145.05136	0.4
149.09731	0.5
151.11304	15.9
152.11626	0.7
152.85950	0.3
161.04631	1.2
163.11340	0.9
165.12889	1.4
169.12355	87.3
170.12709	4.6
171.10294	1.4
179.05615	0.8
179.14453	0.4
181.12352	0.5
183.13890	0.7
185.11858	1.0
193.12399	0.3
195.10268	1.6
197.11835	10.0
198.12190	0.7
199.13373	0.5
207.10233	0.7
209.11827	2.2
210.12207	0.3
211.13406	2.0
212.13721	0.3
213.11336	10.6
214.11606	0.9
223.13251	0.4
227.12881	0.7
235.08173	1.3
247.20740	0.8
253.09274	4.0
277.17990	0.5
287.14935	0.3
291.19669	6.0
292.20023	0.5
293.21097	0.3
295.19226	0.3
295.22580	0.3
309.20688	5.8
310.21054	0.4
327.21738	0.9
431.19220	2.7
449.20282	4.8
450.20682	0.7
545.29364	0.3
579.35510	0.3
723.40002	0.6
741.40814	100.0
742.41138	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	741.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
61.98831	37.6
66.22741	0.6
71.01379	3.0
80.96535	0.9
83.05022	1.2
88.98808	2.9
89.02460	1.7
100.44418	0.6
101.02476	1.2
104.26315	0.6
113.02451	0.8
163.11345	1.2
173.77921	0.7
176.38515	0.7
179.29295	0.7
209.11835	100.0
210.12196	6.6
227.12897	26.3
228.13150	1.6
235.08154	2.1
253.09256	4.4
427.19669	1.0
445.20804	9.2
446.21362	1.7
447.31577	0.8
563.26038	0.7
637.32318	3.4
655.33447	1.3
673.34485	1.7
678.36023	0.8
741.34766	31.8
742.35223	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	740.373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
60.96981	0.1
61.98831	100.0
62.98539	0.2
62.99244	0.1
71.01400	0.4
73.02944	0.1
83.01388	0.1
85.03016	0.1
87.00923	0.1
89.02448	0.3
97.02972	0.1
98.20713	0.1
99.89922	0.1
101.02448	0.3
105.01949	0.1
111.08191	0.2
113.02473	0.1
116.92898	0.1
119.03522	0.1
151.17596	0.1
161.04546	0.1
163.11273	0.1
165.12888	0.1
169.12434	0.1
179.05737	0.1
183.13834	0.3
184.14293	0.1
195.13977	0.2
197.11855	0.8
198.12257	0.3
199.13455	0.2
207.10326	0.1
209.11850	1.3
209.25478	0.1
210.12193	0.1
211.13408	3.7
212.13750	1.7
213.14017	0.1
227.12872	0.4
228.13281	0.1
235.08351	0.2
245.44856	0.1
246.72084	0.1
253.09265	0.7
254.09750	0.2
263.20401	0.1
277.21677	0.3
279.23276	0.1
280.23544	0.3
281.23917	0.1
282.24744	0.1
291.19617	0.4
292.19977	0.3
292.23285	0.1
293.21201	0.3
294.21686	0.1
295.22778	1.5
309.20715	0.9
310.21060	0.8
397.13519	0.1
398.14063	0.2
399.13898	0.3
400.14468	0.2
416.14960	0.1
447.22507	0.1
448.22958	0.2
740.44275	0.1
741.42242	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	740.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
60.59369	0.2
61.61188	0.2
61.98831	100.0
71.01392	0.5
74.38190	0.2
75.92437	0.2
78.95932	0.3
85.02969	0.3
87.00915	0.2
88.98834	0.5
89.02464	0.3
98.19831	0.3
101.02464	0.5
111.08211	0.3
113.02494	0.3
113.09713	0.2
116.14780	0.2
116.92882	0.3
127.64153	0.2
148.95471	0.2
169.12440	0.3
171.10313	1.2
175.50873	0.2
181.12369	0.2
183.13907	0.8
184.14288	0.2
193.12320	0.2
197.11847	1.0
198.12135	0.3
201.47876	0.2
209.11856	2.2
210.12210	0.8
211.13405	5.2
212.13742	2.2
227.12912	0.5
228.13330	0.2
230.35022	0.2
235.08307	0.5
253.09329	0.9
271.65225	0.2
276.20587	0.3
277.21829	0.7
279.23520	0.3
280.23724	0.3
291.19705	1.0
292.20041	0.2
293.21210	1.8
294.21561	1.4
295.22452	0.4
309.20682	1.3
310.21036	0.9
311.22025	0.3
398.14114	0.3
399.14105	0.4
400.14520	0.3
406.89465	0.2
447.22327	0.2
448.22812	0.3
505.26093	0.2
527.28619	0.2
562.72809	0.2
740.43225	1.5
741.43121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94812	0.2
55.01883	0.4
57.03452	0.6
59.01379	4.9
61.98828	4.4
69.03465	0.5
71.01382	3.3
72.99314	0.3
73.02959	0.5
78.95919	0.2
80.02678	1.2
81.03473	1.0
83.01411	0.5
83.05032	4.5
84.02183	0.8
85.02959	0.9
87.00890	0.8
88.98830	0.3
89.02457	2.6
95.01431	0.4
95.05058	0.7
96.96008	0.2
97.02980	0.3
97.06593	0.5
101.02464	3.2
103.04013	0.2
109.06628	0.2
111.08173	0.4
113.02464	1.8
113.09744	0.2
119.03510	0.8
125.02442	0.3
125.06119	0.6
125.09717	0.3
131.03558	0.2
135.08171	0.4
143.03534	0.4
145.05052	0.2
161.04588	1.4
163.11330	3.3
164.11615	0.2
165.12857	1.6
166.13206	0.2
167.10738	0.2
169.12355	0.3
171.10326	1.5
177.12888	0.3
179.05658	0.6
179.10860	0.3
179.14450	0.7
181.12373	0.7
183.13930	0.6
191.10805	0.9
195.13934	7.3
196.14285	0.8
197.11768	0.3
199.13396	0.2
205.12358	0.7
205.16121	0.3
209.11848	100.0
210.12180	7.1
211.13416	5.1
212.13672	0.4
223.13383	4.8
224.13756	0.3
227.12897	12.8
228.13326	1.2
229.41327	0.2
231.21306	0.4
235.08255	2.5
253.09285	18.3
254.09610	0.8
256.13043	1.0
257.19464	0.2
265.21695	0.4
275.20154	8.1
276.20450	0.9
291.19672	1.3
292.19949	0.2
293.21219	90.8
294.21564	10.6
309.20685	0.9
441.34103	0.2
445.20691	1.1
447.22186	0.3
485.32935	0.4
492.21936	0.3
503.33914	0.4
504.34308	0.2
527.27917	0.2
529.30048	1.2
631.72778	0.2
670.35730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
60.99303	0.9
61.98830	100.0
63.02369	0.6
63.99239	1.0
71.01044	0.6
71.01382	2.7
71.72409	0.7
72.99333	0.6
75.60344	0.5
78.55801	0.4
78.95902	2.1
79.95736	1.5
80.96523	2.9
81.95347	0.5
83.01415	1.1
83.05048	0.7
84.02159	0.5
85.02945	0.6
88.98808	6.7
89.02457	0.8
93.03487	0.9
94.98106	1.3
96.96021	14.9
96.96918	2.5
101.02460	1.8
101.61699	0.5
107.01426	1.8
109.03027	0.5
109.06627	0.5
113.02488	0.8
116.92896	1.1
117.03523	1.5
119.05046	1.6
121.02955	0.8
123.00894	0.5
125.02522	0.6
132.02179	0.7
135.00882	0.9
145.02979	5.0
151.00330	2.6
159.04512	0.7
160.78604	0.4
163.00433	1.3
163.04031	0.6
163.11314	0.5
164.98633	0.9
169.01440	0.8
169.06703	0.6
171.10303	0.6
183.04518	0.6
183.13948	2.0
185.06143	1.0
187.04057	1.3
196.87321	0.5
197.06093	0.6
197.11778	0.9
199.04041	0.6
207.10295	0.6
209.11853	4.7
211.04019	2.1
211.13356	0.8
212.04842	0.6
213.05568	0.5
223.13443	0.9
225.00778	1.1
225.11418	0.8
227.03503	25.3
227.12933	1.0
228.03923	1.7
229.05060	3.8
239.03487	1.0
240.04230	0.7
255.02979	44.6
256.03574	8.1
257.04523	4.0
267.03046	0.6
268.03381	0.6
283.02554	2.7
284.03259	59.5
285.04004	40.0
285.07388	0.6
286.04404	3.3
519.36847	1.8
523.35168	0.5
531.11566	1.1
673.34186	2.4
677.15295	79.0
678.15674	19.8
681.26563	0.5
739.31769	0.5
740.31238	3.3
741.33429	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.1
57.03452	0.2
58.00595	0.2
59.01374	2.8
61.98832	15.1
62.98537	0.1
63.99251	0.3
69.03461	0.2
71.01382	2.9
71.05019	0.2
72.99327	0.2
73.02962	0.6
75.00896	0.1
78.95939	0.1
80.02673	1.1
80.36686	0.1
81.03470	1.1
83.01393	0.4
83.05029	4.1
83.05519	0.2
84.02170	0.7
85.02949	0.9
87.00879	0.6
87.60376	0.1
89.02454	1.6
90.02820	0.1
93.03506	0.2
95.01380	0.3
95.05054	0.6
95.23466	0.1
96.96020	0.2
97.02959	0.2
97.06588	0.2
98.20663	0.2
99.00890	0.2
101.02451	2.4
106.04227	0.1
108.17484	0.1
109.06615	0.3
111.08200	0.3
113.02468	1.2
113.09766	0.1
115.04094	0.1
119.03463	0.6
121.10243	0.2
121.11040	0.1
125.02481	0.2
125.06108	0.7
125.09751	0.2
129.50764	0.1
133.05087	0.2
135.08179	0.5
143.03528	0.3
145.05080	0.3
147.11774	0.2
153.12767	0.1
157.05136	0.2
161.04582	1.0
163.11308	3.3
164.11612	0.2
165.12865	2.1
166.13110	0.1
167.10823	0.2
169.12344	0.3
171.10307	0.6
171.68678	0.1
173.09723	0.1
179.05624	0.4
179.14429	0.4
181.12407	0.7
183.13989	0.5
191.10835	1.0
195.13916	2.9
196.14473	0.3
197.11897	0.6
199.13435	0.3
205.12444	0.2
205.15939	0.1
209.11835	100.0
210.12180	6.5
211.13391	3.2
212.13699	0.1
223.13408	2.0
224.13907	0.1
225.11418	0.2
227.12888	10.2
228.13260	0.8
231.21191	0.2
235.05952	0.2
235.08240	3.0
235.17084	0.3
236.08598	0.1
247.40422	0.1
253.09274	10.3
254.09813	0.5
256.13144	0.3
265.21640	0.3
275.20157	3.3
276.20547	0.3
289.18173	0.1
291.19797	0.5
293.21210	37.5
294.21542	3.5
309.20667	0.9
445.20776	1.6
446.20889	0.2
463.21753	0.1
478.67502	0.1
503.33688	0.1
511.28687	0.1
529.30109	0.2
739.41235	0.6
740.40802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03455	1.9
58.00595	0.5
59.01377	7.3
61.98827	21.8
67.01945	0.4
69.03453	0.7
71.01388	6.9
71.37208	0.8
72.99284	0.6
73.02945	1.5
78.73539	0.3
80.02686	0.4
81.03478	1.0
83.01395	0.7
83.05046	1.3
85.02957	2.7
87.00873	2.1
89.02445	3.9
91.14607	0.4
95.05035	0.9
97.06583	0.9
99.00895	0.8
101.02453	6.5
105.01939	0.5
109.06586	1.1
111.08188	2.5
113.02468	3.1
113.09747	3.4
115.04038	0.5
115.81081	0.4
119.03503	1.3
125.02441	0.7
125.09750	0.5
133.05080	0.4
135.08218	0.4
139.11191	0.5
143.03461	0.6
145.05057	0.6
147.77950	0.4
161.04559	2.0
163.11292	1.4
165.12848	9.1
166.13203	0.5
167.10710	0.6
169.12376	0.5
171.10269	1.1
177.12907	0.5
179.05614	0.9
179.14354	0.8
183.13904	87.2
184.14256	5.3
195.13939	9.4
196.14520	1.0
197.11848	5.1
198.12173	0.4
199.13454	0.9
205.12340	0.9
207.10204	1.0
209.11833	23.1
210.12202	1.5
211.13397	21.0
212.13737	1.3
223.13422	5.5
225.11159	0.5
227.12903	7.3
228.13478	1.1
235.08215	3.5
249.22324	0.6
253.09264	12.1
254.09561	0.7
256.13074	0.8
265.21579	0.5
275.20184	6.1
291.19589	3.0
292.19775	0.6
293.21210	71.3
294.21533	7.3
295.22672	1.3
309.20706	6.5
310.21033	0.9
416.15002	0.5
419.22937	0.8
445.20697	2.1
447.22308	1.0
463.21866	2.5
464.22052	0.5
529.30066	1.6
545.29761	0.6
721.42297	0.6
739.42841	100.0
740.43140	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	739.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
58.00580	1.9
59.01378	12.7
61.98832	12.4
63.16651	0.8
69.03446	0.9
70.87581	2.6
71.01389	13.3
71.05013	2.6
72.34527	0.7
72.99320	1.5
73.02952	1.7
75.48844	0.7
78.95912	3.2
81.03448	0.9
83.01396	1.3
83.04994	1.3
85.02959	3.7
85.30859	0.8
87.00885	2.1
89.02454	6.8
95.01411	1.6
95.05015	1.5
97.02964	3.5
97.06589	2.2
99.00898	10.0
101.02466	8.5
109.06606	2.3
111.00916	0.8
111.08154	2.3
113.02460	5.0
119.03509	1.7
123.08185	1.2
125.02441	1.3
125.09737	5.3
127.11311	1.5
128.28249	0.7
133.05167	0.9
135.08183	1.1
136.05313	1.0
141.12808	1.0
142.02693	0.9
145.02960	0.8
147.99843	0.8
151.11327	1.0
152.99678	1.3
155.10793	1.0
161.04552	2.1
163.11308	9.2
165.12868	0.7
167.10797	1.0
169.12383	2.3
171.10274	20.1
171.90538	0.8
172.10625	0.9
172.60789	0.7
179.05614	1.3
179.10741	1.8
181.12364	15.8
183.13934	6.5
185.11865	4.7
189.09303	0.8
193.12318	2.1
195.13937	3.7
197.11830	3.0
199.13408	37.7
199.15263	1.9
200.13727	1.9
201.11282	2.4
207.10271	35.3
208.10590	3.2
209.11829	8.5
211.13403	62.5
212.13731	5.3
223.13435	1.9
225.11322	64.3
226.11703	4.4
227.12888	26.2
228.13211	1.8
229.14421	1.3
235.08203	5.4
243.12396	12.5
245.13710	1.2
253.09264	15.1
275.20120	2.3
277.21716	62.3
278.22064	7.2
288.53476	0.7
291.19662	20.7
292.19995	2.1
293.21219	21.0
294.21573	2.6
295.22638	1.3
309.20657	1.1
311.22253	1.6
321.41470	0.8
401.23282	0.8
407.19028	0.9
443.19089	1.9
445.20758	1.1
461.20151	11.3
462.21063	0.8
463.21832	5.4
479.21326	2.3
485.32690	1.2
721.41815	7.0
722.42023	1.7
739.42865	100.0
740.43213	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05098	0.9
57.03425	1.7
59.01382	12.8
59.24829	1.0
61.98836	11.1
66.48185	1.1
71.01389	16.7
71.05018	3.0
72.99307	1.2
73.02947	2.2
78.86673	1.3
83.05036	2.3
85.02943	3.4
85.06597	1.0
87.00858	3.3
89.02460	8.2
95.01387	2.5
95.05045	2.2
97.02947	5.0
97.06593	2.9
99.00877	16.8
101.02463	9.3
102.51253	1.3
109.06595	2.7
110.02204	1.3
110.03737	2.4
111.00915	1.2
111.08179	3.6
113.02462	6.1
123.08186	1.4
125.09750	7.3
137.28793	1.0
161.04549	2.7
163.11310	11.5
167.10793	1.3
169.12236	1.7
171.10295	29.3
172.10757	1.5
172.57600	1.1
175.46407	1.0
179.05714	1.6
179.10814	1.2
181.12361	17.7
183.13889	4.1
185.11823	2.4
195.13840	4.1
197.11766	2.0
199.09778	1.7
199.11624	1.8
199.13406	21.8
201.11386	5.7
207.10284	36.8
208.10660	2.0
209.11826	5.3
211.13408	30.1
212.13702	2.2
223.13449	1.9
225.11333	58.1
226.11659	3.4
227.12891	11.5
235.08226	7.2
243.10011	1.8
243.12360	24.2
244.12704	2.2
252.89993	1.3
253.09276	17.0
254.09579	1.5
272.00098	1.4
275.20221	2.7
277.21750	66.9
278.22076	7.9
280.84583	1.2
281.24939	5.5
285.03671	1.4
291.19666	19.9
292.19821	1.9
293.21210	18.5
397.13434	7.8
415.14676	2.3
443.19360	2.0
461.20126	5.4
479.21210	7.8
480.22009	1.2
721.42004	5.4
739.42871	100.0
740.43347	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	739.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.2
57.03442	1.1
59.01378	11.8
61.98829	30.4
68.99785	0.9
69.03441	1.3
71.01384	100.0
72.01725	1.2
72.99313	2.8
73.02943	3.2
78.95900	6.3
80.02657	0.8
80.49776	0.8
80.96518	1.2
81.03461	1.6
83.01408	1.6
83.05039	2.6
84.02166	1.1
85.02970	4.0
87.00900	2.7
89.02431	5.1
95.01414	1.0
95.05019	1.9
97.02956	5.0
97.06567	0.9
99.00919	1.4
101.02444	7.0
106.97311	0.8
109.06602	22.3
110.03739	1.0
111.00879	0.9
113.02464	3.5
118.96848	0.9
121.06612	1.4
125.02549	0.8
125.09724	1.9
127.11334	1.2
135.08128	2.6
136.05312	1.0
141.02007	0.9
142.02751	1.4
143.03523	1.3
151.11356	0.9
152.99597	3.4
161.04581	1.7
161.09743	1.5
163.11304	13.3
165.09216	1.3
166.99066	0.8
171.10278	28.8
172.10567	2.0
179.05528	1.3
179.10905	1.3
181.12401	3.8
185.11858	5.4
189.09270	2.2
195.13756	0.8
197.11858	2.2
199.09721	4.0
199.13397	4.2
201.11337	21.7
202.11584	1.3
207.10275	61.6
208.10634	5.1
209.11833	1.9
211.13347	3.3
215.12930	1.6
223.09894	0.9
225.11317	44.0
226.11621	4.0
235.08264	2.9
243.12305	4.4
253.09285	12.6
277.21716	79.3
278.22107	8.3
279.23361	2.9
280.66064	0.9
293.21194	1.8
299.14874	1.2
443.19202	2.7
445.33563	1.0
461.20157	13.9
462.20560	1.0
479.21237	1.8
609.81189	0.8
721.41699	9.9
722.42560	2.8
739.42584	18.0
739.55768	0.9
740.42822	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53986	0.5
57.03445	0.8
59.01380	8.6
61.98832	21.2
62.20640	0.4
63.69206	0.5
69.03471	0.7
71.01387	78.3
71.71352	0.7
72.01720	1.0
72.99300	0.9
73.02954	3.2
75.00876	0.5
78.95915	2.1
79.25457	0.4
81.03468	1.3
83.01387	1.0
83.05029	1.9
85.02957	2.7
86.00071	0.5
87.00909	2.3
89.02446	2.4
95.01402	1.2
95.05005	0.9
95.77088	0.5
97.02966	3.4
97.06606	0.6
99.00892	2.2
101.02462	5.1
109.06607	12.2
110.06977	0.5
110.18372	0.4
111.00902	1.1
111.04552	0.8
113.02474	3.2
119.03530	0.7
121.06601	1.1
123.08170	0.5
125.02447	0.7
125.09723	1.3
127.11288	1.1
135.08211	1.0
142.02736	1.0
143.03540	0.7
145.05098	1.1
145.10155	0.5
152.99594	0.8
153.09262	0.5
155.10826	0.7
161.04549	1.9
161.09734	0.7
163.11314	8.0
164.11627	0.5
165.09216	0.6
171.10294	11.9
172.10611	1.3
179.10823	1.0
181.12344	2.1
185.11806	1.9
189.09206	1.5
197.11800	1.0
199.09767	1.1
199.13405	1.6
201.11343	8.7
202.11771	0.5
207.10280	31.7
208.10599	1.9
209.11816	1.5
210.12062	0.7
211.13448	1.1
215.12921	1.2
225.11336	21.3
226.11639	1.3
235.08241	5.7
241.19868	0.5
243.12300	1.7
253.09239	10.3
253.11732	0.8
254.09660	0.8
275.20288	0.7
277.21725	100.0
278.22058	11.6
279.23077	1.6
293.21417	0.8
378.07022	0.5
443.19586	2.5
461.20309	5.1
462.20541	0.8
643.61755	0.5
649.86633	0.6
721.42017	6.4
722.42297	3.2
739.42780	8.9
740.43756	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	739.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01376	14.7
61.98835	23.5
69.59960	8.0
71.01389	12.1
72.99326	1.1
73.02953	3.5
78.95903	4.8
83.01366	1.7
83.05035	1.9
84.65453	1.1
85.02950	3.2
87.00898	1.9
89.02449	4.3
95.01321	1.1
95.05061	2.3
97.02956	3.9
97.06610	2.8
98.20596	2.0
99.00913	8.6
101.02459	7.6
109.06608	13.6
111.00897	1.2
113.02451	3.4
116.92826	1.3
119.03531	1.6
123.08092	1.0
125.09719	5.1
135.08138	1.3
137.09673	2.5
152.11691	1.1
152.99599	2.7
153.09183	1.9
155.10802	2.0
161.04564	2.7
161.09785	1.9
163.11308	9.9
169.12347	1.5
171.10289	32.1
172.10571	1.6
179.10696	1.3
181.08688	3.1
181.12314	7.3
185.11867	1.2
189.09213	2.3
197.11838	4.3
198.12128	1.2
199.09796	22.2
199.13441	2.4
200.10272	1.0
201.11363	9.5
206.33217	1.0
207.10266	47.3
208.10574	3.5
209.11835	2.5
211.13409	2.2
215.12923	3.7
225.11327	54.0
226.11652	3.2
235.08257	5.0
243.12349	10.8
253.09303	13.7
277.21722	100.0
278.22101	11.6
279.22720	1.9
293.21213	3.3
367.65283	1.0
378.74844	1.0
417.17694	1.5
435.18793	4.9
441.29688	1.3
443.19327	3.0
455.04962	1.2
461.20285	9.4
462.20483	1.5
479.20868	2.0
695.40381	7.7
696.41040	1.8
721.42059	14.5
722.42419	3.1
739.42578	47.7
740.43225	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	739.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
57.03444	1.2
58.00579	2.1
59.01382	31.1
61.98833	9.1
64.28163	0.6
69.03444	1.6
69.43491	6.4
71.01386	28.7
71.44343	0.5
72.01719	0.6
72.99314	3.1
73.02956	4.7
75.00872	1.2
75.71284	0.6
81.03464	1.2
83.01414	2.8
83.05052	0.9
85.02966	7.2
87.00886	7.3
89.02458	23.3
93.03475	0.7
95.01398	2.3
95.05025	1.1
97.02964	5.4
99.00889	1.3
101.02457	23.7
102.02803	0.8
109.06602	1.9
111.00873	0.7
111.04539	0.9
111.08160	0.8
113.02468	11.8
113.09712	0.6
115.03976	0.7
117.51674	0.8
119.03519	6.6
125.02457	11.3
125.09785	0.9
127.11305	1.0
131.03516	0.9
133.05078	0.8
139.04053	1.3
143.03516	4.6
149.04619	0.6
149.09596	0.6
161.04594	5.4
163.11308	2.2
171.10297	42.4
172.10579	2.1
179.05618	4.4
179.10738	0.8
181.12389	0.9
183.13945	9.6
184.14345	0.9
185.04449	0.7
185.11754	0.8
189.09174	1.3
197.11871	2.8
199.13449	1.0
201.11293	2.6
207.10300	6.4
209.11867	4.2
210.12131	2.2
211.13460	7.8
212.13831	1.1
219.05159	0.7
221.06659	1.8
225.11340	17.0
226.11739	0.9
227.12849	2.9
235.08253	15.9
236.08466	1.0
253.09273	9.9
263.07803	1.0
275.20288	0.7
277.21729	56.3
278.22031	6.3
281.24863	77.6
282.25204	9.9
287.07791	3.2
291.19745	3.8
293.21265	7.7
294.21570	1.6
295.26404	0.6
305.08771	4.3
309.20670	2.9
323.09912	1.3
356.37415	0.6
379.12219	1.0
397.13531	100.0
398.13882	8.2
407.19257	1.1
415.14575	31.7
416.14780	2.9
437.63293	0.7
443.19046	1.7
461.20386	2.6
677.37109	0.9
679.39282	3.2
680.39136	0.9
721.41766	3.2
739.42908	8.9
740.43597	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	739.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.7
61.98833	19.6
65.36069	0.7
71.01388	3.9
71.05024	2.1
73.02940	0.9
74.10822	0.8
74.89394	0.8
74.99060	0.8
77.08734	0.7
80.96518	2.1
85.02954	1.4
88.98823	1.9
89.02442	1.9
94.98105	0.9
96.96025	1.2
101.02435	2.9
110.66279	0.7
113.02460	1.3
116.92866	1.2
119.03432	0.8
124.44665	0.7
125.02502	4.1
168.21461	0.7
169.01466	5.3
170.29544	0.8
178.78918	0.8
201.11407	1.3
209.11880	2.1
219.16089	0.8
225.00848	1.2
250.48849	0.8
301.95114	0.8
421.68539	0.8
437.30685	5.4
438.31042	1.5
444.08167	0.9
455.31610	3.5
473.32111	0.9
499.30499	3.0
513.56830	0.8
517.31482	22.7
518.31744	5.1
559.32599	2.2
665.26819	0.8
676.36340	1.5
677.36884	1.0
679.37225	100.0
680.37561	24.6
707.35052	2.3
739.31549	1.5
740.36963	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01382	4.9
60.99302	0.5
61.98833	34.7
62.84774	0.2
63.02414	0.3
63.56155	0.3
63.99254	0.9
69.36811	2.7
69.37221	0.5
71.01391	4.3
71.05016	1.2
73.02953	0.6
78.95889	0.7
78.98594	0.6
79.95736	1.0
80.96524	5.8
81.03455	0.3
82.96072	0.4
83.01386	0.6
83.05029	0.5
85.02950	1.5
87.00878	0.7
88.98821	3.0
89.02435	1.9
93.03474	0.6
94.98096	1.8
96.96012	1.0
97.02925	0.3
99.00899	0.5
101.02451	2.2
107.01416	0.4
109.02921	0.4
113.02473	1.6
116.92872	0.7
117.03497	3.1
119.03484	0.6
119.05042	1.7
119.86269	0.3
121.02917	0.3
122.97590	0.3
125.02458	0.9
134.97531	0.3
137.02420	0.3
143.44984	0.3
145.02975	12.0
146.03325	0.4
148.99139	0.3
151.00362	0.9
152.98616	0.5
159.04466	0.6
163.00360	0.4
163.04025	1.3
164.98665	1.0
165.12881	0.6
169.01434	0.5
171.10291	0.4
183.13930	3.0
185.06021	0.4
187.04010	1.0
187.28430	0.3
209.11870	5.8
210.12212	2.9
211.12410	1.1
213.05624	0.4
225.00729	2.0
227.03506	1.2
227.12889	3.3
228.13200	0.8
229.05208	1.4
239.03452	0.4
255.03011	1.3
256.03696	0.5
257.04578	0.9
283.02625	0.5
284.03305	1.3
285.04068	19.0
286.04468	2.0
307.08316	0.5
412.99982	0.3
419.29526	0.3
437.30652	4.0
438.30951	1.1
453.06061	0.6
453.11963	6.8
454.12308	1.3
455.31512	3.1
469.29605	0.9
473.32782	0.4
487.30573	0.4
499.30618	4.4
500.30774	0.6
517.31671	100.0
518.32001	19.7
551.30225	0.4
559.32819	5.7
560.33130	1.0
589.33844	0.7
623.25470	0.4
679.38910	2.4
680.39093	0.5
721.31262	0.4
739.16992	1.0
739.31604	8.5
740.18640	0.4
740.32068	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	739.392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75289	0.2
58.00665	0.3
59.01167	0.7
59.01498	2.4
61.98593	3.9
61.98954	13.5
62.98631	0.2
63.33397	0.2
65.28983	0.2
71.01093	0.7
71.01525	2.4
71.05161	0.7
73.03057	0.4
78.98706	0.3
79.95894	0.8
80.96146	0.8
80.96679	4.4
82.21681	0.2
82.96207	0.3
83.01073	0.2
83.01501	0.5
85.02641	0.3
85.03082	0.6
87.00524	0.3
87.00994	0.5
88.95268	0.3
88.98967	1.0
89.02621	1.5
94.98285	1.1
101.02628	1.2
107.01532	0.3
113.02657	0.9
116.93025	0.4
117.02894	0.4
117.03678	1.1
119.03664	0.3
119.05200	0.5
121.03197	0.2
125.02613	0.5
134.97653	0.3
145.01985	0.3
145.02991	4.4
146.03558	0.3
148.12277	0.3
148.99281	0.4
151.00539	0.3
152.52443	0.2
152.98898	0.6
158.94324	0.3
163.04253	0.5
164.98853	0.7
165.05617	0.2
165.13081	0.4
169.01634	0.3
179.05750	0.4
183.13948	1.8
184.14328	0.2
209.11839	3.5
209.42854	0.2
210.12210	1.4
211.12553	0.4
225.00777	1.6
227.12921	2.8
228.13365	0.3
229.05309	0.8
255.03183	0.4
257.04831	0.4
284.03372	0.3
285.04077	6.7
286.04590	0.6
377.28561	0.7
395.29700	0.5
437.30756	3.4
438.31091	0.6
453.12045	2.7
455.31659	2.7
456.31976	0.6
469.29599	1.2
487.30801	0.4
499.30597	3.4
500.31021	0.6
512.63947	0.2
517.31665	100.0
518.32013	17.6
559.32819	5.9
560.33032	0.5
589.33447	0.5
593.13007	0.3
619.34985	0.3
679.38800	1.7
680.38239	0.5
739.31836	7.6
740.32220	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	739.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.2
61.98830	10.7
71.01378	3.3
89.02452	2.9
98.20621	1.9
101.02475	2.2
106.17496	0.7
112.93401	0.8
113.02463	1.1
125.02484	1.9
163.47998	0.8
169.01436	1.3
178.91808	0.8
330.57816	0.9
341.23575	3.8
437.30511	3.9
438.30826	1.6
455.31619	9.2
456.32278	1.6
496.06985	0.9
499.30679	2.4
517.31641	18.9
518.32037	3.6
540.10492	0.9
559.32782	2.5
676.36780	1.7
679.37207	100.0
680.37531	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	739.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90425	0.3
59.01380	2.2
60.99317	0.9
61.98830	100.0
62.98535	0.7
63.99260	1.4
65.00324	0.4
71.01379	2.3
72.99313	0.5
73.02952	0.6
75.00868	0.3
78.95933	1.4
78.98622	0.7
79.95735	1.3
80.96520	6.1
81.03490	0.4
82.95432	0.4
82.96112	0.4
83.01390	0.7
83.05013	0.5
85.02965	0.7
87.00903	0.6
88.98816	5.2
89.02454	1.0
93.03463	0.6
94.98081	1.3
95.44122	0.3
96.95995	0.4
96.97002	0.5
97.02953	0.6
98.20635	0.7
99.00884	0.3
101.02448	1.5
107.01378	0.7
109.02897	0.3
109.06585	0.7
113.02449	0.7
114.10792	0.3
116.92864	1.1
117.03471	2.0
119.05020	1.0
121.02952	0.5
123.00879	0.5
125.02418	0.9
135.04495	0.3
137.02438	0.3
140.58318	0.3
143.03435	0.3
145.01831	0.5
145.02968	7.2
146.03328	0.4
148.99121	0.5
151.00380	0.8
152.98489	0.3
152.99590	0.7
159.04568	0.4
161.06171	0.4
163.00430	0.4
163.04005	0.8
163.11258	0.7
164.98608	1.2
165.12958	0.4
169.01413	0.7
171.10234	0.8
177.01930	0.3
183.04495	0.4
187.03978	0.5
195.06676	0.3
206.99655	0.4
207.10257	2.7
209.11821	6.1
210.12080	0.6
211.07655	0.4
211.13409	0.7
212.04752	0.3
213.05635	0.3
223.13310	0.3
225.00705	1.8
225.11322	2.4
227.03506	1.9
227.10831	0.3
227.12788	1.5
229.05020	1.2
229.32370	0.4
253.09280	0.7
255.02982	4.6
256.03516	0.6
257.04474	1.1
265.08209	0.4
267.02988	0.3
283.02411	1.3
284.03281	4.9
285.04028	14.8
286.04407	1.4
325.03421	0.6
363.12207	0.4
381.89520	0.3
443.19028	0.5
453.11887	1.9
461.19907	1.2
575.11810	0.4
593.12946	2.0
594.13580	0.6
627.30646	0.4
635.30713	2.1
636.30798	0.6
653.32098	2.6
671.32867	3.3
672.32928	0.7
677.15210	2.4
721.30438	1.4
739.16425	1.5
739.31915	9.8
740.17865	0.4
740.32410	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	739.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.82504	0.1
61.98832	10.3
63.02402	1.4
63.96626	0.1
65.00327	0.7
69.03435	0.2
69.72739	0.1
71.01378	1.0
71.05888	0.4
72.60204	0.1
72.99330	0.2
77.90862	0.2
80.96512	0.4
83.01398	1.2
85.02955	0.2
88.98813	0.5
91.01903	0.2
91.36583	0.2
93.03471	2.2
95.01398	0.3
96.96025	0.2
97.02945	0.1
101.02454	0.3
107.01399	2.9
108.02202	0.2
109.02959	0.8
113.02475	0.3
117.03477	15.0
118.03802	0.4
119.01445	0.2
119.05044	8.2
120.05370	0.2
121.02959	0.6
123.00886	0.3
123.04520	0.3
124.47955	0.1
125.02467	0.2
129.03610	0.1
131.05061	0.5
132.02225	0.2
133.02959	0.3
133.06499	0.1
135.00922	0.6
135.01884	0.1
137.02460	0.6
141.07077	0.3
143.05046	1.1
145.02971	56.7
146.03311	3.2
147.00943	0.3
151.00392	4.6
153.01991	0.2
154.04269	0.5
155.05034	0.5
156.05870	0.3
157.06630	1.0
158.03712	0.4
159.04530	2.0
160.04997	0.2
161.02493	0.2
161.06088	0.5
163.00407	2.2
163.04015	8.5
164.01157	0.6
164.04359	0.5
165.01907	0.4
167.05042	0.5
169.01465	0.8
169.06618	1.2
171.04474	0.8
173.02452	0.3
173.06108	0.5
175.04079	0.2
182.03761	0.3
183.04517	1.2
183.13957	0.2
184.05211	0.2
185.02512	0.3
185.06097	2.4
187.04021	4.4
188.04382	0.4
189.05542	1.1
192.00584	0.2
195.04546	0.6
196.05267	0.3
197.06052	0.7
198.03304	0.3
199.04007	0.9
200.04634	0.2
201.05540	0.8
203.03525	0.2
205.05028	0.6
209.11839	0.9
210.12135	0.4
211.04008	2.1
212.04701	0.6
213.05579	1.9
214.02658	0.5
215.03470	0.5
215.07120	0.2
217.05066	0.8
223.04077	0.3
227.03503	6.9
227.07162	0.5
227.12939	0.3
228.03944	0.6
229.05048	9.9
230.05460	0.5
235.06122	0.2
239.03499	1.4
240.04219	0.9
241.05009	1.3
243.03000	0.5
245.08138	0.1
255.02966	13.0
256.03503	2.3
257.04523	5.6
258.04913	0.5
263.03836	0.1
267.02853	0.8
268.03732	0.2
269.04343	0.2
283.02463	2.5
284.03253	9.1
285.04025	100.0
286.04379	9.2
289.07089	1.5
302.15698	0.2
307.08188	2.1
308.08661	0.2
325.03357	0.2
396.99652	0.2
435.10730	0.2
453.11896	21.5
454.12250	3.2
460.64420	0.2
517.31555	3.7
518.32043	0.6
575.11908	3.2
576.12494	0.7
593.13031	4.5
594.13269	0.9
739.16907	7.7
739.31549	0.6
740.17114	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	739.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79428	0.1
59.01373	0.3
61.98832	15.8
63.02411	1.1
65.00316	0.9
71.01389	0.8
72.99326	0.2
78.98627	0.1
79.95743	0.4
80.96519	2.3
81.03465	0.2
83.01385	1.1
85.02959	0.4
88.98821	0.3
89.03988	0.3
93.03462	2.5
94.98083	0.3
95.01402	0.4
101.02448	0.3
107.01403	2.8
109.02966	0.7
116.92846	0.3
117.03480	14.0
118.03822	0.6
119.05042	7.5
120.05464	0.2
121.02957	0.5
123.00897	0.2
125.02444	0.5
130.04254	0.4
131.05040	0.6
133.02985	0.2
133.06566	0.3
135.00890	0.8
137.02449	0.4
141.07170	0.2
143.05055	1.3
145.02975	55.3
146.03325	2.3
151.00381	4.1
152.00737	0.3
153.01924	0.5
154.04280	0.3
155.04977	0.2
157.06580	0.7
158.03746	0.3
159.04526	1.9
161.02475	0.3
161.06091	0.7
163.00386	1.6
163.04027	8.5
164.01216	0.9
164.04324	0.4
164.98656	0.4
165.01956	0.4
167.05005	0.5
169.01505	1.1
169.06648	0.9
171.04526	1.3
173.02420	0.3
173.06090	0.7
182.03714	0.3
183.04523	1.3
184.05161	0.3
185.02472	0.2
185.06110	2.8
187.04027	5.0
189.05577	1.0
192.00656	0.2
195.04523	0.6
196.05272	0.3
197.06035	0.5
199.04034	0.8
201.05603	0.8
205.05054	0.5
211.03993	2.0
212.04706	0.3
213.05598	1.8
214.02753	0.5
215.03438	0.5
215.07056	0.3
217.04993	0.9
225.00830	0.6
227.03511	6.6
227.07010	0.4
228.03899	0.7
229.05051	9.0
230.05362	0.5
239.03426	1.5
240.04276	0.7
241.04961	1.2
243.03049	0.4
255.02977	13.8
256.03558	2.1
257.04529	5.6
258.04901	0.3
259.06180	0.2
267.03061	0.6
268.03732	0.2
269.04584	0.3
283.02524	3.0
284.03253	8.9
285.04034	100.0
286.04391	8.1
289.07071	1.3
303.30069	0.2
307.08282	2.0
453.11887	22.6
454.12320	2.9
475.01120	0.2
492.13397	0.2
502.62350	0.2
575.12067	3.1
576.12054	0.5
593.13123	5.2
594.13324	0.7
739.03601	0.4
739.16791	7.2
739.32080	2.9
740.17261	2.0
740.30389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00937	0.2
59.01376	0.5
61.98832	9.1
62.98534	0.3
63.02396	1.1
65.00336	0.8
65.03952	0.2
71.01399	0.8
71.27995	0.3
71.28332	0.4
74.34636	0.2
77.50869	0.2
80.96526	1.9
83.01393	1.2
88.98799	1.2
91.01907	0.3
91.45773	0.2
93.03466	2.4
94.98135	0.4
95.01339	0.3
101.02486	0.4
103.47464	0.3
107.01411	3.2
108.02230	0.3
109.02995	0.8
113.02477	0.3
117.03480	15.9
118.03812	0.6
119.05045	6.8
119.05902	0.4
121.02981	0.6
123.00977	0.2
123.04568	0.3
125.02423	0.5
130.04253	0.5
131.05038	0.7
133.06667	0.3
135.00873	1.2
137.02470	0.3
143.04997	1.4
145.02974	58.0
146.03313	3.0
147.00900	0.3
151.00397	4.9
152.98634	0.2
154.04276	0.4
155.05046	0.4
157.06598	0.8
158.03714	0.6
159.04532	2.0
161.06088	0.6
163.00401	2.2
163.04024	8.7
164.01160	0.6
164.04428	0.3
164.98674	0.5
165.01891	0.5
167.05019	0.6
169.01480	0.8
169.06601	0.7
171.04526	1.0
171.20824	0.2
173.02423	0.3
173.06113	0.6
176.04926	0.3
183.04492	1.0
185.06093	2.7
187.04021	4.9
187.57552	0.2
188.04387	0.3
189.05563	1.2
192.00656	0.3
195.04565	0.5
196.05260	0.4
197.06085	0.7
198.03171	0.3
199.04135	0.6
201.05577	0.8
205.05087	0.6
211.04012	2.0
212.04712	0.3
213.05643	2.0
214.02643	0.5
215.03511	0.7
217.05086	0.7
223.03976	0.2
225.00856	0.7
226.02776	0.4
227.03522	7.0
227.07140	0.6
228.03896	0.5
229.05060	9.8
230.05319	0.6
239.03481	1.6
240.04210	0.8
241.05067	1.2
243.03017	0.4
250.55568	0.2
255.02974	13.0
256.03577	2.4
257.04523	6.1
258.04858	0.6
267.02991	0.4
269.04691	0.2
283.02484	2.3
284.03253	9.2
284.06400	0.5
285.04041	100.0
286.04376	8.3
286.21863	0.3
287.84811	0.2
289.07169	1.5
307.08243	2.4
453.11899	21.3
454.12234	2.4
575.12006	2.9
576.12372	0.4
593.13135	5.0
594.13538	0.9
601.29993	0.3
695.28857	0.3
739.16882	7.3
739.32257	2.2
740.17218	2.0
740.31744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1171
Annotation	Magnesium lithospermate B
Peak:m/z	Relative Intensity
59.01377	1.8
60.99338	0.2
61.98828	2.7
67.01892	0.3
69.03447	0.3
69.41117	1.9
71.01378	1.4
75.13995	0.2
75.31352	0.2
75.66286	0.2
78.41302	0.2
79.01893	0.3
85.02944	0.8
87.00879	0.4
88.98826	0.5
89.02454	0.8
93.03486	0.2
95.01389	1.2
96.96020	0.3
97.02963	0.5
98.20555	0.4
101.02444	0.6
107.01405	2.2
109.02982	0.4
111.00890	0.7
113.02433	0.4
115.00414	0.2
116.92863	0.3
117.03494	0.5
119.05037	0.6
120.99641	0.3
121.02985	0.3
123.00901	3.6
123.04526	0.3
123.51814	0.2
124.01668	0.6
125.02459	12.4
126.02771	0.5
129.03462	0.3
131.05031	0.6
133.02983	0.6
135.04552	0.3
137.02446	0.5
139.00372	0.6
141.01854	0.3
145.02972	1.6
147.04529	1.4
149.02385	0.4
150.03206	0.4
151.00339	0.6
151.03954	0.3
153.02008	0.3
157.02931	0.8
159.04535	1.8
161.02435	0.6
161.06039	0.2
163.04013	0.8
164.01117	0.4
165.01938	0.5
165.05562	0.4
166.99821	0.4
167.03494	0.4
168.00662	0.4
169.01439	9.4
170.01776	0.5
173.02432	1.8
174.03278	0.3
175.04002	2.2
177.01945	1.2
185.02443	2.8
187.03990	0.8
189.01964	0.9
190.02678	0.5
191.03557	1.5
191.05051	0.3
193.01465	0.4
195.06570	0.4
201.01910	3.6
203.03513	5.8
204.03896	0.4
205.01279	0.4
209.00897	0.5
209.11688	0.2
211.02464	0.8
213.01936	1.1
214.02612	0.5
217.01382	0.5
219.02983	0.7
221.04623	0.5
226.99812	0.4
228.00436	0.3
229.01414	8.2
230.01999	0.9
231.02988	7.2
232.03310	0.4
240.00426	0.3
243.12335	0.6
245.00899	1.7
246.01515	0.3
247.02551	1.4
249.04025	11.9
250.04340	0.7
256.00217	0.2
257.00903	7.4
258.01544	2.6
271.04581	0.4
273.00162	1.1
274.01163	0.9
275.01950	29.7
276.02344	2.5
283.99582	2.5
299.99088	2.5
300.99881	100.0
302.00211	8.3
317.10345	0.5
331.06595	0.3
419.06104	0.8
437.10941	0.6
456.95193	0.2
473.32846	0.3
492.80054	0.3
517.31586	0.7
550.10962	0.2
587.10345	0.6
633.07568	3.9
634.07538	0.8
675.36145	0.9
676.23175	1.0
676.36609	0.7
679.36975	1.0
703.22333	0.5
739.11682	44.0
740.11963	10.6
740.22980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60899	0.1
59.01366	0.6
59.47597	0.1
61.98825	0.1
69.33166	0.9
69.33600	0.6
71.01399	0.3
74.02480	0.2
74.72367	0.1
87.00884	0.2
89.02441	0.2
96.96003	0.2
98.20578	0.3
101.02479	0.2
113.02428	0.2
117.03468	0.2
123.04533	0.2
125.02448	0.6
129.03487	0.2
133.02977	0.2
136.01634	0.2
137.02481	0.1
145.03000	1.0
147.04445	0.2
151.04021	0.1
152.47968	0.1
157.02957	0.6
161.02396	0.2
163.04018	0.6
165.02025	0.2
168.00586	0.2
169.01442	0.5
171.01022	0.2
173.02464	1.1
173.03778	0.2
175.04103	0.2
177.01913	0.2
178.88797	0.1
185.02451	2.3
186.02753	0.2
186.26236	0.1
189.01953	0.3
191.03400	0.3
200.01021	0.2
201.01924	1.8
211.02486	0.6
213.02008	0.3
217.01352	0.3
226.99841	0.5
228.00528	0.3
229.01430	3.3
230.01793	0.2
244.00142	0.2
245.00932	1.1
245.09293	0.4
254.99379	0.2
257.00964	1.6
271.04730	0.7
273.00406	0.3
283.99631	2.7
284.99866	0.3
293.33017	0.1
299.99115	2.3
300.99896	100.0
302.00247	8.8
302.03076	0.2
303.00482	0.4
331.06769	0.4
361.09091	0.1
437.10678	0.7
521.21912	0.2
676.38751	0.1
739.30078	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98861	0.3
54.74372	0.2
55.01857	0.2
56.20151	0.2
57.03439	0.2
59.01385	3.8
61.98834	8.2
63.92108	0.2
67.01871	0.7
69.03458	0.6
70.55492	1.0
71.01392	2.2
72.99311	0.7
73.02954	0.6
73.89137	0.2
79.01894	0.8
83.01401	0.9
85.02954	1.1
87.00892	0.4
88.11947	0.2
88.98808	0.4
89.02448	1.2
95.01388	2.0
95.17998	0.3
96.96019	0.5
97.02969	0.7
99.00878	0.3
101.02455	1.4
107.01404	3.8
109.02943	0.5
110.00076	0.4
111.00885	2.4
113.02453	1.1
119.03429	0.4
119.05062	0.5
121.02948	0.5
123.00902	10.4
123.82619	0.2
124.01779	1.3
125.02464	17.5
125.25469	0.3
126.02779	0.6
127.00403	0.7
130.59238	0.3
135.04482	0.3
136.98863	1.5
137.02481	0.6
139.00391	4.1
139.04005	0.7
140.01192	3.0
141.02011	1.4
145.03004	0.3
149.02408	0.3
150.03194	0.7
151.00392	5.0
151.03999	0.5
152.01146	0.6
153.01987	1.5
153.05504	0.2
156.21628	0.2
161.04576	0.3
161.57916	0.2
163.04062	0.3
165.01950	0.4
165.05583	0.6
166.02750	0.3
166.99875	0.5
167.03497	0.9
168.00661	3.6
169.01448	17.4
170.01793	0.8
173.02434	0.3
179.03542	0.3
180.04385	0.2
181.01399	0.4
181.05087	0.7
182.02126	0.2
183.03006	2.1
185.02400	0.3
195.06677	0.6
197.04590	0.4
199.09705	0.3
203.03491	0.3
211.02510	5.0
212.02930	0.4
227.12801	0.3
229.01424	0.4
271.04630	3.9
272.04880	0.3
275.01923	0.9
276.02252	0.3
300.99930	2.8
302.00241	1.7
313.05698	0.6
387.25433	0.4
410.55109	0.3
469.29581	0.4
473.32718	1.5
517.31580	3.0
587.17419	0.6
675.36188	100.0
676.36560	23.7
679.37280	2.4
738.10437	1.0
738.33783	0.5
739.19177	9.3
739.36938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69563	0.1
54.20501	0.1
55.27969	0.1
59.01376	0.7
61.98831	100.0
62.98523	0.2
63.99250	0.3
64.73324	0.1
71.01390	0.9
71.50607	0.2
73.02953	0.2
78.95916	0.2
78.98606	0.4
79.95742	1.5
80.96522	4.9
81.03450	0.2
81.95319	0.1
82.96103	0.4
85.02949	0.4
87.00877	0.3
88.98813	0.8
94.98103	1.2
96.96029	0.5
96.96977	0.1
97.02946	0.2
101.02450	0.4
106.98117	0.1
116.92877	0.4
117.03469	0.1
121.02919	0.2
122.97588	0.2
125.02453	0.4
134.97571	0.4
145.02951	0.3
148.99127	0.4
152.12897	0.1
152.98640	0.4
161.04471	0.1
164.98627	0.9
165.99039	0.1
169.01390	0.1
174.01913	0.1
183.13907	0.4
184.14339	0.1
196.00630	0.1
197.11824	0.2
198.12111	0.2
206.99686	0.2
209.11784	0.7
210.12155	0.2
211.13406	0.4
225.00729	1.1
225.11339	0.2
226.00966	0.3
227.12900	0.2
229.05035	0.1
255.02965	0.4
271.02502	0.1
283.02191	0.2
284.03238	0.3
285.04022	1.1
517.35620	0.8
560.06653	0.1
608.27972	0.3
609.27930	0.2
675.35529	0.2
679.38824	0.2
692.30420	0.5
720.30115	0.7
721.30554	0.2
738.30878	4.3
739.31030	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	738.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.98831	100.0
62.98534	0.1
62.99256	0.0
71.01394	0.3
72.01729	0.0
73.02949	0.0
78.95910	0.1
83.01425	0.1
85.02986	0.0
89.02459	0.1
90.02823	0.0
101.02468	0.2
102.02854	0.0
113.02421	0.1
119.03532	0.1
124.04868	0.0
125.02461	0.1
162.05022	0.0
163.88916	0.0
167.03546	0.0
171.10324	0.0
179.05623	0.1
197.11867	0.1
207.10240	0.1
209.11852	0.5
210.12297	0.0
211.13443	0.2
225.11404	0.1
227.12865	0.2
235.08340	0.0
236.08630	0.0
253.09358	0.1
275.20282	0.1
277.21912	0.2
278.22098	0.3
279.22427	0.2
280.22604	0.1
291.19666	0.1
293.21210	0.3
294.21600	0.1
309.20740	0.1
323.27469	0.0
397.13580	0.1
398.13788	0.2
399.13931	0.4
400.14285	0.2
415.14304	0.1
416.15027	0.1
417.15057	0.1
418.15396	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96510	0.1
59.01378	0.7
59.16364	0.1
61.98830	100.0
62.98526	0.2
62.99250	0.1
69.03452	0.1
71.01402	0.5
74.65943	0.1
78.95908	0.1
80.02694	0.1
81.03461	0.1
83.01415	0.1
83.05008	0.3
85.02991	0.1
87.00916	0.1
89.02444	0.3
101.02452	0.4
109.06574	0.1
111.08184	0.1
113.02471	0.2
119.03485	0.1
125.02416	0.1
148.72777	0.1
159.14105	0.1
161.04549	0.2
163.11279	0.4
165.12871	0.1
171.10345	0.1
179.05560	0.1
181.12395	0.1
195.13895	0.7
197.11847	0.1
199.13356	0.1
207.10246	0.1
209.11833	10.1
210.12163	0.1
211.13435	1.0
223.13411	0.4
225.11349	0.2
227.12885	1.4
235.08325	0.3
253.09274	1.8
256.13104	0.1
275.20123	0.7
277.21750	0.3
278.22006	0.3
279.22577	0.1
289.17819	0.1
290.18628	0.1
291.19614	0.3
292.19995	0.1
293.21222	8.0
294.21463	0.1
309.20593	0.2
397.13718	0.1
398.13748	0.2
399.14032	0.3
400.14859	0.1
445.20642	0.2
529.29742	0.1
739.41302	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	737.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
61.98833	100.0
62.98530	0.3
62.99255	0.1
63.99257	0.7
69.17342	0.1
71.01397	0.5
73.02949	0.1
78.95919	0.3
78.98606	0.1
79.95750	0.2
80.91726	0.1
80.96532	1.0
87.00913	0.1
88.98821	0.2
89.36807	0.1
94.98181	0.1
96.96052	0.1
96.96993	0.1
98.19803	0.2
107.67419	0.1
109.06593	0.1
115.56452	0.1
116.92915	0.1
136.41991	0.1
148.99139	0.1
152.99689	0.1
163.11418	0.1
164.98618	0.1
171.10388	0.1
197.11858	0.1
199.13458	0.1
207.10381	0.1
209.11880	0.5
210.12187	0.1
211.13365	0.2
225.00806	0.3
225.11453	0.1
227.12677	0.1
241.01309	0.1
251.01982	0.1
253.09598	0.1
284.03201	0.1
305.17169	0.1
422.01819	0.1
471.34839	0.3
472.35294	0.4
473.35608	0.3
474.35611	0.4
661.35852	0.2
719.29907	0.1
737.30579	1.3
738.31403	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58860	0.2
57.03440	1.2
58.00622	0.2
59.01379	6.0
61.98836	3.1
69.03476	0.4
69.47187	0.2
71.01384	4.7
72.99294	0.3
73.02962	0.8
78.95903	0.2
80.02277	0.2
80.02661	1.0
81.03462	1.5
83.01402	0.7
83.05028	4.1
84.02174	0.7
84.05346	0.3
85.02956	1.2
87.00876	1.1
89.02454	2.9
93.03481	0.4
95.01378	0.4
95.05022	1.3
97.02956	1.0
97.06571	0.4
99.00895	0.5
101.02451	4.0
104.34479	0.2
106.04228	0.2
107.05011	0.2
109.06604	3.7
110.03751	0.2
111.00848	0.2
111.08172	8.4
112.08569	0.5
113.02459	1.9
113.06095	0.2
113.09771	0.5
115.89388	0.2
119.03488	0.9
121.06618	0.5
121.10259	0.2
123.04545	0.6
123.08188	0.2
125.02447	0.3
125.06154	0.3
125.09734	0.4
127.11227	0.2
135.08195	1.1
135.11824	0.4
135.42880	0.2
137.09723	0.7
139.11327	0.3
143.03514	0.3
145.05093	0.5
145.10266	0.2
149.09698	0.7
151.11328	0.3
153.09123	0.2
154.80814	0.2
161.04558	1.8
161.09679	0.4
163.11308	5.1
164.11589	0.3
165.12852	2.1
167.10800	1.5
171.10301	0.7
177.12848	2.0
179.05632	0.6
179.10805	1.6
179.14420	0.2
180.11163	0.2
181.12350	0.9
185.11844	0.2
191.10802	0.7
195.13907	6.5
196.14322	0.5
197.11810	0.4
203.14441	0.5
205.12434	0.2
207.10268	11.1
208.10600	0.8
209.11835	74.3
210.12186	5.4
211.13380	0.8
219.17369	0.3
223.13361	0.9
225.11333	5.1
226.11652	0.4
227.12892	12.7
228.13243	0.8
229.44241	0.3
235.08218	3.6
245.18977	0.2
247.20721	1.9
253.09276	11.9
254.09618	0.7
256.13058	0.2
273.18649	1.4
275.20090	1.4
291.19641	100.0
292.19989	10.1
293.21201	13.7
294.21466	1.4
294.26996	0.2
307.19073	0.2
329.21155	0.6
427.19562	0.2
428.09424	0.2
432.14844	0.2
443.19083	0.8
445.20807	1.1
461.20422	1.4
483.31067	0.6
501.31714	0.3
509.27341	0.9
527.28534	8.6
528.28796	1.6
701.40363	0.2
719.40460	1.5
720.40613	0.3
737.28662	0.3
737.41394	5.7
738.41315	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68202	0.8
54.50986	0.7
55.75080	0.7
57.03437	1.2
59.01376	8.6
61.98829	21.3
64.56012	0.7
65.55567	0.8
69.03455	1.8
71.01383	7.5
71.05013	0.9
71.71582	1.2
71.71938	1.3
72.99311	1.5
73.02952	1.3
75.00871	2.9
78.95923	2.2
80.96528	7.4
83.05029	1.4
85.02958	4.5
87.00872	2.6
89.02437	2.7
92.92954	0.8
94.98077	1.3
95.01427	0.9
97.76785	0.9
99.00876	2.6
100.15289	0.8
101.02442	3.2
109.06547	1.2
113.02457	4.6
123.08207	0.8
125.09724	1.8
148.99092	1.2
151.11327	1.9
152.99612	1.7
153.12886	1.4
161.09735	2.9
163.11330	1.0
169.12390	6.7
179.10748	3.7
197.11844	37.8
198.12178	2.4
207.10301	1.5
209.11832	7.4
223.09772	1.2
225.00790	1.6
225.11295	3.0
227.12888	1.1
253.09200	3.0
277.21744	47.5
278.21994	5.3
280.63232	0.9
293.21146	2.3
552.70074	0.9
617.38849	1.8
618.38464	1.1
737.41187	100.0
738.29694	1.1
738.41498	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
57.03436	0.8
58.00606	0.5
59.01377	9.6
59.55000	0.3
61.98831	4.9
66.37950	0.3
69.03450	0.9
69.54912	1.0
69.55333	2.1
70.99404	0.4
71.01383	6.7
71.05015	0.5
72.99336	0.6
73.02953	1.4
75.00858	0.6
78.95899	0.5
80.02670	0.8
81.03462	1.7
83.01411	1.1
83.05035	2.7
85.02942	2.1
87.00890	1.4
89.02447	4.0
93.03488	0.5
94.84779	0.3
95.01402	0.8
95.05045	1.2
96.96043	1.3
97.02969	5.4
97.06629	0.8
99.00907	1.5
101.02456	7.2
107.05058	0.5
109.06606	22.9
110.03757	0.9
110.06928	0.9
111.00876	0.4
111.04527	0.4
111.08176	1.1
113.02463	3.1
113.09718	0.9
119.03509	1.2
121.06610	1.2
121.10282	0.4
123.04525	2.2
125.02457	0.6
125.09715	1.1
129.01892	0.5
135.08182	3.5
136.05312	0.9
137.27333	0.4
141.01973	0.5
142.02733	1.4
143.03455	0.5
145.05060	0.7
145.10243	0.4
149.09703	0.4
161.04581	2.2
161.09769	1.3
163.11308	13.4
164.11665	1.1
165.12863	0.8
167.10754	0.8
171.10287	1.2
177.12979	0.4
179.05583	0.5
179.10777	0.9
179.14450	1.0
181.12393	3.0
182.12672	0.4
183.13914	0.6
185.11736	0.6
189.09270	2.1
193.12451	0.4
195.13910	11.1
196.14467	0.9
199.13393	1.0
205.12354	0.7
205.15909	0.5
207.10268	72.9
208.10580	4.5
209.11833	17.1
210.12207	1.0
211.11415	0.5
211.13400	7.8
212.13733	0.6
223.13400	6.1
224.14064	0.6
225.11310	25.1
226.11632	1.8
227.12912	4.4
228.13631	0.9
231.21198	0.4
235.08237	4.8
243.12408	0.6
245.19078	0.5
247.20811	0.4
253.09268	24.6
254.09624	1.1
256.13013	1.0
263.20062	0.5
265.21729	0.7
275.20132	7.8
276.20404	0.5
279.23358	0.4
281.13974	0.7
283.97873	0.3
289.18051	2.9
290.18256	0.4
291.19644	13.6
292.20038	1.9
293.21213	100.0
294.21545	11.5
294.24930	0.4
299.14944	0.9
307.19119	2.9
311.31030	0.4
439.32458	0.4
443.19247	3.5
445.20801	0.7
447.22885	0.4
457.33539	0.5
461.20331	6.7
462.20605	1.0
483.30997	1.0
501.32172	1.3
509.27725	0.5
527.28503	0.5
529.30365	1.9
530.30896	0.5
543.27997	0.5
631.80847	0.4
719.40637	2.4
720.40479	0.8
737.41296	37.7
738.41632	10.3
748.45929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73689	0.3
55.01876	0.5
55.22661	0.3
57.03445	1.2
58.00589	0.3
59.01374	5.7
59.27932	0.3
59.41863	0.2
61.98832	7.8
69.03459	3.7
71.01386	5.8
71.05027	2.1
71.12701	0.7
72.99310	0.5
73.02960	1.2
75.00889	0.4
75.96529	0.3
80.96507	0.8
83.01407	0.6
83.05016	0.7
85.02950	1.5
87.00906	0.7
89.02467	3.1
95.01425	0.6
95.05038	0.3
97.02964	0.7
97.06593	0.7
99.00901	0.5
101.02458	3.8
111.04537	0.3
113.02479	2.4
116.92885	0.6
118.89999	0.9
119.03513	1.1
120.89713	0.3
123.08176	0.8
125.09731	1.8
137.09700	0.4
145.02965	0.6
151.11296	1.9
153.12898	2.0
161.04523	1.0
161.09735	3.2
169.12355	3.2
179.10789	7.4
180.11122	0.4
197.11838	85.5
198.12202	5.5
204.12387	0.3
205.08656	0.4
209.11737	0.4
211.13345	0.3
223.09763	1.5
225.11263	0.5
235.08287	0.8
241.10829	3.6
253.09271	3.3
275.20041	0.3
277.21719	29.2
278.22089	3.2
459.18503	0.9
477.19949	1.7
617.38763	0.7
701.79065	0.3
737.41284	100.0
738.41602	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	737.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73792	0.7
55.01860	0.9
57.03439	1.8
58.00594	1.0
59.01080	1.5
59.01379	29.7
61.98830	12.8
69.03465	2.0
69.54281	6.3
71.01385	27.8
72.01714	0.7
72.99299	2.1
73.02953	4.1
75.00871	0.9
78.95889	1.0
81.03471	2.2
83.01388	2.7
83.05032	1.4
85.02952	5.2
87.00883	6.2
88.26704	0.7
89.02454	22.1
91.04015	0.9
95.01386	1.4
95.05044	1.4
96.96013	1.0
97.02961	5.6
97.06630	0.8
98.19896	1.7
99.00896	2.5
99.04538	0.9
101.02451	21.6
103.03966	1.1
109.06595	2.5
110.03814	0.8
111.04539	1.9
113.02457	11.0
119.03505	6.2
121.02992	1.2
125.02463	9.7
125.09722	1.3
128.13342	0.7
131.03510	1.1
133.05106	1.0
135.08128	0.9
139.04002	0.8
143.03523	4.3
152.99562	0.8
158.59651	0.7
161.04572	5.0
163.11342	1.9
164.34885	0.8
171.10313	1.4
179.05652	4.3
179.10820	1.7
181.12386	1.7
183.13918	2.1
195.13985	1.9
207.10263	7.6
209.11852	14.8
210.12158	1.6
211.13397	20.6
212.13766	1.5
217.07167	1.1
224.10211	0.8
225.11324	13.1
226.11717	1.0
227.12915	2.3
235.08191	12.5
245.06522	1.0
245.19093	1.4
253.09254	7.8
263.20108	1.0
275.20218	1.3
277.21790	1.1
279.23270	76.6
280.23648	7.8
287.07663	2.8
289.18039	5.2
291.19647	12.9
292.20084	1.4
293.21246	13.2
293.24506	0.6
294.21561	2.1
305.08798	4.0
307.19101	6.1
307.43616	0.8
323.09802	1.0
397.13504	100.0
398.13889	9.0
415.14551	32.8
416.14987	2.6
443.18954	1.8
447.21780	0.8
461.20303	2.4
527.28143	1.2
651.23718	0.8
677.38287	2.4
737.41309	7.4
738.41949	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	737.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75980	0.2
57.03437	0.3
57.18228	0.3
59.01366	1.5
61.98832	4.7
63.96254	1.6
68.03112	0.3
69.03454	1.0
70.89910	0.3
71.01385	8.2
73.02944	1.8
78.98173	0.6
78.98598	6.8
79.95255	0.5
79.95740	15.6
80.96523	80.8
81.03455	1.2
83.01378	0.6
83.05036	0.7
85.02959	3.6
87.00880	3.5
89.02441	0.3
94.98096	19.6
96.96022	1.4
97.02962	2.0
99.00884	0.9
99.04553	0.3
101.02452	2.7
106.98098	3.6
108.18637	0.3
116.78377	0.3
122.97601	4.1
125.02467	4.0
125.03303	0.5
127.04019	1.2
133.27913	0.3
134.97592	5.9
136.99159	1.9
146.97568	0.4
148.99152	7.8
152.97426	0.5
152.98653	7.8
161.04596	0.4
163.11354	0.3
164.98645	15.2
165.12773	0.5
165.98898	0.4
167.00177	0.7
179.00122	0.5
183.13922	2.0
188.98643	0.4
206.99696	3.7
209.11852	5.8
210.12102	0.5
225.00737	30.8
226.01057	0.7
227.12901	0.5
283.04913	0.9
301.16599	1.5
507.70599	0.3
509.16852	4.5
510.16846	0.6
682.54407	0.4
687.32642	0.4
737.30731	100.0
738.31042	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	737.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
61.98831	27.7
62.98547	0.3
63.96239	1.6
69.03449	0.7
70.87176	0.4
70.87503	0.8
71.01387	9.6
72.99324	0.5
73.02941	2.2
78.98598	6.9
79.95741	17.0
80.96521	81.6
81.03447	0.5
83.01392	0.5
85.02966	2.9
87.00879	3.5
94.98093	17.9
96.96005	1.8
97.02975	2.0
99.00887	0.7
101.02445	2.8
106.98104	3.9
112.62486	0.3
113.02474	0.5
122.97605	4.2
125.02456	4.3
127.03989	1.0
134.97598	5.5
136.99168	1.8
146.97484	0.7
148.99146	7.3
152.98650	7.9
164.98648	16.6
165.12845	1.2
167.00133	0.5
178.99982	0.4
183.13928	8.7
183.15524	0.6
184.14203	0.4
188.98648	0.4
206.99687	4.2
209.11823	1.3
211.13359	0.5
225.00743	30.7
226.01018	1.2
227.12936	0.6
243.01920	0.4
281.03302	0.4
283.04889	0.6
341.05460	0.8
465.17535	0.5
509.17044	3.5
607.27765	0.6
674.35052	0.6
691.30463	0.4
719.29871	2.8
720.29437	0.5
737.30737	100.0
738.31079	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86852	0.4
59.01373	2.7
61.80539	0.4
61.98831	100.0
63.96238	1.2
63.99269	0.7
69.03465	1.0
69.46977	1.8
69.47404	1.6
71.01385	10.1
72.99340	0.5
73.02941	2.4
75.00867	0.4
78.95910	1.3
78.98595	7.1
79.95264	0.8
79.95741	20.3
80.96523	82.2
81.03477	1.4
83.01389	0.7
83.05025	0.4
85.02957	4.1
87.00880	3.1
88.14378	0.4
88.98839	0.7
89.02453	0.7
94.98094	17.7
95.01399	0.6
96.96023	5.0
96.96989	0.6
97.02959	1.5
97.23022	0.4
99.00889	1.1
99.54352	0.4
101.02464	4.0
106.98103	3.5
109.02940	0.4
113.02466	1.2
116.48539	0.4
120.12612	0.4
122.97585	4.7
125.02458	4.2
125.09745	1.4
127.04016	1.2
134.97598	6.3
136.99110	2.0
148.99159	7.1
152.98631	7.8
161.04535	0.6
164.98645	14.6
165.12846	1.5
183.13899	8.5
184.14226	0.7
185.11751	0.4
188.98749	0.6
196.78262	0.5
197.11852	0.9
198.12296	0.4
206.99680	4.1
209.11818	3.1
210.12294	0.5
211.13387	1.3
221.07036	0.4
225.00739	30.4
225.14899	0.5
226.01112	0.9
227.12823	0.8
241.00447	0.4
244.17133	0.6
254.09927	0.4
255.03191	0.4
270.18646	0.6
283.05151	0.6
285.04004	0.6
291.19547	0.7
341.05566	0.6
432.27350	0.4
458.29422	0.8
473.35669	0.5
493.17511	0.9
509.17108	3.7
510.17172	0.5
515.33734	0.6
607.27844	1.8
635.26532	0.6
674.34143	1.0
675.35693	0.6
691.30054	1.5
694.34473	1.5
719.29425	4.2
720.29449	1.1
735.27454	0.4
737.30713	95.2
738.30261	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	736.378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98832	100.0
62.98531	0.1
71.01401	0.2
78.95911	0.1
80.96535	0.1
83.05067	0.1
85.02945	0.1
98.20632	0.1
101.02461	0.1
109.06622	0.1
119.08671	0.1
119.39852	0.1
140.80949	0.1
163.11415	0.1
171.10281	0.1
175.75801	0.1
183.13980	0.1
207.10297	0.3
209.11865	1.0
211.13420	1.0
211.15326	0.1
212.13753	0.5
213.14044	0.2
225.11325	0.2
227.12936	0.3
235.08257	0.1
253.09309	0.2
273.47723	0.1
284.03906	0.1
289.18207	0.1
291.19577	0.6
293.21280	0.1
309.20801	0.1
614.45636	0.1
736.40112	0.1
737.29468	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	736.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00631	0.1
59.01375	1.6
60.01705	0.1
61.98830	100.0
62.98528	0.2
62.99273	0.1
69.03448	0.1
71.01388	2.0
71.72590	0.1
72.01749	0.2
72.99327	0.2
73.02950	0.3
76.86263	0.1
78.95928	0.3
80.96508	0.1
83.01406	0.1
85.02970	0.4
87.00904	0.3
89.02446	1.3
90.02785	0.1
95.01414	0.1
95.69533	0.1
97.02977	0.3
99.00902	0.1
101.02458	1.3
101.03064	0.1
109.03017	0.1
109.06617	0.3
111.04560	0.1
113.02465	0.6
114.02769	0.1
119.03531	0.3
125.02476	0.6
143.03514	0.2
152.99635	0.2
161.04619	0.3
163.11304	0.3
171.10294	0.2
179.05603	0.3
179.10776	0.1
195.13960	0.2
207.10260	0.6
208.10629	0.1
209.11856	0.9
210.12265	0.1
211.13377	1.1
212.13768	0.1
221.06636	0.1
225.11316	1.8
227.12920	0.3
235.08272	0.6
236.08594	0.2
245.57460	0.1
253.09247	0.5
257.91537	0.1
275.20111	0.1
277.21750	2.1
278.22061	2.0
287.07596	0.1
289.18118	0.6
291.19653	0.4
292.19720	0.1
293.21167	0.9
305.08878	0.1
306.09103	0.1
309.20786	0.1
397.13531	3.1
398.13852	2.5
399.14166	0.2
399.23602	0.1
415.14624	1.1
416.14819	0.9
417.15256	0.1
443.18985	0.1
461.20538	0.3
676.36316	0.1
718.39124	0.2
719.39117	0.1
736.41071	0.1
737.41138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98830	100.0
62.98540	0.2
71.01383	0.3
78.95929	0.1
79.95754	0.2
80.96512	0.4
89.02465	0.1
94.98088	0.1
96.96047	0.1
101.02468	0.1
108.88776	0.1
113.02433	0.1
125.02470	0.1
163.11292	0.1
164.98682	0.1
175.18205	0.1
183.14009	0.1
197.11877	0.2
207.10329	0.2
209.11830	0.7
210.12160	0.1
211.13422	0.5
212.13797	0.1
223.13391	0.1
225.00719	0.1
225.11327	0.1
227.13048	0.1
253.09280	0.1
265.53619	0.1
290.99780	0.1
291.19727	0.1
309.20709	0.1
414.82001	0.1
655.34039	0.1
665.29218	0.1
673.34320	0.1
691.30664	0.2
719.30133	0.1
736.36194	0.2
737.32996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.4
59.01375	1.4
61.98832	100.0
62.98537	0.4
63.99268	0.3
68.79977	0.2
69.03455	0.2
71.01389	2.3
72.99334	0.3
73.02955	0.5
78.95926	0.4
78.98618	0.3
79.95749	1.3
80.02696	0.3
80.91697	0.3
80.96520	3.7
81.03419	0.2
83.01392	0.2
83.05035	1.4
83.92857	0.2
85.02983	0.5
85.49866	0.2
87.00919	0.3
88.69458	0.2
88.98833	1.1
89.02464	1.0
94.98113	0.7
96.96041	0.7
101.02448	1.2
104.56068	0.2
106.98136	0.2
109.03021	0.2
109.06643	0.3
113.02489	0.7
116.92897	1.2
116.93583	0.2
122.97637	0.3
125.02509	0.4
134.97650	0.3
138.38974	0.2
148.99171	0.3
151.88145	0.2
152.98648	0.3
161.04594	0.6
163.11320	0.7
164.98671	0.7
165.12817	1.4
169.12422	0.5
171.10248	0.3
181.12341	0.2
183.13916	15.5
184.14294	1.1
191.10722	0.3
197.11830	5.3
198.12184	2.3
207.10373	0.5
208.15817	0.2
209.11835	16.6
210.12166	2.5
211.13542	1.0
225.00751	0.9
225.11389	0.5
227.12891	2.7
228.13330	0.5
229.30545	0.2
235.08232	0.5
237.15038	0.4
253.09306	1.5
255.03055	0.2
332.05389	0.2
434.21274	0.5
445.21149	0.5
453.30579	0.3
463.21857	0.4
493.17197	0.2
513.62347	0.2
655.33496	0.4
673.34607	22.0
674.34924	4.7
719.29742	1.1
721.71429	0.2
736.29456	0.5
737.30640	5.0
737.42554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.341
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98532	0.2
62.99287	0.1
70.55686	0.2
70.56076	0.1
95.93735	0.1
96.34968	0.1
154.29973	0.1
199.39316	0.1
209.11966	0.1
210.12242	0.1
238.62993	0.1
282.33405	0.1
303.90033	0.1
729.58368	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	736.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
57.03445	0.3
59.01377	3.2
61.98833	6.7
67.01896	0.6
69.03469	0.5
69.49139	2.8
71.01379	2.2
72.99300	0.3
73.02946	0.6
79.01893	0.7
83.01396	0.5
85.02951	1.1
88.98783	0.3
89.02441	0.7
95.01418	1.5
95.07792	0.2
97.02981	0.5
98.20576	0.5
101.02448	1.2
105.21949	0.2
107.01399	3.2
110.00097	0.2
111.00905	2.0
113.02454	0.7
121.02980	0.2
123.00904	9.1
124.01657	0.9
125.02462	14.0
127.00388	0.8
136.98817	1.0
137.02486	0.3
139.00395	2.7
140.01192	2.1
141.01949	1.3
147.04506	0.3
151.00392	5.4
151.03996	0.5
152.00705	0.3
153.01913	0.6
163.04021	0.4
167.03513	0.3
168.00684	3.0
169.01443	17.2
169.12318	0.6
170.01758	1.0
181.01471	0.3
193.01411	0.3
197.11847	1.5
201.11360	1.0
209.11844	1.1
211.00616	0.5
211.02496	5.6
227.12842	0.3
241.14569	0.3
260.52435	0.2
271.04550	3.7
272.04828	0.3
275.01770	0.4
300.99982	1.5
313.05673	1.1
515.30096	0.4
643.33295	1.6
644.33716	0.3
673.34601	100.0
674.34906	22.1
705.33545	0.7
718.29364	0.3
737.24323	0.4
737.37335	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	736.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.4
60.09180	0.4
61.98837	8.1
67.01920	0.5
69.03464	1.5
71.01391	5.0
71.74084	0.6
71.74454	0.6
72.99331	1.0
73.02950	1.3
74.25949	0.4
79.01907	1.0
81.03502	0.5
83.01413	0.8
85.02983	1.4
87.00907	1.1
88.98850	0.6
89.02460	1.4
92.00630	0.4
95.01407	2.2
97.02986	1.5
98.02493	0.5
99.00906	0.7
101.02455	2.9
107.01410	7.9
109.02979	0.7
111.00936	2.8
111.01601	0.6
113.02482	2.5
119.03483	0.5
120.99722	1.4
121.02995	0.9
122.03767	0.9
123.00908	10.8
124.01687	0.8
125.02470	47.1
126.02831	1.3
127.00392	1.2
128.98390	0.5
134.03726	0.5
135.04561	0.9
136.98828	0.9
137.02473	1.6
137.54437	0.6
139.00412	3.3
139.04018	1.2
140.01180	3.3
141.01967	1.3
144.00308	0.4
145.05145	0.7
146.03830	0.6
147.04619	0.5
149.02478	0.9
149.06090	0.8
150.03244	2.2
150.99278	0.8
151.00400	8.0
151.03995	1.0
153.01933	0.5
161.02501	0.5
161.04626	0.8
163.04056	0.5
164.04823	0.9
165.01976	0.7
165.05602	2.1
166.99806	0.6
167.03508	1.2
167.07162	8.5
168.00674	4.5
168.07471	2.7
169.01453	62.9
170.01776	2.7
173.40828	0.4
179.03534	0.7
179.05676	0.7
179.07114	1.0
180.04291	1.2
181.01357	0.6
181.05028	1.1
183.03001	3.0
194.05806	0.7
195.03198	0.6
195.06656	1.6
209.08237	1.4
210.08508	0.7
211.02458	1.3
211.85429	0.4
221.06622	0.5
223.02567	0.5
241.03561	1.8
269.08194	3.0
270.08395	0.5
271.04675	0.7
273.37039	0.4
281.08032	0.8
283.09854	2.0
299.09286	1.9
300.10022	0.7
300.99866	1.0
311.09268	2.7
312.09387	0.9
313.05673	17.8
313.12976	13.5
314.05859	1.6
314.13611	7.8
315.12482	2.3
326.11377	2.3
327.07541	1.1
327.12094	1.1
329.14053	4.0
333.40082	0.5
341.13855	1.3
344.12100	0.5
347.95148	0.4
359.14630	0.6
503.18091	0.5
515.30225	0.5
559.20178	0.7
673.21619	100.0
674.21875	24.3
701.26520	1.6
736.28693	3.0
736.40070	1.0
737.29865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54940	0.1
59.01355	0.1
61.98832	100.0
62.98543	0.2
70.14065	0.1
103.98430	0.1
173.46812	0.1
196.01413	0.1
209.11859	0.4
211.13423	0.2
227.12645	0.1
471.34824	1.4
472.35223	0.2
665.51361	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	735.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
61.61864	0.3
63.96237	1.5
69.03442	0.4
71.01384	7.2
73.02961	2.0
78.95903	0.4
78.98593	6.9
79.95262	0.6
79.95740	11.4
80.96522	76.0
81.03447	0.7
82.96130	0.3
83.01380	0.5
85.02944	2.9
87.00880	2.5
94.98097	15.9
95.01379	0.4
96.96036	1.6
97.02962	1.7
98.20741	0.6
99.00909	0.4
99.04537	0.4
101.02449	2.6
106.11292	0.3
106.98107	3.4
113.02506	0.5
122.97589	4.8
125.02454	3.5
127.04000	0.9
134.78482	0.3
134.97624	5.7
136.99170	1.7
146.97632	0.4
148.99156	6.1
152.98656	6.5
164.98648	11.7
166.67751	0.3
169.12257	0.5
188.98651	0.5
197.11893	1.6
203.27788	0.3
206.99651	3.2
211.13232	0.4
225.00737	22.3
226.01109	1.0
255.23299	2.5
256.23358	0.6
329.23340	0.4
479.16040	3.9
537.27319	1.3
728.42285	0.4
735.40002	100.0
736.40375	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	734.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36409	0.1
59.01389	0.5
61.98833	100.0
62.32244	0.1
62.98535	0.2
62.99257	0.1
67.43756	0.1
71.01393	0.2
80.96527	0.2
83.05042	0.2
87.00919	0.1
88.98837	0.2
89.02459	0.1
96.96075	0.1
98.20612	0.2
101.02456	0.1
116.92891	0.3
117.49207	0.1
125.02476	0.1
165.12843	0.2
169.12425	0.1
197.11821	0.5
199.13506	0.2
207.10384	0.1
209.11838	3.2
210.12181	1.3
211.13423	0.3
225.11388	0.1
227.12903	0.7
228.13300	0.3
235.08350	0.1
253.09390	0.1
273.36279	0.1
445.20761	0.1
446.21054	0.1
471.34604	0.1
485.29303	0.2
513.28113	0.1
671.32544	0.1
734.37689	0.2
735.29309	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59938	0.1
59.01379	2.3
61.98833	100.0
62.98525	0.2
63.95550	0.1
68.66010	0.2
69.03477	0.2
70.47415	0.4
70.47806	0.4
71.01388	2.4
71.01745	0.2
72.99335	0.2
73.02953	1.3
83.01408	0.3
85.02959	1.2
87.00894	0.4
89.02451	1.5
94.00062	0.2
95.01418	0.3
97.02985	0.2
101.02463	3.0
107.01414	0.7
109.02980	0.2
113.02460	1.1
119.03508	0.9
120.01276	0.4
121.02956	0.2
122.03761	0.4
123.00896	0.2
125.02477	2.8
131.03531	0.2
134.03784	0.6
135.04558	0.4
143.03548	0.3
145.05109	2.3
145.06253	0.3
146.03763	0.9
147.04550	0.5
149.02477	0.4
149.06136	0.7
150.03236	1.2
151.03647	0.3
159.03069	0.3
161.04616	1.9
161.05988	0.4
162.03304	0.2
164.04784	0.6
165.05576	1.1
166.06071	0.3
167.07146	0.8
169.01439	3.9
169.02769	0.3
179.05666	2.9
179.07198	0.7
195.06631	0.9
196.06946	0.2
209.11884	0.2
221.06685	0.6
227.12971	0.4
247.08159	0.8
257.04230	0.2
259.33722	0.2
275.02072	0.2
301.00049	0.4
301.93979	0.2
313.12906	1.7
392.30432	0.2
404.28217	0.2
407.42270	0.2
473.16666	0.4
474.17810	0.5
475.18243	1.0
508.19128	0.5
517.18829	0.2
529.19238	2.4
530.19733	0.4
583.26184	0.2
623.23962	0.6
635.23987	0.6
653.24603	4.4
653.34766	0.3
654.25323	0.7
671.25616	6.6
672.26141	1.4
686.26270	0.5
734.27106	0.7
735.27380	3.3
735.39862	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95492	0.4
53.97477	0.4
59.01362	1.6
60.89677	0.4
61.98840	3.4
71.01378	0.6
71.27440	0.9
78.95898	0.5
80.10239	0.4
80.96519	1.1
87.00888	0.7
127.80506	0.5
152.99670	0.6
196.89449	0.4
255.23386	0.7
256.23837	0.6
277.21591	3.7
287.79086	0.5
310.89417	0.5
320.22510	0.6
400.00940	0.5
407.33145	0.5
455.35275	100.0
456.35641	17.4
456.42059	1.0
569.85840	0.5
595.05023	0.5
733.39349	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	734.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01584	0.3
55.01885	0.3
57.03466	0.3
59.01383	2.2
61.98830	12.5
65.00316	0.4
67.01891	0.8
69.03463	1.1
70.57166	1.2
71.01391	3.4
72.99304	0.5
73.02962	0.6
79.01888	0.8
81.03483	0.4
83.01399	1.1
85.02954	1.4
87.00906	0.5
89.02427	0.6
93.03461	0.4
95.01369	1.6
97.02956	0.9
98.20641	0.3
99.00876	0.3
99.41702	0.3
101.02466	1.9
107.01405	8.1
108.02251	0.5
109.02961	1.4
109.83052	0.3
111.00888	2.3
111.04420	0.3
113.02472	1.2
113.75930	0.3
114.48463	0.3
120.99663	0.5
121.02969	0.7
122.03746	0.5
123.00900	10.5
123.04505	0.5
124.01774	1.6
125.02464	49.3
126.02802	2.2
127.00368	0.8
136.01675	9.3
136.98860	1.0
137.02475	1.9
138.03235	0.5
139.00391	3.1
139.04047	1.5
140.01201	3.2
141.01936	1.1
147.04578	0.3
149.02461	0.6
149.06050	0.3
150.03247	0.8
151.00391	7.0
151.04021	9.7
152.00845	0.6
152.04379	0.5
153.01929	1.0
163.00398	2.1
163.03944	0.4
164.04810	0.5
165.01974	0.7
165.05586	1.3
166.02759	0.5
166.59360	0.3
166.99867	0.6
167.03516	1.2
167.07170	1.5
168.00638	4.6
169.01442	63.1
170.01796	2.6
175.03992	0.7
176.04762	0.6
177.05643	0.6
179.03542	0.8
179.07240	0.4
180.04352	0.3
181.01480	0.4
181.05038	0.6
183.03004	5.3
191.07140	0.8
193.01469	0.7
193.05063	0.4
195.06602	0.7
209.04512	0.4
211.02466	1.3
223.02469	0.6
241.03569	1.5
253.03468	1.1
297.06100	0.7
300.99860	0.5
312.04810	0.5
313.05640	21.6
313.11002	1.0
314.06042	1.7
325.10660	0.3
327.07477	1.8
327.12311	2.1
328.12320	0.4
328.89642	0.3
342.10922	0.4
343.11841	1.1
357.13571	0.9
361.16479	0.4
362.16800	0.5
538.12390	0.4
547.19489	0.3
598.09491	0.4
636.19849	0.3
641.18866	0.5
671.19904	100.0
672.20227	24.0
734.33698	0.4
735.27887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66854	0.6
57.03447	3.5
58.00571	0.8
58.81464	0.7
59.01377	14.0
61.98831	14.0
64.08530	0.8
67.01880	0.8
68.99799	0.8
71.01387	16.1
71.27582	1.8
72.99313	6.8
73.02940	1.7
75.00880	21.9
78.95894	0.9
79.43291	0.7
81.03471	0.9
83.01394	1.3
83.05018	2.5
84.02170	1.4
85.02959	22.5
87.00890	6.3
89.02438	3.4
95.01383	4.7
97.02946	0.8
99.00900	12.3
101.02507	1.0
103.00372	2.9
113.02464	20.9
115.00379	2.0
117.01959	2.4
125.09685	2.6
127.11298	3.3
155.10828	1.9
157.01390	1.3
160.32603	0.8
163.11284	1.7
165.09248	1.3
165.12846	0.9
171.10254	2.0
175.02530	1.9
193.03488	1.2
201.09473	1.7
201.11348	34.5
202.11639	2.4
205.07188	0.9
209.11853	34.6
210.12173	2.2
227.12900	3.2
249.06192	1.8
255.23291	44.7
256.23596	5.0
466.79489	0.8
516.62360	0.8
523.47284	0.8
689.41425	9.2
697.41504	1.2
715.42908	46.3
716.43286	12.0
733.43970	100.0
734.44330	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33929	0.1
57.03448	0.2
58.00587	0.2
59.01379	9.1
61.98834	3.9
63.38208	0.2
69.03446	0.6
70.88258	0.4
71.01383	5.6
72.99308	0.2
73.02946	0.4
75.00892	0.2
78.95894	0.2
81.03465	0.2
83.01389	0.3
83.05020	0.5
85.02952	0.5
87.00872	0.4
88.98814	0.4
89.02456	1.1
95.01378	0.2
97.02972	0.4
101.02458	2.0
104.70069	0.1
109.06596	1.0
111.04493	0.2
111.08127	0.2
113.02466	0.9
119.03508	0.4
123.08125	0.2
125.02467	0.4
125.09744	0.4
132.17369	0.2
135.08160	0.3
137.09727	0.2
139.06166	0.2
145.05150	0.3
155.10774	0.3
161.04587	1.0
161.09813	0.3
163.11305	0.9
165.12878	0.2
167.10799	0.3
167.14439	0.6
171.10318	1.2
177.09172	0.2
179.05627	0.4
179.10732	0.2
181.12389	0.5
183.13908	6.1
184.14214	0.4
185.11771	0.3
193.12364	1.7
197.11723	0.2
199.09805	1.3
199.13399	0.2
201.11356	0.3
207.10284	3.5
208.10547	0.2
209.11859	2.8
210.12234	0.2
211.13402	100.0
212.13736	6.7
223.09769	0.4
225.11314	1.8
226.11694	0.3
227.12935	1.3
235.08203	1.8
236.08559	0.3
248.98273	0.2
253.09251	3.7
291.19696	0.5
309.20761	0.2
315.43750	0.2
387.25424	0.2
401.23349	0.7
419.24496	0.3
429.21240	1.6
447.22339	9.9
448.22598	1.5
461.20551	0.7
545.28223	0.2
623.34448	2.3
624.34863	0.5
637.32581	0.6
641.35370	1.6
642.35919	0.7
655.33508	0.9
656.33838	0.3
733.38904	0.7
734.39325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62816	0.7
57.03440	0.8
59.01377	10.8
61.98833	100.0
66.53761	0.7
71.01388	26.1
71.71931	0.9
72.99326	1.9
73.02948	1.8
75.00874	3.6
78.95898	0.8
78.98589	1.2
79.95742	1.5
80.02678	0.9
80.96527	15.7
81.03455	1.2
83.05022	3.9
85.02975	2.4
87.00918	1.7
88.10207	0.8
88.98797	4.4
89.02468	3.2
94.98090	3.2
95.05043	1.1
96.96036	1.4
97.02979	2.8
97.06598	1.1
99.00917	0.9
101.02435	4.6
106.98087	1.1
109.06562	5.6
113.02467	3.2
116.92846	1.4
117.07138	1.4
125.02456	2.5
125.09757	1.8
134.97598	1.5
148.99176	2.0
152.98669	2.0
161.04607	1.8
163.11234	4.3
164.98607	2.2
165.12807	1.4
169.12364	2.2
171.10295	5.8
181.12340	2.0
183.13945	10.9
185.11830	4.9
197.11911	1.7
199.09718	1.8
199.13402	8.1
201.11351	2.9
206.99710	0.9
207.10262	12.7
208.10591	1.3
208.92014	0.8
208.99730	0.8
209.11858	34.0
210.12216	3.1
211.13414	45.9
212.13763	3.5
225.00748	4.7
225.11343	11.8
227.12883	13.9
235.08167	1.8
237.14949	3.0
241.05330	0.9
253.09242	6.1
287.16501	1.4
309.20538	1.0
334.02667	0.9
383.22113	0.9
401.23453	1.8
419.24615	1.4
443.18869	1.6
445.20706	1.9
447.22202	1.2
461.20282	3.7
518.31781	1.0
637.32599	3.3
638.32220	1.6
655.33087	5.8
656.33899	1.9
701.37488	2.9
733.29626	15.3
734.30768	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	733.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
56.62893	0.4
57.03441	0.7
58.00599	0.6
59.01379	27.5
61.36317	0.4
61.98830	11.0
69.60325	1.0
69.60729	4.0
71.01386	59.8
72.01729	1.0
72.99295	0.8
73.02938	2.1
77.79366	0.4
78.95896	2.4
80.02639	0.7
80.96535	0.6
81.03455	1.6
83.01378	0.7
83.05025	2.1
85.02967	2.6
87.00890	2.6
89.02445	3.6
95.01431	0.6
95.05022	1.2
97.02967	3.3
97.06613	0.7
99.00882	1.9
101.02457	5.9
109.06599	9.8
110.03741	0.6
113.02451	3.4
113.09777	0.5
119.03519	1.2
123.04499	0.6
125.02415	0.7
125.06031	0.6
125.09762	1.9
127.11227	0.5
135.08202	1.1
136.05325	0.7
142.02739	0.7
143.03502	0.6
145.05087	1.1
151.11278	0.5
152.99602	0.6
161.04555	2.6
161.09756	0.9
163.11316	7.3
165.12857	1.7
167.10773	0.7
167.14375	0.6
171.10265	6.0
172.10561	0.6
179.05627	0.8
181.12433	2.7
183.13928	8.4
183.66434	0.4
184.14301	0.7
185.11804	1.9
189.09247	0.7
193.12456	2.2
197.11870	0.9
199.09792	1.2
199.13382	5.1
201.11320	3.7
207.10272	31.7
208.10622	2.4
209.11847	22.9
210.12215	1.5
211.13399	100.0
212.13748	7.0
213.14899	0.6
215.12982	1.1
223.13322	0.6
225.11324	19.6
226.11668	1.3
227.12889	17.3
228.13199	1.1
229.14563	0.7
235.08241	5.2
243.12387	1.3
247.13420	0.7
249.15125	0.5
251.12827	0.9
253.09273	10.4
254.09828	0.6
255.54567	0.5
293.21194	1.5
294.21625	1.8
299.14948	0.6
339.23364	1.3
357.24576	0.8
373.23846	2.4
375.25549	0.7
383.22247	3.3
384.22635	0.7
391.24850	2.6
401.23441	7.4
402.23599	1.0
419.24310	3.9
420.25107	0.6
443.19247	2.3
447.22382	1.7
461.20251	5.3
462.20663	0.7
463.21817	1.8
475.27139	0.5
609.33118	1.6
637.32349	7.9
638.32861	1.8
653.33978	0.5
655.33392	12.3
656.33972	4.3
673.35089	2.1
733.40997	2.6
734.42059	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92761	0.2
58.00592	0.3
59.01376	2.5
59.94315	0.2
61.98833	25.6
69.41639	2.1
71.01394	1.9
73.02959	0.6
80.02685	0.9
80.63650	0.2
80.96513	0.2
81.03471	0.8
83.01389	0.3
83.05035	4.0
84.02169	0.5
84.33446	0.2
85.02940	0.5
87.00866	0.4
88.98795	0.3
89.02451	1.0
95.05038	0.6
96.96016	0.3
97.06651	0.3
101.02461	1.5
109.06614	0.4
113.02448	0.8
116.92823	0.5
119.03479	0.4
125.02452	0.4
125.06104	0.5
125.09735	1.2
135.08122	0.4
145.05125	0.3
161.04572	0.8
163.11308	3.1
164.11632	0.2
165.12857	1.9
169.01385	0.2
171.10297	0.3
179.05661	0.3
181.12347	0.3
183.13927	0.3
185.11830	0.4
187.09717	0.8
191.10748	1.0
197.11887	0.3
199.13393	1.2
207.10201	0.3
209.11839	100.0
210.12178	7.6
211.13487	0.3
213.14917	0.8
227.12898	14.1
228.13264	1.1
235.08240	1.3
253.09273	4.9
285.04037	0.4
287.56342	0.2
303.43448	0.2
401.23911	0.2
445.20929	2.7
446.21194	0.3
449.68216	0.2
463.21954	0.4
637.23181	0.2
637.32196	1.0
655.33929	0.4
673.42816	0.3
733.40906	1.7
734.39801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.4
59.01379	19.3
60.40966	0.5
61.98834	13.3
71.01389	13.7
71.73358	1.0
72.99326	1.4
73.02953	2.0
83.01412	1.3
85.02964	4.4
87.00890	2.5
89.02461	9.7
93.03476	4.3
95.01393	2.2
99.00877	1.2
101.02467	8.5
109.02950	1.4
111.00888	1.7
113.02460	4.8
119.03503	3.9
120.01299	0.8
121.02999	6.2
122.02898	0.7
122.03758	14.0
123.00925	1.1
123.04536	1.6
124.01665	0.8
125.02472	2.3
129.92123	0.5
132.02208	1.3
133.02982	2.6
134.03806	0.9
135.04565	1.8
136.01697	2.8
136.05310	0.6
137.02475	2.1
143.03589	0.6
145.02925	0.9
146.03822	1.1
147.04532	0.9
149.02467	25.8
149.06032	2.8
150.03244	100.0
151.03694	4.5
153.01981	0.8
153.05583	0.7
158.03766	0.7
159.04478	0.8
160.01674	1.2
161.02483	1.2
161.04651	0.9
162.03276	2.6
162.06877	1.1
163.07622	0.7
164.04790	5.9
165.05586	78.8
166.05951	3.9
167.07135	1.3
169.01465	2.0
175.04036	0.8
177.02063	0.6
177.05556	3.2
178.84573	0.6
179.03621	0.7
179.05641	1.8
180.04321	6.3
180.07898	1.5
181.05032	1.2
181.08736	1.9
193.08659	0.8
195.06641	26.8
196.07050	1.6
208.07451	0.7
209.08168	1.8
212.04813	2.3
227.03496	1.2
228.04129	1.4
237.07614	0.7
238.02699	0.6
243.10208	0.8
251.07097	1.8
253.04951	0.5
254.05719	0.6
256.03760	10.5
257.04233	1.0
265.04825	0.7
266.05618	0.7
267.06641	1.0
269.08127	0.9
270.05548	0.7
271.09860	1.7
275.02032	0.6
279.06628	1.1
281.08139	1.4
283.06116	0.8
283.09747	1.8
284.07141	1.1
286.08591	0.8
291.06604	0.6
292.07321	3.1
293.08224	1.1
294.08664	0.9
295.06125	1.0
295.09467	0.6
296.06888	1.0
297.07739	1.8
297.11447	0.5
298.08261	1.0
299.09256	1.9
307.09650	1.0
309.07712	1.0
310.08408	2.5
311.09253	5.6
311.12762	0.9
312.09998	3.1
313.10498	1.0
315.08688	1.6
325.11099	3.1
326.11511	1.7
327.08716	3.4
327.12448	2.6
328.09338	1.0
329.12814	0.7
330.10938	2.7
339.08749	0.9
341.14014	1.8
342.11230	2.0
343.11917	1.8
345.13318	7.0
346.13913	0.7
357.13394	11.5
358.13840	0.9
359.11356	0.8
370.12851	6.0
371.13364	1.1
383.13760	0.9
459.12732	0.9
461.15720	0.6
471.12988	0.8
472.14014	1.2
473.14743	2.0
474.16025	0.6
475.17520	0.8
477.14087	2.5
478.14859	0.8
487.16440	1.1
489.13824	7.8
490.14948	1.2
492.16364	8.8
493.18567	2.7
504.16254	3.7
505.18097	7.2
506.18222	2.4
507.18686	52.8
508.19141	7.0
519.18701	29.9
520.19098	5.2
535.20197	0.9
537.19879	2.2
553.20905	4.1
554.21289	0.8
571.21509	1.3
655.24005	7.6
656.24860	1.2
667.24036	20.3
668.24506	4.2
671.26062	1.4
685.25232	54.6
686.25623	11.9
715.26318	3.8
716.26324	0.8
733.27240	52.6
734.27551	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	732.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.1
61.98831	100.0
62.98532	0.2
70.42741	0.2
70.43079	0.1
71.01401	0.1
73.87959	0.1
75.00874	0.1
88.98839	0.1
95.26479	0.1
95.52529	0.1
109.06596	0.1
116.15537	0.1
117.07135	0.1
125.09695	0.1
148.31448	0.1
169.76642	0.1
171.10309	0.2
209.11859	0.6
210.12100	0.1
211.13431	0.1
223.13394	0.1
224.13718	0.1
227.12895	0.1
423.51877	0.1
563.84406	0.1
733.38409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.1
61.98831	3.9
68.33064	0.2
71.01386	0.8
71.73828	0.2
72.99308	0.3
83.01394	0.6
85.02979	0.3
87.00890	0.2
88.98821	0.7
89.02483	0.3
93.03471	0.3
101.02453	0.5
107.01414	0.4
109.02980	0.3
111.00840	0.3
113.02455	0.3
116.92886	0.3
117.03461	0.3
120.99717	0.2
121.02991	0.3
122.03747	0.3
122.34483	0.2
123.00896	0.7
123.04546	0.3
124.01704	0.3
125.02466	3.2
137.02469	0.5
139.00397	0.3
141.02039	0.2
145.02942	0.5
149.02495	0.2
150.03229	0.6
151.00363	0.4
151.04007	0.4
153.53508	0.2
157.02963	0.3
161.02516	0.3
163.03972	0.4
165.01971	0.3
165.05566	0.5
166.02711	0.2
168.00668	0.3
169.01443	4.2
170.90485	0.2
172.01682	0.6
173.02422	0.4
177.02013	0.3
179.03578	0.4
179.07254	0.3
180.04324	0.2
181.05127	0.5
182.05896	0.3
183.02950	0.3
185.02452	1.4
191.03450	0.2
195.06624	0.5
197.08214	0.7
200.01202	0.6
201.01962	1.2
209.12025	0.3
213.01988	0.2
216.00623	0.6
217.11043	0.2
226.99852	0.5
227.12971	0.4
228.00688	0.7
229.01428	2.5
242.99347	0.4
244.00130	1.2
245.00890	0.6
247.69170	0.2
257.00861	1.5
270.98871	0.4
271.99677	0.7
273.00232	0.2
282.98907	0.4
283.99612	1.4
298.98322	0.5
299.99121	25.9
300.99875	100.0
302.00220	8.6
313.05667	1.1
357.13522	0.3
361.16559	0.3
372.59869	0.2
445.04337	0.4
505.05466	0.2
553.19672	0.3
612.80615	0.2
643.20245	0.7
671.19922	5.3
671.32324	0.5
733.19971	26.0
734.20282	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	732.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66965	0.1
59.01383	0.6
61.98830	100.0
62.98543	0.2
69.35608	0.2
69.36014	0.8
71.01388	0.3
72.24282	0.1
80.96525	0.2
83.05072	0.1
85.02974	0.1
88.98824	0.2
89.02470	0.2
96.96032	0.1
97.03008	0.1
98.20612	0.2
101.02479	0.2
109.06628	0.2
113.02477	0.1
116.92883	0.1
117.47962	0.1
125.02533	0.1
138.40080	0.1
159.84772	0.1
161.04543	0.1
171.10330	0.3
183.13881	0.2
194.83357	0.1
197.11858	0.2
199.13388	0.2
207.10335	0.4
208.10722	0.1
209.11827	1.3
209.13698	0.1
210.12209	0.1
211.13367	0.2
225.11345	0.3
226.11362	0.1
227.12930	0.3
341.23569	0.1
397.13431	0.1
437.30762	0.2
517.31622	1.7
518.32306	0.2
652.10504	0.1
732.47601	0.1
733.31342	0.2
733.48120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
58.00585	0.5
59.01379	16.9
61.98830	53.1
66.00617	0.5
69.03438	0.8
70.00499	0.6
71.01386	8.4
71.05046	0.7
71.68853	0.6
72.99313	0.6
73.02939	1.8
75.00915	1.0
80.02679	1.1
81.03455	1.9
83.01402	1.8
83.05033	5.8
84.02171	1.4
85.02950	3.2
85.27350	0.6
87.00859	1.3
88.98798	2.4
89.02456	5.5
93.03526	0.6
95.01346	0.9
95.05034	0.7
96.96027	2.5
96.96939	0.7
97.02962	5.5
97.06615	1.6
99.00883	7.3
101.02454	6.1
106.04279	0.6
109.06612	6.2
110.03751	1.2
113.02467	2.9
116.92871	1.7
119.03522	1.6
125.02448	1.8
125.09731	2.4
135.08160	2.1
136.05338	1.1
137.02402	1.2
142.02769	1.0
143.03477	0.6
145.02997	0.6
151.07719	1.3
161.04581	1.9
161.09715	0.9
163.11305	12.1
164.11703	0.9
165.12862	2.9
169.01486	1.2
171.10266	1.5
179.05695	1.3
179.07101	1.2
179.10872	0.8
181.12366	11.7
185.11784	0.8
191.10822	1.0
197.11871	1.4
199.13422	0.8
207.10280	40.5
208.10666	2.9
209.11842	100.0
210.12167	7.3
221.11813	0.6
225.11322	64.7
226.11702	5.0
227.12892	19.9
228.13153	0.6
228.81010	0.6
235.08244	2.4
243.12350	7.3
253.09215	4.5
281.13977	0.6
323.22321	1.0
357.15533	0.6
373.23819	1.3
391.25113	0.9
392.47528	0.7
399.21768	1.2
417.22824	2.2
435.23856	0.7
443.19144	2.9
445.21011	0.9
461.20242	19.5
462.20648	2.5
521.08734	0.6
556.43457	0.8
609.32574	0.7
635.30536	3.3
636.31354	0.6
653.31824	17.0
654.32458	4.3
671.32990	14.5
671.43683	5.9
672.33331	3.1
672.43866	1.5
699.31549	0.7
731.36084	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	731.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
57.03441	1.0
58.00599	3.7
59.01382	73.0
60.01725	0.8
61.98846	0.7
62.51043	0.3
71.01389	54.9
71.73222	0.4
72.01723	1.2
72.99317	4.5
73.02951	1.4
75.00872	0.8
83.01392	2.5
85.02962	9.5
87.00872	3.3
87.01247	0.3
89.02456	64.6
90.02780	1.5
93.03442	0.4
95.01414	3.2
96.96037	0.9
97.02960	0.5
99.00880	0.7
101.02457	30.4
102.02824	0.5
103.49684	0.3
107.01416	0.5
107.03510	0.3
109.17927	0.5
113.02468	23.0
114.02785	0.5
117.03497	1.1
119.03522	26.7
119.04928	1.1
120.03876	0.5
121.02978	1.6
123.00900	0.8
125.02458	2.1
131.03517	3.4
135.04550	0.4
137.02489	0.5
139.00342	0.4
143.03532	6.8
145.02972	4.6
146.03305	1.1
147.04544	100.0
148.01678	0.5
148.04900	4.8
149.02505	0.7
149.04576	2.4
161.02545	0.5
161.04576	9.4
161.05879	0.3
162.03186	0.4
163.04074	1.1
164.04791	0.9
165.01979	1.1
165.05603	0.8
169.01469	1.6
170.97458	0.3
179.05637	36.2
180.06001	1.1
191.03624	0.5
191.05681	0.4
195.06660	0.4
209.04549	1.5
231.03015	0.5
241.14365	0.6
249.04221	0.5
268.51913	0.5
275.01910	1.3
301.00000	2.3
325.09180	0.9
326.09631	0.7
327.10867	90.4
328.11172	9.1
390.12585	0.4
521.20251	1.1
528.99255	0.4
569.22375	1.1
714.47229	0.4
731.21771	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	730.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98610	0.1
59.01382	0.3
61.98830	100.0
62.98530	0.2
68.36234	0.1
68.73588	0.1
71.01396	0.4
71.67247	0.2
75.00899	0.3
78.95926	0.1
80.96535	0.2
85.02969	0.2
93.68160	0.1
95.01386	0.1
99.00924	0.3
111.27158	0.1
113.02462	0.4
137.55432	0.1
171.10336	0.4
172.10783	0.1
207.10185	0.2
209.11879	0.3
253.21817	0.6
255.23315	0.7
277.21924	0.2
278.22198	0.2
281.24918	0.2
554.89777	0.1
687.40503	0.2
713.41882	0.5
731.42657	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	731.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03452	1.3
58.00588	3.3
59.01379	72.4
60.01714	1.0
70.95811	0.3
71.01386	52.3
72.01721	0.7
72.99306	3.4
73.02962	1.0
75.00859	0.4
79.56919	0.3
83.01378	1.8
85.02961	7.9
87.00879	3.0
89.02454	64.9
90.02801	0.7
95.01400	3.8
96.96026	0.4
97.02950	0.5
98.20725	0.7
101.02456	28.3
102.02838	0.5
107.03522	0.7
113.02467	21.6
119.03516	24.4
120.03819	0.4
121.02976	0.6
125.02475	1.6
131.03543	3.4
139.00369	0.6
143.03523	6.8
145.02972	0.6
147.04539	100.0
148.04892	5.3
149.04561	2.6
161.04572	8.3
161.05855	0.7
165.01831	0.4
167.03673	0.4
169.01434	0.7
179.05629	34.4
180.05888	0.9
211.02525	0.5
271.04630	1.0
275.02087	0.6
300.99960	0.8
327.10858	89.3
328.11221	6.0
383.13223	0.4
439.35532	0.4
515.87573	0.4
731.20758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08592	0.1
52.60463	0.1
54.99345	0.1
59.01366	0.3
61.98832	100.0
62.98534	0.3
65.55875	0.1
69.52158	1.2
71.01387	0.3
72.99275	0.2
75.00883	0.4
80.96535	0.5
85.02960	0.2
95.01393	0.1
98.95348	0.1
99.00941	0.2
103.00469	0.1
113.02475	0.4
124.45084	0.1
134.22989	0.1
151.85823	0.1
157.01396	0.2
171.10353	0.3
199.09758	0.1
201.11415	0.2
209.11966	0.1
225.00735	0.2
225.11449	0.2
233.88562	0.1
239.66035	0.1
242.62067	0.1
255.23238	0.7
674.84015	0.1
713.41150	0.6
731.41724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.2
57.03450	0.3
58.00601	0.5
59.01381	15.7
63.53210	0.1
71.01385	9.6
71.50969	0.2
71.51310	0.2
72.01707	0.2
72.99314	1.3
73.02948	0.3
75.00877	0.3
83.01393	0.6
85.02947	1.9
85.03363	0.2
87.00894	0.7
89.02452	9.2
89.42466	0.1
95.01408	0.8
99.00882	0.4
101.02457	6.7
103.05688	0.2
106.84020	0.2
109.02962	0.4
112.85867	0.1
113.02471	3.5
116.26026	0.2
119.03514	3.8
119.05009	1.7
120.05316	0.2
123.00911	0.2
125.02458	1.1
131.03543	0.3
137.02451	0.2
143.03494	0.3
145.02914	0.2
147.04538	54.1
148.04884	2.4
149.04570	0.2
149.06090	0.2
161.02452	0.2
161.04683	0.3
161.06079	0.3
165.05580	8.0
166.05951	0.4
169.01457	0.5
175.04124	0.2
177.01889	0.2
179.05624	0.9
191.05617	0.2
207.06731	0.3
214.79382	0.1
220.92262	0.2
249.04063	0.2
289.07068	0.3
300.99939	0.4
327.10846	100.0
328.11169	8.8
328.15155	0.3
407.07678	0.3
467.53577	0.3
468.04214	0.2
729.23560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	32.8
61.72291	2.1
61.98830	69.3
69.03454	2.4
71.01383	13.8
71.21938	4.6
72.99299	3.2
75.00880	3.6
80.02666	2.7
81.03452	7.5
83.05029	6.7
85.02966	5.5
87.00892	3.4
88.98796	4.7
89.02446	6.3
95.05044	2.6
96.96030	6.1
97.02955	12.6
99.00880	2.2
101.02444	9.2
107.05027	3.1
109.06607	50.9
110.06877	3.2
113.02457	6.0
116.91234	3.1
121.06561	4.5
125.09727	9.3
134.69400	2.5
135.08145	6.3
142.02707	3.2
143.00278	2.5
161.04671	3.8
161.09743	4.6
163.11292	27.9
171.10217	2.9
175.11444	2.2
179.10854	2.4
181.12347	8.0
185.66403	2.1
187.09741	3.3
189.09183	3.0
201.11211	3.3
205.08675	2.7
207.10271	100.0
208.10518	4.2
209.11775	17.1
211.13370	9.5
223.09781	4.2
223.13383	3.0
225.11307	49.4
226.11665	5.7
229.50369	2.3
235.08209	5.3
253.09248	10.9
285.03931	2.8
309.20764	2.6
350.81244	2.6
371.18301	3.2
371.22510	4.8
389.19479	2.6
397.20160	7.4
415.21252	15.7
433.22189	6.2
461.20108	14.4
517.31763	5.7
570.18518	2.6
597.29181	4.0
607.27490	13.5
608.27783	4.0
622.42010	2.8
625.28687	26.2
626.29352	8.1
633.29218	11.7
651.30243	67.2
652.30695	15.1
669.31183	31.0
670.31274	11.2
708.23212	2.6
729.36218	3.1
738.34839	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	727.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.2
58.00588	0.2
59.01379	14.3
60.01706	0.2
60.99279	0.2
61.98833	9.3
69.54992	0.3
69.55396	0.9
71.01392	1.6
72.99314	0.3
73.02946	0.7
75.00872	0.3
83.01382	0.1
85.02952	0.4
87.00864	0.2
88.55021	0.1
88.98814	0.9
89.02451	1.1
95.01421	0.2
96.96009	0.3
101.02446	1.2
111.00858	0.2
113.02461	1.0
115.00393	0.3
116.92889	0.9
119.03514	0.5
123.00913	0.3
125.02448	0.5
125.44003	0.1
133.01451	0.5
145.00708	0.1
149.04636	0.2
150.03197	0.2
151.04053	0.1
161.02467	0.2
161.04568	0.4
163.04021	0.4
165.05551	0.3
169.01419	0.5
174.01689	0.2
177.01950	0.1
178.06357	0.4
193.08646	0.2
201.11279	0.2
209.11829	0.8
214.83223	0.1
225.29951	0.1
285.04001	0.3
301.00101	0.2
323.07828	0.2
488.10132	0.2
505.35306	100.0
506.35660	19.1
519.37000	0.6
547.36493	1.1
548.36871	0.3
565.25562	0.2
667.39966	2.8
668.40509	0.6
692.32703	0.2
727.43451	2.7
728.43011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
59.01381	19.7
60.01729	0.3
60.69999	0.2
61.98836	1.2
62.99616	0.2
70.35747	0.2
70.97388	0.7
71.01384	2.6
71.01701	0.3
73.02967	0.7
78.95910	0.7
82.59279	0.2
83.01411	0.3
83.05049	0.4
85.02971	0.9
87.00901	0.6
89.02465	1.2
90.21502	0.2
93.25568	0.2
101.02449	2.0
113.02480	1.0
119.03497	0.4
125.09749	0.6
127.11292	1.7
143.03511	0.2
145.05081	0.3
152.99629	0.6
153.09229	0.2
161.04651	1.4
171.10301	90.4
172.10655	4.1
179.05588	0.2
183.13954	0.2
197.11852	0.5
209.11839	3.1
210.12123	1.7
211.12500	0.6
219.49358	0.2
227.12848	0.3
228.13208	0.3
233.22679	0.5
235.08279	3.6
236.08522	0.3
253.09291	8.2
254.09636	0.8
255.23256	1.6
259.20670	0.5
277.21732	100.0
278.22073	9.4
279.23322	3.8
280.23654	3.5
281.24005	1.6
389.18127	0.3
407.19156	1.4
513.30817	1.4
514.31317	0.4
709.39270	1.4
727.42975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
57.03440	0.5
59.01378	8.4
60.01707	0.5
60.99303	1.0
61.98831	100.0
69.03472	0.6
71.01389	3.8
71.05054	0.6
71.67847	0.6
72.99326	1.0
73.02958	1.4
75.00849	0.5
83.01397	0.8
83.05022	0.6
85.02954	1.8
87.00938	0.7
87.92828	0.4
88.98817	4.2
89.02462	2.5
89.02936	0.3
93.03494	0.6
95.01413	0.5
96.96033	1.6
101.02456	2.7
107.01479	0.4
109.02958	0.4
109.36247	0.4
109.76286	0.3
111.00915	0.4
113.02456	1.9
116.92895	0.9
119.03544	0.7
123.00934	1.2
124.01704	1.3
125.02464	3.9
135.04568	0.9
136.01669	0.6
137.02496	0.8
138.95224	0.3
143.03517	0.4
146.03806	0.7
147.04338	0.4
149.06125	0.5
149.99614	1.4
150.03342	0.8
151.04053	0.8
152.01210	0.4
161.04555	0.9
163.04073	0.4
163.11369	0.6
165.05608	0.9
168.00656	2.5
169.01477	2.2
171.10371	0.6
177.02007	0.6
179.03508	0.5
179.05714	0.6
179.07187	0.5
193.08907	0.4
201.11354	9.9
202.11603	0.7
209.11852	35.0
210.12177	2.8
219.04053	0.4
227.12894	9.4
228.13240	0.6
235.06181	0.6
235.08359	2.2
246.09167	0.4
253.09329	3.5
265.24316	0.4
299.99112	0.7
301.00006	0.5
325.11343	0.8
361.18875	0.4
391.03244	0.5
393.23627	0.4
419.19168	0.5
437.20667	1.3
445.20694	6.6
446.21255	0.7
463.21976	0.6
489.35709	0.8
503.33691	3.1
504.33997	5.4
505.34763	13.8
506.35342	1.4
559.33691	0.4
611.31128	0.6
629.32355	1.3
637.33179	1.0
647.33337	0.9
655.34497	0.6
667.39685	3.2
668.39386	0.7
694.33801	0.4
727.32849	11.8
728.33069	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	727.283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48753	0.6
51.49020	0.6
55.01864	1.5
57.03455	0.7
58.00585	0.7
58.06285	0.6
59.01380	26.5
61.98833	11.3
69.03436	0.7
69.33519	0.6
69.58126	6.4
71.01389	14.0
71.81885	0.6
72.20258	0.6
72.99294	1.7
73.02946	3.5
76.95204	0.7
83.01391	2.4
85.02960	5.0
87.00877	1.9
89.02460	6.6
95.01398	1.2
99.00900	1.7
101.02460	9.8
109.02978	1.1
111.00848	1.8
113.02451	4.7
119.03526	2.1
121.02969	3.3
123.00871	1.7
125.02454	3.1
141.01903	0.9
143.03484	0.7
145.02986	1.8
149.02536	1.1
150.03218	2.3
151.03993	0.9
159.04497	1.7
161.04652	1.7
165.01930	1.0
165.05548	1.1
169.01419	3.0
177.19748	0.8
179.05637	3.0
195.06664	1.7
211.02448	1.5
225.07671	1.4
267.06659	1.0
268.07455	1.9
269.08133	3.2
270.08990	0.9
271.04550	1.9
275.01920	0.8
279.08746	0.9
281.08170	5.6
281.37805	0.7
282.08960	2.3
283.09753	3.6
287.09286	1.5
293.08102	1.1
295.09647	2.5
296.10416	2.0
299.09271	2.0
300.09937	1.2
301.00031	1.4
302.08102	0.8
309.11414	0.8
311.09485	3.2
312.09894	1.1
314.08191	1.1
314.11475	6.0
315.12088	3.2
326.11505	7.4
327.12408	5.3
329.10278	1.1
329.13947	12.0
330.14325	1.3
331.07007	1.3
341.13907	10.4
342.14371	1.6
343.11899	1.8
355.11951	3.0
385.14893	1.1
427.65106	0.7
461.14331	1.0
473.14587	2.0
476.16882	10.5
477.16925	1.5
488.16785	6.8
489.17245	1.1
491.19199	100.0
492.19589	16.5
503.19202	72.6
504.19498	11.4
505.31671	0.7
521.20288	51.1
522.20526	8.0
630.05017	1.2
667.31604	2.2
727.27380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2838
Annotation	Cherinonaine
Peak:m/z	Relative Intensity
53.16077	0.5
55.01891	0.5
56.83804	0.6
57.03461	0.8
58.00603	0.7
59.01378	15.8
60.67171	0.5
60.99295	1.2
61.98830	60.3
69.03464	6.0
69.53532	1.5
69.53962	3.6
71.01384	10.4
71.04991	0.5
72.99313	1.5
73.02943	2.7
75.00889	1.0
81.03476	1.7
83.01406	3.1
83.05032	0.7
85.02961	4.6
87.00909	1.3
87.04559	0.7
88.98814	11.4
89.02444	5.1
90.17273	0.5
93.03487	0.9
95.01404	4.4
96.96017	2.2
97.02958	5.7
99.00896	1.4
101.02458	7.6
107.01398	2.5
107.05057	0.8
108.02181	1.3
109.03004	1.6
111.00901	1.0
111.04502	0.8
113.02453	3.8
116.92869	1.9
117.92950	0.6
119.03520	1.6
120.55987	0.6
121.02955	1.9
123.00900	12.0
123.04527	0.7
124.01682	26.1
125.02464	75.8
126.02798	2.5
133.01428	0.7
133.03006	1.0
134.03813	0.5
135.04544	5.0
136.01668	0.9
137.02496	4.3
145.02959	1.3
146.03760	2.0
149.02486	1.1
149.06137	0.7
149.99603	44.3
150.03233	0.9
151.00424	6.4
151.04042	0.7
152.01022	0.6
161.02443	1.8
161.04579	1.3
161.05969	0.8
163.04066	0.7
164.04843	0.9
165.02007	1.0
165.05592	1.4
166.02657	0.7
166.99843	1.5
167.03500	2.3
168.00658	82.4
169.01404	12.1
170.01736	0.8
175.04039	0.7
177.05681	0.6
179.03545	1.9
179.05731	0.8
179.07129	2.4
181.01399	1.2
190.02763	0.9
191.03583	0.6
195.06607	0.9
199.13280	0.6
201.11229	0.8
205.05171	0.8
209.11801	7.4
227.12930	3.3
235.17075	1.5
253.09163	0.9
255.23912	0.5
283.53891	0.5
285.03894	0.8
299.99014	0.7
313.05698	2.1
314.05597	0.6
315.01294	0.8
318.26849	0.6
325.11392	1.5
341.09497	0.6
359.11386	2.0
359.27914	1.1
401.12344	1.5
412.10059	1.5
445.20950	1.1
461.14627	1.2
505.35327	42.5
506.35651	7.2
531.22369	1.4
547.20837	2.2
547.35083	1.6
549.23438	9.1
550.23846	0.9
565.35516	1.4
637.31592	0.8
655.33875	0.6
667.39600	6.9
668.40216	1.7
727.28320	100.0
727.41113	19.8
728.28772	26.7
728.41431	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	727.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59002	0.6
55.01876	1.6
55.39206	0.7
57.03450	6.5
59.01380	33.6
61.98827	0.7
67.01891	2.2
68.99819	1.6
69.03460	9.8
71.01388	24.4
71.24918	1.6
72.99318	2.9
73.02958	12.0
79.01862	0.8
79.98788	0.7
81.03473	4.2
83.01404	5.5
83.05038	2.4
85.02430	1.7
85.02960	57.9
87.00887	100.0
88.01229	1.7
89.02459	1.7
93.03471	6.1
95.01401	20.9
97.02962	28.8
98.03255	0.8
99.00892	2.8
99.04539	3.9
101.02464	2.7
103.04018	8.2
108.02205	1.6
109.02967	9.3
111.00895	8.3
111.04481	1.0
113.02467	17.3
115.00391	10.4
115.04013	1.5
121.02955	1.1
123.00893	1.7
123.04533	1.7
125.02434	3.5
127.04036	16.4
128.04311	0.9
129.01968	2.1
135.04465	0.8
137.02440	3.7
139.00403	15.0
139.03961	0.8
141.05577	1.3
145.05084	5.9
149.02437	0.8
151.04013	1.1
153.01979	1.8
154.61230	0.6
155.03513	3.1
157.01442	9.7
163.03961	1.1
167.03528	0.9
169.01396	1.1
169.05052	2.3
171.03006	2.0
172.44672	0.7
173.04558	2.5
175.02496	53.5
175.79350	0.7
176.02866	1.8
177.02022	0.8
179.03560	1.2
181.01428	1.7
185.48628	0.6
191.05612	0.8
199.02495	35.3
200.02771	1.7
217.01450	1.5
217.03540	20.5
229.01396	0.8
234.38701	0.7
241.03578	1.7
241.07140	1.1
249.03838	1.2
250.92912	0.7
273.00348	0.8
275.01868	1.5
285.06116	2.5
300.99960	3.6
301.05649	1.1
303.07257	19.1
304.07489	1.1
310.52408	0.7
321.08261	6.7
323.13522	1.1
345.08231	9.8
346.08691	1.3
387.09335	20.7
388.09683	2.0
405.10400	8.9
406.10776	0.9
419.12027	2.3
457.01736	0.9
460.50928	0.8
466.02878	3.0
466.52774	0.9
468.12091	0.8
475.30881	0.7
500.54224	0.7
521.11609	0.9
547.10944	2.6
563.12451	2.2
581.13733	1.6
596.26392	0.9
623.14612	6.9
624.15497	1.1
667.17096	1.3
685.18500	2.8
709.18530	16.2
710.19049	3.5
727.19623	25.1
728.20361	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	726.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
60.99303	0.3
61.98830	100.0
62.98517	0.1
62.99251	0.1
68.63509	0.1
71.01380	0.8
71.66553	0.1
73.25401	0.1
78.95924	0.3
80.96520	0.2
88.98816	1.7
89.02462	0.5
96.96030	0.3
101.02459	0.2
109.03041	0.1
116.92860	0.2
140.88144	0.1
163.11325	0.1
165.02052	0.1
182.82710	0.1
183.13927	0.2
186.55672	0.1
197.11896	0.2
199.09743	0.3
207.10281	0.3
209.11784	1.4
210.12106	0.2
211.13367	0.9
212.13812	0.2
225.11340	0.4
227.12971	0.2
281.61060	0.1
302.07031	0.2
501.32159	0.7
502.32687	0.7
503.32819	0.9
504.33127	1.1
505.34753	0.1
667.44000	0.1
697.22821	0.2
726.36127	0.6
727.36511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
60.99315	0.3
61.98832	100.0
62.98535	0.1
69.03455	0.1
71.01379	0.5
71.75519	0.2
78.95914	0.2
85.02972	0.2
87.00914	0.1
88.98815	1.2
89.02467	0.4
89.15520	0.1
101.02499	0.2
106.46989	0.1
108.72652	0.1
113.02505	0.1
137.02466	0.1
151.00401	0.1
153.91058	0.1
171.10277	0.1
183.13972	0.1
197.11885	0.2
199.09799	0.1
201.11353	0.1
207.10295	0.1
209.11855	1.0
210.12350	0.3
211.13438	0.9
212.13812	0.1
218.64722	0.1
225.11357	0.3
227.12921	0.2
253.09361	0.1
257.36368	0.1
501.32022	0.7
502.32770	0.9
503.32877	0.9
504.33173	1.2
517.30566	0.2
598.54749	0.1
655.33948	0.2
726.35968	0.5
727.24371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33894	0.1
57.03443	0.2
59.01379	1.2
61.98832	100.0
62.98558	0.1
62.99257	0.1
71.01381	0.9
71.09048	0.3
72.99326	0.1
73.02953	0.1
75.00876	0.1
75.93240	0.1
78.95891	0.1
83.05057	0.1
83.67027	0.1
85.02966	0.3
88.98810	0.7
89.02466	0.4
95.01406	0.1
96.96049	0.2
99.00912	0.1
101.02456	0.5
113.02474	0.2
116.92909	0.3
125.02472	0.1
125.72263	0.1
171.10365	0.4
171.85146	0.1
179.05594	0.2
199.13490	0.1
207.10315	0.1
209.11858	1.5
210.12225	0.2
225.11244	0.5
226.11647	0.1
227.12900	0.7
235.08278	0.1
253.09236	0.2
264.49066	0.1
303.66156	0.1
327.21872	0.2
328.22183	0.2
439.92123	0.1
458.33865	0.2
459.33945	0.3
460.34531	0.2
502.32065	0.3
503.33359	0.3
504.33569	0.6
636.31976	0.1
637.32660	0.2
655.34296	0.1
663.38281	0.1
665.38873	0.3
666.38513	1.0
667.40143	0.5
672.33551	0.2
726.32672	0.2
727.33789	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12489	0.1
59.01377	0.5
61.98833	100.0
62.98527	0.2
62.99258	0.1
63.99266	0.2
67.98161	0.1
71.01393	0.4
71.05056	0.1
72.99332	0.1
73.02968	0.1
78.95927	0.2
83.01368	0.1
85.02990	0.1
87.25964	0.1
88.98830	0.2
89.02473	0.2
95.01405	0.1
96.96036	0.1
99.00918	0.1
101.02464	0.2
109.06589	0.1
113.02489	0.1
116.92927	0.1
119.03592	0.1
123.06437	0.1
135.30699	0.1
138.05258	0.1
139.69156	0.1
171.10423	0.1
179.05675	0.1
185.11862	0.1
197.11940	0.1
204.96524	0.1
207.10307	0.3
207.59395	0.1
209.11858	0.6
210.12259	0.1
211.13522	0.2
225.11446	0.2
227.12958	0.2
235.08287	0.1
253.09448	0.1
300.99774	0.1
306.15536	0.1
390.03024	0.1
457.33398	0.1
458.33768	0.2
459.34262	0.2
460.34198	0.2
487.34201	0.1
502.32870	0.2
503.33420	0.3
504.33566	0.3
506.71451	0.1
621.77777	0.1
649.40417	0.1
654.32617	0.1
655.33307	0.1
663.36743	0.3
664.37988	0.1
666.37964	0.6
726.37134	0.2
727.36359	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	726.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15706	0.1
55.01865	0.1
59.01383	1.6
60.99287	0.1
61.98831	100.0
62.98539	0.2
63.99254	0.1
71.01389	2.1
71.67104	0.2
73.02953	0.2
73.88972	0.1
75.00866	0.1
78.93166	0.1
78.95920	0.1
79.95768	0.1
80.02670	0.1
80.96511	0.1
81.03458	0.1
83.05032	0.6
84.02184	0.1
85.02972	0.3
87.00917	0.2
88.98828	0.7
89.02456	0.5
89.95162	0.1
92.91952	0.1
93.03538	0.1
95.05034	0.1
96.96029	0.2
97.02970	0.2
99.00883	0.1
101.02467	0.8
109.06599	1.2
110.06952	0.1
111.00990	0.1
113.02480	0.4
114.98116	0.1
116.92896	0.3
119.03539	0.2
123.04478	0.1
125.02464	0.2
125.06102	0.1
125.09753	0.2
125.83299	0.1
127.11358	0.1
135.08200	0.2
138.79181	0.1
143.03557	0.1
161.04677	0.2
161.09793	0.1
163.11301	1.0
164.11624	0.3
165.01868	0.1
165.05682	0.1
165.12888	0.3
171.10280	0.5
179.05682	0.1
181.12349	0.2
185.11888	0.2
191.10870	0.1
197.11993	0.1
199.13580	0.1
201.11313	0.1
204.07727	0.1
205.12202	0.1
207.10274	3.4
208.10596	0.9
209.11848	10.5
210.12187	3.2
225.00833	0.1
225.11327	2.1
225.13531	0.1
226.11702	0.7
227.12933	2.2
228.13249	0.6
235.08295	0.3
253.09279	1.0
254.09720	0.2
357.13571	0.1
399.21899	0.1
400.21970	0.2
417.22906	0.1
431.24670	0.1
441.29953	0.1
445.20883	0.2
461.20349	0.5
462.20688	0.3
483.31339	0.2
501.32346	0.8
502.32706	0.1
503.33728	0.1
504.33771	0.2
505.35608	0.1
518.31934	0.2
613.74481	0.1
636.31879	0.2
653.32391	0.2
654.32428	0.3
655.33643	0.2
663.37891	0.4
666.39740	0.1
667.40222	0.1
671.33289	0.3
672.33575	0.6
673.34326	0.4
709.32330	0.1
726.32581	0.3
726.36682	0.3
727.32935	0.5
752.75061	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	726.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42831	0.1
57.81739	0.1
59.01376	1.4
59.56096	0.1
61.98829	100.0
62.98534	0.3
71.01382	0.8
71.70345	0.1
71.70743	0.1
73.02964	0.3
75.00871	0.2
78.95926	0.3
80.91689	0.1
82.95414	0.1
85.02971	0.3
85.06585	0.1
87.00887	0.2
88.98821	0.8
89.02468	0.4
96.96019	0.2
97.02978	0.1
101.02453	0.5
113.02477	0.4
116.92902	0.2
119.03546	0.2
121.02995	0.3
125.02473	0.3
125.09715	0.1
136.17393	0.1
161.04591	0.2
163.11272	0.2
165.12964	0.2
171.10333	0.2
183.13980	0.1
185.11775	0.1
197.11900	0.2
199.09808	0.2
199.13336	0.1
201.11383	0.3
207.10368	0.3
209.04567	0.1
209.11850	1.2
210.12253	0.4
211.08128	0.1
211.13429	1.3
225.11311	0.8
227.12997	0.3
253.09387	0.4
275.01801	0.1
307.22836	0.2
307.40289	0.1
421.31464	0.2
501.32101	0.8
502.32913	0.3
503.32999	0.3
504.33749	0.3
505.35437	0.5
587.03131	0.2
602.00714	0.1
653.49707	0.1
663.37701	1.9
664.38446	0.5
666.39600	0.2
667.39252	0.2
726.35504	0.7
727.33478	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
58.00602	0.3
59.01380	23.7
60.01724	0.4
60.99309	0.8
61.98833	52.5
63.99268	0.3
69.20631	0.2
69.71317	0.6
69.71730	0.7
71.01394	2.6
72.99322	0.4
73.02958	0.4
75.00867	1.4
78.95905	0.5
83.01405	0.4
83.05051	0.2
85.02948	1.0
87.00890	0.4
88.98819	5.0
89.02458	1.3
95.01419	0.3
96.96029	0.8
98.19823	0.2
99.00887	0.2
99.92605	0.2
101.02457	2.2
109.02981	0.3
113.02473	1.2
116.92883	1.1
119.03495	1.1
121.02951	0.3
123.04588	0.2
125.02497	0.8
125.09605	0.2
127.04025	0.2
137.06073	0.2
143.03514	0.2
149.04712	0.2
150.03288	0.3
151.00314	0.2
161.02443	0.2
161.04588	0.8
163.11252	0.3
165.05638	0.4
167.03529	0.2
168.00644	0.3
169.01469	0.5
171.10281	0.6
179.05664	0.3
195.06645	0.2
199.09863	0.3
207.10300	0.6
209.11861	2.1
211.13466	0.3
225.11314	0.8
227.12962	0.6
253.09300	0.3
285.04095	0.4
300.99680	0.3
325.11447	0.5
327.21777	0.6
485.32526	0.3
502.32437	0.3
503.33762	100.0
504.34076	19.1
517.35046	0.5
533.33142	0.3
545.34503	1.1
546.35065	0.3
589.34045	0.3
599.29309	0.2
609.29181	0.3
627.30286	0.6
635.31073	0.4
645.31207	0.4
653.31915	0.3
662.38055	0.8
665.38470	1.9
666.39667	0.6
671.32874	0.6
707.34052	0.3
725.42249	4.8
726.43689	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
58.00599	0.2
59.01381	32.5
59.19471	0.1
60.01720	0.3
61.98835	5.4
64.53859	0.2
71.01394	2.2
71.01761	0.2
71.05032	0.4
71.72146	0.3
72.99328	0.4
73.02946	0.8
83.01393	0.3
85.02966	0.8
85.06607	0.2
87.00877	0.4
88.98831	0.3
89.02460	1.4
93.63612	0.2
95.01400	0.4
97.02885	0.2
101.02464	1.9
101.03009	0.2
109.02998	0.2
111.00883	0.2
111.04542	0.1
113.02483	1.3
116.92840	0.2
119.03528	1.0
121.02989	0.2
121.11460	0.2
123.00944	0.5
125.02474	1.4
130.08798	0.2
135.04535	0.3
137.02478	0.3
139.00409	0.2
143.03560	0.3
150.03285	0.4
151.04045	0.3
153.01935	0.2
159.85431	0.2
161.04634	0.5
165.05615	0.4
166.99951	0.2
167.03540	0.2
169.01430	1.5
171.10326	0.5
174.01814	0.2
179.05692	0.4
182.02103	0.2
195.06570	0.2
221.06544	0.2
229.14543	0.2
255.02962	0.2
285.04178	0.2
300.99835	0.3
327.21802	2.0
328.22150	0.3
332.09021	0.2
333.09769	0.2
369.25778	0.2
372.63217	0.2
377.28677	0.4
379.30130	0.7
387.26871	0.2
391.13638	0.2
391.30029	0.8
393.31772	0.3
401.28473	0.5
403.29745	0.3
407.29684	0.5
409.31152	4.6
410.31369	0.9
415.14563	0.7
417.27939	0.3
419.29303	0.4
421.31177	1.8
422.31680	0.4
423.29190	0.4
425.30582	0.3
427.32455	0.2
435.28986	0.4
439.32373	0.4
441.33923	2.0
442.34293	0.4
443.31836	0.3
453.30060	3.2
454.30573	0.7
457.33252	1.3
458.33099	0.3
459.34531	0.3
473.32797	1.5
474.33154	0.3
485.32700	4.0
486.33240	0.9
503.33795	100.0
504.34106	19.8
545.34595	1.1
546.34943	0.2
644.21252	0.2
662.21710	1.8
663.22113	0.4
665.30341	0.2
665.39575	1.5
666.39697	0.6
689.83282	0.2
719.51477	0.2
725.25183	0.3
725.42456	1.3
726.40637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03497	0.1
56.47972	0.1
58.00595	0.2
59.01380	37.8
60.01713	0.4
61.98831	5.8
69.51059	1.8
71.01384	2.5
71.05041	0.5
72.99306	0.4
73.02959	0.3
75.00886	0.2
83.01404	0.4
83.05035	0.2
85.02985	0.9
87.00915	0.3
88.04121	0.3
88.98833	0.7
89.02447	1.5
93.03494	0.2
95.01405	0.5
96.96034	0.6
99.00927	0.2
101.02452	1.8
107.01392	0.2
109.03026	0.2
109.06600	0.2
111.00900	0.5
113.02450	0.9
116.92847	1.0
119.03547	0.8
119.05022	0.2
123.00943	0.6
125.02463	1.3
134.03683	0.2
135.04404	0.2
135.08185	0.2
136.01718	0.2
137.02435	0.2
149.02473	0.2
150.03267	0.6
161.04576	0.4
163.04027	0.2
165.05594	0.3
168.00613	0.3
169.01454	1.3
171.10313	0.6
175.02505	0.2
177.01947	0.2
179.05724	0.2
183.02870	0.2
186.02710	0.2
201.11336	0.5
209.11797	1.1
210.12294	0.2
218.56830	0.2
221.06580	0.4
227.12874	0.3
285.04251	0.2
327.21912	0.2
333.10001	0.2
380.76962	0.2
393.31702	0.4
397.31406	0.2
419.29443	0.3
421.30997	0.8
437.30698	0.3
439.32321	0.7
441.33804	4.7
442.34012	0.9
443.31833	0.6
457.33414	0.9
459.34662	1.8
485.32700	7.6
486.33112	1.5
501.31995	0.3
503.33771	100.0
504.34091	19.9
545.34772	2.0
546.35663	0.5
665.28534	0.3
665.39160	5.2
666.39307	1.0
725.25677	0.5
725.39899	2.3
726.40723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03456	1.5
59.01374	6.2
61.91288	0.5
61.98828	6.4
63.67905	0.6
69.03442	1.0
69.58218	4.7
71.01385	6.2
72.37503	0.5
72.99300	4.2
73.02941	1.1
83.05029	1.2
85.02971	2.0
87.00899	1.3
88.98819	2.3
89.02450	3.3
95.05005	0.7
97.06590	2.9
101.02451	4.0
113.02464	2.4
115.92059	0.5
116.92902	1.1
119.03520	1.2
125.02492	0.7
149.09612	0.7
151.11299	14.4
152.11662	0.8
161.04601	1.3
166.26950	0.5
169.12358	84.7
170.12669	4.0
171.10222	1.1
176.02495	0.6
195.10228	1.4
195.13930	4.1
197.11821	1.0
209.11882	1.4
213.11349	9.5
223.13388	2.6
235.08218	1.3
240.10535	0.6
253.09315	3.5
275.20093	3.0
279.23096	0.7
293.21219	11.7
294.21582	1.6
349.45828	0.6
431.19226	1.7
449.20242	5.5
472.19989	0.6
725.41345	100.0
726.28687	1.0
726.41669	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	725.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03455	1.1
59.01377	14.0
61.98829	3.4
69.03454	3.1
69.36421	3.1
71.01380	4.7
71.05019	0.8
72.99305	0.5
73.02956	0.9
78.95900	0.7
83.01376	0.7
83.05045	1.1
85.02952	1.4
85.06584	0.5
87.00890	1.4
87.25305	0.3
89.02454	3.0
93.03500	0.4
95.05011	0.7
97.02972	1.0
97.06586	0.7
99.00884	0.4
101.02462	4.1
109.06601	0.9
111.08163	3.1
113.02451	2.2
116.92873	3.1
119.03504	0.9
123.08163	0.5
125.02439	0.5
125.09739	0.7
137.09776	0.5
141.09242	0.6
143.03490	0.4
145.05072	0.8
149.09770	0.4
151.11365	0.5
153.09230	0.6
153.12927	1.5
161.04585	2.0
161.13353	0.4
163.11307	0.4
165.12875	1.0
167.10783	3.4
169.12358	6.9
170.12633	0.4
171.10283	1.3
177.12891	0.9
179.05626	1.1
179.10793	1.9
179.14384	2.7
181.12305	0.5
193.12355	0.4
195.13908	8.3
195.15739	0.4
196.14383	0.7
197.11838	98.0
198.12181	6.6
199.13422	1.2
205.12349	9.4
206.12730	0.6
209.11868	0.7
211.13347	3.1
223.13396	100.0
224.13716	7.8
224.15785	0.4
225.15070	0.4
227.12903	1.0
235.08231	6.2
247.20592	0.5
249.15157	0.3
253.09274	15.4
254.09570	0.7
263.20209	0.8
265.18112	0.4
273.18494	0.9
283.21863	0.3
291.19638	13.8
292.19998	1.8
293.20966	0.4
309.20706	29.4
310.21024	3.3
359.62570	0.3
411.25473	1.0
429.26508	1.2
433.20734	4.2
434.21173	0.8
441.21274	2.5
442.21680	0.5
459.22321	14.5
460.22812	2.0
489.32483	0.7
527.28717	0.7
543.80945	0.3
545.29364	0.8
621.33075	0.6
647.34424	2.4
648.34656	0.6
662.07227	0.4
665.35437	3.0
666.36017	0.7
725.41229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62220	0.2
57.03437	0.3
59.01379	2.6
61.98832	100.0
62.98540	0.9
62.99244	0.3
63.99263	1.0
66.99100	0.3
69.03481	0.3
69.49528	2.5
71.01382	1.7
71.05045	0.3
75.00929	0.2
78.95930	0.7
80.96550	0.7
82.96122	0.3
85.02969	0.4
85.62574	0.2
88.98824	0.9
89.02463	1.0
99.00864	0.3
101.02490	1.0
109.06577	0.3
113.02449	0.4
116.92892	0.4
117.22408	0.3
121.02996	0.4
125.02478	0.4
125.09803	0.4
132.99467	0.3
152.99626	0.4
161.04582	0.4
165.02008	0.6
171.10410	0.4
195.06657	0.8
197.11853	0.3
199.09819	0.4
201.11218	0.4
207.10358	0.7
209.11838	12.2
210.12233	0.8
211.13419	8.7
211.15331	0.5
212.13786	0.8
225.07784	0.3
225.11351	0.7
227.12929	2.7
235.08234	0.4
253.09436	1.1
291.20038	0.3
397.13651	0.5
431.66074	0.2
445.20877	1.2
447.22662	0.8
499.30847	1.0
500.30890	2.4
501.31448	0.6
502.32248	0.3
503.33209	0.4
517.31909	0.6
639.34418	1.0
657.35229	0.6
665.42310	0.4
671.32874	0.3
725.34784	6.9
726.35516	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81739	0.5
54.16225	0.4
55.01870	0.5
57.03445	0.9
58.00602	0.9
59.01380	9.2
60.99291	0.6
61.98832	5.2
67.04285	0.4
69.03452	0.9
71.01389	7.5
71.56602	0.7
72.47547	0.5
72.99290	0.6
73.02929	1.1
77.16958	0.5
78.95905	0.9
80.02676	0.7
81.03471	0.8
83.01385	0.9
83.05048	2.8
85.02956	1.9
87.00884	1.6
88.98814	4.6
89.02455	4.6
95.05067	0.4
99.04558	0.6
101.02458	6.7
109.06642	0.8
111.08120	0.9
113.02485	4.3
116.45615	0.6
116.92870	1.1
119.03519	1.4
135.08215	0.5
145.05072	1.2
161.04547	2.3
163.11336	2.4
165.12859	3.1
167.10722	0.7
169.12218	0.5
171.10379	0.5
171.13924	0.6
179.05605	1.2
181.12375	1.8
183.13913	7.4
184.14282	0.5
191.10791	1.1
193.12315	1.9
195.13899	3.7
197.11806	2.4
199.13396	15.7
200.13737	0.9
205.80869	0.6
206.18916	0.5
207.10280	0.8
209.11838	63.0
210.12135	4.3
211.13400	100.0
212.13715	8.3
223.13422	3.3
225.11372	0.8
227.12885	49.9
228.13228	4.0
229.14401	1.2
235.08266	4.7
245.13895	1.1
253.09280	24.0
254.09651	0.7
256.13239	0.6
275.20148	4.7
277.21707	77.2
278.22055	8.9
293.21210	65.6
294.21555	7.2
443.35358	0.8
445.20825	2.8
447.22403	5.5
448.22769	0.7
463.21817	10.4
464.21851	1.3
469.33191	2.6
470.33435	0.7
487.34128	0.7
529.30151	0.7
705.42517	0.9
723.42786	6.4
724.42816	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	724.357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.1
58.00603	0.1
59.01381	1.3
61.98833	100.0
71.01392	0.7
72.99369	0.1
78.95904	0.2
79.95755	0.1
80.68333	0.1
80.96537	0.3
82.96088	0.1
83.01414	0.1
83.05005	0.1
85.02969	0.2
87.00919	0.1
88.98829	0.3
89.02459	0.3
96.96073	0.1
100.35451	0.1
101.02464	0.3
104.11033	0.1
113.02479	0.2
116.92934	0.1
119.03537	0.1
171.10391	0.1
179.05748	0.2
197.11757	0.1
207.10326	0.4
209.11893	0.6
211.13376	0.1
213.96620	0.1
225.11391	0.4
227.12999	0.2
251.06136	0.1
372.26178	0.1
419.29456	0.3
437.30368	0.2
457.33179	0.8
458.33585	2.3
459.33759	0.2
483.30826	0.1
484.32016	0.2
499.30521	0.9
500.31122	0.2
501.31778	0.8
502.32385	2.8
503.33383	0.4
544.33575	0.2
644.35358	0.1
661.36017	8.2
662.36359	2.5
662.47095	0.1
663.37823	0.4
664.37939	3.7
665.38385	0.7
724.32507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96215	0.1
55.01885	0.2
57.03438	0.2
58.00595	0.2
59.01379	4.1
61.98825	0.9
69.03454	0.1
69.72644	0.8
71.01383	3.5
71.04996	0.1
72.99310	0.3
73.02942	0.8
77.45379	0.1
78.95918	0.1
80.02684	0.7
81.03458	0.9
83.01404	0.7
83.05031	3.6
84.02175	0.6
84.05372	0.2
85.02945	0.8
87.00877	0.9
89.02448	2.0
91.04063	0.1
93.03425	0.1
95.01414	0.3
95.05052	0.4
97.02946	0.3
99.00889	0.3
101.02452	3.2
109.06621	0.4
111.04582	0.1
111.08181	0.2
113.02472	1.6
119.03529	0.5
125.02454	0.1
125.06077	0.4
125.09723	0.1
126.11823	0.1
127.07687	0.2
133.05087	0.2
135.08170	0.4
141.09201	0.1
143.03546	0.3
145.05101	0.6
157.05125	0.2
161.04573	1.5
163.11296	2.6
164.11636	0.2
165.12868	1.6
179.05623	0.3
181.12372	0.5
183.13972	0.1
191.10846	0.7
192.91100	0.1
199.13391	0.3
207.10289	0.4
208.10732	0.2
209.11833	84.9
210.12164	5.5
225.11356	0.2
227.12894	11.1
228.13164	0.8
233.22711	0.3
235.08221	5.5
235.10623	0.3
236.08501	0.3
253.09273	9.8
254.09650	0.5
259.20630	0.3
275.20139	0.3
277.21704	100.0
278.22049	11.0
279.23007	0.1
445.20715	0.6
461.74030	0.1
487.33627	0.2
513.31012	0.2
516.86169	0.1
661.37372	0.2
723.43127	0.5
745.87250	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	723.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13005	0.3
55.01898	0.5
56.47314	0.3
57.03452	0.9
58.00592	1.3
58.14978	0.3
58.73706	0.3
59.01379	43.9
60.01727	0.5
60.14944	0.3
61.98832	18.5
69.55369	2.6
71.01385	22.4
71.05024	4.2
72.99305	2.0
73.02969	1.0
75.00881	0.4
79.95786	0.3
80.96520	1.3
83.01393	1.7
83.05024	0.3
83.81187	0.3
85.02956	3.8
87.00874	1.5
88.98841	1.2
89.02454	21.9
90.02798	0.5
94.78675	0.3
95.01406	1.4
96.06340	0.3
101.02459	14.5
102.02760	0.4
107.65414	0.3
113.02455	8.8
114.02825	0.3
116.92884	0.4
119.03523	9.8
125.02499	0.8
125.09756	1.3
127.04006	0.6
131.03537	1.1
138.57040	0.3
139.07658	0.3
143.03545	2.0
149.04596	0.7
161.04570	1.7
165.05518	0.4
169.01419	0.4
171.10350	0.6
179.05624	9.2
180.05991	0.3
197.11867	0.5
209.11845	1.1
210.12138	0.4
222.88713	0.3
224.87634	0.3
225.00804	0.4
227.12801	0.5
271.20715	0.3
323.23801	0.4
371.25894	3.9
372.26273	0.6
395.29541	0.4
423.29028	1.1
439.32297	2.2
440.32425	0.7
457.33221	48.7
458.33566	9.2
472.31638	0.6
473.31555	0.5
483.31131	10.0
484.31525	2.4
501.32190	59.6
502.32535	11.2
506.14700	0.4
543.33636	0.6
660.36450	1.0
661.37476	0.9
663.37579	100.0
664.37903	24.6
664.49512	0.5
685.34760	1.1
691.34393	1.8
691.67645	0.4
723.29712	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	723.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.2
57.03444	0.2
58.00592	0.2
59.01378	2.9
61.98824	0.8
65.30102	0.1
68.29887	0.1
69.03468	0.1
69.31084	0.2
71.01382	2.1
72.01765	0.1
73.02951	0.4
80.02682	1.0
81.03461	0.9
83.01389	0.4
83.05027	4.3
84.02163	0.6
84.05375	0.1
85.02958	0.5
86.08839	0.1
87.00877	0.5
89.02444	1.5
91.04065	0.1
93.03490	0.1
95.01425	0.2
95.05032	0.5
97.02960	0.1
97.06595	0.2
99.00912	0.1
101.01789	0.1
101.02451	1.9
109.06604	0.3
113.02457	1.0
119.03525	0.4
125.06072	0.5
125.09760	0.2
127.07603	0.1
135.08176	0.6
143.03508	0.2
145.05048	0.1
147.11797	0.2
161.04572	0.9
163.11296	3.4
164.11615	0.2
165.12859	2.0
166.13226	0.1
175.69992	0.1
179.05591	0.3
181.12416	0.4
191.10806	1.0
199.13379	0.2
209.11830	100.0
210.12155	6.7
211.13371	0.1
223.75146	0.1
225.11360	0.1
227.12883	10.5
228.13196	0.7
233.22659	0.2
235.08197	1.1
251.12932	0.1
253.09268	7.2
254.09489	0.4
259.20511	0.1
275.20157	0.2
277.21704	46.9
278.22052	5.3
291.23117	0.1
307.53683	0.1
427.19702	0.1
445.20761	1.1
446.21167	0.2
463.21902	0.1
472.68655	0.1
527.54138	0.1
606.98132	0.1
727.37488	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	723.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55128	0.2
57.03439	0.3
58.00578	0.3
59.01374	5.8
60.99310	0.4
61.98829	11.9
63.99250	0.9
69.04235	0.2
69.99792	0.2
71.01389	3.7
72.99312	0.6
78.95903	0.5
79.95754	0.3
80.96523	1.2
82.96091	0.3
85.02954	0.9
87.00903	0.2
88.98806	0.6
89.02447	3.2
89.45019	0.2
94.98077	0.4
95.01424	0.2
95.57659	0.2
101.02455	2.0
104.82571	0.2
105.56996	0.2
108.04579	0.2
113.02478	1.2
119.03510	1.3
119.97623	0.2
161.04573	0.4
171.10170	0.3
176.76764	0.2
179.05609	0.7
182.44073	0.2
188.91306	0.2
198.01234	0.2
207.10336	0.3
209.11888	0.4
225.00725	0.3
225.11261	0.2
268.77817	0.2
273.16855	0.2
391.30130	0.2
393.31509	0.4
421.31177	0.8
439.32095	3.3
440.32715	0.6
455.31836	0.3
483.31067	5.5
484.31290	1.0
501.32169	100.0
502.32492	22.0
543.33313	3.3
544.33685	0.6
663.37268	1.2
723.31549	2.1
724.31653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
58.00587	1.1
59.01075	0.9
59.01380	22.4
61.98832	52.1
63.00356	0.4
71.01385	8.2
72.99299	1.2
73.02956	0.6
78.20148	0.4
78.95901	0.6
79.95760	0.6
80.96534	0.7
83.01382	0.9
83.56776	0.4
85.02963	1.8
87.00890	0.8
88.98799	1.7
89.02445	6.8
95.01368	0.8
96.51379	0.5
96.96001	0.5
101.02460	5.9
109.06617	0.5
113.02454	4.5
119.03540	2.9
125.09753	1.4
143.03513	1.1
161.04578	1.8
163.11215	0.5
169.12390	0.6
171.10204	0.7
179.05644	3.9
185.11691	0.5
207.10277	1.4
209.11853	1.6
211.13394	0.9
225.00648	0.5
225.11320	1.8
253.09201	0.6
289.18124	0.9
307.19183	0.7
363.26913	0.8
363.54803	0.4
371.25912	4.9
372.26035	0.6
395.29431	1.2
439.32455	0.7
455.31601	1.9
457.33231	84.1
458.33597	14.3
461.20514	0.5
483.31091	5.5
484.31308	0.6
501.32138	92.4
502.32471	16.1
543.33093	6.5
544.33759	1.2
573.34326	0.6
660.34808	0.7
661.35980	6.1
663.37579	100.0
664.37982	23.8
669.31488	0.8
673.34430	0.5
707.36469	0.6
723.30359	1.0
723.40137	1.4
724.39331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.6
59.01380	2.1
59.41385	0.3
65.00349	0.4
65.03974	0.4
67.01888	0.4
69.03433	0.9
70.43472	1.5
71.01379	1.3
72.70920	0.4
74.02480	1.0
80.02666	0.4
81.03455	1.9
82.22382	0.3
83.01386	4.1
85.02946	0.7
89.02458	1.0
93.03471	4.2
95.01397	1.2
95.05036	2.1
96.96028	0.8
97.02966	4.6
99.00892	0.4
101.02455	0.5
102.06198	0.4
105.03445	0.3
107.01405	0.4
107.05048	1.5
108.02174	1.3
109.02966	18.6
110.03293	0.7
111.04538	0.4
113.02451	0.6
115.00294	0.4
116.03541	0.6
117.03467	0.8
119.05036	1.7
120.02132	0.4
120.56515	0.3
121.02969	3.6
122.03744	1.0
123.00889	0.9
123.04545	14.6
124.01718	0.8
124.04866	0.7
125.02462	27.8
126.02798	1.2
133.02965	1.9
133.06668	0.5
134.03616	0.4
135.04530	2.9
137.02467	15.7
138.03163	1.1
139.04053	3.3
143.05051	1.1
145.02974	1.6
146.03755	1.2
147.04550	1.1
149.02480	5.3
149.06078	0.4
150.03197	1.2
151.04031	9.1
152.04391	0.7
157.06578	1.2
158.06084	1.1
159.04509	2.6
160.05287	1.5
161.02451	5.5
161.06093	4.2
162.03249	1.6
163.00395	1.3
163.04010	4.0
164.01176	11.1
164.04196	0.5
165.01976	5.0
165.05637	0.6
166.02658	0.6
167.03514	2.1
167.04893	0.7
169.01442	1.2
173.02460	0.5
173.04565	0.6
173.06032	0.7
174.03166	1.0
175.02473	0.5
175.04015	5.2
175.07614	1.6
176.01202	0.6
177.01936	3.0
177.05579	0.9
179.03526	5.5
181.06602	0.9
183.04491	0.7
185.06117	2.4
187.04005	5.5
187.07597	0.5
188.04770	3.5
189.01918	0.9
189.05511	1.1
190.02676	0.5
191.03580	0.5
191.05591	0.7
193.01474	0.5
197.06079	0.4
199.03998	1.0
199.07629	0.8
201.01892	0.6
201.05513	1.6
202.06491	2.1
203.03481	1.0
203.07143	11.0
204.07440	0.9
205.01443	1.4
205.05063	8.3
206.05196	0.4
209.06023	1.5
211.03990	1.3
211.07643	0.7
212.04811	0.9
213.05618	1.2
214.02818	0.4
215.03531	0.5
217.05006	0.6
217.08618	0.6
219.03064	0.5
221.08148	1.7
224.04594	0.4
225.05492	1.2
227.03549	1.1
227.07167	2.2
228.04248	1.0
229.01450	0.7
229.05028	2.3
230.05769	1.0
231.02997	1.4
231.06630	0.5
237.05840	0.6
238.06126	0.5
239.03505	0.4
239.07112	0.3
241.05061	0.8
243.02917	1.2
243.06638	0.5
245.04497	0.5
245.08191	13.6
246.08505	1.1
247.06119	1.4
249.04050	1.0
251.07230	0.5
253.05054	18.7
254.05424	1.4
255.02954	3.5
255.06563	3.8
256.03653	2.0
256.07117	0.4
257.04480	1.1
261.08820	1.1
265.05008	1.0
267.02979	1.4
267.06430	1.7
268.03702	0.6
269.04553	1.1
270.05362	1.0
271.06110	7.6
272.06512	1.0
273.00626	0.5
273.04337	0.5
273.07712	3.1
275.01923	0.6
279.02866	0.5
281.04547	1.8
283.02512	0.6
283.06305	0.4
285.04037	1.4
289.07169	100.0
290.07520	9.5
291.06589	0.5
293.04889	0.5
293.08160	1.5
295.02478	1.2
295.06042	0.9
297.04007	0.7
300.99927	1.4
305.08231	0.5
309.03995	0.6
329.06454	0.4
337.01981	1.3
339.08807	1.3
347.09085	0.4
363.08594	0.7
381.09653	1.7
382.11307	1.2
391.08054	0.6
407.07748	16.6
408.08176	2.2
417.09689	3.7
418.10345	0.5
419.07660	2.3
420.07962	0.5
425.08899	1.8
431.08124	0.5
433.11417	9.3
434.11740	1.8
435.10812	9.0
436.11310	2.1
437.12335	0.8
457.13101	0.8
481.03763	0.7
499.14142	1.1
514.04706	0.5
517.14685	0.5
525.11896	14.4
526.12042	2.4
543.12946	5.0
544.12891	1.2
571.14569	1.1
597.16144	4.4
598.16382	0.8
723.19659	8.0
724.19885	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	722.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36559	0.2
55.01866	0.3
57.03442	0.4
58.00585	0.3
59.01377	4.6
61.98833	16.3
65.00316	0.3
67.01887	0.7
68.99799	0.3
69.03438	0.4
69.57532	0.7
69.57954	1.3
71.01382	3.1
72.99302	0.6
73.02959	0.5
75.00836	0.2
76.56296	0.3
79.01893	0.7
80.96507	0.5
83.01411	0.5
83.05038	0.6
85.02977	1.3
87.00879	0.7
88.98815	0.7
89.02455	1.1
95.01388	1.3
96.01775	0.2
96.96021	0.3
97.02982	0.4
98.20625	0.4
99.00887	0.4
101.02449	1.9
107.01388	2.4
109.02977	0.4
110.00106	0.3
111.00891	1.9
113.02481	1.5
116.92884	0.6
119.03506	0.4
123.00901	10.1
124.01729	0.6
125.02467	12.4
126.02783	0.5
127.00368	0.6
136.98822	0.9
137.02473	0.5
139.00394	3.1
140.01187	2.3
141.01987	1.1
150.03185	0.4
151.00392	5.5
151.03972	0.2
152.00720	0.3
152.17294	0.2
153.01930	0.6
154.99840	0.3
155.10735	0.3
161.04602	0.4
163.03986	0.4
163.11331	0.4
165.05605	0.3
167.03517	0.3
168.00676	3.1
169.01443	13.7
169.12311	0.3
170.01711	0.3
171.10262	1.0
176.57848	0.3
193.04985	0.3
197.11893	0.4
198.12193	0.3
201.11296	1.9
209.11844	9.1
210.12190	0.4
211.02480	5.0
212.02791	0.3
215.56616	0.2
225.11296	0.5
227.12904	1.7
227.94008	0.2
235.08261	0.4
253.09340	0.7
271.04578	3.4
271.10898	0.4
272.04868	0.3
286.83411	0.3
301.10736	0.3
313.05579	0.8
445.20914	0.6
457.33017	0.3
475.33575	0.2
499.30457	0.3
500.31000	0.8
501.32117	3.6
629.12372	0.2
632.34113	0.3
659.36548	100.0
660.36945	23.3
663.37421	0.3
722.29346	1.2
723.28589	0.5
723.39166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4185
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
55.01878	0.4
57.03444	0.4
59.01380	10.6
61.98837	2.7
69.03457	0.3
69.50430	1.4
69.50866	1.2
71.01385	5.7
71.05054	0.2
72.99320	0.4
73.02960	1.0
75.00867	0.6
79.73730	0.2
80.02688	1.0
81.03457	2.4
83.01391	1.1
83.05029	3.0
85.02956	1.8
87.00891	1.1
89.02455	3.4
93.03455	0.6
95.01398	0.5
95.05042	0.6
97.02964	6.8
99.00886	1.7
101.02454	4.8
102.93661	0.2
106.04241	0.6
107.05049	0.8
109.06606	33.0
110.03709	1.2
110.06918	1.5
111.00954	0.3
111.04521	0.4
113.02464	3.1
119.03521	1.1
121.06618	2.2
123.04544	0.5
123.08215	0.3
125.02492	0.3
125.09727	0.5
133.06578	0.3
135.08197	4.0
136.05273	1.3
142.02753	2.3
143.03554	0.4
145.10277	0.6
161.04587	1.8
161.09743	1.7
163.11302	19.4
164.11606	0.9
179.05624	0.8
179.10777	0.7
181.12366	4.4
189.09212	2.7
190.09727	0.3
197.11842	0.4
207.10271	100.0
208.10587	6.2
209.11815	1.5
225.11322	39.3
226.11624	2.8
235.08261	2.7
243.12366	0.7
251.24171	0.3
253.09267	12.7
254.09724	0.7
255.23256	0.4
256.23743	0.4
275.20123	0.3
277.21716	75.1
278.22073	7.1
281.13913	0.8
299.15024	1.5
349.84280	0.3
423.32474	0.6
424.75439	0.3
441.33838	1.5
443.19186	5.8
444.19446	0.7
461.20261	11.6
462.20883	1.6
467.31665	0.9
485.32968	0.6
559.36676	0.4
627.11951	0.3
703.40802	0.9
721.41852	35.3
722.42236	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	721.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38116	1.3
59.01383	11.6
61.98832	100.0
63.99241	1.6
64.59957	1.3
71.01385	23.2
73.02927	3.8
74.37072	1.2
75.00864	2.3
77.10479	1.2
78.95898	2.7
78.98589	3.4
79.66836	1.1
79.95745	8.5
80.96057	2.4
80.96523	46.1
83.05017	1.5
85.02940	3.0
87.00864	2.7
87.27967	1.2
88.98797	5.4
89.02437	2.7
89.22069	1.1
94.98101	11.7
96.95991	3.1
97.03010	1.9
99.00882	3.2
99.04443	1.4
101.02431	6.1
109.06599	2.5
113.02452	1.4
119.03499	1.5
119.04983	1.7
122.97591	2.1
125.02427	4.6
134.97578	2.5
148.00775	1.4
148.99150	4.3
152.98596	3.6
163.11282	2.7
164.98657	7.5
169.01350	1.3
171.10234	4.3
183.13876	3.0
197.11823	2.2
201.11241	2.7
206.99693	2.1
207.10233	7.1
209.11813	20.9
210.12048	1.6
211.13429	8.4
215.12849	1.7
225.00766	15.9
225.11285	4.8
227.12799	3.1
229.33882	1.6
253.09320	3.2
302.45978	1.4
419.29346	3.8
437.30527	4.3
455.31393	2.3
471.34549	4.7
472.34778	4.0
499.30661	18.1
500.30826	2.6
641.54657	1.4
658.34991	1.6
661.35999	71.6
662.36292	20.4
671.32605	4.2
675.10583	1.4
689.33405	2.8
703.35474	2.7
721.31073	62.7
721.43658	3.3
722.31409	16.8
731.48804	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	721.367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.8
58.00610	1.3
59.01379	29.1
61.98834	64.0
68.99828	1.0
69.03462	2.5
69.67052	1.5
69.67455	6.6
71.01387	33.0
72.99332	2.6
73.02955	4.0
74.47898	1.2
75.00863	1.2
78.95911	26.0
80.96494	1.5
80.99704	0.9
81.03477	2.8
82.01563	1.0
83.01365	2.3
83.05028	2.3
85.02977	6.3
87.00897	7.5
88.98792	1.0
89.02454	23.9
89.02988	1.9
95.01411	1.6
96.96998	2.4
97.02976	5.3
99.00890	1.9
101.02459	25.1
111.04604	1.9
113.02471	11.7
119.03535	6.8
125.02448	11.1
131.03513	1.4
139.04071	0.9
141.01874	1.0
143.03520	4.1
149.04594	1.3
152.99608	10.8
161.04582	4.5
163.11404	1.3
165.12920	1.3
171.10277	2.1
176.01758	1.1
179.05644	4.4
197.11900	1.5
207.10403	2.2
209.11841	18.8
209.13719	1.6
210.12175	1.7
211.13400	2.1
221.06598	2.0
225.11324	4.5
227.12923	1.9
235.08260	11.2
253.09309	4.4
263.20157	68.3
264.20529	6.5
287.07803	3.8
293.21155	3.3
305.08795	3.8
323.09845	1.9
363.12085	2.1
395.14847	1.3
397.13525	100.0
398.13947	8.5
415.14554	34.8
416.14975	2.3
445.20685	1.3
587.60327	1.2
661.34729	2.5
686.75092	1.2
721.30212	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	721.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17707	0.2
58.00602	0.2
58.31572	0.1
59.01380	3.2
60.99298	0.2
61.98833	26.8
71.01386	2.1
71.05015	0.5
72.99306	0.2
73.02944	0.2
75.00876	0.2
79.95765	0.3
80.96524	1.4
83.05013	0.2
83.81652	0.2
85.02959	0.3
87.00894	0.2
89.02458	1.8
94.98136	0.4
95.01447	0.1
99.03683	0.2
101.02480	1.0
106.21962	0.1
113.02478	0.8
117.03468	0.2
119.03535	0.5
125.02386	0.2
143.03561	0.2
145.02995	0.7
161.04538	0.2
164.98755	0.2
171.10237	0.2
179.05618	1.0
183.13885	0.3
197.11931	0.2
209.11855	0.9
210.12254	0.2
211.13536	0.8
225.00745	0.3
225.11331	0.2
229.36667	0.2
255.02972	0.2
284.03400	0.2
285.04022	1.3
286.04321	0.2
295.21924	0.1
300.94189	0.1
407.29413	0.2
419.29526	0.4
437.30612	0.5
439.28308	0.2
451.28494	0.8
452.29028	0.2
453.30194	0.2
454.30801	0.2
455.31757	1.8
456.32324	0.3
481.29575	1.6
482.30228	0.3
486.29816	0.3
493.17294	0.2
499.30640	100.0
500.30997	17.0
541.31659	4.4
542.31836	1.0
571.32660	0.2
657.44482	0.1
658.32611	0.2
661.35803	0.2
721.30286	1.7
722.31812	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.0
59.01383	15.1
60.99321	1.1
61.98831	98.4
62.98524	1.1
63.96185	0.8
63.99260	2.2
68.44856	0.8
69.03464	2.1
71.01387	79.6
71.05027	1.1
72.01740	1.1
72.99321	2.5
73.02969	4.9
74.68873	0.8
75.00898	2.9
78.95914	1.9
78.98573	2.2
79.95743	3.0
80.02663	1.6
80.96525	23.9
81.03481	2.4
83.01375	1.1
83.05022	7.7
84.02165	1.5
85.02956	4.6
87.00889	4.0
88.98808	6.4
89.02462	6.2
94.98103	5.1
95.01427	1.4
95.05060	1.6
96.96043	1.9
97.02959	5.0
97.06625	1.4
98.19830	2.0
99.00888	3.3
101.02438	8.2
106.98127	1.1
109.06609	12.7
111.00858	1.2
111.04510	1.0
113.02449	5.2
119.03521	1.6
123.00945	1.1
123.04557	1.0
125.02467	3.2
125.06136	1.0
125.09738	2.5
127.11331	1.4
134.97638	1.4
135.08174	2.7
136.01720	1.3
136.05299	0.9
137.05952	0.8
142.02844	1.2
143.03542	1.4
145.05025	1.3
148.99142	2.0
151.03998	1.8
152.98631	1.6
155.10815	1.4
161.04570	2.6
161.09746	1.3
163.11311	14.5
164.98663	3.4
165.12840	2.8
169.01477	1.4
169.12386	1.1
171.10286	21.5
179.05692	1.2
181.12347	6.8
183.10280	1.1
183.13870	2.2
185.11842	2.5
191.10875	0.9
197.11826	5.2
199.09692	1.3
199.13435	4.5
201.11304	10.6
207.10269	37.9
208.10616	2.8
209.11845	100.0
210.12187	7.4
211.13408	6.3
214.08522	0.9
215.12949	1.6
221.11784	2.0
223.13327	1.6
225.00751	8.0
225.11322	31.1
226.11678	2.5
227.12891	10.5
228.13177	1.1
235.08167	3.7
243.12396	3.7
253.09290	11.5
254.09589	0.9
273.16983	0.9
292.97287	0.8
299.15045	1.2
312.52765	0.9
387.14258	1.8
396.09122	0.8
399.21616	1.4
403.30521	0.9
417.22943	1.3
443.19336	1.8
461.20346	8.3
479.21176	1.5
498.68945	0.8
499.30405	10.2
500.30960	2.6
635.30505	2.5
653.31897	2.7
654.32019	1.2
658.35760	2.3
659.35638	3.8
661.36932	2.6
671.33020	4.1
672.33624	2.8
689.33899	4.1
703.35767	1.4
721.30542	26.1
722.30615	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	721.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03576	0.8
53.74966	0.8
55.01845	1.0
57.03439	1.2
59.01385	16.7
60.99337	1.0
61.98835	88.5
64.85824	0.8
68.99841	1.3
69.03452	0.9
71.01388	100.0
71.02868	2.5
72.01711	1.8
72.99326	2.0
73.02961	3.6
73.20899	0.8
75.00880	2.3
78.95920	3.3
79.95757	1.9
80.02704	1.2
80.96516	10.8
81.03480	3.0
83.01405	1.9
83.05025	6.6
84.02185	1.9
85.02971	5.3
87.00891	4.2
88.98830	4.1
89.02439	4.9
93.03477	1.2
94.98093	1.9
95.01408	1.5
95.05033	2.3
96.96011	1.4
97.02973	3.8
99.00908	2.1
99.04527	0.8
101.02454	10.3
107.05056	0.9
109.06611	12.2
111.08202	1.0
113.02488	5.5
115.00401	1.1
116.92880	2.0
118.47746	0.8
119.03542	2.4
121.06657	1.3
123.04513	1.1
125.02457	4.1
125.06075	1.6
125.09737	2.2
127.11317	1.2
135.08163	1.8
136.01682	2.8
137.02412	1.0
143.03528	1.2
145.05109	0.8
148.99312	0.8
151.00377	1.1
151.04008	2.6
152.99655	1.0
155.10799	1.0
161.04585	2.6
161.09753	1.6
163.11324	11.5
164.98624	1.4
165.09271	1.0
165.12843	3.4
169.01401	2.9
169.12283	1.0
171.10307	16.1
179.05685	1.1
179.10779	1.6
181.12329	3.7
183.13931	5.7
185.11845	3.4
187.09593	1.1
189.09344	1.0
195.13947	2.3
197.11877	3.5
199.13452	2.9
201.11319	6.8
207.10286	34.7
208.10646	1.9
209.11842	98.1
210.12154	8.6
211.13354	1.7
213.14980	22.6
214.15308	1.5
215.12936	2.3
215.80109	0.8
225.00722	3.3
225.11330	27.5
226.11633	2.2
227.12883	11.2
228.13200	1.2
235.08179	3.8
243.12349	2.8
249.11382	1.0
251.12897	0.8
253.09285	10.4
285.04181	1.8
300.99734	1.4
323.22348	1.4
387.14758	1.3
399.21597	1.7
417.22992	2.7
443.19257	1.0
461.20401	7.2
479.21014	1.3
499.30637	15.8
500.30920	3.1
507.35669	4.3
508.35858	1.1
523.36182	3.2
529.30035	2.1
607.65863	0.8
635.31049	1.7
653.31946	2.8
658.35504	3.4
659.36664	2.0
671.33136	4.9
672.33710	1.8
689.33972	6.7
721.29913	11.9
722.32336	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
61.98832	100.0
63.96242	1.1
63.99246	0.8
69.03445	0.8
69.53631	3.5
71.01382	8.0
72.99293	0.7
73.02956	2.1
78.95910	4.6
78.98607	5.5
79.95741	11.7
80.96525	61.9
81.03470	1.2
81.95332	0.4
81.96474	0.5
82.96103	2.0
83.00869	0.3
83.01385	0.5
85.02959	2.8
85.65797	0.4
87.00881	3.1
88.98833	0.8
89.02422	0.5
94.98098	14.0
96.96043	0.9
96.97025	0.7
97.02963	1.7
99.00897	1.1
101.02456	2.8
106.98101	2.6
109.06612	0.5
111.08187	0.4
113.02479	0.7
122.97603	2.8
125.02473	3.2
127.04014	0.6
134.97589	4.5
135.22916	0.4
136.99188	1.0
147.04433	0.4
148.99156	5.1
150.51581	0.4
152.98604	6.1
152.99664	1.3
164.98651	12.2
165.98987	0.4
171.10429	0.4
183.13943	2.9
185.11877	0.7
197.11874	0.4
206.99728	2.9
207.10201	0.6
209.11871	2.7
211.13396	4.0
212.13676	1.1
225.00740	19.8
225.11343	0.9
226.01042	1.2
283.04904	0.5
493.17276	1.6
499.30057	2.3
500.30801	0.4
509.17032	2.1
613.32123	0.5
659.36456	1.3
721.31116	81.2
722.31433	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	721.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62838	0.2
57.03456	0.6
59.01385	3.2
61.98833	26.7
62.98549	0.3
63.96232	1.7
63.99263	0.6
65.64916	0.3
69.03452	1.1
71.01389	9.9
72.99329	0.4
73.02956	2.5
78.95895	0.7
78.98600	6.6
79.95744	13.5
80.96526	78.2
81.03457	1.1
81.96442	0.4
83.01402	0.5
83.66142	0.3
84.02187	0.3
85.02962	3.2
87.00887	3.6
88.98807	1.3
89.02480	0.6
93.07011	0.3
94.98098	17.9
95.01426	0.7
96.96052	1.6
96.96568	0.2
97.02969	1.9
97.45042	0.2
99.00882	1.2
99.04550	0.7
101.02454	3.2
106.98104	3.7
113.02433	0.7
122.97600	3.4
123.58530	0.3
125.02465	3.8
127.04017	1.3
134.97595	5.7
136.99156	1.4
138.97073	0.4
148.99164	7.2
150.97032	0.4
152.98651	7.5
161.04543	0.5
163.11298	0.3
164.98643	14.6
165.99007	0.5
167.00154	0.6
167.09187	0.3
171.10220	0.8
183.13895	0.8
188.98596	0.4
197.11853	0.8
206.99678	3.9
207.10234	0.5
209.11816	4.9
210.12262	0.5
211.13438	3.5
212.13919	0.4
225.00751	24.9
225.11411	0.5
226.00990	0.6
227.12859	0.6
283.04865	0.7
378.15601	0.3
403.39648	0.3
493.17307	2.4
494.17722	0.3
499.30579	9.4
500.31177	0.7
509.16821	2.4
515.30573	0.3
529.30188	0.4
593.45728	0.3
617.90247	0.3
661.36066	0.9
662.07568	0.3
671.33051	0.5
689.33130	0.4
702.56134	0.3
721.31238	100.0
722.31598	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	721.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94615	0.3
55.05566	0.2
57.03464	0.4
57.90160	0.2
59.01372	1.8
59.66955	0.2
61.98833	22.8
62.52199	0.3
63.96254	1.6
69.03455	0.8
71.01384	8.7
72.99318	0.5
73.02958	1.7
75.00890	0.5
76.92207	0.2
78.95935	0.3
78.98599	6.5
79.95742	12.0
80.96525	70.8
81.03468	1.4
81.96436	0.3
83.01392	0.4
85.02955	3.2
87.00879	3.0
88.98817	0.5
89.02477	0.4
93.42855	0.3
94.98095	17.6
95.01392	0.3
96.96012	1.6
97.02954	1.7
98.19863	0.7
99.00887	1.2
101.02458	3.1
106.58095	0.3
106.98097	3.0
113.02460	0.6
122.97608	3.9
123.00813	0.3
125.02463	3.3
127.04021	0.9
130.11171	0.3
134.97614	5.1
136.99146	1.1
143.03549	0.4
148.99155	7.1
152.98656	6.7
161.04544	0.3
163.11272	0.4
164.98653	13.9
165.06741	0.3
165.12880	0.3
167.00214	0.3
169.01370	0.2
171.10281	0.6
176.98857	0.3
179.00211	0.3
179.03511	0.3
183.13910	0.6
188.98640	0.5
190.77325	0.3
197.11839	0.7
206.99681	3.2
209.11832	3.9
211.13399	2.9
225.00742	24.0
225.11238	0.7
226.01004	0.7
227.12840	0.6
229.54675	0.3
283.04883	0.7
348.49890	0.3
393.22516	0.3
493.17413	1.6
499.30670	1.6
509.16855	2.9
510.17093	0.4
641.33179	0.3
671.32965	0.7
703.35657	0.5
721.31232	100.0
722.31628	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	721.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.4
57.03438	0.7
59.01376	3.3
61.98842	2.1
65.00327	0.4
67.01889	1.6
68.99821	0.6
69.03461	1.4
69.44697	3.4
71.01380	5.0
72.99305	0.9
73.02946	0.5
74.99091	0.6
79.01902	1.7
83.01414	1.2
85.02971	1.9
87.00900	1.0
89.02457	1.2
93.03451	0.9
95.01394	2.8
96.96021	0.5
97.02982	1.9
98.19869	0.7
99.00874	0.5
101.02467	2.3
107.01407	11.1
109.02979	0.9
111.00915	4.0
113.02477	1.7
120.99673	0.5
121.02976	1.6
122.03760	1.2
123.00901	16.7
123.04557	1.1
124.01719	2.8
125.02463	62.2
126.02811	1.4
127.00404	1.6
133.02980	0.4
134.03836	0.5
135.04544	0.7
136.01694	1.0
136.98851	2.5
137.02443	3.3
138.03232	0.8
139.00407	5.5
139.04022	2.7
140.01183	5.1
141.01978	2.5
146.03738	1.7
149.02469	6.2
149.06134	0.6
150.03258	9.5
151.00392	10.2
151.04039	3.8
153.01939	1.2
153.05591	0.9
154.99979	0.4
161.06104	0.7
162.03229	1.3
163.04015	0.6
164.04834	2.6
165.01956	2.4
165.05586	8.1
166.02719	0.7
166.06227	1.4
166.99890	1.9
167.03491	0.9
167.07123	1.1
168.00665	8.4
169.01443	78.3
170.01788	3.4
177.02054	0.4
177.05634	1.2
179.03523	1.4
179.07115	2.3
180.04298	2.0
181.01352	0.5
181.05070	9.9
181.08646	0.6
182.05855	4.3
183.03006	10.7
183.06543	0.9
184.03418	0.5
193.01378	0.8
195.03050	0.6
195.06645	2.4
196.07420	6.6
197.08246	2.7
211.02464	4.7
211.09737	2.2
223.02538	1.1
225.03903	0.5
225.07889	0.6
241.03568	2.1
253.03609	0.7
271.04608	2.5
275.01712	0.4
297.06091	1.1
299.11368	1.2
300.99799	0.7
312.04953	1.0
313.05658	21.6
314.05969	1.1
327.07202	4.1
331.06693	0.7
332.31281	0.4
335.97266	0.4
344.12543	1.0
359.14996	0.9
467.84351	0.5
491.12195	0.7
493.13556	3.6
494.14252	3.5
495.14920	0.7
509.12900	11.5
510.13193	1.7
523.14581	1.9
549.15625	0.4
559.18042	2.6
560.18787	0.6
595.77911	0.4
703.22296	0.9
721.23621	100.0
722.24017	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	721.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.4
57.03438	0.7
59.01376	3.3
61.98842	2.1
65.00327	0.4
67.01889	1.6
68.99821	0.6
69.03461	1.4
69.44697	3.4
71.01380	5.0
72.99305	0.9
73.02946	0.5
74.99091	0.6
79.01902	1.7
83.01414	1.2
85.02971	1.9
87.00900	1.0
89.02457	1.2
93.03451	0.9
95.01394	2.8
96.96021	0.5
97.02982	1.9
98.19869	0.7
99.00874	0.5
101.02467	2.3
107.01407	11.1
109.02979	0.9
111.00915	4.0
113.02477	1.7
120.99673	0.5
121.02976	1.6
122.03760	1.2
123.00901	16.7
123.04557	1.1
124.01719	2.8
125.02463	62.2
126.02811	1.4
127.00404	1.6
133.02980	0.4
134.03836	0.5
135.04544	0.7
136.01694	1.0
136.98851	2.5
137.02443	3.3
138.03232	0.8
139.00407	5.5
139.04022	2.7
140.01183	5.1
141.01978	2.5
146.03738	1.7
149.02469	6.2
149.06134	0.6
150.03258	9.5
151.00392	10.2
151.04039	3.8
153.01939	1.2
153.05591	0.9
154.99979	0.4
161.06104	0.7
162.03229	1.3
163.04015	0.6
164.04834	2.6
165.01956	2.4
165.05586	8.1
166.02719	0.7
166.06227	1.4
166.99890	1.9
167.03491	0.9
167.07123	1.1
168.00665	8.4
169.01443	78.3
170.01788	3.4
177.02054	0.4
177.05634	1.2
179.03523	1.4
179.07115	2.3
180.04298	2.0
181.01352	0.5
181.05070	9.9
181.08646	0.6
182.05855	4.3
183.03006	10.7
183.06543	0.9
184.03418	0.5
193.01378	0.8
195.03050	0.6
195.06645	2.4
196.07420	6.6
197.08246	2.7
211.02464	4.7
211.09737	2.2
223.02538	1.1
225.03903	0.5
225.07889	0.6
241.03568	2.1
253.03609	0.7
271.04608	2.5
275.01712	0.4
297.06091	1.1
299.11368	1.2
300.99799	0.7
312.04953	1.0
313.05658	21.6
314.05969	1.1
327.07202	4.1
331.06693	0.7
332.31281	0.4
335.97266	0.4
344.12543	1.0
359.14996	0.9
467.84351	0.5
491.12195	0.7
493.13556	3.6
494.14252	3.5
495.14920	0.7
509.12900	11.5
510.13193	1.7
523.14581	1.9
549.15625	0.4
559.18042	2.6
560.18787	0.6
595.77911	0.4
703.22296	0.9
721.23621	100.0
722.24017	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	720.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41415	0.1
61.98828	100.0
62.98509	0.2
62.99263	0.1
69.38364	0.8
80.96505	0.1
98.19913	0.2
160.16789	0.1
199.36371	0.1
209.11865	0.2
211.13451	0.2
212.13768	0.1
227.12817	0.1
499.30658	1.2
508.49521	0.1
511.15118	0.1
656.48694	0.1
720.29919	0.1
749.95313	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	720.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11784	0.2
59.01373	1.5
61.98831	100.0
62.98540	0.3
63.99258	1.0
71.01389	1.6
71.57187	0.5
78.95931	0.4
80.96497	0.4
83.05046	0.5
85.02968	0.5
87.00866	0.3
89.02473	1.1
91.38867	0.2
101.02460	1.1
109.06568	0.3
111.08137	0.4
113.02473	0.7
116.78288	0.2
119.53833	0.2
141.34962	0.2
145.05139	0.3
152.99658	0.3
156.10686	0.2
161.04568	0.6
165.12886	2.5
183.13913	24.1
184.14214	1.9
189.39304	0.3
193.12341	0.4
197.11865	0.7
209.11765	1.3
211.13403	24.8
212.13707	1.8
220.26590	0.2
227.12880	1.2
235.08176	0.5
253.09320	1.9
439.77478	0.3
445.20728	0.3
447.22552	0.5
463.21677	0.7
657.35016	45.1
658.35315	8.6
720.41504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49961	0.3
54.48812	0.3
55.01862	0.3
58.26299	0.3
59.01379	3.4
61.98834	17.0
67.01891	0.7
68.99810	0.5
69.03448	0.4
69.41336	3.5
71.01388	2.6
72.99323	0.8
79.01898	0.8
80.96524	0.8
81.03481	0.3
83.01396	0.5
85.02957	1.2
87.00877	0.5
88.98802	0.8
89.02451	0.9
94.98083	0.4
95.01390	1.3
97.02975	0.5
98.02363	0.3
99.00887	1.0
101.02444	1.7
107.01405	2.9
111.00894	2.0
113.02454	1.3
116.92920	0.4
119.05012	0.4
123.00908	10.1
124.01717	0.5
125.02470	12.1
125.09677	0.3
126.02750	0.4
127.00378	0.7
136.98842	0.8
139.00381	3.0
140.01155	2.2
141.01978	1.6
151.00383	5.5
151.04172	0.3
151.25146	0.3
152.00653	0.3
153.01950	0.4
163.11302	0.3
167.03479	0.3
168.00685	2.8
169.01440	14.7
170.01772	0.4
171.10234	0.5
181.12323	0.9
197.11833	0.4
199.13370	0.6
207.10260	1.1
209.11813	3.0
210.12273	0.4
211.02512	4.5
225.11284	0.9
227.12889	0.4
243.12387	0.8
271.04636	3.2
272.04886	0.4
313.05594	0.9
506.53146	0.3
627.34137	1.7
628.34747	0.5
631.33984	0.3
657.35010	100.0
658.35370	24.2
661.37598	0.3
685.33661	0.3
688.32001	0.5
689.33984	3.3
721.30945	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	719.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03429	1.0
59.01382	11.2
59.47334	0.5
61.98830	12.6
63.96212	0.5
66.74100	0.5
69.01779	0.5
69.03453	1.4
69.59039	3.7
69.59444	0.7
71.01036	0.7
71.01390	9.6
72.99318	0.7
73.02934	1.9
77.83210	0.5
78.98593	0.6
79.95731	2.3
80.02673	2.4
80.96527	10.7
81.03462	2.6
83.01381	2.1
83.05029	9.1
84.02177	2.0
85.02956	3.1
87.00862	1.6
88.98800	1.2
89.02450	4.3
94.98093	2.7
95.01408	0.9
95.05048	1.1
95.57112	0.5
97.02959	1.5
97.06590	1.5
101.02457	8.5
109.06633	1.1
111.08111	0.7
113.02466	4.4
119.03506	1.5
120.48381	0.5
122.97562	0.8
123.00867	0.8
125.02435	3.1
125.09777	1.0
135.08136	1.9
143.03516	0.8
148.99149	1.2
151.11317	3.2
153.09251	0.9
153.12860	2.2
161.04584	3.5
163.11308	7.2
164.98630	1.8
165.12865	4.5
169.01436	1.5
169.12357	53.3
170.12659	3.1
171.10277	0.9
179.10739	1.4
181.12366	1.5
183.13881	1.0
191.10794	1.8
197.11841	96.2
198.12189	5.7
209.11839	100.0
210.12175	7.4
211.13451	0.9
225.00807	3.4
225.07817	0.5
227.12895	8.4
228.13187	1.0
235.08031	1.2
235.13289	0.6
241.10808	1.0
253.09285	7.4
269.13824	0.6
287.14920	1.5
433.13202	0.7
433.20706	0.9
477.19891	0.7
485.91968	0.5
557.30469	0.8
657.35181	2.3
669.30688	0.6
687.32538	81.3
688.23132	0.5
688.32886	19.5
719.35486	83.4
720.35754	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81111	0.4
55.01871	1.0
57.03445	1.5
59.01381	7.4
61.98830	12.2
67.01897	0.4
69.03451	4.7
70.70747	0.7
71.01379	6.1
71.05022	2.2
72.99306	0.5
73.02949	1.4
80.02691	1.3
80.96508	0.8
81.03465	1.6
83.01388	1.1
83.05028	6.0
84.02187	1.4
85.02950	1.4
87.00880	0.8
89.02462	3.3
95.01385	0.4
95.05051	1.1
97.02962	0.7
97.06596	1.2
99.00921	0.6
101.02457	5.6
111.04574	0.5
113.02473	2.5
119.03493	0.6
123.08179	2.0
125.06095	0.5
125.09745	2.9
135.08208	0.6
137.09734	0.6
143.03487	0.4
149.09697	0.8
151.11325	3.2
153.12846	2.4
161.04575	1.5
161.09744	5.1
163.11282	4.5
164.11530	0.4
165.12923	2.2
179.10783	9.5
180.11180	0.7
181.12393	1.0
191.10788	0.9
197.11839	91.6
198.12167	6.8
208.32068	0.5
209.11835	67.5
210.12178	6.0
223.09767	1.3
227.12874	3.7
241.10799	4.8
253.09242	4.6
459.18607	0.7
477.19818	1.8
488.21329	0.5
657.35114	1.2
687.32526	100.0
688.32831	22.9
719.35144	32.9
720.35388	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	719.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57809	0.1
57.03453	0.2
58.00591	0.6
59.01380	8.1
61.98832	1.5
63.48791	0.1
64.90802	0.1
69.03462	0.4
69.52508	0.9
69.52930	0.4
71.01389	2.0
72.99310	0.6
73.02951	0.8
76.52946	0.1
81.03491	0.2
83.01378	0.2
83.05061	0.2
85.02960	1.7
87.00890	1.1
89.02449	1.1
93.03491	0.2
95.01385	0.1
95.05019	0.2
95.27964	0.1
97.02993	0.2
98.19835	0.3
99.04527	0.3
101.02457	1.2
101.27757	0.2
103.04029	0.4
108.02209	0.6
109.02954	0.5
110.45090	0.1
111.00892	0.2
111.04540	0.2
113.02492	0.2
116.92875	0.3
119.03501	0.2
120.99666	2.0
121.02988	0.3
121.06612	0.3
122.03764	2.0
123.04549	0.2
124.01731	0.2
125.02469	1.0
127.04044	0.2
135.04529	0.6
136.99190	0.2
137.02467	1.0
137.06145	0.4
138.03235	1.1
147.04535	0.3
149.02499	0.7
149.06102	3.2
149.07262	0.1
150.03207	1.3
150.06499	0.2
150.85411	0.2
151.04042	3.2
154.02779	0.2
159.30959	0.1
164.04820	1.2
165.05585	1.5
165.12924	0.1
167.07155	31.8
168.07506	1.9
169.01453	0.3
170.02193	0.1
179.07150	0.2
180.04321	0.2
181.93132	0.2
182.05888	1.3
183.06644	1.8
191.80678	0.1
195.06731	0.7
197.08189	0.7
209.08264	0.3
209.11838	1.1
211.06149	1.8
212.06383	0.2
225.07683	0.6
227.12895	0.7
259.06055	0.2
269.04688	0.2
287.05478	0.2
287.15189	0.4
295.12006	0.3
312.12146	0.3
313.12924	100.0
314.13284	9.8
328.11655	6.1
328.15698	0.2
329.12051	0.5
336.41800	0.2
342.13150	0.2
343.13995	23.7
344.14365	2.3
449.20462	0.2
523.21857	0.2
546.54962	0.2
571.70898	0.1
671.27484	0.3
672.26666	0.2
719.28540	2.4
720.29120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
58.00591	0.4
59.01090	0.4
59.01381	6.9
60.99283	0.2
61.98833	8.1
63.84070	0.2
69.03459	0.9
70.05258	0.2
71.01386	2.7
71.71832	0.2
72.99306	0.6
73.02413	0.2
73.02995	1.2
74.99110	0.3
75.00881	0.4
79.95771	0.2
81.03465	0.3
83.01398	0.6
85.02955	1.9
87.00890	0.8
87.04521	0.3
88.31899	0.2
88.98842	0.9
89.02451	1.2
93.03479	0.7
95.01391	0.3
96.96035	0.4
97.02978	0.4
99.00919	0.2
99.92587	0.2
101.02452	1.2
103.03975	0.3
107.01392	1.3
108.02197	0.7
109.02960	0.7
111.04446	0.2
112.00224	0.2
113.02477	0.4
116.92882	0.8
119.03526	0.3
121.02962	0.7
122.03757	2.0
123.00909	0.6
123.04565	0.4
124.01667	0.8
125.02464	10.9
129.74120	0.2
135.04543	0.6
136.99036	0.3
137.02464	0.9
137.06081	0.3
139.00386	0.4
139.04054	0.5
140.01202	0.3
147.04494	0.3
149.02448	0.8
149.06078	3.1
150.03241	2.0
150.06519	0.3
151.00389	0.8
151.03992	0.4
152.01123	0.4
153.01973	0.6
154.02782	0.3
157.06599	0.2
159.04526	0.2
162.03371	0.2
164.04680	0.2
165.01945	0.3
165.05577	1.5
167.07150	29.9
168.00706	0.6
168.07492	1.5
169.01436	9.8
173.06104	0.3
177.01970	0.4
177.05547	0.4
178.99878	0.4
179.03401	0.3
183.03026	0.6
194.05878	0.3
195.06587	1.0
201.05682	0.3
209.08185	0.4
209.11792	0.3
215.07143	0.4
227.12883	0.6
231.06627	0.5
235.13416	0.2
243.06575	0.7
259.06110	3.2
269.04596	1.9
270.05109	0.2
273.07684	0.4
287.02542	0.2
287.05585	4.8
287.14996	0.4
288.05890	0.5
295.11969	0.2
305.06668	0.4
311.09290	0.5
312.12222	0.3
313.12918	100.0
314.13269	9.3
317.06625	0.6
326.11697	0.2
343.14056	0.3
417.85129	0.2
431.19077	0.6
511.16034	0.9
517.31464	0.6
523.21649	0.3
656.20868	0.4
657.21820	9.4
719.25793	1.7
719.37823	0.8
720.27643	0.4
720.30493	0.4
720.39459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.7
58.00595	0.6
59.01085	1.0
59.01381	15.3
61.98835	23.0
65.00332	3.1
67.01890	0.4
69.03500	0.5
69.55931	4.0
71.01379	4.2
72.99310	1.4
73.02948	1.6
74.29598	0.5
74.99108	1.7
75.00896	0.5
78.95921	0.5
81.03468	2.2
83.01395	6.6
85.02975	2.9
87.00893	1.3
88.98815	2.5
89.02466	2.4
93.03461	3.2
95.01398	1.4
96.96029	1.2
97.02959	1.1
101.02446	2.6
107.01405	3.6
107.04970	0.5
108.02225	1.1
109.02991	3.7
111.00910	1.3
111.04478	0.5
113.02474	1.7
116.92899	1.2
117.03503	0.6
119.03515	0.7
119.05016	1.0
120.99670	4.3
121.02946	1.3
122.03763	1.5
123.00904	1.8
123.04545	2.2
124.01700	2.7
125.02466	71.9
126.02787	1.8
130.04149	0.5
131.05142	0.8
133.02994	1.9
134.03763	0.6
135.04535	1.7
136.01714	0.5
136.99133	1.7
137.02469	3.9
139.00375	1.2
139.04042	1.6
145.02960	0.7
145.06657	0.6
147.04533	1.2
149.02457	3.4
149.06122	2.4
150.03311	2.2
151.00389	11.8
151.01563	0.9
151.04056	1.1
152.01184	7.0
153.01991	5.1
153.05641	0.5
156.05806	0.6
157.06619	1.6
158.03812	0.8
159.04515	2.1
161.02478	0.8
163.00406	1.3
163.03954	0.7
164.04825	0.9
165.01964	1.8
165.05614	2.7
166.02612	0.4
167.03514	2.2
167.07152	21.0
167.10880	0.6
168.00580	0.7
168.07506	1.0
169.01451	8.4
171.04526	0.8
171.10364	0.5
172.05310	1.9
173.06084	5.2
175.04059	1.9
176.01202	3.9
177.01895	1.3
177.05563	5.8
178.99889	6.9
179.03455	1.1
179.07230	0.9
180.04292	0.8
181.04939	0.6
181.06631	0.8
183.02950	0.4
191.03419	0.7
195.04903	0.5
195.06615	2.2
196.07130	0.6
197.06097	1.4
197.11931	0.5
199.03922	0.9
199.07692	2.7
200.04913	0.8
201.05579	6.2
203.03499	1.2
207.13913	0.5
209.11858	1.9
211.09714	0.5
211.13483	0.7
213.05612	1.2
215.07121	6.9
217.01526	0.6
219.06593	0.9
223.13487	0.6
225.05569	1.9
225.07593	0.7
225.14934	0.6
227.12878	2.9
231.06602	2.2
240.04477	0.5
241.05128	2.5
243.06625	9.2
244.07050	0.7
259.06104	68.7
260.06442	6.1
268.03531	0.6
269.04535	28.8
269.13846	1.3
270.04797	3.0
273.07742	1.2
283.06107	0.8
287.05615	100.0
287.14706	4.6
288.05927	9.6
298.08420	1.2
300.99594	0.4
305.06525	1.1
311.05609	0.8
311.14896	0.6
313.12939	68.3
314.13297	6.3
317.06760	2.4
325.11273	0.8
343.11404	0.7
343.14651	0.6
371.17056	1.0
431.19168	7.6
447.66510	0.5
449.10843	0.5
497.26572	0.6
518.49475	0.6
519.31769	1.3
539.15399	0.5
630.06787	0.5
656.19781	0.5
657.21198	4.6
701.24255	1.8
719.25525	29.1
719.36572	3.6
720.25763	8.5
720.35437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21898	0.6
58.00580	0.7
58.83145	0.6
59.01382	6.3
61.45670	0.6
61.50967	0.6
68.18628	0.6
71.01384	4.2
74.54865	0.7
78.04550	0.6
78.44727	0.5
89.02457	7.5
98.19764	0.8
101.02448	2.7
113.02471	2.0
119.03551	3.3
132.57576	0.6
161.04552	1.3
172.01410	0.6
179.05630	3.7
197.02165	0.9
215.03294	4.7
243.70412	0.6
268.25293	0.7
341.10873	19.9
342.11319	2.3
357.39819	0.6
377.08569	100.0
378.08908	8.5
487.43527	0.7
496.85791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.1
59.01373	0.6
61.98832	100.0
62.98529	0.2
62.99277	0.1
71.01395	0.7
72.99341	0.1
75.00865	0.1
78.95932	0.1
79.95741	0.4
80.96526	0.5
83.05031	0.1
85.02982	0.1
87.00865	0.2
88.98849	0.3
89.02470	0.3
92.09682	0.1
94.98116	0.1
96.96065	0.1
97.02999	0.1
99.00906	0.1
101.02462	0.3
113.02480	0.2
116.92896	0.2
119.03628	0.1
125.02496	0.1
130.71347	0.1
158.78593	0.1
161.04585	0.1
163.11237	0.1
164.98665	0.1
169.01410	0.1
171.10289	1.3
172.10530	0.4
179.05673	0.1
183.13957	0.3
207.10275	0.1
209.11842	1.2
210.12213	0.3
211.13420	0.8
212.13799	0.2
221.11888	0.1
225.00826	0.2
225.11482	0.1
227.12898	0.3
229.14536	0.2
235.08275	0.1
253.06790	0.1
253.09288	0.3
255.02977	0.1
273.17163	0.1
285.03925	0.1
310.21368	0.1
327.21866	0.4
328.22177	0.3
405.77939	0.1
448.23315	0.1
497.29062	0.7
655.33624	0.3
659.40430	0.2
679.78345	0.1
687.32813	0.3
719.31335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92086	0.1
59.01379	0.6
59.04736	0.1
61.98831	100.0
62.98538	0.2
71.01398	0.3
73.02962	0.1
75.00908	0.1
78.95947	0.1
79.95763	0.1
80.96537	0.3
83.01418	0.1
85.02965	0.1
87.00912	0.1
88.98840	0.2
89.02458	0.2
96.96052	0.2
98.19858	0.1
101.02486	0.2
109.06625	0.1
111.00965	0.1
116.92905	0.2
119.05047	0.2
121.02993	0.1
122.03784	0.1
123.04604	0.1
125.02480	0.1
145.02974	0.1
150.03253	0.2
161.28148	0.1
163.04037	0.2
163.11331	0.1
163.97772	0.1
164.04701	0.1
165.05568	0.1
169.01483	0.1
171.10349	0.1
179.07164	0.1
195.06598	0.1
197.11894	0.2
205.08717	0.1
207.10291	0.1
208.10609	0.1
209.11850	1.0
209.13672	0.1
210.12120	0.1
211.13458	0.2
212.13730	0.1
225.11366	0.1
227.12982	0.2
229.40544	0.1
253.09352	0.1
273.17102	0.3
409.21915	0.1
594.82581	0.1
637.32422	0.1
655.34009	0.3
670.23938	0.1
686.32062	0.1
687.32745	0.2
718.35364	0.1
719.31042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.1
61.98831	100.0
62.98532	0.2
62.99251	0.1
69.54636	0.3
69.55064	0.2
78.95936	0.1
80.96511	0.1
101.02520	0.1
133.06776	0.1
169.12311	0.1
183.13965	0.1
197.11818	0.7
209.11874	0.5
210.12212	0.3
211.13492	0.7
225.11050	0.1
234.56131	0.1
253.09282	0.1
291.19794	0.1
342.73645	0.1
528.98566	0.1
718.40149	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	718.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.1
61.98831	100.0
62.98532	0.2
62.99261	0.1
64.13866	0.1
69.49137	0.5
71.01418	0.1
72.99323	0.1
75.00864	0.0
78.95947	0.1
79.07210	0.1
80.96512	0.1
88.98835	0.1
100.11520	0.1
116.92876	0.1
134.91042	0.1
158.72531	0.0
171.10439	0.1
197.11804	0.1
207.10362	0.1
208.10681	0.1
209.11879	0.3
211.13370	0.3
212.13766	0.1
227.13048	0.1
487.34341	0.1
535.36182	0.1
636.18591	0.1
718.39972	0.2
719.30017	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	717.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.2
61.98831	11.8
69.03453	0.4
70.66621	1.1
71.01378	2.3
73.02939	0.6
78.64291	0.3
80.02676	0.6
81.03467	0.4
83.01376	0.4
83.05028	2.5
84.02180	0.6
85.02961	0.6
87.00891	0.6
88.98773	0.5
89.02430	1.7
101.02450	2.3
113.02441	1.0
116.92847	0.3
119.03511	0.7
125.06074	0.3
135.08069	0.4
145.05048	0.5
161.04585	1.0
163.11301	2.0
165.12848	1.4
167.14444	0.5
171.10281	0.5
181.12360	0.5
183.13902	6.4
184.14226	0.3
191.10808	0.3
193.12346	1.3
203.39326	0.3
209.11839	61.2
210.12173	5.0
211.13399	100.0
212.13737	7.8
227.12886	10.7
228.13246	0.8
235.08231	3.4
248.20363	0.2
249.15057	0.5
253.09283	7.0
254.09555	0.3
260.93982	0.3
393.26663	0.3
429.21115	0.6
445.20914	1.3
447.22345	8.3
448.22607	1.0
517.31567	0.8
518.32361	0.3
621.33069	0.7
639.34076	0.9
685.34888	0.3
704.73566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58434	0.3
59.01374	4.7
61.98832	25.6
65.21851	0.4
68.38370	0.3
71.01380	4.0
71.75298	0.4
72.68836	0.3
72.99324	0.4
73.02946	0.7
75.00901	0.4
80.02680	0.9
81.03468	1.0
83.01379	0.7
83.05027	4.7
84.02168	0.5
85.02958	1.0
87.00886	0.7
88.98828	0.4
89.02447	2.7
95.05058	0.7
97.06585	0.6
101.02452	3.5
109.06570	0.6
113.02458	1.9
116.92818	0.4
119.03509	0.5
125.06081	0.6
125.09718	0.5
135.08131	0.5
161.04567	1.5
163.11327	2.7
165.12857	2.2
167.10785	0.6
167.14500	0.5
171.10312	1.6
179.05655	0.5
181.12404	0.7
183.13914	6.8
184.14209	0.4
185.11816	0.3
191.10832	0.8
193.12325	1.2
195.32652	0.3
197.11925	0.4
199.13376	0.6
207.10286	0.4
209.11839	100.0
210.12189	7.1
211.13402	90.7
212.13751	5.5
221.11830	0.4
227.12891	15.2
228.13243	1.1
235.08211	2.9
249.15024	0.6
253.09286	8.6
254.09607	0.5
309.20834	0.5
397.13815	0.5
429.21167	0.8
445.20813	2.8
446.20901	0.4
447.22281	6.0
448.22726	0.5
501.32126	0.6
517.31805	2.1
518.32056	0.5
545.63324	0.4
621.32965	1.5
639.33588	1.4
685.34583	1.2
686.34442	0.5
717.37360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.7
58.00587	1.2
59.01088	1.1
59.01381	16.9
61.98840	1.3
65.01517	0.4
66.62885	0.4
71.01385	15.5
72.01683	0.4
72.99315	2.1
73.02953	1.0
83.01401	1.3
85.02966	3.2
87.00888	1.6
89.02448	11.6
95.01414	1.2
98.20623	1.2
101.02461	8.7
108.02197	0.5
113.02469	4.8
115.00383	1.9
119.03516	4.9
119.05057	2.0
121.02964	5.4
123.00887	1.1
125.02450	1.8
129.02010	0.5
130.08702	0.7
131.03601	0.5
135.04488	1.1
137.02489	0.5
138.03268	1.5
147.04541	52.3
148.04878	3.5
151.04060	0.7
152.01219	0.6
153.01961	0.6
153.05605	9.5
154.05853	0.6
161.04684	0.9
161.06056	1.0
162.83215	0.5
165.01846	0.8
165.05582	7.1
167.03571	0.7
167.07091	0.6
169.01414	1.9
175.02287	0.5
179.05586	2.2
179.07025	0.6
191.05592	1.3
197.04568	18.0
197.06390	1.1
198.04951	2.1
200.53403	0.5
201.05351	0.5
203.03506	0.7
210.51863	0.4
211.02454	0.5
221.11951	0.5
231.03026	0.7
249.04070	1.3
258.01251	0.6
270.11420	1.1
275.01993	1.9
299.99319	0.7
300.99921	5.5
302.00177	0.7
313.05548	1.8
315.07367	1.0
315.10837	3.5
316.18866	1.4
327.10858	100.0
328.11197	9.9
330.92203	0.5
403.12680	2.7
477.03729	0.7
514.05591	0.5
555.22357	0.6
581.92914	0.5
717.19519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29581	0.4
56.12366	0.4
58.00586	0.6
59.01382	8.2
61.98833	100.0
62.98537	0.6
63.85023	0.4
63.99258	0.5
71.01390	4.3
71.68974	0.4
71.73800	0.7
72.87392	0.4
72.99326	1.1
73.02971	0.9
81.03492	0.5
83.01407	0.7
85.02983	1.7
87.00903	1.6
89.02451	4.4
93.03488	2.0
95.01413	0.9
97.02962	0.5
99.04517	0.5
101.02460	2.1
104.44237	0.4
106.11420	0.5
107.01445	0.6
108.02171	0.5
109.02995	0.7
111.00912	0.6
113.02422	0.5
115.00424	0.5
116.92870	0.5
119.03552	0.6
120.01278	5.4
121.02979	2.7
122.03765	7.1
123.00917	1.3
123.04549	1.3
123.08178	1.1
124.01760	0.6
125.02478	3.6
133.02989	1.1
134.03796	0.9
135.04547	0.9
136.01698	1.7
137.02504	1.8
138.03325	0.5
146.03674	0.6
149.02467	11.7
149.03578	0.7
149.06064	2.3
150.03247	42.6
150.06865	1.0
151.04010	3.6
152.01167	0.8
154.19432	0.4
160.01741	0.6
161.02481	1.3
162.06975	1.1
163.04027	0.6
163.07709	1.0
164.04836	3.5
165.05591	40.5
166.05928	3.4
167.03546	0.7
167.07219	0.8
168.00700	0.8
169.01413	4.0
175.03935	0.5
177.05650	0.9
179.03511	0.8
179.07103	0.8
180.04333	3.7
181.05092	3.8
181.08827	1.0
187.09828	2.6
191.07240	0.5
194.05917	1.0
195.06653	16.3
196.07176	3.4
203.09309	0.5
209.08195	3.9
211.09712	4.2
212.04761	1.1
217.10820	2.9
227.03568	0.8
227.13225	0.5
228.04315	0.5
233.10373	0.5
237.07729	1.0
249.04132	0.5
251.07022	0.5
256.03836	4.7
257.04202	0.5
265.08667	0.5
267.06686	0.8
269.08572	0.5
279.06516	0.6
283.09946	0.7
292.07489	0.5
299.09348	0.7
300.99646	0.6
311.09396	2.1
312.10001	0.8
313.06006	0.5
313.13138	1.2
325.11029	1.1
327.08813	0.8
339.08813	0.7
341.14059	1.1
343.11945	0.8
345.13553	1.2
354.13223	3.7
357.13589	2.5
367.14087	0.7
377.55536	0.9
417.16043	0.5
443.14029	0.6
456.14243	0.9
457.15189	1.2
461.14987	1.5
462.14777	0.7
471.16772	1.1
473.14557	4.0
474.15274	0.7
476.16788	4.3
488.17310	2.2
489.17899	1.8
490.18619	1.3
491.19211	27.9
492.19684	4.8
503.19180	14.0
504.19714	2.5
505.18994	0.7
521.20496	0.7
555.21649	1.4
563.21869	0.9
639.24451	2.7
640.25604	0.7
651.24640	9.5
652.24994	2.6
669.25635	15.4
669.36359	0.9
670.25873	3.9
678.50665	0.8
699.27246	1.6
716.47772	7.8
717.28296	20.6
717.37561	5.3
717.48676	10.4
718.27478	5.0
718.39484	0.7
718.48810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31010	0.4
53.52925	0.5
57.03459	0.7
59.01383	9.4
59.01667	0.9
61.98830	11.3
69.03461	0.7
69.74007	3.3
71.01384	5.6
72.99319	1.1
73.02966	0.7
83.01398	1.1
85.02966	1.8
87.00893	2.1
87.04585	0.5
89.02439	3.9
93.03465	4.1
95.01385	0.6
95.05020	0.7
96.96019	0.8
97.02985	0.6
98.20512	0.8
99.00888	0.5
101.02425	2.8
105.03467	0.6
107.01436	1.3
108.02201	1.1
109.02943	1.1
113.02468	1.5
119.03500	0.8
119.64616	0.5
121.02972	5.9
122.03764	15.8
122.04610	1.1
123.00916	1.6
123.04600	1.4
123.77253	0.6
124.01724	0.8
125.02467	5.7
132.02245	0.7
133.02988	1.9
134.03746	1.1
135.04477	1.3
136.01698	2.0
137.02443	2.5
139.04015	0.7
144.44347	0.5
145.02995	0.5
147.04544	0.9
149.02463	19.8
149.06105	1.4
150.03244	100.0
151.00383	1.1
151.03613	5.4
152.01009	0.6
153.09267	1.2
158.03796	0.6
161.02429	1.0
161.06143	0.7
162.06897	1.9
163.04024	0.6
163.07664	0.8
164.04869	3.7
165.05582	95.6
166.02632	0.6
166.05910	4.6
167.07114	0.6
168.00655	0.8
169.01453	6.6
170.01804	0.7
177.05629	1.0
177.09271	0.9
179.03575	0.9
179.05582	0.8
179.07161	1.0
179.10779	0.6
180.04305	7.2
181.05016	2.0
181.08691	1.0
182.05836	3.0
183.03078	1.2
183.04611	0.6
183.83241	0.6
187.09801	2.0
195.06635	43.0
196.06963	2.6
197.08194	1.8
207.06490	0.7
209.08205	0.8
212.04813	2.1
217.10765	3.1
227.03531	0.9
227.12843	0.6
228.04240	0.8
251.07063	0.8
256.03757	8.6
265.04913	0.9
267.06650	1.0
279.06512	1.4
281.08115	0.9
283.10062	0.6
292.07327	1.5
299.09238	1.1
301.00000	0.7
311.09329	1.2
312.09943	1.1
313.05652	1.8
313.13147	1.1
325.10675	1.0
327.08646	1.2
327.12302	0.6
330.11084	1.2
339.08719	0.8
342.11014	1.1
345.13315	1.6
354.13184	3.3
355.13785	0.9
357.13458	3.4
367.13980	0.6
417.15219	1.4
433.14957	0.7
455.13379	0.7
456.14063	1.5
457.14874	2.7
458.15707	0.8
461.14377	1.9
471.16589	1.8
473.14478	6.8
474.14865	1.1
476.16974	6.7
477.16916	0.9
488.16821	3.4
489.17490	2.0
491.19199	57.9
492.19672	7.7
503.19208	32.1
504.19455	4.9
506.19183	1.1
507.19482	0.9
521.19855	1.9
533.13019	1.3
553.20953	0.8
555.21869	0.7
565.15784	3.6
589.06256	0.6
629.22595	0.7
639.24390	1.0
651.24738	5.6
652.24860	1.3
669.25641	9.9
670.25439	2.5
679.37067	0.7
680.38965	0.6
681.36517	0.8
699.26117	1.1
699.36566	0.9
717.27435	26.0
718.28223	5.2
718.38470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29581	0.4
56.12366	0.4
58.00586	0.6
59.01382	8.2
61.98833	100.0
62.98537	0.6
63.85023	0.4
63.99258	0.5
71.01390	4.3
71.68974	0.4
71.73800	0.7
72.87392	0.4
72.99326	1.1
73.02971	0.9
81.03492	0.5
83.01407	0.7
85.02983	1.7
87.00903	1.6
89.02451	4.4
93.03488	2.0
95.01413	0.9
97.02962	0.5
99.04517	0.5
101.02460	2.1
104.44237	0.4
106.11420	0.5
107.01445	0.6
108.02171	0.5
109.02995	0.7
111.00912	0.6
113.02422	0.5
115.00424	0.5
116.92870	0.5
119.03552	0.6
120.01278	5.4
121.02979	2.7
122.03765	7.1
123.00917	1.3
123.04549	1.3
123.08178	1.1
124.01760	0.6
125.02478	3.6
133.02989	1.1
134.03796	0.9
135.04547	0.9
136.01698	1.7
137.02504	1.8
138.03325	0.5
146.03674	0.6
149.02467	11.7
149.03578	0.7
149.06064	2.3
150.03247	42.6
150.06865	1.0
151.04010	3.6
152.01167	0.8
154.19432	0.4
160.01741	0.6
161.02481	1.3
162.06975	1.1
163.04027	0.6
163.07709	1.0
164.04836	3.5
165.05591	40.5
166.05928	3.4
167.03546	0.7
167.07219	0.8
168.00700	0.8
169.01413	4.0
175.03935	0.5
177.05650	0.9
179.03511	0.8
179.07103	0.8
180.04333	3.7
181.05092	3.8
181.08827	1.0
187.09828	2.6
191.07240	0.5
194.05917	1.0
195.06653	16.3
196.07176	3.4
203.09309	0.5
209.08195	3.9
211.09712	4.2
212.04761	1.1
217.10820	2.9
227.03568	0.8
227.13225	0.5
228.04315	0.5
233.10373	0.5
237.07729	1.0
249.04132	0.5
251.07022	0.5
256.03836	4.7
257.04202	0.5
265.08667	0.5
267.06686	0.8
269.08572	0.5
279.06516	0.6
283.09946	0.7
292.07489	0.5
299.09348	0.7
300.99646	0.6
311.09396	2.1
312.10001	0.8
313.06006	0.5
313.13138	1.2
325.11029	1.1
327.08813	0.8
339.08813	0.7
341.14059	1.1
343.11945	0.8
345.13553	1.2
354.13223	3.7
357.13589	2.5
367.14087	0.7
377.55536	0.9
417.16043	0.5
443.14029	0.6
456.14243	0.9
457.15189	1.2
461.14987	1.5
462.14777	0.7
471.16772	1.1
473.14557	4.0
474.15274	0.7
476.16788	4.3
488.17310	2.2
489.17899	1.8
490.18619	1.3
491.19211	27.9
492.19684	4.8
503.19180	14.0
504.19714	2.5
505.18994	0.7
521.20496	0.7
555.21649	1.4
563.21869	0.9
639.24451	2.7
640.25604	0.7
651.24640	9.5
652.24994	2.6
669.25635	15.4
669.36359	0.9
670.25873	3.9
678.50665	0.8
699.27246	1.6
716.47772	7.8
717.28296	20.6
717.37561	5.3
717.48676	10.4
718.27478	5.0
718.39484	0.7
718.48810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
61.98830	100.0
62.98537	0.2
62.99269	0.1
71.01391	0.2
76.03873	0.1
78.95942	0.1
88.98839	0.1
89.02456	0.2
101.02486	0.1
111.25347	0.1
113.02399	0.1
113.53445	0.1
116.92871	0.1
119.03564	0.1
166.40013	0.1
206.61995	0.1
209.11855	0.1
211.13428	0.1
229.79158	0.1
255.23355	0.3
256.23645	0.3
257.24023	0.1
397.13617	0.1
398.13824	0.1
399.13998	0.3
400.14380	0.2
416.14731	0.1
417.15182	0.1
695.04889	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	717.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50455	0.8
54.71061	0.7
57.03449	1.3
59.01379	9.6
60.99300	1.2
61.12436	0.8
61.98830	41.3
63.99213	0.7
67.01893	1.9
69.03457	1.7
69.43628	1.8
69.44037	5.4
69.63590	0.7
71.01378	11.5
72.99324	1.1
73.02966	2.3
75.00872	1.6
79.01902	1.3
83.01394	4.2
85.02962	3.8
87.00882	2.7
88.98808	8.5
89.02438	4.4
93.03472	1.5
95.01414	3.4
96.96012	1.7
97.02969	2.0
97.04753	0.6
98.20584	1.1
99.00887	2.4
99.28129	0.6
101.02452	4.8
107.01398	15.5
108.02216	3.9
109.02968	5.8
111.00888	4.4
113.02480	5.4
114.03187	0.7
114.93427	0.7
115.04041	0.9
116.92854	0.6
119.03524	1.2
120.01269	2.4
121.02971	2.5
123.00891	14.1
123.04543	1.8
123.08192	0.7
124.01690	2.4
125.02460	79.5
126.02816	2.1
127.00401	0.8
133.02899	0.9
134.03755	0.8
135.04535	2.6
136.01677	42.4
136.91217	0.7
136.98860	1.1
137.02473	31.0
138.03310	8.7
139.00403	5.3
139.04018	2.7
140.01175	5.9
141.01907	1.6
145.02975	1.5
146.03772	0.8
147.04558	1.8
149.02486	2.2
149.06071	1.0
150.03230	3.6
151.00418	9.4
151.04021	42.5
152.01126	2.1
152.04440	2.2
153.01936	3.1
153.05583	1.6
159.04512	2.8
160.05286	6.4
161.02441	2.4
161.04578	1.0
161.06068	2.0
162.03320	1.1
163.04010	2.8
164.04825	2.2
164.08382	1.1
165.01962	1.8
165.04111	0.7
165.05565	2.3
166.02634	0.8
166.99831	0.9
167.03456	1.3
168.00668	7.5
169.01439	100.0
170.01764	4.3
175.04001	2.7
175.07652	2.8
176.04761	2.7
177.01945	1.6
177.05620	2.2
179.03548	2.0
179.05702	0.7
179.07101	1.6
180.04330	1.5
181.05038	1.7
181.08727	0.7
182.05832	2.9
183.02989	11.6
184.03661	1.8
187.09749	1.4
189.05566	1.0
191.03502	1.4
191.07178	1.2
192.04282	0.9
193.05029	0.9
194.02110	0.7
195.06631	2.1
197.04532	0.8
197.08223	2.9
201.05656	0.8
203.03462	2.0
204.04195	1.9
205.05054	2.4
206.05762	1.1
207.06630	1.6
209.14883	0.7
211.02472	3.0
217.05078	5.1
217.10742	0.7
218.05791	2.8
219.06607	4.8
220.07185	0.7
223.02484	1.0
226.95805	0.8
233.04497	0.8
233.08160	2.9
235.06090	2.0
236.06856	4.0
237.07600	1.5
241.03264	1.1
251.09213	4.0
253.03358	1.2
255.02948	0.9
256.07327	0.9
271.04611	1.2
271.09680	1.9
287.09457	0.7
312.09760	0.8
313.05652	52.8
314.05954	4.4
315.12357	1.1
325.11472	0.8
327.07047	5.8
327.12473	2.2
328.07523	0.8
329.10297	0.8
337.19608	0.8
341.10498	1.7
345.13318	3.2
357.13339	2.0
371.11325	3.0
373.13120	0.9
385.12296	0.8
388.11676	4.6
389.12265	4.0
397.14871	1.9
400.94205	0.6
403.08533	1.2
403.13968	24.5
404.14145	3.9
465.10413	15.9
466.10510	2.4
507.18350	1.5
507.56131	0.7
519.19037	1.4
519.32874	1.6
534.15106	0.7
551.16754	1.2
555.22021	1.5
565.19031	2.8
655.25671	0.8
657.33423	0.8
667.16754	1.3
673.21704	1.6
678.66455	0.7
681.37634	1.4
685.17908	14.0
686.18756	3.3
686.29150	0.7
699.19440	2.1
717.20398	97.2
717.34357	8.1
718.20740	26.7
718.34192	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	716.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37757	0.1
59.01376	2.6
61.98830	100.0
62.98542	0.3
71.01396	0.2
72.85745	0.1
75.00875	0.2
78.95933	0.2
83.05051	0.1
85.02998	0.1
88.98827	0.2
89.02457	0.1
91.32298	0.1
98.20654	0.2
101.02471	0.2
106.75166	0.1
113.02473	0.1
117.30615	0.1
125.09722	0.4
152.99680	0.1
157.86435	0.1
158.98560	0.1
161.04561	0.1
162.56932	0.1
163.11285	0.2
171.10281	3.0
172.10606	1.0
184.14297	0.1
185.11879	0.2
187.09833	0.1
207.10269	0.1
209.11832	0.8
210.12166	0.1
211.13423	0.5
212.13757	0.4
213.13991	0.2
223.13509	0.2
224.13754	0.3
225.11452	0.2
225.13977	0.1
227.12918	0.2
245.19223	0.1
246.19588	0.1
253.09291	0.5
254.09576	0.1
289.18100	0.7
290.18405	0.5
307.19119	0.3
308.19537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98830	100.0
62.98532	0.1
62.99246	0.1
69.62219	0.4
71.01393	0.2
77.84055	0.0
85.03020	0.0
87.00888	0.0
89.02461	0.2
97.52973	0.0
98.20589	0.1
101.02475	0.1
166.10680	0.0
169.52550	0.0
206.47604	0.0
215.42238	0.1
255.23346	0.2
256.23615	0.3
257.23895	0.1
397.13589	0.1
398.14163	0.2
399.13928	0.3
400.14554	0.2
416.15134	0.1
417.15302	0.1
418.15845	0.1
639.22620	0.0
680.39691	0.1
716.40100	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	715.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10594	0.3
55.01857	0.4
57.03440	1.2
58.24042	0.4
59.01379	8.4
61.98816	1.6
63.67783	0.4
66.67075	0.4
68.99811	0.5
69.03429	0.8
70.78252	0.4
71.01385	10.4
71.56882	0.6
72.99309	3.1
73.02950	1.4
75.00876	10.2
80.02715	0.6
81.03461	1.1
83.01383	0.8
83.05018	3.4
84.02161	0.9
85.02959	13.2
87.00874	3.8
89.02458	2.0
89.05164	0.4
91.01601	0.4
95.01402	3.1
97.02953	0.4
99.00249	0.5
99.00894	7.1
101.02455	1.1
103.00385	1.5
113.02463	13.3
115.00382	1.5
117.01945	1.5
125.09726	0.9
129.76770	0.4
145.93219	0.4
157.01450	0.5
161.09669	0.6
163.11325	2.3
165.12831	1.4
169.17195	0.4
175.02481	1.8
179.10759	1.4
181.12219	0.5
191.10838	0.7
197.11833	5.3
197.21635	0.4
198.12144	0.5
205.07274	0.5
209.11842	38.9
210.12160	2.6
227.12804	3.3
249.06090	1.0
255.23279	38.7
256.23621	3.4
259.85614	0.4
312.82162	0.5
459.18771	0.7
477.19669	1.8
563.07312	0.4
616.61023	0.4
697.42554	0.9
715.42896	100.0
716.43225	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	715.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58111	1.0
57.03439	1.3
58.05314	1.0
59.01385	6.8
60.38252	1.1
60.71918	1.2
61.81189	1.0
61.98829	8.3
62.35131	1.1
65.17604	1.0
65.33893	1.0
66.94549	1.0
69.03461	1.3
70.56050	5.3
71.01388	10.6
72.99318	3.0
75.00880	10.6
78.95940	1.4
85.02953	8.7
87.00866	3.7
95.01378	3.1
95.25483	1.1
98.19923	1.2
99.00903	6.2
109.06576	1.3
111.97583	1.2
113.02459	8.5
117.01885	1.3
163.25485	1.5
165.12888	4.5
170.47314	1.1
175.02538	1.8
183.13916	47.6
184.14265	2.5
200.63554	1.1
227.12894	2.1
255.23289	29.8
256.23624	5.8
539.39923	1.5
585.46222	1.4
653.42761	4.0
715.42841	100.0
716.43134	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30212	0.1
52.06175	0.1
55.87171	0.1
59.01379	1.0
61.43843	0.1
61.98833	100.0
62.98535	0.2
69.48823	0.7
71.01393	0.7
72.99310	0.1
73.02960	0.2
83.01406	0.2
85.02966	0.2
87.00903	0.2
88.98830	0.1
89.02466	0.8
101.02475	0.3
108.02210	0.1
109.02989	0.1
109.83887	0.1
113.02469	0.2
119.03547	0.1
120.01279	0.6
121.02989	0.2
122.03758	0.2
123.00918	0.2
123.04497	0.1
125.02480	0.2
131.03577	0.1
133.02914	0.1
134.03738	0.1
135.04529	0.2
137.02480	0.1
145.05104	0.2
146.03728	0.1
149.02472	0.5
149.04611	0.1
150.03256	1.3
151.03999	0.2
153.01927	0.1
161.02478	0.1
161.04620	0.1
164.04846	0.2
165.01982	0.1
165.05606	1.2
167.03508	0.1
167.07120	0.1
169.01418	0.2
173.06274	0.1
175.02664	0.1
177.05618	0.1
179.05664	0.3
179.07108	0.1
180.04326	0.1
195.06604	0.7
208.50183	0.1
247.08032	0.1
251.09259	0.1
341.10312	0.1
343.14227	0.1
371.14999	0.4
506.19745	0.2
519.20190	0.3
537.21094	0.1
626.22461	0.1
653.24268	0.4
654.25214	0.1
669.25269	0.7
716.30157	0.1
717.26569	0.5
717.39117	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	715.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58543	0.3
57.03447	1.9
58.00606	0.4
59.01376	8.9
61.98829	0.7
67.01887	0.3
68.99816	0.5
69.03447	0.6
70.60277	1.1
71.01384	11.8
72.99313	4.9
73.02944	0.9
75.00875	14.5
80.63670	0.3
81.03471	0.9
83.01390	1.5
83.05038	2.1
84.02171	0.6
85.02956	15.2
87.00880	4.4
89.02460	2.2
89.63671	0.3
95.01392	3.1
95.05009	0.4
99.00893	7.9
101.02424	0.3
103.00381	1.9
108.42461	0.3
111.00989	0.3
113.02459	15.1
114.02802	0.4
115.00395	1.7
117.01964	2.1
125.09740	0.4
127.04073	0.4
129.01947	0.7
147.74362	0.3
157.01474	0.7
163.11314	2.1
165.12883	1.3
175.02504	2.3
182.03305	0.3
193.03568	0.6
199.17183	0.3
205.07217	0.5
209.11839	21.2
210.12202	1.5
227.12968	1.5
231.05058	0.5
249.06169	1.7
255.23283	57.5
256.23578	4.3
435.03131	0.3
459.18808	1.1
477.19687	0.8
487.29153	0.4
505.30005	2.4
506.30371	0.5
554.87817	0.4
697.41864	1.0
715.42877	100.0
716.43225	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	715.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
59.01377	1.3
61.98833	7.2
64.84667	0.2
66.78167	0.2
69.41570	1.1
69.41995	1.0
71.01385	0.9
72.99324	0.2
76.72105	0.2
83.05038	0.4
85.02960	0.3
87.00877	0.4
88.98813	0.3
89.02443	0.5
96.96013	1.7
97.02972	0.2
97.06609	0.3
101.02468	0.8
111.00864	0.2
111.08174	1.1
113.02427	0.5
116.92857	0.3
118.96335	0.2
121.02959	0.2
125.02441	0.5
137.02495	0.3
150.03244	1.9
151.07704	0.2
161.04533	0.3
165.01964	0.5
165.05565	2.6
165.12863	19.2
166.05750	0.2
166.13185	1.1
169.01447	0.3
179.03514	0.3
180.04222	0.4
181.12373	0.4
183.13913	84.1
184.14259	4.9
191.10892	0.3
195.06621	1.9
209.11871	2.2
210.12161	0.4
215.81796	0.2
216.67216	0.2
227.12892	100.0
228.13226	7.9
300.99850	0.2
323.25546	0.3
357.26544	1.7
358.26178	0.2
395.17999	0.2
437.31384	0.3
455.10541	0.2
493.35361	1.2
517.31665	6.5
518.32141	1.1
653.31665	0.6
655.43585	0.4
679.38574	0.6
715.27216	0.4
715.38745	0.7
745.57617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87060	0.1
54.59083	0.1
55.01875	0.2
59.01378	2.4
61.29724	0.2
61.98832	1.7
69.87659	0.8
71.01385	1.8
71.05022	0.2
72.99325	0.1
73.02946	0.5
78.31423	0.1
80.02672	0.3
81.03461	0.4
82.19420	0.1
83.01411	0.3
83.05039	1.7
84.02219	0.2
85.02953	0.6
87.00876	0.6
89.02444	1.0
95.01404	0.2
95.05035	0.3
99.93674	0.1
101.02454	1.6
109.06586	0.3
113.02457	0.8
119.03522	0.3
125.02410	0.2
125.09732	0.3
129.89555	0.1
133.05049	0.1
135.08128	0.3
145.05061	0.7
161.04590	0.7
163.11292	1.3
165.12849	0.9
179.05508	0.2
181.12375	0.4
183.13857	0.2
187.09659	0.2
191.10782	0.3
207.10254	0.6
209.11832	100.0
210.12167	7.7
211.13446	0.9
225.11307	0.3
227.12878	5.3
228.13161	0.5
235.08229	4.5
236.08438	0.2
253.09256	4.0
254.09621	0.4
309.20804	0.3
358.89465	0.2
445.20740	3.1
446.21027	0.3
637.32397	0.4
655.33942	0.2
715.37219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.4
59.01078	1.4
59.01380	34.5
61.98834	46.7
67.01904	0.8
69.03454	1.9
69.20175	0.6
71.01387	13.5
72.99338	1.0
73.02956	2.6
75.00862	0.9
78.95912	0.9
80.02672	1.8
81.03465	4.2
83.01390	2.2
83.05024	5.1
85.02970	3.4
87.00880	3.5
88.98795	1.4
89.02456	9.2
93.03471	0.8
95.01389	1.1
95.05030	1.8
97.02966	8.6
97.06602	7.6
99.00898	2.2
101.02464	11.7
107.05025	0.9
109.06610	42.6
110.01087	0.8
110.03754	1.4
110.06947	2.4
111.04476	0.9
111.08175	2.4
113.02467	6.3
119.03483	1.4
121.06602	3.0
123.08186	4.2
125.02418	1.0
125.09743	43.2
126.10056	2.2
135.08165	4.9
136.05350	0.9
142.02730	3.0
145.05035	1.8
161.04596	3.8
161.09778	2.0
163.11301	23.2
164.11650	1.6
167.14417	0.9
169.08615	0.9
171.10260	3.3
179.05658	1.7
179.10722	0.9
181.12332	5.5
183.13950	7.9
185.11800	3.8
187.09766	21.5
188.10033	0.8
189.09171	3.3
193.12334	3.1
197.11853	6.6
199.13390	0.9
207.10277	94.8
208.10620	6.4
209.11838	14.7
211.13411	100.0
212.13705	6.6
219.34224	0.8
223.13498	0.9
225.11336	48.6
226.11647	3.4
227.12886	2.7
235.08246	5.8
243.12386	1.0
248.10266	0.9
253.09288	15.2
254.09535	1.3
263.16617	1.1
281.13962	1.3
286.21039	1.0
291.19727	2.6
299.15250	1.5
309.20703	3.5
329.24951	1.3
339.23254	3.0
339.89609	0.7
357.24359	2.1
373.23883	4.8
374.24121	1.3
375.21655	1.1
383.22324	6.7
384.22311	1.0
385.13538	1.0
391.24783	4.5
392.25204	1.0
401.23322	15.6
402.23758	1.5
405.17807	2.0
419.24481	6.5
420.24841	1.2
423.18777	4.3
443.19135	5.6
447.22372	2.2
461.20258	16.8
462.20349	2.6
487.34384	1.0
609.32501	4.5
610.33844	1.0
611.30511	1.1
619.31506	3.2
620.31537	1.3
637.21112	1.2
637.32349	43.0
638.32794	11.3
655.33417	44.6
656.33588	10.0
656.43390	1.0
715.39294	49.8
716.39362	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	715.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.9
60.99305	3.3
61.98834	15.1
71.01391	3.3
71.73325	0.5
71.73701	0.5
72.09081	0.4
72.99313	0.7
73.02930	0.5
75.00873	0.5
83.01402	0.5
85.02938	0.7
87.00902	0.5
88.98814	15.6
89.02464	2.1
89.99121	0.4
96.96017	0.8
101.02471	1.8
113.02471	1.2
116.92899	0.5
117.03159	0.4
119.03494	0.4
119.08627	0.4
123.00829	0.4
125.02457	1.3
141.09142	0.5
150.06818	0.3
157.08707	0.7
169.01416	0.7
177.01826	0.3
184.12598	0.3
188.43620	0.3
203.09233	1.4
244.00198	0.4
274.75525	0.4
285.03976	0.4
299.99066	3.1
300.99902	10.1
302.00217	1.1
329.13928	0.6
407.29385	0.5
409.31235	0.6
427.92801	0.4
437.30630	4.9
438.30820	0.7
454.30798	0.7
455.31708	10.0
456.32074	1.9
471.31290	0.4
473.32910	0.4
499.30576	1.5
500.31082	0.3
517.31708	19.2
518.31934	4.0
529.25922	0.3
559.32538	2.4
653.31482	1.1
679.37213	100.0
680.37512	27.5
697.38623	0.6
715.19177	2.8
715.35809	2.1
716.19037	1.0
716.35602	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	715.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36858	0.3
55.56490	0.3
57.03430	0.4
58.00576	0.5
59.01128	0.5
59.01381	6.4
60.99303	0.8
61.98833	22.1
71.01385	2.9
71.05029	2.3
73.02959	0.5
75.00863	0.4
83.01379	0.5
83.05005	0.7
85.02950	1.5
88.98813	3.3
89.02444	2.3
95.01445	0.5
96.96040	0.7
98.19891	0.8
101.02454	1.9
103.80444	0.3
106.01943	0.3
106.20380	0.4
109.02946	0.6
113.02444	1.3
116.92908	0.6
119.03422	0.4
123.00896	0.5
123.04515	0.5
125.02472	1.6
127.55344	0.4
136.01625	1.2
137.02473	0.5
139.00360	0.4
150.03242	1.7
151.00377	1.3
151.04004	1.3
152.01189	0.5
163.03990	0.6
165.01936	0.7
165.05609	1.8
167.03503	0.6
169.01418	1.1
177.01949	0.4
180.04253	0.7
183.02939	0.4
195.06656	1.4
209.11693	0.6
227.12813	0.5
229.36563	0.4
256.03430	0.4
271.02237	0.5
285.04111	0.6
299.99078	0.9
300.02521	0.8
300.99872	1.0
301.03418	1.5
302.03854	0.7
303.05005	0.8
311.07724	1.6
327.10785	0.4
327.21649	1.1
329.14093	0.4
357.26581	1.4
359.67926	0.4
367.68231	0.4
374.17609	0.3
377.28369	0.9
403.13852	0.6
411.32477	0.4
419.29297	0.8
421.27832	0.4
437.30643	6.5
438.30887	1.0
455.31662	5.0
456.32291	1.0
473.32858	0.8
499.30505	2.7
500.31146	0.7
515.30005	0.5
517.31641	17.9
518.32104	4.3
553.25671	0.4
559.32904	1.0
632.00464	0.4
652.14026	1.5
653.32117	0.6
679.37213	100.0
680.37543	25.9
715.33728	2.0
744.92102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53185	0.2
53.08900	0.2
58.00636	0.4
59.01119	0.3
59.01382	7.0
61.98835	1.7
64.13959	0.2
69.53936	1.1
69.54363	0.6
71.01389	1.9
72.99366	0.6
73.03004	0.8
75.00940	0.3
81.03524	0.2
84.90974	0.2
85.02959	1.5
87.00880	2.0
89.02450	1.6
96.79762	0.2
99.00918	0.2
101.02448	1.4
103.04108	0.6
107.05091	0.2
108.02253	0.2
109.03066	0.4
111.00975	0.6
113.02518	0.4
119.03556	0.3
119.05099	0.3
120.99838	0.2
121.03004	0.3
123.00944	0.2
124.01741	0.2
125.02483	1.0
127.04104	0.2
135.04581	0.2
137.02480	1.7
137.06110	0.2
138.03252	5.4
140.01253	0.3
147.04562	1.0
150.03333	0.2
151.04025	14.2
152.04466	0.6
163.04095	0.2
164.04800	4.5
164.06085	0.3
165.05598	3.1
165.78932	0.2
166.06187	0.2
169.01494	0.6
170.02184	0.9
179.07220	0.3
180.04323	0.5
182.05872	4.4
183.06642	8.2
184.07127	0.5
191.05653	0.6
197.08195	3.2
211.06125	9.2
212.06509	0.7
224.06995	0.5
225.07701	1.6
227.03555	0.3
232.20990	0.2
255.02991	0.3
271.02560	0.5
279.83945	0.2
300.02856	0.9
302.66989	0.2
315.05087	2.6
316.05283	0.3
328.11642	26.6
329.11942	2.8
343.13980	100.0
344.14334	11.2
447.09283	0.5
491.08151	0.5
492.08255	0.2
535.07318	0.3
553.22845	8.0
554.23456	1.4
633.63605	0.2
677.87500	0.2
715.27222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.7
57.03436	0.5
59.01376	4.3
60.99311	1.1
61.98832	45.1
63.15023	0.4
63.99261	2.0
65.00322	0.6
67.01907	1.3
68.99834	0.8
69.03447	2.1
69.73050	3.0
71.01392	7.3
72.99316	1.2
73.02955	1.0
75.00870	1.4
79.01903	1.5
83.01405	2.1
85.02966	1.6
87.00904	1.8
88.98820	7.0
89.02471	1.8
93.03469	0.8
95.01379	3.7
96.96028	1.2
96.99314	0.6
97.02972	1.7
99.00898	0.7
101.02454	2.8
102.53751	0.4
106.67438	0.5
107.01407	17.3
108.02262	0.7
109.02953	1.4
111.00915	3.2
112.98844	0.5
113.02448	2.5
116.92902	1.7
119.03527	0.6
121.02997	2.2
122.03792	0.5
123.00903	16.4
123.04514	1.2
124.01746	3.2
125.02464	73.7
126.02794	3.1
127.00411	1.3
132.97191	0.4
135.04576	0.9
136.01680	17.0
136.98836	1.7
137.02493	4.0
138.03191	0.5
139.00385	5.7
139.04044	4.7
140.01187	5.8
141.02000	2.6
145.02988	1.0
146.03729	0.4
147.04578	2.0
149.02449	0.9
149.06076	0.5
150.03242	1.7
151.00389	8.5
151.04021	13.3
152.00954	0.4
152.04382	1.0
153.01907	1.2
159.04596	0.7
161.02460	0.5
161.04573	0.9
163.04031	1.0
164.04808	3.1
165.01917	1.5
165.05580	1.6
166.99883	1.2
167.03461	0.9
168.00662	8.9
169.01443	80.3
170.01770	3.0
171.10260	0.5
173.05984	0.5
175.04056	0.8
176.04781	0.5
177.05583	1.6
179.03537	0.9
179.05771	0.6
179.07124	2.4
180.04308	0.6
181.01454	0.5
182.02187	0.6
183.03008	17.9
184.03336	0.6
187.04083	0.5
192.04437	0.4
193.01372	0.7
193.05275	0.5
195.06641	1.0
197.04472	0.7
205.05106	0.8
207.10211	0.5
209.04582	1.5
209.11829	1.0
211.02441	1.9
223.02516	0.5
241.03592	1.8
253.03473	0.7
297.06308	0.8
297.11319	0.8
298.12054	1.6
301.03348	0.6
312.04749	1.9
313.05630	19.4
314.05838	1.4
327.07153	3.4
327.21622	0.8
328.12967	1.1
329.13635	0.4
330.13922	0.5
343.15506	1.6
355.11945	0.5
357.13339	0.5
357.26346	1.1
387.14059	0.6
517.31427	2.1
549.19153	0.9
633.46948	0.5
653.32562	1.1
677.34467	0.6
679.37177	1.0
683.08319	1.1
683.19995	18.8
684.20538	4.7
715.22540	100.0
716.22906	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	713.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
56.28188	0.2
57.03455	0.7
59.01382	100.0
60.01717	1.4
61.98835	8.5
63.37826	0.2
71.01392	11.0
72.01731	0.2
72.99319	0.5
73.02951	4.0
73.03322	0.2
83.01400	2.5
84.59452	0.2
85.02960	5.9
87.00900	0.7
88.98822	0.5
89.02463	1.4
91.33442	0.2
95.01414	0.9
96.96028	0.3
97.02968	0.3
99.00900	1.4
101.02459	9.2
109.02943	0.2
111.00909	0.4
113.02479	4.4
119.03549	0.4
125.02483	0.6
125.09744	0.4
129.01938	0.3
131.03490	0.3
143.03554	0.5
151.59822	0.2
159.03052	1.0
161.04590	2.4
163.51100	0.2
171.10307	0.6
209.11902	0.7
211.13448	0.4
227.12885	0.3
240.30940	0.2
344.03534	0.3
421.83817	0.2
465.52084	0.3
473.36185	0.3
475.34775	0.4
491.37457	5.1
492.37515	0.7
653.42792	68.1
654.43121	14.5
697.42322	0.3
697.56091	0.2
713.35223	0.2
713.45404	3.4
714.45441	1.1
726.24249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37581	1.4
59.01377	13.5
61.40472	1.2
61.98825	3.7
71.01385	13.3
71.65224	2.5
72.99305	7.4
73.02924	1.4
75.00876	14.3
79.95734	3.4
85.02948	14.0
87.00884	6.0
89.02449	3.4
95.01410	2.3
97.02934	2.6
99.00903	8.1
101.78526	1.2
103.00379	1.3
109.06617	11.6
113.02462	15.1
115.00382	2.1
117.01897	1.7
135.08141	1.8
136.05302	1.4
163.11258	5.6
175.02473	2.4
181.12273	2.2
190.68405	1.2
207.10281	19.7
225.11316	9.5
248.04044	1.3
255.23291	35.1
256.23578	4.4
288.19290	1.6
475.17801	1.9
492.69714	1.4
505.29941	2.0
521.98212	1.4
561.05249	1.5
695.39258	1.6
713.41260	100.0
714.41620	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	713.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01105	0.5
55.01865	1.5
56.45449	0.5
57.03440	1.8
58.00593	1.2
59.01379	68.2
60.01714	1.0
60.31248	0.4
61.98830	68.6
62.98536	0.7
63.99259	0.7
69.03469	0.6
71.01385	35.0
71.07800	1.0
71.08156	1.0
72.01730	0.6
72.99313	2.5
73.02953	5.9
75.00890	0.8
78.95924	0.6
83.01388	2.8
85.02959	10.9
86.03307	0.5
86.11639	0.5
87.00896	1.6
87.04510	0.5
88.98795	2.5
89.02451	19.6
93.44016	0.5
95.01406	3.4
96.96004	1.7
97.02964	1.0
99.00904	2.7
101.02457	20.8
110.27486	0.5
113.02470	13.4
116.92873	2.0
119.03519	7.3
119.04982	0.6
121.02968	0.6
125.02475	1.6
131.03540	0.9
143.03510	2.4
159.02997	1.4
161.04584	9.9
169.01331	0.7
171.10306	0.8
179.05646	6.0
197.11914	0.9
197.18246	0.5
198.46794	0.5
209.11830	2.2
211.13432	1.9
212.03268	0.5
218.19855	0.5
223.34158	0.6
227.03546	1.2
227.12848	0.8
255.03000	1.9
284.03061	2.6
285.04016	2.9
286.04178	0.6
473.36273	2.8
491.37421	5.1
492.37616	0.8
607.42877	0.7
653.42816	100.0
654.43127	26.1
654.54218	1.1
677.15527	3.4
678.15283	0.7
713.34875	1.2
713.45825	0.9
714.34857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66885	0.4
57.03457	0.6
59.01377	15.5
61.98829	9.8
61.99126	0.6
69.03474	1.8
71.01386	3.4
71.05051	0.7
71.29925	0.5
71.30264	0.8
73.02971	0.7
76.40142	0.3
78.95949	0.4
82.71912	0.3
83.01408	0.5
83.05064	1.0
85.02995	0.9
87.00912	1.0
88.98833	0.4
89.02451	2.2
97.06618	0.5
101.02450	3.9
109.06636	1.0
111.08178	0.5
113.02449	2.1
114.53330	0.4
119.03571	0.9
123.65145	0.4
125.02418	0.5
125.09735	2.3
143.03554	0.5
145.05164	0.5
146.34816	0.4
149.09705	0.5
161.04576	1.6
161.13411	0.4
165.12830	0.4
167.10760	2.3
167.14392	0.5
179.05635	0.9
179.10751	0.6
179.14490	2.0
183.13889	7.0
187.09772	1.2
193.12366	1.7
195.13902	6.9
196.14188	0.4
197.11720	0.4
199.86745	0.4
201.11317	0.6
205.12321	7.7
209.11821	1.5
211.13399	100.0
212.13731	6.5
223.13387	73.7
224.13750	5.3
235.08179	3.3
253.09264	6.7
277.21844	0.7
278.24902	0.4
281.31842	0.4
293.21243	0.9
397.13513	1.4
399.25381	1.3
417.26172	1.2
429.21002	0.9
441.21194	2.2
447.16437	0.7
447.22330	9.5
448.22507	1.4
450.95981	0.4
459.22339	11.5
460.22705	1.8
523.68060	0.4
563.04645	0.4
609.32770	0.9
635.34534	3.1
636.35327	0.8
653.35272	3.9
654.35400	0.8
713.34283	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	713.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
58.00587	1.2
59.01381	21.0
61.98830	1.0
68.81750	0.4
69.61742	3.7
71.01387	17.5
72.01749	0.5
72.99319	1.6
73.02952	0.6
74.99084	0.5
75.00883	1.1
83.01400	0.8
85.02959	3.2
87.00879	2.6
88.28982	0.4
89.02455	29.1
90.02779	0.8
95.01408	1.5
99.00951	0.6
101.02460	11.1
102.98600	0.4
109.02959	0.9
111.00899	0.8
113.02468	8.1
115.00371	1.9
116.92867	0.6
119.03518	12.1
120.99692	0.4
121.02957	3.5
123.00875	0.7
124.51553	0.4
124.81968	0.4
125.02460	2.7
131.03496	1.9
133.03023	0.7
135.04529	0.8
137.02432	1.1
143.03528	5.0
144.03754	0.5
145.02991	5.0
146.03661	0.8
149.04578	2.3
151.00389	0.4
161.04562	6.5
166.06352	0.5
167.07169	9.6
169.01454	2.0
175.02487	2.4
175.03929	0.7
177.02098	0.5
179.05632	37.1
180.05974	0.9
189.08875	0.5
191.05721	0.7
195.06664	0.6
201.01910	0.4
203.03494	0.7
209.04628	0.5
211.02415	0.5
211.07663	0.8
225.05553	0.8
225.09248	0.6
238.06110	0.5
239.07149	1.3
249.03799	1.1
249.06219	1.0
250.06331	1.1
251.07167	2.1
253.05072	2.2
253.08849	0.7
255.10196	0.9
256.10992	9.5
257.11319	0.5
265.08789	2.8
267.06616	3.7
267.10291	1.6
269.08127	0.5
275.01926	1.5
280.08548	0.5
281.08194	1.0
282.09003	1.2
283.09744	3.9
284.10504	6.7
285.10861	0.6
289.07382	0.5
294.09167	0.6
295.09750	7.6
296.10510	15.0
297.11255	6.2
300.99884	3.9
302.00397	0.6
310.08484	6.7
310.11844	0.6
311.09244	29.8
312.10010	49.5
313.10449	4.0
315.12399	1.5
327.12381	100.0
328.12698	10.0
345.13394	0.9
359.15115	0.6
371.09650	3.6
474.15610	0.6
477.17566	4.6
489.17661	1.7
491.19122	2.8
507.18604	3.4
602.69934	0.6
676.88867	0.5
713.23975	1.8
714.24249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91359	0.1
59.01380	0.8
61.98832	100.0
62.98536	0.2
63.68322	0.1
69.85438	0.1
69.85843	0.3
71.01402	0.3
73.02972	0.1
85.02975	0.1
88.98849	0.1
89.02459	0.1
96.96062	0.1
98.19861	0.1
101.02476	0.1
116.34650	0.1
116.92881	0.1
119.03570	0.1
123.00865	0.1
125.02472	0.1
150.03235	0.1
161.04494	0.1
165.05608	0.2
197.11899	0.1
209.11842	0.3
210.12267	0.1
223.62875	0.1
240.82576	0.1
355.25204	0.1
435.46988	0.1
487.34372	0.2
488.34744	0.5
489.34891	0.6
490.35336	0.8
515.30310	0.2
533.31512	0.1
551.25031	0.2
609.61322	0.1
653.43372	0.1
677.35266	0.1
712.40936	0.2
713.38373	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
59.28580	0.1
61.98831	100.0
62.98536	0.2
69.68272	0.5
71.01398	0.4
73.02959	0.1
75.00867	0.1
79.25922	0.1
80.96510	0.1
83.01379	0.1
85.02975	0.2
87.00890	0.1
88.04023	0.1
88.98837	0.3
89.02457	0.3
95.01411	0.1
96.96024	0.1
99.92587	0.1
101.02475	0.2
103.71703	0.1
108.02210	0.2
113.02499	0.2
115.03823	0.1
116.92846	0.5
121.02953	0.1
123.00891	0.1
123.04559	0.1
125.02467	0.2
135.04582	0.1
137.02422	0.1
150.03278	0.3
152.01183	0.2
153.01927	0.1
157.89801	0.1
165.05611	0.3
169.01468	0.1
177.01961	0.1
179.10718	0.1
184.12872	0.1
195.06636	0.1
209.11903	0.1
227.12975	0.2
487.34531	0.2
488.34570	0.4
489.35104	0.6
490.34091	0.9
491.33356	0.1
515.29388	0.1
634.40558	0.1
652.40717	0.1
677.35962	0.2
712.38721	0.2
713.29138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89185	0.1
59.01377	0.7
60.01706	0.1
61.98830	100.0
62.98533	0.2
69.47247	0.2
69.47665	0.4
71.01403	0.2
73.02968	0.1
74.16575	0.1
82.99078	0.0
85.02951	0.1
88.98826	0.1
89.02469	0.1
96.96013	0.1
101.02483	0.1
103.39907	0.1
113.02502	0.1
116.92902	0.2
119.03567	0.1
125.02463	0.1
128.17368	0.0
144.27690	0.1
146.21935	0.0
150.03198	0.1
151.04086	0.1
152.20200	0.0
161.02544	0.1
162.81943	0.0
165.05600	0.1
169.11974	0.0
179.36560	0.1
182.67990	0.1
209.11801	0.1
209.91200	0.1
301.03629	0.1
307.08255	0.1
327.21951	0.1
463.31500	0.1
487.34586	0.2
488.34683	0.6
489.34952	0.8
490.35184	0.7
549.30133	0.1
564.20349	0.1
652.41425	0.1
712.36224	0.1
713.35394	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	710.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34481	0.1
57.03432	0.1
59.01382	2.4
60.01687	0.2
60.99322	0.1
61.01828	0.1
61.98833	100.0
62.98541	0.2
63.99274	0.1
65.47785	0.1
69.76701	0.5
71.01389	0.9
71.01693	0.1
72.01737	0.1
72.99314	0.1
73.02960	0.2
74.14030	0.1
75.00877	0.1
78.95901	0.1
80.96523	0.1
83.01429	0.2
83.05022	0.1
85.02985	0.4
87.00901	0.2
87.97253	0.1
88.98819	0.6
89.02456	0.7
95.01436	0.1
95.72435	0.1
96.96031	0.1
101.02468	0.7
101.99886	0.1
111.00900	0.1
113.02454	0.4
116.92899	0.2
119.03539	0.3
119.05035	0.1
121.02947	0.1
125.02473	0.2
131.03535	0.1
142.96458	0.1
143.03574	0.1
150.03258	0.2
161.04597	0.2
163.06165	0.2
163.11284	0.1
165.05612	0.2
169.01418	0.2
171.10327	0.9
172.10660	0.3
179.05634	0.2
195.06792	0.1
199.13445	0.1
209.11852	1.9
210.12143	0.7
225.11391	0.1
227.12869	0.7
228.13249	0.2
235.08324	0.1
253.09532	0.1
312.22824	0.2
325.11420	0.4
326.11807	0.2
341.27304	0.1
342.27371	0.1
343.28363	0.1
353.23044	0.1
431.31668	0.1
446.21655	0.1
485.33594	0.1
486.33371	0.4
487.33978	0.7
488.34448	1.5
489.36600	0.5
517.34058	0.3
518.34137	1.0
519.34424	0.1
638.32996	0.2
650.38458	0.6
651.40973	0.6
655.34015	0.1
656.34167	0.1
657.33264	0.1
710.30658	0.5
711.31976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01098	0.3
57.03448	1.9
58.00613	0.4
59.01379	5.7
61.98832	23.5
69.03471	0.5
70.58176	0.4
70.58525	1.0
71.01382	5.1
72.99301	0.4
73.02954	1.6
80.02637	0.3
80.86388	0.3
80.96523	2.3
81.03456	0.7
81.55920	0.4
83.01413	0.6
83.05038	1.1
85.02959	1.6
87.00880	1.1
89.02448	2.6
95.05022	1.7
97.02947	0.5
97.06596	6.2
99.00906	0.6
100.73720	0.3
101.02460	5.3
104.45840	0.3
105.06947	0.3
113.02467	2.3
115.04050	0.4
119.03524	0.6
123.08150	0.5
125.02397	0.4
125.09752	0.7
133.10280	0.7
143.03506	0.4
145.05098	0.8
149.09737	0.5
151.11304	17.9
152.11664	0.9
152.99602	2.3
161.04581	1.4
169.12354	50.0
170.12714	2.7
171.10402	0.4
191.16119	0.3
195.10242	2.9
213.11298	7.0
214.11691	0.5
225.00746	0.7
225.11261	0.5
233.22813	0.3
235.08182	1.6
253.09251	2.5
255.23279	1.9
275.20145	0.3
277.21713	56.7
278.22021	6.2
279.23291	0.6
431.19229	2.3
449.20215	2.2
450.20398	0.4
483.27255	0.6
691.38452	1.2
692.38666	0.4
709.41809	100.0
710.42169	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	709.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
57.03459	1.5
58.00580	0.2
59.01379	7.2
61.98831	6.6
69.03458	0.6
71.01376	5.5
71.40468	0.7
72.99303	0.6
73.02946	1.5
80.96524	0.4
81.03468	0.5
83.01402	0.7
83.05029	0.8
85.02954	1.2
87.00883	0.9
88.81496	0.3
89.02453	4.3
95.01418	0.5
95.05034	0.7
97.06598	3.2
97.09386	0.3
99.02746	0.2
101.02452	5.1
113.02448	2.4
118.36246	0.3
119.03484	1.3
125.02470	0.6
133.05080	0.7
149.09731	0.4
151.11298	13.9
152.11624	1.1
152.99591	3.6
161.04559	1.3
169.12352	100.0
170.12697	5.9
179.05644	0.7
195.10191	1.4
196.10619	0.4
201.11311	2.6
209.11852	3.2
211.13350	0.3
213.11317	12.1
214.11624	0.7
227.12915	0.4
235.08264	1.6
237.11336	0.3
253.09219	3.1
253.21840	0.5
255.23228	0.7
275.20337	0.4
277.21707	24.2
278.22073	2.7
279.23300	0.8
287.15179	0.4
381.13437	0.3
405.21475	0.3
431.19260	2.0
449.20233	6.8
450.20856	0.8
455.16931	0.8
473.17792	2.2
474.18372	0.5
691.38397	0.7
691.82587	0.3
709.41760	95.8
710.42084	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36059	0.2
57.03443	0.2
59.01380	21.9
60.01707	0.3
61.98831	3.7
64.40648	0.1
67.66037	0.1
70.09178	0.4
70.09594	0.3
71.01385	1.6
72.65497	0.1
72.99324	0.2
73.02959	0.2
73.29676	0.1
75.00908	0.1
80.96539	0.2
83.05053	0.2
85.02972	0.5
87.00880	0.2
88.98833	0.3
89.02462	1.3
95.01495	0.1
96.97010	0.1
101.02454	1.4
106.57901	0.1
111.00900	0.6
113.02451	0.7
119.03548	1.0
125.02497	0.3
130.87772	0.1
135.50235	0.1
143.03542	0.3
161.04572	0.4
163.06136	0.5
171.10313	0.6
176.79364	0.2
179.05710	0.2
197.15588	0.1
207.10187	0.2
209.11824	2.9
210.12141	0.2
213.18565	0.4
219.84314	0.1
225.11284	0.1
227.12857	1.0
236.34554	0.1
245.63538	0.1
253.09381	0.3
292.36078	0.1
325.11346	1.9
326.12018	0.2
341.27026	1.2
445.20752	0.2
487.34268	100.0
488.34622	16.1
501.35800	0.8
517.33392	0.4
529.35028	0.4
649.39496	1.4
650.39630	0.3
709.31165	1.0
709.41766	3.2
710.31787	0.1
710.42725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15597	0.2
56.99327	0.1
58.00581	0.4
59.01379	14.4
60.01686	0.2
61.98833	12.2
69.66408	1.5
71.01383	2.5
72.99307	0.3
73.02958	0.5
75.00869	0.2
78.95898	0.2
81.03444	0.2
83.01398	0.3
83.05047	0.2
85.02956	0.7
85.06588	0.4
87.00883	0.3
88.98807	0.6
89.02444	1.3
96.96026	0.8
99.00890	0.3
99.04529	0.2
101.02452	1.8
107.01458	0.2
109.06643	0.3
111.00921	0.2
113.02456	1.2
116.92882	0.3
119.03510	0.8
121.03009	0.2
123.00874	0.3
125.02462	1.0
135.04500	0.2
135.92014	0.2
137.02542	0.2
148.88611	0.2
150.03194	0.4
151.03911	0.2
153.01988	0.2
161.04550	0.5
165.04102	0.3
165.05547	0.5
165.95338	0.2
169.01509	0.5
171.10266	0.7
172.05339	0.4
172.10570	0.2
173.05814	0.2
179.05635	0.2
185.11855	0.3
201.11345	0.3
209.11853	1.6
210.12129	0.2
225.11264	0.3
227.12851	0.5
377.28946	0.2
393.31598	0.9
423.32599	0.4
441.33588	0.2
471.34988	0.4
487.34311	100.0
488.34671	20.0
501.36655	0.3
503.30255	0.6
519.31940	1.2
529.35822	1.1
530.35962	0.3
537.32794	0.4
547.31390	0.3
646.35413	0.4
649.39880	1.8
650.40173	0.4
671.35394	0.3
673.35522	0.2
677.34222	0.8
691.35248	0.3
709.37225	2.1
710.37628	0.4
712.16541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75252	0.4
59.01385	0.8
61.98842	1.8
63.96229	1.1
69.03482	0.5
71.01386	6.4
71.35641	0.6
71.35957	0.4
73.02961	1.4
78.95914	0.7
78.98600	5.8
79.95737	9.1
80.96527	67.9
85.02961	2.2
87.00888	2.3
94.98098	16.1
96.96029	1.2
97.02959	1.5
99.00906	0.8
101.02456	2.5
104.45538	0.3
105.41166	0.4
106.98109	3.2
113.02495	0.6
122.97591	3.2
125.02456	2.7
127.03973	0.7
134.97635	5.5
136.99181	1.4
146.97658	0.5
148.99158	6.8
149.46381	0.4
152.98634	6.9
152.99706	0.8
164.98653	11.3
167.00198	0.6
171.10269	2.1
188.98692	0.5
206.99696	2.6
225.00749	17.3
226.01012	0.7
255.23270	1.9
281.96045	0.5
453.14343	3.9
537.27289	1.1
611.23004	0.4
709.38580	100.0
710.38873	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58614	0.1
57.03436	0.1
58.00595	0.2
59.01380	34.7
60.01722	0.4
61.98833	4.8
62.19907	0.1
70.73466	0.1
71.01389	1.3
72.99321	0.2
73.02953	0.2
78.95909	0.1
83.01406	0.1
85.02964	0.5
87.00918	0.1
88.98804	0.2
89.02446	0.9
93.03493	0.1
95.01398	0.2
101.02460	1.6
102.93524	0.1
113.02462	1.2
119.03511	0.9
123.04596	0.1
125.02472	0.4
143.03542	0.1
152.73489	0.1
161.04584	0.6
169.01463	0.3
170.37814	0.1
171.10387	0.1
179.05667	0.3
185.11707	0.1
201.11545	0.1
209.11841	0.4
210.12196	0.1
221.06665	0.3
227.12775	0.1
234.09157	0.1
243.08652	0.1
253.09421	0.1
256.13251	0.1
379.30130	0.3
391.30109	0.2
393.31577	0.1
409.31262	0.6
410.31702	0.2
421.31226	0.1
450.72595	0.1
455.31271	0.2
469.33115	0.3
485.32742	0.1
487.34268	100.0
488.34637	19.7
497.32959	0.2
501.35846	0.2
502.36200	0.1
529.35138	1.0
530.36084	0.1
649.39642	1.8
650.39990	0.3
709.42847	1.1
710.42474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26421	4.7
59.01379	42.1
61.98828	71.7
69.51595	24.4
69.52013	15.4
71.01390	21.4
73.49370	5.8
78.95921	18.4
85.02952	5.0
85.72440	4.7
87.00880	8.5
89.02417	9.3
94.76478	5.3
98.20639	6.1
101.02451	10.6
113.02518	6.4
116.92871	11.4
152.99608	8.5
165.12865	9.5
171.10367	5.7
179.05548	7.3
180.94186	5.3
183.13901	53.6
197.11899	13.7
199.09727	25.5
207.10274	14.0
209.11848	30.6
210.12077	5.8
211.13403	100.0
212.13713	7.6
225.11334	14.0
227.12868	16.9
233.80920	5.4
235.08171	12.2
253.09300	26.8
256.51181	5.1
271.25006	5.5
279.23376	5.5
291.19745	7.5
293.21100	10.5
307.19183	5.5
375.21539	6.0
428.93750	5.3
438.58951	5.3
445.21213	7.1
447.22067	10.7
501.32104	25.2
525.96008	6.2
593.30115	8.2
611.30701	10.6
629.31696	5.9
637.32361	8.6
655.33423	9.1
673.34418	9.8
709.30878	9.4
712.95618	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	709.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
59.01381	13.3
61.98829	27.8
69.03471	1.5
71.01385	16.8
71.24050	1.3
72.99290	0.8
73.01279	0.6
73.01682	0.6
73.02950	3.0
78.95915	3.5
79.95766	1.1
80.02710	0.8
81.03470	1.6
83.01388	1.1
83.05028	2.7
85.02953	3.2
87.00873	2.2
88.98814	1.6
89.02456	5.9
95.01403	0.9
96.96014	2.0
97.02957	4.2
97.06583	0.9
99.00877	1.8
101.02449	8.4
109.06600	16.5
111.00912	0.6
111.04532	0.7
113.02477	3.6
119.03510	2.2
123.08237	0.9
125.02451	1.0
125.09750	1.6
135.08177	2.1
142.02740	1.2
145.05092	1.4
152.99593	1.6
155.10889	1.0
161.04578	3.1
161.09697	1.6
163.11301	7.1
165.12904	1.6
167.14441	0.8
171.10289	2.1
179.05612	1.0
181.12384	2.6
183.13901	16.3
184.14120	1.0
185.11835	1.5
189.09235	1.3
193.12361	2.3
197.11787	0.9
199.09749	2.4
207.10266	44.8
208.10646	3.4
209.11830	9.2
210.12071	1.2
211.13399	100.0
212.13734	8.0
225.11314	26.5
226.11649	2.3
227.12878	2.3
235.08282	6.3
243.12305	1.0
253.09314	10.5
254.09540	0.8
263.12915	1.0
293.21246	2.1
299.14935	1.4
339.23300	1.0
355.22931	0.8
373.23782	2.8
383.22189	3.1
391.24844	3.2
401.23398	5.4
402.23569	1.3
415.32150	1.3
419.24283	3.1
443.19174	3.0
447.22314	3.6
461.20297	9.1
463.21356	1.1
487.34143	3.1
493.28250	1.1
593.29614	1.2
609.32532	1.0
611.30975	1.4
619.31427	1.1
629.31702	2.1
637.32581	9.4
638.32635	2.2
649.39496	1.1
655.33386	16.7
656.34119	8.3
659.34570	1.3
673.34729	1.4
691.34857	0.7
709.31049	1.4
709.41766	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	709.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62318	0.6
55.01869	0.6
57.03440	1.7
59.01379	33.3
61.98832	36.6
66.49703	0.6
70.45634	1.9
71.01389	11.6
72.99311	1.9
73.02944	3.0
78.95895	0.8
79.95776	0.8
80.96526	1.7
82.96115	1.2
83.01398	1.5
83.05035	1.7
83.31665	0.6
85.02969	4.5
87.00895	1.5
88.98805	2.8
89.02453	5.7
95.01406	1.1
95.04962	0.9
96.96004	1.4
99.00887	1.0
101.02457	6.9
111.00883	5.3
113.01343	0.8
113.02451	3.7
116.92864	2.0
119.03501	2.7
125.02457	1.8
131.03578	0.7
143.03529	1.1
150.03264	0.8
161.04518	2.1
163.06126	0.8
163.11304	1.2
164.98582	0.8
165.05585	1.1
169.01398	1.3
171.10266	9.5
172.10637	0.9
174.44196	0.7
179.05594	1.4
183.13812	0.8
191.01869	1.0
209.11836	62.4
210.12221	3.9
211.13312	1.5
213.14948	2.7
225.00737	0.8
227.12872	14.3
228.13193	1.5
235.08232	1.6
238.06502	0.8
253.09190	3.7
310.49878	0.7
325.11417	11.3
341.26932	2.7
355.28574	1.0
360.19974	0.8
445.20721	4.9
446.21399	0.8
463.21445	0.8
487.34299	100.0
488.34625	19.4
517.33826	23.9
518.34100	3.5
523.70679	0.7
637.32782	2.1
649.38324	13.0
650.38586	3.2
655.33698	1.9
709.31421	19.2
710.31628	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	708.216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.6
59.01381	7.6
61.98830	29.6
65.00338	0.6
67.01885	1.2
69.03454	1.3
71.01382	4.4
71.76396	0.8
72.99289	0.6
73.02946	0.9
75.00875	0.5
79.01904	1.2
81.03471	0.7
83.01383	1.3
83.05002	0.6
83.97005	0.5
85.02949	1.6
87.00866	1.3
88.98807	1.1
89.02464	2.5
95.01397	2.0
96.96017	2.2
97.02946	1.2
97.12934	0.5
99.00871	0.7
101.02445	2.6
107.01408	7.6
109.02956	1.9
110.00052	0.6
111.00906	5.4
112.76646	0.5
113.02469	1.5
116.92858	0.7
119.03537	0.8
120.99654	2.3
121.02969	1.4
123.00903	8.0
123.04523	1.2
124.01705	3.8
125.02467	31.1
126.02792	3.4
127.00368	1.6
136.98866	2.4
137.02469	0.9
139.00378	4.5
139.04012	5.4
140.01189	6.6
141.01930	0.9
149.02562	0.8
150.03224	1.0
151.00409	2.6
151.03931	0.9
153.02032	2.8
154.02701	0.6
154.99873	0.7
158.40169	0.5
161.04561	0.7
165.01869	0.6
165.05614	1.0
166.99863	1.9
168.00648	10.6
169.01443	39.7
170.01778	5.2
171.10283	1.4
177.01953	0.7
179.03511	0.7
181.01408	1.3
181.05031	0.6
183.02997	15.0
184.03320	0.7
193.01410	0.5
195.06593	0.6
197.04556	0.8
199.09689	0.5
201.11354	3.7
209.11824	5.8
223.05969	0.7
225.11243	1.4
227.12862	1.1
243.12247	1.0
253.09253	0.8
267.20468	0.5
271.60123	0.5
275.01910	3.9
276.02341	2.9
279.24075	0.6
297.11368	0.7
327.12393	0.7
329.13876	0.9
345.09616	1.0
359.11319	3.4
361.16394	0.6
371.09842	1.9
414.22321	0.6
441.33926	0.5
459.34726	0.7
460.34955	1.0
473.32867	1.4
474.33069	0.9
479.19138	0.7
480.14050	0.5
481.14304	0.8
485.32690	1.8
486.33240	1.1
487.30591	0.8
498.14542	0.6
499.15970	1.5
503.30145	0.9
505.35590	0.6
505.75659	0.6
589.30115	0.7
630.19574	1.2
645.21979	100.0
646.22253	20.9
672.33667	1.0
673.21600	2.4
673.34717	3.3
708.23523	3.8
708.34821	0.9
709.24109	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	707.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.2
61.98817	3.0
69.03470	0.8
69.64154	1.5
69.64577	3.1
71.01380	2.7
73.02969	0.7
78.95915	3.9
85.02969	0.9
89.02441	2.8
98.19883	1.3
99.74150	0.5
101.02449	1.8
105.98569	0.6
108.24125	0.5
113.02444	0.9
116.44975	0.6
119.03490	0.6
119.82646	0.6
125.28149	0.5
152.99580	5.5
161.04578	1.3
171.00711	0.7
183.13898	6.7
184.14253	0.6
193.12350	1.8
195.86852	0.6
197.11867	1.1
207.10217	1.0
211.13397	100.0
212.13731	7.8
225.11386	1.5
235.08195	2.2
243.53914	0.6
253.09258	7.0
255.23274	1.5
277.21713	67.8
278.22125	8.8
279.22952	0.8
367.01294	0.6
374.42279	0.6
429.21078	0.8
447.22177	3.2
448.23047	0.8
453.15213	2.0
647.24164	0.6
689.37183	1.0
707.37177	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	707.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.4
58.00592	0.3
59.01379	47.2
60.01715	0.7
60.99318	0.5
61.98833	16.0
68.99846	0.3
71.01374	3.2
71.01689	0.2
71.05048	0.5
72.99296	0.3
73.02962	0.8
75.00886	0.3
78.95926	0.4
79.95737	0.3
80.96510	1.2
83.01411	0.5
83.05046	0.3
85.02959	1.6
87.00886	1.1
88.98821	2.2
89.02459	2.0
94.98100	0.3
95.01369	0.2
97.02983	0.3
99.00907	0.5
101.02457	2.8
109.06615	0.5
111.00897	7.5
112.01234	0.3
113.02448	1.9
116.92872	0.5
119.03516	1.2
123.00867	0.2
125.02448	0.5
138.53716	0.2
143.03516	0.2
154.99966	0.2
161.04570	0.7
163.06158	0.6
163.11272	0.4
164.98615	0.3
165.12900	0.5
171.10278	2.4
173.00897	1.4
179.05609	0.3
181.12363	0.4
183.13930	2.7
184.14279	0.3
185.11771	0.4
191.02010	0.8
197.11749	0.3
199.09816	0.4
201.11313	1.1
207.10249	1.6
209.11847	5.8
210.12094	1.1
211.13498	1.1
221.06642	0.4
225.00703	0.6
225.11317	2.9
226.11758	0.3
227.12878	1.8
235.08295	0.3
253.09323	0.8
285.04056	0.4
295.26483	0.3
300.99997	0.3
325.11398	1.8
326.11798	0.3
339.25494	1.7
340.25549	0.2
391.29950	1.2
437.30460	1.0
443.19183	0.2
445.20285	0.3
455.31723	0.4
461.20276	0.9
479.31772	1.2
485.32709	100.0
486.33066	18.8
486.40433	0.5
499.34161	0.4
515.32281	2.4
516.32458	0.3
617.31720	0.6
635.30573	0.3
645.31360	0.4
647.37915	2.8
648.37695	0.7
653.31256	1.1
654.31384	0.3
671.32703	2.1
672.32953	0.4
689.34216	0.7
707.29602	4.2
707.40527	1.1
708.30249	1.1
708.41992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23574	0.6
56.72224	0.6
57.03438	1.2
59.01379	17.7
60.99317	0.7
61.98833	100.0
67.04908	0.5
68.09076	0.6
71.01392	8.0
71.73988	0.8
73.02940	1.9
75.00894	0.9
78.95910	8.0
80.96526	2.8
81.03470	1.4
83.01427	1.1
83.05030	3.1
85.02976	2.4
87.00891	1.7
88.98812	3.3
89.02437	4.0
91.69241	0.6
95.01405	1.1
95.05065	0.6
96.96018	0.9
97.02972	1.5
97.06585	0.8
99.00882	0.8
99.90417	0.5
101.02448	4.7
109.06600	6.9
111.00896	1.2
113.02461	2.7
116.92892	1.4
119.03499	1.0
125.02448	1.7
125.09703	1.2
137.73026	0.6
141.01964	0.8
147.42035	0.6
149.06082	0.7
152.99586	2.7
161.04565	2.2
163.11327	5.1
164.11627	1.0
165.12819	1.1
169.01447	1.3
169.12427	0.6
171.10258	2.2
179.05681	0.7
181.12320	1.0
183.10315	0.6
183.13885	0.8
185.11763	1.3
197.11713	1.5
199.13419	0.8
200.13715	0.6
201.11298	0.8
207.08295	1.2
207.10286	23.9
208.10570	2.0
209.11847	60.7
210.12210	3.6
211.13330	2.6
221.11926	0.7
225.00708	0.9
225.11327	14.9
226.11627	1.4
227.12914	15.5
228.13075	1.5
229.14349	1.1
235.08253	3.8
253.06778	0.9
253.09285	7.4
271.48175	0.6
300.99878	0.6
325.11365	1.6
327.21603	1.0
339.25397	0.9
353.23053	0.9
393.31342	0.8
399.21640	3.3
417.22821	3.9
443.18890	2.1
445.20770	2.9
461.20071	5.5
463.21457	0.8
473.32047	0.6
485.32834	38.0
486.33124	7.1
515.32141	1.4
527.33600	0.8
609.29694	0.8
635.30890	14.3
636.30896	3.0
647.36499	2.4
653.21667	1.1
653.31793	15.2
654.32251	4.2
671.32776	21.0
672.33185	5.9
689.33661	1.7
707.30127	24.8
708.30627	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	707.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.8
59.01386	10.0
61.98831	22.7
68.99827	0.8
69.72786	1.9
69.73189	5.6
71.01374	5.0
72.99338	1.0
74.99122	2.5
80.05057	7.3
82.02996	1.6
83.01397	2.1
83.05034	1.0
85.02970	1.5
87.00874	1.9
88.98824	1.8
89.02468	3.6
93.03452	0.9
94.02993	16.2
94.06642	2.6
95.01397	0.9
96.96046	2.4
99.00905	1.5
101.02459	3.3
104.05096	3.1
106.06635	2.4
107.01450	1.4
107.03777	4.0
108.04586	2.7
109.02979	0.9
111.00896	1.6
113.02468	1.9
116.92867	1.5
120.04565	2.1
120.08221	1.9
120.99663	1.7
122.02505	1.2
122.06142	28.2
122.07034	1.6
122.91817	1.0
123.00884	3.4
124.04060	2.1
124.07686	1.2
125.02467	9.0
126.02807	0.9
132.04655	1.2
134.06145	8.1
135.04564	1.3
136.01724	0.9
136.04083	2.8
136.07715	1.0
137.02477	1.5
138.05663	7.6
139.02809	1.4
146.06137	1.3
147.03223	0.9
148.04021	2.3
150.03206	1.4
150.05606	6.4
151.00375	1.7
151.04008	1.3
152.07195	59.3
153.07562	1.7
158.02518	1.1
160.04050	2.3
161.04604	1.3
163.04039	0.8
164.07210	1.0
165.05577	1.2
168.00682	2.1
169.01447	12.1
171.10213	1.6
172.11351	1.4
174.05634	2.7
175.05197	1.4
179.05690	0.8
180.06732	1.0
186.05630	1.4
187.08749	0.9
188.07173	3.0
190.05110	1.7
191.03593	0.8
191.05550	0.9
201.10199	6.6
208.32602	0.9
209.11902	4.0
211.08704	1.4
213.10286	4.1
215.11905	1.4
223.08759	1.1
224.09503	1.3
225.10266	4.1
226.11160	0.8
227.12012	3.5
229.09805	7.8
229.13744	2.8
235.08696	1.4
237.10362	3.1
239.11932	7.3
241.09755	1.0
243.11485	1.0
245.12929	9.8
247.10930	1.8
249.10338	2.5
250.07396	2.0
251.08218	1.7
251.11836	1.7
252.08958	1.0
253.09706	4.4
255.11415	3.2
257.13004	2.3
259.10904	1.6
263.11740	1.0
264.09128	1.0
265.09760	6.8
266.10449	1.4
267.11398	5.4
273.12402	3.5
277.09753	2.2
278.06949	3.5
278.10522	2.7
279.07742	5.7
279.11383	3.9
280.52985	0.8
281.09427	1.1
281.12909	1.2
283.10852	0.9
289.11920	2.8
291.07986	1.6
293.09299	16.0
294.10025	3.9
295.10831	8.5
296.11520	1.2
297.12366	1.3
301.11935	12.6
305.09528	1.2
306.09976	0.9
307.10883	3.7
309.12433	3.9
313.05780	2.0
313.11948	5.5
316.11005	1.1
317.11563	1.3
319.12991	34.2
320.13333	3.4
323.10358	4.8
325.11978	2.1
327.13495	3.6
330.12610	1.0
332.14066	1.2
337.08255	8.9
338.09000	1.4
339.09885	2.8
344.14011	1.2
351.09976	1.4
355.13092	3.1
359.12750	0.9
360.13535	1.2
362.15402	1.0
372.13229	1.2
372.17340	1.8
374.15070	8.5
375.15314	1.8
386.15332	2.0
391.15405	1.5
392.16061	4.7
400.12701	1.4
416.16101	5.2
417.16794	3.1
428.16254	1.4
430.13843	1.4
431.18732	1.6
431.86597	0.9
432.19550	1.1
433.16406	0.9
434.17331	2.9
444.15707	1.2
446.16733	1.0
458.17322	1.9
459.17819	3.8
460.18777	3.3
463.17310	1.4
474.20624	1.3
476.18054	1.7
486.16748	1.1
492.21597	2.1
503.17163	3.0
504.17554	9.9
518.19312	8.7
519.19421	1.5
531.25934	1.6
535.20416	1.0
539.22784	4.4
540.23584	1.2
545.25708	1.2
550.21869	15.3
551.22253	2.3
557.24005	6.0
571.25391	2.4
581.24127	4.6
582.24561	1.5
583.22327	5.2
584.22839	1.4
599.25122	34.7
600.25659	5.8
613.26331	2.1
615.24530	6.3
616.25073	1.6
625.23010	3.3
626.22925	1.0
631.27856	6.0
632.28632	1.3
643.24219	37.7
644.23730	7.8
647.27533	2.1
657.26056	9.8
658.26062	2.1
671.20068	7.7
671.31934	1.2
672.19843	1.8
675.26910	100.0
676.27136	23.9
689.28650	2.9
707.29541	22.7
708.30841	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	707.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68814	1.6
55.01895	2.7
57.03444	4.6
58.00617	3.9
59.01382	62.3
61.98817	8.9
69.03473	2.8
71.01388	80.2
71.75528	2.7
72.99307	3.9
73.02956	26.7
83.01395	6.6
85.02959	34.6
87.00889	12.5
88.98820	3.6
89.02453	49.6
90.35406	1.6
95.01402	8.3
96.96034	1.5
97.02968	5.0
99.00889	5.6
99.04540	2.2
101.02464	63.0
102.02809	1.6
107.01419	3.1
108.02219	4.3
109.02976	2.8
111.00901	1.7
113.02470	36.4
115.00391	4.7
119.03523	21.5
121.02959	2.8
122.03738	2.4
123.00922	4.9
123.04570	3.1
125.02475	21.4
127.04031	3.0
129.01962	2.5
130.46352	1.6
131.03574	8.6
133.01530	1.7
134.03763	26.0
135.04552	10.0
135.99883	1.5
137.02483	4.9
139.00441	2.0
139.81015	1.6
140.01225	2.2
143.03514	7.1
145.05101	38.4
146.03769	30.5
147.04573	11.4
149.04794	2.6
149.06111	18.9
150.03239	7.0
151.00438	2.5
159.03036	4.9
161.04581	48.3
161.06093	11.9
162.03294	3.4
162.04884	2.6
163.16002	1.8
164.04829	23.0
165.05569	6.0
167.07164	23.0
169.01437	20.6
175.02701	2.0
177.01903	3.0
177.05566	1.9
179.05632	59.4
179.07164	22.4
181.05069	2.3
185.55544	1.6
195.06668	2.8
200.32597	1.5
211.02467	3.0
221.06625	15.3
247.08189	16.4
265.09207	4.0
269.14154	1.8
271.04520	3.1
275.01959	2.2
289.07242	3.4
295.11819	3.6
300.99796	4.0
313.12955	57.4
314.13147	3.8
323.09888	2.2
325.11316	4.2
339.14481	3.7
341.10931	19.9
367.14178	3.3
383.12079	3.6
473.16888	8.6
474.17386	8.9
475.18036	17.8
476.18713	2.1
529.19141	33.1
530.19556	5.6
565.26447	2.1
591.23328	9.3
623.23663	11.0
635.23468	11.1
653.24658	71.8
654.24982	12.6
671.25635	100.0
672.25836	23.1
707.22363	12.1
707.34991	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	705.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.2
59.01383	1.7
61.98833	1.6
69.03455	0.1
69.09083	0.2
70.34818	0.1
71.01392	1.4
71.73652	0.3
73.02954	0.3
80.02697	1.1
81.03474	0.9
83.01399	0.4
83.05035	4.6
84.02181	0.6
84.05368	0.2
85.02972	0.5
87.00886	0.3
88.35035	0.2
88.98803	0.2
89.02460	1.3
95.05048	0.5
97.06596	0.2
99.00866	0.2
101.02470	1.6
109.06602	0.2
113.02454	1.0
116.38860	0.2
125.06094	0.3
127.61822	0.2
135.08179	0.9
161.04582	0.7
163.11302	3.3
163.12662	0.2
165.12871	2.3
171.10318	0.9
181.12392	0.6
191.10799	0.7
209.11845	100.0
210.12170	8.0
227.12904	13.5
228.13243	1.1
235.08223	2.0
247.13353	0.4
253.09285	5.4
254.09564	0.5
265.14502	0.2
351.82370	0.2
401.23471	0.2
419.24496	0.2
445.20935	1.6
446.21063	0.2
463.22318	0.2
517.23920	0.2
520.74750	0.2
627.38312	0.2
637.32422	0.4
655.33551	0.3
687.32550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03450	0.7
59.01376	7.2
61.98830	86.1
64.20910	0.3
71.01382	6.7
72.99330	0.5
73.02956	1.8
80.02695	1.5
80.96542	0.3
81.03458	1.7
83.01418	1.2
83.05035	6.2
84.02183	1.5
85.02966	1.7
87.00896	1.7
89.02453	4.8
91.61327	0.3
95.01390	0.4
95.05038	1.1
97.02940	0.8
97.06598	0.9
99.00846	0.6
101.02445	5.7
109.06650	0.4
111.08199	1.4
113.02464	3.1
119.03497	0.9
125.02466	0.4
125.09761	0.4
133.05101	0.7
135.08157	0.6
143.03505	0.6
145.05090	0.8
147.11839	0.6
161.04599	2.0
163.11299	4.9
164.11617	0.4
165.12863	11.1
166.13173	0.5
169.12360	0.8
170.06422	0.3
171.10266	0.4
179.05704	0.9
181.12346	0.7
183.13907	100.0
184.14255	6.7
191.10735	1.0
197.11809	1.1
198.12233	0.6
209.11833	79.1
210.12178	6.3
225.11308	0.8
227.12883	12.2
228.13132	0.9
235.08238	2.6
253.09261	5.8
300.02713	0.4
393.26559	0.5
419.22775	0.5
445.20712	1.5
463.21927	3.0
464.22708	0.4
509.81491	0.3
533.66351	0.4
572.75800	0.4
615.33826	0.6
655.32910	1.7
656.33618	0.6
673.34601	95.2
674.34949	22.9
705.37231	8.2
706.37372	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	705.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
56.39244	0.5
57.00776	0.6
57.03453	2.3
58.00604	0.6
59.01383	14.4
60.99339	0.6
61.98832	30.9
63.85800	0.6
67.01895	0.7
67.12959	0.7
67.50368	0.6
69.03469	6.2
69.75716	4.0
71.01390	10.4
71.05041	2.0
72.99332	1.3
73.02937	2.9
75.00862	0.8
76.67309	0.6
81.03457	1.3
83.01404	1.9
83.05035	4.6
84.02215	0.7
85.02973	3.7
87.00880	4.7
88.98837	2.5
89.02464	7.1
93.03484	1.7
95.01455	1.0
95.05041	1.4
96.96047	2.0
97.02980	1.4
97.06619	2.0
99.00930	1.0
100.76833	0.6
101.02449	8.3
107.01438	0.7
107.05061	0.8
109.02939	0.8
109.06634	0.8
111.00898	2.9
111.04527	0.7
113.02470	4.3
113.09647	0.6
116.92912	1.0
119.03528	1.7
119.05024	0.6
120.55919	0.6
121.02912	0.7
123.00902	2.4
123.04592	0.6
123.08195	2.0
125.02481	2.8
125.06126	0.6
125.09736	6.1
127.11296	4.6
135.08165	0.8
137.02466	2.2
137.09753	2.0
139.11314	0.7
149.09717	0.8
150.03278	0.9
151.00363	1.1
151.03969	0.7
151.11301	4.2
153.12895	2.0
155.10750	1.6
156.00568	0.6
157.12399	0.6
159.93050	0.6
161.04538	3.0
161.09721	6.7
163.11313	2.7
164.03175	0.6
165.05629	0.9
165.09273	1.4
165.12891	1.4
166.99832	0.8
169.01474	3.7
171.10347	3.1
179.03462	0.7
179.05611	1.4
179.10776	11.0
183.10291	1.4
195.06786	0.7
197.11845	100.0
198.12186	6.5
199.09766	1.6
199.13408	1.3
201.11333	44.0
202.11664	3.2
207.10175	1.2
209.11847	52.0
210.12059	3.4
215.12854	0.6
223.09805	1.9
225.11349	2.2
227.12952	4.9
235.08253	1.1
241.10788	6.0
253.09229	6.6
300.99985	0.9
327.12122	1.1
477.19635	2.7
478.12512	0.8
483.30878	0.7
493.14850	3.6
618.70734	0.8
643.20300	3.9
643.31000	0.9
645.34943	0.8
661.30890	24.9
662.30969	4.3
669.31152	1.5
675.27832	0.8
687.32562	72.0
688.32904	16.1
705.33478	71.8
706.21973	1.1
706.33850	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	705.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.0
61.98832	100.0
62.98541	0.9
69.03461	0.5
71.01391	9.4
73.02945	0.6
75.00877	0.5
78.95912	6.3
79.95766	1.3
80.96518	5.8
83.01396	0.6
83.05064	1.3
85.02976	0.8
87.00895	1.0
88.98819	1.2
89.02464	1.6
90.13573	0.4
94.98096	1.1
96.96981	0.6
97.02979	0.9
98.19846	1.4
99.00949	0.6
101.02469	2.0
107.99096	0.5
109.06628	1.6
113.02460	1.2
115.10375	0.5
116.92856	0.6
119.03533	0.8
125.09769	1.0
127.03986	0.5
133.87828	0.5
152.99683	2.4
161.04640	0.7
163.11308	1.3
164.98730	0.7
171.10310	1.9
181.12328	1.0
183.13971	1.1
185.11781	0.6
195.13945	0.9
197.11832	3.7
199.13446	0.8
201.11316	0.8
205.12453	0.7
207.10278	3.2
209.11839	16.9
210.12228	1.7
211.13402	7.9
223.13396	14.6
224.13812	1.3
225.00815	1.1
225.11311	4.1
227.12901	5.5
228.13316	0.9
235.08327	1.7
253.09167	3.2
277.21841	1.0
311.22073	0.6
325.11520	1.7
443.13583	0.5
445.20444	0.8
459.22415	4.6
460.22977	0.8
461.20358	0.7
504.36603	0.5
633.33026	0.6
637.33075	0.5
645.38501	1.2
651.34479	1.3
655.33856	0.8
673.34888	1.5
705.32318	14.3
706.32483	3.2
721.59375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62763	0.1
55.36194	0.1
55.63478	0.1
59.01384	0.2
61.98831	100.0
62.98531	0.2
69.41058	0.6
71.01393	0.4
77.38937	0.1
78.95911	1.8
83.05030	0.1
89.69447	0.1
96.96978	0.2
102.17496	0.1
106.78255	0.1
108.22318	0.1
109.06630	0.1
125.09764	0.1
152.99600	0.7
163.11319	0.1
168.84485	0.1
169.12413	0.1
171.10338	0.3
197.11871	0.1
201.11324	0.1
202.35751	0.1
203.49152	0.1
207.10320	0.2
209.11859	1.0
211.13451	0.8
212.13754	0.7
213.14035	0.3
225.11369	0.2
227.13095	0.1
253.09366	0.1
277.21844	0.2
286.97003	0.1
328.78018	0.1
363.12192	0.1
379.11722	0.1
381.13492	0.1
420.45520	0.1
449.23282	0.1
473.78296	0.1
589.24170	0.1
647.67450	0.1
672.33044	0.1
704.41248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01382	2.9
61.00863	0.4
61.98828	20.6
63.96233	1.7
69.03458	1.1
71.01383	13.4
71.05010	0.7
71.66560	0.7
72.99312	0.7
73.02943	2.3
75.00861	0.6
78.95908	21.8
78.98588	6.7
79.95738	13.6
80.02694	0.4
80.96519	80.8
81.03457	1.6
83.01356	0.9
83.05022	1.4
85.02945	4.0
87.00882	3.3
88.98759	0.5
89.02454	0.6
94.97476	0.9
94.98091	17.0
95.01389	1.0
96.96005	1.7
96.96947	2.4
97.02955	2.5
99.00893	1.0
99.04582	0.5
101.02438	3.7
106.98094	4.0
109.06598	1.2
111.08164	0.7
113.02450	0.8
116.36518	0.4
116.92745	0.5
122.97601	3.8
125.02446	4.0
125.09718	1.1
127.04026	1.1
127.11257	0.7
134.97607	4.8
136.99139	1.7
145.79152	0.4
148.99152	6.5
152.98593	5.1
152.99597	9.3
154.51001	0.5
163.11311	0.8
164.98628	13.3
169.12354	1.0
171.10277	2.6
172.10472	0.6
181.12263	0.6
183.13942	1.1
185.11868	0.5
197.11823	4.3
199.13332	0.7
201.11194	0.8
206.99747	2.7
207.10278	2.6
209.09825	0.8
209.11821	11.8
210.12135	0.9
211.13379	6.3
212.13661	0.6
215.12843	1.1
223.13200	0.6
225.00726	23.0
225.11299	2.1
226.01088	0.7
227.12894	1.7
253.09183	1.1
277.21780	1.0
278.58395	0.4
283.04904	0.6
309.20721	0.8
355.31250	0.5
359.05200	0.5
361.10706	0.6
363.12088	1.3
395.14594	1.6
445.13998	0.7
445.19736	3.3
463.21094	0.9
483.31119	0.8
493.17471	4.8
494.17371	0.7
592.06824	0.5
669.32275	0.5
673.33875	8.4
674.34174	1.6
705.31671	100.0
706.31970	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	704.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96374	0.1
59.01378	2.0
60.01708	0.1
61.98830	100.0
62.98533	0.2
63.17353	0.1
71.01408	0.1
78.95919	0.3
129.90181	0.1
134.98286	0.1
152.99599	0.1
209.11879	0.3
277.21735	0.5
279.23395	0.2
311.79172	0.1
332.18860	0.1
418.35306	0.1
483.15549	0.2
484.15479	0.5
498.16995	0.2
542.16217	0.1
543.16614	0.1
556.18939	0.1
557.19043	0.2
558.19153	0.8
559.19293	0.1
575.15790	0.2
589.17737	0.1
641.22662	0.1
644.22852	0.4
704.24011	2.4
704.41003	0.1
705.23071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73571	0.1
59.01366	0.2
61.98832	100.0
62.98538	0.2
64.28074	0.1
70.69576	0.1
70.86697	0.3
71.01400	0.8
78.95908	0.9
79.71353	0.1
80.96524	0.2
83.05080	0.1
89.02454	0.1
106.18958	0.1
109.06565	0.2
125.09735	0.2
152.99612	0.5
156.74200	0.1
161.45888	0.1
171.10355	0.4
201.11458	0.1
207.10275	0.4
209.11902	0.9
210.12178	0.1
211.13403	0.2
212.13757	0.2
225.11388	0.4
253.09639	0.1
277.21585	0.1
483.31195	0.4
705.35657	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	703.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90478	0.3
55.01880	0.5
57.03432	1.3
58.00585	0.4
59.01083	0.7
59.01381	12.8
60.73613	0.4
60.99319	0.5
61.98831	33.1
69.03464	0.6
71.01383	7.4
71.40034	1.1
72.99313	1.0
73.01821	0.4
73.02956	2.2
75.00882	1.4
78.95911	0.8
79.91644	0.4
80.02679	1.7
80.96507	0.7
81.03467	2.8
83.01399	2.1
83.05035	8.3
84.02178	1.5
85.02505	0.5
85.02940	2.8
85.06680	0.5
87.00888	2.0
88.00497	0.4
88.98814	3.0
89.02456	5.2
93.03455	0.8
95.01392	0.9
95.05035	1.3
96.96024	0.9
97.02959	5.3
97.06599	0.8
99.00887	1.9
99.04539	0.6
100.54829	0.4
101.02452	6.0
106.04248	0.7
107.05045	0.7
109.02943	0.5
109.06606	22.7
110.06953	0.8
110.74452	0.4
111.00904	0.7
111.04514	0.8
113.02496	4.2
115.00324	0.4
116.92847	1.0
119.03537	1.1
119.04974	0.5
121.03001	0.5
121.06608	1.4
123.08180	1.0
125.02454	2.1
125.06120	0.8
125.09750	2.4
127.11356	0.4
129.01935	1.0
135.02968	0.7
135.08192	3.9
136.05313	1.1
137.09731	0.9
142.02727	1.7
145.05063	0.5
153.12802	0.5
155.10770	2.7
161.04619	2.6
161.09735	1.1
163.11299	18.1
164.11644	0.9
165.12900	2.7
167.03522	0.4
169.01457	0.8
169.12367	1.8
171.10274	1.3
179.05611	0.9
179.10757	0.7
181.12367	3.5
182.12709	0.5
183.13918	1.7
185.11914	2.2
189.09232	1.5
191.10834	1.2
197.11850	8.7
199.13464	0.5
201.11302	0.8
207.10284	57.5
208.10600	4.4
209.11850	100.0
210.12177	7.7
211.13403	3.6
221.11806	0.6
223.13347	0.6
225.00899	0.5
225.11337	31.5
226.11728	2.1
227.10652	0.9
227.12901	18.2
228.13193	1.1
231.10324	0.7
235.08240	4.2
243.12488	0.6
247.13385	0.7
249.11362	1.3
250.11407	0.5
253.09261	11.2
254.09612	0.7
265.14505	1.2
292.81528	0.4
299.15021	1.0
303.45255	0.4
373.23730	1.0
381.42496	0.5
389.23291	0.7
399.21722	5.1
400.22095	0.6
417.22916	3.8
418.23279	0.7
435.23947	0.6
443.19150	2.9
445.20886	1.0
461.20319	8.0
462.20642	0.7
463.21619	0.6
491.26370	0.5
609.29327	0.5
625.32727	0.6
635.30865	12.4
636.31226	3.3
641.35449	1.1
643.36920	0.9
653.31793	13.2
654.32263	3.0
671.32990	23.3
672.33258	6.3
703.33417	1.8
703.43121	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	701.4499
Annotation	Kulomo'opunalide-2
Peak:m/z	Relative Intensity
53.10196	0.8
59.01378	4.6
61.98828	6.1
71.01379	3.9
73.02945	1.4
78.95886	1.0
82.62226	0.8
85.02940	1.3
86.64911	0.8
87.00849	1.0
89.02441	2.7
98.20640	1.8
101.02446	3.1
113.02457	2.6
161.04576	1.4
165.12885	6.1
183.13916	50.5
184.14249	3.0
209.11818	2.3
227.12915	2.3
229.43492	0.9
235.08174	2.4
253.09200	3.7
255.23288	100.0
256.23636	9.6
295.22809	2.0
376.03101	0.8
696.11450	0.9
701.45001	70.1
702.45386	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	701.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
58.00608	0.2
59.01376	2.4
61.98820	0.7
65.82041	0.1
70.88979	0.2
71.01382	2.3
72.63670	0.1
73.02958	0.8
80.02688	0.5
81.03461	0.6
83.01398	0.4
83.05038	2.4
84.02171	0.4
85.02950	0.9
87.00891	0.9
89.02449	1.3
91.57747	0.2
95.01404	0.3
95.05025	0.4
97.02972	0.2
101.02460	2.8
103.04026	0.2
111.04496	0.2
111.63896	0.2
113.02457	1.3
115.09701	0.2
119.03539	0.4
122.64727	0.2
125.06071	0.3
133.05130	0.2
135.08174	0.3
143.03540	0.4
145.05101	0.8
161.04575	1.1
163.11327	1.8
165.12903	1.4
179.05589	0.3
191.10748	0.4
202.82976	0.2
209.11838	60.6
210.12166	3.8
227.12888	7.2
228.13167	0.4
235.08226	7.3
235.10616	0.3
236.08516	0.3
253.09285	6.7
255.23285	100.0
256.23633	8.3
317.43054	0.2
350.22107	0.2
373.67590	0.2
414.58197	0.2
445.20758	0.5
470.16318	0.2
491.32245	1.1
492.32355	0.2
528.29742	0.2
701.41199	0.3
728.92627	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
58.00593	0.6
59.01379	2.5
61.98836	6.1
69.03423	0.4
71.01383	1.8
71.05031	0.6
71.76147	0.4
72.99323	0.3
73.02946	1.1
75.00893	0.6
81.03462	0.5
83.01376	0.3
83.05027	1.1
85.02975	0.7
87.00876	1.7
87.04539	0.7
89.02451	1.3
91.05546	0.3
93.03453	0.5
95.01380	0.5
95.05058	0.9
97.03022	0.3
97.06600	4.5
99.04510	1.5
101.02451	0.9
107.01414	0.5
107.05050	0.6
109.02953	0.5
109.06607	7.7
111.00814	0.3
111.04560	1.7
111.08176	1.7
113.02491	0.5
113.09779	0.4
116.92918	0.5
119.03506	0.5
119.05029	0.4
121.02988	0.3
121.06652	0.3
121.53593	0.3
123.00909	0.6
123.04505	0.8
123.08178	13.4
123.09085	0.7
124.01682	0.6
124.08487	0.8
125.02470	2.6
125.06105	0.6
125.09716	1.0
127.07668	0.5
131.87077	0.3
133.01450	0.3
134.03778	0.3
135.04520	0.3
135.08183	7.4
136.05318	0.3
136.08528	0.4
137.02478	0.4
137.06133	0.4
138.06874	4.4
139.04062	0.4
139.07663	0.3
141.09229	4.5
142.09543	0.3
144.22159	0.3
148.05345	0.4
149.06097	1.2
150.03300	0.5
150.06885	23.0
151.00403	0.3
151.07364	1.4
153.09235	18.9
154.09491	0.5
155.10825	0.5
157.08627	0.3
161.02409	0.6
162.06897	0.9
163.07668	5.0
164.08449	4.7
165.01888	0.5
165.05577	0.7
165.09087	0.4
167.03513	0.3
167.48259	0.3
168.00639	0.4
169.01465	2.0
171.10330	0.6
173.08182	0.4
176.08485	0.4
177.09232	1.5
178.06206	0.3
178.10010	1.1
179.10782	12.2
180.11194	0.7
181.08685	0.4
183.03050	0.8
187.09775	30.1
188.10123	1.6
195.06743	0.3
199.09860	0.5
211.02399	0.3
211.13385	1.6
217.10814	34.7
218.11154	2.4
221.11858	0.7
306.18417	0.7
313.05591	0.3
320.20013	1.2
321.20639	2.1
336.19296	1.6
341.19785	1.5
350.20969	2.2
351.21732	7.5
352.22086	0.9
397.13403	0.9
415.14917	0.3
439.28561	1.4
457.29239	0.5
475.30371	0.9
503.29846	0.9
520.30310	0.9
521.31128	10.9
522.31586	1.6
539.15735	0.5
539.32275	1.8
621.78247	0.3
671.27283	0.8
683.36609	4.6
684.36896	1.2
688.44666	0.4
701.37750	100.0
702.20404	0.7
702.38129	22.3
724.32013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.7
59.01368	1.2
61.98819	1.3
69.03441	0.5
71.01373	1.1
71.03294	1.0
71.05003	0.5
71.39427	0.3
74.95770	0.3
75.00877	0.5
76.45414	0.3
83.05028	1.0
85.02944	0.5
87.00866	2.2
87.04500	0.5
89.02455	7.2
91.05539	0.4
93.03459	0.6
95.05051	0.5
97.06597	4.1
99.00871	0.4
99.04526	1.6
101.02419	0.4
108.43924	0.4
109.06607	8.0
111.04542	1.8
111.08170	1.4
113.09724	0.5
123.04523	0.5
123.08176	10.0
124.08498	0.5
125.02396	0.6
125.06063	0.5
125.09719	1.4
127.07682	0.6
133.06563	0.5
135.08179	8.6
136.05293	0.4
137.06076	0.5
138.06886	3.5
139.07658	1.0
141.09245	4.0
149.06091	0.7
149.09836	0.3
150.06882	23.4
151.07417	1.3
153.09235	16.6
154.09552	0.9
155.10745	0.5
161.09705	0.4
162.06894	1.2
163.07674	4.2
164.08446	4.0
165.09036	0.4
168.00558	0.5
169.01445	0.4
171.10272	0.4
173.08186	1.0
176.08379	0.6
177.09201	1.4
178.09973	1.1
179.10791	11.5
180.11125	1.1
187.09776	19.3
188.10080	0.9
195.06734	0.3
208.45412	0.3
217.10814	37.9
218.11189	2.6
219.02702	0.4
221.11832	0.7
229.10881	0.3
272.12875	0.4
306.18347	0.4
320.19955	1.3
321.20505	1.5
322.21118	0.4
336.19470	1.0
339.21820	0.5
341.19690	1.4
350.20947	1.2
351.21768	4.0
352.21967	0.7
391.24698	0.4
400.48648	0.4
431.28131	0.9
432.28882	0.4
439.28302	2.0
440.28922	0.5
457.29730	0.6
460.28131	0.5
503.29562	0.5
520.30115	0.7
521.31165	9.2
522.31628	2.0
526.94971	0.3
538.31421	0.7
539.32111	1.5
683.36725	5.4
684.36957	1.0
701.37714	100.0
702.38025	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14460	0.3
57.03440	1.5
59.01387	1.7
61.98833	2.3
71.01390	1.3
71.05020	0.6
73.02955	1.0
75.00892	0.8
83.05032	1.1
85.02931	0.4
87.00906	0.7
87.04530	0.5
88.98807	0.6
89.02453	9.8
90.00645	0.3
91.05589	0.4
93.03472	0.8
95.05038	1.0
97.06598	8.0
99.04535	2.0
101.02470	0.6
102.59750	0.3
107.05052	0.5
109.06604	9.7
109.13625	0.4
111.04535	1.3
111.08170	2.7
113.09756	0.8
119.04989	0.4
123.04578	0.4
123.08180	23.4
124.08518	1.0
125.02428	1.2
125.06061	0.7
125.09708	1.0
127.07640	0.8
135.08180	9.5
138.06883	4.3
141.09238	8.9
145.05081	0.4
149.02486	0.4
149.06104	1.0
150.06879	20.7
151.00426	0.5
151.04013	0.6
151.07483	1.1
153.09239	19.2
154.09526	1.0
163.07677	3.2
164.08463	3.1
165.05576	0.5
169.01486	1.0
177.09172	0.5
178.10037	1.0
179.10780	10.7
180.11188	0.5
187.09770	66.6
188.10135	3.5
211.13364	0.3
217.10811	56.2
218.11131	4.1
257.53540	0.4
306.18277	0.7
313.06296	0.4
315.01541	0.4
320.19873	1.3
321.20685	1.6
330.03723	0.4
336.19531	2.1
341.13663	0.4
350.20929	2.3
351.21735	12.1
352.22150	1.2
397.13452	0.4
431.28104	0.9
439.28058	0.5
513.27393	0.6
520.31091	0.4
521.22015	0.5
521.31201	2.4
522.31378	0.8
539.32245	1.3
639.13806	0.5
641.37561	0.5
671.27417	0.6
683.36475	1.8
701.37726	100.0
702.38086	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89390	0.1
57.03426	0.1
58.00616	0.1
59.01378	7.2
60.01706	0.1
61.98832	1.6
69.03461	0.3
71.01385	1.5
71.67965	0.1
73.02946	0.3
78.95899	0.6
81.03452	0.2
83.01398	0.1
83.05032	0.3
85.02963	0.4
87.00893	0.2
88.98814	0.2
89.02457	1.1
95.01409	0.1
97.06609	0.2
101.02462	1.5
108.68135	0.1
109.06623	0.2
110.00330	0.1
111.08199	0.1
113.02464	0.7
119.03523	0.3
125.02481	0.1
143.03531	0.2
145.05074	0.2
152.99680	0.4
155.10803	0.2
161.04564	0.8
162.04993	0.1
162.81392	0.1
165.12865	0.3
167.10817	0.4
167.14404	0.4
171.10313	0.6
172.10635	0.1
175.11317	0.1
179.05643	0.3
181.12425	0.1
183.13913	5.8
184.14275	0.3
193.12354	1.6
194.12657	0.1
195.13921	0.4
209.11852	0.4
211.13402	100.0
212.13734	7.3
218.77469	0.1
225.11395	0.1
235.08228	1.8
253.09268	3.2
254.09532	0.1
277.21658	0.2
295.22781	1.2
341.23276	0.2
387.25522	0.4
405.26563	0.3
406.16785	0.1
412.20453	0.1
429.21262	1.4
430.21448	0.2
447.22342	8.2
448.22736	1.4
499.30792	0.1
597.32666	0.2
623.34515	1.5
624.35199	0.4
641.35400	1.0
642.35901	0.2
701.37573	0.1
702.40070	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	701.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10116	0.6
54.11690	0.6
55.01873	3.9
57.03446	4.3
58.00586	3.0
59.01378	59.5
59.72503	0.7
60.01699	1.1
61.98833	6.4
68.99814	0.7
69.03471	2.6
71.01386	97.7
71.81999	0.7
72.01708	1.9
72.99303	4.5
73.02951	45.5
75.00874	2.0
81.03460	1.7
83.01399	8.6
84.02197	0.8
85.02957	44.8
86.00124	1.3
86.03317	1.0
87.00882	15.2
89.02451	57.3
90.02792	1.2
93.03470	0.7
95.01390	7.7
96.96033	0.8
97.02962	4.8
98.20698	1.2
99.00895	8.4
99.04530	3.5
101.02456	100.0
102.02793	1.4
108.02184	8.0
109.02982	4.0
111.00862	1.7
113.02465	36.8
114.02776	1.2
115.04045	0.9
116.92892	1.3
117.03460	1.3
119.03516	21.6
119.04947	1.0
121.02984	1.7
122.03748	2.1
123.00869	1.9
123.04553	3.9
125.02467	7.0
127.03987	4.0
129.01942	1.5
131.03514	14.2
133.03006	1.0
134.03758	24.1
135.04611	4.2
137.02461	5.1
138.03238	3.7
143.03511	9.0
145.02985	4.1
145.05084	76.2
146.03760	66.0
146.05507	2.8
147.04256	4.3
149.02449	3.0
149.04568	2.3
149.06084	11.4
150.01993	1.0
150.03235	17.1
150.60675	0.7
151.04036	10.4
152.04727	1.4
159.03029	9.0
161.02394	2.6
161.04567	64.9
161.06076	21.5
162.03233	11.8
162.04875	2.3
162.06331	1.1
163.04044	6.8
164.04810	43.0
165.05595	14.3
166.05998	0.9
168.00690	0.9
169.01460	4.3
175.03929	1.1
177.05582	12.5
179.05612	94.2
179.07152	43.3
180.04362	1.4
180.05962	3.1
180.07501	2.5
181.05095	2.5
182.02206	1.0
182.05861	7.7
183.06654	4.5
195.06667	2.1
197.04561	1.5
197.08202	9.5
205.03401	1.6
208.07481	0.7
210.05357	2.8
211.06142	6.7
221.06659	28.8
222.06967	0.9
223.09737	1.3
225.07678	4.6
237.07782	0.8
247.08221	45.7
248.08582	3.7
251.09204	0.8
261.75781	0.8
265.09253	6.9
266.09537	0.7
310.10507	2.1
313.05728	1.1
325.11765	3.3
328.11655	12.3
329.12155	3.9
341.21317	0.8
341.43985	0.8
342.13248	2.2
343.13995	44.8
344.14322	4.1
369.15515	2.0
397.15115	5.3
411.16779	0.7
463.15338	0.8
471.14810	0.8
503.17734	9.5
504.18460	17.9
505.19122	24.5
506.19528	3.1
547.20215	4.0
559.20361	58.0
560.20526	10.0
577.21570	1.0
641.38037	1.4
653.24884	6.4
654.24506	1.0
665.24487	7.9
666.24933	2.0
683.25787	21.5
684.26038	4.7
701.26672	72.1
702.16272	1.3
702.27271	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	701.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10418	0.3
58.16145	0.3
59.01381	100.0
60.01724	1.1
61.61031	0.3
61.98830	4.6
78.95922	1.0
102.94292	0.3
114.08057	0.4
114.98069	0.3
125.09651	0.4
152.99707	0.6
209.11761	0.4
225.11360	0.4
229.81255	0.4
237.05728	0.3
255.23286	0.4
263.68622	0.4
279.23285	0.4
295.22775	0.9
437.12521	1.2
438.13257	3.2
439.13715	1.1
451.14120	0.9
452.15097	1.6
453.15353	1.1
467.13348	0.5
470.12503	0.6
480.14389	0.9
481.15195	28.2
482.15536	8.3
484.13687	0.4
495.16760	10.9
496.17291	3.6
497.18387	5.4
498.18594	1.3
509.14532	0.4
514.14929	2.3
523.15997	0.7
525.14441	0.7
526.14221	0.6
539.15594	1.6
540.16400	7.5
541.16626	1.7
554.18225	2.8
555.18933	46.4
556.19202	14.0
567.19049	0.7
572.15533	14.6
573.15869	3.9
586.17065	5.3
587.17377	1.6
609.19916	1.1
627.21063	1.6
628.21014	0.7
641.22668	24.4
642.22992	8.4
701.24878	63.1
702.25110	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
56.97355	1.2
57.03439	5.2
58.00592	3.0
59.01379	58.1
61.98830	17.2
69.03449	2.9
69.45878	2.8
69.46293	9.9
71.01385	96.1
72.01752	1.5
72.99302	3.7
73.02953	43.5
75.00874	2.1
83.01401	6.1
85.02956	42.4
86.00107	1.6
87.00881	13.3
88.98797	2.1
89.02454	61.3
95.01405	7.6
96.96023	3.5
97.02953	4.8
99.00890	9.5
99.04530	3.3
101.02455	100.0
102.02779	1.8
103.04038	1.3
108.02177	5.7
109.02959	4.0
111.00910	1.5
113.02460	37.0
117.03492	1.4
119.03522	24.8
119.04961	1.6
120.99683	3.3
121.02934	2.7
122.03770	1.8
123.00898	2.0
123.04526	2.7
125.02453	7.5
126.27942	1.2
127.04018	4.1
131.03500	10.3
134.03749	17.2
135.04518	4.5
136.01584	1.8
136.99133	1.8
137.02422	5.1
138.03192	1.4
143.03537	9.6
145.02998	3.9
145.05083	84.0
146.03763	53.8
146.05449	2.2
147.04358	1.7
148.93596	1.1
149.02472	2.6
149.04533	1.8
149.06088	8.2
150.03256	13.8
151.04004	8.3
151.14644	1.1
152.01163	1.3
152.04703	1.3
153.01900	1.3
158.65472	1.1
159.03033	8.6
161.02415	3.5
161.04562	61.1
161.06061	18.6
162.03285	10.2
162.04662	2.0
163.04036	6.0
164.04799	37.4
165.05579	12.3
167.03557	1.7
168.00652	1.7
169.01439	5.4
170.01770	1.2
177.05598	10.0
179.05608	97.9
179.07147	35.9
180.04350	2.2
180.05948	4.1
180.07431	1.9
181.05038	2.3
182.05827	6.8
183.06602	2.7
195.06592	3.5
197.08147	5.9
210.05238	1.5
211.06078	4.3
211.13388	2.6
221.06660	24.4
225.07597	3.4
247.08209	47.2
248.08597	2.6
255.06770	1.3
265.09274	7.6
310.10541	1.3
317.21240	3.5
325.11267	3.2
327.14279	1.8
328.11667	8.1
329.12436	1.3
343.13947	32.8
344.14349	3.6
384.64133	1.2
397.14502	4.3
503.17792	10.4
504.18448	19.6
505.19302	20.2
506.19748	3.0
521.20917	1.9
547.20203	3.4
559.20337	36.0
560.20551	4.9
577.21039	2.2
653.24207	6.0
665.24615	7.4
683.25757	25.7
684.26306	4.8
701.26837	26.2
701.38708	3.1
702.27014	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	701.211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.6
58.25982	0.6
59.01377	5.6
61.98832	11.6
67.01884	1.3
69.03446	2.8
69.72331	3.9
71.01383	8.6
71.26182	0.5
72.99308	1.5
73.02943	2.0
75.00857	0.6
79.01904	1.7
81.03432	0.5
83.01388	3.6
85.02956	3.6
87.00886	2.5
87.27103	0.6
88.98806	1.8
89.02454	13.7
93.03465	0.7
93.42441	0.6
95.01394	2.9
97.02968	1.9
97.06604	1.1
98.19794	0.7
99.00894	1.1
101.02450	3.6
107.01402	15.5
109.02954	1.5
110.00089	0.6
111.00909	4.8
113.02470	3.1
119.05024	0.7
121.02968	2.3
122.03760	0.9
123.00906	18.5
123.04530	1.5
123.08166	1.6
124.01701	4.4
125.02463	71.5
126.02778	1.5
127.00383	1.6
127.07664	0.7
134.03580	0.7
135.04549	1.8
136.01682	20.7
136.05273	1.1
136.98836	2.2
137.02496	5.3
137.06065	0.6
138.03210	0.8
139.00406	6.9
139.04016	5.4
139.11247	0.6
140.01176	6.1
141.01921	2.1
141.09164	0.7
145.02939	0.9
147.04558	1.2
148.05292	1.1
149.02432	0.9
149.06133	0.9
149.99538	0.7
150.03217	1.7
150.06886	16.9
151.00401	9.0
151.04031	13.2
151.07375	0.8
152.01147	0.7
152.04370	1.0
153.01978	1.6
153.09195	0.6
154.71112	0.5
159.04561	1.6
160.05354	3.6
161.04649	0.7
161.06032	1.5
162.06920	1.2
163.04010	1.6
163.07652	2.5
164.01152	0.7
164.08406	3.3
165.01926	1.2
165.05531	1.7
165.09241	1.0
166.99878	2.0
167.03548	1.0
168.00667	13.7
169.01445	76.7
170.01785	3.9
173.05974	0.9
173.08212	10.9
175.04053	1.0
175.07735	3.1
177.01898	0.6
177.05653	1.0
177.09218	0.7
178.10048	0.8
179.03523	0.8
179.10796	9.4
181.05151	0.8
181.24371	0.6
181.69772	0.6
183.03000	22.3
184.03316	0.9
187.09740	5.0
193.01375	0.8
195.02943	0.7
195.06689	1.6
197.04514	0.9
203.03532	0.8
204.04414	0.8
205.05086	1.8
206.02271	0.7
206.05930	0.7
207.02829	0.6
210.01846	0.7
211.02466	1.5
211.13428	1.9
217.05017	3.1
217.10858	2.1
218.05750	1.1
219.03004	1.5
219.06625	2.8
221.04626	0.7
225.04025	0.6
233.08156	0.8
234.05322	1.4
235.06091	1.2
241.03505	1.2
249.07658	0.8
257.92130	0.5
271.04837	0.7
279.08771	1.3
297.06149	0.8
299.12756	0.6
299.99133	1.1
312.04929	1.5
313.05658	15.7
314.05975	1.2
315.12338	0.9
327.07208	6.5
328.07843	1.1
329.13950	1.2
329.19757	0.8
341.10254	1.6
350.20740	1.0
351.21722	1.3
355.11899	1.7
364.22647	0.7
365.23318	3.2
373.12872	2.7
374.13657	0.5
387.14471	5.7
393.26492	1.7
395.64621	0.7
397.13519	1.7
405.26093	0.6
431.27917	0.5
503.34045	1.0
509.31390	3.4
517.17426	0.7
521.30902	0.7
538.31451	1.2
539.32080	4.8
540.32355	0.9
549.19720	0.8
657.22247	4.8
658.22015	0.9
669.18243	21.1
670.18762	4.8
683.32990	2.8
701.21240	100.0
701.37708	56.5
702.21631	23.8
702.37988	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	701.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
55.38835	0.3
57.03453	0.3
59.01388	2.8
61.49915	0.3
61.98832	5.1
65.00310	0.6
67.01893	1.9
68.99833	0.8
69.03467	1.3
71.01385	5.7
71.23479	0.8
72.99316	1.0
73.02947	0.8
75.00867	0.3
79.01913	1.2
81.03476	0.9
83.01405	1.2
84.72754	0.3
85.02946	1.6
87.00889	1.1
88.98807	0.9
89.02451	0.9
95.01405	2.4
96.99332	0.5
97.02963	2.0
98.01460	0.3
99.00900	0.5
101.02473	2.1
107.01407	16.1
108.02251	1.6
109.02970	1.5
110.00070	0.4
111.00893	3.7
111.24086	0.3
113.02476	2.4
116.92881	0.3
119.05032	0.4
120.11817	0.3
121.02990	1.5
122.03777	0.5
123.00904	16.7
123.04527	0.7
124.01705	3.1
125.02466	69.4
126.02816	2.0
127.00391	1.1
134.03748	0.4
135.04533	0.6
136.01683	17.2
136.98853	2.1
137.02484	4.6
138.03058	0.3
139.00381	5.0
139.04012	4.5
140.01195	5.6
141.01994	1.9
147.04539	1.5
148.05334	0.5
149.02481	1.0
149.99692	0.4
150.03242	1.2
150.06874	0.5
151.00397	9.1
151.04027	12.2
151.05238	0.7
152.01172	1.5
153.01936	1.6
154.99947	0.4
159.04602	1.7
160.05334	2.6
161.02432	0.6
161.06091	1.3
162.06862	0.5
163.04059	0.9
164.04782	0.7
165.01941	1.1
165.05534	0.6
166.99863	1.1
167.03537	1.0
168.00674	10.0
168.02112	0.5
169.01445	77.7
170.01791	3.2
173.06038	0.5
174.03279	0.6
175.03987	0.8
175.07668	2.0
177.05562	0.7
178.02795	0.4
178.06354	0.4
179.03532	1.1
181.01437	0.9
182.02245	0.6
183.03001	19.8
184.03368	0.9
187.03979	0.4
193.01410	0.5
195.06654	1.0
197.04498	0.6
204.04245	0.4
205.05128	0.6
210.01820	0.5
211.02457	1.9
217.05141	0.5
219.03035	0.7
219.06538	0.7
225.04152	0.6
233.08107	0.4
234.05368	0.8
235.06297	0.4
237.04097	0.4
241.03584	1.3
249.07562	0.5
253.03314	0.5
275.88193	0.3
279.08762	0.7
284.10489	0.5
297.06119	1.0
299.12769	0.6
302.90952	0.4
312.04883	1.3
313.05649	15.4
314.05954	1.6
327.07169	4.2
327.12863	0.4
328.07422	0.6
329.13956	2.0
330.14389	0.4
341.10510	0.4
343.21179	0.4
355.11530	0.6
373.13004	1.2
387.14471	0.6
458.47440	0.3
491.19287	0.6
503.33496	0.5
535.17554	0.4
539.28284	0.5
657.21497	0.4
669.18280	15.7
670.18591	2.8
701.21051	100.0
702.21436	24.7
702.34412	1.1
711.53009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	7.7
61.98830	20.0
65.62979	1.3
69.75724	9.8
71.01382	5.0
72.99310	1.6
73.02957	2.0
78.95902	2.5
87.00848	1.9
89.02477	3.1
92.20937	1.4
98.19864	2.6
101.02451	3.4
105.94924	1.4
111.08202	1.7
113.02500	1.8
165.12898	7.6
183.13911	67.9
184.14235	5.4
184.89812	1.3
207.10280	3.7
209.11810	3.8
225.11351	4.2
227.12820	3.5
235.08243	5.0
253.09331	6.4
253.21732	100.0
254.22108	8.5
255.23296	11.6
282.99167	1.4
293.21194	1.5
445.20786	1.5
489.31076	2.0
521.74176	1.4
546.33276	1.6
699.43494	90.2
700.43787	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98833	100.0
62.98547	0.2
66.17123	0.1
71.01387	0.4
76.72483	0.1
87.00952	0.1
88.98822	0.3
89.02502	0.2
109.07183	0.1
126.55602	0.1
132.95406	0.1
138.15553	0.1
144.19672	0.1
171.10321	0.5
172.10590	0.2
173.60144	0.1
180.06204	0.1
197.11870	0.3
209.11938	0.4
211.13467	0.3
225.11339	0.2
227.49060	0.2
229.81110	0.1
253.09344	0.2
286.06821	0.1
361.33328	0.1
386.23871	0.1
499.30682	0.2
500.31277	0.5
517.31946	0.4
518.32434	0.4
519.32733	0.2
520.32489	0.1
520.83856	0.1
622.32806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98249	0.3
57.03449	0.3
57.39901	0.3
58.00613	0.3
59.01373	3.0
60.97648	0.3
61.98827	2.3
71.01381	2.5
71.71513	0.4
71.71867	0.3
73.02961	0.9
75.00807	0.3
78.95908	0.3
80.02686	0.7
81.03474	0.7
83.01400	0.4
83.05035	2.6
84.02158	0.4
85.02971	0.7
87.00894	0.7
89.02454	1.5
95.01409	0.3
95.05056	0.3
101.02443	2.7
107.92659	0.3
109.06638	0.4
113.02467	1.0
119.03518	0.5
125.06120	0.4
133.05086	0.4
135.08167	0.3
145.05078	0.9
161.04572	1.1
163.11319	1.8
165.12842	1.4
181.12376	0.3
191.10814	0.6
207.10161	0.6
209.11832	64.5
210.12166	4.2
218.68147	0.3
223.76372	0.3
225.11429	0.8
227.12895	8.1
228.13206	0.7
235.08209	5.7
253.09297	7.1
253.21707	100.0
254.09491	0.4
254.22040	10.2
255.23328	2.3
268.82147	0.3
293.21304	0.7
445.20612	0.6
489.30682	1.0
530.46136	0.3
577.74768	0.3
699.44098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.3
60.99249	0.4
61.98829	8.7
71.01397	3.1
71.74550	0.6
71.94769	0.4
73.02943	0.6
75.00838	0.5
79.95716	0.4
79.96586	0.4
85.02954	1.0
87.00871	0.9
88.98805	1.4
89.02444	2.0
101.02442	2.5
113.02444	1.8
119.03511	0.6
133.05040	0.4
158.63162	0.5
161.04524	1.3
161.50136	0.4
171.10291	4.0
179.05536	0.8
183.13913	5.4
193.12381	1.1
209.11839	94.7
210.12166	7.3
211.13403	100.0
212.13736	6.5
232.90051	0.4
235.08221	4.5
241.21758	1.2
253.09264	7.5
254.09622	0.5
261.58914	0.4
279.31241	0.5
291.19681	1.2
295.32559	0.5
309.20657	0.6
397.13254	2.0
415.14606	0.7
429.21109	3.1
445.20712	4.0
446.20978	0.7
447.22443	6.4
448.22687	1.2
490.18210	0.5
639.34241	1.5
663.39026	0.7
699.39349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28193	0.3
57.03450	0.3
59.01376	3.0
59.43898	0.3
61.98831	97.6
63.02380	0.5
65.00334	0.7
65.24771	0.3
72.29330	0.3
73.02941	0.5
80.96518	0.3
83.01410	0.9
85.02953	0.5
87.00935	0.4
88.98813	0.8
89.02458	0.9
93.03479	0.8
101.02434	1.3
107.01404	2.4
109.02929	0.4
113.02450	0.7
117.03493	1.9
119.05033	2.1
119.84829	0.4
121.03006	0.4
123.04562	0.4
125.02469	1.0
130.04189	0.3
132.02220	0.9
135.00887	0.8
145.02974	6.6
151.00392	3.8
153.01944	0.9
155.05099	0.3
163.00389	1.3
163.04047	1.3
164.01132	0.5
164.04579	0.3
166.51343	0.3
169.01431	1.2
183.04500	0.7
185.06038	1.1
187.04004	1.3
189.05695	0.7
195.04622	0.5
197.06151	0.5
199.03972	0.5
200.04735	0.5
209.11922	0.8
211.03996	2.0
212.04829	0.7
213.05563	1.5
227.03513	26.8
228.03831	2.3
229.05052	5.2
230.05247	0.4
239.03502	1.3
240.04031	0.6
241.05045	1.0
255.02982	52.4
256.03629	9.9
257.04535	3.6
258.04935	0.4
267.02951	0.5
283.02405	0.7
284.03256	71.2
285.04004	47.9
285.07352	0.7
286.04395	3.7
349.09351	0.7
429.07742	0.5
489.10291	1.3
505.33621	0.6
575.12427	0.5
635.14166	100.0
636.14484	19.0
637.38074	0.9
638.37988	0.5
697.33173	0.7
698.31665	0.5
699.33789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
61.98829	100.0
62.98533	0.2
62.99241	0.1
63.36615	0.1
64.33317	0.0
71.01391	0.1
71.67334	0.1
80.96522	0.1
88.10381	0.1
89.04018	0.1
93.54413	0.1
94.30307	0.0
95.76662	0.0
101.02440	0.1
109.02996	0.1
121.02940	0.1
131.21002	0.1
132.02159	0.1
133.02972	2.9
134.03841	0.3
135.04555	0.9
137.02470	0.3
137.93521	0.1
139.04062	0.1
144.30202	0.1
161.02457	9.5
162.02747	0.4
178.02756	0.1
179.03514	0.2
199.09741	0.1
201.11316	0.6
209.11877	0.2
235.08253	0.1
253.09300	0.1
253.21848	0.1
258.49979	0.1
277.21753	0.7
300.31158	0.1
425.81839	0.1
497.32776	0.1
633.38055	19.9
634.38385	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	696.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.1
61.98831	100.0
62.98529	0.2
62.99258	0.1
70.89645	0.2
113.02377	0.1
116.92896	0.2
118.93874	0.1
125.09787	0.1
133.02980	0.4
135.04620	0.1
138.10147	0.1
161.02475	1.2
199.09816	0.1
201.11351	0.6
253.09377	0.2
277.21826	0.6
277.24515	0.1
401.97086	0.1
618.28436	0.1
633.38153	1.8
633.48022	0.1
634.38434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41074	0.2
56.98761	0.2
59.01368	0.5
61.98831	100.0
71.01388	0.2
78.95907	0.3
80.96532	0.2
83.05013	0.2
83.32952	0.2
88.84913	0.2
99.92592	0.4
112.72534	0.2
116.92867	2.9
132.02162	0.2
133.02985	3.3
134.03775	0.3
135.04562	0.8
137.02451	0.5
143.50653	0.2
161.02463	10.3
162.02800	0.6
162.92955	0.2
171.10329	0.2
179.03497	0.3
199.09695	0.2
209.11813	2.0
209.14914	0.2
225.11371	0.4
227.12836	0.3
251.20151	2.4
253.09311	0.3
255.23302	0.6
277.21725	0.5
315.87595	0.2
367.74121	0.2
633.38062	23.7
634.38361	5.6
678.40289	0.4
696.40546	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01366	0.1
59.01370	0.1
61.98831	100.0
62.98529	0.2
70.11610	0.2
70.12031	0.1
74.56764	0.1
98.19947	0.1
106.83551	0.1
109.16410	0.1
120.93761	0.1
121.50090	0.1
135.04562	0.1
145.03011	0.1
171.10228	0.1
179.03587	0.1
207.92047	0.1
273.48718	0.1
297.40680	0.1
570.11749	0.1
633.37799	0.6
634.38983	0.1
639.16229	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	696.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51878	0.1
59.01384	0.1
61.98830	100.0
62.98547	0.1
71.72394	0.1
78.95942	0.1
87.00880	0.1
88.98750	0.1
94.59799	0.1
117.03439	0.1
119.77578	0.1
145.02950	0.5
171.10217	0.3
178.27039	0.1
295.55176	0.1
307.19165	0.1
317.52255	0.1
633.37842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3672
Annotation	Trilocularoside A
Peak:m/z	Relative Intensity
55.01867	0.3
57.03443	0.4
58.00593	0.4
59.01383	11.1
60.99302	1.1
61.98832	20.4
71.01392	6.7
71.05025	1.8
71.72128	0.4
72.99296	0.9
73.02947	0.9
73.73453	0.3
75.00885	0.7
83.01398	0.7
85.02966	2.0
87.00882	0.8
89.02455	4.9
92.27383	0.3
93.03452	0.5
95.01405	0.7
96.26100	0.3
99.00894	0.4
99.04508	0.3
101.02457	4.4
111.00902	2.9
112.73804	0.3
113.02462	2.1
119.03538	1.8
119.08570	0.3
119.66909	0.3
119.77950	0.3
122.06255	0.3
125.02436	1.2
128.79478	0.3
135.04561	0.4
136.01680	0.4
137.02419	0.4
140.53745	0.3
151.04042	0.7
161.04640	0.4
165.02014	0.3
165.05588	0.4
169.01424	0.9
173.04555	0.3
177.01955	0.5
195.06587	0.4
205.12201	0.4
271.51666	0.3
285.03925	0.6
323.23816	0.5
339.23380	0.3
377.28558	1.2
393.27951	0.7
395.29520	0.9
397.31592	0.4
405.28009	0.6
407.30008	0.5
408.11575	0.3
423.29315	2.4
424.29578	0.6
439.28662	1.6
441.30063	2.1
442.30249	0.4
453.30014	2.3
454.30679	0.5
457.29675	1.2
467.28128	0.9
469.29993	0.4
471.31165	11.8
472.31607	2.3
485.29037	6.0
486.29373	1.1
489.32181	1.0
490.32819	0.4
515.30176	13.4
516.30432	2.5
527.30450	0.5
533.31122	18.2
534.31421	4.0
575.32318	1.5
647.34570	1.1
695.36725	100.0
696.37054	24.8
713.37402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
58.00581	0.4
59.01379	6.5
60.99304	0.5
61.98841	1.2
62.53336	0.2
68.99808	0.3
71.01384	3.2
71.04994	0.8
72.99297	0.4
73.02971	0.3
83.01393	0.2
85.02958	0.6
89.02450	1.8
93.33691	0.2
95.01374	0.3
98.20610	0.4
101.02458	1.9
101.06095	0.3
111.08102	0.2
113.02469	1.0
119.03500	0.8
121.06556	0.2
124.87928	0.2
125.02484	0.4
130.69576	0.2
169.01463	0.2
175.75078	0.2
191.14294	0.3
229.77832	0.2
329.68039	0.2
339.22830	0.2
363.26724	0.2
375.27042	0.4
377.28708	1.3
379.30063	0.6
389.28833	0.4
391.30020	0.5
393.28043	1.2
395.29572	1.0
405.28067	0.6
406.28677	0.2
407.29688	2.0
408.29889	0.5
409.31366	0.4
411.29041	0.2
422.28125	0.3
423.29016	5.8
424.29517	1.3
425.30698	1.0
427.32092	0.2
439.28400	0.9
440.29205	0.3
441.30008	1.2
442.30753	0.3
453.30060	1.0
457.29639	0.4
467.27625	2.7
468.28290	0.5
469.29578	0.3
471.31152	9.3
472.31525	1.8
481.29565	0.3
485.28998	15.2
486.29373	3.6
489.28796	0.2
503.29645	0.2
527.30121	2.8
528.30402	0.6
533.31085	1.5
534.31384	0.3
539.19897	0.2
561.89722	0.2
647.34442	1.8
648.34424	0.4
695.36646	100.0
696.36993	25.8
697.37799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3668
Annotation	Trilocularoside A
Peak:m/z	Relative Intensity
57.03443	0.9
57.52076	0.3
58.00595	1.1
59.01377	11.2
60.01734	0.4
60.99308	2.8
61.98832	12.3
68.28304	0.3
71.01387	6.0
71.05025	18.8
71.73418	0.5
71.73796	0.4
72.05355	0.5
72.99302	1.0
73.02957	1.1
75.00868	1.0
83.01383	0.4
83.05039	0.4
84.69289	0.3
85.02952	1.9
85.06593	0.9
86.00100	1.3
87.00887	0.7
87.04517	0.3
88.98828	0.5
89.02464	3.8
93.03447	0.4
96.96023	0.4
97.06628	0.4
99.00887	0.6
101.02458	3.2
111.00900	2.6
113.02450	1.7
116.92855	0.6
119.03529	1.2
119.04936	0.4
120.99707	0.3
123.00863	0.4
125.02457	1.4
135.04568	0.4
137.02460	0.5
150.03270	0.4
161.04672	0.4
165.05559	0.6
168.00565	0.4
169.01430	1.4
173.00905	0.4
173.04573	0.6
195.06673	0.5
199.09993	0.3
205.81874	0.3
231.03090	0.3
247.11336	0.3
289.19589	0.7
305.22668	1.6
308.75937	0.4
323.23782	1.2
325.11298	0.3
345.13321	0.3
375.26828	0.4
379.26508	0.4
386.24442	0.6
387.82169	0.3
391.29919	0.9
393.28079	0.6
395.29413	0.5
399.25430	1.2
405.28104	0.7
407.29715	0.4
409.31015	0.9
411.29047	0.4
423.28915	1.2
425.30881	0.6
441.30347	0.7
453.30301	2.4
454.30258	0.5
471.31146	27.3
472.31424	4.8
473.29074	3.4
474.29504	0.8
479.31464	0.4
489.32104	0.4
497.34909	0.7
515.29871	1.0
533.31152	14.4
534.31232	3.8
575.32336	14.3
575.41730	0.5
576.32581	2.9
605.33252	1.2
632.34186	0.5
635.34412	2.5
636.35022	1.0
659.24933	0.4
695.36694	100.0
696.36993	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	695.3667
Annotation	Trilocularoside A
Peak:m/z	Relative Intensity
57.03434	0.7
58.00591	1.5
59.01381	7.1
60.99310	8.0
61.98832	9.8
70.37041	0.2
71.01385	4.4
71.05024	17.2
72.05350	0.4
72.99298	0.4
73.02946	0.7
75.00878	1.2
83.01391	0.6
83.05022	0.6
85.02966	1.4
85.06603	0.8
86.00105	1.3
87.00885	0.4
88.72470	0.3
88.98812	0.4
89.02449	2.1
96.96024	0.6
97.06602	0.4
98.20640	0.5
99.00866	0.3
100.23917	0.2
101.02454	2.8
101.46568	0.2
109.02946	0.3
111.00903	0.7
111.27227	0.2
112.59403	0.2
113.02465	1.6
116.92864	1.0
119.03517	0.7
119.08662	1.1
121.66228	0.2
123.00899	0.5
123.08135	0.3
124.17822	0.3
125.02460	1.0
127.35374	0.3
131.03473	0.4
137.02562	0.4
139.00465	0.2
142.02652	0.3
149.04556	0.5
153.01935	0.5
164.17722	0.2
169.01414	0.9
195.06621	0.3
267.15936	0.7
289.19614	0.7
305.22815	1.2
308.28479	0.3
319.24454	0.3
323.23874	1.3
375.27087	0.5
377.24847	0.3
379.26367	0.5
386.24557	1.2
387.25458	0.4
391.29999	0.7
393.27853	1.6
394.27942	0.3
395.29602	0.7
399.25378	2.4
405.27884	0.4
407.29834	0.5
409.31161	1.3
411.29211	0.5
423.29184	1.5
425.30417	0.7
426.31165	0.3
441.30075	0.7
453.30035	3.9
454.30310	0.6
470.30316	0.7
471.31140	28.1
472.31451	5.4
488.31665	0.6
503.31909	0.5
515.30377	1.0
533.31134	18.6
534.31488	3.2
575.32300	14.0
576.32581	2.5
605.33228	0.4
632.33704	3.3
633.33942	0.9
635.34766	2.8
636.35803	0.5
695.36725	100.0
696.37006	25.2
697.37067	0.3
711.67902	0.3
713.36865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	0.3
59.01382	21.7
59.49644	0.1
61.98835	6.7
71.01389	1.7
71.75516	0.3
72.99322	0.3
73.02956	0.2
76.08835	0.2
78.95927	0.7
83.01386	0.2
85.02958	0.4
88.98827	0.3
89.02453	1.0
93.54362	0.2
97.02943	0.2
101.02438	1.4
111.00924	0.2
113.02471	0.7
116.92971	0.2
119.03535	0.8
125.02517	0.2
131.03534	0.3
144.04086	0.1
150.03271	0.4
152.99634	0.3
161.04630	0.5
167.65303	0.1
171.10320	0.6
172.10567	0.1
183.13898	0.9
184.14319	0.4
185.11890	0.3
185.79036	0.1
207.10374	0.2
209.11871	1.4
210.12198	0.2
211.13487	1.7
227.12930	0.6
253.09283	0.2
285.03857	0.2
293.21201	0.5
294.21588	0.6
295.22131	0.3
300.02768	0.3
324.61398	0.2
330.28192	0.2
333.19135	0.2
335.22348	0.2
339.25302	0.3
363.11902	0.2
398.13892	0.2
447.22446	0.2
471.34799	100.0
472.35165	15.0
485.36142	0.6
501.31052	0.2
504.96036	0.2
547.10864	0.2
633.40204	0.9
634.40601	0.3
639.34784	0.2
657.34418	0.5
675.35327	1.0
693.32782	0.5
693.42133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
57.03460	0.9
58.00640	0.4
59.01380	8.5
60.99319	0.7
61.98835	52.2
63.99232	0.4
67.01904	0.9
69.03465	0.8
70.90287	0.6
70.90652	1.2
71.01388	5.2
71.05031	1.2
72.99319	1.1
73.02955	1.5
78.95898	0.5
79.01915	1.2
80.99702	0.3
83.01412	1.2
83.05036	1.0
85.02970	2.6
87.00880	1.2
87.24403	0.4
88.98816	1.5
89.02457	2.9
93.03455	0.6
95.01388	2.3
95.05014	0.6
96.96042	3.0
97.02979	0.7
101.02463	3.6
104.85452	0.4
107.01405	3.0
108.02247	0.6
109.02969	1.0
109.06641	0.6
110.00080	0.5
111.00900	2.8
111.72962	0.4
113.02469	2.5
116.92886	1.5
117.03436	0.4
119.03510	0.5
119.05097	0.5
121.02975	0.9
123.00906	12.5
124.01672	1.1
125.02469	14.7
126.02814	0.9
127.00400	0.9
133.02971	4.4
135.04558	3.1
136.01709	0.5
136.98824	0.8
137.02464	1.2
139.00417	3.0
140.01147	2.9
141.01935	1.5
141.08908	0.3
142.32166	0.4
145.02946	1.2
149.02472	0.5
149.06102	0.4
151.00395	8.5
151.04018	0.9
153.02020	1.9
160.05310	0.5
161.02466	15.2
161.04501	0.6
161.06075	0.9
163.04007	1.0
165.01947	0.4
165.05635	0.5
167.03592	0.4
168.00652	1.9
169.01443	14.9
170.01799	0.7
172.05290	0.9
175.04015	0.4
176.01244	0.4
177.01888	0.8
179.03560	1.6
191.03616	0.5
191.05629	0.6
201.11299	1.4
202.11679	1.2
209.11824	6.3
210.12209	4.4
210.98691	0.4
211.02513	0.9
211.12396	2.0
212.12706	0.8
227.12962	1.1
228.13242	0.8
271.04620	0.9
300.99759	0.7
313.05637	1.2
323.07681	1.3
327.08667	0.5
338.82312	0.5
356.09018	1.0
371.11395	4.6
417.57431	0.4
471.31104	1.2
503.32870	0.7
532.29340	0.8
533.16449	1.1
533.31836	1.2
543.24445	0.4
608.35260	0.4
631.33484	100.0
632.33820	22.5
632.42133	0.3
634.34924	0.4
635.37518	0.7
657.35095	1.0
658.35498	1.4
659.36401	2.8
694.34772	3.4
695.19537	4.6
695.37213	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28951	0.3
58.00592	1.7
59.01381	26.8
59.51818	0.3
60.99287	1.1
60.99588	0.3
61.27473	0.3
61.98829	8.3
62.80106	0.3
67.01882	0.3
69.03447	0.9
70.07328	1.2
70.07748	0.7
71.01386	20.1
71.05028	4.3
72.99307	1.6
73.02952	0.7
76.44790	0.3
83.01391	1.1
85.02961	4.1
87.00867	1.2
88.98843	0.6
89.02453	20.1
93.03449	0.9
95.01397	1.2
97.02925	0.3
98.20574	0.4
99.00899	0.4
101.02457	12.9
109.02961	0.4
109.20981	0.3
111.00851	0.4
113.02462	7.7
116.92826	0.4
119.03524	8.1
123.00921	0.7
125.02480	1.6
131.03513	0.8
137.02487	0.4
142.05046	0.3
143.03511	2.1
149.04553	0.6
150.03207	0.6
151.00414	0.4
161.04576	2.3
169.01456	2.6
179.05630	9.4
180.05908	0.4
209.11855	1.0
227.12868	0.7
303.19455	0.4
333.22269	0.3
344.12631	0.3
359.15067	1.1
385.23471	0.3
393.28516	0.4
409.27277	0.9
418.25015	1.0
421.27567	1.7
427.28751	0.3
432.66827	0.4
433.27390	1.1
436.26184	1.3
439.28531	4.1
440.28793	0.9
450.24020	3.0
451.28552	35.2
452.28848	6.1
457.29623	4.0
458.29868	0.7
465.26532	3.3
466.26953	0.5
468.24869	1.6
469.29681	12.0
470.29800	2.6
483.27551	4.8
484.27936	0.9
487.30826	1.0
513.28314	0.4
525.28375	0.4
531.29803	3.5
532.29968	0.7
573.31122	1.2
585.20728	0.3
631.33954	1.6
633.34430	0.4
645.32806	1.4
646.33606	0.4
663.34174	0.8
693.35150	100.0
694.35559	26.3
702.52997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.4
57.03465	0.6
58.00606	0.4
59.01380	8.5
59.01662	0.5
60.99329	1.3
61.98830	17.6
69.02859	0.3
69.03472	0.3
71.01383	4.7
71.01752	0.3
71.05022	8.1
72.99337	0.4
73.02957	1.3
75.00900	0.6
76.48508	0.3
78.91914	0.3
79.01909	0.4
79.25797	0.3
80.91695	4.0
80.92098	0.3
83.01424	0.5
83.05058	0.5
85.03001	1.2
86.00092	0.5
87.00901	0.4
87.04556	0.4
88.98859	0.6
89.02457	2.7
93.03497	0.5
95.01430	0.8
95.05056	0.6
96.96016	1.5
97.06590	0.4
98.95631	0.5
99.00915	0.4
101.02463	2.6
107.01423	0.4
107.05013	0.3
109.03026	0.3
109.06622	0.7
111.00931	0.5
113.02470	1.8
115.92189	0.3
116.92906	0.6
119.03513	0.6
119.05042	0.5
119.08677	7.6
119.09459	0.6
120.09113	0.3
121.06626	0.6
123.00891	2.6
125.02446	3.5
128.04652	0.3
131.08772	0.3
133.06659	0.9
135.08171	0.6
137.02477	0.7
137.09749	0.3
139.00414	0.5
140.01187	0.6
147.08292	0.4
149.02525	0.5
150.03221	0.5
151.00363	1.6
151.04010	0.6
153.02051	0.3
157.06627	0.4
161.04663	0.6
163.07675	1.8
165.05569	0.4
168.00664	0.9
169.01440	4.0
173.04659	0.4
173.09744	0.7
175.11308	1.6
179.05727	0.6
185.09744	0.5
187.11328	0.4
189.12912	0.9
197.09718	0.4
198.95882	0.8
201.11327	0.4
209.11847	1.0
209.53969	0.3
213.12917	0.6
215.14632	0.3
227.12921	0.8
229.14444	0.6
231.13896	0.4
242.94864	2.3
253.09363	0.4
257.15543	1.6
259.17081	0.9
260.95850	0.4
273.18646	1.1
275.20261	0.6
287.15015	0.8
287.20187	0.3
291.17554	1.1
305.19174	0.3
305.22687	0.3
307.20673	5.9
308.21091	0.8
323.20322	0.5
323.23642	2.1
325.11179	0.4
325.21716	3.1
326.22128	0.3
335.23865	0.8
341.24866	1.3
342.08975	0.3
347.23770	0.4
353.24786	1.3
365.24567	0.3
375.23288	1.0
381.27744	0.3
387.21750	0.6
389.28601	0.4
391.26404	5.1
392.26620	0.4
395.25919	0.5
403.24982	0.5
405.28339	0.4
407.29544	13.6
408.29819	2.3
409.27371	1.5
411.29095	0.6
423.29019	0.6
425.30643	17.2
425.85037	0.4
426.31091	2.4
433.33368	0.4
441.29941	0.6
449.30328	0.4
451.28436	0.5
469.29694	2.0
471.16623	1.0
471.31345	1.3
483.27289	0.5
487.30637	39.3
488.30984	7.4
493.29782	0.3
495.33109	0.9
511.30740	0.8
512.31189	0.4
513.28064	0.5
529.31537	0.7
531.29596	7.2
532.29718	1.3
573.30713	15.1
574.31061	3.3
575.43939	0.4
603.31842	1.5
604.32172	0.5
630.32117	0.4
631.33490	15.1
633.33044	3.1
634.34229	0.4
693.15576	2.5
693.35083	100.0
694.16064	0.8
694.35406	25.2
711.36450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.7
61.98834	16.7
70.70244	5.3
71.01370	2.3
78.95901	1.4
80.96554	2.1
88.53582	1.5
89.02435	3.8
89.17359	1.6
96.96051	1.3
100.67055	1.5
101.02434	3.0
101.45404	1.3
116.50890	1.5
171.10258	4.5
183.13925	2.3
197.11908	1.6
209.09816	3.0
209.11839	62.2
210.12134	4.4
211.13408	100.0
212.13782	8.8
227.12888	16.7
235.08128	5.2
253.09309	6.2
295.22861	3.3
298.60187	1.4
397.13528	2.4
399.07147	1.9
429.21362	2.0
445.20642	2.0
447.22385	22.1
448.22803	2.2
471.34866	2.2
517.31604	3.6
621.32715	2.7
635.48767	1.8
639.33862	5.2
693.32697	50.0
694.32495	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	693.328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69123	0.4
55.01871	0.7
55.62973	0.4
57.03451	1.1
58.32138	0.4
59.01381	10.1
59.47687	0.5
60.41296	0.4
60.42503	0.4
61.98832	50.6
63.08473	0.4
67.01881	0.7
69.03446	0.5
71.01385	7.0
71.67810	0.7
72.99299	1.4
74.14398	0.4
75.00882	0.8
79.01908	1.0
80.19495	0.4
83.01399	1.3
85.02946	2.4
87.00878	1.2
88.98824	1.8
89.02454	2.6
95.01411	1.3
95.05029	0.7
96.96015	1.3
99.00905	0.9
100.17443	0.4
101.02461	4.3
107.01405	4.3
109.02950	0.7
111.00887	2.5
113.02462	2.4
115.00456	0.5
116.92897	1.1
119.03528	0.7
123.00902	13.4
123.04458	0.5
124.01740	1.0
125.02464	17.5
126.02795	0.7
127.00353	0.9
136.98840	1.6
137.02473	0.5
139.00400	4.4
140.01175	3.1
141.01930	2.6
144.28760	0.5
151.00392	8.0
151.04025	0.5
151.96553	0.5
153.01996	1.6
161.04559	0.8
165.05536	0.6
165.12830	0.6
166.02803	0.5
167.03439	0.6
168.00679	4.3
169.01450	19.4
170.01758	0.6
171.10330	0.8
177.01894	0.9
185.06085	1.0
185.11891	1.1
191.05721	0.6
201.11310	1.0
209.11896	4.5
210.12137	1.3
211.02484	5.8
211.13478	1.4
227.12862	1.2
229.14572	0.7
234.98088	0.5
253.09322	0.6
271.04651	3.0
297.12125	0.7
313.05530	1.1
407.29886	0.7
441.30133	1.5
469.29932	0.6
471.31326	3.6
472.31927	1.0
487.34247	0.8
501.31131	1.8
531.32855	0.8
627.33740	2.3
630.31946	1.4
631.33417	12.6
633.35394	2.0
649.37311	0.8
655.34406	0.6
657.35010	100.0
658.35309	26.1
693.35870	4.7
694.24939	0.6
694.36505	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30738	0.1
56.54959	0.1
57.03440	0.4
58.00608	0.3
58.14870	0.2
59.01378	3.8
61.98833	6.9
69.27818	0.2
71.01384	2.8
71.01754	0.2
71.21880	0.2
71.22231	0.2
72.99298	0.2
73.02943	0.8
78.95905	0.1
80.02688	1.0
81.03465	1.0
81.11584	0.2
83.01406	0.6
83.05036	4.1
83.05523	0.3
84.02197	0.6
84.05372	0.2
85.02961	0.8
87.00902	0.3
88.98810	0.3
89.02454	2.5
93.03459	0.2
95.01391	0.3
95.05052	0.7
96.96056	0.2
97.06622	0.2
99.00893	0.2
101.02452	2.5
109.02925	0.2
111.00922	0.2
113.02456	1.5
116.92896	0.2
119.03522	0.5
119.87294	0.2
123.00925	0.5
123.08118	0.2
125.02464	0.7
125.06129	0.5
125.09757	1.0
127.11304	1.1
128.77280	0.2
131.03534	0.4
135.08188	0.7
137.02484	0.2
137.09715	0.4
139.11351	0.2
149.04506	0.3
150.03268	0.7
151.00443	0.2
155.10825	0.5
161.04584	1.2
163.11316	2.9
165.05595	0.7
165.09200	0.4
165.12877	2.1
168.00719	0.2
169.01445	0.4
171.10268	1.4
172.10709	0.2
179.05597	0.4
181.12384	0.6
186.25502	0.2
191.05693	0.3
191.10817	0.9
195.06616	0.3
199.09727	0.4
199.13368	0.3
201.11349	22.6
202.11766	1.4
207.10297	0.3
209.11845	100.0
210.12189	7.4
223.13533	0.2
225.11287	0.4
227.12904	14.5
228.13260	1.4
235.08241	2.7
236.08527	0.4
240.19244	0.2
247.13441	0.3
253.09283	8.1
254.09708	0.6
369.89505	0.2
375.21658	0.8
393.22806	0.5
405.17780	0.2
437.20413	0.8
438.20380	0.2
445.20822	2.5
446.21237	0.3
463.21548	0.3
593.29266	0.2
611.30042	0.4
629.31921	2.3
631.33862	0.2
637.32605	0.4
655.33423	0.6
691.35907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26157	0.1
53.40628	0.1
55.01889	0.2
57.03437	0.3
58.00588	0.4
59.01378	3.7
61.98832	9.3
69.03449	0.2
69.46974	1.6
71.01395	2.6
71.01762	0.3
71.05027	0.2
72.99316	0.2
73.02936	0.9
75.00897	0.3
76.81668	0.2
78.95911	0.2
79.60182	0.1
80.02685	1.1
81.03463	1.3
83.01395	0.5
83.05032	4.4
84.02168	0.7
85.02958	0.9
87.00905	0.6
87.04577	0.2
88.98804	0.4
89.02457	1.7
93.03474	0.3
95.01392	0.4
95.02718	0.2
95.05052	0.7
96.96040	0.2
97.06616	0.2
99.04554	0.2
101.02460	2.7
106.04232	0.2
109.06613	0.4
111.00871	0.2
111.08166	0.2
111.58096	0.2
113.02480	1.4
116.92885	0.4
119.03502	0.6
121.03008	0.2
122.03870	0.2
123.00900	0.3
125.02459	1.0
125.06105	0.5
125.09749	1.0
127.07712	0.2
127.11300	1.5
131.03513	0.3
132.77264	0.1
133.05067	0.2
134.06136	0.4
135.08173	0.5
137.02509	0.3
143.03557	0.4
145.05019	0.3
147.11789	0.3
150.03220	0.2
150.75928	0.2
151.00357	0.4
151.04012	0.3
155.10779	0.6
161.04590	0.8
162.98969	0.2
163.00392	0.2
163.11298	3.3
165.09230	0.5
165.12862	2.3
169.01451	0.8
169.30777	0.1
171.10294	2.1
172.10637	0.5
177.02020	0.2
179.05681	0.4
181.12401	0.4
183.10284	0.3
185.11888	0.3
191.10864	0.8
199.09828	0.4
199.13400	0.4
201.11337	24.1
202.11658	1.5
207.10286	0.3
209.11838	100.0
210.12167	7.7
211.12393	0.2
225.11302	0.6
226.11629	0.3
227.12898	15.3
228.13231	1.1
235.08208	2.3
236.08578	0.3
247.13422	0.3
253.09277	8.6
254.09688	0.3
349.48810	0.2
375.21872	0.4
393.22855	0.6
401.23538	0.2
405.17935	0.2
411.23227	0.2
419.19040	0.3
437.20386	1.2
445.20715	2.2
446.21075	0.4
455.66833	0.2
463.21820	0.4
469.29443	0.5
590.70569	0.2
611.30548	0.4
629.32001	1.3
631.33655	0.4
637.32532	0.5
655.32806	0.4
659.23914	0.9
660.24841	0.2
691.34906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03440	0.8
58.00588	0.9
59.01382	15.5
60.01705	0.2
61.93860	0.2
61.98507	0.4
61.98833	8.4
69.03454	0.9
71.01387	19.7
71.04991	0.2
72.01746	0.3
72.44390	0.2
72.99300	0.6
73.02953	2.2
75.00868	0.5
78.95903	0.8
80.96527	0.2
81.03457	0.6
83.01386	1.2
83.05026	0.7
85.02954	3.0
86.00104	0.2
87.00884	3.1
87.17425	0.2
88.98806	1.1
89.02454	11.9
90.57841	0.2
91.04021	0.2
95.01396	0.9
95.05030	0.3
96.96008	0.2
97.02956	1.8
97.06599	0.5
98.20614	0.5
99.00889	0.8
99.04491	0.2
101.02456	9.6
102.02785	0.3
109.02940	0.4
109.06625	0.2
111.00883	1.1
111.04520	0.4
111.08166	0.6
113.02459	4.8
113.09747	0.3
115.04075	0.3
119.02737	0.3
119.03525	3.1
123.08167	0.2
125.01608	0.3
125.02466	3.8
125.09737	0.5
131.03500	0.9
139.04008	0.4
141.01930	0.4
141.09206	0.3
143.03508	1.6
149.04532	0.3
151.11417	0.2
161.04599	2.6
163.11292	0.6
165.05519	0.3
165.12846	0.8
167.10841	0.5
169.12410	0.3
171.08958	0.3
171.10307	4.5
172.10655	0.3
179.05637	2.5
179.14406	0.5
181.12334	0.5
183.10400	0.2
183.13922	4.9
184.14233	0.4
185.11809	1.1
195.13911	7.5
196.14471	0.6
197.11845	0.6
199.09805	0.4
199.13492	1.1
201.11438	1.0
205.12315	0.6
205.15872	0.3
207.10249	0.9
209.11864	4.8
210.12143	0.8
211.13409	6.6
212.13817	0.4
217.07091	0.3
221.06624	0.7
223.13387	5.3
224.13913	0.3
225.11325	0.8
226.11671	0.2
227.12950	1.8
228.13577	0.8
235.08214	3.4
253.09265	2.5
254.09612	0.3
256.13202	0.6
263.07730	0.7
265.21655	0.5
275.20132	3.8
276.20346	0.5
287.07669	0.7
293.21216	100.0
294.21558	9.3
294.24942	0.2
305.08789	0.6
323.09805	0.5
337.23764	0.3
397.13510	24.0
398.13916	2.1
415.14578	26.7
416.14999	2.5
436.50201	0.3
463.21631	0.5
631.36072	0.2
637.32489	0.3
654.27472	0.5
655.34137	0.5
673.34509	6.3
674.34674	1.4
691.35083	2.3
692.35852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03452	2.3
57.95482	0.4
59.01376	8.7
61.98828	16.4
69.03450	0.5
71.01383	9.0
71.05000	0.5
72.99294	1.0
73.02941	1.4
78.95901	1.4
80.02692	1.3
81.03463	1.1
83.01379	1.6
83.05024	4.9
84.02165	0.7
85.02958	2.1
87.00880	1.6
87.04497	0.5
88.98799	1.2
89.02456	4.7
95.01379	0.9
95.05023	1.7
96.96011	0.6
97.02972	0.6
97.06609	5.4
98.19839	1.0
99.00869	0.8
99.44960	0.4
101.02447	5.3
103.04019	0.4
105.20316	0.4
109.06594	0.8
111.00881	0.8
111.08208	0.5
113.02457	2.9
116.92873	0.9
119.03503	1.2
125.02495	0.9
125.06086	0.7
125.09749	0.7
135.08156	0.7
143.03476	0.6
145.05081	1.0
149.09673	0.7
151.11302	15.4
152.11626	1.2
161.04575	2.0
163.11296	4.5
165.12811	3.0
169.12349	67.4
170.12704	3.4
171.10248	2.9
179.05679	0.7
181.12364	0.7
183.13905	6.4
184.14293	0.4
185.11836	1.9
191.05603	3.6
191.10736	0.6
194.37766	0.4
195.10275	1.5
197.11906	1.0
199.09824	0.4
199.13425	1.9
201.11368	0.7
207.10258	1.6
209.11829	60.9
210.12164	5.1
211.13454	4.1
212.13748	0.5
213.11293	8.3
225.11270	1.7
227.12872	7.6
228.13185	0.5
229.14377	0.7
235.08205	1.3
253.09251	3.8
293.20996	0.5
337.24057	0.7
390.46194	0.4
401.23340	1.2
423.29285	0.5
431.19162	1.4
449.20325	3.9
463.21500	0.6
469.29630	1.4
517.31519	0.7
609.33569	0.5
631.36493	0.9
637.32391	3.6
638.32263	1.1
641.31726	1.4
655.33929	1.9
656.33563	0.6
659.32898	100.0
660.33228	23.7
673.34601	5.9
674.34528	0.8
691.35400	12.3
692.35895	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.1
61.98835	61.4
71.01390	10.5
71.75108	3.4
78.95920	10.0
83.05016	2.6
89.02458	3.4
109.06612	2.5
135.27991	1.7
146.25928	2.0
152.99614	4.8
163.11308	3.9
171.10229	3.6
182.61421	2.1
183.13922	3.1
201.11345	1.8
207.10260	4.4
209.11839	100.0
210.12138	11.4
211.13437	13.1
225.11229	4.5
227.12933	13.2
235.08231	3.9
253.09232	7.0
401.23273	2.9
445.20871	7.3
454.26886	2.1
521.54419	2.3
635.42358	1.9
637.32263	8.5
655.33044	4.5
659.35712	2.7
673.33990	3.0
691.30841	21.9
692.32153	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	691.3568
Annotation	Cherimolacyclopeptide C
Peak:m/z	Relative Intensity
55.01866	1.0
57.03446	1.2
58.00595	1.2
59.01377	9.7
61.98507	0.9
61.98832	18.5
62.40703	0.5
69.56304	4.1
71.01387	7.6
72.99309	0.9
73.02959	2.1
75.00886	0.6
80.02711	0.9
81.03476	1.1
83.01369	0.9
83.05038	3.7
84.02178	0.9
85.02962	3.5
85.99059	0.4
87.00890	2.1
88.98843	0.7
89.02460	5.1
95.01403	0.6
95.05063	1.0
97.02956	1.0
97.06603	1.3
99.00916	0.7
101.02464	7.0
109.06610	0.7
111.08206	1.0
113.02451	4.0
118.32229	0.5
119.03495	0.5
124.01685	0.5
125.02463	0.9
125.09714	2.5
127.11333	3.0
133.05127	0.6
135.08174	1.3
137.02458	0.7
137.09741	1.1
143.03513	0.7
145.05086	1.0
150.03285	0.6
151.11365	1.5
155.10823	1.4
161.04562	2.1
163.11301	2.6
165.05533	0.5
165.09222	1.1
165.12863	12.0
166.13214	0.6
169.01407	0.6
169.12375	2.6
171.10338	2.3
179.05627	0.6
181.12302	0.7
183.13924	100.0
184.14265	7.8
185.11826	1.3
191.10901	0.7
198.12257	0.5
199.09834	1.3
199.13426	0.6
199.62238	0.5
201.11349	45.9
202.11661	2.9
207.10257	0.9
209.11845	59.7
210.12167	4.0
211.13478	1.1
213.11206	0.9
225.11336	1.3
227.12897	10.8
228.13255	0.9
235.08305	2.6
243.12398	0.7
253.09280	7.5
297.70892	0.5
337.23734	0.8
364.16263	0.5
383.91040	0.5
393.27072	0.5
397.22031	0.5
419.23105	0.9
445.20877	1.6
463.21921	2.9
629.32019	0.6
637.32684	1.2
647.32953	31.7
648.33307	6.3
655.33435	1.9
659.32916	1.4
673.34619	60.9
674.35004	15.9
691.35663	32.8
692.35883	9.2
710.47186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53951	1.0
59.01361	3.3
61.98832	31.1
71.01389	3.7
71.06267	3.9
78.95918	16.2
87.00901	1.3
87.62720	1.2
88.98819	1.6
89.02447	1.2
96.96964	2.3
152.99612	7.8
155.20514	1.1
171.10269	2.2
207.10185	1.8
209.11842	100.0
210.12163	8.0
211.13483	2.0
225.11298	2.1
227.12886	9.0
228.13435	1.3
235.08153	7.5
253.09282	4.5
293.21124	2.2
445.20819	8.2
567.43140	1.3
618.05792	1.4
647.21106	1.3
673.33575	2.7
691.30963	18.6
692.31641	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	691.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.8
59.56533	1.2
61.24839	1.2
61.98833	48.2
66.86881	1.1
69.03474	1.8
71.01376	9.3
73.02960	2.1
78.95906	11.6
82.09913	1.2
83.05029	1.9
84.05345	1.2
85.02959	2.4
87.00899	1.8
88.98813	4.5
89.02465	4.3
96.96027	2.6
97.02963	1.3
97.06579	1.7
98.20618	3.5
99.90990	1.4
101.02451	5.4
109.06602	3.6
113.02449	3.0
152.99577	5.0
161.04543	1.7
163.11317	3.1
165.12886	6.0
166.13187	3.6
171.10332	1.7
183.13918	62.9
184.14258	31.1
185.14497	10.2
193.12270	2.8
201.11388	1.3
207.10292	13.6
209.11876	9.8
210.12146	3.4
211.13423	83.4
212.11829	2.5
212.13741	39.5
213.13966	14.5
224.69188	1.6
225.11375	8.3
227.12839	5.7
235.08302	2.8
253.09178	6.6
254.09383	1.3
255.09671	2.3
321.78030	1.4
383.22113	2.6
401.23328	2.9
447.21878	4.3
539.97516	1.3
609.32715	1.7
619.31549	2.1
631.38397	2.1
637.32434	17.0
637.41888	2.2
638.32629	3.3
655.33350	14.2
656.33691	3.1
657.34308	1.7
658.35229	12.6
659.35620	100.0
660.35779	9.4
673.33722	3.5
691.37738	13.6
692.38397	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.2
57.72581	0.2
58.83955	0.2
59.01374	2.1
62.15895	0.2
67.01886	0.4
68.99825	0.2
69.03455	0.8
69.88760	1.3
71.01390	1.9
72.99316	0.2
73.02515	0.2
73.02944	0.5
74.99110	0.8
80.02692	0.4
81.03465	3.1
83.01395	2.4
83.05042	0.3
85.02967	2.2
87.00886	0.6
89.02461	1.6
91.05459	0.2
93.03478	3.4
95.01395	1.1
95.05042	2.7
95.06829	0.2
96.95995	0.3
97.02960	5.6
98.22678	0.2
99.00902	0.2
101.02460	1.5
105.03441	0.4
107.01500	0.2
107.05037	0.6
108.02195	1.9
109.02966	24.3
110.03297	0.7
111.00919	0.3
111.04540	0.9
113.02494	1.2
115.00399	0.4
119.03534	0.7
119.05028	0.5
120.05326	0.2
121.02976	3.5
122.03783	0.8
123.00897	0.9
123.04543	15.2
124.01675	0.4
124.04904	0.5
125.02463	17.6
126.02769	0.7
127.04015	0.5
133.01494	0.3
133.02948	0.5
135.04527	2.7
136.99100	0.5
137.02472	9.3
138.03217	0.9
139.04054	2.6
143.03497	0.3
143.05006	0.3
144.01469	0.2
145.02998	1.4
146.03749	1.2
147.04549	0.6
149.02458	3.5
149.33992	0.3
150.03207	1.7
151.04030	8.7
151.07664	0.6
152.01176	0.8
152.04398	0.4
153.01894	0.6
154.02711	0.3
158.03690	0.4
159.03148	0.3
159.04526	3.1
160.05261	1.3
161.02449	1.7
161.04578	1.4
161.06090	4.9
162.03259	1.8
162.06432	0.5
163.04031	1.9
163.07597	0.4
164.01173	2.7
165.01936	4.1
166.02725	0.6
167.03519	1.8
169.01398	1.5
173.02380	0.3
173.04572	2.1
173.06114	1.1
174.03247	0.6
175.04021	2.5
175.07645	1.9
177.01909	0.6
177.05586	0.6
179.02032	0.5
179.03510	6.4
179.05254	0.4
179.05685	0.4
179.10754	0.4
180.04001	0.4
184.05153	0.4
185.06113	0.9
187.04024	4.8
188.03596	0.3
188.04837	3.5
189.01888	0.3
191.05623	11.2
192.06026	0.6
199.07684	0.8
201.01855	0.3
201.05579	1.3
202.06377	2.0
203.03511	0.7
203.07144	12.3
203.10820	2.4
204.07495	1.1
205.03241	0.5
205.05078	7.3
206.05362	0.4
212.04758	0.6
217.05093	0.5
217.08685	0.7
221.08308	2.8
221.11775	4.9
225.05626	0.3
226.06329	0.5
227.07120	3.0
229.01373	0.3
230.05806	0.7
231.02930	1.2
243.03000	0.3
245.00960	0.5
245.08176	17.0
246.08519	1.3
247.06088	1.0
249.04030	0.7
255.10268	2.8
259.06097	0.3
271.05984	0.9
274.01102	0.4
275.02045	0.9
279.98621	0.3
281.08264	0.3
287.05554	0.9
289.07175	100.0
290.04248	0.5
290.07501	9.8
299.99149	0.4
300.99863	2.8
302.00146	0.4
315.07202	0.6
343.08185	1.2
353.08777	0.5
383.17029	0.5
399.81546	0.3
401.18356	0.6
423.09164	0.5
467.02765	0.5
467.08469	3.4
468.08661	0.7
493.00266	0.3
517.13708	1.7
518.14258	0.5
691.18738	4.2
692.19641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28811	0.5
51.02350	0.5
57.38372	0.4
59.01377	3.7
61.04857	0.5
61.98824	1.7
63.96247	0.5
65.00313	1.3
66.00716	0.5
67.01900	3.0
68.97580	0.5
68.99821	0.9
69.03442	0.9
71.01380	4.2
72.99309	2.3
73.02931	1.0
73.98318	0.5
74.99106	9.9
75.00877	0.6
79.01897	2.7
83.01378	2.8
85.02943	1.6
87.00861	2.0
89.02431	0.9
93.03473	0.8
95.01404	6.1
96.96017	0.7
97.02948	1.9
99.00880	0.7
101.02454	1.8
107.01396	5.6
108.02177	2.0
109.02937	1.2
110.00134	1.2
111.00896	9.0
113.02441	2.1
119.05031	0.8
121.02942	1.1
122.03747	2.0
123.00899	33.2
123.04522	2.7
124.01787	2.8
124.98788	0.6
125.02460	25.8
126.02802	0.7
127.00401	3.2
134.03783	1.0
135.04510	0.6
135.98334	0.6
136.99101	11.7
137.02496	2.7
137.99419	0.6
139.00394	12.5
139.04012	1.2
140.01172	14.7
141.01981	3.7
145.03021	0.8
146.03741	0.5
149.02463	4.2
149.06099	0.9
150.03246	14.9
151.00409	8.4
151.04037	2.6
152.01216	0.5
153.01959	1.3
154.99873	0.8
161.06055	0.7
163.04004	0.9
164.04839	1.2
165.01941	0.8
165.05576	10.0
166.06186	1.6
166.99873	9.6
167.03473	0.9
167.07146	0.8
167.99191	0.6
168.00662	27.5
169.01437	42.9
170.01749	2.2
177.04048	5.1
179.03467	0.6
179.06982	0.6
180.04251	1.4
181.01418	1.1
181.08762	1.4
182.02203	1.6
183.02969	4.9
195.02905	0.5
195.06677	1.3
197.04610	0.7
210.01694	0.8
211.02483	13.0
212.02779	0.8
225.04070	3.6
241.03526	1.4
271.04535	6.4
285.06439	2.3
297.06262	1.6
313.05634	1.6
315.08932	0.6
315.12524	0.6
329.05130	4.2
329.12543	1.4
331.06656	3.5
343.14090	0.5
345.13562	1.9
393.20853	0.6
491.19263	0.8
493.13464	3.0
494.14249	23.2
495.14691	8.4
509.16833	2.7
539.21045	0.6
549.16071	6.4
550.16797	1.1
566.22742	0.5
567.16412	0.7
629.19446	0.8
643.20563	7.0
644.20819	1.2
655.20544	3.4
673.21606	22.9
674.21960	5.2
690.35016	0.5
691.22723	100.0
691.35089	6.2
692.23138	23.4
692.35553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43417	0.2
59.01376	3.3
61.98832	1.0
67.01884	0.3
69.03461	0.2
69.47462	1.7
69.65736	0.2
71.01389	1.9
72.99317	0.4
74.99104	0.4
79.01891	0.2
79.47581	0.2
83.01414	0.5
87.00893	0.4
89.02449	1.1
95.01407	0.4
101.02434	0.5
107.01395	2.1
109.02975	0.5
110.00102	0.5
111.00903	1.5
113.02462	0.4
119.03516	0.3
121.02969	0.3
123.00883	1.8
124.01638	1.4
125.02467	18.0
126.02793	1.0
127.00386	0.4
136.98904	0.9
137.02509	0.4
139.00409	1.6
139.04016	0.6
140.01173	2.5
149.02489	1.5
151.00362	1.3
153.01974	0.5
154.99904	0.3
165.01942	0.6
167.03505	1.5
167.07277	0.3
168.00664	12.2
169.01447	26.2
170.01813	1.0
176.50949	0.2
181.01408	0.4
183.03044	0.5
211.02496	51.8
212.02824	2.9
228.99318	0.2
241.03528	0.9
271.04581	100.0
272.04932	6.4
281.57513	0.2
305.55600	0.2
314.11465	0.3
331.06708	43.6
332.07016	3.9
349.29272	0.2
350.07355	0.2
419.34970	0.3
542.23981	0.2
691.22479	1.4
691.35614	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	691.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95724	0.4
57.03455	0.5
59.01379	2.3
59.96267	0.4
61.98827	2.6
67.01903	1.2
67.03475	0.4
69.03457	1.6
70.98513	0.7
71.01382	5.1
72.99317	1.0
73.02956	0.6
74.99095	0.7
79.01905	0.9
81.03493	0.5
83.01400	1.3
85.02952	1.1
87.00877	0.9
88.66797	0.4
89.02454	0.9
93.03493	0.7
95.01393	2.3
97.02968	1.5
101.02454	3.1
107.01409	10.5
109.02967	0.8
110.00114	0.5
111.00875	2.9
113.02467	1.8
121.02962	3.5
122.03768	1.0
123.00903	13.5
123.04473	1.0
124.01680	1.3
125.02461	61.0
126.02819	2.5
127.00356	0.9
134.03706	0.4
135.04570	0.9
136.01749	0.5
136.98914	1.3
137.02463	1.6
139.00394	3.1
139.04031	1.6
140.01195	3.5
141.01944	2.3
145.02937	0.5
146.03784	0.6
149.02448	9.0
149.06035	0.4
150.03249	8.6
151.00392	9.3
151.03999	3.0
152.00664	0.4
153.01953	1.1
161.02464	0.5
161.06058	0.5
162.03262	1.2
163.03995	0.7
164.04831	2.4
165.01942	1.1
165.05588	5.8
166.06361	6.6
166.99847	0.7
167.03578	0.6
167.07166	1.9
168.00659	5.7
169.01442	81.8
170.01772	3.9
173.00832	0.4
177.05595	0.7
178.02669	0.4
179.03514	0.5
179.05656	0.5
179.07086	0.7
180.04384	0.9
181.01430	0.4
181.05043	0.6
181.08730	2.0
183.03003	5.3
191.03584	0.4
191.05595	0.5
193.01439	0.8
195.02998	0.8
195.06656	1.6
207.02934	0.5
211.02451	2.0
223.02525	0.8
225.69806	0.5
241.03499	1.9
245.09331	0.7
253.03525	0.7
272.50204	0.4
297.06113	1.0
298.12283	0.4
300.99753	0.9
307.13992	1.2
313.05658	23.9
314.06137	1.8
314.11652	2.4
315.05743	0.5
315.12375	0.8
327.07315	1.5
329.13928	3.2
330.14389	0.6
399.04544	0.4
448.78424	0.4
489.17123	0.5
491.12207	0.5
493.13409	0.9
509.06192	0.7
509.13007	6.6
510.12973	1.0
581.72931	0.4
601.12036	0.4
691.22620	100.0
692.22986	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69506	0.2
56.09378	0.2
57.03463	0.3
59.01084	0.5
59.01377	5.3
61.98830	2.9
65.00354	0.3
67.01882	0.7
69.03471	1.8
69.50607	0.7
69.51034	1.9
71.01390	2.3
72.99328	0.6
73.02966	1.0
75.67519	0.2
79.01913	0.6
80.45895	0.3
81.03468	0.7
83.01418	0.3
85.02959	1.0
87.00908	0.8
89.02458	1.9
93.03508	0.3
95.01416	1.0
96.96058	0.4
97.02394	0.3
97.02942	1.5
98.20651	0.5
101.02485	1.6
103.04034	0.8
107.01405	13.5
108.01675	0.4
111.00916	2.1
113.02483	0.7
116.92875	0.3
119.03514	0.5
119.04979	0.3
120.99669	0.5
122.03781	0.4
122.06194	0.4
123.00901	3.6
123.04507	0.3
124.01686	0.9
125.02464	70.5
126.02820	2.1
127.00417	0.5
134.03760	2.4
135.04533	0.5
136.98906	0.5
137.02513	1.2
138.03238	1.0
139.00389	1.1
140.01210	1.0
141.01982	0.6
145.03001	0.6
146.03763	9.5
147.04468	0.4
149.02513	0.4
149.06076	2.2
150.03262	1.5
150.06752	0.4
151.00381	1.0
151.04048	2.6
152.07201	0.3
156.62283	0.3
161.04752	0.4
161.06111	3.9
162.03244	1.1
163.03969	0.8
163.06218	1.4
164.04823	6.2
165.05615	1.6
166.02594	0.4
166.99898	0.9
168.00653	2.1
169.01443	100.0
170.01782	4.4
170.12047	0.3
177.05602	2.5
179.07147	13.8
180.07468	0.7
181.04991	0.6
182.05812	1.6
183.02974	0.8
183.06638	1.6
194.40518	0.2
197.08238	1.2
197.41382	0.2
209.11826	0.4
211.02536	0.4
211.06104	2.0
225.07768	0.3
234.10916	0.3
271.05099	0.2
287.09323	0.3
317.06512	0.4
328.11652	4.5
329.12207	0.5
331.08212	0.5
332.09009	2.4
333.09790	0.5
341.12476	0.7
342.13461	0.3
343.14017	9.3
344.14337	0.9
347.07693	2.5
347.11227	0.4
353.64093	0.3
362.10144	0.4
369.15445	0.3
397.14987	1.9
479.14148	0.3
481.14865	0.9
493.14673	0.4
503.18936	0.5
511.16080	3.6
512.16455	0.6
521.20416	0.9
539.21228	3.0
540.21417	0.4
673.21765	1.1
673.34912	0.3
690.34985	0.4
691.22717	36.4
691.35321	8.3
692.23047	8.9
692.35974	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	689.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.3
57.03456	2.2
58.00581	0.9
59.01383	16.3
60.99323	1.0
61.98833	68.5
69.03480	1.6
71.01393	15.1
71.05041	2.6
72.99327	1.5
73.02974	3.0
80.02693	1.5
81.03493	2.1
82.95509	0.7
83.01414	1.6
83.05029	8.7
84.02178	1.7
85.02952	4.3
87.00897	3.3
88.98833	3.1
89.02453	7.0
95.01429	1.5
95.05061	2.6
96.96026	2.4
97.02967	4.4
97.06615	2.9
99.00889	11.6
99.04530	1.0
101.02465	8.8
107.01395	0.7
107.05068	1.0
108.02240	0.9
109.06609	6.7
110.03790	1.0
111.00869	1.3
111.08195	0.8
113.01788	0.8
113.02447	4.6
119.03535	1.4
123.00922	2.0
123.04604	1.3
123.08204	1.9
124.01680	1.1
125.02489	3.7
125.06119	0.8
125.09746	7.2
127.11312	1.8
131.03517	1.4
133.29973	0.8
135.08157	3.4
137.09714	0.8
139.07721	1.2
142.02760	0.9
145.05049	1.0
151.00368	1.2
153.05647	0.8
155.10873	1.9
161.04576	2.1
161.09721	1.1
161.99178	0.8
163.04085	1.3
163.11307	14.2
165.12881	3.3
169.01421	2.3
169.12399	0.9
171.10294	16.2
172.10669	1.5
179.03523	0.8
179.05681	1.5
179.07161	0.9
181.12375	14.5
182.12770	1.2
183.10304	1.7
183.13959	0.8
185.11891	2.2
189.09261	0.8
191.10756	1.0
195.06796	0.8
197.11919	3.0
199.09854	4.0
199.13422	14.4
201.11340	10.1
207.10292	31.1
208.10683	2.7
209.11853	100.0
210.12204	6.9
215.12866	0.8
225.11345	50.5
226.11697	3.0
227.03625	1.4
227.12901	16.8
228.13225	1.3
235.08235	3.3
243.12419	9.1
244.12630	0.8
253.09300	8.3
255.02957	3.3
284.03271	2.9
285.04031	3.6
287.09131	1.2
293.13968	1.0
317.10513	0.9
335.22409	1.5
417.22903	1.7
443.19193	1.5
445.21005	1.5
461.20227	7.4
462.20590	1.2
467.33612	0.9
475.29208	1.7
479.21393	2.8
609.29590	1.0
611.37720	1.0
627.30060	4.3
629.39563	1.3
635.30627	2.9
645.31287	2.9
653.31500	5.2
654.31860	1.6
657.21753	3.0
658.22302	1.0
671.32678	8.9
672.33069	2.3
689.34033	85.3
690.34479	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	689.341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.4
57.03436	1.1
57.22314	0.3
58.00594	1.0
59.01379	7.0
61.98830	18.1
68.99817	0.4
69.03453	0.9
69.71596	2.7
71.01385	59.6
71.05024	0.5
72.01723	1.2
73.02950	3.5
78.95911	10.3
80.02692	1.5
81.03469	2.6
83.01395	1.5
83.05025	7.2
84.02180	1.6
85.02962	2.6
87.00892	1.7
89.02435	3.4
93.03511	0.6
95.01400	0.4
95.05020	1.7
96.96947	1.1
97.02946	2.5
97.06605	0.6
98.19823	0.4
99.00895	2.5
99.04558	0.5
101.02447	4.4
106.04306	0.4
109.06602	9.1
110.03747	0.7
111.00903	0.6
111.04517	0.8
113.02482	2.7
120.99171	0.4
121.06644	0.5
123.04497	0.4
123.08182	0.9
125.02458	0.6
125.06093	0.8
125.09737	2.7
127.11305	1.8
134.98546	0.4
135.08171	1.8
136.05339	0.6
137.09724	0.7
139.07693	0.7
141.01923	0.4
142.02759	0.7
142.83897	0.3
143.03526	1.0
145.05109	0.5
145.10254	0.5
149.09689	0.4
152.99614	5.5
153.09200	0.4
153.12852	1.0
155.10797	1.6
161.04552	1.4
161.09764	1.0
163.11310	11.1
164.11610	0.8
165.09265	0.7
165.12880	3.2
167.10742	0.5
169.12343	0.8
171.10287	30.7
172.10648	1.6
179.10756	1.3
181.12387	4.1
183.13902	0.7
185.11913	2.5
187.09877	0.4
189.09221	1.3
191.10843	0.7
197.11852	1.4
199.09740	1.4
199.13405	2.2
201.11327	14.1
202.11682	0.4
205.12288	0.4
207.08258	0.9
207.10277	26.2
208.10612	2.4
209.11839	100.0
210.12201	6.9
211.13412	1.3
215.12859	1.5
221.11813	0.7
223.13351	1.0
225.11330	30.6
226.11562	2.3
227.12898	11.4
227.15071	0.8
228.13196	0.5
235.08177	3.6
243.12343	2.5
249.11536	0.4
251.12909	1.7
253.09277	8.6
254.09563	0.9
259.39581	0.4
263.12936	0.8
281.13968	0.5
293.21292	1.0
295.10355	0.6
355.22858	0.4
363.12091	1.2
395.14487	0.7
399.21735	1.4
407.19324	0.5
415.15033	0.4
417.22757	1.6
429.20227	0.7
435.23917	0.5
443.18951	1.3
461.20291	6.4
462.20428	0.7
463.20450	0.4
479.21268	0.7
635.30933	1.2
653.31573	2.7
654.32092	0.9
657.34192	2.8
658.34180	0.5
671.32910	3.2
672.33453	1.2
689.34326	8.9
690.35260	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	689.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.4
55.01873	0.4
55.54435	0.3
57.03438	0.7
58.00590	0.8
59.01384	7.7
61.98834	2.4
66.50525	0.3
69.03473	0.7
70.68821	1.1
70.69178	0.4
71.01385	57.4
71.05021	0.8
72.01726	1.3
72.99327	0.8
73.02957	3.5
76.36353	0.3
80.02685	1.3
81.03472	2.0
83.01392	1.7
83.05031	5.9
84.02184	1.4
85.02953	2.6
87.00886	2.4
88.98800	0.5
89.02448	2.5
93.03454	0.7
95.01352	0.5
95.05029	2.2
96.26271	0.3
97.02979	2.8
97.06598	1.2
99.00897	1.5
101.02451	4.2
109.02913	0.5
109.06607	7.6
110.03745	1.0
110.06932	0.4
111.00923	0.4
111.04506	0.5
111.08187	0.6
113.02464	2.7
119.03525	0.9
121.06579	0.7
123.08185	0.8
125.02431	0.4
125.06059	0.8
125.09719	2.3
127.11300	1.4
131.75729	0.3
135.08209	2.1
136.05353	0.6
137.09734	0.4
139.07692	0.9
139.26897	0.4
142.02757	0.4
143.03534	0.6
145.05070	1.0
145.10265	0.7
147.11748	0.4
149.09761	0.7
151.11261	0.4
153.09215	0.8
155.10831	0.9
161.04581	2.0
161.05785	0.4
161.09731	0.8
163.10004	0.6
163.11322	9.7
164.11641	0.8
165.09221	0.6
165.12866	2.6
167.10735	0.6
169.12299	0.4
171.10286	30.7
172.10654	1.6
177.44063	0.3
179.05600	0.8
179.10829	1.1
181.12367	4.0
183.10251	0.5
183.13901	0.8
185.11812	2.1
189.09209	0.9
191.10789	1.0
197.11880	1.7
199.09758	1.1
199.13335	0.9
201.11325	14.1
202.11742	1.0
207.10275	22.0
208.10619	1.6
209.11838	100.0
210.12172	7.9
215.12885	1.7
223.13477	0.5
225.11328	28.6
226.11690	1.8
227.12907	11.2
228.13181	0.9
233.11940	0.5
235.08215	3.8
235.13292	0.4
243.12357	2.1
245.11842	0.4
251.12865	1.2
253.09290	9.8
263.12885	0.6
283.25696	0.4
295.10336	0.7
299.14877	0.4
309.05087	0.3
335.22263	0.4
373.23923	0.4
375.21796	0.4
389.23663	0.4
399.21774	1.4
417.22891	1.9
435.24249	0.5
443.19180	1.2
445.20712	1.0
461.20294	5.6
462.20636	1.0
479.21637	0.6
487.21933	0.6
635.30664	1.3
653.31714	3.1
654.32001	0.8
671.32880	4.0
672.33392	1.4
689.33710	5.4
690.34918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03455	4.4
58.00597	2.7
59.01378	40.0
60.01714	0.9
60.99287	0.8
61.98829	63.9
69.03465	2.8
69.35706	9.3
71.01384	69.8
72.01715	0.9
72.99314	3.4
73.02954	7.3
75.00863	1.6
77.36873	0.8
78.95901	5.3
80.02687	1.6
81.03448	3.8
83.01382	4.2
83.05036	8.8
84.02161	1.1
85.02954	9.2
87.00881	9.0
88.98817	2.1
89.02454	26.3
93.03474	1.7
95.01396	2.5
95.05019	3.9
97.02946	8.0
97.06613	2.7
99.00901	4.5
99.04533	1.3
101.02452	22.3
107.05073	1.2
109.02971	1.1
109.06598	22.6
110.03761	1.1
110.06934	1.1
111.00870	1.5
111.04528	1.0
111.08169	10.6
113.02460	11.8
116.92874	0.8
119.03539	5.5
121.02989	1.1
121.06595	1.8
125.02448	6.9
125.06107	1.5
125.09734	2.9
127.11285	1.5
131.03510	1.0
133.05086	1.1
135.08182	3.3
137.09738	1.3
141.01945	1.3
142.02773	1.8
142.90324	0.8
143.03535	2.9
145.05031	2.3
149.09695	1.9
152.99586	1.5
153.12856	1.0
155.10751	1.2
159.02919	0.9
161.04558	6.4
161.09723	2.9
163.11314	16.5
164.11639	1.0
165.09445	0.9
165.12883	8.5
167.10785	2.4
169.12392	1.8
171.10295	26.4
172.10631	1.6
172.68784	0.8
177.09267	1.0
177.12947	2.2
179.05597	4.8
179.10776	3.2
181.12340	5.8
183.13919	45.5
184.14301	3.8
185.11829	2.7
189.09303	1.3
191.10812	1.4
195.13959	6.1
197.11829	4.7
199.09727	2.6
199.13380	2.2
201.11302	9.0
202.11623	1.0
207.10271	47.0
208.10616	3.7
209.11836	93.7
210.12143	8.5
211.13429	24.4
212.13791	1.4
215.12860	2.2
221.06706	1.7
221.11969	1.6
225.11319	35.4
226.11697	3.0
227.12918	19.5
228.13153	1.4
229.14391	1.3
235.08212	9.8
236.08725	1.0
241.14536	0.8
243.12193	1.1
247.20689	3.3
249.15103	0.9
251.12823	1.2
253.09264	16.4
254.09697	1.3
291.19638	100.0
292.19983	10.2
295.10510	1.0
305.08798	1.6
323.09885	0.9
329.24808	1.7
355.22803	1.1
363.11914	0.9
373.23889	4.5
391.24887	3.7
397.13516	43.2
398.13739	5.1
399.21274	1.3
401.98871	0.8
415.14517	24.1
416.14996	1.7
417.67258	0.9
443.19733	1.1
445.20636	2.8
447.22360	1.3
461.20267	9.4
462.20508	1.7
463.21774	4.3
469.00366	0.9
565.34290	1.0
611.38300	1.4
627.34045	2.3
629.34723	3.2
653.32300	4.4
657.32367	1.5
671.32764	15.9
672.33063	4.0
689.33270	13.4
690.33789	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	688.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60881	0.1
53.84388	0.1
57.03465	0.2
59.01381	0.8
61.98832	100.0
62.98540	0.2
65.88883	0.1
71.01388	2.2
71.73002	0.2
72.27242	0.1
78.95911	8.1
80.96537	0.3
81.03472	0.3
83.05061	0.3
85.02964	0.2
89.02463	0.2
95.05069	0.2
96.96986	0.6
97.02983	0.2
97.06668	0.1
99.00883	0.2
101.02491	0.3
109.06631	0.7
113.02522	0.2
125.02513	0.1
125.09762	0.3
127.11278	0.2
151.11444	0.1
152.99609	3.8
157.68724	0.2
163.11281	0.7
165.12901	0.3
165.88176	0.1
166.84108	0.2
169.12221	0.2
171.10277	1.7
181.12399	0.3
183.13951	0.3
185.11961	0.2
186.88326	0.1
197.11850	1.1
198.12158	0.2
198.16373	0.2
199.13443	0.2
201.11345	0.7
207.10283	1.1
209.09837	0.4
209.11833	6.5
210.12360	0.4
211.13432	1.5
212.13766	0.4
225.11340	1.8
227.12846	1.2
235.08244	0.2
245.18987	0.2
253.09344	0.5
289.18161	0.3
291.19812	0.5
307.19351	0.2
309.20795	0.2
361.10913	0.3
363.12186	0.4
379.11899	0.2
443.19040	0.7
461.19946	0.4
498.97754	0.2
543.39990	0.2
603.25903	0.2
604.27692	0.2
653.31561	0.3
670.32361	0.2
671.32166	0.8
688.33411	0.5
689.33630	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	687.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
57.03455	3.8
57.07163	0.7
58.00587	0.9
58.94932	0.7
59.01381	100.0
60.01713	1.5
61.98832	51.5
69.03449	5.2
69.51703	2.7
69.52121	4.9
71.01388	23.6
71.05025	2.3
72.99335	2.1
73.02940	6.1
75.00881	2.9
80.02689	1.3
81.03471	1.8
83.01402	4.4
83.05027	6.0
83.06474	0.9
84.02197	1.1
85.02963	9.2
87.00879	3.7
88.98813	2.3
89.02464	8.8
93.03502	1.4
95.01389	3.0
95.05035	1.8
97.02964	1.9
97.06607	2.2
99.00883	3.6
99.04552	1.8
99.10856	0.8
101.02456	11.4
103.04028	0.9
109.02975	1.2
109.06608	3.3
111.04523	0.9
113.02473	9.8
115.04074	0.9
116.92937	1.0
119.03492	2.4
121.02937	0.9
121.06593	1.1
123.00855	1.0
123.08178	1.2
125.02460	3.0
125.06030	1.3
125.09725	3.6
131.03496	1.5
135.04475	0.9
135.08211	2.0
137.02443	1.2
143.03514	1.9
149.02565	0.8
149.09776	1.2
151.00352	0.9
151.07660	1.6
151.11290	4.3
153.12863	2.7
159.03067	0.9
161.04559	4.6
161.09697	4.8
163.06238	0.9
163.11316	6.4
164.04799	0.9
165.05563	1.1
165.12920	4.5
168.00565	1.0
169.01482	1.6
169.12355	1.8
171.10272	6.2
175.02441	0.8
179.05646	1.1
179.07056	1.3
179.10805	9.9
181.12338	3.1
183.13965	0.9
189.12968	1.2
191.10744	1.1
197.11839	76.0
198.12172	5.2
199.13411	1.8
205.08716	1.5
207.10274	7.7
207.13809	1.3
208.10620	0.9
209.11844	82.2
210.12192	5.2
211.02406	1.0
211.13423	1.4
223.09875	4.6
224.14996	0.9
225.11354	8.8
225.14856	3.9
226.15395	0.9
227.12900	34.3
228.13205	2.0
235.08209	2.1
241.10834	4.5
241.14447	1.0
243.12349	1.5
253.09247	3.8
269.13971	1.4
270.98877	1.2
285.03787	0.9
287.15164	1.2
298.98303	1.7
299.99121	12.1
300.99731	1.9
307.10303	1.6
315.01419	13.4
319.22781	57.7
320.23163	6.6
338.71783	0.8
459.18991	1.7
459.25085	1.0
461.20334	1.5
477.19861	3.3
525.26764	1.2
564.68036	0.9
624.20264	1.0
627.33734	5.7
628.34399	0.9
651.29895	1.8
669.30853	3.6
669.39081	3.8
687.32159	87.4
687.40607	65.9
688.32477	22.7
688.40912	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3983
Annotation	Incarvillateine D
Peak:m/z	Relative Intensity
57.03449	0.7
58.31680	0.3
59.01376	2.4
61.98831	5.3
69.36697	3.7
71.01385	1.3
73.02930	0.5
82.34641	0.3
83.01383	0.3
83.05025	0.3
85.02960	1.0
87.00896	0.8
89.02465	1.0
91.92319	0.3
95.01424	0.4
96.95485	0.3
97.06593	0.7
98.10785	0.3
98.20562	0.7
101.02444	0.7
106.72494	0.3
108.02197	0.5
109.02959	0.4
109.06601	0.9
111.08181	0.3
113.02490	0.6
113.06082	0.4
116.92885	2.4
121.02998	0.7
122.03756	0.6
123.00838	0.3
123.04564	0.6
123.08160	0.5
124.01643	0.4
125.02463	3.3
135.08203	1.1
136.05351	0.5
137.02493	0.4
137.09703	0.4
139.00346	0.3
143.10797	0.4
145.06714	0.4
146.07532	0.3
148.05284	0.5
149.02493	1.9
149.06099	3.7
149.99680	0.5
150.03265	4.2
150.06877	37.5
151.00380	0.9
151.07201	2.2
152.01172	0.3
153.09230	0.8
161.04285	0.3
161.09750	0.7
162.06856	0.3
163.07664	7.8
164.04800	0.4
164.08437	8.4
165.01987	0.4
165.05602	4.0
166.02695	0.6
167.03474	0.4
168.00594	1.8
169.01482	1.8
171.10274	0.5
176.08389	0.5
177.09238	0.9
178.09915	1.6
179.10788	18.1
180.11003	1.6
181.05136	0.7
195.06609	3.0
209.11862	0.5
227.12773	0.5
247.66644	0.4
257.14182	0.3
271.02417	0.4
299.01926	0.6
300.02472	0.7
301.20325	0.6
314.04410	0.5
315.05042	1.3
316.05533	0.9
343.24924	1.3
345.22830	4.4
346.23093	0.6
417.15314	0.4
438.79810	0.3
446.30209	0.8
448.32047	0.3
461.32941	0.5
462.33432	0.5
463.34219	0.4
464.31415	5.4
465.31644	0.9
478.32950	0.8
479.33685	8.0
479.40143	0.5
480.34109	1.3
491.19125	0.6
506.32462	1.8
507.32944	3.5
524.33429	2.6
525.34247	27.4
526.34619	5.6
565.20972	0.9
566.21521	0.3
624.14374	2.0
625.15363	0.5
639.25049	1.0
687.39929	100.0
688.40326	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.9
58.00586	0.9
59.01380	22.9
61.64250	0.5
61.98832	12.8
62.37558	0.5
67.01841	0.5
69.03445	0.9
69.43242	1.2
69.43639	4.8
71.01389	11.5
71.05016	0.9
72.99293	1.8
73.02956	3.8
75.00864	1.8
83.01384	1.5
83.05028	0.9
85.02953	2.9
87.00870	2.5
87.04514	1.0
88.98806	1.1
89.02454	13.7
93.03450	2.0
95.01382	1.6
95.05046	1.4
97.02953	0.7
97.06590	5.9
99.00922	0.8
99.04573	2.5
101.02455	5.8
107.01377	1.7
107.05040	1.3
108.02146	2.1
109.02953	2.4
109.06606	13.0
111.00901	1.0
111.04515	2.4
111.08141	2.1
113.02470	2.7
113.09708	0.7
116.92834	1.3
119.03442	0.8
119.05046	0.8
120.99666	1.1
121.02956	1.6
121.06618	1.2
122.03731	2.3
123.00907	4.6
123.04498	1.2
123.08182	14.9
124.01678	0.6
124.08511	1.1
125.02468	9.2
125.06051	1.3
125.09703	1.6
125.65874	0.5
127.07650	1.1
131.03569	1.0
133.02843	0.5
135.04561	1.3
135.08191	12.4
136.05319	12.1
136.08502	0.6
136.98909	0.6
137.02455	2.2
137.06078	0.7
137.09744	0.6
138.06891	6.2
139.00356	1.7
139.07625	0.6
140.01157	0.7
141.01988	0.7
141.09235	4.5
145.02937	1.5
145.05029	0.6
147.04497	1.6
148.05270	0.5
149.02458	3.2
149.04535	1.0
149.06154	2.9
149.99573	0.8
150.03252	8.6
150.06854	2.2
151.00394	2.6
151.03970	1.2
151.07634	1.6
152.01196	1.3
153.01889	1.3
153.09236	27.8
154.09598	1.2
159.08252	0.7
161.06084	0.6
162.03171	0.8
163.03979	1.8
163.07700	1.3
164.04796	1.7
164.08340	1.1
165.01959	1.0
165.04253	1.0
165.05580	8.6
165.09233	9.3
166.06294	0.6
166.09480	0.6
166.99934	0.8
167.03529	0.7
167.07185	1.2
168.00674	1.7
169.01436	9.9
173.08228	2.9
177.05542	0.8
177.09250	0.8
178.95415	0.5
179.03426	0.7
179.05592	0.6
179.07138	0.8
179.10825	1.0
181.08754	0.7
183.06589	1.0
183.10252	0.9
187.09769	31.4
188.10136	1.4
195.06653	6.4
197.08127	0.6
203.09225	1.4
207.10266	0.9
207.13977	0.9
209.11836	0.8
210.05534	0.5
211.02478	1.4
217.10823	80.7
218.05807	0.7
218.11121	5.4
225.14970	0.8
227.12856	4.5
236.06906	1.2
237.07669	1.5
251.09248	2.2
269.13721	0.8
271.04599	1.7
283.09879	0.7
284.10544	1.5
285.11200	0.7
287.15045	2.1
299.98996	2.5
300.99994	4.2
306.18140	1.4
307.19077	2.0
311.09372	2.3
312.09976	0.6
313.05670	1.4
313.13004	1.3
325.10703	1.2
326.11502	1.4
329.14053	1.2
336.19498	0.7
337.20203	10.3
338.20636	1.3
341.14044	4.3
345.13565	0.6
351.21838	1.3
352.39624	0.6
366.08148	0.5
373.13318	0.8
417.27170	0.6
489.19363	2.5
490.19574	1.1
499.21500	0.7
507.29855	2.4
515.21399	1.2
525.30798	1.2
535.18188	1.0
543.24493	1.2
571.21771	0.7
595.25916	0.7
639.25482	0.8
657.26563	0.6
669.34192	2.2
670.34595	0.7
687.36163	100.0
688.23480	1.7
688.36383	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	687.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74244	0.3
56.83657	0.3
57.03455	1.8
58.00603	0.4
59.01380	6.4
61.98835	5.5
67.01893	0.4
69.03468	0.5
69.69588	2.1
71.01395	3.7
71.05043	0.4
73.02960	0.8
74.47669	0.3
75.00873	1.1
81.03487	0.3
83.01422	0.4
83.05039	1.2
85.02969	1.2
87.00885	1.6
87.04549	0.6
89.02453	11.2
89.02984	0.6
93.03485	0.6
95.01407	0.7
95.05051	0.7
97.06609	3.7
99.04521	1.9
99.08276	0.3
100.98489	0.3
101.02489	1.3
107.01432	0.9
107.05042	0.7
108.02198	1.1
109.02975	1.1
109.06614	9.0
109.07346	0.6
111.00922	0.6
111.04527	1.6
111.08148	1.6
113.02482	1.0
116.92934	0.5
119.03545	0.3
119.05038	0.3
120.99704	0.4
121.06667	0.8
122.03745	0.8
123.00904	2.6
123.04581	0.7
123.08176	9.8
123.09091	0.5
124.01690	0.5
124.08519	0.5
125.02475	4.7
125.06141	0.6
125.09787	1.3
126.02776	0.4
127.07693	0.8
133.63188	0.3
135.04562	1.1
135.08192	7.9
136.05322	19.1
136.98956	0.4
137.02495	0.6
137.06053	1.2
137.09694	0.4
138.06888	3.4
139.00433	0.7
139.04105	0.3
139.07675	0.9
140.01147	0.6
141.09236	3.6
145.02965	0.4
147.08202	0.7
148.05328	0.7
149.02493	0.5
149.06084	3.4
150.03227	0.7
150.06879	3.8
151.00464	1.5
151.03998	0.4
151.07637	0.9
152.01181	1.5
153.02043	0.7
153.09225	17.3
154.09602	1.2
157.08710	0.5
159.06694	0.7
161.04579	0.4
162.06866	0.5
163.07677	2.7
164.08435	2.2
165.01947	0.4
165.05640	0.9
165.09227	16.1
166.09608	1.0
168.00682	1.0
169.01439	5.6
170.01758	0.8
173.08267	1.4
179.03494	0.4
179.07216	0.8
179.10799	0.8
181.08920	0.3
187.09782	20.2
188.10143	1.1
203.09361	0.9
207.10349	1.2
209.11864	0.4
211.02550	0.6
217.10820	37.7
218.11205	2.6
225.07953	0.4
227.12888	0.7
231.12366	0.6
271.04688	0.6
277.18097	0.4
287.15002	0.5
306.18488	1.0
307.19150	2.1
313.05786	0.7
313.13065	0.8
319.19272	0.5
320.20044	0.4
321.20959	0.4
322.17914	0.5
327.12350	0.7
336.19598	1.0
337.20184	6.4
338.20602	0.8
341.19714	2.2
351.21713	0.7
379.24960	1.1
417.26675	1.0
425.27017	3.2
426.27496	0.5
443.27878	0.8
457.13467	0.4
489.28876	1.0
506.28790	0.7
507.29623	11.2
508.29776	2.4
515.21368	0.8
525.31195	1.6
543.24603	0.5
643.32886	0.4
669.35095	5.7
670.35321	1.4
687.36371	100.0
688.36700	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	687.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01380	19.4
61.98831	31.9
68.99831	1.1
69.03422	1.3
71.01386	11.6
71.75047	1.2
72.99292	1.1
73.02948	1.4
75.00882	2.3
78.95909	3.7
80.02710	1.0
81.03454	1.3
83.05056	3.8
85.02951	3.1
87.00877	1.4
89.02457	3.9
95.05034	1.3
97.02952	1.5
97.77502	0.7
99.00894	1.0
101.02460	4.5
109.06609	2.9
111.04532	1.7
113.02488	4.7
119.03540	1.1
125.02425	1.0
125.09719	2.0
135.08228	1.4
145.05132	0.8
152.99651	0.9
161.04604	2.3
161.09727	1.5
163.11282	3.1
165.12880	1.5
169.12378	5.7
171.10280	12.9
177.09204	1.4
179.05594	1.0
179.10783	1.8
181.12398	0.8
183.13942	6.9
185.11848	1.4
197.11842	70.3
198.12117	4.0
199.09688	1.5
201.11330	0.8
205.08662	2.7
207.10284	7.0
209.11839	68.9
210.12170	4.1
211.13408	100.0
212.13795	7.0
213.11316	1.8
223.09790	6.5
225.11284	5.6
227.12888	6.6
235.08315	5.2
241.10947	1.1
253.09274	10.5
309.20557	1.3
341.06415	0.9
429.21228	1.1
433.20883	5.1
445.20688	1.3
447.22379	9.0
448.22678	1.3
461.20087	1.6
609.32837	2.9
627.33691	1.8
643.29462	2.0
651.30237	1.5
655.33447	2.3
669.31171	5.1
670.31628	1.6
687.32361	8.4
688.33386	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	687.3257
Annotation	Kidamycin
Peak:m/z	Relative Intensity
55.01875	0.3
57.03453	1.9
57.34093	0.3
59.01380	7.6
61.98838	6.7
68.99827	0.9
69.03457	1.1
71.01386	13.0
71.46540	0.7
72.99313	3.6
73.02953	1.5
75.00882	8.5
78.95919	0.7
81.03461	0.7
83.01389	1.1
83.05042	1.1
85.02959	11.0
87.00890	4.0
88.98827	0.6
89.02462	2.4
95.01391	2.3
95.05059	0.5
97.02971	1.0
97.06616	1.0
99.00897	7.0
101.02451	1.9
103.00397	0.8
109.06639	2.0
110.03721	0.4
111.00909	0.6
111.04564	0.9
111.08182	1.8
113.02464	8.8
115.00375	1.3
117.01928	1.2
120.53642	0.4
123.08195	0.4
124.18378	0.3
125.02460	0.4
125.09695	0.6
129.01968	1.1
131.03508	0.5
135.08133	0.4
143.03607	0.3
151.11311	0.8
153.09267	0.4
157.01457	1.1
161.04559	0.9
161.09769	0.9
163.11327	2.0
165.12863	11.2
165.91116	0.4
166.13205	0.9
171.08960	0.5
171.10286	6.0
174.73550	0.3
175.02521	1.8
177.09192	0.4
179.10794	1.1
181.12379	0.4
183.13913	81.5
184.14258	4.0
185.11818	0.7
191.61127	0.4
193.03554	0.6
197.11890	1.8
197.15509	0.7
199.09668	0.3
199.13481	0.5
205.08730	1.3
207.10263	3.9
209.11841	14.0
210.12123	0.9
211.13377	4.4
213.11391	0.9
223.09758	3.9
225.11342	2.7
227.12886	6.8
235.08214	0.9
241.14621	0.4
249.06119	0.6
251.12831	0.3
253.09254	1.6
276.98926	0.3
279.75513	0.4
301.16644	0.7
407.19208	0.4
415.19995	1.0
442.15909	0.4
459.18683	1.2
461.20157	0.6
465.26154	0.8
477.19589	1.7
493.27875	0.6
511.29160	3.6
512.29657	0.7
609.32849	0.6
625.32422	4.4
626.32892	0.9
627.33832	1.0
637.32324	0.6
643.32208	0.6
651.30164	1.0
655.33429	1.0
656.33856	0.4
669.31335	4.5
670.30798	0.9
687.32507	100.0
688.32904	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	687.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.8
57.03455	1.4
59.01379	10.4
59.01664	0.5
59.18134	0.4
59.51602	0.4
61.21446	0.4
61.98830	22.0
66.94890	0.4
67.01895	0.4
68.99820	3.3
69.03473	1.4
69.75056	3.0
71.01385	17.5
71.05034	0.9
72.99306	2.2
73.02968	1.9
73.70807	0.4
75.00896	0.6
78.95938	1.3
79.56142	0.4
80.02711	1.7
81.03470	2.7
83.01421	1.8
83.05032	6.8
83.05448	0.5
84.02209	1.6
85.02959	3.3
87.00877	2.4
88.98828	0.9
89.02444	3.9
90.90492	0.4
93.03465	0.9
95.01414	1.5
95.05051	1.2
96.95981	0.5
97.02950	3.1
97.06633	1.6
98.19878	0.8
99.00893	0.9
101.02442	5.9
107.05068	0.9
108.02152	0.4
109.02970	1.2
109.06605	2.8
110.03736	2.4
111.00920	0.7
111.04535	8.9
111.08183	1.1
113.02472	3.1
119.03530	2.0
119.05038	0.5
120.99691	1.8
121.03020	0.5
121.06618	0.6
122.03761	0.6
123.04554	1.2
123.08192	1.9
125.02494	1.0
125.06128	1.1
125.09736	4.1
127.11264	0.5
131.03590	0.4
135.08183	2.6
137.09718	1.3
145.05070	1.0
149.06100	0.5
149.09718	0.6
151.11293	2.5
152.99599	0.5
153.09241	1.9
155.10773	0.7
161.04588	2.1
161.09746	5.6
163.07617	0.5
163.11314	5.1
164.11664	0.5
165.12892	2.5
165.30727	0.4
167.07320	0.6
167.10715	0.5
169.01443	0.5
169.12343	1.2
171.10286	35.3
172.10632	2.4
177.09238	2.8
177.12801	0.7
179.05620	1.0
179.10793	6.2
181.12386	1.2
183.13916	1.0
185.11830	2.0
187.09697	0.8
190.32126	0.5
191.10863	0.9
195.10278	1.3
195.13924	1.0
197.11842	5.2
198.12253	0.6
199.09734	1.4
201.11316	3.2
205.08719	10.8
206.09027	0.6
207.10298	6.5
209.11836	100.0
210.12170	11.3
211.13290	1.8
213.11307	4.5
221.11819	4.7
222.12186	2.2
223.09770	28.0
223.13226	4.6
224.10118	2.6
224.13736	0.6
225.11320	5.2
227.12888	15.6
228.13272	2.2
233.11775	0.6
235.08232	4.0
239.12927	2.1
240.13197	1.1
241.10825	2.8
241.14571	0.7
251.12956	0.5
253.09271	9.1
254.09599	1.3
255.09784	0.6
397.19983	0.8
407.19070	1.0
415.21127	1.3
433.22113	0.9
441.17392	1.1
445.20636	1.4
459.18332	5.3
461.20471	0.6
471.31119	3.1
472.31305	2.1
473.31625	1.0
477.20114	1.8
487.30475	1.6
517.31232	0.6
589.24023	0.6
599.30682	0.5
625.28668	0.7
627.36121	0.6
633.29114	1.3
643.29401	1.5
651.30096	4.8
652.30621	0.9
669.31329	9.5
670.31702	2.4
679.37109	1.4
680.37146	1.6
687.32306	16.1
688.32452	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	687.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90894	0.4
53.54282	0.5
55.01883	0.9
57.03452	1.2
58.00588	1.0
59.01380	15.1
61.98831	26.1
69.03466	1.1
71.01388	12.6
71.45123	0.7
72.99334	0.8
73.02951	3.9
75.00887	0.6
80.02692	0.8
80.05949	0.4
81.03470	1.6
83.01409	2.6
83.05041	5.4
84.02187	1.1
85.02952	5.1
85.03362	0.5
86.52248	0.4
87.00903	1.6
88.98806	0.9
89.02457	5.5
93.03495	0.9
95.01412	1.7
95.05046	1.3
96.96022	0.5
97.02948	1.1
97.06640	1.0
99.00907	1.3
101.02455	7.6
102.01868	0.5
107.30238	0.5
109.02943	0.8
109.06596	1.7
111.00906	0.7
111.04562	0.4
113.02460	5.9
116.92884	1.0
119.03530	1.5
123.00904	0.7
123.04499	0.6
123.08158	0.6
124.37862	0.5
125.02466	1.8
125.06101	1.0
125.09835	0.7
127.07646	0.6
131.03568	0.7
135.08197	1.1
137.09724	0.6
139.11423	0.5
143.03574	0.7
150.03299	0.6
151.00449	0.9
151.11285	1.9
153.09215	0.5
153.12883	1.5
159.02975	0.6
161.04579	3.3
161.09697	0.7
163.04045	0.7
163.11331	4.9
165.05562	0.7
165.12852	2.6
167.07162	0.6
168.00618	1.1
169.01443	1.5
169.12358	31.5
170.12717	1.7
171.10289	5.1
177.09215	0.5
179.05621	0.9
179.10725	1.5
181.12306	1.1
189.09016	0.5
191.10820	0.9
197.11841	41.0
198.12199	2.5
199.13391	0.5
201.11424	0.6
205.08769	0.5
207.10258	3.1
209.11839	71.3
210.12192	5.5
213.11360	0.8
223.09781	1.8
225.11292	3.6
227.12903	9.0
235.08257	1.8
241.10822	0.7
253.09253	5.2
315.12076	0.4
329.23322	0.7
459.18350	0.9
461.20218	0.7
477.18808	0.7
487.34210	1.1
489.32224	0.7
615.30560	0.5
627.33801	12.1
628.34167	2.8
651.30408	0.8
669.31091	0.7
687.32446	100.0
688.32831	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	687.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27176	0.8
54.09357	0.6
55.01859	0.9
55.92323	0.7
57.03425	1.3
58.44827	0.6
59.01093	0.7
59.01380	10.1
61.98831	34.8
69.03452	0.9
71.01389	9.1
71.04989	0.7
72.99320	0.8
73.02912	1.2
80.02663	1.0
81.03458	1.5
83.01385	1.3
83.05044	6.0
84.02157	1.0
85.02927	2.5
87.00840	2.3
89.02459	9.3
95.04977	1.2
97.06561	1.2
101.02460	6.5
111.04507	1.3
113.02401	2.5
119.03510	1.2
119.05013	1.1
125.02454	4.3
125.06049	0.9
125.09673	1.4
149.99536	0.7
150.06799	2.2
151.07483	1.0
151.11238	1.2
153.12846	1.8
161.04485	1.9
163.03955	2.3
163.11298	5.8
165.12802	3.2
168.00580	2.6
169.01340	2.8
169.12352	23.4
170.12643	1.5
171.10263	6.5
177.09192	1.2
179.10678	2.7
181.12280	1.1
197.11836	40.7
198.12051	3.3
209.11835	93.5
210.12125	6.6
223.09785	3.8
225.11139	1.5
227.12886	8.7
241.10728	1.5
253.09319	5.7
256.40735	0.7
300.02515	1.4
301.03745	0.8
327.08542	0.7
445.20416	0.9
651.13251	1.7
669.30145	1.6
687.32019	100.0
688.32507	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	687.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69164	0.4
54.23988	0.4
55.01880	0.7
57.03444	1.1
59.01381	93.9
60.01719	1.3
61.23815	0.5
61.98835	9.6
71.01390	8.4
72.99301	0.5
73.02945	2.6
75.00883	1.2
83.01407	1.8
85.02951	3.0
87.00868	0.6
89.02466	1.8
93.03481	0.6
95.01389	0.8
95.05049	0.5
96.96023	0.8
97.06600	0.9
98.20711	0.8
99.00900	0.9
99.04558	2.1
101.02453	3.2
107.01414	1.7
108.02239	0.5
109.02972	0.9
109.06631	0.5
111.00903	0.6
113.02468	2.4
119.03505	0.6
121.02977	7.3
123.00920	1.5
123.04594	0.5
124.01727	0.4
125.02474	7.7
126.02805	0.7
133.05058	1.1
135.04559	2.1
136.01682	1.5
137.02446	1.6
139.00398	0.7
139.04039	0.7
140.01176	0.6
149.02402	0.5
150.03238	0.6
150.06889	1.2
151.00415	1.1
151.03955	1.1
153.01968	0.5
153.09399	0.4
161.04578	1.5
162.03221	0.9
165.01907	1.2
165.05547	1.1
165.09230	0.4
165.12846	1.0
166.06375	52.6
167.06706	3.6
167.10858	0.5
168.00638	0.7
169.01448	8.0
170.01775	1.0
171.01817	0.6
177.05577	0.7
179.03438	0.5
179.07249	0.5
179.10825	1.0
181.08728	27.1
182.09024	2.1
189.12923	0.6
193.71112	0.4
195.06670	1.1
207.13893	1.7
209.11829	6.6
210.12102	0.7
211.02452	0.5
221.04753	0.4
223.09637	0.5
225.14977	7.7
225.27045	0.4
227.12901	30.7
228.13216	2.8
251.12796	0.7
269.13861	2.1
287.14951	1.1
311.09140	0.5
313.05582	1.5
313.49335	0.4
327.08600	0.6
357.13342	0.9
385.60852	0.5
399.16608	1.2
417.17664	1.3
459.18726	1.1
525.34210	0.7
541.85840	0.5
543.24231	1.0
625.25171	0.8
669.31281	7.0
670.31586	1.4
687.19623	6.9
687.32458	100.0
688.20398	1.5
688.32813	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03452	0.9
58.00594	0.4
59.01380	5.4
69.03458	4.4
71.01384	4.4
71.05029	1.7
73.02958	1.2
75.32735	0.3
80.02682	0.8
81.03479	1.3
83.01398	1.1
83.05038	4.9
84.02175	1.1
85.02973	1.2
87.00919	0.7
89.02460	2.6
95.01394	0.8
95.05025	0.9
97.02963	0.7
97.06593	1.0
98.20723	0.7
99.00895	0.8
101.02453	3.5
106.89738	0.3
109.06572	0.6
111.08236	0.4
113.02457	2.0
119.03507	1.0
123.08174	1.1
125.06129	0.4
125.09750	2.1
135.08197	0.4
143.03430	0.5
145.05125	0.3
151.11273	1.9
153.12881	1.5
161.04602	0.9
161.09750	3.0
163.11298	3.4
165.11620	0.4
165.12823	1.7
179.10820	6.9
181.12239	0.4
191.10818	0.8
197.11853	62.7
198.12167	3.5
209.11847	46.4
209.13960	0.7
210.12122	3.1
223.09807	1.2
227.12885	3.3
229.81128	0.6
235.08049	0.5
241.10918	2.8
253.09299	2.4
302.31509	0.3
333.29633	0.3
459.18790	0.8
477.19757	2.5
478.19760	0.5
552.16064	0.4
669.31805	0.7
687.32501	100.0
688.32861	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	687.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19486	0.3
57.03433	0.4
58.05922	0.3
58.22841	0.3
59.01381	5.3
59.85670	0.3
61.98837	2.5
66.72331	0.3
67.01878	1.1
69.03452	0.3
69.40237	0.7
69.40650	2.7
69.63430	0.3
71.01390	4.3
71.25159	0.3
72.01717	0.4
72.99317	0.4
73.02929	0.7
79.01890	1.2
81.03458	0.5
83.01388	0.5
85.02959	1.7
87.00879	0.9
89.02457	3.3
90.96317	0.4
95.01397	2.4
97.02958	0.9
98.20628	0.6
99.00886	0.5
101.02448	2.3
107.01397	4.1
109.02989	0.5
110.00114	0.5
111.00900	2.3
113.02477	1.5
116.92891	2.3
119.03480	0.7
119.05066	0.3
121.02944	0.5
123.00900	17.4
123.04498	0.4
123.29897	0.3
124.01651	1.1
125.02463	17.3
126.02836	0.5
127.00389	1.0
131.70126	0.3
136.98848	1.8
137.02454	0.3
139.00385	5.1
140.01192	3.1
141.01978	1.8
151.00397	8.7
151.03960	0.4
153.01932	1.2
161.04623	0.5
161.06030	0.4
163.03981	0.7
165.01956	0.4
167.03561	0.3
168.00668	3.4
169.01445	19.3
170.01765	1.1
196.43871	0.3
203.05865	0.3
211.02502	5.7
260.27023	0.3
271.04614	5.2
283.10721	0.7
284.10977	0.4
288.04672	0.3
300.99957	1.5
301.02933	0.3
313.05627	1.0
386.22531	0.3
507.22321	0.9
525.23389	1.3
655.23340	2.8
687.28906	100.0
688.29272	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	687.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
58.00592	1.7
59.01380	37.7
60.01717	0.8
61.98829	4.6
65.03954	0.8
71.01386	13.4
71.18204	1.0
71.18542	0.9
72.99308	3.1
73.02946	3.8
74.99101	0.9
77.58018	0.6
83.01399	1.4
85.02969	5.8
87.00883	3.2
88.98850	0.8
89.02452	11.2
93.03470	1.6
95.01412	0.8
95.05020	0.5
96.35755	0.6
96.96041	0.7
99.00891	1.2
99.04583	0.5
101.02462	8.1
103.04031	3.3
105.03460	1.0
107.01420	0.7
107.05025	1.3
108.02180	1.2
109.02953	1.0
113.02448	2.5
115.00398	1.1
116.92901	3.0
117.03477	4.1
119.03577	2.7
119.05032	5.6
120.99713	0.7
121.02987	1.5
123.00923	0.9
123.04533	1.5
124.01681	0.8
125.02450	2.1
131.03548	0.9
133.03049	0.9
134.03737	1.4
135.04535	5.6
136.04855	0.5
136.99142	0.6
137.02449	2.0
138.03224	4.1
145.02985	9.0
146.03755	19.7
147.04475	2.3
149.02429	0.9
149.04582	1.5
149.06104	1.0
150.03229	2.5
151.00328	0.7
151.04033	7.6
161.02481	1.4
161.06076	9.8
162.03230	2.5
163.04024	58.1
164.04799	6.6
165.01909	0.9
165.05557	4.4
167.07117	0.7
169.01413	2.6
177.05583	2.3
179.03543	0.6
179.05711	1.3
179.07140	6.2
181.05173	0.7
182.05856	2.5
183.06650	9.5
184.06993	0.8
189.05624	0.8
192.00618	1.7
195.06697	1.4
197.08240	1.6
201.05589	2.3
211.06102	3.9
225.07631	0.9
298.23962	0.6
300.99872	1.4
327.10852	100.0
328.11472	20.9
329.12418	20.3
330.12778	1.8
341.12375	3.7
344.10992	1.2
353.12491	0.9
355.13995	1.3
359.13446	7.6
360.13705	1.1
369.12024	2.4
371.13525	2.1
383.13455	16.3
383.18274	1.0
384.13748	1.5
413.14453	5.0
414.14798	1.4
477.17798	0.8
489.17395	2.5
490.17355	1.0
491.17731	2.2
507.18732	9.3
508.18823	2.0
519.18689	21.9
520.18964	3.5
525.19806	17.5
526.20313	3.2
541.98926	0.6
627.28546	0.7
655.23590	1.0
669.24316	1.3
687.26013	8.5
688.25574	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	686.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51793	0.2
54.76559	0.2
55.14967	0.2
59.01386	1.3
61.98831	100.0
62.98522	0.4
71.01389	1.1
71.17567	0.2
71.17887	0.4
78.95923	0.9
85.02962	0.3
97.02912	0.2
97.06610	0.2
101.02500	0.2
111.04563	0.3
112.09580	0.2
125.09781	0.2
152.99660	0.6
163.11375	0.4
171.10301	1.4
189.30333	0.2
190.65086	0.2
197.11821	0.6
197.13588	0.2
201.11363	0.2
205.08725	0.3
207.10295	0.5
209.11842	3.2
223.09784	0.7
225.11427	0.6
227.12909	0.6
229.06854	0.2
253.09406	0.4
455.90787	0.2
584.93243	0.2
626.35309	0.3
651.30975	0.3
669.31232	0.5
687.32751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1956
Annotation	CHEBI:131773
Peak:m/z	Relative Intensity
51.41572	0.3
52.74162	0.3
53.57565	0.3
59.01387	1.8
61.98828	1.0
67.01900	0.8
68.99784	0.5
69.03442	0.6
69.44215	0.6
69.44624	2.8
71.01383	3.3
72.99314	0.6
73.02937	0.6
79.01906	0.9
81.03425	0.5
83.01401	0.8
85.02969	0.9
87.00895	0.5
89.02462	1.0
93.03487	0.3
95.01382	1.8
97.02947	0.9
99.00896	0.3
101.02443	1.6
107.01405	8.9
108.02228	0.7
109.02955	1.8
110.00127	0.5
111.00905	2.5
113.02443	1.4
119.03487	0.5
121.02984	1.6
122.03786	0.5
123.00904	11.0
123.04543	0.7
124.01722	2.3
125.02463	48.0
126.02814	1.4
127.00405	0.8
127.13120	0.3
135.04579	0.6
136.01648	0.4
136.05310	0.4
136.98796	1.5
137.02472	1.2
139.00394	4.2
139.04034	0.9
140.01176	4.3
141.01942	1.3
145.02930	0.4
146.03783	0.3
147.03436	0.4
147.04527	3.2
148.05293	0.5
149.02419	0.5
150.03244	1.1
151.00377	7.2
151.04028	0.9
152.01180	0.4
153.01955	1.1
158.03714	0.6
159.04564	2.9
160.05315	6.8
161.02428	0.4
161.06111	3.3
163.04018	1.3
164.04811	1.5
166.02644	0.3
166.99872	0.5
167.03589	0.4
168.00659	5.7
169.01442	63.1
170.01804	1.8
173.06093	0.9
174.03256	0.3
175.04004	0.5
175.07654	4.4
177.05632	1.5
178.06288	1.6
179.03513	0.9
181.01442	0.3
183.02979	3.7
192.07941	0.3
193.01396	0.5
193.08705	0.7
197.04637	0.3
202.00111	0.3
211.02509	1.6
225.03972	0.4
225.66492	0.3
241.03508	1.2
253.03522	0.9
268.07364	1.0
269.08054	0.5
271.04553	0.5
283.09845	1.0
284.10565	1.0
285.11166	0.3
297.06137	1.1
297.11514	0.4
298.12195	0.9
299.12878	1.6
309.07770	0.5
313.05630	14.9
314.06024	1.0
315.12396	0.8
327.07181	0.8
329.13910	9.3
330.14273	0.8
341.10284	0.4
373.12955	1.4
406.02377	0.3
525.14423	1.8
525.21252	0.5
526.14990	0.4
535.18103	1.7
536.18622	0.4
625.18964	0.3
643.20593	3.3
644.20966	0.6
652.74109	0.3
669.18201	2.9
670.18182	0.4
687.19495	100.0
688.19788	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	686.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
59.01385	2.5
61.98833	72.8
63.02408	0.4
65.00320	0.9
69.61832	1.2
69.62265	2.0
71.01383	2.1
73.02944	0.4
76.26857	0.3
76.95013	0.4
83.01411	0.8
85.02960	0.6
87.00890	0.5
89.02458	0.7
101.02482	0.8
107.01406	1.2
108.02184	0.5
108.40464	0.4
109.02950	0.6
113.02533	0.5
116.92879	0.4
117.03497	2.5
119.05054	2.6
121.02969	0.7
123.04552	0.6
124.01659	0.7
125.02484	3.4
137.02559	0.4
145.02986	11.3
146.03331	0.7
148.24817	0.5
149.06131	0.7
149.99631	1.1
150.03236	0.5
150.06880	7.4
151.00403	4.6
152.01091	0.4
161.02502	0.4
163.00366	0.8
163.04068	2.4
163.07695	1.2
164.01244	0.6
164.08495	1.2
165.05612	0.4
167.03581	0.6
168.00693	1.5
169.01445	2.8
171.04509	0.4
171.64804	0.4
177.09306	0.3
178.99974	0.6
179.10786	3.1
183.04630	0.5
183.85828	0.4
187.03983	0.7
199.03986	3.2
200.04399	0.3
200.34654	0.4
201.01845	0.4
201.11417	0.4
204.29591	0.3
209.11879	0.6
211.04037	0.6
215.03558	1.2
219.06635	0.7
227.03490	3.4
227.12842	0.7
242.02194	1.5
243.02972	13.7
244.03506	1.2
254.02370	0.6
255.02966	9.6
256.03616	0.8
257.04611	1.7
270.01682	1.5
271.02481	28.0
272.02994	3.8
273.18842	0.4
285.04056	3.7
286.04697	1.8
287.05521	1.8
298.47540	0.5
299.01993	35.8
300.02737	26.3
300.06351	0.6
301.03180	2.3
307.08331	2.0
313.98920	0.6
314.04324	33.2
315.05090	56.9
316.05414	4.9
345.22897	0.8
424.44684	0.4
464.31448	0.8
477.10159	0.6
479.33838	1.4
507.33603	0.4
525.34222	4.6
623.14197	100.0
624.04205	1.0
624.14526	20.6
655.34247	0.6
685.40063	1.8
686.30890	1.5
686.40247	0.7
687.40448	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	685.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
57.03434	0.9
59.01377	5.6
61.98830	10.6
71.01391	3.1
71.44338	1.1
73.02949	1.2
83.01389	0.8
85.02943	1.5
86.00131	0.5
87.00878	1.8
89.02458	1.3
91.75818	0.4
97.31044	0.5
99.04505	0.9
101.02474	2.6
105.93295	0.5
109.02975	0.9
111.08155	0.8
113.02461	1.4
123.00864	0.6
123.04522	0.7
123.08192	1.0
125.02435	2.3
127.11322	0.6
136.05389	0.7
139.07697	0.6
149.06085	1.5
149.99565	0.7
150.03267	0.9
150.06880	31.1
151.07274	2.0
153.02022	0.6
161.02382	0.7
161.04575	0.5
161.09726	1.2
163.07639	5.2
164.08453	5.6
165.05565	1.0
165.08954	0.5
168.00604	1.1
169.01422	1.5
171.10268	0.5
176.08452	0.7
177.09212	0.7
178.09981	1.6
179.10791	18.0
180.11121	0.9
187.09793	0.6
201.11325	2.6
229.10924	0.5
233.06580	0.4
297.11484	0.6
320.19818	1.2
321.20639	1.0
327.21732	1.2
341.23453	1.1
343.21286	4.4
351.21817	0.7
364.22433	1.2
397.80228	0.5
459.31219	0.9
462.29843	2.3
463.31879	0.6
471.60028	0.6
476.31641	0.7
477.32227	6.4
487.34610	1.6
504.31085	0.9
505.31781	2.0
506.32043	0.7
522.32031	1.8
523.32672	25.2
524.33148	4.9
625.38104	6.5
626.38776	0.9
685.38354	100.0
686.38672	23.8
693.34845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48376	0.3
57.03439	0.6
59.01367	1.6
60.66566	0.3
61.98841	2.2
79.02081	0.4
82.04382	0.4
84.11472	0.3
85.02944	0.9
87.00883	0.9
97.06615	0.7
99.04482	0.4
113.06067	0.7
123.08172	1.3
127.11245	0.4
135.08192	0.5
148.05377	0.5
149.06030	2.0
150.06882	32.0
151.07291	1.5
152.64986	0.4
161.09746	0.5
163.07661	4.8
164.08437	6.1
165.09088	0.6
171.10358	0.5
178.10001	1.2
179.10796	17.6
180.11086	0.9
187.09744	0.4
201.11487	0.5
237.92848	0.4
248.45229	0.3
278.18835	0.5
299.18692	0.5
306.18448	0.9
320.20163	1.0
321.20578	0.8
335.22198	0.5
341.23279	1.1
343.21243	4.6
344.21658	0.6
364.22580	1.0
441.30157	0.6
459.31049	0.9
462.29788	1.4
463.30548	0.4
476.31528	0.6
477.32132	6.2
478.32529	1.5
486.08093	0.4
504.30652	0.8
505.31561	2.4
522.32172	2.2
523.32703	25.5
524.33057	5.4
685.38269	100.0
686.38599	26.0
686.50696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01374	1.3
61.98830	2.6
71.01378	1.3
73.02960	0.6
85.02970	0.5
87.00880	1.0
93.93081	0.3
95.05105	0.4
97.06582	0.9
99.04527	0.5
101.02482	0.6
101.38649	0.3
103.67209	0.3
111.04521	0.5
111.08205	0.5
116.92971	0.3
123.08189	1.3
135.08189	0.6
136.05356	0.4
137.06053	0.5
137.09718	0.4
143.29117	0.3
149.06055	2.0
150.06888	36.1
151.07352	1.7
157.08730	0.7
161.09792	0.5
162.06889	0.9
163.07675	7.1
164.08453	6.3
165.09027	0.6
176.08423	0.5
177.09250	0.6
178.10001	1.6
179.10796	18.1
180.11147	1.0
229.10782	0.7
261.18643	0.5
264.22510	0.3
290.03195	0.3
292.20474	0.4
313.20322	0.9
315.05148	0.4
320.19849	1.2
325.20370	0.4
335.22308	1.2
341.23334	1.0
343.21213	3.6
344.21365	0.5
364.22641	1.8
393.26306	0.4
441.30103	0.9
444.29111	0.7
453.99942	0.3
459.31189	1.3
462.29745	2.1
468.83066	0.4
476.31445	0.8
477.32260	5.6
478.32294	1.0
493.31729	1.4
504.30899	0.9
505.31644	2.7
506.32114	0.7
522.31848	2.4
523.32703	23.8
524.26044	0.5
524.33160	4.3
541.64355	0.3
625.38245	0.9
685.38281	100.0
686.38623	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	685.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10654	0.6
55.01862	1.9
57.03428	1.0
58.00593	1.0
59.01382	23.7
61.98829	21.6
63.61207	0.6
67.01893	0.8
69.03454	1.1
70.01777	3.3
71.01389	19.2
72.99313	2.0
73.02946	5.7
76.20538	0.7
79.01896	0.6
83.01403	2.0
83.05047	1.1
85.02957	10.2
87.00878	5.3
89.02455	7.6
93.03490	3.3
95.00796	0.6
95.01368	3.7
96.96012	1.3
97.02969	1.0
99.00892	1.8
99.04493	0.9
101.02453	12.9
103.04005	1.2
105.03450	1.1
107.01418	5.7
108.02190	2.3
109.02972	4.2
111.00887	1.7
113.02455	5.1
116.92890	1.6
119.03510	2.1
121.02952	2.4
123.00895	7.0
123.04547	1.2
124.01704	1.6
125.02463	29.4
126.02840	0.8
126.86793	0.6
127.04018	0.6
135.04535	1.4
136.01666	2.8
136.98796	0.8
137.02457	9.7
138.03252	6.3
139.00388	1.9
139.03999	1.6
140.01181	2.1
141.01958	1.4
145.02945	1.5
145.04982	0.8
146.03709	2.3
147.04553	3.7
148.05251	0.7
149.02432	0.7
149.06042	0.7
150.03232	3.7
150.06900	1.3
151.00392	3.2
151.04030	20.4
152.01176	1.5
152.04478	1.0
153.01930	1.7
159.04510	1.2
160.05284	2.6
161.02440	0.9
161.04547	3.2
161.06084	2.4
162.03180	0.7
163.03966	1.6
163.07605	0.6
164.04819	7.7
165.05617	6.0
168.00667	3.2
169.01440	31.9
170.02071	1.6
175.04053	1.5
175.07590	1.1
177.05614	1.2
179.03502	0.8
179.07123	1.7
180.04234	0.7
181.05112	1.0
182.05833	12.9
183.03008	1.9
183.06648	10.0
191.07211	0.7
195.06674	1.6
197.08212	8.1
211.02626	1.0
211.06108	11.8
212.06419	1.3
221.06558	1.5
224.06943	0.9
225.07614	2.1
227.12962	1.1
241.03682	0.7
267.06744	1.0
281.06650	1.8
283.10446	0.7
287.15002	0.7
298.08478	0.7
301.00061	0.7
310.10608	6.4
311.07712	1.0
311.11066	1.0
312.10034	1.5
313.05698	8.3
313.10718	2.3
314.05936	0.9
325.12964	9.0
328.11621	28.7
329.12292	9.6
343.13983	66.7
344.14285	7.1
356.09045	2.5
361.50558	0.8
371.11349	7.3
372.11792	0.8
373.13025	2.6
375.27710	1.6
490.16934	1.6
504.18616	1.9
505.19229	100.0
506.19525	14.9
655.16968	1.1
685.17908	33.4
685.27771	57.9
686.18420	6.1
686.27972	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	685.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	1.3
55.01995	1.1
57.03580	1.3
58.00471	0.7
58.00712	0.7
59.01197	12.7
59.01539	15.0
60.33728	0.5
61.98669	1.0
61.98992	1.5
69.03315	0.7
69.03613	0.7
70.03536	0.5
70.34188	2.4
71.01181	13.7
71.01626	9.7
72.01562	0.5
72.99130	1.2
72.99551	1.0
73.02747	3.8
73.03210	2.5
83.01161	2.8
83.01698	1.1
85.02727	8.3
85.03316	4.1
87.00656	2.1
87.01221	1.2
89.02214	6.9
89.02843	3.1
93.03264	1.0
93.03820	0.6
95.01157	1.5
95.01774	1.0
99.00688	1.5
99.82001	0.5
101.02197	12.0
101.02946	4.1
108.01988	0.7
109.02739	0.9
111.00745	1.0
113.02184	5.6
113.03027	1.2
119.03243	1.6
121.02686	2.2
122.03453	2.8
125.02167	1.6
127.03767	0.6
129.01762	0.9
132.01907	1.6
133.02658	10.2
133.03767	2.2
134.03403	2.5
134.05901	1.1
135.04277	1.3
137.03230	0.5
139.81888	0.6
147.04285	1.3
147.05327	0.6
149.02119	18.3
149.03445	2.8
149.05769	4.6
150.02898	25.0
150.04247	4.0
151.03455	1.1
159.02823	0.7
161.04221	1.8
161.05473	0.6
162.02951	0.8
163.03777	0.7
164.04454	4.8
165.05228	16.4
165.06783	2.0
166.05984	3.9
166.07486	1.2
167.06757	1.9
169.01149	0.9
177.05322	1.4
179.03098	0.6
179.06839	0.8
180.04024	1.3
181.08353	5.8
187.24518	0.5
191.56581	0.5
195.06247	4.3
221.21936	0.7
239.11461	1.0
243.59915	0.6
283.10266	3.2
287.31638	0.5
295.10388	1.1
312.11691	1.2
313.12881	1.2
314.11624	3.3
314.14508	0.6
315.12021	1.9
327.14493	12.2
328.14554	1.4
329.13947	8.6
330.13916	1.0
341.09866	1.3
344.12250	0.7
356.12323	1.1
357.13025	0.6
359.14603	1.3
371.14929	4.8
381.15778	0.6
435.10715	0.8
457.17996	0.9
460.16699	0.9
461.17352	0.8
475.19720	23.5
476.20325	4.1
489.20090	15.6
490.20297	2.5
533.19757	1.5
543.20978	4.0
544.20001	0.8
559.21796	1.7
637.25079	100.0
638.25421	23.6
649.25153	2.3
654.23132	2.0
667.26154	7.8
668.25970	1.1
685.27393	21.2
685.39221	0.8
686.26172	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	685.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44191	0.4
57.03440	0.6
59.01382	3.4
61.98839	4.4
67.01888	0.8
69.03456	1.2
69.56030	1.4
69.56461	2.0
71.01385	5.0
72.99316	0.8
73.02950	0.9
74.42696	0.4
75.00871	0.7
76.95197	0.4
79.01896	1.0
83.01394	1.6
85.02953	1.6
87.00894	0.6
89.02466	1.0
95.01408	2.5
97.02963	1.9
101.02463	2.8
105.20741	0.4
107.01408	10.7
108.02228	0.9
109.02990	3.5
111.00918	2.6
113.02464	2.0
113.29311	0.4
116.92872	1.0
121.02956	2.7
122.45248	0.4
123.00910	12.3
123.01836	0.6
123.04536	1.1
124.01745	2.3
125.02464	57.6
126.02832	2.5
127.00429	0.8
131.05000	0.5
133.02956	0.9
135.04572	1.0
136.01685	3.4
136.98827	1.1
137.02490	3.2
139.00394	4.1
139.03986	0.8
140.01183	2.8
141.01949	1.5
145.02992	2.9
146.03737	1.6
147.04572	0.7
149.02467	1.2
150.03253	0.6
150.06844	0.7
151.00406	7.5
151.04025	5.1
152.01067	0.9
153.01973	1.4
159.04520	1.4
160.05344	3.3
161.02428	1.5
161.04823	0.7
161.06099	3.8
163.04036	0.9
164.04819	2.8
165.01947	0.7
165.05466	0.8
166.99925	0.8
167.03503	0.6
168.00662	4.8
169.01443	66.8
170.01805	2.9
174.03262	0.5
175.04005	2.8
176.04765	0.5
179.03470	0.8
179.07089	2.9
183.03017	3.5
186.32774	0.4
187.04021	0.5
189.05565	0.9
191.03625	0.4
193.01466	1.5
204.04399	0.6
209.11823	1.2
211.02536	1.5
223.02382	0.7
241.03476	1.2
253.03436	0.8
255.56055	0.4
267.06686	2.7
268.07382	1.6
281.06506	0.4
282.08902	1.8
283.09677	1.3
297.07629	1.8
297.11368	1.4
312.10089	4.4
313.05646	17.3
313.10632	2.4
314.05960	1.2
327.07324	0.8
327.12448	0.9
341.10385	1.5
356.09009	8.0
357.09506	1.5
371.11362	29.8
372.11655	3.8
434.28171	0.5
505.19470	1.1
533.16644	2.6
534.16809	0.5
608.87183	0.5
641.18628	1.2
655.16986	0.7
685.17932	100.0
685.29022	4.4
686.18268	23.0
686.28571	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
59.01379	42.9
61.98829	27.7
70.87900	5.0
71.01385	16.9
72.99307	1.5
73.02937	3.5
77.33524	1.2
77.95868	1.2
78.95899	3.1
81.03484	1.7
83.01386	1.6
83.05027	1.9
85.02946	4.9
87.00877	6.0
88.98801	3.8
89.02457	7.5
95.01382	1.9
95.05000	2.5
99.00877	1.4
101.02470	6.9
109.06602	2.5
113.02456	5.9
118.96822	1.7
125.02456	2.0
126.13255	1.4
145.05099	2.7
151.61430	1.3
152.99622	2.3
161.04582	3.1
171.10284	26.6
179.05627	1.5
207.10233	2.7
209.11823	2.0
213.14957	2.3
225.11409	1.9
235.08250	9.7
237.14925	2.1
241.18051	1.4
253.09251	2.4
271.20645	1.5
277.21719	2.9
293.21164	11.9
315.26950	3.6
325.25217	4.5
341.24576	1.9
343.26352	8.6
351.23019	1.7
359.25879	6.2
369.24316	10.9
387.20709	2.7
387.25394	35.7
388.25729	7.7
405.26410	24.0
406.00082	1.6
406.26657	2.8
503.37402	2.7
609.65015	1.6
623.34479	100.0
624.34808	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31754	0.8
57.03443	3.8
59.01385	6.8
61.98837	16.3
68.38652	0.8
69.03467	0.9
71.01388	5.9
71.69709	1.1
72.99271	0.9
78.95895	0.9
79.52294	0.8
89.02466	4.5
97.06601	12.2
101.02460	3.6
104.29467	1.0
113.02454	2.9
122.00303	0.8
123.08153	6.8
125.09742	100.0
126.10056	4.3
143.10793	1.7
169.08678	2.8
184.53102	0.8
187.09775	74.3
188.10123	3.0
189.30467	0.8
211.09450	1.0
253.09283	2.3
255.23276	1.9
277.21713	17.2
278.22006	2.1
288.39389	0.9
405.17661	4.1
423.18741	13.2
424.18729	1.3
683.40302	99.8
684.40613	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	683.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40730	0.8
55.01876	1.5
55.30716	1.0
55.68999	0.8
55.88313	0.8
57.03444	3.6
58.00592	2.5
59.01381	51.2
59.92993	0.9
60.01709	1.1
61.98831	14.5
69.03452	1.6
69.07358	1.1
69.66802	6.8
71.01388	77.2
71.05017	1.3
72.01715	0.9
72.99321	3.3
73.02951	50.2
83.01411	5.1
83.05029	1.0
85.02961	34.0
87.00877	9.7
89.02454	51.0
95.01402	5.9
96.96032	4.1
97.02944	3.0
99.00877	5.3
99.04564	2.8
101.02458	100.0
102.02802	1.4
109.02963	1.1
113.02460	34.9
117.97330	2.7
119.03512	23.0
119.05013	1.6
125.02448	3.6
127.04013	3.4
129.01942	1.0
131.03528	9.1
134.03745	12.9
135.04527	1.3
137.02438	1.2
139.74765	0.9
143.03520	9.5
143.79355	0.9
145.03123	2.1
145.05089	79.7
146.03766	34.8
146.05113	1.6
146.05460	2.0
147.04433	2.0
149.04565	2.7
149.06096	5.2
150.03226	2.9
151.04092	1.7
159.03036	5.1
161.02440	2.6
161.04602	53.1
161.06076	10.4
162.03239	8.8
162.05006	1.7
162.06305	1.3
163.04008	3.5
164.04813	22.4
165.05513	3.0
166.57143	0.9
169.01405	1.3
174.74940	1.0
175.39639	0.9
177.05553	8.2
179.05632	79.7
179.07158	18.5
180.04478	1.2
180.05977	3.2
181.05031	1.3
182.05885	2.3
183.06546	1.2
197.08202	3.4
221.06677	21.1
222.06972	1.1
225.07684	1.5
247.08217	40.2
248.08633	1.4
265.09183	4.5
284.49725	0.9
323.40781	0.9
325.11472	2.2
328.11615	3.7
343.14066	15.0
344.14481	1.4
407.50098	1.0
503.17703	5.5
504.18494	14.5
505.19211	4.3
522.65759	1.1
556.91504	1.0
635.35138	1.0
653.24323	5.8
665.24884	7.4
683.26129	14.9
683.38745	7.0
684.26630	2.6
690.77472	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	683.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25017	0.2
57.03455	0.3
57.86572	0.2
58.91517	0.3
59.01081	0.5
59.01374	6.7
60.99308	18.6
61.98830	14.6
63.02417	0.3
64.59266	0.2
66.69868	0.3
69.03446	0.4
71.01384	4.9
72.99300	0.8
73.02948	1.5
73.79111	0.3
74.70906	0.3
78.95907	0.5
83.01402	0.7
83.05029	0.3
83.96029	0.3
85.02956	1.7
87.00895	0.8
88.98813	100.0
89.02438	2.5
89.99140	1.5
93.03469	0.5
95.01414	0.5
96.96012	2.9
96.96980	0.5
97.02985	0.3
97.06591	0.3
99.00899	0.4
101.02471	4.0
107.01412	0.8
108.02123	0.4
109.02944	0.7
109.06613	0.3
111.00868	0.3
113.02470	1.8
115.00397	0.3
116.92856	1.0
117.03471	0.5
119.03487	0.8
119.05032	1.0
121.02968	0.7
123.00886	0.9
123.04539	0.7
125.02463	3.9
131.03528	0.7
133.03001	0.3
135.04547	0.6
137.02449	0.7
143.03461	0.5
145.02950	2.8
149.99614	0.4
150.06889	0.5
151.00401	0.9
151.03983	0.3
152.01195	0.6
153.01912	0.6
159.03116	0.3
159.04465	0.4
159.10304	0.5
161.02484	0.6
161.04576	1.1
163.00423	0.4
163.03995	1.2
163.07639	0.4
164.04726	0.4
165.01974	0.3
165.05605	0.5
167.03525	0.7
167.10759	0.6
168.00620	1.6
169.01419	2.5
177.01845	0.4
179.03600	0.4
179.05605	1.5
179.07086	0.5
179.10785	0.6
185.06093	0.5
187.03961	0.4
189.05597	0.4
204.04297	0.5
209.11816	1.9
211.04166	0.4
221.04800	0.3
221.06551	1.7
223.13280	0.3
227.03500	4.4
227.12920	1.0
228.03918	0.7
228.13181	0.3
229.05017	1.5
239.03520	0.4
241.05087	0.5
255.02965	8.1
256.03555	1.5
257.04614	1.0
271.02173	0.3
283.02533	0.4
284.00769	0.2
284.03244	13.8
285.04016	15.9
286.04578	1.4
286.07196	0.3
287.14981	0.4
307.08151	0.6
311.09695	0.4
313.05618	0.3
353.10916	1.2
373.25992	0.3
447.09097	0.4
455.13907	0.9
520.32263	0.8
521.32166	0.8
593.13013	36.1
594.13367	8.2
621.25818	0.4
682.37286	0.5
683.26947	3.4
683.37781	4.5
684.27960	0.8
684.38898	0.6
703.46448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89859	0.1
60.58471	0.1
61.98829	100.0
62.98508	0.2
69.53296	0.1
69.53712	0.5
98.19903	0.1
171.87614	0.1
183.94029	0.1
209.11952	0.1
216.94510	0.1
331.22009	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	680.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91683	0.1
51.97003	0.1
59.01374	0.2
61.98831	100.0
62.98529	0.3
71.66079	0.2
93.73740	0.1
145.02974	0.1
185.11864	0.9
221.22820	0.1
237.65155	0.1
239.28809	0.1
240.46854	0.1
244.34059	0.1
277.21667	0.6
281.53735	0.1
302.64178	0.1
365.85602	0.1
383.10620	0.1
617.39038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59959	0.3
57.03444	1.3
58.00595	0.4
58.07515	0.4
59.01083	0.8
59.01378	13.5
60.99307	0.8
61.98832	32.2
69.03483	0.7
70.86691	0.3
71.01385	17.0
71.67820	0.8
72.99314	2.0
73.02937	2.8
75.00873	0.6
81.03457	0.4
82.75840	0.4
83.01390	1.6
83.04992	0.4
85.02952	2.9
87.00883	31.0
88.01205	0.7
88.98821	4.2
89.02469	3.1
95.01406	0.6
96.96027	0.8
99.00896	0.9
99.04530	0.5
99.92632	0.5
101.02448	3.4
108.02197	0.7
109.02965	1.7
111.00897	1.4
112.98804	0.5
113.02460	2.8
115.00388	41.1
116.00729	1.1
116.92886	4.5
117.03473	0.8
117.05614	0.4
117.92918	0.4
119.03515	0.8
119.05056	1.8
121.02976	0.9
123.00890	1.6
123.04529	0.9
124.01646	0.5
125.02453	3.6
127.00248	0.4
131.03606	0.5
134.06149	1.9
135.04550	0.9
136.01656	0.5
136.06732	0.4
136.07709	7.1
137.02480	1.1
137.07983	0.8
139.00381	1.1
145.03009	2.2
149.02487	0.4
149.06140	0.9
150.06877	1.3
151.00374	1.1
151.04047	0.8
152.01134	0.8
153.01949	2.4
154.02673	0.6
161.02440	1.4
161.04506	0.5
163.02756	0.4
163.04028	1.6
163.07678	0.4
165.05597	0.9
167.03519	2.1
168.00635	1.2
169.01440	2.8
174.01651	0.4
175.02498	100.0
176.02875	3.5
179.07187	0.4
179.10834	1.0
181.01538	0.4
181.05042	0.5
189.05597	0.6
195.06670	0.4
201.05646	0.4
207.06606	0.7
208.33963	0.4
209.11812	0.7
218.57741	0.4
226.01698	0.4
227.12947	0.7
235.06107	0.8
251.05330	0.4
251.09151	0.8
266.06943	0.9
271.04678	0.4
273.97714	0.3
281.09332	3.0
283.10770	1.4
285.04028	1.3
293.09314	1.9
297.71002	0.4
300.02545	0.5
311.07733	4.9
312.10089	0.5
313.11929	0.9
350.20950	0.4
355.25513	0.4
356.08994	0.6
358.27374	0.5
366.76077	0.4
366.99731	0.4
371.11429	1.6
402.18378	0.8
430.17694	4.3
431.18347	1.1
462.20157	0.6
473.12778	0.8
474.16705	11.0
475.16934	1.7
503.17087	5.7
505.33463	0.4
506.19254	15.5
507.19733	3.5
521.31482	1.3
622.33929	0.4
623.37689	0.6
681.42560	1.1
682.34332	1.9
682.43402	0.9
683.28741	3.7
683.39258	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	680.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07699	0.1
59.01370	0.1
61.98832	100.0
62.98543	0.2
68.69057	0.1
70.28165	0.2
77.91302	0.1
78.95945	0.1
83.15305	0.1
113.91521	0.1
140.01193	0.1
151.53250	0.1
154.10927	0.1
174.34148	0.1
181.80113	0.1
201.11356	0.2
209.11867	0.3
227.13144	0.1
255.23344	0.3
662.40466	0.1
680.31781	0.1
680.41821	0.5
681.42505	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	680.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.1
59.01379	3.6
59.48777	0.1
61.98831	100.0
62.98525	0.2
63.99248	0.2
71.01384	2.2
71.66913	0.1
71.67300	0.2
72.01714	0.2
72.99315	0.2
73.02936	0.3
78.95920	0.2
80.96515	0.2
83.01406	0.2
85.02962	0.6
87.00883	0.3
88.65337	0.1
88.98835	0.4
89.02453	1.5
90.02809	0.1
95.01421	0.1
101.02443	1.5
110.93661	0.1
113.02462	0.7
116.92846	0.3
119.03527	0.3
123.04491	0.1
125.02470	0.5
131.03535	0.4
135.04514	0.2
137.02351	0.1
149.04559	0.5
161.02490	0.1
161.04637	0.1
169.01379	0.3
171.10309	0.3
177.01993	0.3
178.99989	0.1
179.05702	0.2
183.13995	0.2
191.05586	0.3
209.11893	0.3
210.12141	0.2
213.14972	0.6
214.15352	0.3
274.33371	0.1
342.26828	0.1
357.13187	0.2
456.32062	0.2
459.30957	0.2
487.34183	0.2
488.34320	0.3
489.34595	1.0
518.32147	0.4
617.34595	0.7
621.38861	1.0
680.37573	6.1
681.37360	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3726
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
50.38160	0.3
54.54689	0.2
57.03445	0.6
58.00589	0.5
59.01381	7.1
60.99309	0.9
61.98833	35.2
62.98553	0.3
68.99816	0.5
69.03443	0.3
69.71194	0.2
71.01388	4.4
71.05006	0.5
71.30304	0.5
72.99315	0.3
73.02953	1.1
75.00890	0.7
78.95932	0.5
83.01407	0.6
85.02962	2.2
87.00887	0.4
88.98833	0.7
89.02451	2.5
93.03445	0.3
95.01417	0.4
96.96053	0.7
99.00893	0.2
101.02471	2.1
109.03002	0.4
111.00891	0.5
113.02475	1.9
116.92865	0.7
117.03505	2.8
119.03548	0.5
119.05043	2.6
121.02978	0.8
123.00895	0.5
125.02493	1.2
131.03532	0.3
135.04512	0.3
136.01701	0.7
137.02492	0.5
145.02983	15.7
146.03329	0.9
147.04561	0.7
149.02415	0.2
151.04047	0.9
155.94254	0.3
159.04553	0.5
160.05302	0.6
161.04683	0.4
161.06116	0.8
163.04015	2.2
169.01448	1.0
169.12352	0.5
175.04042	0.3
177.02025	1.5
181.04996	0.2
190.94598	0.2
193.01436	0.2
193.30736	0.2
200.70772	0.2
209.11867	0.5
267.06714	0.4
297.07736	0.6
300.99884	0.2
307.08243	6.6
308.08545	0.8
311.09329	0.3
312.09970	1.0
313.10611	0.3
356.08969	1.2
371.11359	5.3
372.11758	0.5
377.28571	1.0
382.27274	0.2
407.29486	0.8
421.27502	0.6
423.29071	1.2
424.29877	0.3
425.30609	4.0
426.30807	0.6
437.30646	3.1
438.31207	0.5
439.32138	0.3
441.29913	1.2
442.30566	0.3
451.28577	0.6
453.30191	1.4
454.30334	0.4
455.31671	20.7
456.25961	0.3
456.32065	4.5
469.29510	21.5
470.29904	4.4
472.31940	1.8
473.32584	3.3
474.32642	0.6
483.30865	0.6
487.30667	0.3
499.30518	1.3
505.31937	0.8
511.30603	1.9
512.30988	0.4
517.31598	5.0
518.31995	1.0
533.16522	1.3
559.32672	1.8
560.33154	0.4
616.34302	0.7
617.35565	0.3
631.35144	3.5
632.35742	0.6
642.96234	0.3
643.36548	0.4
661.34552	0.5
679.37213	100.0
680.19159	0.7
680.37567	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	679.3723
Annotation	2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,24-diene-22-one
Peak:m/z	Relative Intensity
55.01875	0.5
57.03437	0.3
57.98997	0.2
58.00593	0.6
58.35896	0.2
59.01380	13.9
60.99311	1.0
61.98835	6.1
62.71131	0.2
69.59785	2.1
71.01387	7.1
71.05027	3.8
72.99297	1.0
73.02948	0.8
75.00879	0.5
83.01396	0.7
85.02956	1.8
87.00908	0.3
88.98814	2.1
89.02457	5.9
94.02988	0.2
95.01414	0.6
96.96011	0.5
101.02464	4.9
102.16029	0.2
109.02916	0.3
113.02460	2.3
116.92857	0.8
119.03524	1.7
119.08664	0.3
125.02463	0.8
126.90501	0.2
127.98412	0.2
128.03603	0.2
131.03571	0.2
135.04485	0.2
139.00359	0.2
150.03275	0.2
165.63203	0.2
167.03467	0.3
169.01404	0.7
179.05637	0.2
223.41840	0.2
227.12854	0.3
240.66331	0.2
313.05429	0.3
421.27399	1.8
422.27982	0.3
437.30634	10.8
438.30939	2.2
455.31714	8.6
456.31955	1.6
481.29797	0.3
499.30618	10.3
500.31024	2.1
517.31683	16.4
518.31976	3.6
559.32861	0.8
617.32153	0.3
649.28802	0.5
679.37213	100.0
680.37531	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	679.3723
Annotation	2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,24-diene-22-one
Peak:m/z	Relative Intensity
52.06817	0.2
57.03436	0.3
58.00591	0.6
59.01381	6.9
60.99302	0.7
61.98835	3.2
68.99807	0.5
69.47194	0.9
69.47610	1.2
71.01387	4.4
71.05038	0.2
72.22180	0.2
72.99317	0.8
73.02944	0.4
75.00875	0.7
76.30576	0.3
83.01392	0.3
85.02957	1.0
87.00887	0.4
88.98795	0.3
89.02450	3.4
89.11963	0.2
95.01402	0.3
96.96036	0.5
99.00935	0.4
101.02452	2.5
111.00912	0.6
113.02452	1.3
115.92104	0.3
116.58481	0.2
116.92896	0.6
119.03522	1.0
125.02460	0.7
149.71831	0.2
169.01457	0.7
175.02470	0.4
247.02510	0.7
401.27414	0.3
404.00470	0.2
421.27454	1.4
422.27823	0.3
425.27158	0.3
437.30615	11.7
438.30988	2.2
441.29764	0.3
451.32104	0.3
455.31671	10.9
456.31879	1.8
471.31107	0.5
473.32730	0.8
499.30670	0.5
517.31665	22.2
518.32086	3.0
559.32892	1.8
619.34637	0.2
648.59625	0.3
679.37219	100.0
680.37500	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	679.3723
Annotation	2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,24-diene-22-one
Peak:m/z	Relative Intensity
52.70587	0.2
58.00584	0.6
59.01380	6.8
60.99322	1.1
61.98836	2.5
68.99806	0.3
71.01393	3.3
71.05016	0.4
72.99297	0.4
73.02966	0.4
75.00874	0.4
77.70672	0.2
78.95901	0.7
83.01399	0.2
85.02953	0.8
87.00887	0.2
89.02454	2.6
95.01375	0.3
96.96033	0.6
96.96999	0.2
101.02452	2.2
101.06088	0.2
103.92033	0.5
113.02464	1.2
119.03507	0.9
119.08658	0.3
137.09653	0.2
152.99562	0.2
163.03629	0.2
169.96970	0.3
171.10233	0.2
218.66388	0.2
363.27081	0.3
379.30280	0.2
389.28513	0.3
391.30298	0.4
393.31778	0.2
397.31317	0.2
407.29413	0.6
409.31122	0.6
425.30591	0.3
433.30795	0.5
437.30618	8.1
438.30905	1.4
454.30698	0.6
455.31689	12.5
456.32126	2.4
471.31198	0.9
472.31631	0.2
473.32590	0.5
499.30594	5.7
500.30954	1.0
517.31689	24.2
518.32050	4.5
559.32758	3.1
560.33301	0.6
616.22437	0.7
679.37201	100.0
680.37512	24.6
697.38361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3726
Annotation	2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,24-diene-22-one
Peak:m/z	Relative Intensity
55.01897	0.4
57.03465	0.6
58.00612	0.8
58.32451	0.3
59.01383	9.5
60.99319	0.6
61.98834	12.5
62.73935	0.3
64.55636	0.3
68.99847	0.3
71.01389	4.7
71.05025	25.3
71.73465	0.2
72.05376	0.5
72.99336	0.8
73.02984	1.0
75.00900	0.7
82.39751	0.2
83.01417	0.6
85.02956	1.3
87.00902	0.6
88.98825	0.5
89.02457	3.2
93.03474	0.3
95.01437	0.5
96.96066	0.8
97.67127	0.2
99.00940	0.3
101.02458	3.2
101.06128	0.6
107.78118	0.3
109.02988	0.3
111.00920	0.4
113.02478	2.2
116.92915	1.2
119.03543	0.7
123.00951	0.3
125.02467	1.6
125.06086	0.3
133.01489	0.3
137.02490	0.3
161.04652	0.4
167.03476	0.3
169.01505	1.2
183.10352	0.5
225.14937	0.3
227.13161	0.3
302.07239	0.3
363.27304	0.3
375.27100	0.4
381.28540	0.3
383.25797	0.6
391.30148	0.6
401.27069	2.2
402.27563	0.3
407.29565	0.4
409.31165	0.6
421.27350	0.6
435.29321	0.5
437.30615	6.5
438.30942	1.4
451.32312	0.9
455.31659	5.3
456.32172	1.1
457.29840	0.9
469.33591	0.3
471.31540	0.4
473.32764	2.8
499.30090	1.4
517.31659	35.9
518.32056	6.8
539.81671	0.3
559.32849	3.5
560.33130	0.9
616.34436	2.1
617.32837	1.1
619.33942	0.5
679.37225	100.0
680.37537	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	679.3724
Annotation	2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,24-diene-22-one
Peak:m/z	Relative Intensity
57.03441	0.3
58.00589	0.5
59.01379	7.5
60.01735	0.2
60.99315	0.5
61.98830	100.0
62.63593	0.2
71.01387	4.9
71.05036	0.7
71.07153	0.5
72.99313	0.5
73.02948	0.5
75.00880	0.3
78.95930	0.4
80.96509	0.5
83.01381	0.4
83.05054	0.2
85.02968	1.4
88.98836	0.5
89.02456	3.4
95.01408	0.5
99.00932	0.3
101.02461	2.7
111.04544	0.2
113.02470	1.8
116.92884	1.2
119.03529	1.0
125.02477	0.6
131.03528	0.4
135.04552	0.3
137.02473	0.2
139.11229	0.2
149.04575	0.5
152.99695	0.2
161.04596	0.5
163.03955	0.4
168.24730	0.2
169.01425	0.5
171.10284	1.2
172.10583	0.4
177.01997	0.6
179.03429	0.3
179.05588	0.3
183.13884	0.3
197.11873	0.2
201.11261	0.2
205.16005	0.3
209.11880	1.3
210.12173	0.7
227.12793	0.2
229.54645	0.2
303.36691	0.2
362.28543	0.2
377.89850	0.2
389.28720	0.2
433.31021	0.2
437.30600	3.1
438.31006	0.8
455.31625	3.8
456.32047	0.7
457.29810	0.3
473.32736	2.1
474.33173	0.4
487.33270	0.7
499.30841	1.1
513.32214	0.3
517.31653	34.6
518.31982	6.6
547.57294	0.2
559.24274	0.3
559.32825	4.9
560.32947	1.1
589.33789	0.3
590.33691	0.2
616.34442	1.2
617.35309	0.4
619.36414	0.6
679.37201	35.8
680.37573	9.5
697.38031	0.3
698.38385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94929	0.5
54.61109	0.5
59.01379	2.7
61.98838	0.7
67.01881	0.8
69.03453	1.5
71.01377	3.4
71.74442	0.8
79.01933	1.1
83.88697	0.5
85.02968	1.2
87.00899	0.6
87.65751	0.5
89.02444	1.4
95.01411	1.9
97.02975	1.5
101.02480	1.4
107.01398	12.0
109.02989	1.0
111.00907	2.2
113.02468	1.4
114.69747	0.5
115.87983	0.6
119.03587	0.5
123.00898	11.4
123.04488	0.6
124.01653	1.8
125.02465	69.2
126.02819	1.8
127.00372	0.6
134.03632	0.6
135.04588	0.5
136.98853	1.5
137.02469	1.9
139.00397	4.1
139.04016	1.7
140.01195	3.3
141.01947	1.4
145.02985	0.9
147.04492	0.6
149.02464	2.5
150.03265	6.3
151.00401	5.2
151.03946	1.7
153.01964	0.8
153.05634	0.7
161.02461	0.9
162.03230	1.4
163.04016	2.2
164.04759	0.9
165.01942	0.8
165.05603	6.8
166.99866	2.1
168.00676	7.6
169.01445	100.0
170.01822	4.8
177.05518	0.6
179.03493	1.0
181.01447	1.4
182.02138	1.3
183.03008	7.0
195.06660	1.9
201.33461	0.6
210.01561	0.6
211.02487	5.3
223.02373	0.5
225.04022	1.6
241.03500	0.7
271.04575	2.7
274.34326	0.7
285.06125	1.9
297.06094	1.3
301.00018	0.9
313.05640	10.4
314.05881	1.1
327.07321	0.6
329.06604	1.0
337.35590	0.6
347.07770	0.7
385.07599	1.2
465.06787	1.6
479.11996	8.2
480.12189	0.7
491.12109	1.4
502.85684	0.6
509.12991	1.5
527.14014	33.9
528.14331	4.1
631.13202	1.5
651.50830	0.6
661.13751	1.2
679.15338	85.3
680.15753	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	677.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10984	0.2
55.01880	1.1
57.03447	1.1
58.00589	1.9
59.01380	37.6
60.01699	0.3
61.98837	2.6
66.81750	0.2
67.01894	0.2
68.99807	0.4
69.03459	2.6
69.83075	0.5
69.83494	0.9
71.01385	35.5
72.01733	0.6
72.99307	2.8
73.02954	5.8
75.00876	0.9
78.95909	1.7
80.79155	0.2
81.03468	1.4
82.95414	0.5
83.01391	4.7
83.05025	0.5
85.02960	7.8
86.00132	0.3
87.00885	8.6
87.01422	0.4
89.02452	30.4
90.02786	0.7
91.04028	0.6
93.03499	0.3
95.01398	2.8
97.02960	6.5
97.06591	0.2
99.00896	2.4
99.04523	0.4
101.02454	29.2
102.02789	0.6
103.00357	0.3
103.03959	0.4
103.82036	0.2
109.02950	0.8
111.00891	0.7
111.04552	1.1
113.02465	14.5
114.02785	0.4
115.04049	0.7
119.03511	8.9
120.03828	0.4
121.02966	0.8
123.00909	0.4
123.04559	0.2
124.01680	0.4
125.02462	13.2
126.02734	0.3
126.91396	0.2
127.04062	0.5
129.01907	0.3
131.03539	1.8
133.05110	1.3
137.02425	0.4
139.03999	1.3
141.01947	0.7
143.03525	5.2
144.03845	0.2
149.02534	0.4
149.04558	1.0
151.04013	0.3
152.99579	0.6
161.04575	7.5
162.04961	0.2
163.04056	0.2
167.03510	0.7
169.05078	0.5
171.02946	0.5
179.05620	6.7
180.06061	0.4
185.04568	0.5
199.06256	0.3
203.05704	0.5
209.11841	0.3
210.12299	0.3
211.13443	0.3
217.07225	1.1
219.05115	0.6
221.06624	2.3
235.08217	13.8
236.08571	0.6
245.06660	1.0
253.09264	2.8
261.22214	0.5
263.07706	1.4
277.09341	1.1
279.23279	100.0
280.23627	11.2
287.07721	3.1
287.79068	0.2
288.08029	0.4
293.24936	0.5
305.08743	4.4
306.08972	0.2
313.28922	0.2
323.09839	1.6
357.27649	0.2
361.11453	0.3
379.12387	0.9
380.12720	0.3
397.13507	87.2
398.13849	8.7
398.19119	0.4
415.14566	33.3
416.14905	3.5
529.49139	0.2
677.36603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27067	0.7
55.01886	0.8
56.09365	0.6
57.03455	2.3
59.01381	20.0
60.77526	0.7
60.99300	1.3
61.98833	92.7
71.01386	13.8
71.05026	5.4
71.05999	1.4
72.99311	2.3
73.02966	1.8
75.00900	0.8
81.01391	0.7
81.03457	1.0
83.01387	2.3
83.05017	3.2
83.39091	0.7
85.02969	4.8
87.00900	2.0
88.98828	2.6
89.02446	9.3
89.14012	0.6
93.30424	0.7
95.01402	0.8
96.96043	0.8
97.02988	1.1
97.06602	2.0
99.00906	1.5
101.02454	9.3
107.01412	0.7
109.06585	1.0
111.00919	1.0
111.08199	0.7
113.02464	6.9
116.92867	1.9
119.03490	2.8
119.05053	0.8
121.02966	1.8
123.00886	2.6
125.02479	5.2
127.07703	0.7
131.03517	0.8
135.08234	0.7
137.02451	1.4
139.00366	0.8
140.01129	0.7
143.03444	0.8
151.00383	2.3
151.11299	5.9
161.04610	1.9
163.00441	0.8
163.04106	1.0
163.11243	0.9
168.00644	0.8
169.01443	5.4
169.12358	27.5
170.12708	1.9
171.10297	6.3
173.09756	1.8
177.01936	1.0
179.03416	0.7
179.05623	1.3
189.12822	2.3
191.03438	0.8
199.09708	1.1
201.11311	8.8
209.11855	15.4
210.12088	1.9
211.02510	2.0
213.11404	3.2
227.12895	2.5
232.41321	0.8
253.09279	2.0
269.95569	0.7
271.04416	0.9
285.04050	1.1
373.29077	2.5
375.27023	6.8
376.27011	1.1
389.28409	1.0
391.30093	43.3
392.30536	8.7
393.27786	1.7
407.29709	5.2
409.31155	7.3
410.31403	1.7
435.29031	5.0
449.20352	1.5
453.30090	87.2
454.30505	15.7
455.28363	1.3
467.31741	1.1
471.31064	6.9
472.31705	1.2
485.30832	2.3
495.31293	7.6
496.31363	1.7
515.29968	12.8
516.30231	2.5
557.31201	1.4
587.23224	0.9
614.32343	1.1
615.34161	29.7
616.36542	0.9
617.35388	5.8
618.35278	0.9
633.30951	7.1
634.32098	1.6
659.24463	0.9
659.32898	18.6
660.32721	5.1
677.35400	100.0
678.35748	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3565
Annotation	Hovetrichoside H
Peak:m/z	Relative Intensity
50.01303	0.3
52.77855	0.3
57.03450	0.7
58.00587	1.2
59.01080	0.7
59.01378	13.2
60.99303	1.5
61.98831	18.9
63.02813	0.3
69.39241	0.7
69.39655	2.7
71.01387	6.3
71.05024	10.5
72.99309	0.8
73.02948	2.6
75.00878	0.7
78.95915	0.7
81.03474	0.4
83.01379	1.4
83.05029	0.9
85.02962	2.3
85.06588	1.4
86.00095	0.8
87.00874	0.7
87.04502	0.3
88.98810	1.2
89.02457	3.5
93.03471	0.3
95.01419	0.9
96.96038	0.5
97.88979	0.3
99.00868	0.6
101.02459	3.3
109.02956	0.4
109.06627	0.5
109.67983	0.3
111.00911	0.5
113.02470	2.3
116.92878	0.7
119.03532	0.4
119.05010	0.4
119.08674	2.1
121.02975	0.3
123.00893	0.3
123.04532	0.5
123.08177	0.6
125.02436	1.4
127.02097	0.4
127.04021	0.3
127.07697	0.3
131.03531	0.4
132.91273	0.3
135.04553	0.4
137.02478	1.5
151.00299	0.4
160.04031	1.0
161.04529	0.5
163.07671	0.4
165.04071	0.6
165.05548	0.5
166.82042	0.3
167.03465	0.4
169.01379	0.8
169.12384	0.6
171.10295	1.0
191.05583	0.4
204.11856	0.3
209.11823	2.6
210.12302	0.5
227.03410	0.4
227.12842	0.7
255.02943	0.5
284.03250	1.0
285.03961	0.5
289.19562	0.6
293.19037	0.4
305.22742	1.4
357.13483	1.8
359.23788	0.5
361.16833	0.4
372.15900	0.3
375.26834	1.7
383.66187	0.3
391.30081	1.2
393.28049	0.8
397.27426	0.4
405.28299	0.5
409.31104	1.3
419.26038	1.0
423.29312	0.6
425.30676	0.4
435.29004	4.6
436.29434	1.1
441.30353	0.8
453.30014	7.0
454.30450	1.5
469.29712	0.5
470.30453	2.6
471.31140	29.8
472.31473	5.6
485.31198	0.3
497.29022	0.5
501.76926	0.4
503.30188	1.2
515.24146	0.3
515.30121	12.5
516.30725	1.9
557.31244	13.2
558.31488	2.7
587.31335	1.0
597.41266	0.4
599.32092	0.5
617.34192	2.9
618.33685	0.5
641.35455	1.3
677.35596	100.0
678.35956	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	677.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32062	8.1
57.40718	8.3
59.01378	29.4
59.75837	6.9
61.98828	100.0
69.47065	92.1
70.30010	7.3
71.01398	10.4
78.95907	81.8
89.02444	7.8
92.67345	7.3
98.19798	16.3
142.41615	7.6
152.99623	43.9
157.12233	9.5
201.11368	19.3
207.10229	8.0
209.11815	35.9
211.13454	99.9
227.12866	11.0
295.22925	16.5
431.22058	12.9
447.22134	20.8
614.99036	9.8
659.34906	19.4
676.13934	9.5
677.36035	76.1
678.35657	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	677.341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54539	0.5
51.76497	0.5
55.01893	0.6
57.03450	0.6
59.01385	10.6
61.98832	46.8
69.42108	4.7
69.42519	0.8
71.01389	8.5
71.05024	1.1
72.99307	0.8
73.02950	1.4
75.00897	0.6
75.54791	0.5
78.95934	0.6
80.02673	0.7
80.91682	1.6
81.03462	1.0
83.01388	1.2
83.05040	4.3
84.02175	0.7
85.02962	2.5
85.93907	0.6
86.00174	0.5
87.00890	1.5
88.10610	0.5
88.98816	0.9
89.02447	4.4
95.01418	0.9
95.05058	0.5
96.96028	1.0
97.06596	1.0
101.02464	5.2
107.01418	0.7
109.06619	0.8
111.00932	1.1
113.02476	3.5
116.92906	0.9
119.03501	0.9
121.02969	0.6
123.00919	2.5
125.02451	3.8
125.06109	0.7
125.09752	1.4
127.11324	1.6
131.03558	0.9
134.05128	0.5
136.16789	0.5
139.00458	0.8
139.04080	0.6
140.01152	0.6
143.03528	0.6
151.00404	1.2
153.01884	0.7
153.09238	0.7
161.02435	0.5
161.04611	2.2
163.11334	3.8
165.05576	0.7
165.12883	2.1
168.00694	0.7
169.01471	3.8
169.12366	3.7
171.10289	100.0
172.10649	5.3
177.01923	1.8
179.05582	0.8
181.12390	1.3
183.13925	6.1
184.14304	1.1
185.11870	0.6
191.05539	0.8
191.10785	1.0
195.13934	2.2
197.11882	1.2
199.07596	0.6
199.13260	0.5
200.23613	0.5
201.11383	0.7
207.10185	0.5
209.11842	91.0
210.12218	8.3
211.13434	1.6
213.14967	15.8
214.15292	0.8
227.12881	14.2
228.13176	1.8
229.14529	0.8
230.14799	0.6
235.08257	3.8
253.09300	6.4
279.19662	1.5
285.04254	0.6
316.24182	0.6
402.14810	0.5
407.19254	3.5
445.20667	3.2
453.30066	1.1
463.21960	0.5
463.31454	0.9
471.30878	0.8
485.31387	1.6
514.33301	0.8
515.29816	11.2
516.30646	2.2
610.95612	0.5
614.32916	1.1
615.34003	22.0
617.35382	1.9
633.38727	0.7
659.32983	3.2
677.35181	7.5
678.34973	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	677.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71360	1.1
57.03456	1.8
57.49345	1.0
59.01379	18.7
61.98835	19.7
71.01387	10.3
71.74511	2.4
72.99328	1.1
73.02951	3.1
74.99130	1.0
80.05064	2.2
82.03004	3.6
83.01387	2.0
83.05058	1.2
84.95655	1.1
85.02977	3.2
87.00915	1.6
88.98825	2.0
89.02458	4.9
94.02995	46.4
94.06656	4.9
96.04572	2.5
96.96030	4.5
99.92580	1.2
101.02464	6.7
104.05074	1.6
105.05849	1.9
106.06663	2.9
107.01413	2.2
107.03772	6.3
108.04600	2.6
109.02987	1.4
110.06153	1.5
111.00899	1.9
113.02477	3.3
116.92889	4.2
119.03573	1.5
120.08215	30.8
121.03003	1.4
122.06144	41.6
123.00900	5.2
123.04539	1.3
123.06522	1.1
124.07685	1.7
125.02472	16.6
126.02798	1.6
129.02014	1.2
132.04568	5.1
134.06149	9.7
135.06860	1.1
136.04071	1.3
136.98975	1.3
137.02475	2.3
138.05644	17.8
139.02782	2.0
141.09309	1.2
146.06116	1.3
150.05659	3.5
151.00406	3.2
152.07198	100.0
153.07550	4.1
159.55951	1.1
160.04053	1.6
161.04781	1.3
162.05537	1.1
164.03531	1.4
164.07204	3.4
165.05589	1.5
166.05043	1.2
167.03540	1.7
167.07179	5.4
169.01454	18.7
170.01843	1.3
171.01897	2.3
174.05640	1.9
176.03394	1.3
190.05081	5.4
195.06549	1.2
211.08847	1.5
211.12375	1.3
221.10950	1.2
223.08737	7.8
224.09532	4.8
225.10403	3.9
227.12955	1.5
235.12395	2.6
236.09447	2.4
237.10332	13.6
238.11037	4.0
239.11923	9.6
240.12248	1.5
245.12962	5.6
249.06812	2.7
249.10254	2.2
251.08257	3.1
251.11859	7.3
252.12532	1.1
253.13309	1.4
263.08292	5.9
263.11847	1.7
264.08942	7.2
265.09732	8.2
267.11456	2.1
271.10724	3.3
276.09030	1.5
277.09821	5.5
278.10513	3.4
279.11386	33.0
279.14365	2.1
280.11926	7.7
281.12930	2.5
283.10733	1.3
285.12521	1.3
291.11475	9.6
292.12140	3.5
295.10812	5.5
297.12341	1.7
305.09332	1.8
307.10590	1.2
311.14243	1.5
313.11871	3.0
322.09677	1.3
323.10345	10.1
324.10901	6.1
325.11813	5.2
355.13068	2.8
376.16330	2.6
388.16599	2.4
389.17218	1.7
390.18033	1.5
402.18253	10.0
403.19000	3.2
404.19885	2.4
417.20706	2.5
417.88925	1.1
427.18863	1.7
444.19211	10.6
445.19894	3.1
448.18851	6.3
449.19559	2.7
461.19696	5.1
462.20297	4.4
470.30643	1.5
471.17987	2.4
488.18286	13.5
489.18900	14.7
490.19595	3.1
515.29321	1.8
520.20850	22.4
521.21100	4.6
525.23419	9.6
526.23608	1.6
541.24530	11.3
542.24548	1.4
583.25964	7.6
584.26019	2.0
585.23541	23.4
586.23743	6.1
587.10474	2.7
601.26733	7.7
615.21436	1.4
617.26184	38.2
618.26520	7.3
627.24664	25.3
628.24933	6.0
641.37152	1.5
645.25763	95.8
646.26135	24.5
659.27142	16.2
660.27637	4.6
676.36792	1.4
677.27869	33.3
677.36865	18.4
678.27716	8.0
678.38031	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	677.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01125	1.4
59.01380	16.2
61.98832	49.0
69.65326	1.3
71.69566	1.4
78.95907	4.9
79.56592	1.4
82.68853	1.4
84.59531	1.3
91.04027	1.6
100.31413	1.6
108.66318	1.3
152.99635	1.8
177.70898	1.3
223.13371	1.7
272.90121	1.3
293.21161	11.0
327.21744	2.0
361.26645	1.4
397.52982	1.5
481.15240	12.9
482.15219	2.5
495.16739	4.4
496.16760	1.6
511.16254	1.7
539.15369	2.2
540.16321	5.1
541.16827	1.7
555.19055	16.5
556.18927	4.5
572.15375	5.4
573.16162	2.1
641.22681	23.3
642.12457	2.1
642.22260	7.8
677.20367	100.0
678.20618	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01378	4.5
61.98831	30.0
63.02396	0.5
65.00332	1.3
69.03472	0.4
71.75876	0.4
73.02943	0.5
83.01417	0.9
83.05026	0.3
85.02965	1.0
87.00900	0.3
88.98810	0.9
89.02461	1.3
93.03493	0.6
94.94641	0.3
95.01439	0.4
97.06637	0.3
99.00928	0.4
101.02455	1.6
107.01420	2.5
109.02940	0.5
111.00890	0.4
113.02462	1.4
116.92908	0.3
117.03462	3.1
119.03530	0.5
119.05025	1.9
120.02155	0.3
121.03000	0.3
123.00908	0.7
125.02476	0.6
129.01906	0.3
132.02202	1.1
135.00905	1.4
141.03419	0.3
143.03452	0.4
143.05072	0.7
145.02982	6.0
146.03435	0.5
147.08141	0.3
150.03215	0.4
151.00391	3.8
151.11224	0.4
153.01888	0.3
155.04985	0.6
159.04572	1.5
161.04616	0.4
163.00412	1.3
163.04015	1.3
163.11279	0.4
164.01202	0.6
165.12842	0.4
167.05141	0.4
169.01439	1.1
169.12375	0.6
171.04520	0.5
171.10292	3.5
177.01962	0.9
178.99872	0.4
179.05667	0.4
182.03828	0.6
183.04530	3.5
183.13934	1.4
184.05167	0.3
184.14188	0.4
185.02454	1.0
185.06064	0.8
185.11737	0.4
187.04015	1.5
188.08313	0.3
189.05653	0.4
191.05699	0.5
195.04497	0.7
199.04016	0.8
199.13437	1.3
200.04773	0.4
201.11353	1.1
203.11833	0.3
209.11845	7.2
210.12109	1.6
211.04004	3.9
211.13448	3.9
212.04552	0.4
212.13799	2.1
213.01849	0.4
213.05437	0.7
213.13889	0.3
223.03918	0.6
227.03500	42.1
227.12843	2.0
228.03873	3.7
228.13078	0.4
229.05031	2.2
229.14330	0.4
231.15979	0.4
235.08220	0.4
239.03491	1.4
241.05106	0.6
253.09190	1.0
255.02972	91.9
256.03519	12.3
257.04526	1.9
267.02951	0.5
268.03690	0.5
269.04468	0.4
272.69000	0.4
283.02475	15.6
284.03247	100.0
285.03922	24.4
286.04327	2.3
293.04599	0.5
296.03259	0.5
297.04138	0.4
309.04028	0.6
321.04190	0.4
337.23770	0.6
411.07257	0.9
423.29599	0.4
453.08148	0.9
453.29822	0.6
455.31741	0.5
471.09344	1.0
471.34683	0.6
472.35452	1.7
473.35492	3.9
474.35602	0.8
485.31644	0.6
503.33630	0.5
513.10083	0.5
515.30676	0.5
517.31671	0.4
531.11255	3.3
532.12036	0.4
543.95605	0.4
557.10864	5.7
558.11237	1.0
575.11920	1.0
615.34161	1.4
617.13171	9.6
617.36523	1.5
618.13373	1.8
635.14075	1.1
659.32227	2.0
676.36505	0.6
677.15302	59.6
678.15619	13.0
684.84387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
59.01371	4.9
59.84259	0.3
61.45480	0.3
61.98830	21.7
63.02397	0.8
65.00328	1.3
68.96430	0.3
69.46034	3.3
83.01401	0.8
83.05001	0.7
85.02940	0.7
89.02464	1.1
91.01927	0.4
93.03442	1.7
101.02451	0.9
107.01414	3.6
108.02218	0.4
109.02975	0.8
112.98795	0.3
113.02438	0.5
116.92884	0.5
117.03469	2.0
119.05050	3.5
120.43359	0.3
121.03016	0.3
125.02431	0.6
132.02190	1.5
135.00897	1.5
137.02440	0.5
142.99881	1.0
143.05060	0.6
145.02968	6.3
145.06581	0.5
146.03343	0.4
151.00383	5.4
153.01955	0.6
157.06625	0.9
159.04506	1.3
161.04591	0.6
163.00383	3.1
163.04016	1.3
164.01198	0.9
165.01941	0.5
165.12846	0.5
167.05083	0.7
169.01443	0.7
169.06555	0.5
169.12344	0.8
171.04474	0.6
171.10301	0.8
173.00974	0.7
177.01997	0.6
183.04526	2.4
183.13918	4.0
184.05089	0.4
184.14244	2.5
185.02403	1.0
185.06122	2.2
185.11902	2.2
185.14447	0.3
186.12178	0.9
187.04007	2.7
189.05576	0.9
195.04518	0.8
196.05275	0.6
197.06030	1.3
197.11748	0.5
198.03328	0.4
199.03955	1.6
200.04739	1.1
201.05499	0.6
207.10249	0.4
209.11829	1.6
210.12071	0.5
211.03976	5.1
211.13420	2.2
212.04739	1.3
212.13725	1.0
213.01903	0.4
213.05583	1.5
213.14119	0.4
215.03526	0.4
227.03494	53.6
227.12912	0.6
228.03842	4.8
229.05040	8.6
230.05385	0.6
239.03593	2.0
240.04163	0.8
241.05031	1.4
243.02971	0.4
253.09250	0.5
255.02969	97.7
256.03546	17.7
257.04480	7.4
258.05002	0.4
267.02930	1.2
283.02475	3.9
284.03244	100.0
285.03989	72.5
285.07373	0.8
286.04376	5.6
391.10376	1.3
420.04559	0.3
455.31860	0.9
470.96619	0.3
471.30927	0.8
513.84265	0.4
515.29852	2.5
517.31415	0.8
531.11456	4.9
532.11542	0.8
597.33557	0.7
613.32782	0.3
615.33966	0.5
617.13098	1.2
617.46539	2.5
632.33386	1.3
633.34155	0.7
635.13922	1.0
658.35303	1.9
659.35022	2.3
676.36310	1.5
677.15314	98.8
678.15656	22.0
679.37140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54456	0.4
55.01870	0.7
56.53344	0.4
57.03438	1.9
58.00603	0.9
59.01378	65.7
60.01713	1.0
61.98826	4.2
64.24578	0.5
65.00332	0.5
69.03473	0.9
69.43081	3.5
71.01387	12.7
72.99323	1.3
73.02959	4.6
74.99116	0.7
79.01886	0.6
81.03451	0.5
83.01387	2.5
83.05022	0.6
85.02959	4.2
87.00895	1.5
88.98814	0.5
89.02457	6.0
93.03490	0.6
95.01375	2.3
96.96038	1.1
97.02936	1.0
98.20689	0.6
99.00913	0.7
99.04539	1.2
101.02454	8.3
101.06093	0.8
107.01394	2.4
109.02996	0.8
110.00230	0.4
111.00911	2.0
113.02470	5.5
116.92865	3.1
119.03502	2.2
119.05074	0.4
120.99667	0.9
121.02966	0.7
123.00899	6.9
123.08165	0.8
124.01164	0.5
124.01768	0.8
125.02467	17.9
126.02811	2.3
127.00400	0.4
127.02972	0.5
128.83937	0.4
131.03505	0.9
135.04497	0.6
136.99016	0.6
137.02429	1.1
138.05815	0.4
138.06891	1.4
139.00389	2.2
139.04036	0.8
140.01184	2.6
141.09256	1.4
143.03519	0.5
149.02438	0.4
149.09744	1.0
149.99640	0.5
150.03256	0.5
151.00410	3.5
152.00916	0.5
153.02029	0.9
153.09283	1.4
161.04614	1.4
163.04004	0.5
163.11317	0.5
165.01929	0.5
165.05588	0.7
165.12871	0.9
166.06378	0.6
166.99831	0.4
167.10800	1.5
168.00656	3.7
169.01442	20.5
170.01794	1.9
171.01913	0.9
177.01974	0.7
179.05684	0.4
180.04199	0.6
181.08739	0.6
181.12469	0.5
183.03000	1.0
184.03297	0.5
189.12801	0.9
195.06512	0.5
195.13995	0.4
200.99165	0.4
207.13994	1.5
209.11845	3.4
211.02461	1.9
215.57596	0.4
225.07800	0.5
225.14970	4.6
227.12898	17.6
228.13222	1.4
243.16037	3.2
267.10388	0.4
269.13953	1.1
271.04660	1.2
284.83002	0.5
287.15018	1.2
311.50772	0.4
376.86893	0.4
387.20453	1.2
405.21265	0.6
447.22256	0.5
458.39160	0.4
475.19711	0.5
479.17950	1.0
483.29645	4.6
484.30051	1.1
493.19971	0.5
615.34021	4.1
616.34613	0.6
645.21045	8.5
646.21790	1.6
652.21429	0.4
657.21210	5.0
657.35260	2.3
658.35590	0.7
675.23267	20.9
675.36407	100.0
676.23724	3.8
676.36499	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	675.3622
Annotation	Hirsutatin A
Peak:m/z	Relative Intensity
52.41368	0.2
54.88735	0.1
55.01886	0.2
57.03448	0.4
58.00592	0.2
59.01380	4.8
59.63040	0.1
60.01713	0.2
61.98830	2.7
64.99036	0.1
65.00315	0.4
67.01900	0.7
69.03468	0.8
69.49770	1.6
71.01388	2.9
72.99314	0.4
73.02956	0.8
73.48338	0.1
75.00858	0.1
79.01910	0.9
81.03455	0.2
83.01405	0.7
85.02947	1.1
87.00896	0.4
88.98848	0.2
89.02464	1.0
95.01407	1.8
97.02950	0.7
99.00916	0.3
99.04517	0.2
101.02453	1.4
107.01402	4.5
107.02114	0.3
108.01721	0.2
109.02950	0.3
110.00101	0.3
111.00905	2.2
113.02479	1.2
116.92847	0.3
119.03519	0.2
121.02972	0.4
123.00905	12.1
123.04524	0.2
124.01743	0.9
125.02463	18.5
126.02804	1.3
127.00407	0.9
127.02913	0.3
135.04547	0.2
136.98825	1.4
137.02484	0.5
139.00395	3.1
139.04033	0.2
140.01178	2.9
141.01952	1.6
149.09760	0.2
150.03174	0.2
151.00389	7.8
151.04056	0.3
152.00781	0.3
153.01930	0.7
154.99840	0.2
156.93730	0.1
163.04042	0.5
165.01961	0.2
166.99896	0.2
167.03589	0.2
167.99327	0.3
168.00658	3.3
169.01440	21.0
170.01784	1.4
171.01936	0.6
179.03520	0.3
181.05087	0.3
183.02962	0.2
193.01405	0.2
209.04530	0.4
209.11906	0.3
211.02486	6.1
212.02853	0.4
227.12915	0.6
253.03435	0.2
271.04587	5.6
272.04816	0.2
285.03973	0.2
313.05573	0.8
313.68942	0.1
313.72641	0.2
314.05936	0.2
319.13135	0.2
329.83240	0.2
342.86240	0.1
359.28036	0.2
428.14722	0.2
486.63278	0.2
495.29910	0.2
557.52069	0.2
622.54510	0.2
657.34985	0.3
675.36151	100.0
676.36511	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	675.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39113	0.1
55.01880	1.7
56.99808	0.2
57.03447	1.4
58.00330	0.2
58.00597	3.1
59.01381	54.4
60.01714	0.6
61.98826	1.7
67.01871	0.3
68.99837	0.5
69.03459	2.8
71.01386	48.1
72.01720	0.8
72.99314	3.6
73.02953	7.8
73.57739	0.1
75.00864	1.2
78.95910	0.3
81.03461	2.0
83.01396	5.4
83.05029	0.5
84.01734	0.1
85.02960	10.0
86.00112	0.5
86.03332	0.2
87.00886	10.9
87.04527	0.4
88.01215	0.2
89.02455	39.4
90.02780	0.7
91.04018	1.0
91.04514	0.2
93.03478	0.5
95.01399	3.6
95.01981	0.3
95.05035	0.3
97.02966	7.7
97.68587	0.1
98.03281	0.2
99.00883	3.1
99.04533	0.5
101.02456	37.8
102.02786	0.8
103.00388	0.5
103.04015	0.4
107.01379	0.1
109.02969	0.8
111.00919	0.8
111.04550	1.3
112.01677	0.2
113.02466	19.1
114.02801	0.5
115.04035	0.8
117.01989	0.1
119.03516	10.7
121.02962	0.7
123.00909	0.5
123.04539	0.4
124.01717	0.8
125.02466	16.0
126.02817	0.6
127.04021	0.6
127.07695	0.4
129.01976	0.5
131.03532	1.9
132.03891	0.2
133.05078	1.1
137.02495	0.4
139.04037	1.5
141.01958	0.7
141.05598	0.2
143.03526	7.8
144.03867	0.3
149.02487	0.3
149.04585	1.6
152.99620	0.2
153.05574	0.2
155.03458	0.2
157.05104	0.4
159.02962	0.2
161.04576	8.2
162.04987	0.2
167.03540	1.1
169.05080	0.4
171.03040	0.4
179.05626	7.4
180.05937	0.3
181.05150	0.3
185.04535	0.8
199.06166	0.7
203.05585	0.4
217.07133	1.2
219.05074	0.5
221.06654	3.2
222.06963	0.1
230.71736	0.2
233.22729	0.5
235.08223	17.1
236.08542	0.9
245.06642	1.1
253.09273	4.2
254.09538	0.2
259.08054	0.2
259.20602	0.8
263.07663	1.7
275.20062	0.4
277.09686	1.0
277.21722	100.0
278.22064	11.1
287.07733	4.3
288.08090	0.3
291.23337	0.3
305.08817	4.5
306.09244	0.3
323.09836	2.0
324.09894	0.2
361.11462	0.7
379.12555	1.5
380.12698	0.2
386.95270	0.2
397.13519	96.3
398.13876	9.7
415.14566	37.3
416.14914	3.5
424.18402	0.2
657.34607	0.2
675.35950	0.5
676.36383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73772	0.2
55.01876	1.4
57.03438	1.5
58.00592	2.3
59.01378	39.1
60.01712	0.3
61.98828	6.1
67.01888	0.4
68.99823	0.4
69.03458	2.7
70.92838	0.3
70.93173	0.2
71.01384	40.9
72.01733	0.5
72.99306	3.6
73.02951	6.6
75.00883	1.0
78.95908	3.6
81.03456	1.4
83.01395	4.4
83.01859	0.3
83.05020	0.5
84.02191	0.3
85.02955	8.1
86.00130	0.4
87.00883	9.8
87.04533	0.4
88.01215	0.2
89.02450	33.2
90.02769	0.5
91.04015	0.8
93.03445	0.5
95.01405	2.6
95.05038	0.2
96.96973	0.3
97.02958	6.2
97.06543	0.1
99.00891	2.7
99.04530	0.6
100.17743	0.2
101.02451	35.2
102.02784	0.7
103.00401	0.3
103.04012	0.6
107.05001	0.2
109.02950	0.8
109.06586	0.2
111.00894	0.5
111.04518	1.5
113.02461	16.2
114.02796	0.5
115.04028	0.8
119.03510	10.5
121.02998	0.9
123.00863	0.4
123.04559	0.2
124.01671	0.5
125.02460	14.0
126.02745	0.3
127.04057	0.4
127.07701	0.3
129.01935	0.3
131.03517	2.1
133.05089	1.1
137.02472	0.4
139.04028	1.1
141.01938	0.6
141.97993	0.2
143.03514	6.2
144.03807	0.2
149.02505	0.3
149.04549	1.3
151.04077	0.3
152.99603	1.6
155.00079	0.2
155.03484	0.2
157.05072	0.3
161.04572	8.4
162.04869	0.3
167.03555	0.9
169.05083	0.5
171.02972	0.4
179.05624	6.9
180.05977	0.5
181.05045	0.3
185.04610	0.5
195.85211	0.2
199.06151	0.6
199.09679	0.2
203.05612	0.5
207.10225	0.2
209.11804	0.6
217.07137	1.4
219.05075	0.7
221.06651	2.4
225.11205	0.2
233.22760	0.4
235.08211	15.5
236.08560	0.7
245.06618	1.1
253.09270	4.7
254.09592	0.2
259.08124	0.3
259.20718	0.4
263.07672	2.0
275.20023	0.4
277.09558	1.2
277.21701	100.0
278.22055	10.2
278.25229	0.4
287.07730	3.9
288.08002	0.4
293.21231	0.3
295.22754	0.4
305.08759	4.4
306.09192	0.3
323.09839	1.9
361.11447	1.0
379.12448	1.2
380.12897	0.3
397.13495	97.5
398.13831	9.0
415.14548	39.4
416.14902	3.5
416.23416	0.2
657.34174	0.6
658.34015	0.2
675.35181	1.8
676.35901	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	675.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26317	1.0
55.01869	1.3
57.03434	2.5
58.00586	2.6
59.01381	100.0
60.01707	1.1
61.98835	9.2
67.01880	1.3
69.03462	2.1
69.41618	10.3
71.01384	22.0
72.99308	3.2
73.02585	1.5
73.02967	15.8
77.47972	0.9
77.64314	1.0
79.01895	1.5
81.03474	1.6
81.64669	1.0
83.01393	6.7
83.05039	1.0
85.02966	6.8
87.00887	7.2
88.98811	2.2
89.02466	7.9
93.03498	0.9
95.01397	3.2
96.96017	4.1
97.02963	2.2
98.20569	2.0
99.00898	1.4
99.04536	3.2
99.22889	0.9
101.02451	16.1
107.01399	6.5
109.02982	1.4
109.06581	1.4
110.96025	1.1
111.00909	2.5
113.02458	9.9
116.92866	2.2
119.03531	3.0
120.99671	57.0
121.02977	3.1
121.06676	1.1
122.00001	1.2
122.03738	1.2
123.00906	10.4
124.01703	1.9
125.02464	35.6
126.02792	6.6
127.02914	2.7
131.03543	1.1
135.04527	1.3
137.02452	4.5
138.03279	1.9
139.00362	2.7
139.03940	1.3
140.01125	3.1
141.01843	1.4
143.03510	1.7
145.02971	2.1
149.02466	10.3
149.04608	1.1
150.03279	1.1
151.00365	7.3
151.04022	1.7
152.00819	1.6
152.04715	1.4
153.01981	1.4
153.05577	1.5
161.04556	4.3
165.01936	4.3
165.05566	3.1
165.09149	1.7
165.12860	1.8
167.03470	1.7
167.07138	1.3
168.00644	4.7
169.01445	42.3
170.01782	11.5
171.01868	5.4
173.04576	0.9
175.04027	1.1
177.01944	65.6
178.01175	0.9
178.02632	8.1
179.03481	4.0
179.05754	1.4
180.04256	2.9
181.05025	1.5
183.02998	2.4
191.03470	1.6
191.07130	1.5
192.04311	30.5
193.05028	7.1
194.05806	1.2
195.02950	4.9
195.06578	4.9
207.06596	6.3
207.13860	3.9
209.11868	7.1
210.05322	8.4
211.02502	2.2
223.06079	1.0
225.07674	13.3
225.12970	1.4
225.14972	12.4
226.07919	1.3
227.12892	54.8
228.13263	2.7
233.11841	1.9
249.07704	3.4
251.12775	2.5
269.13831	5.1
287.14969	12.1
311.09247	1.4
312.09921	1.3
313.05713	4.7
314.05829	4.4
315.06070	3.2
315.12000	1.5
324.28537	1.0
329.47171	1.1
345.13370	2.7
369.11880	4.7
387.12936	5.4
415.12256	1.3
429.13992	4.0
449.20303	1.4
466.07217	2.2
521.22491	1.3
533.58105	1.0
639.26776	4.9
657.27655	26.5
658.28412	5.7
675.20691	33.3
675.28784	97.5
676.30658	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	675.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64535	0.8
57.03456	0.6
57.74033	0.6
58.00589	3.5
59.01379	55.0
69.50732	5.6
69.51131	1.3
69.60439	0.5
70.93370	0.6
71.01395	3.7
72.99328	2.0
73.02945	3.8
83.01390	1.6
85.02945	2.4
85.12076	0.6
87.00888	4.8
99.04517	1.7
101.02442	2.3
101.47444	0.6
113.02441	0.8
118.81649	0.7
120.99670	8.0
121.02952	1.0
123.00869	0.8
125.02473	1.2
128.78110	0.6
136.01662	1.4
137.02496	3.1
138.03239	1.4
145.02988	0.8
149.02446	1.8
151.03984	0.9
152.04817	2.0
152.57439	0.6
153.05536	0.8
164.01195	1.5
165.01956	35.9
165.09248	0.7
165.12952	0.7
166.02696	3.1
167.07115	1.0
167.10822	1.1
177.01936	8.9
178.02654	1.9
179.03519	27.5
180.04300	39.7
181.04930	4.1
192.04283	6.0
193.04997	2.1
194.05882	13.0
195.02899	2.2
195.06636	61.7
196.07011	3.4
207.06601	1.2
207.13878	2.3
209.11903	3.7
210.05365	3.9
225.07680	22.8
225.14943	7.9
226.08043	1.6
226.15265	0.8
227.12888	31.9
228.13196	2.5
233.11766	1.1
237.65695	0.7
251.12859	0.9
269.13925	2.4
283.83484	0.7
287.14951	3.7
339.10980	4.5
357.11780	1.3
369.11960	0.9
387.13062	1.5
399.12949	5.0
400.13068	0.9
406.67496	0.7
424.04156	0.7
429.13913	0.8
553.41058	0.9
587.85468	0.7
627.26569	2.7
639.26654	1.1
657.27826	16.6
658.27972	2.9
675.28809	100.0
676.29297	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	674.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62507	0.2
59.01389	0.4
60.53131	0.2
61.98830	100.0
63.99258	0.2
69.10539	0.2
71.01355	0.2
78.60303	0.2
78.95908	4.8
96.96975	0.7
109.06606	0.2
112.98045	0.2
135.85211	0.2
152.11421	0.2
152.99612	3.3
207.10341	0.3
209.11893	0.9
211.13478	0.7
223.13351	0.2
225.11337	0.6
227.12996	0.4
274.20090	0.2
293.21140	1.2
294.21640	0.3
356.23978	0.2
362.11014	0.2
363.12576	0.2
420.66162	0.2
429.20874	0.2
458.08496	0.2
471.35083	0.3
657.34863	0.2
674.35870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.8
59.01380	5.6
61.98846	2.9
63.96229	0.6
67.01878	1.0
69.03477	1.3
71.01391	7.0
71.52390	1.0
72.25068	0.6
72.99326	1.1
73.02934	1.8
79.01884	0.9
83.01388	1.8
85.02953	2.0
87.00890	3.0
89.02451	1.7
93.03452	1.2
95.01394	2.7
97.02959	1.8
99.00891	1.0
101.02458	4.3
102.02803	0.7
104.88457	0.5
107.01410	10.4
108.02184	1.7
109.02992	3.1
111.00867	2.4
113.02456	2.7
120.01273	1.4
120.99651	1.2
121.02975	3.6
122.03749	2.9
123.00093	0.9
123.00915	15.3
123.04533	1.0
124.01669	1.8
125.02467	56.7
126.02801	1.4
127.00354	0.9
131.03485	0.5
132.99664	0.6
135.04539	1.2
136.98825	1.9
137.02496	3.1
139.00378	5.1
139.04005	2.0
140.01181	4.0
141.01936	1.3
147.04526	1.7
149.02483	0.8
149.06075	1.3
150.03218	1.5
151.00421	9.7
151.03979	1.4
152.01132	2.0
153.01891	1.8
161.04559	1.5
161.06061	1.0
164.01288	0.8
164.04776	0.9
165.01964	3.2
165.05595	8.3
166.02699	0.6
167.03545	3.0
168.00685	6.4
169.01457	64.9
170.01781	2.4
177.01976	0.6
179.03471	2.6
179.07173	2.5
180.04369	1.1
181.04990	0.7
183.02982	5.0
183.10368	0.8
191.07149	0.6
195.06677	4.2
211.02509	1.6
219.06526	1.0
223.02423	0.8
227.12827	0.6
241.03455	0.9
253.10831	0.8
297.06253	0.8
300.99860	0.8
305.06738	5.3
306.06955	0.6
312.05045	0.6
313.05664	15.4
314.05905	0.9
315.12289	0.7
327.07193	1.4
343.11829	0.7
346.14127	1.5
347.15027	4.2
347.22290	0.6
361.16663	7.2
362.16904	1.0
483.29492	1.3
494.76804	0.7
615.34021	2.4
626.37640	0.6
627.25018	0.8
675.23065	100.0
675.31427	4.6
676.23486	18.0
676.34747	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	673.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68831	0.3
57.03461	0.4
58.00587	0.3
59.01382	4.3
61.18207	0.3
61.98826	8.6
69.03461	0.4
69.18662	0.3
71.01383	5.9
71.15163	0.7
71.15512	0.3
73.02953	1.1
79.33720	0.3
83.01407	0.4
83.05028	0.7
84.78057	0.3
85.02951	1.2
87.00886	1.0
89.02445	2.8
95.01411	0.6
95.05016	0.5
97.02969	0.4
97.06596	0.6
99.00889	0.3
101.02444	3.4
107.69845	0.3
109.06606	0.6
111.08186	1.0
113.02460	2.5
119.03485	0.7
133.05121	0.5
143.03465	0.3
145.05141	0.3
161.04579	1.2
163.11249	0.8
165.12863	10.0
166.13219	0.6
171.10286	0.9
179.05600	0.5
183.13908	100.0
184.14249	6.7
185.11974	0.4
194.66873	0.3
199.09801	0.7
199.13406	0.4
201.11374	0.4
207.10338	2.0
209.11850	8.0
210.12131	0.6
211.13422	6.0
212.13600	0.3
215.12927	0.5
225.11266	1.5
227.12888	7.3
228.13261	0.5
235.08112	1.6
253.09283	2.6
319.23099	0.3
401.23358	0.5
419.23038	0.6
445.20599	1.0
447.21951	0.5
461.20319	0.4
463.21805	3.1
464.22440	0.4
511.29361	0.6
571.82587	0.3
602.90149	0.3
611.31824	0.4
620.86957	0.3
629.35529	3.5
630.35651	0.9
637.32086	0.9
655.33307	5.0
656.34003	1.0
673.34564	73.2
674.34937	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	673.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69802	0.1
55.01874	0.3
57.03453	0.1
59.01379	2.3
60.13365	0.1
62.17792	0.1
64.90937	0.1
69.03442	0.1
70.47362	0.4
71.01385	2.1
71.05037	0.2
72.99287	0.1
73.02950	0.5
79.60970	0.2
80.02670	1.2
81.03464	1.3
83.01393	0.4
83.05035	5.1
84.02177	1.2
84.05381	0.2
84.69656	0.1
85.02972	0.5
87.00889	0.3
89.02456	1.5
95.01379	0.1
95.05042	0.7
97.03022	0.1
97.06590	0.3
101.02449	1.7
109.06609	0.4
113.02456	1.0
119.03507	0.5
125.06101	0.5
125.09728	0.2
135.08214	0.6
143.03540	0.2
145.05083	0.2
147.11861	0.3
150.46515	0.1
156.64737	0.1
161.04567	0.7
163.11305	4.2
164.11624	0.2
165.12840	2.2
165.14029	0.1
166.13264	0.2
171.10289	1.7
179.05566	0.2
181.10890	0.1
181.12294	0.7
185.11928	0.1
189.15016	0.1
191.10818	1.1
197.77016	0.1
199.13351	0.2
209.11835	100.0
210.12169	7.9
221.11719	0.2
227.12891	12.9
228.13214	1.1
235.08223	1.4
245.98940	0.1
247.13411	0.8
253.09274	6.0
254.09572	0.4
265.14444	0.3
274.37231	0.1
306.45923	0.1
401.23267	0.2
419.24411	0.2
445.20914	0.7
446.21475	0.2
454.05606	0.1
463.21655	0.2
611.30817	0.2
637.32544	0.5
655.33588	0.2
673.34454	0.2
695.44482	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	673.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.3
57.03442	0.6
59.01380	18.4
61.98819	0.6
67.01880	0.4
70.70946	0.9
71.01385	3.9
72.26638	0.2
72.99299	0.4
73.02955	1.9
79.01897	0.5
81.03463	0.3
83.01391	0.8
85.02956	1.7
87.00871	0.5
89.02451	1.8
95.01415	1.8
97.02944	0.5
97.06590	0.5
99.00887	0.5
99.04513	0.6
101.02471	2.6
107.01411	2.8
111.00887	1.6
113.02489	2.4
123.00900	9.2
124.01665	0.9
125.02464	12.3
126.02724	0.4
127.00346	0.4
133.88416	0.3
136.98822	1.1
139.00394	3.4
139.07654	2.2
140.01219	1.9
141.02019	1.2
149.09715	0.6
151.00391	6.3
151.07631	0.5
152.00644	0.4
153.01872	0.4
161.04552	0.4
161.09714	0.3
163.04047	0.4
165.09175	0.4
165.12799	0.3
168.00668	2.8
169.01443	15.4
170.01688	0.3
179.10794	1.4
181.05078	0.5
205.12299	0.3
207.13844	0.3
209.11806	1.7
211.02501	4.9
223.13409	1.2
225.14929	1.1
227.12921	5.7
228.13184	0.5
241.14467	5.9
242.14853	0.3
269.13925	0.6
271.04596	4.5
272.04953	0.4
287.15179	0.5
312.99908	0.3
313.05740	0.6
341.86932	0.3
349.47659	0.3
385.18668	1.0
392.88754	0.3
403.19803	0.3
643.33759	1.5
655.33459	0.8
673.34619	100.0
674.34991	21.5
674.47064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68046	0.3
53.53704	0.4
55.01874	0.6
56.01401	0.4
57.60903	0.3
58.00580	0.4
59.01381	6.9
61.98824	1.0
69.03443	0.5
71.01395	4.6
71.01773	0.9
71.02139	0.6
72.99281	0.4
73.02955	1.6
80.02668	0.8
81.03468	1.3
83.01390	0.9
83.05031	5.4
84.02171	0.7
85.02952	1.8
87.00890	1.1
89.02457	3.6
95.01419	0.6
95.05037	0.6
97.06609	0.9
99.00906	0.6
101.02455	4.8
109.06630	1.0
111.08171	1.0
113.02471	2.8
119.03512	0.9
121.57932	0.4
125.02398	0.4
125.06081	0.4
133.05093	0.8
135.08194	0.7
143.03459	0.4
161.04567	1.7
163.11293	3.7
165.12869	9.4
166.13223	1.1
169.12483	0.4
181.12431	0.6
183.13914	100.0
184.14249	7.4
187.55713	0.4
191.10867	0.6
197.12009	0.4
199.13414	0.9
207.10309	0.6
209.11839	65.0
210.12169	5.8
211.13477	0.9
225.11369	0.9
227.12910	14.8
228.13208	1.3
235.08238	4.4
253.09262	7.0
382.48285	0.4
419.22949	1.1
445.20767	2.6
463.21866	6.0
464.22400	0.7
473.45593	0.5
481.44409	0.4
605.96033	0.5
637.32526	0.5
655.33820	2.6
673.34625	77.6
674.34973	19.4
674.43335	0.6
678.07782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.2
58.00608	1.4
59.01378	10.8
61.98830	28.5
68.99817	0.5
69.03461	1.9
71.01384	53.4
71.05013	0.6
72.01711	1.3
72.99313	0.8
73.02953	2.9
78.95449	1.2
78.95911	22.1
79.95798	0.5
80.02669	1.2
80.96532	1.0
81.03452	2.0
83.01388	2.0
83.05023	4.3
84.02177	0.7
85.02962	2.9
87.00871	2.9
89.02459	4.5
93.03488	0.6
95.05029	1.3
96.96001	0.7
96.96981	1.4
97.02953	4.2
97.06592	1.1
99.00880	2.1
101.02449	8.1
107.05030	0.8
109.06594	9.9
110.03777	0.7
111.00890	0.9
111.08166	1.1
113.02457	3.6
119.03527	1.2
121.06612	0.9
123.08186	1.5
125.02480	1.4
125.09739	2.9
127.11269	1.2
133.05052	0.5
135.08171	2.4
142.02692	1.0
143.03532	1.0
145.05095	1.4
152.99603	12.4
153.12891	0.8
155.10774	1.0
161.04552	2.6
163.11295	9.6
164.11707	0.7
165.12878	3.0
167.14418	0.7
169.12297	0.6
171.10283	8.1
179.05586	0.9
181.12373	4.9
183.13907	10.1
184.24809	0.6
185.11821	2.8
189.09232	1.1
191.10713	0.9
193.12334	2.6
195.13802	0.6
197.11911	1.8
199.09740	1.1
199.13376	14.9
200.13702	0.9
201.11330	6.9
207.10272	27.9
208.10574	2.2
209.11838	57.3
210.12170	4.9
211.13402	100.0
212.13750	7.0
215.12869	1.2
225.11320	19.4
226.11649	1.8
227.12889	44.5
228.13156	3.3
229.14374	1.4
229.36176	0.7
235.08261	5.5
235.13292	0.8
236.08357	0.6
243.12389	2.2
247.13400	1.1
251.12743	0.8
253.06612	0.6
253.09279	12.3
254.09688	0.8
265.14450	0.6
277.22043	0.6
291.19705	1.5
293.21033	1.0
295.22906	0.8
311.22311	1.5
339.23111	0.8
361.10590	0.9
363.12125	2.5
364.36002	0.5
373.23837	2.0
379.11841	0.8
383.22211	2.5
391.24942	2.4
401.23203	6.7
402.23523	0.9
419.24240	3.9
420.25024	0.7
437.25449	0.6
443.19193	1.4
445.20825	1.5
447.21942	2.9
461.20203	4.3
462.20715	1.1
463.21805	7.4
471.22629	0.8
493.27899	0.9
637.32471	6.0
638.32025	1.3
655.33282	10.7
656.34143	3.4
673.34106	19.9
674.34253	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	673.2162
Annotation	Glycobismine-E
Peak:m/z	Relative Intensity
57.03444	0.5
59.01378	4.7
61.98831	3.7
63.39265	0.4
65.00359	0.4
67.01883	0.9
68.99827	0.4
69.03452	0.9
69.66368	3.4
69.66703	0.7
71.01388	4.3
72.99323	0.9
73.02964	1.2
74.99106	0.5
78.95856	0.5
79.01907	1.2
81.03475	0.7
83.01412	1.2
85.02960	1.5
87.00894	1.2
89.02456	1.1
89.19171	0.4
90.52466	0.4
93.75469	0.4
95.01400	2.1
96.35797	0.5
96.96027	0.9
97.02951	1.2
98.19860	0.7
100.90302	0.4
101.02446	2.7
107.01401	8.5
108.02198	1.0
109.02969	5.9
111.00878	2.2
113.02467	1.9
116.92876	3.7
120.01323	0.4
120.99683	4.1
121.02943	0.8
123.00904	14.1
123.04580	0.9
123.74261	0.4
124.01749	2.0
125.02462	47.3
126.02831	1.3
127.00394	1.0
134.03799	0.6
135.04536	0.9
136.98868	1.8
137.02457	1.0
139.00386	3.5
139.04004	1.2
140.01202	3.8
141.01988	2.1
146.03706	0.8
147.04451	0.6
149.02443	0.4
149.06007	0.6
150.03201	0.7
151.00381	10.5
151.04024	0.7
153.01947	0.9
154.99937	0.7
159.04485	2.3
161.02431	0.4
163.06142	0.5
165.01904	0.5
165.05531	1.2
166.02782	0.6
167.03485	0.8
167.07159	0.6
168.00648	4.2
169.01437	57.0
170.01764	2.2
173.06058	1.9
177.05632	0.4
179.03474	0.6
179.07172	1.7
180.07648	0.8
181.05043	0.7
182.38071	0.5
183.03046	3.3
189.05600	2.3
189.07095	0.4
190.06602	0.4
191.07063	0.9
195.06668	0.5
211.02449	1.2
240.04195	0.5
241.05209	4.7
255.06627	2.4
256.07132	0.6
267.06769	1.0
269.08157	1.0
281.09055	0.6
287.14923	0.4
296.11612	0.5
297.06161	0.9
298.08487	0.6
299.09235	3.0
300.99850	1.0
301.03253	0.6
313.02121	0.9
313.05609	13.9
313.10815	5.0
314.05984	0.7
314.10779	0.7
317.11450	0.5
329.10266	1.6
330.11258	0.6
343.12112	0.7
344.08472	0.6
344.12659	10.5
345.13351	7.4
346.13763	1.0
359.14990	18.0
360.15353	2.2
369.01596	0.4
418.17456	0.6
492.19321	0.5
493.02576	0.4
493.19662	0.6
511.20569	1.0
519.14917	0.8
525.69574	0.4
593.03253	0.5
642.22803	1.4
673.21429	100.0
674.21613	22.1
676.98975	0.5
700.03430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83861	0.1
54.77396	0.1
55.01882	0.2
57.03462	0.1
58.00611	0.2
59.01382	2.0
61.98854	0.2
63.41576	0.1
65.24490	0.1
69.03471	0.1
71.00790	0.1
71.01383	1.6
71.05039	0.1
72.01782	0.1
72.99337	0.1
73.02967	0.4
76.90687	0.1
80.02694	1.0
81.03455	0.9
83.01418	0.4
83.05030	4.5
84.02168	0.8
84.05399	0.1
85.02953	0.4
87.00914	0.2
88.44431	0.1
89.02454	1.3
93.03459	0.2
95.01423	0.1
95.05052	0.5
97.02979	0.1
97.06612	0.2
98.20636	0.2
101.02453	1.6
106.04256	0.1
109.06619	0.3
113.02460	0.9
119.03535	0.3
123.08208	0.1
125.02512	0.1
125.06105	0.5
125.09734	0.2
125.30682	0.1
131.03519	0.1
135.08223	0.5
143.03561	0.1
145.05086	0.2
147.11792	0.3
149.09798	0.1
161.04613	0.6
163.11313	3.3
164.11668	0.2
165.12860	2.2
166.13162	0.2
171.10292	1.6
172.10580	0.1
179.05644	0.2
181.12437	0.6
185.11937	0.1
191.10803	0.9
199.13408	0.3
209.11839	100.0
210.12169	7.4
221.11896	0.2
223.13521	0.1
227.12889	13.3
228.13220	1.1
229.33556	0.1
235.08212	1.7
236.08592	0.1
239.12924	0.1
247.13461	0.9
253.09290	5.9
254.09615	0.3
265.14484	0.3
300.02750	0.1
301.03506	0.2
319.22760	1.1
332.67563	0.1
401.23297	0.3
407.19525	0.1
419.24179	0.2
445.20825	0.9
446.21234	0.1
468.31012	0.1
593.29077	0.1
611.30457	0.1
613.31744	0.2
637.32098	0.7
638.32178	0.2
655.33148	0.2
673.22302	0.1
673.34137	0.2
674.34265	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	673.216
Annotation	Glycobismine-E
Peak:m/z	Relative Intensity
50.97163	0.4
56.28467	0.4
59.01380	1.2
61.98840	0.5
67.01888	1.1
68.99828	0.6
69.03446	1.0
71.01386	3.4
72.99327	0.4
73.02957	0.5
79.01909	1.4
81.03452	0.3
83.01398	0.8
85.02958	1.1
87.00896	0.6
95.01394	2.3
95.42090	0.3
97.02966	1.3
98.20609	0.9
101.02448	1.3
107.01402	10.2
109.02985	0.7
111.00908	1.7
113.02451	1.4
118.34796	0.4
121.02988	1.3
123.00905	11.9
124.01685	1.5
125.02464	52.5
126.02824	1.6
127.00391	1.1
136.98891	1.2
137.02440	0.5
139.00389	3.6
139.03943	0.8
140.01180	2.8
141.01949	1.2
144.65005	0.4
151.00397	9.7
153.01927	0.7
154.99902	0.4
165.01866	0.4
167.03566	0.4
168.00661	3.9
169.01440	68.2
170.01761	3.5
179.03612	0.5
181.05052	0.8
183.03038	3.2
192.42645	0.4
195.02904	0.4
203.09314	0.5
211.02481	1.8
217.10822	0.7
223.02333	0.5
241.03447	1.0
247.66994	0.4
252.58932	0.4
253.03505	0.9
269.08139	3.1
281.08313	0.5
283.09656	1.9
297.06134	0.7
299.09076	1.7
300.09912	1.2
300.37167	0.4
311.09247	3.8
312.09805	0.8
313.02118	0.9
313.05667	16.3
313.10916	0.7
314.05972	1.6
314.11505	3.6
315.12274	1.4
326.11588	3.1
327.07153	0.6
327.12289	0.8
329.13971	3.6
330.14145	0.6
341.13971	1.3
342.15057	0.5
673.21606	100.0
674.21930	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	673.216
Annotation	Glycobismine-E
Peak:m/z	Relative Intensity
55.01868	1.0
59.01379	9.5
61.98833	2.7
65.00330	1.3
67.01901	2.2
68.99815	1.0
69.03459	1.3
69.41420	2.7
69.41846	3.2
71.01385	6.3
72.99319	1.9
73.02956	2.0
79.01894	3.6
81.03488	0.7
81.91036	0.5
83.01389	3.0
85.02950	2.6
86.00126	0.6
87.00894	1.9
88.98812	0.7
89.02469	1.9
93.03490	0.9
95.01410	7.1
97.02960	2.4
98.19891	1.4
99.00902	0.8
101.02468	4.7
107.01411	10.3
109.02976	2.5
110.00105	1.3
111.00903	7.6
113.02464	2.2
121.02978	3.8
123.00901	37.2
124.01785	3.9
125.02463	41.9
126.02795	2.2
127.00365	2.9
128.37308	0.6
135.04604	0.8
136.98798	3.8
137.02464	1.6
139.00398	11.7
139.04031	2.5
140.01187	12.1
141.02003	4.4
145.02988	1.0
147.04465	0.8
150.03264	1.1
151.00386	14.3
151.03998	0.7
152.00760	1.2
153.01959	2.6
154.99835	0.8
159.04576	1.1
165.01920	0.9
166.99872	4.4
167.03455	0.7
167.07083	0.7
168.00662	15.2
169.01437	45.9
170.01823	3.3
177.04080	1.3
179.03424	0.7
183.03008	7.0
187.76913	0.6
195.02951	1.0
195.06584	0.9
211.02477	7.7
225.04024	1.2
227.12877	1.4
228.13274	0.7
237.03874	0.7
256.07144	0.8
268.07416	1.4
269.08109	1.9
270.08914	1.1
271.04541	4.6
281.08136	2.4
282.08755	1.3
283.09903	1.0
287.14957	1.0
295.09470	0.8
297.06177	0.9
299.09225	1.2
300.10098	1.8
301.10745	0.9
302.56894	0.7
311.09271	1.3
313.05679	1.5
314.06039	1.2
314.11627	1.6
315.12378	2.3
326.11584	1.8
327.12296	2.3
329.05188	1.4
329.13712	3.2
341.14008	1.5
343.11542	0.7
371.13290	1.0
414.43649	0.6
461.14893	0.6
462.15219	2.0
463.05927	0.6
473.72955	0.6
476.16714	4.7
477.17651	12.3
478.18188	2.5
489.17401	0.8
491.19296	5.6
492.19458	1.0
503.19022	1.8
537.16046	2.6
611.15808	0.6
628.18024	0.9
630.49243	0.7
640.18188	1.0
643.20441	76.2
644.20758	16.9
655.20416	39.9
656.20807	9.2
673.21576	100.0
673.34412	19.1
674.21942	23.6
674.34729	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	672.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.3
61.98831	100.0
62.16544	0.1
62.98549	0.2
71.01422	0.2
75.78092	0.2
78.95919	1.8
109.06624	0.2
111.08170	0.2
135.36801	0.2
152.99594	1.1
155.95007	0.2
197.11929	0.2
209.11858	0.6
211.13437	1.0
225.11322	0.2
227.12929	0.2
229.84956	0.2
274.45886	0.2
456.39841	0.2
461.19611	0.2
471.34537	0.2
609.36682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
60.43001	0.5
61.98843	1.0
65.37843	0.5
67.01887	0.9
69.03458	1.6
71.01383	3.4
71.07354	1.0
73.02970	0.8
83.01402	1.4
85.02964	1.2
87.00893	0.7
88.98818	0.8
89.02475	0.7
95.01411	1.9
96.96059	0.7
97.02962	0.7
98.20571	0.5
99.00879	0.6
101.02468	1.5
107.01414	10.4
109.03000	0.8
109.06589	0.6
111.00884	2.0
113.02490	1.3
116.92911	0.7
121.03005	0.9
123.00916	12.5
123.01827	0.7
123.08170	0.8
124.01709	1.7
125.02468	50.7
126.02816	1.5
127.00387	1.3
136.98866	1.4
137.02432	0.8
139.00420	3.9
139.04005	1.1
140.01202	3.1
141.01930	1.6
147.04526	0.6
149.05656	0.5
151.00407	8.2
151.04080	0.6
152.00693	0.6
152.32274	0.4
153.01895	0.8
153.09206	0.9
166.99826	0.4
167.03506	0.7
168.00700	4.2
169.01453	75.1
170.01817	3.8
170.57027	0.4
175.50581	0.5
183.03008	3.3
187.09775	0.7
193.01416	0.6
208.15292	0.5
211.02493	1.9
217.10793	2.5
223.02510	0.6
241.03531	1.5
253.03450	0.8
269.08060	3.8
282.09009	0.8
283.09680	2.1
295.09879	0.6
297.06125	0.9
299.09262	1.5
300.09854	1.1
311.09369	4.1
312.09912	1.3
313.05646	19.0
314.05899	1.1
314.11694	3.1
315.12399	2.1
323.18378	0.5
326.11542	2.8
327.07254	0.8
327.11969	0.6
329.13971	4.1
330.14505	0.7
341.13858	1.4
444.77960	0.5
645.00580	0.5
673.21674	100.0
674.21942	26.5
674.33105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84185	0.1
53.12986	0.1
57.56005	0.1
59.01379	0.2
61.98830	100.0
62.98536	0.2
71.01385	0.2
71.44275	0.2
78.95907	1.4
79.87239	0.1
83.05041	0.1
109.06680	0.1
114.91782	0.1
125.09753	0.2
145.03004	0.2
146.03352	0.1
150.98051	0.1
152.99623	0.7
158.08299	0.2
163.11250	0.1
171.10391	0.1
204.80458	0.1
207.10315	0.2
209.11845	0.8
211.13368	0.4
225.11359	0.1
226.11890	0.1
227.12921	0.2
289.18182	0.1
291.19614	0.1
445.19769	0.1
504.57169	0.1
616.26172	0.1
634.38824	0.2
672.33282	0.1
673.34833	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	672.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37609	0.4
57.03468	0.4
59.01116	0.7
59.01380	7.0
61.98830	21.1
63.02402	0.7
65.00340	1.3
68.99817	0.4
69.75330	1.5
69.75772	1.5
71.01389	2.8
72.99339	0.4
73.02953	0.9
83.01404	1.6
83.07607	0.4
85.02951	1.4
87.00832	0.4
89.02452	1.3
95.01402	0.8
99.66842	0.4
101.02457	1.4
107.01408	4.3
108.02187	1.2
109.02992	2.1
111.00916	0.6
113.02454	1.2
116.92892	0.5
119.05032	1.6
121.02988	2.2
123.00894	3.4
124.01678	0.8
125.02464	8.9
126.02780	0.7
127.00381	0.5
135.00920	0.9
135.04575	0.7
136.01619	0.5
136.98816	0.4
137.02414	0.6
139.00366	0.8
139.03995	0.5
140.01126	0.7
145.02982	2.1
148.01694	0.8
149.02507	0.5
150.03276	0.4
150.06859	0.7
151.00391	14.9
151.04045	0.6
152.00810	0.4
153.01952	1.0
159.54770	0.4
161.02483	0.7
162.03064	0.4
163.00360	2.3
163.04071	0.7
163.07629	0.5
164.01143	0.7
167.03633	0.5
168.00627	1.5
169.01451	10.6
170.01747	0.9
178.99869	6.5
179.10925	0.5
181.05083	0.5
183.04471	0.5
190.99930	0.7
209.11874	0.8
211.02460	1.2
211.04179	0.9
215.03607	0.5
215.07062	0.4
225.15050	0.7
226.02675	1.1
227.03482	2.1
227.12848	2.5
229.05031	0.7
238.84018	0.4
243.02989	8.6
244.03366	0.7
245.04536	0.9
254.02194	1.7
255.02974	22.6
256.03345	1.7
271.02454	46.1
272.02936	5.2
273.04034	1.3
283.02493	0.9
283.09790	0.6
284.03293	0.4
285.03848	0.6
287.14972	1.0
299.02054	1.1
300.02756	97.4
301.03479	47.5
302.03891	3.4
311.09424	0.5
313.05630	1.4
327.12125	0.6
331.06757	2.7
343.04398	0.5
375.27347	0.5
403.54236	0.4
463.08798	27.6
464.09094	3.3
578.61633	0.4
609.12628	100.0
610.12982	18.4
636.11023	0.4
643.20416	2.1
655.20862	0.9
663.67212	0.4
671.20227	1.4
671.33136	6.6
672.20367	6.1
672.33337	3.9
673.21234	7.1
673.34399	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	671.4021
Annotation	Guineamide D
Peak:m/z	Relative Intensity
50.61594	0.3
57.03432	0.9
57.77073	0.3
59.01379	3.6
61.98829	7.8
62.77166	0.3
69.18779	0.3
71.01379	2.3
72.99308	0.3
73.02950	0.9
73.08897	0.3
77.67793	0.3
81.03448	0.3
83.01395	0.3
83.05010	0.8
85.02969	1.6
87.00887	0.7
89.02442	1.3
95.01422	0.6
97.02956	0.8
98.19814	0.6
99.00887	0.4
99.04520	0.8
101.02445	1.7
101.35081	0.3
108.68397	0.3
109.06608	1.2
111.04569	0.3
113.02448	0.7
113.06069	0.6
121.02927	0.4
121.06572	0.4
123.00914	0.9
124.01720	0.5
125.02448	4.4
125.09689	0.4
126.33466	0.3
127.11283	0.5
135.08163	0.9
136.05339	0.7
137.02525	0.4
137.06068	0.4
137.09749	0.5
148.05441	0.4
149.06097	5.7
149.09714	0.4
150.06880	46.1
151.00319	0.3
151.07231	1.6
153.01956	0.4
155.10799	0.6
161.04643	0.4
161.09735	1.0
162.06876	0.6
163.07666	11.4
163.11342	1.6
164.08446	6.9
165.01842	0.4
165.08904	0.5
168.00560	0.7
169.01436	5.5
171.10298	0.7
176.08424	2.1
177.09200	1.0
178.10016	3.2
179.10782	13.0
180.11140	0.6
181.12469	0.5
193.08626	0.5
197.15353	0.3
207.10268	3.2
209.11850	8.6
210.12157	0.8
211.02464	0.5
225.11314	6.8
226.11707	0.7
227.03490	0.4
227.12892	1.3
235.08340	0.7
253.09338	1.3
255.03009	0.6
265.21652	0.7
271.04697	0.6
283.22812	0.7
284.03186	0.4
285.03976	1.1
285.20871	0.6
313.05658	0.8
327.25378	1.5
329.23291	5.7
330.23727	0.7
397.02621	0.3
417.22745	0.5
430.31061	1.2
443.19473	0.5
445.33398	0.8
446.33737	0.6
447.34836	0.8
448.31885	9.4
449.32385	1.9
461.20261	1.4
462.33255	1.9
463.34253	12.8
464.34470	2.1
473.32373	0.5
490.32953	2.1
491.33655	3.9
492.34009	0.4
493.35339	0.4
508.34067	3.4
509.34784	31.8
510.35190	6.7
603.29688	0.4
635.14587	0.5
635.31165	0.8
653.31940	1.2
671.40472	100.0
672.40778	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	671.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03438	1.1
59.01379	12.3
59.21246	0.3
61.98830	9.2
67.01901	0.5
69.03461	0.7
71.01382	4.2
72.99329	0.9
73.02969	1.5
74.99085	0.3
78.91891	0.9
79.01887	0.4
81.03498	0.5
83.01411	1.2
83.05029	0.6
85.02954	1.8
87.00893	1.8
87.04578	0.5
88.98811	0.7
89.02457	1.6
93.03459	0.5
95.01398	1.6
95.05037	0.5
97.02972	0.8
97.06573	1.5
98.19917	0.9
99.00922	0.5
99.04537	0.7
101.02461	3.2
107.01416	2.2
108.02192	2.7
109.02967	3.0
109.06606	0.7
111.00903	1.4
111.04581	0.4
111.08257	0.5
113.02444	1.9
113.06120	0.3
116.92871	0.4
119.03571	0.6
121.06622	0.4
123.00898	7.7
123.04555	0.8
123.08182	1.1
124.01677	0.9
125.02466	9.3
125.06084	0.4
127.00409	0.3
127.07677	0.5
133.02965	0.9
134.03789	0.5
135.04546	3.6
135.08217	0.6
136.05322	6.7
136.07669	0.4
136.98863	0.7
137.02467	1.0
137.06068	0.4
137.09755	0.8
138.06906	0.5
139.00406	2.1
139.04054	0.3
139.07634	0.3
140.01186	1.2
141.01965	0.9
147.04510	0.4
148.05321	0.4
149.06104	2.3
149.09738	0.8
150.06883	20.0
151.00391	4.7
151.04008	0.3
151.07446	1.1
152.01157	3.0
153.01964	2.8
153.05550	0.4
153.09283	0.3
155.10822	0.3
159.67206	0.3
161.02457	3.8
161.04588	0.6
161.06004	0.3
161.09795	0.5
162.06934	1.0
163.03993	0.5
163.07655	2.8
164.08450	4.3
165.01996	0.6
165.09218	7.4
166.09520	0.6
167.03488	0.5
167.07341	0.3
168.00658	2.4
169.01437	10.4
170.01816	0.6
171.10335	0.4
173.08234	0.5
176.08495	0.4
177.09177	2.2
178.09982	0.7
179.03528	3.4
179.07277	0.5
179.10796	9.3
180.11108	0.5
195.06708	0.5
203.10875	0.5
207.10313	0.7
207.13936	0.5
209.11771	2.4
211.02473	2.9
215.09308	1.0
221.11932	0.6
225.11281	0.8
225.15102	0.5
227.12892	3.5
228.13290	0.3
269.13950	0.6
271.04553	1.9
285.04053	0.7
287.15005	1.0
292.20309	0.4
306.18466	0.5
313.05640	0.9
315.07300	0.7
320.20026	0.8
321.20743	0.9
327.21921	0.7
329.19720	4.3
330.20123	0.6
335.22418	0.5
343.21259	1.5
350.21042	1.1
357.13913	0.4
364.22562	0.8
370.16663	0.3
412.26410	0.5
427.28595	1.4
432.39471	0.3
445.29446	1.4
448.28262	0.5
449.20282	0.6
463.30716	2.0
464.31354	0.4
490.29776	0.4
491.30240	2.1
492.30038	0.4
508.30426	2.1
509.31046	22.8
510.31372	4.6
611.36920	0.8
633.35602	0.4
635.30743	0.4
641.22552	0.6
641.32288	0.9
643.93542	0.4
653.22681	0.4
653.32501	0.8
671.35553	100.0
672.35876	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
59.01374	3.4
60.23372	0.2
61.98831	7.7
69.03439	0.3
69.41267	2.3
71.01388	2.3
72.99332	0.5
73.02948	0.6
75.00840	0.3
81.03470	0.7
83.01393	0.5
83.05038	1.2
85.02952	1.7
87.00885	0.9
87.14144	0.2
88.98834	0.4
89.02433	1.1
95.01404	0.4
95.05045	0.5
97.02967	0.7
99.00974	0.2
99.04523	1.0
101.02449	1.5
107.01382	0.4
109.03004	0.3
109.06617	2.0
111.00819	0.3
111.04509	0.5
111.08156	0.3
113.02469	1.0
113.06069	0.3
119.05046	0.5
121.02950	0.4
121.06625	0.4
123.00922	0.8
123.04535	0.6
124.01685	0.5
125.02464	5.2
125.09728	0.3
126.02822	0.3
127.11308	0.5
135.04640	0.3
135.08170	1.0
136.05322	0.5
137.06039	0.4
137.09747	0.4
139.04028	0.2
140.01154	0.2
149.04893	0.3
149.06105	5.3
149.99580	0.5
150.06883	44.1
151.00366	0.9
151.04146	0.2
151.07211	2.1
152.01167	0.2
153.12880	0.4
155.10796	0.8
161.04506	0.3
161.09755	1.0
162.06883	0.8
163.07661	10.4
163.11316	2.1
164.04842	0.2
164.08434	6.8
165.01981	0.4
165.05478	0.4
165.08983	0.3
165.12851	0.4
167.03584	0.3
168.00652	1.1
169.01447	6.4
169.05132	0.3
171.10295	0.4
171.13875	0.3
176.08415	2.2
177.05629	0.3
177.09196	1.1
178.09993	3.5
179.05595	0.2
179.10789	14.2
180.11131	1.0
189.09219	0.5
193.08638	0.3
199.13377	0.5
207.10280	6.3
207.80301	0.2
208.10715	0.3
209.11835	12.9
210.12216	0.7
211.13272	0.3
221.11873	0.2
225.11334	7.9
226.11688	0.7
227.03586	0.3
227.12878	2.2
228.13126	0.2
235.08328	0.6
253.09315	1.4
255.03032	0.7
265.21735	0.8
271.04660	0.5
282.38275	0.3
283.22791	0.4
284.03223	0.7
284.99741	0.2
285.03992	1.4
285.20587	0.4
300.02808	0.4
313.05658	0.8
327.25482	1.5
329.23315	5.6
329.27249	0.2
330.23651	0.6
331.06729	0.3
417.22827	0.4
430.30811	1.3
432.32770	0.3
443.19479	0.8
445.21597	0.2
445.33380	1.0
446.34009	0.7
447.34906	0.7
448.31860	8.5
449.32190	1.5
461.20142	1.6
462.33530	1.4
463.34225	12.0
464.34573	2.7
473.32367	0.3
476.31134	0.4
489.32144	0.3
490.32986	2.6
491.33746	3.2
492.34229	0.6
493.35501	0.3
508.34039	3.9
509.34808	31.2
510.35175	5.6
551.35547	0.3
580.09613	0.3
635.14392	0.9
635.31122	0.9
636.15796	0.4
653.31744	1.2
654.32477	0.4
671.40497	100.0
672.40887	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	671.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
57.49476	0.3
59.01382	11.2
61.98831	7.8
67.01897	0.3
69.03482	0.6
70.20928	1.6
71.01389	3.9
72.99326	0.7
73.02959	2.0
78.91897	0.6
79.01916	0.3
83.01419	0.9
83.05039	0.6
85.02972	1.8
87.00900	1.2
88.98865	0.3
89.02476	0.9
93.03506	0.5
95.01404	0.9
95.05048	0.6
97.02941	0.4
97.06593	1.9
98.19914	0.4
99.04520	0.8
101.02474	1.9
107.01411	1.7
108.02211	1.7
109.02985	3.1
109.06626	0.9
111.00908	1.0
111.08173	0.5
113.02471	1.5
119.03534	0.4
121.06603	0.5
122.03782	0.7
123.00910	5.6
123.04554	0.7
123.08204	1.1
124.01742	0.4
125.02469	6.3
127.07670	0.5
133.03023	0.6
133.80751	0.3
135.04526	2.9
135.08157	0.4
135.90929	0.3
136.05324	15.7
136.99019	0.4
137.02461	0.8
137.06020	1.1
137.09724	0.7
138.06876	0.5
139.00404	1.3
139.07713	0.5
140.01172	1.2
141.01978	0.5
146.03712	0.3
147.08176	0.6
148.05336	0.5
149.06102	3.0
149.09770	0.9
150.06882	15.8
151.00404	2.8
151.04039	0.6
151.07593	1.0
152.01170	2.6
153.01952	2.7
161.02484	1.8
161.04657	0.4
161.06030	0.4
161.09773	0.4
162.06914	1.0
163.07655	3.1
164.08458	4.1
165.09225	12.7
166.09596	0.6
167.03568	0.7
168.00671	1.7
169.01450	7.3
170.01871	0.4
173.08220	0.4
177.07907	0.5
177.09201	2.5
177.12901	0.3
178.09967	0.7
179.03499	2.0
179.07269	0.5
179.10783	7.7
181.12332	0.3
187.09792	0.6
191.10930	0.3
201.11346	0.4
203.10785	0.4
206.25395	0.3
207.10327	0.5
207.13940	0.4
209.04500	0.7
209.11899	1.1
211.02499	1.8
212.70476	0.3
215.09311	0.5
225.11446	0.8
225.15050	1.0
227.12872	3.6
229.10747	0.7
253.09602	0.3
259.76096	0.3
269.13782	0.4
271.04660	1.4
287.15021	1.6
288.67377	0.3
306.18512	0.8
313.05704	0.5
320.19794	0.6
321.20749	1.4
327.21909	0.7
329.19696	3.0
335.22391	1.0
343.21243	2.6
350.21097	1.3
351.21680	0.7
409.27588	0.4
412.26074	0.5
427.28732	1.7
428.29166	0.5
445.29721	1.3
448.27902	0.5
449.20029	0.7
463.30591	3.7
464.31094	0.5
481.01871	0.3
491.29843	1.9
499.21988	0.5
508.30093	2.3
509.31036	28.0
510.31448	5.4
510.37988	0.4
641.32483	0.5
653.32629	1.0
671.36084	100.0
672.36603	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	671.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
57.03453	4.2
58.00587	0.6
59.01380	57.5
60.01721	0.7
61.98830	9.8
64.94095	0.4
67.01903	1.3
69.03453	1.0
71.01385	11.7
72.99307	1.3
73.02950	6.4
79.01915	0.5
81.03477	0.7
83.01403	3.4
83.05047	0.6
85.02967	4.6
87.00891	1.6
88.98833	0.8
89.02460	2.9
93.03502	0.8
95.01400	2.7
96.96046	1.5
97.02954	1.9
97.06602	0.7
99.00900	1.1
99.04538	1.6
101.02457	6.1
107.01414	6.5
107.05061	0.6
108.02234	0.9
109.02991	2.9
109.06630	1.0
111.00878	1.9
111.04536	0.4
113.02465	4.9
115.00399	0.4
116.92900	0.6
119.03553	0.7
119.05034	0.4
121.02953	2.0
121.06582	0.6
122.03713	0.5
123.00908	9.7
123.01831	0.6
123.04547	1.1
123.08224	1.5
124.01719	0.9
125.02464	36.6
126.02827	1.3
131.03513	0.4
133.06654	0.5
134.94942	0.4
135.04561	2.9
135.08197	0.7
136.01723	0.6
136.05342	0.7
136.98854	0.7
137.02467	2.4
139.00392	3.2
139.04063	0.6
139.07640	1.0
140.01189	2.0
141.01996	1.4
143.03503	0.5
145.03040	0.5
147.04533	0.6
148.05342	0.9
149.02466	0.7
149.06084	0.6
149.09810	1.8
150.03271	0.6
150.06845	0.5
151.00400	8.2
151.04045	1.3
151.07663	5.8
152.01167	1.0
153.01988	1.4
153.09224	0.4
158.19289	0.5
159.08266	0.4
161.02408	0.9
161.04636	1.1
161.06134	1.1
161.09740	1.8
162.74576	0.4
163.04068	1.2
163.07671	4.8
165.05597	1.3
165.09250	3.2
165.12891	1.3
167.03526	0.6
168.00677	3.7
169.01442	41.5
170.01802	1.6
173.06131	0.5
173.09755	1.1
175.04059	0.7
175.07683	0.6
175.11270	0.5
176.04752	0.4
177.01920	0.5
177.09227	5.7
178.99893	1.0
179.03578	0.8
179.05588	0.4
179.10834	3.8
181.05122	0.9
183.03040	1.1
187.07704	0.5
188.08467	2.1
189.12878	0.6
191.10869	1.4
193.01511	0.5
193.12373	0.5
195.06697	0.8
203.10785	10.3
204.11089	0.7
207.13872	3.7
209.11852	5.3
211.02414	2.2
219.03145	0.6
221.11838	6.5
221.13986	0.5
222.12257	0.6
223.02577	0.7
225.14996	6.1
227.03709	0.6
227.12892	29.3
228.13197	2.4
233.12029	0.9
234.05302	0.5
243.02985	1.9
245.04576	0.5
251.12939	1.3
255.03032	3.6
269.13947	6.0
270.14462	0.5
271.02289	7.8
271.05258	2.1
279.08771	0.5
287.14996	13.3
288.15445	1.5
293.14069	0.5
299.01987	0.5
300.02756	17.3
301.03519	8.3
301.06723	0.6
309.69638	0.4
311.15381	0.4
312.10422	0.6
313.05646	9.9
314.05954	0.6
327.12378	0.4
329.16238	1.0
331.06726	0.7
342.11026	5.6
343.07895	0.4
343.11511	2.0
357.13443	7.0
358.14066	0.8
359.17191	0.5
389.18088	2.0
431.19315	0.6
449.20273	3.7
450.21307	0.5
463.08917	4.8
479.32513	1.8
601.64996	0.5
609.12256	18.4
611.36688	2.7
612.37195	0.8
635.31702	0.4
653.32031	4.0
654.32837	1.3
671.20465	50.8
671.33386	100.0
672.20801	12.6
672.33777	23.1
672.44641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03450	4.8
59.01380	50.2
60.01727	0.7
61.98834	7.7
63.96259	0.4
67.01884	0.3
69.03454	0.6
69.39145	1.2
69.39567	2.3
71.01390	6.6
72.99309	0.8
73.02951	5.3
83.01402	2.3
83.05038	0.5
85.02966	3.5
87.00888	1.3
88.98856	0.4
89.02438	1.7
95.01392	1.3
95.05059	0.5
97.02964	1.1
97.06617	0.9
98.20646	0.7
99.00896	0.6
99.04520	1.4
101.02461	4.3
107.01427	1.6
108.02171	2.0
109.02979	1.9
109.06579	0.8
111.00889	1.2
111.04498	0.6
113.02485	3.1
119.03545	0.7
119.08714	0.5
121.02954	0.7
121.06594	1.0
123.00906	5.4
123.04543	0.8
123.08187	2.9
124.01710	0.4
125.02462	7.6
133.06619	0.4
135.04567	2.2
135.08159	1.0
136.05330	5.3
136.98738	0.6
137.02495	0.6
139.00401	1.8
139.04056	0.3
139.07684	1.2
140.01151	1.3
141.01965	0.6
141.09212	0.4
145.06573	0.4
147.04465	0.3
148.05321	0.7
149.06056	1.4
150.03247	0.5
150.06863	3.4
151.00410	3.4
151.03978	0.5
151.07681	5.0
151.11299	0.4
152.01204	2.3
152.08028	0.4
153.01955	1.9
153.05565	0.4
153.09143	0.4
160.09055	0.4
161.04593	0.4
161.09789	1.7
162.06898	0.4
163.04021	0.5
163.07664	6.3
164.08421	1.8
165.02007	0.4
165.05586	0.7
165.09248	7.6
165.12843	1.2
166.09552	0.3
167.03474	0.4
167.10741	0.4
168.00633	1.5
169.01453	8.6
173.09747	0.8
175.11348	0.7
177.09250	2.2
179.10785	5.9
183.02931	0.4
187.07710	0.5
187.09671	0.4
188.08478	1.8
189.12839	0.5
191.10820	0.8
203.08913	0.7
203.10808	11.0
204.11087	0.7
207.10223	0.5
207.13914	2.1
209.11894	3.8
210.12270	0.4
211.02501	1.9
217.10757	1.0
221.11848	8.5
222.12292	0.4
225.14996	4.0
226.15297	0.5
227.12901	16.9
228.13220	1.2
233.11867	0.8
251.12755	1.3
252.61916	0.4
269.13934	3.1
271.04459	1.2
287.15018	7.8
288.15164	0.5
293.13846	0.4
313.05597	1.4
321.20834	0.7
329.15945	0.5
329.19666	0.8
343.21170	0.8
350.20813	0.4
359.17352	0.4
379.24847	0.6
389.18069	1.3
427.28473	0.4
445.29620	0.4
449.20001	1.3
463.30542	1.0
479.31216	0.5
508.30460	0.6
509.31070	6.5
510.30945	1.1
527.24945	13.4
528.25214	3.2
611.36316	0.5
633.59052	0.4
635.30585	0.4
653.32025	5.3
654.31635	1.1
671.33069	100.0
672.33447	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	671.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12519	0.4
50.30739	0.3
55.10886	0.4
57.03223	0.5
57.03444	5.3
59.01379	50.8
60.01706	0.5
61.98815	1.9
63.06043	0.4
69.03454	0.8
69.52510	2.4
69.52937	1.6
70.51109	0.4
71.01380	6.4
72.99325	0.6
73.02953	5.6
81.60050	0.4
83.01378	1.5
85.02974	2.6
87.00900	1.0
89.02457	2.2
95.01389	0.9
95.05009	0.5
97.06606	0.7
98.19883	0.7
99.00902	0.5
99.04519	1.3
101.02466	3.0
107.01382	0.6
109.03011	0.4
113.02477	2.7
119.03469	0.5
121.06610	0.8
123.00879	0.6
123.08159	3.2
125.02441	1.5
135.04524	2.4
135.08180	0.9
139.07614	0.8
141.09138	0.6
147.04547	0.6
148.05287	0.7
151.07671	7.5
151.11205	0.5
153.01929	0.4
158.07426	0.5
161.04630	0.6
161.09703	2.8
163.07674	5.8
165.09239	3.3
165.12933	0.7
168.00760	0.5
169.01413	1.4
173.09688	1.0
177.09195	2.4
179.10764	5.5
188.08446	2.5
189.12958	0.5
189.85268	0.4
191.10780	1.3
202.79860	0.5
203.10783	13.2
204.11037	0.9
207.13902	2.5
209.11847	4.1
212.02701	0.4
221.11835	9.2
222.12204	1.0
225.14990	4.6
226.15402	0.5
227.12901	22.7
228.13202	1.6
251.12794	1.0
269.13901	4.4
286.51834	0.5
287.15012	8.3
288.15225	1.0
349.01477	0.4
389.18161	1.1
449.20224	1.9
611.36798	0.6
635.30145	0.6
653.31805	4.1
654.32172	1.5
671.32886	100.0
672.33221	23.1
672.44818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
57.03443	1.2
58.21750	0.3
58.88019	0.3
59.01379	10.7
61.98837	1.6
65.03974	0.6
65.76279	0.3
69.03457	0.5
70.83425	0.9
71.01384	5.9
72.99319	0.4
73.02958	1.4
80.02670	2.1
81.03457	2.8
82.32357	0.3
83.01386	1.2
83.05032	7.8
84.02169	1.1
85.02961	1.8
87.00886	0.9
89.02454	4.1
93.03473	1.3
95.01369	0.4
95.05027	1.4
97.02964	4.9
97.06607	0.9
99.00889	1.1
101.02454	5.1
102.31065	0.3
106.04243	0.5
107.05009	0.9
107.84744	0.3
109.02962	0.3
109.06603	23.9
110.03747	1.5
110.06935	1.1
111.00916	0.5
111.04543	0.7
113.02465	2.9
119.03516	1.3
121.06616	1.2
123.04520	0.6
123.08161	0.7
124.01585	0.2
125.02462	1.0
125.06124	0.7
125.09746	2.3
135.08176	3.8
136.05315	0.9
136.46494	0.3
142.02736	1.2
144.27441	0.3
145.05080	0.7
145.10258	0.5
147.11899	0.6
149.09674	0.4
151.07701	0.5
161.04581	1.3
161.05814	0.4
161.09732	2.0
163.11307	17.4
164.11646	1.0
165.09213	0.3
165.12863	3.1
168.00610	0.4
169.01485	0.3
171.10275	2.5
179.05586	0.6
179.10767	0.8
181.12384	3.9
185.11832	2.8
187.09721	0.9
189.09187	1.9
190.09517	0.3
191.10802	1.4
191.14436	0.4
197.11873	0.5
201.11324	0.6
207.10271	62.7
208.10577	4.3
209.11833	100.0
210.12161	6.1
210.48106	0.3
211.13322	0.6
217.12288	0.7
221.11794	1.0
223.09727	0.4
223.13406	0.8
225.11325	28.9
226.11646	1.8
227.12894	12.9
228.13240	0.9
231.10248	1.0
235.08234	3.4
235.13353	0.8
243.12344	0.4
245.11858	0.7
247.13347	0.9
249.11308	1.6
253.09277	9.1
254.09564	0.4
263.12842	1.5
265.14374	1.2
281.13858	0.5
299.14923	0.9
355.22800	0.7
363.19836	0.4
373.19839	0.4
373.23938	0.9
373.61414	0.4
381.20486	0.6
389.23392	0.7
399.21786	6.2
400.22198	0.7
407.24472	0.6
417.22867	5.0
418.22937	0.7
435.23859	0.9
443.19336	2.4
444.19302	0.4
445.20776	0.8
450.80457	0.3
461.20300	9.7
462.20697	1.1
485.19916	0.4
509.27649	0.4
609.29675	0.8
611.30133	0.4
625.32306	0.6
627.30267	0.6
635.30798	10.7
636.31128	2.7
653.31885	12.9
654.31995	2.8
671.32898	25.4
672.33142	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	671.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87476	0.4
55.01831	0.4
57.03459	0.6
58.00592	2.4
58.18513	0.4
59.01380	32.6
60.99309	0.6
61.98830	2.7
69.03439	0.6
69.50967	1.9
69.51391	2.1
71.01383	16.5
72.01733	0.6
72.99310	2.8
73.02947	3.4
74.99097	0.5
75.00846	0.6
81.63610	0.4
83.01397	1.2
85.02950	7.1
86.00130	0.5
87.00871	3.2
88.98809	1.6
89.02449	13.8
93.03449	0.6
95.01380	1.1
99.00854	0.8
99.04523	0.4
101.02451	8.8
103.04029	2.1
105.03460	0.7
107.01435	0.6
107.04935	0.5
108.02173	2.7
109.02981	0.8
113.02457	5.2
115.00357	0.6
116.92845	2.3
119.03535	4.2
119.04999	1.0
120.99644	0.9
121.02975	1.1
121.62951	0.5
122.03736	1.7
123.00859	0.6
123.04528	1.4
124.01625	0.9
125.02460	1.4
127.26170	0.5
131.03497	1.8
134.03763	2.5
135.04559	4.1
136.99113	0.8
137.02518	0.8
137.06007	0.5
138.03279	0.7
143.03523	1.3
145.02975	1.5
146.03754	44.8
147.04582	7.0
148.05267	0.9
149.06094	4.8
150.03232	1.5
151.00336	0.6
151.04016	1.3
161.02457	1.1
161.04607	2.7
161.06085	32.0
162.03252	3.5
162.06456	2.1
163.04097	0.4
163.06160	2.7
164.04778	2.3
165.05600	3.2
167.07140	24.5
168.07442	1.3
169.01413	1.6
177.01912	0.5
177.05569	2.6
179.05605	4.3
179.07152	7.2
183.06636	4.3
193.08682	1.3
195.06668	3.0
221.08237	0.5
227.03404	0.9
255.03017	0.7
279.35791	0.4
283.11789	0.5
283.26474	1.0
284.03345	0.9
300.99979	0.8
301.03308	0.5
311.11389	0.8
312.12091	1.5
313.12933	52.9
314.13272	5.2
327.14383	1.5
329.12402	44.9
330.12741	4.7
339.14700	0.7
343.11862	2.3
361.22272	1.0
367.13980	23.9
368.14291	1.9
429.15588	0.6
443.13559	2.8
445.18777	1.1
458.15787	3.0
459.16168	0.8
461.17581	0.6
473.18140	100.0
474.18512	17.0
491.18784	3.9
509.20218	12.8
510.20715	2.6
521.22552	0.8
603.42059	0.6
609.15021	1.1
671.25763	10.7
672.26111	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	671.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00372	1.9
55.01882	5.3
57.03445	7.1
58.00578	3.5
59.01379	79.3
60.89941	2.0
61.98838	3.7
69.54408	19.3
71.01385	100.0
72.99326	3.2
73.02952	48.3
83.01398	11.0
85.02958	54.8
86.90614	2.2
87.00891	16.9
89.02450	57.9
91.05489	3.0
93.03463	2.4
95.01398	6.0
97.02945	5.3
98.19866	3.1
99.00910	8.9
99.04540	5.1
101.02454	97.4
102.02802	2.5
108.02242	3.7
109.02959	5.1
113.02470	39.1
116.92783	2.8
119.03493	21.0
119.04918	2.6
121.02982	4.3
122.03722	5.1
123.04533	4.8
125.02467	5.9
127.04037	9.1
131.03568	14.8
134.03778	38.4
135.04555	13.3
143.03528	12.3
145.05078	80.4
146.03755	53.9
147.04553	19.1
149.04774	3.4
149.06111	30.4
150.03224	7.0
151.04010	4.1
153.38422	2.1
154.06187	2.3
159.03038	6.5
161.04575	71.6
161.06075	20.0
161.35158	2.4
162.03227	4.9
162.04926	4.0
163.04024	2.7
164.04813	38.8
165.05510	7.8
166.06154	2.2
167.07150	47.4
168.07616	2.4
179.05623	94.1
179.07159	36.8
180.06015	2.2
180.07481	2.5
188.01524	2.4
193.08821	2.6
195.06615	6.1
209.08165	2.9
221.06635	25.2
222.06923	2.7
241.48296	2.2
247.08209	41.5
265.09213	5.5
295.11813	4.6
302.70660	2.0
313.12909	74.5
314.13281	7.2
325.11420	2.6
367.13965	5.6
473.16818	7.0
474.17407	23.4
474.93530	2.4
475.18228	28.4
476.18265	3.1
529.19238	59.8
530.19672	6.6
587.45099	2.4
594.87158	2.4
623.23621	25.6
624.23712	5.6
635.23682	30.8
636.24152	6.0
653.24615	64.4
654.24872	17.4
671.25464	37.6
672.25775	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	671.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
57.03439	1.6
58.00597	0.6
59.01381	31.8
60.34037	0.5
61.98832	18.3
65.00323	0.6
67.01894	1.3
68.99832	0.5
69.03457	1.9
71.01386	13.0
72.99313	1.3
73.02950	6.1
75.00869	0.7
75.18807	0.5
76.86524	0.4
79.01893	1.1
81.03475	0.8
83.01392	13.1
83.05035	0.5
85.02955	4.8
87.00881	1.9
88.98808	1.8
89.02444	4.5
91.01942	0.6
93.03475	2.2
95.01399	3.3
96.96014	1.5
97.02961	1.7
99.00915	1.0
99.04518	0.9
101.02460	9.3
107.01403	12.4
108.02184	2.3
109.02948	2.5
111.00907	3.8
113.02457	5.5
116.92876	2.0
119.03522	1.4
120.05470	0.5
120.99686	1.2
121.02958	2.3
122.03771	2.3
123.00906	16.4
123.04551	4.2
124.01675	2.2
125.02465	62.0
126.02825	2.4
127.00392	1.0
133.02953	1.1
135.04536	1.9
136.01678	1.8
136.05339	0.8
136.98820	2.1
137.02502	3.3
137.06099	2.3
139.00395	5.5
139.04063	1.6
140.01192	4.6
141.01944	1.9
145.02957	0.8
147.04495	1.1
149.02437	0.6
150.03253	2.2
150.06900	0.8
151.00389	12.1
151.04057	3.5
151.07677	0.5
152.01189	2.8
153.01935	2.3
161.02470	2.4
161.04591	1.4
161.06052	1.2
163.04015	1.1
163.07614	0.7
163.11478	0.5
165.01944	0.9
165.05571	2.1
165.09244	0.9
165.12813	0.7
166.02710	1.0
166.99884	1.0
167.03490	3.7
168.00684	5.9
169.01445	77.0
170.01828	3.4
176.04758	0.5
177.02022	0.6
177.05542	0.7
177.09167	0.6
179.03520	1.8
179.05603	0.6
179.10806	0.7
181.05063	1.1
183.03014	4.0
187.04137	0.6
191.05560	0.7
191.10817	1.1
193.01440	0.7
195.02956	0.9
195.06700	1.5
203.10829	1.2
205.05060	0.6
207.06467	0.6
207.13936	1.9
209.04535	0.7
209.08246	0.8
209.11858	2.1
211.02486	2.8
219.03043	1.1
221.08284	1.4
221.11783	1.0
221.94154	0.5
225.11343	0.6
225.15056	2.8
227.12903	11.7
233.12024	0.6
241.03555	1.1
249.07796	0.6
251.12901	0.7
253.03555	0.8
255.02832	0.9
258.01993	0.5
269.13959	2.1
271.02246	0.7
279.08762	0.8
284.03302	1.2
285.03973	2.6
287.14993	5.1
300.02802	1.4
301.03384	0.6
313.05658	21.3
314.06067	1.4
327.07449	1.1
327.12387	0.9
342.11096	1.3
343.11853	4.3
344.12469	1.0
357.13443	6.1
375.27615	0.9
388.60269	0.6
389.18207	0.7
391.23547	1.0
397.13419	0.8
403.19775	0.9
421.20630	0.5
422.96030	0.6
449.20407	3.2
479.32428	1.3
499.21634	1.1
609.12634	4.1
611.36682	0.7
653.18231	0.6
653.31787	1.4
671.20074	100.0
671.33032	54.2
672.20435	21.8
672.33295	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	671.199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68063	0.3
52.74991	0.3
54.58834	0.4
55.01874	0.7
59.01383	2.7
61.84788	0.4
61.98842	2.1
67.01890	1.1
68.99794	0.5
69.03458	0.7
69.35339	0.5
69.35745	3.8
71.01386	3.8
72.99311	0.6
73.02965	1.0
74.42007	0.3
79.01902	1.2
81.03460	0.5
83.01392	12.6
83.01870	0.8
85.02976	1.1
87.00907	0.5
88.98757	0.4
89.02440	0.4
93.03478	0.7
95.01382	2.0
97.02966	1.4
98.19730	0.6
101.02452	1.6
107.01402	9.3
109.02967	0.8
111.00885	2.1
113.02470	1.8
121.02989	2.6
122.03780	2.7
123.00901	13.6
123.04517	2.1
124.01682	1.5
125.02459	48.6
126.02821	1.4
127.00340	0.6
135.04591	0.5
136.01657	0.5
136.05333	0.6
136.98846	2.1
137.02460	2.1
137.06107	2.3
139.00410	3.7
139.04019	0.9
140.01164	2.9
141.01952	1.5
147.04532	1.5
151.00394	7.1
151.04031	1.0
153.01932	1.4
161.06168	0.8
163.07588	0.4
165.01891	0.5
168.00653	4.5
169.01439	58.7
170.01762	2.5
183.03000	5.4
184.03426	0.5
193.01401	0.4
195.06650	1.0
196.89400	0.4
206.05963	0.5
209.08220	0.4
211.02513	1.6
221.08197	1.6
223.02475	0.6
227.12895	0.6
241.03532	1.1
287.15143	0.5
297.06287	0.8
313.05649	17.8
314.06064	1.1
327.07382	2.0
342.11017	1.6
343.11823	7.0
344.12161	0.9
357.09216	0.6
357.13449	7.4
358.13867	0.7
671.19891	100.0
672.20184	21.8
672.29980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.199
Annotation	(+)-Pinoresinol 4-O-(6''-O-galloyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01385	1.6
61.98830	2.7
67.01901	1.1
69.03479	0.8
69.43459	3.5
69.43880	1.1
71.01389	4.0
73.02950	0.9
74.93877	0.5
79.01897	1.6
81.03479	0.6
82.43151	0.5
83.01399	1.1
85.02967	1.9
87.00879	0.6
89.02469	0.8
95.01405	2.1
97.02973	0.9
98.20664	1.0
99.00891	0.4
101.02460	1.1
101.19647	0.5
107.01402	9.5
109.02971	1.2
111.00901	2.5
113.02480	1.1
116.92877	2.0
121.02943	0.8
123.00906	14.3
123.04569	0.6
124.01694	1.7
125.02466	54.0
126.02796	1.9
127.00386	1.1
135.04497	0.4
136.01680	10.2
136.98825	1.0
137.02463	1.8
138.03146	0.4
139.00401	4.1
139.04037	1.3
140.01204	3.3
141.01944	1.3
145.90302	0.4
148.22507	0.4
149.02541	0.5
151.00394	7.6
151.04019	9.6
152.04472	0.5
153.01920	0.8
159.04523	0.5
160.05132	0.5
161.02483	0.5
163.04021	0.7
165.01971	0.6
166.99910	0.5
167.03448	0.5
168.00648	4.5
169.01443	63.0
170.01733	2.7
173.06088	0.6
175.04048	0.8
176.04727	0.7
179.03477	0.6
181.01451	0.5
183.02988	4.4
198.51141	0.5
211.02507	1.3
223.02466	1.0
241.03577	1.3
249.50020	0.5
253.03543	1.2
279.06815	0.5
287.52417	0.5
297.06165	0.8
312.10175	0.6
313.05643	15.5
313.10794	0.7
314.06015	1.0
327.07245	1.0
327.12286	2.1
343.11899	0.6
403.25180	0.4
641.19977	0.6
671.19885	100.0
672.20160	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	670.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90975	0.2
59.01379	1.6
61.98833	100.0
62.98533	0.2
69.03457	0.2
71.01388	1.0
71.74836	0.1
71.75272	0.2
78.95918	0.3
80.02715	0.2
81.03474	0.3
83.05057	0.6
87.00888	0.3
87.30066	0.1
87.54627	0.1
89.02460	0.7
92.21726	0.1
95.05051	0.3
96.95395	0.1
97.02956	0.5
99.00870	0.1
101.02469	0.5
109.06612	1.3
113.02482	0.4
121.06591	0.2
125.09747	0.3
130.91820	0.1
135.08211	0.4
145.03008	0.2
152.99673	0.2
161.04552	0.2
163.11310	1.2
165.12900	0.2
169.12430	0.2
171.10306	0.3
181.12361	0.4
183.14000	0.3
185.11919	0.3
194.46945	0.1
195.13866	0.2
196.99602	0.1
197.11870	0.5
201.11369	0.2
205.12404	0.2
207.10284	4.8
209.11847	9.4
210.12201	0.9
211.13440	0.4
212.13818	0.1
221.11949	0.3
223.13399	0.9
224.13747	0.7
225.11336	3.9
225.13480	0.2
227.12915	2.0
228.13254	0.2
235.08200	0.4
249.11372	0.2
253.09259	1.0
285.04080	0.5
317.21307	0.5
327.21759	0.2
355.22946	0.2
399.21826	0.4
417.22757	0.4
443.19403	0.4
445.20673	0.2
461.20279	1.1
515.30536	0.3
517.31769	0.5
635.30115	0.9
652.30902	0.3
653.31610	1.4
670.31378	1.2
671.32544	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	670.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98831	100.0
62.98554	0.2
67.70728	0.2
71.01360	0.3
71.69828	0.3
73.14816	0.2
78.95934	0.5
96.96009	0.2
97.06658	0.2
97.22083	0.2
125.02480	0.2
125.09745	0.4
152.99554	0.2
157.70782	0.2
207.10269	0.3
209.11954	0.8
225.11382	0.6
256.99295	0.2
308.89517	0.3
328.89288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62772	1.2
55.81577	1.4
57.03425	1.3
57.44325	1.3
58.52069	1.6
59.01379	100.0
61.69107	1.2
61.98833	45.3
63.02849	1.2
63.85191	1.4
68.70413	1.2
69.03462	2.4
69.48157	12.6
71.01385	55.2
73.02933	1.4
78.95911	13.4
83.01380	1.4
83.05050	2.3
84.85926	1.2
85.02952	2.6
92.10020	1.2
93.24744	1.4
97.02964	6.6
97.06599	2.9
105.07137	1.1
109.06586	5.5
111.08183	3.0
112.37812	1.2
117.03492	10.5
119.05046	1.7
123.04513	2.1
125.09722	4.2
127.11297	1.5
135.08209	1.9
137.09781	1.4
139.07622	1.7
145.02974	63.7
146.03293	3.6
151.11203	2.0
152.99628	9.2
163.11296	8.3
165.12874	3.8
171.10291	30.4
179.10756	1.9
181.12317	3.8
185.11845	6.5
197.11829	4.3
199.09804	2.5
201.11333	16.1
202.67491	1.2
207.10263	12.1
209.11852	20.1
210.12134	2.3
211.13333	4.0
215.12848	1.8
223.09779	1.6
223.13374	6.7
225.11288	33.6
226.11617	3.1
227.12883	3.7
243.12309	3.2
247.20671	2.6
267.78644	1.4
291.19653	31.7
292.19855	2.8
293.21033	1.5
307.19174	1.8
309.20691	46.7
310.20987	4.5
359.12674	4.3
377.13513	2.1
445.19962	3.8
633.38055	67.9
634.38501	17.7
651.30499	3.3
669.33075	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	669.3865
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
50.58083	0.2
51.98243	0.2
57.03447	1.2
59.01378	2.7
61.98829	4.1
69.03453	0.2
71.01379	1.1
71.10040	0.3
71.10363	0.3
73.02956	0.7
77.32085	0.2
83.01412	0.3
85.02954	1.3
85.29179	0.2
87.00880	0.8
89.02448	0.9
90.45497	0.2
95.74705	0.2
98.20537	0.2
99.04546	0.6
101.02457	1.0
108.02251	0.4
111.04533	0.3
111.08193	0.7
112.53519	0.2
113.02481	0.7
113.06104	0.5
121.06557	0.3
123.00957	0.3
123.04535	0.6
124.01692	0.6
125.02460	1.6
125.09740	0.2
135.08224	0.7
136.05293	0.6
137.06093	0.5
145.02977	0.4
148.05321	0.4
149.06105	5.9
149.99640	0.3
150.06886	45.1
151.07231	2.2
152.01205	0.3
153.09245	0.6
155.10738	0.3
157.08713	0.5
161.04578	0.2
161.05992	0.2
161.09724	1.1
162.06894	0.7
163.07674	8.8
163.11276	0.3
164.08456	6.4
165.05672	0.2
167.03580	0.4
168.00668	0.7
169.01411	0.8
169.12372	0.7
171.10255	0.5
174.99883	0.2
176.08418	1.8
177.09248	0.8
178.10016	3.5
179.10794	14.4
180.11101	0.8
193.08646	0.4
195.13734	0.2
207.10312	0.7
209.11761	0.3
225.11337	0.6
225.14880	0.2
241.14534	0.7
263.20193	0.5
279.23209	0.6
281.21191	1.0
283.19180	0.4
313.68353	0.2
325.23792	1.4
327.21759	5.7
328.22177	0.9
362.79568	0.2
365.84805	0.2
428.29486	1.0
429.29727	0.3
430.30807	0.3
443.31604	0.9
444.32278	0.4
445.33499	0.3
446.30353	8.5
447.30725	1.6
460.31943	1.4
461.32697	10.8
462.33121	2.0
482.41449	0.2
488.31384	1.9
489.32239	2.9
490.32645	0.5
491.34125	0.4
506.32480	2.9
507.33228	29.4
508.33612	5.9
549.34399	0.3
609.37085	0.2
651.29285	0.3
669.38721	100.0
670.39093	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09713	0.4
55.01865	0.4
55.42112	0.4
57.03438	1.5
59.01081	0.8
59.01381	15.5
61.48497	0.4
61.98831	14.1
69.03466	2.0
71.01385	7.9
71.05035	0.6
73.02956	1.9
75.00865	0.4
78.95920	1.3
81.03458	0.9
83.01393	0.6
83.05035	1.7
85.02952	2.7
85.06596	0.7
85.12447	0.4
87.00879	1.4
87.83238	0.4
89.02448	4.1
93.03473	0.6
95.01385	0.9
95.05058	0.9
97.02943	0.7
97.06574	1.0
99.00856	0.5
99.28657	0.5
101.02457	5.7
109.06590	2.9
110.03773	0.5
111.08169	1.3
113.02445	3.3
119.03503	1.2
120.72791	0.4
121.03010	0.5
125.09686	0.8
133.05154	0.5
136.97601	0.4
141.09302	0.5
143.03532	0.6
145.05086	0.7
152.99590	0.5
161.04596	2.2
163.11307	1.6
165.12863	9.6
166.13016	0.5
167.10799	2.5
171.10233	1.3
176.50446	0.4
177.12857	1.1
179.05580	1.1
179.10814	1.6
179.14412	3.1
180.14771	0.6
183.13913	100.0
184.14247	5.5
195.13911	9.1
196.14232	0.7
197.11807	0.8
205.12341	8.7
206.12656	0.6
207.10281	5.0
209.09863	0.5
209.11833	10.6
210.12241	0.9
211.13406	4.7
221.11951	2.1
223.13393	50.1
224.13716	5.1
225.11389	2.6
227.12903	8.2
229.64044	0.6
235.08151	4.0
239.12921	1.5
253.09238	5.7
325.20114	1.1
327.21985	2.0
349.29916	0.4
361.27518	0.7
407.27972	0.9
419.22787	1.2
445.20633	1.6
459.22308	3.6
460.22791	0.8
461.20352	0.6
463.21820	4.5
464.22040	0.7
487.34116	1.1
488.34369	0.7
489.35263	2.0
517.32214	0.5
609.36285	0.9
651.32684	1.3
669.34985	97.4
670.35352	21.9
670.46851	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41659	0.1
54.39853	0.1
54.73572	0.2
55.01892	0.4
57.03463	0.6
57.71400	0.2
59.01376	5.2
61.98826	1.3
65.04002	0.2
69.03453	2.2
69.03773	0.2
71.01382	4.2
71.05027	1.0
71.17171	0.4
72.99323	0.4
73.02935	0.8
80.02674	1.0
81.03467	1.0
83.01423	0.6
83.05030	4.2
83.05511	0.2
84.02168	0.9
85.02959	0.8
85.06625	0.5
87.00879	0.9
89.02445	2.4
89.68208	0.1
91.04033	0.2
93.03480	0.3
95.01440	0.3
95.05039	0.8
97.02972	0.3
97.06629	0.5
99.00903	0.3
99.08173	0.2
101.02454	3.7
101.03076	0.3
109.06596	0.8
111.08231	0.4
113.02467	2.3
119.03549	0.7
121.02982	0.2
123.08148	0.3
125.02486	0.3
125.06125	0.5
125.09755	0.5
131.03603	0.2
135.08194	0.5
135.11772	0.3
141.09265	0.2
143.03506	0.3
145.05128	0.4
149.04581	0.2
149.09723	0.7
153.09198	0.2
161.04570	1.8
161.09726	0.2
161.13417	0.5
163.11307	3.2
164.11726	0.2
165.12874	1.9
167.10802	3.5
169.12392	0.3
171.10260	1.8
177.09192	0.2
177.12891	0.5
179.05588	0.4
179.10805	1.2
179.14417	3.7
180.14735	0.2
181.12389	0.4
187.11314	0.3
191.10805	0.7
194.97513	0.2
195.13918	10.2
196.14253	0.8
197.11870	0.4
205.12355	9.9
206.12656	0.7
207.10292	0.4
209.11838	85.5
210.12173	5.1
211.13380	0.2
223.13391	100.0
224.13739	7.7
224.15401	0.1
225.11317	0.4
227.12888	14.7
228.13197	0.9
235.08232	3.8
253.09268	9.9
254.09625	0.5
261.14972	1.8
262.14966	0.3
269.71008	0.2
302.53125	0.2
397.23749	0.4
415.24792	0.4
433.25937	0.2
441.21484	0.8
445.20599	1.0
454.46185	0.2
459.22321	11.8
460.22623	1.6
478.71945	0.2
517.31616	1.6
518.32172	0.2
544.39966	0.2
609.38660	0.2
624.19794	0.2
633.32794	0.8
634.32703	0.2
651.33691	1.1
652.33307	0.3
669.31305	1.7
670.31793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
59.01377	3.2
59.50499	0.3
61.98832	7.4
69.03445	0.3
71.01376	1.9
71.05902	0.3
73.02963	0.7
85.02973	0.7
87.00897	0.3
88.98853	0.5
89.02445	1.1
93.03493	0.3
101.02454	1.2
109.02953	0.3
111.08197	0.6
113.02450	0.8
116.92922	0.5
119.05080	0.4
121.02953	0.4
123.00922	0.4
124.01620	0.5
125.02447	1.3
145.02939	0.5
149.99599	0.6
163.04086	0.4
165.12859	17.4
166.13197	1.2
168.00653	0.9
169.01404	1.2
183.13911	82.5
184.14256	5.3
209.11827	1.4
227.12891	100.0
228.13216	6.6
267.10861	0.5
285.04108	0.5
355.24622	0.6
356.58606	0.3
437.24152	0.5
503.32355	0.5
651.80707	0.3
665.28564	1.9
665.38947	1.9
666.28473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03460	0.7
59.01379	7.4
61.98830	12.4
66.44788	0.5
69.03458	4.7
71.01382	5.6
71.05021	1.1
71.68290	0.7
73.02958	0.9
78.95923	1.2
83.01393	0.9
83.05040	1.5
85.02963	1.6
87.00887	1.3
89.02462	2.9
95.01366	0.6
95.05035	0.8
97.02961	1.0
97.06618	1.0
99.00903	0.7
101.02451	3.8
106.04247	0.5
109.06599	1.6
111.00904	0.5
113.02477	2.6
115.34829	0.5
123.08173	1.2
125.02480	0.8
125.09726	2.5
137.09801	1.2
149.06087	0.6
151.11310	2.2
152.99535	0.5
153.12875	1.1
161.04524	1.3
161.09752	3.7
162.83884	0.8
163.11325	1.8
164.83699	0.6
171.10286	0.7
179.10783	6.8
183.13924	0.6
191.10895	0.7
195.13841	0.5
197.11841	38.1
198.12160	2.2
205.08624	0.7
207.10307	4.1
209.11836	83.4
210.12190	5.8
211.13406	3.8
221.11809	1.5
223.09778	1.3
223.13327	3.7
225.00433	0.6
225.11395	3.5
227.12912	2.5
235.08208	2.0
239.12939	1.4
241.10852	1.7
253.09256	3.6
305.21295	0.9
307.22745	8.0
308.23135	0.8
325.20163	0.6
327.21881	0.8
459.18506	0.9
463.20993	0.6
477.19858	1.5
490.58456	0.6
505.35168	4.3
506.35602	1.1
586.47180	0.6
651.31384	1.8
665.64429	0.6
669.31342	100.0
670.31635	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
61.98832	100.0
68.99583	0.1
71.20695	0.1
77.99851	0.1
98.20660	0.3
101.02487	0.1
110.17817	0.1
204.71716	0.1
210.09894	0.1
224.22542	0.1
230.20934	0.2
318.52664	0.2
438.57953	0.2
552.19702	0.2
610.06995	0.1
628.21423	0.4
629.21704	0.3
664.38922	0.2
665.37732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50180	0.3
55.01873	0.6
57.03455	0.5
58.00605	1.4
59.01381	34.3
60.01711	0.3
70.28992	0.7
71.01386	18.2
72.01729	0.3
72.99309	1.3
73.02954	0.5
75.40439	0.2
77.31984	0.2
83.01392	1.1
83.57103	0.3
85.02956	3.4
87.00890	1.5
89.02455	23.4
90.02806	0.5
95.01398	1.4
98.42371	0.3
101.02456	14.2
101.44682	0.3
102.02811	0.4
113.02461	7.8
114.02829	0.3
119.03517	8.8
131.03523	0.6
143.03519	0.8
143.07135	0.5
149.04533	0.4
161.04550	0.6
161.08284	0.3
175.02477	0.4
179.05592	0.9
203.63580	0.2
238.91292	0.2
247.70329	0.2
323.13480	100.0
324.13831	9.0
428.75998	0.2
591.89734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
61.98830	2.0
68.94823	0.2
69.54539	0.7
69.54971	1.0
78.95924	0.2
79.97206	0.2
84.39433	0.2
95.05035	0.3
95.11046	0.2
98.19906	0.4
105.03451	1.1
105.21331	0.2
106.41206	0.2
117.03476	0.2
119.05078	0.4
123.04604	0.2
132.02194	11.4
133.02983	8.4
134.03772	5.6
135.04532	0.2
136.01697	0.4
137.02472	0.5
147.04533	0.5
149.06117	1.4
153.05571	0.2
160.01680	65.6
161.02057	3.0
175.04028	84.2
176.04361	4.3
177.01956	1.7
178.02696	0.6
193.05084	5.1
194.05493	0.3
197.11647	0.2
237.86229	0.2
409.27521	0.4
413.19922	0.2
423.29065	0.3
425.30566	0.5
437.30283	0.4
439.32123	0.4
455.31653	0.6
456.32114	0.2
467.31741	0.7
469.33328	1.1
471.34695	0.3
487.34418	0.4
501.31995	0.3
513.32404	0.4
589.35846	0.4
648.36932	1.4
649.37305	0.4
663.39081	100.0
664.39410	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	663.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41762	0.3
59.01390	0.8
61.98836	5.2
62.49623	0.4
71.67344	0.5
71.67729	0.4
78.26758	0.4
78.95937	0.4
91.99963	0.4
93.03508	0.4
96.09351	0.4
105.03481	1.4
108.46858	0.4
119.04984	0.4
132.02182	9.3
133.02980	9.7
133.03979	0.5
134.03780	5.7
137.02457	0.4
147.04500	0.5
149.06076	1.3
160.01677	53.3
161.02043	2.6
175.04018	65.8
176.04358	4.0
177.01941	2.4
193.05090	4.2
202.72108	0.4
348.05832	0.4
413.19894	0.4
455.31213	0.5
467.31839	0.7
469.33350	1.2
487.34097	0.7
513.32025	0.5
589.34918	0.5
619.40265	0.4
648.36670	1.7
663.39105	100.0
664.39429	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.5
59.01381	8.2
60.99292	0.4
61.98833	15.2
69.47610	0.5
69.48020	2.1
71.01388	4.1
72.99307	0.4
73.02940	0.9
75.00872	0.4
76.78735	0.2
78.95875	0.3
83.01387	0.5
83.05043	0.3
85.02966	0.9
88.98808	0.5
89.02456	2.6
95.01393	0.3
96.96023	0.5
101.02464	2.1
101.75700	0.2
113.02457	2.2
116.92879	1.2
117.44698	0.3
119.03512	0.7
123.00861	0.3
125.02460	0.6
131.03531	0.3
143.03558	0.3
161.04623	0.6
168.00760	0.4
169.01466	0.3
175.02519	0.3
203.79782	0.3
240.22911	0.3
240.36531	0.2
283.10376	0.7
322.09924	0.3
328.02744	0.3
337.23792	0.6
402.24182	0.4
405.28003	4.7
406.28241	0.6
409.27692	0.5
419.29654	0.4
421.31094	10.9
422.31436	2.5
435.32675	0.4
439.32184	10.1
439.38208	0.6
440.32611	1.7
441.30093	10.2
442.30548	2.3
455.31522	0.3
483.31049	1.0
501.32214	25.7
502.32471	4.5
515.34460	0.3
536.00964	0.3
543.33105	2.2
544.33716	0.7
573.34564	0.3
603.35327	0.8
627.37970	0.4
663.37592	100.0
664.37927	25.0
664.49860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.4
59.01382	26.6
60.01685	0.3
60.99331	0.3
61.98833	10.7
69.03456	0.4
70.08586	1.8
71.01387	7.5
71.05029	2.2
72.99289	1.0
73.02943	2.4
75.00871	0.7
80.34976	0.3
83.01402	1.6
83.04997	0.4
85.02976	1.9
87.00811	0.3
88.98806	0.6
89.01975	0.5
89.02456	5.5
95.01367	0.8
96.96021	0.4
97.06573	0.3
101.01879	0.3
101.02467	4.5
113.02473	4.2
116.92854	2.0
119.03526	2.1
119.04914	0.5
125.02441	1.0
127.03968	0.5
131.03531	0.7
143.03456	0.5
161.04587	1.5
169.01370	0.7
169.12364	0.6
179.05569	1.1
209.11852	0.8
211.53569	0.3
227.12929	0.4
251.06520	0.3
253.09410	0.5
263.16415	1.0
319.22754	0.5
339.23367	0.3
367.71533	0.3
370.25186	1.2
371.25705	0.7
402.24167	2.1
421.31409	0.3
439.32126	2.9
441.30103	71.3
442.30460	11.3
456.32913	0.4
457.33331	5.0
458.33554	1.1
483.31152	6.8
484.31638	1.2
501.32202	100.0
502.32559	18.4
543.33215	7.9
543.41400	0.6
544.33594	1.6
573.34686	1.1
601.32458	0.4
603.35089	1.4
619.39966	0.4
663.28650	1.2
663.37695	29.4
664.27972	0.4
664.38239	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	663.3763
Annotation	Pinfaensin
Peak:m/z	Relative Intensity
55.01847	0.2
56.06547	0.2
57.29928	0.2
58.00603	0.5
58.81425	0.2
59.01381	36.4
60.01710	0.4
60.95170	0.2
61.98836	4.3
71.01385	5.8
71.01747	0.4
71.04615	0.8
71.05042	2.4
72.99336	0.4
73.02967	0.3
83.01432	0.3
85.02956	1.4
87.00903	0.4
89.02458	5.9
95.01408	0.5
101.02462	3.4
101.03094	0.4
112.56553	0.2
113.02460	2.2
116.92886	0.8
119.03548	1.9
121.03006	0.5
143.03497	0.5
161.04625	0.4
179.05588	0.4
209.11911	0.4
234.68405	0.2
263.16568	0.9
271.17151	0.4
277.52292	0.2
370.25272	1.1
371.25787	0.4
402.24258	1.1
439.32431	0.7
441.30090	46.1
442.30466	7.3
483.31152	25.3
484.31467	4.0
501.32202	100.0
502.32547	16.8
543.33545	1.2
601.33228	0.3
663.29065	0.5
663.37683	14.7
664.28064	0.4
664.38135	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	663.3763
Annotation	Pinfaensin
Peak:m/z	Relative Intensity
58.00604	0.5
59.01377	3.9
60.99332	0.8
61.88917	0.2
61.98831	6.6
63.68560	0.2
68.99844	0.3
71.01390	2.6
71.01740	0.2
71.71697	0.2
72.99331	0.4
73.02970	0.3
75.00895	0.3
85.02981	0.4
88.98849	0.2
89.02438	1.4
91.93176	0.2
101.02448	1.1
113.02496	0.7
116.92898	1.1
119.03535	0.4
125.02464	0.3
134.56653	0.2
147.03069	0.2
161.04681	0.2
171.10248	0.3
193.32516	0.2
246.93250	0.2
268.77505	0.2
309.77765	0.2
365.28461	0.2
393.31747	0.4
404.88651	0.2
405.27985	3.3
406.28461	0.6
409.27087	0.2
411.53336	0.2
417.37280	0.2
421.31094	16.7
422.31439	3.4
423.29019	0.2
425.30719	0.3
435.32407	0.4
437.31091	0.2
438.31439	0.5
439.32162	17.0
440.32541	3.4
453.33835	0.4
455.31763	1.0
457.33044	0.2
471.30933	0.3
483.31140	1.2
484.31586	0.2
501.32196	38.8
502.32513	6.6
515.33966	0.2
543.33124	3.5
544.33685	0.8
577.18243	0.2
603.35449	0.4
604.36224	0.2
663.37549	100.0
664.37897	24.0
681.38953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20779	0.9
57.20759	0.9
59.01379	22.5
61.98833	60.6
65.98484	1.0
71.01384	9.4
71.01698	1.0
71.76298	1.8
72.99311	7.2
73.02967	2.9
76.88006	0.9
79.62910	1.0
81.03461	1.7
83.01411	3.2
85.02549	0.9
85.02955	5.2
87.00885	1.9
88.98808	6.1
89.02453	5.2
94.03018	3.8
94.06655	1.1
95.01414	1.2
95.05045	1.0
96.96040	3.8
97.03023	1.3
101.02480	4.2
107.01440	4.9
108.04597	3.0
109.02965	1.3
110.06153	3.4
111.00928	1.6
113.02494	3.3
116.92879	6.1
119.03552	1.2
120.08249	2.5
121.03045	1.1
121.05392	1.1
122.06141	10.3
123.00961	2.4
124.04070	4.9
125.02457	23.5
125.03284	1.8
126.02766	5.2
126.90444	1.5
127.02916	1.2
135.04576	1.8
136.04086	4.5
137.02505	1.6
137.04866	3.1
138.05630	5.2
139.00465	1.4
140.01260	1.3
144.04626	1.8
147.05704	2.6
149.06140	1.4
150.03256	2.6
150.05623	6.8
151.00415	1.8
153.01971	1.8
161.03603	1.4
161.04825	3.9
161.06100	1.4
162.05602	2.1
163.06516	1.2
164.04886	1.3
165.01945	2.4
165.05556	2.4
167.03523	1.5
167.07207	2.1
168.00700	2.2
169.01450	32.7
170.01767	8.4
171.01900	5.1
174.05597	5.2
175.05188	2.9
179.07195	1.8
180.07597	1.5
181.04932	1.1
186.12984	2.2
187.06313	1.1
187.11348	2.9
192.06619	1.5
193.03754	1.4
195.06734	2.5
197.76709	1.1
201.10350	15.7
201.12067	1.2
202.12556	1.1
203.05974	2.6
203.11967	1.7
205.12427	1.2
211.08830	1.5
213.10344	10.2
214.10901	1.5
215.11981	2.7
227.11757	4.8
229.09854	23.0
229.13313	6.9
230.10106	1.5
237.10385	2.4
239.11870	8.6
241.09924	3.6
245.13113	3.1
247.10941	3.4
251.11803	1.2
255.11406	5.5
257.12946	5.7
267.11420	2.8
271.11087	1.6
273.12494	5.5
275.13989	1.2
281.09283	1.3
283.10944	4.6
285.12817	1.5
289.12039	6.2
291.11624	1.3
297.08984	1.0
297.12479	1.2
301.11908	26.9
302.12418	2.3
309.12650	1.5
312.32620	1.0
313.12479	2.0
314.13354	2.0
319.12994	100.0
320.13318	10.4
327.13266	5.4
330.12570	2.0
331.13245	1.0
342.12527	1.2
343.13190	4.5
344.14307	1.4
358.15643	1.7
360.13254	1.2
370.11456	1.2
370.15851	1.5
372.13605	3.6
374.14893	1.3
376.16916	1.8
376.68182	1.2
377.13940	1.1
379.19025	1.1
386.15149	5.5
387.15927	1.8
388.16846	3.2
390.14413	1.4
400.16748	2.4
403.15363	2.8
404.16077	10.8
405.16870	3.6
406.18054	1.6
414.14816	3.6
416.16266	2.1
418.13977	2.3
419.15045	2.6
428.16299	2.0
429.16739	1.6
432.15594	5.8
437.16116	5.9
446.17331	5.6
447.18253	3.5
482.25262	1.1
483.22623	3.2
509.22079	1.6
515.23438	2.2
519.26123	2.4
527.23218	7.1
528.23523	1.5
539.22986	2.0
545.24091	14.4
546.24725	2.7
551.23254	2.4
569.24237	11.9
570.24823	1.6
571.22388	1.7
587.25098	54.7
588.25482	11.8
590.24286	3.2
591.25165	2.0
601.25232	3.4
613.23157	8.4
614.24475	1.7
631.24194	79.5
632.24658	15.8
645.25818	6.6
645.37286	1.7
663.27094	64.7
664.27368	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	663.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.5
59.01122	0.7
59.01386	6.6
59.46591	0.5
60.99300	0.9
61.98833	21.7
65.00345	1.0
67.01901	1.4
69.03459	0.7
71.01399	4.5
71.72136	0.8
72.99317	1.3
73.02947	1.8
82.02994	0.7
83.01405	1.3
85.02975	1.9
87.00898	1.5
88.98819	3.2
89.02464	3.8
93.03461	1.0
94.02996	5.5
95.01402	1.5
96.96023	1.9
97.02967	1.2
99.92637	0.7
101.02482	2.9
106.06617	0.6
107.05059	1.0
109.02981	1.8
111.00906	1.7
113.02460	2.5
114.93403	0.8
116.92876	3.8
119.05083	0.6
120.08218	5.8
120.99658	1.7
121.02982	1.4
122.06190	0.9
123.00898	2.6
123.04542	1.5
125.02509	3.5
134.06133	0.7
135.00922	0.7
136.01672	1.7
137.02461	19.6
138.03166	0.6
138.05632	2.6
139.00383	1.0
141.01970	0.7
147.00949	0.6
148.01724	0.7
149.02477	1.8
149.06082	1.1
150.03236	0.9
151.00381	1.5
151.04024	5.1
151.07564	0.7
152.01109	0.6
152.04744	0.6
153.05598	3.0
161.04639	0.7
161.05917	0.6
161.17857	0.6
162.03355	0.7
163.04010	1.5
164.01157	2.5
164.04768	1.3
165.01953	100.0
165.05585	2.0
166.02298	4.5
166.99872	0.6
167.03535	1.0
168.00592	0.9
169.01447	4.5
170.01859	0.6
176.01173	0.9
177.01929	0.8
177.05617	0.7
179.03525	32.8
179.07156	2.1
180.04305	63.6
181.05080	51.8
182.05708	4.2
191.05684	0.9
194.05862	8.3
195.03050	3.1
195.06641	89.4
196.07404	42.1
197.08150	5.8
201.11391	1.1
205.05013	3.5
209.08299	0.6
210.05373	12.6
211.09770	38.8
212.10094	3.5
225.07692	93.3
226.07999	6.0
227.09251	1.1
227.12975	0.9
234.98080	0.6
257.13016	0.6
281.06595	1.4
285.03900	0.6
315.08823	0.7
319.12943	3.0
327.09250	0.9
329.10440	1.2
330.12173	1.0
341.10965	0.7
343.08096	1.3
343.12961	0.7
344.08737	0.6
344.14090	2.2
345.14050	1.3
358.15723	1.6
359.11227	2.9
360.11685	0.7
360.17065	2.6
363.10608	0.8
372.17236	1.0
373.08875	0.8
373.12875	2.5
373.17047	0.7
374.13754	2.5
388.11487	1.0
389.11652	1.1
389.16147	13.7
390.16592	1.9
400.16605	2.3
401.17242	0.8
402.18445	0.7
403.14001	42.9
404.14307	4.9
430.17545	1.7
431.18295	1.5
434.17120	3.7
435.17529	1.0
437.17883	2.9
451.16107	18.2
452.16422	1.9
474.16592	1.4
475.17230	1.3
501.31638	0.7
506.19202	1.3
527.23132	0.8
569.23907	1.2
585.19763	0.9
587.24957	6.9
588.26117	1.2
601.28412	2.5
613.22675	0.7
615.24646	15.9
616.24939	3.3
631.24146	7.9
632.24622	1.7
645.25281	2.1
663.26898	14.1
664.26813	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	663.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.5
59.01122	0.7
59.01386	6.6
59.46591	0.5
60.99300	0.9
61.98833	21.7
65.00345	1.0
67.01901	1.4
69.03459	0.7
71.01399	4.5
71.72136	0.8
72.99317	1.3
73.02947	1.8
82.02994	0.7
83.01405	1.3
85.02975	1.9
87.00898	1.5
88.98819	3.2
89.02464	3.8
93.03461	1.0
94.02996	5.5
95.01402	1.5
96.96023	1.9
97.02967	1.2
99.92637	0.7
101.02482	2.9
106.06617	0.6
107.05059	1.0
109.02981	1.8
111.00906	1.7
113.02460	2.5
114.93403	0.8
116.92876	3.8
119.05083	0.6
120.08218	5.8
120.99658	1.7
121.02982	1.4
122.06190	0.9
123.00898	2.6
123.04542	1.5
125.02509	3.5
134.06133	0.7
135.00922	0.7
136.01672	1.7
137.02461	19.6
138.03166	0.6
138.05632	2.6
139.00383	1.0
141.01970	0.7
147.00949	0.6
148.01724	0.7
149.02477	1.8
149.06082	1.1
150.03236	0.9
151.00381	1.5
151.04024	5.1
151.07564	0.7
152.01109	0.6
152.04744	0.6
153.05598	3.0
161.04639	0.7
161.05917	0.6
161.17857	0.6
162.03355	0.7
163.04010	1.5
164.01157	2.5
164.04768	1.3
165.01953	100.0
165.05585	2.0
166.02298	4.5
166.99872	0.6
167.03535	1.0
168.00592	0.9
169.01447	4.5
170.01859	0.6
176.01173	0.9
177.01929	0.8
177.05617	0.7
179.03525	32.8
179.07156	2.1
180.04305	63.6
181.05080	51.8
182.05708	4.2
191.05684	0.9
194.05862	8.3
195.03050	3.1
195.06641	89.4
196.07404	42.1
197.08150	5.8
201.11391	1.1
205.05013	3.5
209.08299	0.6
210.05373	12.6
211.09770	38.8
212.10094	3.5
225.07692	93.3
226.07999	6.0
227.09251	1.1
227.12975	0.9
234.98080	0.6
257.13016	0.6
281.06595	1.4
285.03900	0.6
315.08823	0.7
319.12943	3.0
327.09250	0.9
329.10440	1.2
330.12173	1.0
341.10965	0.7
343.08096	1.3
343.12961	0.7
344.08737	0.6
344.14090	2.2
345.14050	1.3
358.15723	1.6
359.11227	2.9
360.11685	0.7
360.17065	2.6
363.10608	0.8
372.17236	1.0
373.08875	0.8
373.12875	2.5
373.17047	0.7
374.13754	2.5
388.11487	1.0
389.11652	1.1
389.16147	13.7
390.16592	1.9
400.16605	2.3
401.17242	0.8
402.18445	0.7
403.14001	42.9
404.14307	4.9
430.17545	1.7
431.18295	1.5
434.17120	3.7
435.17529	1.0
437.17883	2.9
451.16107	18.2
452.16422	1.9
474.16592	1.4
475.17230	1.3
501.31638	0.7
506.19202	1.3
527.23132	0.8
569.23907	1.2
585.19763	0.9
587.24957	6.9
588.26117	1.2
601.28412	2.5
613.22675	0.7
615.24646	15.9
616.24939	3.3
631.24146	7.9
632.24622	1.7
645.25281	2.1
663.26898	14.1
664.26813	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	663.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03448	2.9
59.01083	0.6
59.01379	7.3
67.01871	0.5
67.50541	0.4
68.99839	0.6
69.03455	4.4
71.01387	11.8
71.67265	0.8
72.99322	1.3
73.02950	15.1
73.14520	0.4
81.03465	0.8
83.01392	1.6
84.84601	0.4
85.02957	26.7
86.03314	0.9
86.29346	0.5
87.00882	100.0
88.01207	2.3
89.02454	1.5
95.01392	4.3
97.02960	25.2
98.03276	0.6
99.00900	1.0
101.02436	2.5
103.04018	11.7
103.33475	0.4
109.02924	0.7
111.00868	0.9
111.16412	0.5
113.02464	9.1
115.00387	10.4
115.04025	3.3
129.01965	1.9
135.49654	0.5
141.01968	1.4
141.66608	0.4
151.69145	0.5
157.01445	9.0
158.40727	0.4
159.03040	1.7
175.02495	71.6
176.02835	2.7
177.53491	0.4
212.98944	1.2
217.03528	17.3
218.03877	1.5
261.01062	1.1
303.07214	45.9
304.07578	3.4
321.08276	56.8
322.08594	4.3
322.11667	1.3
335.65201	0.5
341.10806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49672	0.9
52.67768	0.8
57.03456	1.8
58.00591	2.7
59.01382	50.9
61.98840	10.3
69.03463	1.2
69.58823	4.9
69.59224	2.5
71.01388	47.4
72.99317	3.9
73.02953	2.5
74.23832	0.9
74.62219	0.8
78.95901	5.3
80.96526	1.1
83.01394	5.3
85.02964	8.9
87.00881	12.1
89.02457	53.5
90.02779	1.0
95.01403	2.4
96.01968	1.0
97.02972	2.5
98.17220	1.0
98.19807	1.8
99.00905	2.1
101.02457	26.1
112.95618	0.8
113.02468	22.1
119.03518	19.0
125.02462	2.0
129.01944	1.1
131.03522	2.9
132.23776	0.8
134.03732	1.1
137.09715	1.0
141.01967	1.0
143.03506	7.4
149.04579	1.1
152.99580	3.7
160.01698	2.4
161.04573	10.1
175.04027	2.6
179.05640	21.3
180.06000	1.3
193.05075	1.0
209.11913	1.2
217.61299	0.9
277.21738	100.0
278.22061	10.2
291.23306	4.9
297.33835	0.8
319.22754	4.8
323.09833	32.1
324.10172	2.1
331.22549	0.9
341.10913	59.9
342.11255	4.4
416.52264	1.1
577.27130	1.4
601.32251	17.3
602.32440	3.6
617.38788	2.5
661.35883	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	661.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13343	0.2
50.77337	0.2
50.97672	0.2
55.01874	0.2
57.03445	0.2
58.00582	0.4
59.01382	6.3
60.99294	0.7
60.99565	0.2
61.98833	2.1
69.49290	1.1
69.49725	0.7
71.01383	3.0
72.99306	0.3
73.02929	0.4
75.00858	0.3
83.01424	0.3
83.05058	0.2
85.02951	0.8
87.00885	0.2
89.02451	2.3
95.01364	0.2
95.80128	0.2
95.95510	0.2
97.26067	0.2
101.02457	1.5
113.02440	1.0
119.03505	0.7
119.08667	0.8
151.11264	0.3
161.04631	0.3
169.12383	1.3
170.12692	0.5
171.10425	0.3
171.12885	0.2
183.13998	0.3
194.27742	0.2
209.11842	0.8
210.12163	0.5
211.13348	0.6
214.11633	0.2
215.13014	0.2
258.77466	0.2
292.84125	0.2
363.26981	0.2
378.58371	0.2
403.26242	1.8
404.26813	0.4
405.28244	0.3
419.29572	8.0
420.30005	1.7
425.29254	0.3
437.30643	6.5
438.31049	1.5
453.30197	0.5
454.30643	1.6
455.31506	1.7
456.31656	0.3
457.33328	0.3
481.29602	0.3
487.30646	0.3
499.30652	20.6
500.31128	3.9
501.32288	0.3
541.31458	1.6
542.32056	0.2
601.35425	0.5
661.36005	100.0
662.36365	24.0
663.37134	0.4
679.37012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2149
Annotation	BK 223B
Peak:m/z	Relative Intensity
50.19415	0.2
53.95796	0.3
57.03459	0.3
58.00585	0.4
59.01377	4.9
61.98831	1.1
67.01878	0.6
69.03459	2.1
71.01380	1.7
71.03452	0.8
72.99322	0.5
73.02950	0.7
79.01917	0.7
81.03474	0.5
83.01383	0.6
85.02959	1.0
87.00883	0.6
87.67466	0.3
88.98820	0.5
89.02459	1.3
90.36153	0.2
95.01397	0.6
96.96035	0.6
97.02954	1.4
101.02464	0.9
103.04025	0.5
107.01403	16.1
108.01694	0.3
109.02951	0.3
111.00930	0.3
113.02449	0.4
116.92883	0.6
119.03490	0.3
119.04964	0.3
122.03765	0.8
122.04608	0.3
123.00905	2.3
123.04492	0.4
124.01653	1.0
125.02462	74.7
126.02769	2.3
134.03767	4.4
135.04506	0.9
137.02466	1.0
138.38701	0.3
139.00380	0.7
139.04068	0.3
140.01163	0.6
141.01965	0.4
146.03763	7.7
147.04544	2.5
149.06099	5.4
150.03244	0.7
151.00365	1.3
153.01912	0.3
161.06116	3.9
162.03271	0.4
163.06122	1.3
164.04826	4.7
165.01964	2.9
165.05530	0.7
166.02728	1.3
167.07152	10.8
167.08577	0.5
168.00641	1.3
168.07599	0.4
169.01442	100.0
170.01776	4.0
170.53065	0.3
175.04042	0.4
179.03598	0.8
179.07155	10.9
180.04294	2.0
180.07408	0.5
181.05099	3.5
183.02983	1.1
190.06374	0.5
193.08720	0.4
195.06631	2.3
199.73856	0.3
205.08710	0.6
211.89445	0.3
225.07652	2.3
289.12469	0.3
311.11435	0.4
313.12936	14.6
314.13379	1.3
339.14429	0.3
347.07800	4.0
348.08154	0.4
357.13318	0.5
367.14041	1.9
405.15552	0.5
441.28867	0.3
461.18021	0.5
473.18307	0.7
491.19290	1.3
509.20178	2.6
510.20618	0.6
564.92828	0.3
643.20294	1.4
661.21405	49.6
662.21729	11.6
662.31042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
67.15169	0.7
71.01369	3.0
71.29337	2.1
73.71944	0.7
78.95910	2.1
85.02959	1.3
87.00883	1.2
95.01398	1.3
115.00356	1.6
115.50079	0.9
119.05050	0.8
121.02936	1.5
121.99240	0.8
123.00916	3.2
125.02472	3.7
132.68321	0.8
133.01443	5.3
137.02493	1.6
145.02985	1.2
151.04031	0.9
152.01187	1.4
158.92596	1.1
160.03984	0.9
161.02498	1.4
165.01898	1.0
167.03560	1.0
169.01463	3.4
171.04579	1.5
173.02487	1.3
174.03287	1.1
179.03545	1.1
185.02477	0.8
187.00322	1.1
187.03957	0.9
188.01118	1.0
189.01965	1.7
190.02734	1.0
192.46878	0.8
197.02443	1.0
199.04031	1.0
200.01233	1.4
201.01891	2.6
201.99040	1.2
213.01854	1.2
214.02779	1.1
214.99786	1.5
215.03500	0.9
216.00716	1.3
217.01346	1.6
221.05995	0.9
223.04066	1.2
225.05481	1.0
227.03450	1.0
229.01422	2.8
230.02213	1.3
230.99446	1.0
231.02922	1.0
235.03978	2.0
238.02644	0.9
239.03552	1.2
241.01402	1.9
242.02180	2.0
242.99409	1.7
243.02843	1.1
245.00903	3.8
251.03461	2.6
255.02969	1.2
257.00873	3.6
258.01602	3.2
258.98920	2.1
259.02304	1.7
263.03491	2.1
265.05014	1.1
266.02075	1.6
267.02872	2.3
269.00916	3.6
271.02289	1.0
273.00391	9.8
274.01224	8.5
275.01843	6.6
277.01740	1.0
278.02084	1.3
279.02954	4.1
281.04529	1.6
283.02417	2.1
283.99609	1.9
284.03064	1.0
285.00394	4.3
285.06311	1.7
286.01251	1.1
287.02029	3.5
291.02966	1.6
293.00900	1.2
293.04355	1.6
295.02496	3.3
296.03146	1.2
297.00348	1.5
297.03647	1.1
298.01236	1.7
299.01782	1.3
299.99139	1.7
300.99844	4.9
301.03558	3.6
302.00504	2.2
305.04486	1.8
306.01669	1.2
307.02493	3.9
308.03354	1.2
309.04016	1.1
311.02029	3.1
312.02713	2.4
312.99777	2.6
314.00620	3.1
315.01480	2.7
319.02652	1.6
320.03207	1.2
321.00406	2.4
321.03845	1.6
322.00919	1.2
323.01999	2.7
324.02878	1.6
324.99765	1.0
325.03503	1.0
327.01367	1.8
333.04196	1.1
335.02112	5.2
336.02399	1.2
337.03690	1.7
339.01404	1.3
340.02258	6.9
340.99304	1.2
341.02847	1.1
347.01859	1.6
348.02451	1.1
349.03500	2.4
350.00592	2.1
351.01440	6.5
352.02164	1.7
353.03070	3.1
360.99896	1.6
362.00580	1.4
363.01404	3.7
364.02182	1.7
365.03116	1.9
367.00940	5.0
368.01459	1.1
375.01501	2.0
376.99042	1.6
377.02969	2.7
379.00830	6.8
379.04837	1.4
380.01608	3.2
381.02438	3.5
382.03171	1.3
389.03085	1.1
389.99640	1.3
391.00882	4.2
392.01212	1.4
393.02664	4.0
394.99997	1.8
395.04520	1.2
397.01807	1.5
403.01028	1.5
405.99460	1.6
407.00449	10.2
408.00919	2.9
409.01886	2.3
411.03342	1.5
419.00415	1.7
421.02045	3.0
422.99847	2.1
427.03226	1.8
432.98154	1.1
434.99643	9.1
436.00311	1.6
437.01465	1.7
447.00119	2.2
449.01453	1.0
451.02252	2.2
455.02542	13.6
466.02701	1.8
467.02383	2.3
481.00104	1.0
495.05890	1.8
497.03821	2.0
515.07007	1.0
540.05145	1.5
541.06274	1.5
567.03943	1.3
573.08844	1.0
585.05188	8.2
586.05646	1.2
611.03088	1.5
617.07874	4.9
629.04266	3.6
643.05792	5.0
661.06946	100.0
662.07184	17.8
665.99188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86029	0.2
55.01877	0.4
57.03444	0.5
58.00570	0.2
59.01377	6.2
60.91037	0.2
61.98831	14.8
67.01887	0.9
68.99820	0.4
69.03451	0.6
71.01380	3.5
71.67461	0.4
72.99307	0.7
73.02958	1.0
79.01894	1.1
81.03465	0.3
83.01392	1.3
83.05049	0.4
85.02950	1.6
87.00880	0.8
88.98821	0.7
89.02446	1.3
93.66204	0.2
95.01406	2.5
97.02964	0.8
99.00891	0.5
101.02456	2.1
107.01396	3.6
109.02950	0.4
110.00085	0.3
111.00877	2.1
113.02425	1.5
119.03536	0.3
120.44332	0.2
122.65199	0.3
123.00901	14.3
124.01637	0.8
125.02460	15.3
126.02803	0.6
127.00406	0.7
127.04010	0.6
131.03534	0.3
135.04523	0.3
136.98792	1.2
137.02444	0.6
139.00391	4.6
140.01186	3.2
141.01971	2.5
151.00394	8.8
151.03964	0.3
152.00729	0.5
153.01941	1.0
161.04559	0.4
163.04048	0.5
163.07611	0.2
163.11336	0.2
165.01979	0.3
165.05672	0.6
167.03485	0.3
168.00653	3.2
169.01450	19.1
169.12325	0.5
170.01788	1.0
171.10278	0.4
179.03520	0.3
179.10872	0.3
183.10258	0.4
185.11896	1.2
195.10269	0.7
197.11781	0.5
209.11841	2.8
210.12183	0.3
211.02481	1.5
213.11386	1.0
223.02394	0.3
227.12930	0.9
271.04416	1.2
313.05643	1.4
405.25012	0.3
421.75067	0.3
449.19955	0.3
479.30206	0.7
582.32990	0.4
599.34161	0.5
641.35986	0.3
659.36493	100.0
660.36902	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61631	0.6
57.03437	1.0
59.01384	10.1
61.98829	14.1
64.77205	0.6
69.03439	0.7
71.01022	1.0
71.01384	8.8
73.02960	1.4
73.50927	0.5
75.00925	0.6
78.95932	1.0
83.01398	1.1
83.05016	1.7
85.02973	1.8
87.00885	1.1
88.45847	0.5
89.02451	6.5
96.96033	0.7
97.06614	1.0
99.00908	1.1
101.02457	5.7
109.06593	0.6
111.00937	0.8
111.08174	1.5
113.02486	3.1
116.92894	1.8
119.03532	1.2
131.03522	1.0
143.03558	0.8
145.05136	0.8
149.04593	1.0
161.04593	3.2
165.12852	9.1
169.12369	2.5
171.10355	1.1
176.82181	0.6
179.05653	1.2
183.13918	99.4
184.14247	8.1
185.11879	3.8
195.13927	14.1
196.14259	1.1
197.11722	1.2
209.11868	12.3
210.12242	4.4
211.13455	20.4
212.13759	5.2
213.14984	84.3
214.15350	5.5
227.12895	7.8
228.13339	1.4
235.08301	2.6
253.09302	10.0
276.33136	0.7
314.60413	0.7
445.20648	1.3
447.22202	1.4
458.26804	0.6
463.21884	2.1
467.30188	2.3
599.34174	1.7
603.67279	0.6
641.34344	0.7
659.36633	100.0
660.36951	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	659.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
57.03456	1.3
59.01381	82.0
60.01719	0.9
61.98833	3.9
70.14948	0.3
71.01387	9.0
71.05012	0.4
71.23788	0.3
71.51402	0.8
72.01743	0.4
72.99339	0.5
73.02949	2.4
75.00866	0.4
83.01393	1.4
83.05085	0.3
85.02958	4.3
87.00903	0.8
89.02458	2.5
93.03490	0.4
95.01398	0.9
96.96030	1.2
97.02947	0.7
99.00908	1.0
99.04540	1.8
101.02458	5.9
107.01404	1.3
108.02235	0.4
109.06622	0.9
111.00903	0.5
111.21062	0.4
113.02467	4.0
117.94367	0.3
119.03571	0.8
119.10264	0.3
121.03017	0.5
121.06613	0.8
123.00935	0.8
125.02474	6.6
126.02806	1.3
127.02914	0.8
127.07686	0.8
135.04573	0.5
137.02487	1.7
137.09731	0.7
139.00412	0.7
139.07704	1.0
143.03558	0.6
147.47716	0.3
150.03271	0.6
151.00449	1.0
152.01180	0.7
153.01897	0.8
153.05627	0.4
153.09251	1.1
155.10797	3.3
156.10973	0.4
161.04593	1.2
162.03217	0.3
165.01968	4.0
165.05582	1.0
165.12894	1.1
166.02748	1.7
168.00665	0.5
169.01460	6.5
170.01787	2.5
171.01933	1.5
177.01961	0.4
179.03549	0.9
180.04289	2.4
181.05096	2.5
183.03006	0.8
189.12903	0.8
191.03491	0.5
192.04234	0.4
195.06654	2.3
203.03491	0.7
207.13921	2.3
209.11870	4.6
209.15387	0.4
210.05363	0.6
218.05869	1.0
222.51262	0.3
225.07713	1.5
225.14983	5.3
226.15402	0.5
227.12898	21.8
227.16225	2.5
228.13206	1.1
233.08224	1.1
236.06854	0.7
251.09229	2.7
251.13031	0.5
256.04190	0.3
269.13959	1.0
287.14969	1.0
314.17352	0.3
389.21634	0.5
395.58057	0.3
395.63641	0.3
396.49606	0.4
431.22766	0.9
433.14948	1.5
497.34845	0.5
512.16382	0.6
513.16974	1.6
571.41064	0.3
573.29443	0.4
611.20941	0.6
641.35852	3.6
642.35797	0.7
659.23566	9.5
659.36572	100.0
660.23816	2.1
660.36938	25.6
660.48444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
59.01377	3.1
61.98832	3.4
67.01881	1.0
67.57967	0.2
69.03471	0.4
71.01385	2.0
71.51205	0.3
71.51528	0.3
72.99317	0.5
73.02951	0.7
75.18855	0.2
75.45293	0.2
79.01892	0.9
83.01395	1.0
83.05038	0.2
85.02962	0.9
87.00879	0.3
89.02457	0.9
90.05911	0.2
95.01398	1.9
97.02956	0.5
101.02477	1.4
103.74915	0.2
107.01413	3.2
109.02954	0.4
110.00092	0.3
111.00916	1.8
113.02461	0.9
120.92585	0.2
123.00903	11.6
124.01724	0.6
125.02463	14.2
126.02817	0.6
126.91280	0.2
127.00398	1.1
136.98833	1.2
137.02425	0.4
139.00381	3.3
140.01192	3.0
141.01970	1.7
151.00389	7.8
151.03993	0.2
153.01944	0.8
154.99785	0.3
161.04617	0.3
163.03955	0.3
165.02031	0.4
167.03496	0.5
168.00671	3.8
169.01450	16.0
170.01765	0.8
181.05103	0.4
192.78848	0.2
209.04671	0.3
209.11853	0.7
211.02486	6.2
212.02779	0.4
217.71367	0.2
227.13008	0.3
253.03503	0.4
271.04599	4.4
289.07162	0.5
301.07181	0.7
313.05670	0.6
317.36505	0.2
566.33026	0.7
569.35339	0.3
586.28339	0.3
659.36554	100.0
660.36938	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	659.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.6
57.03442	1.9
58.00594	2.0
59.01380	39.8
60.01709	0.8
61.98830	11.2
65.45951	0.8
69.03461	1.0
71.01382	52.9
72.99315	1.7
73.02951	14.7
74.29786	0.6
75.00861	0.8
78.95921	1.4
83.01394	6.4
84.51037	0.7
85.02958	22.7
87.00882	3.0
89.02448	23.2
89.02991	1.3
95.01381	3.5
97.02961	1.6
99.00884	8.5
101.02454	41.0
102.02782	1.2
104.13645	0.6
113.02462	22.0
114.02845	0.8
115.50993	0.7
116.92879	5.7
119.03532	5.0
125.02457	3.5
129.01965	1.9
131.03528	7.0
136.35046	0.7
137.53226	0.7
143.03505	5.1
145.02853	0.8
149.04572	7.9
151.00423	0.8
152.34270	0.7
159.03008	3.7
161.04568	19.6
169.12328	1.2
171.10274	1.2
179.05695	1.2
183.04565	0.8
183.13896	1.5
185.11766	0.8
191.05615	5.1
197.11856	2.4
205.03464	0.8
209.11850	6.0
210.12248	1.7
211.13428	7.4
212.13771	3.7
227.12927	1.4
228.13286	1.0
251.07507	0.9
255.03055	3.9
283.02481	1.6
284.03082	1.1
293.08694	2.5
305.24988	1.2
311.09924	1.9
467.30121	100.0
468.30438	17.0
562.28595	0.7
599.34369	92.3
600.34692	21.1
617.51459	0.8
637.16333	0.8
659.35199	5.2
660.35742	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	659.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03450	2.2
58.00594	0.7
59.01385	6.4
61.98831	14.7
69.03455	0.5
69.39952	0.3
70.50214	1.4
71.01387	6.7
71.05055	0.4
72.99330	0.4
73.02943	1.6
74.78625	0.3
77.66541	0.3
79.95768	0.3
80.02702	1.2
81.03458	1.1
83.01399	1.2
83.02093	0.3
83.05037	6.0
84.02177	0.9
85.02959	2.1
87.00888	1.8
89.02462	4.1
92.63804	0.3
95.01411	0.5
95.05042	2.2
97.02962	0.5
97.06605	5.9
99.00897	0.8
101.02457	6.0
113.02462	3.4
119.03532	1.0
123.00896	0.5
125.02496	0.8
125.06107	0.5
125.09744	1.0
131.03555	0.9
132.24922	0.3
133.10251	0.8
135.08176	0.8
143.03520	0.5
145.05124	0.7
149.09729	0.9
151.11304	18.6
152.11687	0.9
161.04599	2.4
163.11296	4.3
164.11710	0.5
165.12901	2.7
169.01483	0.9
169.12360	59.1
170.12721	3.1
173.09755	0.5
179.05638	0.6
183.13927	0.6
185.11830	0.4
191.10844	1.4
195.10272	2.9
197.11852	0.6
200.03821	0.3
209.11841	73.6
210.12166	4.6
211.13383	1.2
212.13788	0.4
213.11337	9.4
213.13400	0.6
214.11685	0.5
225.11362	0.7
225.14888	0.4
227.12895	8.2
228.13351	0.6
232.29843	0.3
233.00778	0.4
235.08173	1.5
253.09258	4.5
287.15118	0.4
431.19156	2.3
445.20804	0.5
449.20328	4.1
450.20486	0.7
467.29944	0.8
497.15985	0.4
497.28732	0.5
497.37527	0.4
599.34271	1.4
617.11401	0.3
641.31787	2.5
642.31769	0.7
659.32953	100.0
660.33313	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	659.33
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03452	1.7
58.00588	0.7
59.01380	14.7
61.98833	60.9
63.50287	0.4
67.33058	0.4
68.97766	0.5
69.03453	0.8
71.01387	11.5
71.05058	0.8
72.01708	0.5
72.99326	1.1
73.02953	2.8
78.35630	0.5
80.02685	0.9
81.03478	1.3
83.01365	2.3
83.05028	5.3
83.83911	0.4
84.02189	1.2
84.82797	0.4
85.02952	5.1
85.03339	0.5
87.00908	1.9
89.02444	6.4
93.03461	0.6
95.01392	0.9
95.05047	1.9
96.96040	1.2
97.02963	1.1
97.06602	4.1
99.00913	2.0
99.04584	0.5
101.02460	9.9
107.01368	0.6
109.06629	1.0
111.00895	0.7
112.17147	0.4
113.02476	5.0
116.92903	0.9
119.03527	2.3
123.00922	1.5
125.02456	2.8
125.06082	0.7
125.09713	0.6
127.04074	1.3
131.03526	1.4
135.08185	1.1
137.02477	0.6
140.01213	1.1
143.03510	0.8
151.00435	1.4
151.11305	16.2
152.11649	1.2
159.11888	0.5
161.04590	1.9
163.11371	3.3
163.12602	0.7
164.11711	0.6
165.12892	3.5
167.10829	0.6
168.00635	0.6
169.01469	3.0
169.12358	91.3
170.12692	5.5
171.10297	2.8
179.05675	1.1
181.12387	1.9
183.13918	3.1
184.14236	0.6
185.11859	1.2
191.10791	0.8
195.10271	2.3
197.11824	4.1
199.13423	2.2
207.10277	1.3
209.11841	58.5
210.12151	7.5
211.13490	5.3
212.13734	2.0
213.11334	15.1
214.11649	0.8
217.53130	0.5
225.11353	2.3
225.14928	0.6
227.12912	10.1
228.13177	1.3
235.08199	3.3
243.12238	0.9
249.29703	0.5
253.09259	6.5
269.13672	0.8
276.17392	0.5
287.14859	0.6
300.02740	0.5
305.21152	1.1
337.22742	0.5
389.18234	0.8
431.19202	3.2
445.20474	0.6
449.20270	10.0
467.29825	0.9
474.78076	0.5
583.24939	0.8
599.33972	3.0
615.37128	0.9
627.23126	0.6
641.31891	4.3
642.31726	0.7
659.32935	100.0
660.33228	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	659.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01722	1.4
61.98833	1.0
62.02679	0.5
70.51445	1.6
74.99081	0.5
87.00883	0.5
96.96006	0.8
101.02458	0.6
111.00871	0.5
120.54602	0.6
120.99679	0.6
122.73326	0.5
125.02493	0.9
137.02464	1.1
151.00430	0.7
151.04028	0.7
154.91905	0.5
163.04019	0.9
164.01125	1.0
165.01949	13.1
166.02350	0.8
166.95187	0.6
169.01527	0.9
179.03500	7.7
180.04297	10.8
180.05774	0.9
181.05040	2.6
193.08806	1.0
194.05856	2.9
195.06641	17.7
196.07361	2.6
210.05353	2.7
211.09750	3.4
225.07684	24.8
226.08125	1.9
268.35648	0.5
282.40060	0.6
300.99750	1.0
312.99924	0.6
353.55554	0.6
359.11292	3.4
374.13773	6.3
375.14151	0.7
389.16049	30.8
390.16464	5.0
391.84125	0.6
419.17087	1.0
437.18134	30.1
438.18439	4.4
667.68799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81667	0.1
56.33883	0.1
57.15264	0.1
58.44919	0.1
59.01388	0.1
61.98832	100.0
62.98528	0.2
78.95910	2.3
90.57992	0.1
96.96973	0.2
109.06602	0.1
115.99659	0.1
125.09740	0.2
135.59209	0.1
152.99597	1.4
159.17752	0.1
166.90239	0.1
169.12355	0.2
183.13892	0.1
199.64000	0.1
209.11874	0.5
210.12225	0.2
211.13461	0.4
215.93019	0.1
229.36559	0.1
293.21283	0.3
294.21704	0.2
295.22879	0.3
311.22412	0.1
363.12485	0.2
410.22861	0.1
431.22034	0.2
447.21854	0.2
471.35080	0.1
658.35144	0.5
659.35321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01722	1.4
61.98833	1.0
62.02679	0.5
70.51445	1.6
74.99081	0.5
87.00883	0.5
96.96006	0.8
101.02458	0.6
111.00871	0.5
120.54602	0.6
120.99679	0.6
122.73326	0.5
125.02493	0.9
137.02464	1.1
151.00430	0.7
151.04028	0.7
154.91905	0.5
163.04019	0.9
164.01125	1.0
165.01949	13.1
166.02350	0.8
166.95187	0.6
169.01527	0.9
179.03500	7.7
180.04297	10.8
180.05774	0.9
181.05040	2.6
193.08806	1.0
194.05856	2.9
195.06641	17.7
196.07361	2.6
210.05353	2.7
211.09750	3.4
225.07684	24.8
226.08125	1.9
268.35648	0.5
282.40060	0.6
300.99750	1.0
312.99924	0.6
353.55554	0.6
359.11292	3.4
374.13773	6.3
375.14151	0.7
389.16049	30.8
390.16464	5.0
391.84125	0.6
419.17087	1.0
437.18134	30.1
438.18439	4.4
667.68799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10509	0.1
59.01374	0.3
61.98830	100.0
62.98535	0.2
69.91936	0.1
70.87779	0.3
78.57668	0.1
78.95913	2.7
83.05038	0.1
88.98004	0.1
96.96963	0.3
97.06633	0.1
109.06623	0.3
125.09768	0.4
152.99591	1.4
169.12329	0.1
207.10345	0.2
208.10666	0.1
209.11902	0.7
210.12187	0.4
211.04199	0.1
211.13310	0.6
212.13808	0.2
227.12949	0.1
277.21631	0.1
277.35349	0.1
295.22833	0.5
296.23245	0.3
316.01883	0.1
337.61639	0.1
361.10776	0.3
362.11108	0.2
363.11844	0.2
403.35989	0.1
409.63272	0.1
431.22446	0.3
432.22443	0.2
560.06616	0.1
658.33569	0.7
658.44055	0.4
659.34326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97622	0.1
57.03433	0.2
59.01380	1.2
61.98830	100.0
62.98542	0.2
67.44127	0.1
69.39782	1.0
71.01389	1.2
73.02963	0.3
73.41472	0.1
83.05022	0.3
85.02973	0.4
86.32331	0.1
87.00861	0.1
89.02446	0.6
94.96212	0.1
95.01421	0.2
95.05062	0.1
97.98706	0.1
99.00900	0.2
101.02448	0.7
111.00913	0.2
113.02457	0.3
118.70389	0.1
123.00922	0.3
125.02484	0.6
127.04061	0.2
131.03519	0.2
150.06989	0.1
151.00391	0.2
151.11328	0.2
161.04597	0.3
163.11372	0.2
165.12926	0.1
169.01439	0.5
169.12350	0.7
171.10307	0.2
183.13998	0.4
192.97356	0.1
195.10254	0.2
197.11900	0.5
199.13490	0.1
209.11830	3.0
209.13702	0.2
210.12187	1.8
211.13425	3.0
212.13747	1.5
213.11388	0.2
213.14963	0.5
227.12927	0.8
228.13292	0.3
253.09427	0.3
331.55807	0.1
447.22568	0.1
466.28516	0.1
467.30035	0.1
598.38306	0.2
599.34393	1.4
615.38129	0.1
658.35565	1.9
659.22418	0.2
659.34167	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	657.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25119	0.5
55.01868	0.7
57.03449	2.0
59.01379	21.5
61.98831	13.5
69.03464	1.0
70.56429	1.2
70.56850	1.4
71.01385	7.1
72.99335	1.1
75.00879	0.7
78.29911	0.5
81.03464	1.0
83.01414	1.5
83.05061	0.9
85.02953	3.6
87.00906	2.3
88.52959	0.4
88.98849	2.0
89.02459	2.9
91.14554	0.6
93.03475	4.0
94.03793	0.5
95.01417	0.8
95.05045	0.7
96.96043	2.1
97.02978	1.0
97.06618	1.3
99.00908	1.0
99.04559	1.1
101.02425	3.4
107.01437	1.5
107.05058	1.5
108.02198	7.8
109.02982	4.0
109.06619	1.4
111.00938	1.3
111.08166	1.2
113.02481	2.0
116.92899	2.2
119.03577	0.8
119.05075	1.2
120.99759	0.6
121.03002	1.8
121.06629	1.1
122.03768	17.8
123.00916	2.8
123.04553	1.7
123.08204	1.2
124.01740	1.7
125.02467	8.3
133.01421	0.7
133.02986	0.7
134.03682	0.6
135.04561	5.6
136.01738	0.6
136.05331	8.4
137.02466	6.4
137.06108	1.2
137.09813	0.8
138.02864	0.5
139.00369	0.8
145.02992	0.8
146.03818	1.1
147.04546	0.7
148.05347	1.1
149.06116	2.6
149.99574	1.0
150.03343	0.8
150.06883	4.1
151.00444	1.9
151.04063	1.6
151.07668	29.8
152.01181	14.1
152.08047	0.9
153.01997	2.7
155.10828	0.8
160.05225	0.5
161.02501	1.8
161.06133	0.7
161.09755	0.5
163.04114	0.9
163.07697	0.6
164.04860	1.3
164.08493	0.7
165.01932	6.4
165.05573	1.1
165.09213	4.7
165.12933	0.8
166.02637	0.7
168.00711	2.9
169.01439	8.6
169.02725	0.6
170.01797	0.6
171.10269	0.6
173.08173	1.3
175.07703	0.8
177.01971	2.4
178.02794	0.7
179.03513	4.6
179.10869	0.8
180.04318	5.5
181.05026	1.4
184.11098	0.7
189.12831	0.8
192.04391	1.5
193.08748	0.9
194.05914	0.9
195.03096	0.7
195.06644	10.4
196.06912	1.2
205.08968	0.5
207.10349	0.7
207.13945	4.3
209.04457	0.7
209.11919	2.7
223.06204	0.5
225.07645	2.9
225.11522	0.7
225.15048	1.0
227.12906	2.9
233.11937	0.6
251.12973	1.2
269.08136	2.4
269.14069	1.3
282.07123	0.7
283.10059	1.7
287.14932	2.6
293.17703	2.0
297.06158	9.4
298.06757	1.2
298.12173	0.6
299.09335	1.5
300.99936	0.9
307.19180	1.3
311.09360	2.1
313.05814	0.9
314.11652	3.3
315.07483	0.6
321.20917	0.6
326.11768	1.8
329.13934	6.1
329.19485	2.4
336.19736	1.5
338.86511	0.5
341.13977	2.8
343.21231	4.8
344.22119	0.6
413.26959	0.8
431.28259	1.1
449.29077	9.3
450.29691	1.5
477.10825	1.1
477.28430	3.3
478.11099	3.2
478.29333	0.8
494.29129	1.4
495.29401	28.7
496.29919	5.6
567.24255	0.9
597.35590	1.4
609.26105	0.7
639.26965	2.3
657.20355	5.1
657.27368	6.7
657.35541	100.0
658.19916	1.0
658.35895	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	657.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
57.03440	0.2
59.01381	2.8
61.98818	0.4
69.03462	0.5
70.75345	0.5
71.01386	2.9
72.99311	0.2
73.02953	0.7
80.02699	0.8
81.03454	0.6
83.01392	0.5
83.05035	3.4
84.02164	0.5
85.02941	0.7
87.00880	0.8
89.02446	2.0
93.03481	0.2
95.01377	0.2
95.05061	0.3
97.02941	0.2
97.06602	0.3
101.02454	2.7
108.61644	0.1
109.06611	0.2
111.08187	0.2
113.02472	1.2
119.03490	0.4
125.02501	0.2
125.06079	0.3
133.05034	0.1
135.08148	0.4
143.03499	0.3
145.05093	0.5
155.10776	0.1
161.04604	1.0
163.11317	2.7
164.11623	0.2
165.12880	1.8
167.10866	0.2
167.14433	0.6
171.10327	0.8
179.05641	0.4
181.12337	0.3
183.13910	6.9
184.14262	0.5
191.10806	0.7
193.12338	1.5
194.12627	0.3
199.13379	0.2
209.11839	71.3
210.12196	4.5
211.13397	100.0
212.13741	6.4
225.11328	0.2
227.12889	10.3
228.13229	0.7
235.08221	3.3
249.15010	1.0
253.09283	7.6
254.09570	0.3
322.28400	0.2
353.62833	0.1
385.24081	0.2
403.24866	0.3
421.26071	0.3
427.19370	0.2
429.21445	0.3
435.95642	0.2
445.20700	0.9
447.22296	5.0
448.22751	0.4
463.21936	0.3
597.32819	0.3
621.33301	0.8
639.34033	0.6
657.34888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
57.03448	2.4
58.00587	0.4
59.01380	59.7
60.01725	1.1
60.99317	0.5
61.98833	26.8
68.64893	0.3
69.03461	0.7
69.42497	0.7
69.42900	2.8
71.01389	16.0
71.05029	0.7
72.99319	1.5
75.00853	0.4
78.95915	0.7
81.03493	0.5
83.01383	2.7
83.05027	0.4
85.02960	6.8
87.00891	1.3
87.04562	0.5
88.98814	3.2
89.02454	6.2
93.03469	0.6
95.01390	1.9
96.96042	1.1
97.02991	0.5
99.00885	2.3
99.04542	1.4
101.02459	12.0
107.01418	1.4
107.05098	0.4
108.02212	0.6
109.02974	1.3
109.06578	1.0
111.00916	2.3
113.02471	6.4
116.92899	0.7
119.03532	2.0
119.05007	0.6
120.99670	0.7
121.02983	0.5
121.06615	0.5
122.48199	0.4
123.00903	2.8
123.04552	0.6
123.08194	0.6
124.01739	0.4
125.02477	4.6
131.03552	3.1
135.04567	1.5
136.05324	1.1
137.02458	1.0
137.09773	1.0
139.00397	0.9
140.01212	0.7
143.03505	0.7
145.02965	0.9
149.04622	0.5
151.00410	2.9
151.04100	0.4
151.07552	0.4
151.11369	0.6
152.01131	0.5
153.01958	1.2
153.12839	0.4
159.03023	0.8
161.02467	0.6
161.04572	4.0
163.04059	0.4
163.11298	1.6
164.11676	0.6
165.01979	0.4
165.09250	1.2
165.12863	0.8
167.10771	0.7
168.00682	1.3
169.01437	6.2
170.01819	0.3
171.10297	0.4
179.03545	0.9
179.10779	0.8
179.14499	0.4
180.11153	0.5
181.12404	0.7
189.12897	0.7
191.10953	0.4
195.06734	0.3
195.13921	0.9
197.11873	0.4
197.15518	1.3
205.12418	0.8
206.12668	0.5
207.14012	2.1
209.11821	7.1
210.12151	1.0
211.02414	0.5
211.13440	2.5
225.11356	0.7
225.14943	8.7
226.15375	0.8
227.10635	0.7
227.12903	14.7
228.13255	1.8
229.04951	0.8
230.05374	0.5
253.22667	0.5
256.03537	0.5
257.04462	0.6
258.04742	0.4
269.14032	1.0
285.04028	8.4
285.07025	0.7
286.04382	7.1
287.04681	0.8
287.15103	1.0
300.99911	0.4
307.08029	0.5
313.05862	0.4
329.23343	0.4
343.11981	0.5
357.26630	0.7
369.19260	2.0
382.08249	0.4
383.11603	0.6
387.20270	3.3
429.21487	0.6
465.28607	7.8
466.28961	1.6
489.15607	1.3
493.15234	0.6
495.33539	1.1
525.33252	0.4
594.13434	2.3
597.32855	10.6
597.41925	0.7
598.33142	2.3
639.33942	3.2
641.61060	0.4
656.11804	0.4
657.34961	100.0
658.35333	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	657.35
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67897	0.4
55.01876	0.7
55.58471	0.6
57.03443	0.5
59.01379	5.9
59.53217	0.4
71.01390	4.9
71.47330	0.4
73.65278	0.5
83.01427	1.0
83.05025	1.2
85.02979	1.3
87.00871	0.7
89.02451	3.1
97.06606	0.9
98.19770	0.7
101.02444	4.3
105.12842	0.6
105.90556	0.5
106.82611	0.6
111.08195	1.3
113.02482	2.3
119.03512	0.9
161.04567	1.3
163.11266	0.9
163.38823	0.4
165.12849	9.6
166.13226	0.5
167.14398	0.9
179.05655	0.9
183.13913	74.9
184.14247	4.3
193.12389	2.6
204.14642	0.5
209.11841	12.2
210.12144	3.6
211.13417	100.0
212.13776	6.6
227.12906	5.1
228.13367	0.5
235.08257	2.1
253.09251	5.4
369.32431	0.5
445.20572	1.8
447.22513	2.9
448.22540	0.6
463.21695	2.4
482.61533	0.6
523.02142	0.5
639.32855	1.1
657.35004	82.6
658.35358	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	657.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03455	0.4
59.01380	9.8
60.03234	0.1
61.98829	2.6
63.13336	0.2
65.00309	0.3
67.01880	0.8
68.99812	0.4
69.03465	0.7
71.01389	3.2
71.07584	0.5
72.99313	0.6
79.01880	1.0
81.03471	0.3
82.00603	0.2
83.01399	0.8
85.02954	1.2
87.00891	0.4
88.98852	0.2
89.02454	0.9
95.01397	1.9
97.02982	0.7
98.20000	0.2
99.00903	0.3
101.02454	1.9
107.01408	4.5
109.02956	0.4
110.00122	0.4
111.00893	2.4
113.02461	1.3
114.27007	0.2
119.03487	0.3
121.02979	0.2
123.00903	13.6
124.01755	1.2
125.02466	17.7
126.02808	0.4
127.00424	0.8
136.01698	0.4
136.98846	1.3
137.02489	0.4
139.00388	3.9
140.01183	3.5
141.01981	1.7
142.02293	0.2
145.02939	0.2
145.79565	0.2
151.00391	8.5
151.04045	0.5
152.00774	0.3
153.01981	0.9
153.09222	0.3
154.99898	0.3
161.04620	0.4
163.03987	0.5
163.60860	0.2
165.09152	0.2
165.67609	0.1
167.03404	0.2
168.00653	4.2
169.01443	20.4
170.01811	0.9
179.03590	0.2
181.05162	0.3
183.03012	0.4
195.03030	0.2
207.13884	0.3
209.11841	1.6
211.02484	6.8
211.13441	1.3
212.02827	0.3
213.18629	0.2
225.14995	0.7
227.12897	2.0
254.13156	0.2
269.13953	0.2
271.04602	4.9
272.04974	0.4
313.05670	1.3
314.05948	0.3
470.20010	0.2
597.32275	0.3
627.33972	2.6
628.34131	0.6
639.34521	0.4
657.22668	4.3
657.34973	100.0
658.35284	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	657.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14669	0.3
57.03458	1.1
59.01379	65.0
60.01732	0.7
60.99297	0.4
61.98826	5.5
69.03468	0.7
69.65510	2.9
70.75436	0.3
71.01385	5.1
72.99314	0.5
73.02961	4.6
80.16217	0.3
83.01394	3.4
83.05042	0.4
85.02975	1.3
85.80952	0.3
87.00880	1.0
88.98822	0.8
89.02454	2.3
93.03478	0.4
95.01405	0.4
95.05050	0.6
96.96029	3.3
97.02959	0.4
97.06599	0.6
98.20609	0.4
99.04524	2.0
101.02441	3.2
108.02170	0.5
109.02954	0.4
109.06598	0.9
113.02448	1.7
115.00386	0.5
116.92864	1.7
118.71894	0.3
119.03545	0.5
120.04443	0.3
121.02988	0.4
121.06637	0.4
122.03775	1.2
124.01698	0.4
125.02475	1.9
131.03529	1.3
133.01454	1.5
134.47787	0.4
135.04597	0.4
136.05362	1.7
137.02472	1.1
139.04120	0.4
149.02481	1.1
149.04572	1.0
149.06136	0.7
151.04042	0.4
151.07617	2.0
152.01196	0.6
153.01950	0.4
153.09181	0.6
161.04631	0.7
163.07710	0.5
165.01964	0.6
165.05592	0.5
165.09218	0.9
165.12883	1.3
166.02638	0.3
167.10791	0.7
168.00687	0.4
169.01456	1.5
177.01939	10.9
177.03505	0.6
178.02478	0.9
179.03627	0.5
180.04315	0.5
187.09776	0.8
189.12914	0.5
191.10756	0.5
192.04301	11.4
193.04843	1.3
195.06697	1.1
201.11378	0.4
207.06641	8.7
207.13896	8.0
208.14243	0.8
209.11819	8.2
212.83728	0.4
217.10840	1.3
225.07695	0.8
225.14978	10.8
226.15442	1.0
227.12889	44.4
228.13197	3.3
233.11760	0.8
251.12863	2.9
252.13173	0.4
269.13922	10.6
270.14282	1.0
281.71033	0.4
283.15521	0.5
287.14996	100.0
288.15350	10.2
293.13950	0.9
311.15152	1.5
329.16077	7.3
330.16293	0.8
341.15884	0.5
359.17178	6.2
360.17395	0.7
371.17126	0.6
372.48285	0.4
387.13629	0.4
389.18170	27.5
390.18463	3.2
419.19031	0.4
431.19458	0.6
449.20261	45.2
450.20667	5.9
495.29773	1.5
507.29541	0.6
639.25922	0.6
657.26758	4.7
657.35065	9.9
658.26068	0.9
658.35083	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	656.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21678	0.1
58.74205	0.1
59.01380	0.3
61.94061	0.1
61.98831	100.0
62.46116	0.1
62.98532	0.2
63.99257	0.5
71.01407	0.1
78.95902	1.3
84.47606	0.1
96.96957	0.2
98.20615	0.2
125.09750	0.2
152.99605	0.9
177.50732	0.1
207.10367	0.2
209.11829	0.5
211.13429	0.7
225.11346	0.1
255.23387	0.1
276.61105	0.1
277.21817	0.3
433.92615	0.1
571.29102	0.2
573.30157	0.1
612.44202	0.1
657.34601	0.4
657.44415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10537	0.2
56.55272	0.2
57.03434	0.3
59.01381	0.7
71.01385	2.1
71.72639	0.3
73.02963	0.5
81.03456	0.6
83.01427	0.3
85.02952	2.2
87.00880	0.7
89.02464	0.5
94.61374	0.2
95.01398	1.1
101.02450	0.4
105.77222	0.3
106.69481	0.3
108.02189	43.2
109.02995	12.8
110.03325	0.5
111.00920	1.9
111.81420	0.2
113.02479	0.8
121.02970	0.8
123.00905	1.4
123.04592	0.6
125.02464	1.0
133.02882	0.3
151.04001	1.4
152.01176	42.4
153.01964	16.7
154.02255	0.7
163.04042	1.4
165.01935	1.4
167.03613	0.4
169.01430	0.7
177.01929	0.4
179.03528	0.4
181.05081	0.5
191.02040	1.6
195.03011	0.3
225.04111	0.4
275.01996	0.4
300.99924	0.7
315.07217	100.0
316.07556	8.3
331.06564	0.3
465.12540	0.3
466.02823	0.3
578.37427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96009	0.2
59.01377	0.4
63.86983	0.2
71.01376	1.6
71.38298	0.5
73.02950	0.6
76.18022	0.2
81.03497	0.5
83.01401	0.5
83.73112	0.3
85.02975	1.4
87.00875	0.3
89.02473	0.3
93.03468	0.3
95.01393	0.9
95.75150	0.2
99.00876	0.4
101.02472	0.7
107.05006	0.3
108.02190	45.1
109.02995	15.4
109.03582	0.2
109.03767	0.3
110.03305	0.5
111.00850	0.3
113.02471	0.8
121.02970	0.9
123.00886	0.7
123.04507	0.6
125.02455	0.4
133.02965	0.2
135.00967	0.3
135.46678	0.2
136.98199	0.2
139.00018	0.2
151.04042	1.3
152.01176	45.4
153.01968	19.0
153.03038	0.2
153.03275	0.4
154.02296	0.6
163.04004	1.0
165.01924	1.4
169.01517	0.4
191.01935	0.4
195.03091	0.2
204.97121	0.2
207.12479	0.2
225.04086	0.4
315.07214	100.0
316.07553	8.5
316.11325	0.4
327.12518	0.2
331.29776	0.3
392.29144	0.2
477.12161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88414	0.2
59.01379	0.8
59.57884	0.2
59.69449	0.2
61.98832	100.0
71.00987	0.2
71.01389	0.6
71.71245	0.5
78.95913	3.0
83.05024	0.3
96.96977	0.3
109.06611	0.4
110.52897	0.2
111.08216	0.3
121.02958	0.3
122.39367	0.2
125.02451	0.7
125.09683	0.3
152.99614	1.6
163.11304	0.3
171.10275	0.3
183.13872	0.5
197.11874	0.5
199.13460	0.3
207.10246	0.3
208.10661	0.3
209.11890	2.7
210.12215	0.3
211.13408	4.5
211.58589	0.2
212.13780	0.6
225.11354	0.6
227.12944	0.6
253.09296	0.6
291.19705	0.3
347.12527	0.3
348.54202	0.3
402.23459	0.3
445.19904	0.3
447.22284	0.3
638.32843	0.7
656.33685	1.3
657.33533	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53846	0.1
59.01377	0.3
61.98832	100.0
62.98537	0.2
63.68518	0.1
63.75471	0.1
73.69549	0.1
78.39857	0.1
78.95911	0.7
98.19806	0.1
125.02498	0.2
129.99503	0.1
145.02985	0.1
152.99654	0.5
154.44844	0.1
167.53586	0.1
209.11795	0.5
211.13387	0.8
224.23779	0.1
309.20306	0.1
445.19934	0.3
656.35938	0.2
657.34167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63769	0.1
59.01379	0.7
61.98830	100.0
62.98532	0.2
70.46356	0.1
70.82495	0.3
71.01385	0.1
78.95911	3.1
78.96359	0.2
79.75690	0.1
83.45821	0.1
86.81857	0.1
89.12245	0.1
96.96986	0.4
109.06607	0.2
113.09764	0.2
152.99606	1.9
159.69682	0.1
163.11317	0.2
179.27896	0.1
181.12405	0.1
195.13983	0.1
197.11884	0.2
207.10320	0.2
209.11832	2.1
210.12186	0.3
211.13469	0.9
213.06079	0.1
222.96683	0.1
225.11382	0.1
227.12955	0.2
227.93889	0.1
293.21201	0.8
309.20804	0.1
354.12387	0.1
361.10437	0.1
363.12125	0.7
379.50336	0.1
381.13513	0.2
429.20432	0.5
445.20239	0.1
447.21558	0.1
654.32483	0.1
656.33893	0.4
657.33942	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	656.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81060	0.1
59.01373	0.6
61.98831	100.0
62.98543	0.2
71.01416	0.1
78.95911	5.8
80.02654	0.1
80.14169	0.1
81.03474	0.1
83.05041	0.5
96.96960	0.5
97.06606	0.1
101.02460	0.1
109.06616	0.1
113.02469	0.1
121.02989	0.3
152.99605	3.3
163.11359	0.3
165.12881	0.1
166.89418	0.1
172.53391	0.1
181.12390	0.1
183.13956	0.3
184.14250	0.1
195.14011	0.3
207.10309	0.3
208.10663	0.2
209.11839	4.4
210.12222	0.3
211.13429	1.7
212.13803	0.5
225.11438	0.1
227.12888	0.5
253.09224	0.2
275.20078	0.1
293.21207	0.8
348.40820	0.1
363.12122	1.6
381.13486	0.4
391.09134	0.1
429.20419	0.7
447.21680	0.3
507.18570	0.1
515.23547	0.1
548.92529	0.1
638.33038	0.3
656.33728	1.1
657.34119	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	656.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63587	0.3
57.03432	0.4
59.01379	7.9
61.98830	67.0
63.02389	0.3
65.00334	0.6
65.95578	0.3
69.43027	1.4
69.43456	2.1
72.00056	0.3
73.02954	1.0
77.55266	0.3
80.13234	0.3
83.01392	0.7
85.02965	0.9
88.98807	0.7
89.02467	0.8
90.87676	0.3
93.03474	1.2
94.42368	0.3
96.96056	0.3
97.02958	0.3
98.20692	0.4
101.02451	1.1
106.53047	0.4
107.01416	3.1
108.02142	0.3
109.06628	0.3
113.02461	0.8
114.17738	0.3
117.03488	1.5
117.16885	0.3
119.05051	2.4
121.02972	0.4
123.00887	0.8
124.40336	0.3
125.02458	6.8
132.02168	0.7
133.01437	0.3
135.00912	1.0
136.01698	0.5
137.02466	0.4
137.17049	0.3
143.05011	0.4
145.01848	0.6
145.02980	10.9
146.03291	0.8
151.00398	4.1
153.01947	0.5
157.06657	0.5
159.04501	0.7
161.02463	0.4
161.06145	0.4
163.00403	1.5
163.03972	1.8
164.01152	0.8
165.01968	1.9
166.02431	0.5
168.00641	0.5
169.01447	9.9
169.06633	0.5
171.04552	0.4
174.03250	0.4
177.01982	0.4
179.03535	1.0
180.04303	1.4
181.04756	0.3
183.03040	0.7
185.06133	1.3
187.04015	1.9
189.05534	0.7
194.05922	0.4
195.04825	0.5
195.06645	2.6
196.06996	0.5
197.06084	0.7
199.03966	0.6
199.25430	0.4
200.04732	0.4
207.13895	1.0
209.11829	0.6
211.04013	1.8
212.04829	0.4
213.05597	1.3
214.02676	0.4
215.03656	0.3
225.07758	1.2
225.14978	0.8
227.03500	23.4
227.12817	2.7
228.03938	1.9
228.13200	0.7
229.05038	6.8
230.05254	0.4
239.03456	1.0
240.04189	1.0
241.05011	0.6
255.02975	42.1
256.03568	7.3
257.04523	4.8
267.02954	0.8
269.13898	0.6
283.02332	0.4
284.03250	57.3
285.04010	69.2
286.04382	6.3
287.14987	1.0
288.15295	0.4
307.08154	1.3
311.09238	0.7
447.09531	1.6
449.19977	0.6
450.20612	0.5
495.33246	0.8
511.16306	1.7
593.13013	100.0
594.13354	22.0
594.23010	0.8
655.33386	0.7
656.24347	0.5
656.34979	2.6
657.22058	6.5
657.34607	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	655.371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33712	0.4
57.03452	1.6
59.01376	12.1
60.99324	0.4
61.98831	15.0
66.21027	0.4
69.03459	0.4
71.01385	7.8
72.99331	0.4
73.02956	2.8
78.95905	2.9
83.01419	1.2
83.05054	0.9
85.02954	3.6
87.00898	1.1
88.98834	1.2
89.02455	2.3
89.90640	0.4
95.01424	1.1
96.74356	0.4
97.02971	1.0
98.20634	1.0
99.00867	1.0
99.04551	0.7
101.02456	5.6
107.01427	1.4
107.05052	0.5
108.02204	0.8
109.02952	2.0
109.06652	0.8
111.00907	1.7
111.04517	0.5
111.08193	0.4
113.02473	2.3
116.92901	0.8
119.05018	0.5
121.06631	1.1
122.03730	0.9
123.00896	4.9
123.04570	0.8
123.08205	0.4
125.02460	6.4
125.09784	1.3
126.02843	0.6
135.04579	1.8
135.08246	0.5
136.05316	31.6
136.98853	0.6
137.05786	1.2
137.09729	0.5
139.00424	1.7
139.07715	0.5
140.01224	1.3
141.02036	0.7
147.08206	0.6
148.05357	0.8
149.06100	6.2
150.06888	10.3
151.00354	3.1
151.07584	0.6
152.01109	0.5
152.72481	0.4
152.99615	1.9
153.01962	1.6
153.05608	0.5
153.09282	0.8
153.65654	0.4
157.08719	0.7
161.04643	1.2
162.06874	2.3
163.03981	0.5
163.07663	2.1
163.11275	0.6
164.08432	4.8
165.05569	0.6
165.09221	19.4
166.09644	1.1
168.00691	1.5
169.01433	7.5
169.02765	0.5
169.12456	0.7
171.10352	1.6
177.09213	0.4
178.10081	0.6
179.10754	3.0
185.11932	1.0
207.10429	1.8
209.11847	12.0
209.13712	0.7
210.12265	0.9
211.02509	2.1
211.13416	2.5
225.11383	0.6
227.12892	3.5
228.13448	0.5
247.13612	0.5
251.12985	0.5
253.03551	0.4
253.09323	0.9
259.40073	0.4
267.42603	0.4
269.13785	0.6
271.04736	1.7
281.21420	0.9
313.20300	1.8
315.25604	0.6
327.21771	11.2
328.22159	0.9
355.24667	0.5
383.22647	0.4
401.23517	0.8
414.28094	0.5
419.24490	0.6
429.30130	2.0
430.31119	0.4
432.28870	3.1
433.29382	0.6
446.30466	0.7
447.31143	11.4
448.31641	1.9
463.32700	9.9
464.33389	1.5
474.30386	0.5
475.30673	3.8
476.31122	0.7
492.30777	3.3
493.31635	29.2
494.31940	5.9
591.26086	1.0
595.37170	5.9
596.37646	1.0
623.29163	1.6
625.32861	1.2
626.33099	0.5
637.32654	3.2
638.32874	0.6
655.36835	100.0
656.37231	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
59.01377	68.2
60.01717	0.5
61.98832	14.6
69.68279	0.8
69.68709	1.7
71.01384	9.0
72.85390	0.3
72.99309	0.4
73.02948	5.7
83.01401	1.6
83.05011	0.5
85.02965	3.1
87.00900	0.8
88.98792	0.4
89.02441	2.8
95.01422	0.9
96.06323	0.3
97.02971	0.8
97.06615	0.4
99.00906	0.4
99.04545	0.9
101.02460	5.0
107.01404	0.4
107.05070	0.3
109.03048	0.3
109.06623	0.9
113.02469	3.8
116.92838	1.8
119.03510	0.8
121.06651	0.5
123.08154	0.5
125.02541	0.5
125.06044	0.5
136.05330	0.7
137.02414	0.6
138.06870	2.6
145.02966	1.3
149.02405	0.3
149.04465	0.3
151.00319	0.7
151.07689	2.2
152.08464	3.2
153.09216	10.5
154.09573	0.7
158.38068	0.3
161.04567	0.9
161.09694	0.7
163.04013	0.6
163.11255	0.9
165.01917	0.9
165.09235	0.6
165.12868	1.0
169.01498	0.4
179.03490	0.8
179.10793	0.5
180.04387	0.5
187.04094	0.5
187.11339	0.7
189.12903	0.7
190.10104	0.5
194.05849	0.4
195.06641	1.5
205.12350	8.1
206.12729	0.6
207.13863	1.8
209.11861	4.2
223.13390	1.3
225.07683	0.8
225.14948	4.3
226.15363	0.4
227.03584	1.6
227.12888	22.0
228.13145	1.1
229.05032	0.9
251.12854	0.7
255.03008	3.7
256.03586	0.4
257.04608	0.8
269.13953	2.8
284.03265	4.9
285.04031	13.0
287.14966	3.5
307.08344	0.6
367.17746	2.2
385.18475	0.4
389.18326	0.7
427.19681	0.8
449.20233	1.4
450.20538	0.5
500.77704	0.4
584.09399	0.4
593.13049	11.3
637.23889	0.5
637.32587	5.1
638.32349	0.8
655.33435	100.0
656.33746	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03449	1.8
57.94859	0.7
59.01378	22.8
61.98833	94.4
69.03465	2.1
71.01387	10.3
72.99350	1.4
73.02946	2.3
73.68653	0.7
78.95922	2.5
81.03451	1.3
82.63668	0.7
83.01398	1.9
83.05058	3.1
85.02970	2.4
85.06582	0.7
87.00890	3.1
89.02450	4.6
95.05033	1.1
97.02961	4.4
97.06614	1.8
99.00906	1.4
101.02460	9.3
109.06615	9.0
110.03731	0.9
111.04562	0.9
111.08177	1.7
113.01788	0.7
113.02468	4.3
119.03551	2.2
121.02995	1.4
125.02491	0.8
125.06095	0.7
125.09708	2.1
135.08141	1.5
143.03476	0.8
145.05154	1.3
161.04585	2.8
163.11314	7.6
165.12851	7.1
167.10748	1.1
171.10289	2.4
179.05733	1.2
179.10817	0.8
181.12401	2.2
183.13911	59.2
184.14261	2.9
185.11841	3.1
193.12338	1.5
199.13449	1.4
207.08295	1.8
207.10269	33.0
208.10599	2.3
209.11842	100.0
210.12157	6.4
211.13403	83.3
212.13766	5.7
221.15561	1.7
223.13324	2.0
225.11327	17.3
227.12906	6.1
229.40115	0.8
233.11929	1.3
235.08257	6.2
247.13400	1.1
249.15041	1.9
251.13013	1.4
253.09296	9.5
293.08755	0.8
304.54565	0.8
318.52838	0.9
327.21689	1.3
339.23352	2.3
341.10220	0.9
355.22678	0.9
373.23743	2.2
383.22330	4.8
391.24979	2.3
393.26517	0.8
396.86652	0.9
401.23361	11.2
402.23837	1.5
419.24341	5.3
443.19617	1.5
445.20547	2.2
447.22281	2.4
461.20114	5.2
463.21716	1.7
489.18936	1.0
609.32574	2.6
619.31506	1.8
637.32385	24.1
638.32648	5.8
655.33380	99.1
656.33795	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	655.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74888	0.5
54.08414	0.5
57.03440	1.5
58.00590	0.6
59.01379	96.0
61.98842	1.1
69.03448	0.7
70.75702	0.5
71.01387	11.0
71.01757	1.0
73.02950	7.8
83.01405	2.9
83.05049	1.5
84.86086	0.5
85.02955	3.1
86.71725	0.5
87.00902	0.7
89.02464	2.8
95.01411	0.9
99.04549	2.3
101.02465	6.1
109.06590	1.0
113.02451	5.3
115.79411	0.5
119.03557	0.5
121.06592	0.6
126.48952	0.5
131.03543	0.6
138.06921	2.9
139.07626	0.5
143.03520	0.6
151.07675	2.0
152.08447	4.0
153.09248	12.3
154.09612	0.6
156.71204	0.5
161.04576	0.9
163.11278	0.8
165.12856	0.9
189.12955	0.9
190.10088	0.6
205.12381	7.2
206.12685	0.7
207.13928	5.2
209.11855	6.8
223.13300	1.1
225.14958	11.1
226.15233	0.9
227.12892	36.5
228.13271	1.9
229.44029	0.5
251.12877	1.5
269.13901	7.3
287.14981	21.5
288.15265	1.7
311.14944	0.8
329.15997	1.5
359.16977	0.9
367.17642	1.7
389.18146	4.2
427.20004	0.7
449.20313	12.7
450.20630	0.9
637.32404	4.4
638.32361	0.7
655.33411	100.0
656.23389	0.9
656.33801	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	655.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02547	0.5
55.01863	0.5
57.03440	1.4
59.01379	93.2
60.01722	0.5
61.98836	1.3
71.00996	1.2
71.01374	12.5
72.99336	0.8
73.02951	11.5
73.03338	0.8
83.01382	2.8
83.92864	0.5
85.02957	3.3
86.55209	0.5
88.92431	0.6
89.02457	5.1
95.01422	1.0
99.04527	1.3
101.02457	8.9
113.02465	5.9
116.92889	0.6
119.03550	1.7
131.03511	1.0
153.09222	2.7
161.04559	1.4
161.09831	0.7
163.11285	0.6
165.12871	1.3
167.10709	0.5
187.11192	0.7
189.12868	0.9
195.06612	1.0
205.12297	3.3
207.13889	5.6
209.11836	7.7
225.14954	11.9
225.17053	0.9
227.12891	44.6
228.13217	3.8
251.12920	2.0
255.02751	0.6
269.13940	10.9
269.16733	0.9
270.14322	1.1
287.15002	49.1
288.15335	4.3
293.13989	0.7
311.15030	0.8
329.15915	2.8
359.17026	3.0
367.17389	0.8
389.18210	12.8
390.18472	1.7
431.19562	1.3
449.20285	28.9
450.20560	4.3
637.32025	2.9
638.33392	0.6
655.33435	100.0
656.33685	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	655.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.01379	66.5
59.91208	0.3
60.01725	0.8
61.98831	2.4
69.03446	0.5
69.70478	2.9
71.01383	7.7
71.01752	0.6
72.99310	0.6
73.02950	6.1
83.01404	2.2
83.05028	0.8
85.02963	2.4
87.00913	0.6
89.02460	2.5
95.01423	1.1
95.05064	0.8
97.02952	0.8
97.06621	0.6
99.04540	1.3
101.02449	5.0
109.06619	1.0
113.02465	3.1
114.43594	0.4
116.92898	0.7
119.03519	0.7
121.06574	0.6
123.00859	0.6
123.04559	0.8
123.08182	0.4
125.02453	0.9
135.08159	0.6
136.05305	1.0
138.06886	1.5
139.07620	0.5
147.08186	0.9
149.09744	0.5
151.07668	1.7
152.08461	2.3
153.09235	7.8
154.09505	0.6
161.04601	0.8
161.09695	0.8
163.11288	1.2
165.12875	1.5
169.01434	0.9
179.10791	4.7
187.11328	1.4
189.09236	0.6
189.12898	0.7
190.10083	0.6
203.10843	0.6
205.12344	10.2
206.12701	0.9
207.13916	1.5
209.11845	10.2
210.12148	0.9
223.13484	1.3
225.14977	5.5
227.12895	23.7
228.13223	1.8
235.35719	0.4
251.12889	0.5
269.13956	3.4
287.14984	9.0
325.95480	0.4
367.17371	1.0
386.29184	0.4
389.18195	1.1
427.19534	0.9
449.20297	3.2
542.95367	0.5
544.19958	0.4
563.07324	0.4
637.32562	4.3
638.32446	0.9
655.33423	100.0
656.33765	25.5
656.45160	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.3
61.01481	0.1
61.98830	100.0
62.98532	0.2
69.43619	0.9
70.71797	0.1
71.01389	0.3
78.95911	0.8
89.02521	0.1
98.19831	0.2
104.31261	0.1
115.68079	0.1
125.09763	0.2
152.99629	0.3
172.01324	0.1
190.57335	0.1
207.10408	0.2
209.11871	0.5
210.12236	0.4
211.13435	0.3
225.11394	0.2
287.14853	0.1
293.21320	0.3
294.21680	0.2
309.20764	0.1
394.54547	0.1
618.62073	0.1
631.74036	0.1
655.32611	0.2
655.43286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
61.98832	100.0
62.98532	0.4
63.99263	0.3
69.42942	1.8
71.01390	0.2
78.95908	1.0
125.09670	0.3
139.64548	0.2
152.99644	0.6
183.13976	0.5
207.10257	0.3
209.11885	0.3
211.13397	0.4
223.13640	0.2
255.23479	0.2
342.90924	0.2
442.62418	0.1
461.11877	0.4
464.92114	0.2
493.28012	0.2
591.36017	0.5
616.22040	0.5
626.45117	0.2
637.31506	0.2
654.18347	0.2
654.34863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
57.03432	1.1
59.01092	0.7
59.01378	12.9
60.01707	0.6
61.98829	12.0
63.73455	0.4
68.99816	0.9
69.03443	0.6
71.01387	12.8
71.86001	0.4
72.99295	1.4
73.02961	3.1
73.95787	0.4
74.99101	0.5
75.00872	0.4
83.01379	2.8
83.33900	0.4
85.02958	4.3
87.00878	1.9
88.98797	1.5
89.02444	3.5
93.03468	29.3
94.03793	1.2
95.01382	1.4
96.95997	0.6
96.99319	0.6
97.02951	0.8
97.06578	0.5
99.00875	0.9
99.04487	0.5
101.02460	9.2
105.01943	0.6
105.03492	0.6
107.05055	0.7
108.02201	2.8
109.02969	3.8
113.02471	5.4
115.00390	0.9
116.92847	2.0
119.03518	0.9
119.05004	1.7
120.05758	0.5
121.02952	5.5
122.03734	1.8
123.00877	1.4
123.04514	1.6
124.01647	1.0
125.02479	2.2
133.01433	1.7
134.03708	0.7
135.04521	1.9
136.01682	2.8
136.05316	1.1
137.02464	57.8
138.02750	2.8
139.03984	0.5
143.04953	0.6
145.02911	0.5
145.05063	0.5
146.03754	0.9
147.04541	9.8
148.05333	10.3
148.06447	0.3
149.02412	2.1
149.05821	0.9
150.03236	3.7
151.00406	0.6
151.03954	2.0
151.25397	0.4
153.01874	0.7
158.03691	0.8
159.04535	5.9
160.05312	14.1
161.04561	1.0
161.06087	11.2
161.09682	1.1
161.13301	0.5
162.06879	2.8
163.04030	3.5
164.04807	4.7
165.01907	2.7
165.05333	1.6
168.00620	0.5
169.01401	1.7
173.06001	2.1
175.04022	0.5
175.07664	13.8
176.04762	0.5
176.07954	0.8
177.02007	2.1
177.05589	3.9
178.02689	0.5
178.06393	4.1
179.03578	2.4
179.05646	1.1
179.07112	1.1
180.04277	3.0
181.04782	0.4
187.11259	1.2
189.09236	1.1
191.03442	1.2
192.04312	0.9
193.05009	1.2
193.08606	1.4
195.06613	5.1
205.12273	0.9
207.10313	1.2
209.11765	1.1
210.05321	0.5
221.04512	0.8
223.13399	0.6
225.07614	1.6
227.12897	2.8
230.18268	0.6
247.08078	0.6
249.11113	0.5
267.12311	1.0
268.07242	0.7
269.08124	1.0
269.14047	0.8
270.08972	0.6
281.06650	25.5
282.06940	1.9
283.09821	1.6
284.10489	5.0
285.11108	1.7
287.14929	2.5
296.10284	0.7
297.11346	0.9
299.12851	8.1
300.13144	1.2
311.12698	1.1
313.12848	0.8
315.12274	1.8
329.13919	12.8
330.14133	1.1
359.27963	0.9
373.12875	2.5
374.12845	0.5
375.27307	1.7
389.17862	0.6
449.20053	1.7
474.17719	0.6
520.61615	0.5
535.18011	1.8
611.22131	0.8
637.25110	1.1
655.20233	100.0
655.32794	6.6
656.20563	27.0
656.33038	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	654.351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28380	0.1
59.01380	2.0
60.01712	0.2
61.98832	100.0
62.98547	0.2
65.26073	0.1
71.01389	1.1
72.01727	0.1
72.99294	0.1
73.02964	0.2
78.95921	0.3
83.01430	0.2
83.05022	0.1
83.96052	0.1
85.02972	0.3
87.00882	0.3
89.02448	1.0
90.02836	0.1
91.03996	0.1
97.02974	0.2
101.02438	0.8
102.02802	0.1
113.02441	0.4
114.02767	0.1
119.03542	0.3
121.02953	0.1
125.02477	0.3
141.93446	0.1
143.03534	0.1
152.99611	0.1
156.40567	0.1
161.04527	0.2
179.05731	0.2
180.06221	0.1
191.56526	0.1
197.11867	0.1
207.10347	0.3
209.11873	0.7
210.12152	0.2
211.13412	0.4
221.06749	0.1
222.52452	0.1
225.11353	0.1
227.12846	0.1
229.35777	0.1
235.08208	0.4
236.08714	0.2
253.09346	0.1
255.23276	1.9
256.23618	1.6
257.23892	0.1
288.08057	0.1
298.02536	0.1
305.08771	0.1
310.21130	0.1
311.22467	0.1
335.71085	0.1
376.17410	0.1
397.13538	1.6
398.13882	1.6
399.14264	0.2
415.14661	0.7
416.14929	0.6
637.32556	0.1
654.25427	0.2
655.33356	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	654.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51780	0.1
59.01374	0.4
61.98830	100.0
62.98537	0.2
71.01402	0.1
71.54540	0.2
71.54882	0.1
78.95916	0.5
90.93290	0.1
109.06582	0.1
152.99622	0.3
207.10315	0.4
209.11949	0.3
211.13437	0.3
225.11436	0.2
293.21350	0.1
352.02029	0.1
401.23502	0.1
472.35580	0.1
512.62213	0.1
542.94769	0.1
654.26556	0.4
655.25293	0.3
655.33588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93133	0.4
52.86827	0.3
56.81245	0.3
57.08858	0.4
59.01380	100.0
60.01718	1.2
61.98505	0.8
61.98833	16.8
69.59695	2.7
71.01402	0.4
71.11025	0.3
78.95896	0.4
81.03466	0.7
83.05022	2.3
91.04037	0.5
111.08166	3.3
113.06024	0.4
122.50948	0.4
125.09710	0.5
145.03012	0.6
163.11288	1.4
165.12871	1.8
169.12320	0.9
171.10248	0.6
191.10716	0.4
197.11847	11.6
198.12201	0.6
207.10184	0.4
209.11839	87.5
210.12164	4.5
211.13409	2.6
213.85704	0.3
223.13376	0.4
225.11360	0.4
227.12892	10.2
291.16562	0.5
291.19690	7.5
292.19968	0.4
309.20718	24.8
310.20981	2.3
501.32501	0.8
593.36755	1.1
653.31500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14405	0.4
59.01382	90.1
60.01714	1.2
61.98832	12.0
70.38361	1.6
70.38775	0.8
71.01375	0.7
75.98524	0.5
76.56322	0.4
78.95915	0.6
81.03466	0.5
83.01483	0.5
83.05032	3.6
89.02473	1.2
91.04002	0.6
95.04996	0.5
98.20559	0.6
109.06567	0.7
111.08172	3.3
125.09809	0.9
135.04527	0.6
135.08182	0.5
153.45514	0.5
163.11334	1.8
165.12909	1.3
166.01978	0.5
169.12340	1.0
171.10336	0.7
181.12399	0.5
191.10815	0.5
197.11841	12.8
207.10222	0.9
209.11844	100.0
210.12186	6.9
211.13374	4.2
223.13361	0.5
225.11302	1.0
227.12894	12.1
228.13274	0.9
263.20135	0.9
279.78326	0.6
291.19592	6.1
292.19748	0.6
309.20715	26.4
310.21002	2.1
501.32199	1.3
553.46094	0.6
593.36523	0.8
635.38696	1.2
653.29724	0.7
653.40302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52850	0.2
55.01885	1.4
55.56398	0.2
57.03461	1.0
58.00597	2.0
59.01382	34.7
60.01723	0.5
61.98833	35.3
67.01904	0.2
68.99812	0.3
69.03456	2.4
71.01387	36.1
72.01738	0.4
72.66451	0.2
72.99313	3.3
73.02953	5.5
75.00883	0.9
78.63141	0.2
81.03448	1.6
83.00941	0.3
83.01400	3.7
83.05042	0.2
84.02187	0.2
85.02959	7.7
85.38953	0.2
86.00100	0.4
87.00887	8.5
87.04544	0.3
89.02456	31.5
90.02784	0.4
91.04035	0.7
93.03495	0.5
95.01403	2.4
97.02962	6.4
98.03293	0.2
99.00905	2.0
99.04517	0.5
101.02458	31.6
102.02785	0.8
103.00377	0.3
103.04053	0.3
109.02982	0.6
111.00965	0.4
111.04528	1.1
113.02464	14.0
114.02820	0.3
115.04034	0.7
119.03515	9.2
121.02963	0.5
123.00908	0.2
123.04554	0.4
124.01670	0.4
125.02467	12.1
126.02851	0.3
127.04044	0.4
131.03470	1.6
133.05089	1.6
137.02560	0.3
139.04024	1.0
141.01965	0.8
143.03514	6.1
144.03975	0.2
148.93066	0.2
149.04538	1.0
151.56622	0.2
161.04579	7.1
162.04819	0.2
167.03519	0.8
169.05069	0.7
171.02980	0.5
179.05621	6.1
181.05020	0.2
185.04591	1.0
199.06082	0.6
203.05629	0.6
209.11909	0.3
217.07187	1.3
219.04980	0.3
221.06682	2.2
235.08231	15.0
236.08487	0.4
237.22137	0.3
245.06606	0.7
247.10648	0.2
253.09315	3.2
255.23286	99.2
256.23621	8.2
263.07687	1.6
269.24860	0.7
277.09247	1.2
287.07730	4.5
287.10638	0.2
305.08817	4.9
306.09073	0.3
323.09787	2.3
361.11078	0.4
369.22482	0.2
379.12259	1.2
397.13516	100.0
398.13882	8.4
415.14578	33.3
416.14908	2.8
515.68280	0.2
607.46222	0.2
653.26508	0.3
653.37854	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50911	0.7
58.75819	0.6
59.01377	1.6
61.98832	46.7
65.19054	0.6
71.74237	1.1
78.95921	1.3
91.11480	0.6
100.10336	0.6
117.03477	14.5
119.05013	4.2
121.02980	0.9
145.02977	61.5
146.03297	2.0
163.03996	1.1
196.64336	0.6
211.13445	0.9
356.88348	0.6
373.87103	0.6
417.54312	0.6
453.33734	0.9
496.03760	0.7
497.32956	0.8
617.38605	100.0
618.38983	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	653.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81811	0.4
59.01377	2.3
61.98829	19.2
69.37278	2.8
69.37692	0.9
86.41129	0.4
94.31348	0.3
117.03477	12.1
118.03810	0.8
119.05031	4.4
121.02953	1.0
145.02963	52.2
146.03291	2.6
161.63388	0.4
163.04082	1.2
209.11861	0.8
274.48590	0.4
423.42181	0.4
453.33694	1.7
486.85913	0.4
496.44559	0.4
497.32428	0.7
526.13110	0.4
596.16949	0.5
617.38568	100.0
618.38916	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	653.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01683	0.1
55.01881	1.3
56.39732	0.1
57.03454	1.3
58.00591	1.9
59.01380	40.3
60.01716	0.3
61.98831	8.7
67.01898	0.3
68.31947	0.2
68.99799	0.3
69.03458	2.2
71.01384	39.5
71.71958	0.2
72.01711	0.5
72.99318	3.2
73.02951	6.1
75.00877	0.9
75.06328	0.2
76.44390	0.1
78.95913	0.2
81.03456	1.6
83.01392	4.6
83.05025	0.2
85.02958	8.0
86.00101	0.6
86.03294	0.2
87.00883	9.9
87.04518	0.2
88.01228	0.3
89.02452	31.5
90.02789	0.6
91.04006	0.8
93.03477	0.3
95.01396	2.6
95.05057	0.2
97.02960	6.6
98.03277	0.2
99.00887	2.2
99.04496	0.3
101.02454	31.1
102.02777	0.8
103.00407	0.2
109.02975	0.6
111.00891	1.0
111.04539	1.1
112.01701	0.3
113.02462	14.7
114.02811	0.3
115.04021	0.6
119.03513	9.6
120.03825	0.2
121.02959	0.5
123.00949	0.2
123.04552	0.4
124.01667	0.4
125.02460	13.0
126.02798	0.3
127.04030	0.5
129.01942	0.4
131.03529	1.6
133.05104	0.9
137.02409	0.4
139.04024	1.1
141.01950	0.7
142.68338	0.1
143.03519	6.5
144.03828	0.2
149.02490	0.2
149.04579	0.9
151.03983	0.3
157.05023	0.4
157.69673	0.2
161.04581	7.1
163.04079	0.2
167.03506	0.9
169.05080	0.5
171.02951	0.4
179.05624	6.2
185.04565	0.6
191.03496	0.2
199.06120	0.6
203.05643	0.4
209.11833	1.6
210.12085	0.2
217.07159	1.1
219.05098	0.7
221.06679	2.3
227.12817	0.2
235.08223	14.4
236.08585	0.7
237.22160	0.3
245.06609	0.9
253.09282	3.0
254.19795	0.2
255.23286	100.0
256.23630	10.0
259.08282	0.3
263.07693	1.4
264.07956	0.2
269.24866	0.5
277.09293	0.9
287.07727	3.9
288.08099	0.3
291.19614	0.2
297.24307	0.2
305.08795	4.1
306.09064	0.3
309.20609	0.2
323.09799	2.0
361.11417	0.6
379.12390	1.2
397.13510	95.2
398.13864	9.7
415.14563	33.8
416.14923	3.3
634.51715	0.2
653.26666	0.2
653.38251	1.0
654.38782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.1
57.03455	3.9
58.00602	3.7
59.01380	64.6
60.01705	0.8
61.98832	8.0
62.13369	0.7
68.99821	0.8
69.03464	2.5
69.44699	6.8
71.01386	91.8
72.01719	1.7
72.99306	3.3
73.02952	54.0
75.00883	1.3
81.03465	1.5
83.01398	5.7
83.05038	0.7
85.02959	43.6
86.00095	0.8
86.03328	0.9
87.00892	11.0
87.04532	0.8
88.98853	0.8
89.02455	53.2
90.02775	1.0
91.05533	1.7
95.01403	6.9
95.05052	0.8
97.02978	4.7
99.00887	7.3
99.04533	3.1
101.02455	100.0
102.02790	3.0
103.04051	0.9
105.03472	2.1
108.02207	1.5
109.02992	2.2
111.00877	1.3
113.02464	33.4
114.02803	1.2
115.04043	0.9
116.92860	1.9
119.03519	20.5
119.04984	1.6
121.02925	1.2
122.03735	2.7
123.04545	1.2
125.02448	4.5
127.04049	6.6
129.72784	0.7
131.03514	12.4
134.03754	31.8
135.04570	11.2
143.03525	12.2
145.05086	77.4
146.03757	44.9
146.05475	2.1
147.04568	13.5
149.04593	2.5
149.06094	20.3
149.06998	0.4
150.06432	1.4
159.03020	6.6
161.04558	56.9
161.06061	15.2
162.03217	2.5
162.04903	1.9
162.06340	1.4
163.04033	1.4
164.04817	22.5
165.05313	1.3
167.05797	1.3
167.07162	19.3
168.07449	1.3
169.01331	0.7
170.01753	0.7
174.03152	0.7
174.66170	0.8
177.05519	1.8
179.05606	79.9
179.07147	25.4
180.05978	3.9
180.07416	1.4
184.52452	0.7
195.06721	3.8
205.03528	1.2
209.08247	0.9
219.99187	0.8
221.06654	24.4
222.06844	0.9
235.13469	0.7
247.08215	41.3
248.08531	2.4
265.09320	4.2
295.12036	1.5
312.12048	1.7
313.12930	38.2
314.13342	3.7
325.11389	2.0
330.28424	0.7
373.25797	0.9
414.93506	0.8
473.17578	7.6
474.17487	16.8
475.18198	11.0
476.18274	1.0
479.54935	0.8
489.19849	1.1
490.48022	1.0
491.18747	1.2
563.65540	0.8
598.01593	0.7
623.23486	23.8
624.24023	4.6
630.80536	0.9
635.23560	27.6
636.23926	5.7
653.24463	35.3
653.33698	1.5
654.25037	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	653.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.2
57.03446	0.6
58.00584	0.8
59.01380	16.8
60.01712	0.2
61.98827	2.4
68.99574	0.4
69.03468	0.3
71.01385	8.5
72.01694	0.2
72.99311	1.0
73.02956	2.0
77.45006	0.2
81.03454	0.3
83.01389	0.5
83.05053	0.4
85.02956	2.9
87.00879	2.3
87.04530	0.4
88.98810	0.6
89.02454	6.7
91.05552	0.4
95.01399	0.6
97.03037	0.2
99.04536	0.2
101.02460	4.1
103.04008	1.3
105.03488	0.4
107.01383	0.3
108.02174	1.5
109.02965	0.9
112.98608	0.6
113.02457	2.3
114.34046	0.2
115.00336	0.2
116.92891	1.4
117.01970	0.2
117.03440	0.2
119.03510	2.1
119.05019	1.1
121.02975	0.7
122.03754	1.1
123.00916	0.5
123.04539	0.9
124.01701	0.3
125.02460	1.0
126.06268	0.2
131.03540	0.5
134.03743	0.4
135.04535	4.0
137.02449	0.5
139.11327	0.7
142.05582	0.2
143.03502	0.6
145.02962	1.6
145.05084	0.4
146.03758	47.0
147.04550	4.6
148.05287	0.6
149.04913	0.3
149.06119	2.4
150.36862	0.2
151.00386	0.5
151.03995	0.2
154.02742	0.2
161.02492	1.1
161.06097	32.7
162.03220	0.7
162.06436	1.3
163.03993	0.6
163.06133	1.5
164.04800	0.2
165.05595	0.3
166.02742	1.2
166.06387	0.2
167.07149	14.9
168.07480	0.7
169.01419	1.0
172.65477	0.2
177.01971	0.2
177.05588	0.3
179.05624	1.9
181.05052	1.9
183.10243	0.8
191.07024	0.3
191.69742	0.2
195.06644	1.5
209.08162	0.5
209.11908	0.3
221.08000	0.2
225.11362	0.2
227.13004	0.3
269.14090	0.3
269.17807	0.2
271.04724	0.3
271.09644	0.3
283.09659	0.2
284.10370	0.3
285.11340	0.4
299.12909	0.5
300.02765	0.3
301.03467	0.4
312.12509	1.6
313.12946	28.8
314.13333	2.5
327.14429	1.4
329.32935	0.2
341.10309	0.4
387.10666	0.3
389.48251	0.2
417.15616	1.7
429.15652	0.4
430.16086	0.4
431.18787	0.2
443.13461	2.2
444.13574	0.3
445.18677	1.1
458.15866	2.9
459.16083	0.4
463.08762	0.3
473.18146	100.0
474.18506	13.7
534.23560	0.2
603.22028	0.2
635.23309	0.2
653.31738	3.4
654.32520	0.2
677.50330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43047	0.4
58.00574	0.4
59.01379	15.7
61.98829	8.4
71.01384	14.3
71.74491	0.8
72.99310	0.8
85.02948	1.0
87.00892	0.7
87.92512	0.6
89.02451	18.3
95.01393	0.5
98.11958	0.4
101.02457	8.0
104.92826	8.1
105.99366	0.4
113.02469	4.3
119.03517	4.1
131.03499	1.3
143.03508	1.9
149.04610	1.5
151.11290	0.5
152.99576	0.4
161.04573	3.2
171.23279	0.4
179.04056	0.8
179.05626	13.1
180.05969	0.6
207.10312	1.1
209.11827	1.4
225.11244	0.8
227.12601	0.4
251.96657	0.4
286.49176	0.4
289.73334	0.4
291.19669	0.7
309.20703	1.5
343.00793	0.3
393.31607	0.8
423.32745	0.6
471.34787	100.0
472.35074	18.1
581.59686	0.4
623.28186	0.9
627.93018	0.5
651.26056	5.4
651.39978	1.5
652.26636	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	652.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79647	0.1
59.01372	0.9
61.98830	100.0
62.98563	0.2
71.01415	0.2
71.72617	0.2
78.95912	0.7
79.90833	0.1
125.87385	0.2
127.87066	0.3
142.87691	0.2
144.87325	0.7
152.99612	0.5
154.24667	0.1
157.86307	0.2
159.86040	0.4
162.83992	0.5
183.28084	0.2
186.85484	0.1
209.11926	0.3
255.23378	0.4
261.37521	0.2
330.95129	0.2
339.12622	0.2
363.68851	0.2
417.12338	0.5
459.11462	0.9
460.12344	0.2
461.11322	2.5
462.11942	0.4
463.11475	0.3
551.99823	0.2
571.29089	0.3
614.22528	0.8
615.23499	0.2
616.22522	1.2
617.22632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4121
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
58.00586	0.2
58.15559	0.2
58.51299	0.2
59.01384	5.0
61.98833	4.3
71.01392	5.6
72.99323	0.4
83.01398	0.4
87.00886	0.3
89.02454	7.6
95.01401	0.3
97.02921	0.2
101.02461	5.3
104.92162	0.3
104.92825	4.2
113.02461	1.6
119.03516	1.7
131.03523	0.7
137.02596	0.2
142.01770	0.2
143.03537	0.6
149.04552	0.8
151.31221	0.2
161.04575	1.4
173.79420	0.2
179.05630	5.3
180.06036	0.3
314.56317	0.2
424.75436	0.2
471.34787	100.0
472.35132	17.2
486.15915	0.3
623.27966	0.6
639.24066	0.2
651.25842	2.5
651.39728	0.3
652.26587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54716	0.3
57.03440	0.4
59.01380	100.0
60.01730	1.3
61.98833	5.6
67.02029	0.3
68.08224	0.3
69.07917	0.3
70.35335	0.4
71.01385	0.6
71.15611	0.7
71.15954	0.5
81.03455	0.4
83.01407	0.4
83.05037	1.0
97.06625	0.7
109.06582	0.4
111.03232	0.3
115.54530	0.3
117.03489	0.6
119.05016	0.3
121.03001	0.4
123.04565	0.6
125.09749	1.4
137.09708	0.5
145.03003	1.0
146.78577	0.3
163.11339	1.9
165.12912	0.8
171.10333	0.9
181.12433	0.6
185.11829	2.6
191.10796	0.6
191.14465	0.7
197.11826	0.4
207.10301	1.4
209.11842	34.5
210.12172	2.1
211.13374	0.5
225.11357	2.6
227.12923	3.5
231.13826	0.3
245.19150	1.8
289.18088	8.8
290.18533	0.9
291.19586	0.4
307.19141	9.0
308.19559	0.7
309.20840	1.3
327.19568	0.5
383.22504	0.5
401.23514	1.9
419.24487	0.5
471.34576	2.1
472.35242	0.4
475.27145	3.0
476.27582	0.6
481.29788	0.4
493.27975	0.6
517.32104	0.4
555.34009	0.6
573.34314	0.5
591.36023	0.9
651.25024	1.2
651.38483	1.7
652.39026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.3
58.00585	0.5
59.01381	13.9
60.99306	0.4
61.98829	9.5
62.82602	0.3
63.02393	1.1
65.00335	1.6
65.30296	0.3
67.01884	0.4
69.03440	0.7
69.15346	0.3
69.55260	2.2
69.55686	1.0
70.16554	0.3
71.01385	6.8
72.01743	0.3
72.99348	0.5
73.02937	2.6
83.01400	2.5
83.05023	0.7
85.02951	2.3
87.00871	1.8
88.98805	1.8
89.02465	3.8
91.01939	0.4
93.03432	0.7
95.01384	0.6
95.05105	0.4
96.96007	0.6
97.03001	0.4
99.00900	0.6
99.04539	0.4
99.92618	0.4
101.02454	4.6
107.01398	3.7
107.05040	1.0
108.02200	2.1
109.02969	4.3
113.02462	3.0
116.92896	4.9
117.01952	0.5
117.03468	1.0
119.03534	1.0
119.05036	1.5
120.05782	0.5
121.02973	2.7
123.00919	0.6
123.04546	0.5
123.08160	0.4
124.01656	0.4
125.02466	1.4
131.03526	0.9
133.03040	0.4
135.00905	1.2
135.04535	0.9
136.97766	0.3
137.02486	0.5
137.06117	0.4
143.03525	0.5
143.04935	0.3
145.02995	2.4
145.03917	0.4
148.01707	1.3
151.00400	13.6
151.07680	1.9
152.01044	1.3
153.01958	2.8
155.05031	0.5
157.06628	0.7
159.04527	0.8
161.02487	0.6
161.04597	1.3
161.09767	3.2
161.13359	0.6
163.00417	2.9
163.01691	0.5
163.04034	1.4
163.07669	1.8
163.11279	0.7
164.01131	0.9
165.09239	0.6
169.01471	2.2
171.04478	0.4
171.10330	0.4
174.03255	0.4
175.03964	0.7
177.09209	0.9
178.99889	6.6
179.01437	0.4
179.05547	0.7
179.10809	1.4
180.11258	0.4
183.04504	0.6
185.06155	0.4
187.04047	1.7
187.11337	2.7
188.08485	0.4
189.05640	0.5
189.09248	1.8
190.02820	0.4
190.99902	0.8
199.04024	1.4
201.01907	0.4
201.05574	0.5
203.03659	0.4
203.10780	4.6
203.24489	0.3
205.12331	2.1
207.10298	1.6
209.11862	0.9
211.04013	1.5
213.05504	0.6
215.03564	0.9
216.04282	0.9
221.11845	7.4
222.12120	0.6
223.13348	2.0
224.75479	0.4
226.02747	1.4
227.03471	4.7
228.04073	1.0
229.05057	2.8
239.03484	0.6
243.02983	11.7
244.03429	1.1
245.04527	1.5
249.11342	0.9
254.02191	2.3
255.02979	27.8
256.03323	3.1
257.04587	1.5
267.12512	0.6
271.02463	58.0
271.98294	0.4
272.02948	6.8
273.04013	1.4
283.02484	1.1
284.03333	1.6
285.00806	0.7
285.04025	15.1
286.04297	1.0
299.01987	3.2
300.02759	100.0
301.03458	44.8
302.03851	3.0
311.13525	1.3
357.26563	0.9
383.17288	0.8
401.18320	0.7
406.89349	0.4
443.19482	0.4
445.07837	2.9
446.07919	0.5
459.29312	0.6
459.58453	0.3
487.08762	1.5
489.10278	2.3
505.09848	46.0
506.10248	6.9
591.11298	1.6
592.11823	0.6
609.12970	0.4
621.71484	0.4
633.30219	0.6
651.13696	44.6
651.30426	22.5
652.14117	9.2
652.30005	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	647.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76768	0.2
52.35143	0.2
61.98825	1.1
66.33225	0.2
68.73059	0.2
69.45312	0.1
70.67962	0.2
71.70843	0.4
72.81488	0.2
77.03979	0.2
93.33358	0.1
95.05046	0.5
105.03457	2.2
110.72913	0.2
116.80376	0.2
117.03458	0.2
119.05027	0.4
123.04565	0.3
127.29624	0.2
132.02193	4.5
133.02979	15.0
134.03807	2.9
136.01692	0.4
137.02498	0.3
147.04520	0.5
149.06084	1.3
153.05588	0.2
160.01678	25.9
161.02054	1.3
175.04019	30.3
176.04369	1.6
177.01932	4.0
177.03494	0.3
178.02547	0.3
179.03520	0.2
192.04327	0.4
193.05089	1.0
453.33691	1.9
454.34119	0.5
456.56750	0.2
471.34714	0.4
497.32736	0.5
520.31653	0.3
550.58551	0.2
632.37231	4.6
633.37549	1.5
647.39630	100.0
648.39978	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.4
61.98833	6.2
70.41339	1.9
70.41764	1.2
88.07090	0.6
95.05035	1.2
105.03461	2.1
132.02190	5.0
133.02013	1.2
133.02985	18.9
134.03778	3.7
149.06107	1.6
150.23294	0.6
150.36162	0.6
160.01674	36.0
161.02066	1.5
175.04019	40.4
176.04385	2.0
177.01991	4.1
193.05063	1.7
355.47363	0.7
453.33923	2.1
632.37488	4.4
633.37750	1.3
647.39722	100.0
648.40045	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	649.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02330	0.3
59.01376	1.1
61.98827	2.3
65.10335	0.3
67.90118	0.3
70.35881	0.3
70.65483	0.4
70.65858	1.4
71.01360	0.3
90.23999	0.3
95.16055	0.3
117.03491	1.3
119.05030	0.5
119.50499	0.3
123.04542	0.4
132.02202	1.3
133.02980	26.7
134.03683	1.2
134.90921	0.3
135.04549	6.7
137.02481	1.0
145.02957	2.1
158.74617	0.3
161.02467	100.0
162.02809	4.5
163.04030	1.4
178.02763	0.6
179.03522	3.7
180.03780	0.3
193.58978	0.3
216.22118	0.4
425.30753	0.4
437.30246	0.4
455.31677	0.7
467.31741	0.5
590.38910	0.8
649.37537	93.1
650.37885	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	647.3965
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
61.98829	0.7
69.45147	0.7
69.45570	0.4
72.95544	0.1
77.04005	0.3
78.95892	0.1
95.05053	0.6
98.20644	0.3
105.03481	2.0
119.05042	0.4
121.02975	0.1
123.04538	0.2
132.02191	4.4
133.02975	14.4
134.03815	2.1
136.01611	0.2
137.02446	0.2
147.04573	0.4
149.06120	1.1
151.04028	0.2
153.05597	0.2
160.01675	22.9
161.02049	1.1
175.04021	26.5
176.04327	1.5
177.01930	3.1
178.02626	0.2
192.04315	0.3
193.05074	1.3
194.05342	0.1
234.16380	0.1
249.41360	0.1
307.95038	0.1
311.45071	0.1
446.23062	0.1
453.33746	2.2
454.34122	0.4
497.32825	0.5
520.31866	0.3
552.72272	0.1
632.37256	3.7
633.37897	1.1
647.39618	100.0
648.39960	29.2
649.39911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44232	0.5
55.01882	0.9
57.03456	3.8
57.93335	0.6
58.00595	0.7
59.01382	24.7
67.01884	1.8
68.99821	1.6
69.03457	1.7
69.85406	0.5
71.01389	42.2
71.72220	0.5
71.72591	0.9
72.99303	1.7
73.02944	4.8
81.03479	0.6
83.01402	3.8
84.02192	0.7
85.02959	27.6
87.00890	12.3
87.03365	0.5
89.02451	15.3
89.18632	0.4
93.03471	0.9
95.01401	4.5
97.02958	3.6
99.00883	1.9
100.01656	1.0
101.02457	6.6
102.14743	0.5
108.11751	0.5
109.02986	1.2
111.00896	4.2
111.02029	1.2
111.04532	0.6
113.02467	31.7
114.02809	0.9
115.03981	0.8
119.03541	1.2
123.00913	0.6
123.04541	0.6
125.02475	1.7
129.01956	1.9
131.03510	4.0
133.05127	0.9
137.02437	0.7
139.00389	1.2
141.01945	0.5
143.03477	0.6
149.04590	2.2
151.06139	24.1
152.06416	0.9
155.03546	1.2
157.01447	0.8
169.01434	1.8
171.02736	0.5
173.04518	3.7
175.06136	0.8
189.04050	1.8
202.95071	1.0
203.05643	0.8
205.07191	0.8
215.05621	1.1
215.24852	0.5
245.01512	0.6
245.06641	1.6
265.09375	2.4
283.10400	2.2
305.06372	0.8
305.09076	0.6
317.08691	0.8
331.06467	0.8
397.13290	2.7
415.14511	2.1
587.17938	2.1
605.19757	1.3
615.18042	1.6
647.20471	100.0
648.20886	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	647.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
59.01384	3.8
64.74740	0.4
67.01888	0.4
69.03446	0.5
70.27477	2.4
70.74732	0.5
71.01389	5.6
72.99322	0.7
73.02974	0.4
81.03458	0.8
83.01405	0.7
85.02956	3.5
85.12123	0.5
85.49434	0.4
87.00892	0.8
89.02470	2.8
93.03485	0.9
95.01421	1.5
98.20587	0.9
101.02475	1.5
107.01400	4.2
108.02188	38.3
109.02993	12.4
110.03291	0.6
111.00898	3.0
113.02461	3.1
115.49965	0.4
120.86752	0.5
121.02976	1.6
123.00893	2.5
123.04525	0.7
124.01727	1.7
125.02457	19.6
126.02818	0.5
129.88025	0.4
129.93181	0.5
133.03015	0.6
135.04541	0.8
136.98828	1.2
137.02477	1.5
139.00389	1.7
139.04062	0.8
140.01155	1.8
144.50079	0.5
151.00410	1.7
151.04004	1.1
151.06110	0.9
152.01180	36.2
153.01973	12.8
154.02310	1.0
161.02544	0.9
163.04036	2.2
165.01909	1.8
167.03506	1.8
167.99323	1.0
168.00653	11.4
169.01445	37.3
170.01775	1.4
173.04553	0.5
179.03574	0.5
182.04646	0.7
191.03505	2.0
211.02493	54.6
212.02815	3.0
217.01610	0.5
235.02499	1.5
241.03487	3.8
261.00375	1.1
261.08780	0.5
271.04587	100.0
272.04916	6.4
273.00342	0.5
275.02011	0.6
300.99847	1.6
305.06702	1.3
315.07227	67.7
316.07599	5.4
331.06711	81.9
332.07056	5.2
463.06073	0.5
477.12570	1.7
575.06854	3.1
647.20465	5.5
648.20990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
58.00588	2.4
59.01377	55.4
59.95910	0.6
60.01688	0.9
61.47874	0.7
61.98827	5.3
65.26099	0.6
71.01382	3.9
71.05995	1.8
72.99305	1.4
73.02937	2.4
82.75732	0.8
83.01382	2.6
83.22286	0.7
85.02953	2.2
87.00883	4.4
92.88956	0.7
93.03510	0.7
96.96022	1.3
99.04550	1.0
101.02442	2.3
113.02434	1.6
117.74712	0.7
121.02945	2.5
122.03714	1.8
123.04494	1.6
137.02400	1.0
137.06030	0.9
141.01921	1.4
145.02957	3.9
147.04507	1.2
149.02455	16.4
150.03242	57.7
151.03545	3.5
153.05565	0.9
161.02438	2.9
162.03281	3.4
163.03973	3.0
164.04790	9.8
165.01959	1.7
165.05582	65.3
166.05911	4.1
169.01498	1.2
170.51599	0.7
177.05588	2.6
179.07175	0.8
180.04242	6.3
181.05003	1.2
195.06636	26.1
196.06979	1.0
207.13928	2.2
209.11809	2.8
225.07700	1.6
225.14919	7.4
227.12886	29.3
228.13222	1.4
251.12766	0.9
269.13980	2.4
287.14935	3.3
309.09869	4.7
327.11075	1.0
369.12012	5.3
428.09552	0.7
597.25409	2.3
609.25885	1.9
627.26685	14.4
628.27002	3.0
645.27759	100.0
646.28125	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	645.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18242	0.4
54.25153	0.4
55.01893	0.8
57.03452	2.1
58.00599	1.3
59.01382	71.8
60.01717	1.4
60.99306	0.7
61.01809	0.4
61.98834	22.1
69.03455	0.7
69.84833	2.7
71.01387	12.2
72.99317	1.3
73.02953	8.9
75.00887	0.5
76.62445	0.4
82.53329	0.5
83.01403	4.5
85.02972	4.0
87.00892	3.1
88.98833	3.2
89.02449	6.8
89.02902	0.5
89.73115	0.4
93.03466	0.6
95.01417	1.3
95.91397	0.5
96.96024	5.3
96.96925	0.5
97.02935	0.4
97.06625	0.5
99.00898	1.1
99.04540	1.3
101.02456	9.1
105.01965	0.6
107.01424	0.5
108.02196	1.9
109.02980	0.8
109.06624	1.0
111.00884	0.7
113.02461	6.5
116.92870	0.5
117.03486	4.4
119.03509	3.0
119.05024	1.3
121.02971	2.3
122.03768	1.2
123.00913	1.5
123.04567	2.0
124.01665	0.9
125.02480	5.4
131.03589	0.6
133.03003	1.7
134.03748	0.5
135.04567	1.5
136.01707	0.5
137.02477	1.7
143.03552	0.9
145.02977	16.3
146.03789	5.1
147.04552	4.6
149.02461	1.8
149.04630	0.6
150.03265	2.9
151.00410	1.1
151.04024	0.7
153.02000	0.9
161.01112	0.5
161.02472	14.6
161.04520	2.0
161.06110	2.2
162.03259	22.5
163.04034	4.9
164.04703	1.0
165.01970	3.6
165.05597	2.7
165.12868	1.0
168.00662	1.0
169.01463	3.2
175.04085	0.6
176.04738	0.9
176.39578	0.5
177.02113	0.5
177.03995	0.7
177.05603	7.9
177.86725	0.4
178.02718	0.5
179.03525	0.9
179.05632	1.5
179.07175	1.0
180.04300	6.1
181.04990	1.5
189.01991	0.8
189.12857	0.8
191.07191	1.1
193.05132	1.1
195.03073	0.5
195.06635	11.6
196.07179	1.4
199.04120	0.5
204.04192	0.5
206.05925	1.2
207.13919	2.1
209.11896	3.6
211.02531	0.7
211.09779	1.8
212.10161	1.0
219.06674	2.3
221.08353	0.8
221.93842	0.4
225.05888	0.4
225.07819	2.2
225.09686	0.4
225.14999	7.1
227.12907	35.1
228.13226	2.2
251.12909	2.0
261.07608	0.4
269.13965	4.6
270.05292	1.1
270.08740	0.5
275.02075	0.6
285.04651	0.7
285.07681	3.3
286.08499	0.7
287.15021	5.4
288.15268	0.5
300.09991	3.4
301.00046	0.6
301.10577	1.1
331.11874	4.7
332.12231	0.9
339.10803	2.5
347.84140	0.5
357.11819	3.4
375.12958	0.5
399.13077	1.8
419.17297	2.1
422.19019	0.7
449.14865	0.6
449.20322	0.9
583.24115	2.2
597.23462	1.0
609.25311	2.4
627.26709	13.4
628.27258	2.9
645.27795	100.0
646.28119	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	645.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.4
60.99272	0.3
61.98551	0.4
61.98831	4.3
65.00320	0.9
67.01881	1.2
68.99814	0.8
69.03442	0.6
70.91666	0.8
71.01382	2.4
72.99313	0.6
73.02952	0.3
79.01891	0.7
81.03452	0.6
82.00605	0.3
83.01375	1.2
85.02960	0.6
87.00885	0.7
88.98833	0.5
89.02446	1.2
93.05029	0.3
95.01407	2.3
96.96029	0.9
97.02938	1.0
99.00871	0.6
101.02439	0.8
107.01402	9.8
109.02973	2.3
110.00108	0.8
111.00895	5.2
113.02469	0.6
116.92841	0.6
120.99689	0.3
121.02950	1.3
122.03740	1.0
123.00890	9.8
123.04524	0.8
124.01000	0.3
124.01702	4.2
125.02462	18.8
126.02808	1.0
127.00394	2.5
130.48596	0.3
135.04547	0.6
136.98817	3.4
137.02438	1.0
138.03217	0.8
139.00394	6.3
139.04025	6.8
140.01180	8.5
141.01881	1.0
147.04587	0.6
151.00392	3.3
151.07579	0.3
153.01965	2.4
153.05609	0.4
154.99886	0.4
159.04521	0.4
165.01906	0.6
165.05548	0.9
166.99829	1.6
167.03378	0.5
168.00655	12.7
169.01439	19.1
170.01794	1.0
173.05991	0.4
175.07622	0.7
180.04320	0.4
180.71286	0.3
181.01431	1.6
181.04970	0.3
182.02213	1.0
183.02991	14.8
184.03392	0.7
189.10144	0.3
193.08698	0.5
195.06732	0.4
197.04553	1.0
209.04570	0.4
210.35678	0.3
227.12779	0.4
229.05107	0.4
239.05638	0.5
271.02298	0.4
297.11185	0.8
300.02777	0.5
300.99960	0.6
301.03293	0.6
315.08719	0.7
315.12225	0.6
329.14017	0.9
330.10941	0.8
345.10016	1.7
347.14743	0.7
359.07132	0.4
359.11365	5.0
360.11609	0.7
361.12680	0.6
361.16525	1.0
371.09671	1.7
385.11127	0.3
466.11426	0.4
479.13242	0.6
480.13623	0.6
481.14011	2.6
482.14169	0.4
483.32562	0.5
498.15427	0.4
499.16019	1.7
527.15582	1.0
583.24158	0.5
609.12616	0.8
630.19641	0.8
645.21948	100.0
645.30249	4.2
646.22284	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
55.65524	0.2
57.03442	1.1
58.00583	1.0
59.01381	100.0
59.39871	0.2
60.01714	1.4
60.99321	0.3
61.98833	12.1
62.89292	0.2
69.03453	0.4
71.01389	13.3
71.74249	0.2
71.74702	0.3
72.99310	1.3
73.02954	6.2
81.03464	0.4
83.01405	2.1
83.05033	0.7
85.02962	3.0
87.00891	0.8
87.04545	0.2
87.15829	0.2
88.98841	0.7
89.02455	8.1
93.03502	0.4
95.01382	0.6
95.05018	0.3
96.96041	0.5
97.02969	0.3
97.06629	0.6
99.00878	0.5
99.04529	1.9
101.02458	8.1
107.01351	0.2
107.05080	0.3
108.02156	0.2
109.02916	0.2
109.06629	0.4
111.00930	0.4
111.04614	0.2
113.02470	4.3
114.56467	0.2
116.92887	0.5
119.03513	2.7
119.04995	0.4
121.02972	1.5
121.06609	0.5
122.03793	0.6
123.00907	0.9
123.04621	0.2
125.02466	1.4
131.03542	0.8
135.04561	0.5
135.08223	0.3
136.05309	1.5
137.02467	1.0
139.00412	0.3
139.04063	0.3
139.11302	0.2
140.01164	0.2
143.03493	0.6
149.04573	0.4
149.06067	0.6
149.09785	0.2
150.06912	0.3
151.00412	0.5
151.04051	0.2
151.07683	1.0
153.02007	0.3
153.05618	0.2
161.04562	1.2
163.04012	0.3
163.07549	0.3
163.11383	0.2
163.91269	0.2
165.01973	1.0
165.05632	0.3
165.09175	1.4
165.12881	1.0
166.99861	0.3
167.03543	0.2
167.10780	0.5
168.00639	0.5
169.01454	1.7
179.03612	0.2
179.05667	0.7
179.07153	0.3
179.49323	0.2
180.04309	0.6
181.05022	0.3
181.12347	0.2
183.10280	0.3
183.13902	0.3
189.12943	0.9
191.10825	0.5
195.06679	0.6
197.11865	2.3
207.13916	1.8
209.11847	6.8
210.12308	0.4
225.07683	0.7
225.11417	0.3
225.14966	5.9
226.15367	0.5
227.12904	23.5
228.13293	1.4
233.11873	0.3
251.12935	0.8
269.13910	1.5
287.15039	0.8
301.03836	0.3
307.60852	0.2
313.05569	0.2
325.11417	0.4
327.21680	0.3
329.13937	0.4
329.22830	0.3
451.25854	0.4
463.30246	0.3
481.35791	3.4
482.35565	0.9
583.29938	0.6
625.36188	4.3
626.36523	0.9
643.37164	97.5
644.37488	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	643.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22478	0.3
55.01865	0.3
57.03449	1.0
58.00606	1.0
59.01382	96.7
60.01712	1.3
61.98836	10.7
71.01390	12.4
71.66977	0.6
72.99322	1.2
73.02950	5.3
73.52660	0.3
75.00903	0.3
83.01395	2.2
83.05030	0.3
85.02962	2.5
87.00894	1.1
88.98847	0.4
89.02462	7.9
93.03514	0.5
95.01413	0.9
95.05031	0.4
96.96019	0.4
97.02948	0.4
97.06609	0.5
99.00890	0.6
99.04524	1.4
101.02452	7.5
101.03073	0.5
109.02927	0.5
109.06612	0.6
111.00906	0.7
113.02469	4.5
116.92866	0.4
119.03509	2.5
121.03007	1.1
121.06617	0.4
122.03809	0.5
123.00952	0.7
123.04564	0.4
125.02480	1.2
131.03525	0.9
136.05334	1.3
137.02505	0.8
139.00356	0.4
141.39600	0.3
143.03574	0.6
149.04552	0.5
149.05998	0.3
150.03270	0.3
151.00426	0.4
151.07700	0.9
153.02087	0.3
155.53596	0.3
161.04568	1.1
165.01955	0.6
165.09262	1.4
165.12895	0.8
167.10886	0.4
168.09457	0.3
169.01457	1.4
179.03593	0.4
179.05655	0.6
180.04311	0.5
189.12923	0.8
195.06607	1.0
197.11885	2.1
207.13878	1.7
209.11842	6.8
210.12135	0.3
225.07649	0.5
225.14948	6.1
225.17032	0.5
226.15349	0.3
227.12895	24.8
228.13269	1.6
251.12674	0.4
269.13953	1.4
287.15088	0.7
325.11554	0.6
327.21689	0.4
415.23032	0.4
481.19275	0.3
481.30325	0.2
481.35593	3.3
482.35895	0.5
521.33295	0.4
583.30127	1.1
625.36267	4.6
626.36639	0.8
643.37134	100.0
644.37518	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	643.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.2
58.00595	1.1
59.01381	85.0
60.01717	1.6
60.99307	0.9
61.98834	60.9
69.45514	4.6
69.45940	2.7
71.01388	18.1
72.99325	2.5
73.02964	7.4
75.00911	1.3
78.95935	1.0
80.91706	1.0
83.01380	3.6
83.05054	2.5
85.02958	5.0
87.00906	2.1
88.98830	2.7
89.02456	10.5
89.02901	0.8
89.23817	0.7
93.03476	1.4
94.44777	0.8
95.01437	2.2
96.96054	2.9
97.02998	1.0
97.06641	0.8
99.00919	1.1
99.04548	1.7
101.02449	13.1
107.01418	1.1
109.02979	1.3
109.06630	0.9
111.00943	1.7
113.02467	6.7
116.92934	1.7
119.03555	3.0
120.99666	0.8
121.03020	2.1
121.06729	0.7
123.00945	3.1
123.04546	1.6
125.02472	7.5
131.03526	1.4
135.04620	1.2
136.05334	2.5
137.02490	3.4
143.03532	1.1
149.06158	0.9
150.03252	1.7
150.06946	0.7
151.00536	1.8
152.01108	1.1
153.01970	1.6
159.02979	1.0
161.04594	2.8
163.04045	0.8
163.11340	1.1
165.01974	2.1
165.09222	1.4
165.12912	2.2
168.00690	1.4
169.01450	7.2
169.12395	1.3
171.10275	1.1
177.02002	0.8
179.03564	1.0
179.05695	0.8
179.10786	1.0
180.04245	1.1
189.12865	1.2
191.10942	0.8
195.06689	2.8
197.11848	22.2
199.13477	0.9
207.10278	1.0
207.13962	1.0
209.11839	25.1
210.12225	1.9
211.13475	1.2
225.07745	2.1
225.11366	1.0
225.14958	6.5
227.12906	25.0
227.15051	1.4
228.13269	1.5
235.08200	0.8
251.12955	0.8
253.09387	2.3
258.18311	0.8
267.11121	1.1
268.83353	0.7
269.13852	1.7
279.15833	0.7
287.14969	1.2
301.00037	0.9
325.11581	2.2
337.20401	2.7
421.29767	1.4
433.20929	1.0
463.30579	1.0
480.34875	1.1
481.35693	5.0
581.26550	0.9
583.31970	1.1
607.38745	1.6
608.38123	0.8
625.36713	5.8
626.36713	1.0
628.68823	0.8
643.37274	100.0
644.37671	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
57.03436	1.1
58.00620	0.5
59.01372	7.5
61.98830	24.6
64.88271	0.5
65.21615	0.5
69.03454	1.1
71.01384	5.8
71.68187	0.8
73.02950	2.5
78.95908	0.7
81.03474	0.6
81.66906	0.5
83.01367	0.9
83.05049	1.3
85.02959	2.1
85.13947	0.4
87.00887	1.8
89.02454	4.3
95.01413	0.5
95.05058	0.5
96.96030	1.4
97.02967	0.6
97.06589	1.0
101.02451	5.3
111.08172	1.3
113.02485	3.1
115.04085	0.8
116.92870	0.8
119.03522	1.2
123.08051	0.5
125.02438	0.7
125.09737	0.7
133.05063	0.6
145.05025	0.8
151.11275	2.2
153.09225	0.7
153.12868	1.6
161.04585	1.9
163.11290	0.9
165.12842	9.0
166.13191	0.8
169.12340	14.9
170.12796	0.7
171.10333	1.3
179.05688	1.1
179.10782	1.0
183.13908	85.2
184.14204	5.1
197.11835	85.2
198.12166	5.5
199.13425	0.7
207.10312	0.6
209.11823	6.8
210.12187	0.9
211.13412	6.6
212.13657	1.2
213.11343	0.9
227.12895	6.3
228.13362	0.7
235.08229	3.2
253.09277	7.0
327.21768	0.7
419.22723	0.8
433.20898	2.1
445.20551	1.7
463.21713	4.5
625.31427	0.6
643.33417	100.0
644.33740	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	643.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
57.03439	0.2
58.00602	0.2
58.43969	0.1
59.01379	2.8
61.98834	1.7
65.53105	0.1
69.03458	0.6
71.01387	2.5
71.02378	0.3
71.02734	0.1
71.05012	0.2
72.99301	0.3
73.02943	0.6
80.02684	1.1
81.03460	1.3
83.01395	0.5
83.05033	4.7
84.02171	0.7
85.02970	0.8
87.00879	0.5
89.02448	1.9
93.03465	0.2
95.01352	0.1
95.05062	0.6
97.02951	0.2
97.06599	0.3
99.00880	0.2
101.02452	2.9
109.06611	0.3
111.08167	0.1
113.02475	1.2
119.03519	0.6
123.56265	0.1
125.02444	0.3
125.06079	0.5
125.09721	0.3
127.04004	0.2
131.03484	0.1
135.08176	0.4
141.09206	0.2
143.03539	0.3
145.05087	0.4
147.11853	0.1
151.11261	0.2
153.09181	0.2
153.12849	0.8
161.04575	1.0
162.04898	0.1
163.09979	0.2
163.11310	3.3
164.11600	0.1
165.12854	2.3
169.01582	0.1
169.12360	4.4
170.12694	0.2
171.10284	1.0
176.57184	0.1
179.05661	0.6
179.10782	0.4
181.12360	0.5
183.10307	0.1
183.13878	0.2
191.10771	0.8
197.11841	67.6
198.12195	4.4
199.13432	0.4
201.11333	0.4
207.10251	0.2
209.11836	100.0
210.12169	6.9
210.15125	0.1
211.13245	0.3
223.13354	0.6
227.12892	13.6
228.13202	0.9
235.08229	2.4
235.13405	0.7
236.08385	0.1
253.09279	8.3
254.09659	0.5
363.21655	0.1
371.22229	0.2
389.23450	0.5
407.24481	0.2
415.19727	0.3
433.15366	0.2
433.20776	2.0
434.21118	0.3
445.20822	1.8
446.21014	0.2
463.21802	0.3
607.31305	1.0
608.32050	0.2
625.32953	0.6
626.33295	0.1
643.36652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26830	0.5
57.03436	1.8
59.01379	5.1
61.98836	7.9
67.95610	0.6
69.03449	0.6
71.01387	5.5
71.51687	0.8
71.52007	0.7
72.99279	0.7
73.02955	1.3
76.36836	0.6
83.01387	0.6
83.05037	1.1
85.02966	0.7
87.00864	1.4
89.02457	3.1
95.01414	0.8
95.05037	1.4
97.06599	4.3
101.02459	3.9
108.27681	0.6
109.80066	0.6
113.02444	2.0
116.92847	1.1
119.03498	0.9
125.09645	0.6
145.03001	1.1
145.04967	0.6
151.11302	13.8
152.06628	0.7
152.44008	0.8
155.10814	0.8
161.04518	1.4
169.12355	65.6
170.12692	3.9
183.13934	6.6
184.14142	0.9
188.68915	0.6
193.12305	1.6
195.10277	2.2
197.11960	2.9
199.13382	0.8
209.11845	3.1
211.13411	54.9
212.13733	4.9
213.11331	8.7
213.13554	0.6
213.14056	0.5
225.11278	0.6
227.12895	1.3
235.08182	2.1
253.09265	4.0
264.37524	0.6
269.57840	0.6
285.04108	1.1
400.92883	0.6
431.19302	2.4
449.20221	4.0
463.21133	0.8
463.30838	1.0
465.17603	0.6
481.27780	0.8
624.81494	0.6
625.32849	0.7
643.33466	100.0
644.33789	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	643.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11796	0.4
55.01876	1.7
57.03453	2.3
59.01381	78.0
60.01714	0.8
60.99289	0.5
61.98834	14.2
69.03464	0.6
69.44250	3.2
69.44672	1.6
71.01386	13.1
72.99315	1.1
73.02953	4.7
74.02486	0.5
74.25784	0.4
75.00887	0.8
78.95892	0.6
80.21651	0.4
83.01390	3.7
83.05048	0.5
83.79311	0.4
85.02963	7.8
86.00140	0.7
87.00903	1.1
87.77523	0.4
88.98830	1.1
89.02460	3.8
93.03467	0.7
95.01405	1.9
95.05042	0.4
96.96027	2.7
97.02969	0.8
97.06607	1.0
98.19797	0.8
99.00893	1.6
99.04527	2.5
101.02461	9.3
107.01405	0.8
108.02225	0.9
109.02945	0.5
109.06643	0.5
111.00860	0.7
111.04572	0.5
112.01701	0.6
113.02460	6.2
115.72130	0.5
116.92966	0.6
119.03521	1.4
119.05040	0.5
120.99709	0.5
121.03017	0.5
121.06626	0.9
123.00916	1.8
123.04507	0.8
125.02470	3.9
129.01852	0.5
135.08151	0.5
136.05305	0.7
137.02496	2.8
139.04005	0.6
139.07655	0.6
140.01123	0.5
145.02850	0.7
149.04459	0.5
150.03270	0.8
151.00401	0.9
151.04016	1.3
152.01128	0.4
152.04858	1.0
153.01915	0.6
161.02376	0.6
161.04573	1.6
163.04027	2.8
164.04927	0.8
165.01933	1.6
165.05556	2.2
165.09248	0.7
165.12895	1.1
166.02573	0.6
167.10818	0.9
169.01486	3.0
178.06360	0.5
179.07118	0.6
180.04279	0.7
181.05083	5.9
182.05739	1.1
183.10321	0.5
189.12787	0.6
191.10887	0.5
195.06557	1.2
196.07419	10.8
197.07983	1.4
197.83005	0.4
204.04289	2.6
205.04962	0.6
207.13895	2.2
209.11833	4.3
210.05235	0.4
211.02545	0.4
211.09769	16.1
212.10159	1.0
219.06538	1.2
222.20715	0.4
225.07712	1.3
225.11473	0.7
225.14969	9.9
226.15240	0.7
227.12894	37.9
228.13264	2.7
238.08418	0.7
249.07643	3.0
255.15958	0.7
269.14090	2.4
287.14987	1.7
300.99994	0.7
325.09262	0.9
325.12701	0.7
327.21811	0.5
340.11646	3.9
341.12079	1.2
355.13974	15.4
356.14383	1.6
357.12991	0.4
358.12784	2.0
359.13480	3.0
373.15024	10.9
374.15286	0.6
401.14713	1.0
415.16217	3.4
416.16391	0.5
426.65759	0.6
465.31836	0.5
491.28976	0.8
588.31848	0.5
599.29480	1.0
625.19458	0.6
625.28876	9.4
626.29297	2.4
643.29730	100.0
644.30023	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	643.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03460	1.9
59.01381	76.0
60.01690	1.2
60.99300	1.3
61.98833	20.0
67.07201	0.8
69.03449	1.4
71.01384	11.3
72.99296	1.5
73.02953	8.8
74.99100	1.2
78.95903	1.3
79.01893	1.2
81.03461	1.2
82.01295	0.8
83.01392	5.5
85.02969	3.9
86.79224	0.8
87.00882	2.6
88.98804	6.0
89.02457	4.5
90.24763	0.8
93.03473	1.7
95.01401	3.4
96.96019	2.2
97.02927	1.0
99.00882	0.7
99.04529	2.1
101.02460	8.1
105.23722	0.9
107.01407	6.1
108.02174	8.3
109.02957	5.8
111.00903	2.2
113.02480	4.5
115.04753	0.7
116.92883	2.9
119.03500	0.8
121.02969	2.0
121.21651	0.7
122.03750	2.6
123.00905	9.8
123.04562	4.1
124.01686	3.8
125.02466	22.5
126.02834	0.7
127.00385	1.1
134.03767	1.7
135.00945	0.8
136.01700	1.0
136.98991	0.8
137.02434	2.6
137.06107	2.0
138.03081	0.9
139.00395	4.6
139.03922	0.9
140.01172	2.0
143.03468	0.8
149.02435	1.3
150.03267	8.8
151.00397	4.5
151.03964	2.0
151.07692	1.4
152.01146	2.3
153.01903	3.3
162.03230	1.1
163.04031	1.2
164.04553	0.9
165.01933	4.4
165.05560	3.3
165.12866	1.0
166.02748	5.5
166.99840	1.0
167.03525	1.2
167.10857	0.7
168.00662	3.7
169.01439	20.2
173.08138	0.9
177.01918	3.2
178.02737	56.6
179.03313	5.1
179.07161	1.3
179.14401	1.6
180.04271	1.1
181.05096	5.4
181.08752	1.1
183.02977	2.7
189.12836	1.3
193.05067	50.6
194.05420	3.2
195.06625	3.1
196.03819	1.6
207.13942	9.3
209.11838	9.1
211.02502	1.4
211.06065	3.8
225.14980	12.7
226.15332	1.6
227.12903	48.4
228.13194	3.8
233.11931	1.4
251.12953	2.1
269.13953	13.6
270.14380	1.0
271.04663	1.2
287.15002	100.0
288.15338	9.6
293.14020	1.7
300.09909	1.3
301.03561	1.3
301.10727	1.6
307.19131	1.0
313.10754	1.0
315.07190	2.3
315.12347	1.9
327.21808	1.4
329.16177	8.0
341.15372	0.9
343.10510	1.1
359.17221	5.0
360.17361	1.1
361.09229	2.0
373.11295	2.4
387.14703	1.2
389.18164	26.1
390.18481	3.4
415.12531	4.1
431.19171	2.2
449.20285	42.3
450.20511	5.2
452.10974	2.2
464.11115	2.7
467.13458	15.8
468.13950	2.6
479.13446	6.6
497.14728	4.4
498.14749	1.0
553.21021	4.3
554.21832	1.0
581.22205	1.4
625.25281	5.2
643.19562	24.4
643.27100	39.7
644.20538	9.1
644.29962	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	643.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.28951	0.6
55.95086	0.6
57.03450	5.8
58.00595	0.7
59.01382	8.3
63.40333	0.5
67.01899	0.9
68.99805	2.0
69.03464	6.7
71.01388	15.8
71.72224	1.0
72.99310	2.6
73.02956	14.4
75.00918	0.6
78.22504	0.5
81.03460	1.9
83.01385	5.1
83.05042	0.9
85.02959	60.5
86.03316	1.6
87.00884	100.0
88.01216	2.2
93.03457	0.7
95.01405	9.9
96.96024	4.8
97.02969	25.9
99.00915	1.6
99.04543	1.1
101.02461	2.5
103.04023	11.2
106.14299	0.6
109.02958	2.0
111.00879	3.8
112.01743	0.6
113.02468	40.6
114.02724	0.7
115.00389	13.2
115.04020	3.5
125.02502	1.2
127.04006	1.5
127.78369	0.5
129.01971	2.2
129.59682	0.6
131.03505	0.9
139.00383	2.0
145.05067	0.9
147.03049	0.5
157.00201	0.5
157.01436	10.5
165.04010	1.7
167.03488	0.5
173.04587	3.0
175.02495	61.6
176.02817	1.8
191.02042	0.8
217.03546	21.8
218.03734	0.9
237.49377	0.6
250.44615	0.6
250.61984	0.5
303.07211	30.0
304.07587	2.1
321.08292	12.3
322.08636	1.3
350.21445	0.6
381.10516	1.3
385.95190	0.6
479.10403	11.5
480.10751	1.1
485.92017	0.6
497.11438	1.5
539.12531	16.9
540.12988	2.1
592.90338	0.6
625.16357	12.7
626.16730	2.4
643.17413	48.5
644.17645	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	643.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22669	0.7
57.03446	1.8
59.01375	3.3
61.98824	2.6
66.40904	0.7
67.01888	3.7
69.03451	1.5
71.01385	5.9
71.74173	1.2
73.02953	0.9
81.03470	2.0
83.05017	1.3
85.02956	6.1
87.00885	2.2
89.02435	2.6
93.03474	22.2
95.01342	0.9
95.05042	0.8
97.02976	1.2
101.02435	1.6
107.01413	1.2
107.05039	1.1
108.02203	0.9
109.02964	6.0
111.00905	1.6
111.04554	5.8
113.02459	1.3
114.93449	1.5
123.00900	1.4
123.04541	3.4
125.02472	7.4
127.04070	1.4
133.02982	1.3
134.03751	3.0
135.04547	68.1
136.04901	2.5
137.02472	7.5
139.04053	1.4
151.04056	1.9
153.01915	1.1
155.03548	4.3
159.73877	0.7
161.02480	3.4
161.06117	1.5
163.04080	0.9
165.01898	1.0
167.03574	1.1
169.01443	4.6
173.04582	100.0
174.04933	3.6
179.03525	63.7
180.03885	3.0
183.02977	3.2
187.04007	1.0
188.04761	0.8
191.05650	48.4
192.05943	1.3
203.07202	2.9
205.05092	1.7
245.08151	3.4
289.07190	19.1
290.07520	1.1
300.99890	2.4
313.05688	2.5
353.08795	85.8
354.09131	7.3
450.99969	0.7
481.09863	2.6
643.14771	2.1
643.24237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
58.00626	0.2
59.01375	1.8
61.98828	4.1
69.03442	0.3
69.03799	0.1
71.01382	1.6
71.66338	0.1
72.99317	0.1
73.02946	0.4
78.95903	0.3
83.01367	0.2
83.05048	0.2
83.79520	0.1
85.02950	0.5
85.10674	0.1
87.00891	0.5
89.02447	1.1
95.01401	0.1
96.96005	0.1
101.02444	1.6
110.25849	0.1
113.02460	1.0
119.03499	0.2
125.02491	0.2
133.05043	0.1
143.03404	0.2
145.02995	0.2
145.05112	0.1
155.10788	0.2
161.04555	0.6
165.12865	0.4
167.10799	0.2
167.14429	0.5
171.10298	0.3
179.05640	0.3
183.13914	6.6
184.14236	0.5
193.12369	1.8
197.11806	0.5
207.10504	0.1
209.11880	0.4
211.13396	100.0
212.13725	6.9
225.11406	0.2
235.08200	1.6
253.09270	4.2
254.09808	0.1
265.14938	0.2
293.17484	0.2
360.37762	0.1
374.02631	0.1
387.25330	0.6
391.02966	0.1
403.83459	0.2
405.26590	0.4
429.21240	0.7
445.29745	0.1
447.22333	6.0
448.22836	0.7
486.26740	0.1
565.25165	0.2
623.34650	1.2
624.34479	0.4
629.61761	0.1
641.35229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.2
58.00600	0.3
59.01379	2.9
61.75327	0.2
61.98827	3.2
69.03466	0.3
71.01384	4.5
71.11547	0.2
71.67591	0.2
73.02943	1.0
78.95902	0.2
80.24064	0.2
81.03469	0.3
83.01401	0.5
83.05048	0.2
85.02950	1.9
86.18240	0.2
87.00885	0.3
89.02446	1.2
91.27248	0.2
92.11916	0.2
93.09428	0.2
95.01387	0.2
96.95999	0.2
97.02927	0.2
99.00902	0.6
101.01849	0.3
101.02458	3.5
101.74236	0.2
113.02455	1.8
119.03544	0.2
125.02473	0.3
125.09720	0.2
131.03517	1.3
143.03592	0.3
145.05077	0.2
155.10733	0.2
159.03108	0.3
161.04582	1.7
167.10840	0.3
167.14398	0.6
171.10304	0.6
179.05641	0.4
183.13913	6.3
183.72777	0.2
184.14363	0.3
193.12329	1.6
194.12822	0.2
197.11742	0.3
199.51637	0.2
203.06685	0.2
207.10316	0.3
209.11713	0.4
211.13400	100.0
212.13733	6.7
225.11264	0.2
235.08257	1.6
253.09264	4.0
254.09456	0.2
387.25381	0.6
405.26630	0.4
429.21252	0.8
430.21976	0.2
447.22348	5.9
448.22791	1.1
449.29114	3.1
450.29590	0.6
581.33307	4.8
582.33447	0.8
623.34686	0.8
641.37769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02140	0.2
57.03421	0.3
59.01379	6.1
61.98824	3.5
69.03439	0.5
71.01386	6.0
71.74484	0.3
72.65850	0.3
72.99329	0.4
73.02946	1.8
76.62099	0.2
78.95910	0.4
79.28338	0.2
81.03519	0.3
83.01398	0.6
83.05014	0.4
85.02960	2.4
87.00884	0.5
89.02455	2.2
95.01368	0.4
97.02951	0.4
98.20622	0.8
99.00899	0.6
101.02454	4.4
109.06590	0.3
113.02435	2.1
119.03541	0.3
124.25771	0.3
125.02458	0.5
131.03531	2.0
143.03407	0.4
151.11298	0.3
161.04596	2.3
167.10910	0.4
167.14426	0.6
171.10295	0.4
179.05615	0.4
181.12366	0.2
183.13911	6.5
184.14294	0.5
193.04672	0.3
193.12325	1.6
197.11858	1.8
199.13170	0.2
207.10210	0.4
209.11879	0.4
211.13399	100.0
212.13744	7.6
212.15797	0.4
225.11243	0.8
230.18887	0.3
235.08197	1.7
253.09283	4.7
254.49457	0.2
387.25308	0.4
429.21292	0.8
447.22394	5.2
448.22812	1.0
449.29111	4.4
450.29453	0.8
581.33350	8.4
582.33630	2.1
623.34802	1.1
624.34296	0.3
641.33508	0.6
642.34021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03440	1.6
58.66359	0.4
59.01380	48.5
60.01698	0.5
60.28439	0.4
61.98831	13.1
69.03473	0.7
69.49446	4.7
71.01386	9.8
72.99310	0.9
73.02953	12.1
75.00881	0.6
82.02901	0.4
83.01395	15.4
85.02959	2.6
87.00876	0.6
88.98845	2.3
89.02453	2.1
93.03448	0.8
95.01414	1.1
95.05038	0.8
96.96017	1.7
97.02924	1.0
97.06588	1.6
98.20638	1.1
99.00879	0.9
99.04532	1.5
99.92574	1.3
101.02454	10.1
101.03073	0.8
105.01918	0.8
105.03497	2.5
108.02172	1.1
109.02953	1.4
111.00910	0.6
113.02462	3.1
116.30415	0.5
116.92878	21.4
117.01942	1.1
117.92856	1.6
119.03536	1.1
119.05072	0.8
120.99657	1.1
121.02930	2.2
123.00877	0.9
125.02454	5.1
133.02971	1.2
135.04530	0.9
136.48248	0.5
137.02467	0.9
137.09882	0.5
143.03523	1.3
145.02982	0.6
150.03198	0.5
151.00430	2.3
151.04033	5.7
152.01157	0.9
153.01881	0.5
161.02464	31.1
161.04547	0.9
162.02972	1.0
165.05595	0.9
165.12788	0.8
167.10754	4.4
169.01459	3.4
176.04811	20.8
177.05252	1.1
179.03510	53.8
180.04082	4.3
181.05084	0.8
189.12914	0.6
191.07164	8.9
193.05028	0.6
194.05850	54.8
195.06567	7.6
207.13843	2.7
209.08199	100.0
209.11790	4.2
210.08531	5.1
211.02550	0.8
223.13382	0.7
225.14987	8.0
227.03323	0.6
227.12894	30.9
228.13208	2.4
233.11879	1.8
243.02948	1.4
251.12808	2.8
255.02971	1.2
269.13907	9.2
270.14429	0.6
271.02307	2.9
272.02911	0.9
283.01056	0.5
283.15485	0.8
285.04068	0.9
287.14999	23.9
288.15414	1.5
293.14020	1.0
299.02026	5.0
300.02686	3.1
303.05206	0.6
311.14948	2.3
313.03528	0.9
314.04300	3.4
315.05057	12.1
316.05441	1.2
329.16235	2.5
335.15079	0.9
353.16077	1.2
371.17255	4.7
372.17606	0.6
413.18259	1.8
431.19196	18.2
432.19452	2.5
477.10382	3.1
479.09860	1.9
479.31857	0.8
519.11438	1.9
520.11896	0.6
581.31592	0.5
623.26898	1.3
641.28333	30.5
641.37762	5.9
642.28680	7.0
642.37695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49267	0.1
54.72993	0.1
59.01372	0.5
61.81140	0.1
61.98828	100.0
62.98530	0.2
63.77385	0.1
70.90347	0.1
78.95907	3.9
80.96567	0.2
83.05035	0.4
95.00878	0.1
96.97003	0.4
98.19887	0.2
125.09695	0.1
133.52612	0.1
133.63445	0.1
139.09982	0.1
152.99594	3.0
167.35956	0.1
209.11832	3.0
211.13446	0.2
227.12987	0.4
277.21710	1.3
346.87781	0.1
363.12143	1.8
381.13272	0.5
413.21140	0.3
431.22028	0.1
555.28619	0.3
640.43347	0.2
641.34534	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1374
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
59.01377	2.9
61.98829	3.5
63.02392	0.6
65.00317	1.0
71.01382	1.8
71.45892	0.3
71.72923	0.4
74.99091	0.4
75.00872	0.3
83.01389	1.1
84.75490	0.3
85.02972	0.6
85.95741	0.3
87.00874	0.5
88.98820	0.7
89.02447	1.4
96.89272	0.3
96.96021	0.5
97.02847	0.3
97.22796	0.3
99.00881	0.5
101.02463	0.9
105.01938	0.9
107.01414	2.6
109.02976	1.3
111.00920	0.6
113.02441	0.5
115.00364	0.4
115.01338	0.3
116.92922	0.4
119.03516	0.4
120.99687	0.8
121.03002	0.6
123.00893	0.5
124.01675	1.1
125.02446	1.7
135.04536	0.5
136.01616	0.3
136.99158	0.6
137.02472	5.5
149.02402	0.6
150.03279	0.5
150.99165	0.6
151.00383	11.6
152.01004	1.2
153.01892	0.5
155.10831	0.3
161.02553	0.3
161.05916	0.3
163.00363	1.2
163.03995	0.4
164.01184	1.0
165.01921	0.7
165.05507	0.4
167.03510	0.3
169.01451	2.7
177.01984	0.6
178.99870	10.5
179.03340	0.3
180.00119	0.4
181.05035	0.5
181.12354	0.3
187.04013	0.5
189.01782	0.3
191.05566	0.4
192.00642	0.7
193.01309	0.4
199.03957	0.5
203.03557	0.6
204.04285	0.4
207.10278	0.7
214.02751	2.9
215.03294	0.5
216.04060	0.3
219.02962	0.4
225.11366	2.0
227.03494	0.5
242.02190	3.2
243.02884	1.6
243.12384	1.0
244.03673	0.4
259.02380	3.3
260.02975	0.3
270.01688	5.2
271.02457	25.1
272.02817	2.2
287.01971	13.5
288.02512	1.9
299.01999	0.3
301.00342	0.4
301.03448	1.6
302.03857	0.3
315.01495	1.7
316.02240	77.8
317.02966	47.4
318.03348	3.6
359.04242	0.3
361.22366	0.6
477.07025	0.4
479.08286	100.0
480.08609	14.1
491.21106	0.4
641.13934	6.8
641.26477	4.1
642.14459	1.5
642.26715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.32961	0.4
60.01715	1.6
60.97609	0.3
61.98832	42.9
71.01402	1.1
71.72412	0.7
78.95923	1.7
80.02667	0.5
83.05045	1.9
85.02984	0.5
89.02464	0.6
117.18732	0.5
125.09736	0.7
126.95517	0.4
152.99683	0.9
163.11296	0.8
195.13866	2.9
209.11836	53.8
210.12175	4.0
211.13466	0.7
227.12903	6.9
255.23399	1.6
268.52048	0.6
277.21677	4.1
278.21790	0.5
293.21402	0.5
295.22787	40.3
296.23114	5.0
341.10944	1.0
454.61868	0.6
487.34567	1.7
639.42926	2.0
658.76978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01423	0.1
61.98830	100.0
62.98532	0.2
69.40908	1.0
70.88972	0.1
72.52995	0.1
75.23018	0.1
78.20400	0.1
78.95925	0.2
85.43063	0.1
91.51615	0.1
98.20680	0.2
152.99641	0.3
211.13483	0.4
297.67993	0.1
442.93445	0.1
641.35065	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03439	2.1
57.34197	0.4
58.00596	0.8
59.01380	88.3
60.01719	2.2
60.99304	1.3
61.01778	0.6
61.98832	35.3
69.03477	1.1
69.39835	0.4
71.01385	17.6
71.47555	0.7
72.98026	0.4
72.99324	1.5
73.02950	12.6
75.00889	1.1
78.95933	0.7
83.01390	4.9
83.05046	0.7
85.02953	5.6
87.00883	2.0
88.98815	5.0
89.02467	6.2
93.03474	1.0
95.01390	1.1
96.96023	0.9
97.02998	0.5
97.06611	0.8
99.00909	0.9
99.04503	2.5
101.02453	11.9
102.02898	0.5
103.02849	0.4
103.21743	0.5
107.01404	0.5
109.03002	0.8
109.06604	1.2
111.00892	0.8
111.08195	0.5
113.02470	6.7
116.92886	1.4
118.45095	0.5
119.03541	1.3
119.05025	0.6
121.02940	0.5
121.06643	1.1
123.00950	1.0
123.04543	1.2
125.02460	4.1
126.02791	0.4
129.02029	0.5
131.03560	1.6
135.04558	0.6
136.05345	2.3
137.02477	2.8
137.09737	0.6
139.04025	0.8
141.01926	0.5
143.03488	1.0
149.04578	0.9
149.06149	1.1
150.03294	0.5
151.00356	1.0
151.04018	0.9
151.07594	0.7
159.03065	0.5
161.04553	2.3
163.03947	0.7
165.01962	2.0
165.05579	1.1
165.12888	1.5
167.03474	0.5
167.10822	1.3
169.01436	3.7
170.01735	0.7
177.01994	0.5
179.03542	0.9
179.05667	0.6
180.04362	1.5
189.12854	1.3
191.03453	0.5
191.10835	0.6
192.04221	0.5
193.01456	0.5
193.74161	0.4
195.06573	2.3
205.12376	0.8
206.02267	0.5
207.10344	1.0
207.13884	5.4
208.14217	0.5
209.11829	7.7
210.12276	0.6
211.13399	0.7
223.13440	0.7
225.07713	1.3
225.14966	9.0
226.15306	0.9
227.12889	34.6
228.13159	2.5
233.11798	0.9
233.38013	0.5
249.11305	0.5
251.12939	2.5
269.13928	6.6
270.14279	1.6
282.50061	0.4
287.11853	1.0
287.15002	14.6
288.15399	1.4
293.14105	0.8
297.11884	0.9
304.07321	0.4
311.15323	0.7
315.16110	3.3
329.16086	0.9
359.28064	2.7
389.18167	1.8
431.18909	0.9
432.19498	0.6
433.19830	0.7
447.29837	2.2
449.20590	2.3
451.20593	0.6
459.27246	0.8
461.31613	0.5
477.32556	4.5
478.32584	0.7
488.36316	0.6
492.35806	0.6
507.34769	1.0
517.30615	0.9
576.23828	9.6
576.32355	0.7
577.23895	0.9
579.34302	0.9
607.22131	0.5
621.33032	5.2
622.33759	0.8
639.33954	100.0
640.34302	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	639.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.2
58.00605	0.8
59.01379	100.0
60.01711	0.9
60.99313	0.9
61.98831	27.4
69.67192	3.0
71.01387	16.7
72.99324	1.9
73.02951	6.4
75.00941	0.6
78.95919	1.9
83.01398	3.4
83.05045	0.5
85.02959	5.5
87.00896	2.0
87.04511	0.6
88.98824	1.9
89.02455	8.7
93.03471	0.8
93.34996	0.5
95.01403	1.3
95.05083	0.7
96.96038	0.6
97.06598	0.9
98.19905	1.0
99.00882	1.0
99.04547	2.4
101.02459	10.3
101.11643	0.4
105.01920	2.1
105.36729	0.4
108.02232	0.6
109.02953	0.8
109.06617	1.0
111.00958	0.5
113.02464	6.7
116.92888	1.3
119.03520	2.5
121.06615	1.0
123.04572	0.5
125.02480	1.9
128.37617	0.5
130.04306	0.4
131.03534	1.0
133.01445	1.0
136.05330	1.5
137.02512	2.3
137.09734	4.2
139.00328	0.4
143.03558	0.8
145.02899	0.7
149.04546	0.8
149.06036	0.4
150.03224	0.6
152.01231	0.5
152.99648	0.5
153.01939	0.6
161.04617	2.2
161.05885	0.5
163.03873	0.5
163.07567	0.5
163.11270	0.8
165.02008	0.8
165.05559	0.7
165.12868	1.3
167.03468	0.6
167.10890	0.6
169.01440	0.6
179.05598	0.8
189.12915	1.6
195.06627	1.0
205.12386	0.6
207.10373	0.5
207.13916	6.2
208.14226	0.7
209.11839	8.7
210.12215	1.0
211.13423	2.0
225.14948	10.1
225.17014	0.8
226.15401	0.7
227.12889	34.1
228.13162	2.6
233.11798	0.9
251.12914	1.9
253.14178	0.5
269.13922	9.0
270.14343	1.1
287.15005	34.7
288.15176	2.6
293.13834	0.4
297.11841	1.2
329.16016	2.8
359.17111	1.9
359.28088	2.2
371.16943	0.6
389.18152	7.3
390.18472	0.9
405.24622	0.6
411.19843	0.5
431.19073	1.2
446.28622	0.5
447.30121	2.1
449.14377	0.8
449.20303	12.2
450.20721	1.8
477.32196	1.6
507.35223	1.0
579.34094	1.1
621.32910	2.7
622.33636	0.7
639.33899	92.5
640.34265	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	639.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04911	0.5
51.91821	0.7
55.01871	1.7
57.03448	2.2
58.00584	0.8
59.01381	22.4
61.98832	23.4
65.03952	2.4
66.18968	0.7
71.01385	24.9
71.75610	0.8
72.99305	2.6
73.02959	5.7
75.00863	0.6
75.54980	0.6
77.82300	0.6
78.95911	9.0
80.02684	0.8
81.03451	1.9
83.01395	2.6
83.05036	6.9
84.02193	0.7
85.02961	7.8
85.06586	1.2
86.00086	0.8
87.00887	7.8
87.04513	0.8
88.98809	1.4
89.02453	9.5
89.38223	0.6
90.49913	0.6
91.05518	0.6
93.03455	1.3
93.07138	0.7
95.01402	2.0
95.05061	1.5
96.96078	0.9
96.96993	1.1
97.02952	2.0
97.06600	3.7
99.00886	1.2
101.02461	16.4
102.02892	0.6
105.07123	1.1
107.08673	0.9
108.02218	0.9
109.02975	1.1
109.06607	2.7
111.00888	1.0
111.04517	1.7
111.08178	5.7
112.13820	0.8
113.02468	8.8
116.92916	0.8
119.03493	2.2
119.05051	1.1
119.08752	0.6
121.02942	0.9
121.06615	0.7
123.00887	0.8
123.08176	2.0
125.02456	2.5
125.09740	14.3
127.11286	0.9
133.06566	1.0
135.08202	1.1
136.05313	1.3
137.09750	1.4
143.03453	1.2
145.05084	3.8
149.04460	0.8
150.61316	0.6
151.11237	0.6
152.99617	6.6
153.01947	0.6
155.10770	0.9
159.11877	0.6
161.04556	4.5
163.07558	0.6
163.11288	2.5
165.09206	1.0
165.12878	1.3
169.01492	0.7
171.10286	52.3
172.10631	3.5
179.05637	1.6
183.13899	2.4
185.11835	2.5
187.09761	1.2
187.14948	1.2
189.12878	0.9
189.16531	1.2
193.12241	0.7
197.13359	1.0
197.36075	0.6
202.59746	0.6
203.14447	0.8
205.15930	4.0
207.13902	1.9
209.11848	34.1
210.12242	2.2
211.13402	36.7
212.13760	1.4
213.14915	0.7
215.14403	11.6
216.14696	0.6
221.15486	2.3
223.13303	0.8
225.11363	0.8
231.13918	4.0
232.14066	0.7
233.15457	40.5
234.15820	3.5
235.08228	10.1
235.13385	2.4
247.17088	0.9
249.14949	25.4
250.15277	1.5
251.16461	1.7
253.09277	6.4
257.17499	1.1
265.18137	1.0
268.57776	0.6
273.14761	0.6
275.16650	0.6
280.99268	0.7
294.44525	0.7
305.20953	0.7
323.23810	1.3
331.26398	2.7
339.23254	1.3
341.24835	4.9
342.25037	0.8
357.24438	1.5
359.26044	2.5
363.12317	1.0
367.22601	3.4
375.25363	5.7
376.25516	0.9
379.15207	1.6
385.23834	26.0
386.24200	3.8
393.26276	2.1
395.14850	1.2
403.24915	40.7
404.25162	5.2
407.19174	1.8
421.25967	10.0
422.26288	0.9
445.20688	1.2
447.22455	1.5
447.29678	0.6
459.27615	1.0
477.32544	0.9
485.23724	1.8
491.33817	0.7
575.26178	3.3
607.28845	3.4
608.29333	0.9
611.34448	3.4
621.32928	100.0
622.33301	18.9
639.33905	54.3
640.34320	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	639.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.5
58.00573	0.4
59.01383	22.3
60.01738	0.4
60.99295	0.4
61.98836	12.7
66.42935	0.4
67.01855	0.4
69.03473	0.4
69.60111	0.4
71.01391	6.3
71.73385	0.7
72.99304	1.2
73.02952	1.8
74.99091	0.9
75.00877	0.8
81.03457	0.4
83.01386	1.4
85.02972	2.4
87.00872	2.1
88.98812	3.2
89.02460	3.3
93.03466	0.5
95.01419	0.8
96.96029	5.0
96.97000	0.5
97.02951	0.4
98.95621	1.4
99.00905	0.8
99.92623	0.9
101.02453	3.7
103.04013	0.5
107.05031	0.5
108.02191	0.5
109.02970	3.0
111.00913	1.0
112.98837	0.5
113.02499	2.2
115.38341	0.4
116.92880	12.1
117.01949	0.7
117.92889	0.6
117.97340	0.6
119.03526	0.7
120.99658	2.2
121.02971	1.4
122.03766	1.1
123.00918	1.4
123.04533	1.1
124.01685	0.7
125.02475	3.9
131.04941	0.4
133.03015	0.7
135.04527	2.5
136.99153	0.4
137.02475	6.4
137.06047	0.4
138.03252	0.7
139.00369	0.9
139.03952	0.6
142.50645	0.4
145.02959	0.5
146.03760	1.1
149.02434	1.2
149.06067	0.6
150.03229	1.0
151.00391	10.6
151.04016	2.2
152.01122	1.5
152.04803	1.2
153.00179	1.7
153.01964	0.6
153.05574	0.7
159.04547	0.7
161.02444	3.8
161.04594	1.0
161.05981	0.8
162.03110	0.7
163.03979	1.0
164.04698	1.1
165.01910	1.3
165.05591	1.4
166.02739	32.4
167.01767	0.7
167.03362	2.8
168.02425	0.6
169.01410	1.9
174.01778	0.6
175.02678	0.4
175.04015	0.9
176.01196	0.4
177.01965	2.4
177.05592	0.7
179.03575	0.8
179.05579	0.6
179.07158	1.0
181.01683	0.9
181.05087	41.7
182.05365	2.3
188.04813	0.5
190.06371	0.5
192.04337	1.5
193.05080	1.2
195.03036	0.6
195.06602	1.1
204.04259	0.5
205.05045	0.8
205.08678	0.9
207.06650	0.9
209.04601	0.5
219.02962	0.9
227.12814	0.4
234.05400	0.7
249.06171	1.6
279.08667	1.9
283.09891	0.4
299.99118	0.8
300.99966	0.9
341.10345	0.9
341.14020	0.5
343.21252	0.6
344.08337	0.4
345.13052	0.5
353.29987	0.4
356.07413	1.1
359.05508	0.5
359.11392	2.6
359.24323	0.4
361.80643	0.4
374.08304	10.6
375.08688	1.2
387.05707	0.4
387.10846	16.8
388.11270	1.9
389.10678	18.3
390.11011	2.7
394.82294	0.4
402.13220	11.3
403.13562	1.9
417.15564	100.0
418.15894	13.7
459.15326	3.0
460.15625	0.7
469.73862	0.4
549.16357	0.7
579.29907	1.0
621.21344	0.5
639.17340	1.3
639.25244	1.2
639.34912	1.2
640.38690	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03448	1.5
58.00607	0.6
59.01381	16.0
60.99313	1.1
61.98833	18.1
69.03441	0.5
69.84611	0.9
69.85021	2.0
71.01388	16.7
72.99323	1.3
73.02949	4.7
74.41492	0.4
75.00884	0.8
75.11038	0.3
77.12517	0.4
78.95919	1.8
83.01395	31.1
83.05059	0.5
84.01749	0.7
85.02962	6.0
86.71822	0.4
87.00897	1.2
88.98820	6.0
89.02451	3.7
93.03471	23.7
94.03830	0.8
95.01384	1.8
96.96036	0.9
96.99333	1.1
97.02942	0.6
99.00899	1.8
101.02461	11.7
107.05029	0.5
108.02211	1.0
109.02963	1.1
109.06617	0.5
113.02467	6.2
116.92884	4.0
119.03518	0.9
119.05025	1.0
120.99728	0.4
121.02967	6.4
121.03738	0.7
122.03766	7.5
123.00885	0.8
123.04565	4.6
125.02454	2.8
131.03516	0.9
133.02959	0.5
134.03810	0.6
135.04564	1.5
135.06686	0.5
136.01714	2.0
136.05321	2.0
137.02469	51.5
137.06085	6.1
138.02812	2.0
143.03500	0.7
146.03735	0.5
147.04562	3.1
149.02444	1.4
149.06085	0.9
150.03235	0.5
151.00406	0.6
151.04039	1.6
152.01224	0.5
154.02751	0.5
155.10776	0.7
161.02487	0.9
161.04561	1.9
161.06108	2.1
161.09726	0.6
162.06870	1.1
163.03989	0.8
163.07695	0.6
163.11293	0.8
165.05571	0.9
165.12834	0.6
166.02448	0.4
167.03528	0.4
168.04283	0.6
169.01437	1.3
175.03986	0.6
177.01900	0.4
179.03479	1.1
179.10855	0.5
187.11383	0.5
189.05554	0.5
189.09366	0.4
191.03516	0.6
191.07181	0.5
193.04945	0.5
195.06639	1.0
205.05017	0.7
205.12436	1.0
206.05864	0.5
207.06645	1.1
207.10254	1.2
209.08168	2.0
209.11853	1.8
210.12151	0.6
218.68095	0.4
221.04614	0.6
221.08232	2.4
223.13391	0.8
249.11327	0.4
255.15926	1.3
267.12372	1.0
269.13861	0.6
281.06668	100.0
282.07016	6.9
285.04385	0.4
297.11841	1.1
298.12241	1.2
299.12558	0.5
313.14587	0.6
327.21826	1.4
342.11105	3.3
343.11832	12.7
344.12332	0.9
357.13425	21.8
358.13940	2.3
359.27905	1.2
429.17566	0.9
447.30081	0.7
459.14468	0.4
459.27853	0.8
477.32092	0.8
489.15515	0.8
507.35440	4.1
517.29736	0.4
561.29291	3.1
601.69586	0.4
638.37683	0.5
639.20959	18.0
639.33478	4.7
640.21338	3.9
640.31708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1216
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
57.03479	0.7
59.01382	4.1
61.37061	0.3
61.98868	0.8
63.02403	1.6
65.00323	3.0
65.67378	0.3
68.99886	0.4
69.83267	2.3
71.01380	6.8
72.99342	1.1
73.02972	0.9
75.00912	1.1
83.01385	2.8
85.02973	3.8
87.00905	0.7
89.02508	1.1
93.03509	1.0
95.01392	1.6
96.96025	1.7
99.00895	1.8
101.02505	0.6
103.00416	1.6
107.01413	10.3
107.02103	0.6
108.02256	1.3
109.03020	1.2
111.00891	0.3
113.02459	5.7
115.50295	0.3
117.01980	0.5
119.05080	0.4
121.02979	7.7
122.03337	0.4
123.00920	0.4
123.04624	0.4
125.02483	1.5
129.02017	0.4
133.03084	0.4
137.02646	0.4
139.04146	0.4
147.04613	0.5
147.08324	0.4
149.02458	1.5
149.06122	0.8
151.00397	39.8
152.01077	2.6
161.02495	0.7
163.00435	1.3
163.04088	0.7
164.01207	0.7
164.07195	0.4
165.01952	0.4
165.05687	0.3
169.00096	0.5
169.01434	3.0
175.02493	3.7
175.03923	0.4
178.99886	16.6
180.00270	0.8
181.05116	0.7
193.01501	0.8
193.05031	0.8
195.69487	0.4
201.05545	0.6
205.05214	0.4
206.08293	1.1
207.08492	0.6
209.04578	0.3
211.04115	0.8
228.04266	0.4
228.14896	0.3
229.05199	0.7
239.03380	0.4
242.08000	0.4
243.03003	0.5
245.04591	1.2
253.07207	1.4
253.10861	0.7
255.02960	1.5
257.04620	0.8
271.02472	1.7
272.02927	0.5
273.04193	1.7
300.02771	8.6
301.03549	100.0
302.03897	10.6
459.05920	0.4
463.08853	17.2
464.09277	2.5
477.06726	24.1
477.12112	0.9
478.07047	3.0
489.17639	0.4
592.54138	0.4
639.12012	17.7
640.12097	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	638.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90226	0.2
56.18468	0.2
58.75325	0.2
59.01379	1.4
61.98831	100.0
62.55713	0.3
62.98560	0.4
64.34413	0.2
71.71309	0.3
78.95922	0.5
101.92558	0.2
103.20232	0.2
116.92919	0.3
133.45918	0.2
147.90172	0.2
211.13385	0.2
298.63660	0.3
341.11154	0.3
458.34155	0.3
596.07941	0.2
638.42365	0.4
639.41797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72293	0.6
56.70986	0.5
59.01380	100.0
60.01719	0.6
61.80342	0.5
61.98835	12.2
69.49484	1.0
69.49890	4.5
71.01395	0.7
78.95907	1.2
81.03495	0.6
83.05054	1.5
86.67265	0.6
86.93810	0.5
87.09753	0.5
121.02994	0.5
123.03011	0.5
130.54688	0.6
141.01741	1.7
147.60612	0.5
162.83891	0.7
163.11308	1.6
173.04103	0.5
195.13937	1.8
209.11848	71.2
210.12234	6.5
211.13409	0.6
223.13443	1.7
224.08296	0.5
227.12878	6.0
228.13191	0.9
251.35170	0.5
255.06053	0.6
275.20154	2.3
293.21222	36.1
294.21628	4.2
402.60742	0.5
410.42319	0.5
577.37518	0.9
637.32269	1.0
637.41602	0.7
665.35413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
56.54460	0.3
57.03448	2.2
58.00605	0.4
59.01376	33.3
61.98830	7.5
63.02383	0.3
69.03443	0.6
71.01382	10.8
71.05043	0.4
72.99312	1.1
73.02950	5.4
75.00883	0.6
78.95937	0.5
80.02685	0.7
81.03480	1.0
83.01390	2.9
83.05032	5.1
83.91760	0.3
85.02946	4.1
87.00872	1.8
88.98822	1.0
89.02452	4.2
93.03469	0.5
95.01386	1.6
95.05035	1.0
97.02945	0.5
97.06600	0.8
99.00900	0.8
99.04531	1.9
101.02449	7.3
105.01936	0.4
107.05057	0.5
109.06627	1.4
111.00899	0.3
113.02458	5.1
116.16740	0.3
116.92853	0.9
119.03519	1.3
119.05007	0.4
120.05807	0.4
121.06593	1.1
123.08173	0.6
125.02467	1.1
125.06077	0.7
125.09741	1.0
127.07587	0.3
131.03525	0.5
135.08170	0.5
136.05348	0.6
138.06882	1.2
139.07602	0.3
143.03487	0.5
147.11777	0.5
149.04536	0.3
151.07690	1.4
152.08432	1.5
153.09227	5.3
154.09584	0.4
161.04564	2.2
161.09740	1.3
163.11302	3.8
163.14957	0.3
165.12849	9.7
166.13216	0.5
169.01410	0.6
171.10271	0.9
172.72235	0.3
179.05675	0.4
179.10765	0.5
181.12360	0.4
185.11858	0.4
187.04060	0.4
187.11305	0.9
189.09317	0.4
189.12866	1.9
191.10854	0.9
203.14587	0.4
205.12329	5.2
206.12627	0.8
207.10254	0.9
207.13902	7.4
208.14307	0.4
209.11830	100.0
210.12163	7.4
221.15508	0.5
223.13411	1.2
225.14986	1.2
229.05042	0.6
230.05305	0.6
231.13901	1.4
233.11714	0.5
235.08205	1.2
247.13469	0.9
249.14914	0.8
251.12827	3.3
253.09245	2.4
255.02962	0.6
257.04306	0.5
269.13919	25.9
270.14294	2.5
275.12927	0.8
284.03082	0.5
285.04065	4.1
286.04346	4.3
287.04681	3.4
311.15030	1.5
321.22290	0.6
325.01834	0.3
327.08835	0.6
339.23154	0.9
341.16132	1.6
367.17581	1.3
369.18839	0.4
371.17151	4.8
372.17377	0.6
373.23801	0.4
383.22067	2.0
385.18832	0.5
401.23392	4.6
402.23599	0.7
419.24316	2.1
429.75311	0.3
431.19214	11.8
432.19495	1.4
445.20752	1.2
445.27579	0.5
491.10635	0.4
505.33633	1.5
619.31464	4.0
620.32166	0.9
637.32257	56.4
638.32556	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	637.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94093	0.6
55.01889	0.7
57.03452	6.0
58.00588	0.9
58.03807	0.7
58.79342	0.5
59.01381	83.2
60.01722	1.3
60.99298	0.9
61.98833	21.3
63.36763	0.6
67.10069	0.5
67.44400	0.5
71.01385	16.0
71.05025	0.9
72.01721	0.7
72.99310	2.0
73.02950	4.4
75.00882	0.7
78.95891	0.6
79.05524	0.8
81.03493	0.8
83.01394	1.8
83.05042	2.3
85.02968	5.4
85.45783	0.6
86.94828	0.6
87.00887	2.7
88.98804	3.8
89.02454	10.2
93.03465	1.5
95.01382	1.4
95.05019	0.7
96.96978	0.7
97.02991	1.0
97.06609	1.5
98.20614	1.3
99.00878	1.4
99.04536	4.0
99.92602	0.7
101.02453	12.3
105.01917	0.6
105.07182	0.6
107.01393	0.7
107.05040	1.9
107.40454	0.5
109.06599	6.3
110.06941	0.7
113.02473	7.5
116.92867	6.6
117.01937	0.6
119.03533	3.2
119.04993	0.9
120.01237	0.6
120.05859	1.3
121.06608	5.3
123.00877	1.8
123.04640	0.6
125.02451	4.2
131.03493	0.9
133.06599	1.7
135.04608	0.6
135.08191	1.1
137.02441	0.7
143.03500	1.1
147.08150	0.8
149.09625	0.8
151.00374	1.2
151.47769	0.6
153.09181	1.4
161.04556	2.1
161.13359	1.3
163.07640	0.9
163.11287	1.4
163.35361	0.7
165.01889	0.6
165.12857	4.5
169.01491	3.4
176.29861	0.5
179.05591	1.6
187.11359	2.8
189.09198	0.8
189.12808	5.2
191.10771	2.6
195.06616	1.9
205.12328	4.4
207.10292	1.7
207.13916	39.4
208.14278	2.8
209.11832	12.8
210.12173	1.6
223.13379	1.7
225.07745	1.0
225.15016	3.9
225.18710	0.6
227.12878	4.0
233.11789	2.8
249.11150	0.7
251.12857	11.2
253.09264	0.8
267.12375	1.3
269.13922	48.2
270.14200	3.6
285.03946	1.7
286.04214	0.7
287.14993	6.3
293.13892	2.1
297.11914	2.9
311.14993	3.8
327.08682	3.8
341.16153	5.2
341.23151	2.1
357.26486	2.7
371.17114	25.3
372.17545	3.1
399.28027	0.7
401.23029	0.7
431.19232	39.1
432.19498	4.7
437.19128	0.5
449.20264	1.9
457.25986	0.7
505.33731	2.1
517.84564	0.7
528.50153	0.6
574.31702	0.9
575.23212	5.7
577.32330	0.8
578.86591	0.6
619.30579	1.4
637.32257	100.0
638.32727	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	635.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83032	0.3
56.73309	0.3
56.86250	0.3
59.01375	0.9
61.98830	9.6
71.67583	0.5
78.95887	0.6
84.26736	0.3
101.02432	0.3
119.05040	0.9
121.03000	1.7
128.06624	0.3
138.47462	0.3
145.02942	1.6
162.83934	1.1
164.83644	0.7
180.00737	0.3
209.11778	0.4
291.19772	0.3
423.32739	0.7
471.34769	100.0
472.35114	21.3
472.42151	0.6
473.35403	2.4
497.32867	0.6
617.38739	2.5
618.39105	0.5
635.27075	1.2
635.39484	4.8
636.17224	0.4
636.39746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04435	0.2
58.02977	10.6
59.01384	1.6
61.98830	0.8
63.15499	0.2
63.56944	0.3
70.02983	4.3
71.01381	1.7
72.00912	2.8
72.99336	0.5
73.02978	0.3
74.99054	0.3
78.95899	0.4
83.83250	0.3
85.02954	0.5
87.00925	0.5
88.98789	0.6
89.02483	1.1
91.05536	2.7
93.03511	0.5
96.96016	0.9
97.02996	0.4
99.00969	0.3
100.18524	0.3
101.02462	0.9
106.80222	0.3
107.01402	0.9
111.00965	0.3
113.02489	0.8
116.92890	1.3
119.05026	0.4
121.02974	0.8
122.03777	0.3
123.00906	1.1
123.04466	0.3
125.02470	6.8
126.02818	2.3
131.03503	0.5
135.04529	0.4
137.02480	0.7
139.00436	0.6
147.04547	18.6
148.04898	1.1
149.02518	0.4
150.03201	1.8
151.00356	0.6
151.03799	0.4
161.02617	0.3
162.09268	0.4
164.07196	52.6
165.01979	2.0
165.05618	2.0
165.07521	2.7
166.02370	0.6
166.05939	0.8
168.00652	0.6
169.01457	9.4
170.01781	3.2
171.01866	0.4
177.01958	0.4
180.04292	1.3
181.04712	0.8
191.05528	0.3
193.01413	0.8
194.01770	0.6
195.06650	3.5
196.06956	1.3
203.03532	0.3
206.08243	100.0
207.08586	6.2
211.02527	1.6
212.02722	0.6
229.99915	0.4
249.03909	0.5
250.07243	1.3
271.04556	0.8
272.04916	0.5
275.01996	0.3
300.99918	0.8
313.05621	1.1
314.05911	0.8
332.07101	0.3
356.37360	0.3
392.14365	0.3
401.88043	0.3
424.05823	0.8
465.06311	0.3
466.06924	1.9
484.07925	0.9
539.27075	0.3
636.09290	9.4
637.09686	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	637.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03440	1.8
58.00575	1.1
59.01381	12.9
61.98833	11.3
65.03965	3.1
69.03446	2.0
71.01388	12.7
71.70525	0.6
72.99303	1.6
73.02948	2.4
75.00851	0.6
78.95887	0.7
79.05549	0.6
81.03465	1.3
83.01395	1.9
83.05010	1.6
85.02951	4.1
87.00884	4.5
88.98766	0.5
89.02459	4.9
91.05539	1.5
93.03446	0.6
95.01351	0.8
95.05036	1.3
96.96064	0.5
97.02982	1.3
97.06589	2.4
98.44119	0.5
99.00886	1.2
101.02454	9.1
105.07099	1.0
107.05024	1.0
109.02961	0.6
109.06608	2.1
111.00863	0.8
111.08172	1.0
113.02471	5.9
115.05544	1.7
115.92077	2.1
116.92870	0.5
117.07091	0.8
119.03497	1.8
123.08186	1.0
125.02464	0.9
125.09743	9.6
131.05095	0.5
133.06554	0.5
135.08176	1.6
145.05074	2.5
149.09703	0.6
153.01915	0.6
157.10156	0.5
161.04597	2.4
163.11305	1.5
171.10265	1.7
181.12415	0.6
185.10258	0.6
185.11819	3.6
187.09743	1.3
187.14920	4.5
189.12744	0.6
191.10802	0.7
191.85719	0.5
195.11839	1.2
201.12958	0.8
203.14438	1.3
205.12328	1.0
207.10266	2.8
209.11842	11.3
210.12183	0.8
211.13390	1.9
213.12872	5.8
215.10785	0.5
221.15488	1.2
225.11319	1.4
227.14296	0.7
227.88324	0.5
231.13907	12.6
232.14185	1.2
233.11855	2.5
233.15294	0.5
235.08200	2.9
235.13408	0.7
245.15479	0.6
247.13371	0.9
249.14990	2.5
253.09222	1.7
261.14893	1.4
262.82739	0.5
263.16422	0.6
321.22208	1.0
329.24716	1.1
339.23395	2.9
349.20251	0.7
355.22690	1.2
357.24411	1.6
365.21457	2.4
373.23819	3.0
383.22256	15.9
384.22556	2.0
391.24875	1.4
401.23343	15.0
402.23679	1.7
419.24402	3.6
420.25098	0.6
445.21118	0.8
445.31815	1.3
489.35468	0.6
493.28580	0.5
517.31903	0.9
567.27942	0.7
577.36652	0.6
593.30695	0.6
609.33020	1.4
619.31342	100.0
620.31665	20.1
637.32404	27.0
638.32825	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	635.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12306	0.4
59.01375	1.8
61.74179	0.5
61.98827	9.6
71.04379	0.5
71.04710	0.9
75.00885	0.5
78.95928	0.7
83.17765	0.4
93.03506	0.5
100.91810	0.4
117.03476	6.1
118.03812	0.6
119.05045	19.3
120.05374	1.1
121.02969	60.3
122.03325	2.5
125.95895	0.5
145.02972	34.0
146.03322	2.1
150.04384	0.4
152.99672	0.5
162.83897	0.9
163.04030	2.5
164.83601	0.4
181.05067	0.7
192.94310	0.5
453.33682	8.9
453.39487	0.7
454.34021	1.8
471.34799	18.7
472.35251	4.2
473.35303	0.6
473.71820	0.5
497.32684	14.4
498.32941	3.0
513.35895	3.0
617.38580	78.9
618.38916	21.5
635.39630	100.0
636.39954	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	635.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
61.98832	2.3
62.42777	0.3
70.94834	0.6
70.95205	0.6
73.02985	0.2
74.23232	0.2
78.33265	0.2
78.95891	0.5
96.96035	0.3
97.37289	0.3
97.93946	0.3
99.92570	0.5
116.92866	4.4
117.03484	22.6
117.92875	1.8
118.03815	0.7
118.92732	0.3
119.05038	5.7
120.05370	0.3
121.02982	1.5
123.04515	0.5
125.09727	0.3
133.02921	0.5
145.02972	79.8
146.03305	3.2
152.99606	0.5
162.03206	0.4
163.04097	1.6
275.08884	0.3
425.34305	0.5
471.34723	1.2
515.33478	0.6
547.91321	0.3
591.40533	0.7
635.39679	100.0
636.39972	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	5.1
71.72337	0.3
78.95911	0.7
96.60940	0.3
98.28677	0.3
117.03425	0.3
119.05031	0.5
145.02980	0.4
158.41464	0.3
162.83946	4.7
163.04150	0.5
163.84013	0.4
164.83653	3.7
168.48729	0.3
331.19009	0.3
349.29904	0.4
404.70724	0.3
471.34790	100.0
472.35117	22.5
472.41965	0.8
473.35492	4.2
635.18658	2.0
635.28918	2.1
635.39056	0.9
636.18457	1.3
636.28540	0.6
636.39435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89910	0.3
54.84182	0.3
59.01379	1.8
61.98831	10.4
62.19761	0.3
62.74002	0.3
63.56191	0.3
69.59468	0.2
69.59766	2.9
78.95915	0.6
80.06248	0.3
86.18826	0.3
102.65028	0.3
116.92860	0.4
117.02711	0.5
117.03476	5.7
118.03799	0.5
119.05044	17.7
120.05359	0.7
121.02971	70.6
122.03326	2.1
142.65228	0.3
145.02972	35.3
146.03310	2.4
147.03395	0.5
152.99545	0.4
162.03264	0.4
162.83897	0.5
163.04039	2.4
164.83641	0.6
169.01401	0.4
181.05139	0.3
197.57419	0.3
209.17256	0.3
211.60963	0.3
219.08975	0.3
222.30415	0.3
255.23221	0.3
298.71521	0.3
352.40601	0.4
403.92908	0.3
434.64340	0.3
437.34171	0.3
453.27213	0.4
453.33740	7.6
454.33832	1.6
455.31696	0.3
465.07233	0.3
471.34805	3.1
472.35220	0.4
497.32666	11.9
498.32852	1.8
507.26022	0.3
513.35474	2.6
514.35706	0.5
617.38611	75.5
618.38922	18.4
635.39606	100.0
636.39966	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	635.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
57.03429	0.4
59.01382	5.0
61.98830	4.4
65.00311	0.3
67.01878	0.5
68.99825	0.3
69.03448	0.6
69.92822	1.0
69.93230	0.4
71.01388	3.5
72.99306	0.6
73.02953	1.8
75.00862	0.3
79.01897	0.8
81.03472	0.3
83.01389	1.4
85.02966	2.0
86.02497	0.3
87.00896	0.5
88.98808	0.8
89.02433	1.2
95.01398	2.0
96.96024	3.1
96.96977	0.3
97.02970	0.7
99.00890	0.5
101.02459	2.7
107.01395	2.7
108.35217	0.2
109.02968	0.3
110.00136	0.3
111.00922	2.2
111.04507	0.3
113.02478	1.5
116.92898	0.7
119.03461	0.3
121.02930	0.4
123.00903	12.1
124.01630	0.8
124.07705	0.3
125.02463	12.8
126.02770	0.5
127.00358	0.6
135.04514	0.3
136.40747	0.2
136.98843	1.0
137.02457	1.1
137.97058	0.2
139.00394	3.4
139.04054	0.3
140.01201	2.7
141.01964	1.5
142.01038	0.2
143.03510	0.5
145.02942	0.3
149.25012	0.2
151.00392	5.1
151.03976	0.4
153.01895	0.6
154.99887	0.3
159.04465	0.2
160.04054	0.5
161.04491	0.3
163.04077	0.4
165.01941	3.0
165.05597	0.3
166.02310	0.7
166.99860	0.2
167.02283	0.3
167.03557	0.3
168.00687	1.6
169.01445	12.5
170.01764	0.4
179.03471	0.5
180.04294	1.3
181.04822	0.8
195.06595	2.2
196.06982	0.7
197.07091	0.7
210.05305	0.4
211.02505	0.4
225.07724	2.0
226.08029	1.1
227.08189	0.7
227.12900	0.7
257.21100	0.3
271.04553	0.3
285.03998	0.7
288.72641	0.3
302.23428	0.3
313.05795	1.2
325.11194	0.4
327.21695	0.5
362.12195	0.3
435.57343	0.3
518.18958	0.3
546.71313	0.3
599.10291	0.8
635.30890	100.0
636.30261	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	635.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
57.03431	0.9
59.01382	9.6
60.99286	0.4
61.98835	8.4
65.00333	0.3
67.01905	0.7
69.03461	0.4
69.74545	0.3
71.01031	0.4
71.01389	5.4
71.76392	0.7
72.99298	1.0
73.02949	1.5
74.99086	0.3
75.07698	0.3
79.01896	1.1
80.25551	0.3
83.01401	1.8
85.02975	3.0
87.00883	0.9
88.98825	1.6
89.02457	3.0
93.03468	0.7
94.16768	0.3
95.01413	1.7
95.01897	0.3
96.96017	1.6
97.02931	0.9
97.06580	0.6
99.00864	0.8
99.04505	0.5
99.92604	0.5
101.02464	2.6
107.01421	3.0
108.02257	0.3
109.02948	0.7
111.00906	2.5
112.98594	0.4
113.02462	2.0
115.92097	0.6
116.92880	1.9
119.03470	0.8
119.04975	0.3
121.45778	0.3
123.00904	12.4
123.04516	0.4
124.01637	1.0
125.02467	14.8
125.53536	0.4
126.02776	0.7
127.00400	0.5
133.03033	0.3
135.04498	0.4
136.98824	1.3
137.02426	0.6
138.02458	0.3
138.62653	0.3
139.00388	3.6
139.04045	0.3
139.07672	0.7
140.01199	3.2
141.01939	1.5
143.03548	0.4
144.04454	0.4
145.02927	0.4
149.02457	0.3
150.03210	0.4
151.00394	6.4
151.03889	0.3
153.01942	0.9
159.02980	0.4
161.04549	0.5
163.03954	0.4
165.01898	0.5
165.05560	0.7
168.00638	2.7
169.01443	15.4
170.01749	0.6
177.02046	0.4
177.04057	0.4
179.03503	0.4
179.05594	0.5
181.05002	0.7
186.49179	0.3
193.01401	0.4
195.06635	0.6
205.05156	0.3
209.11766	1.7
211.02414	0.7
211.13290	0.6
221.11801	0.3
227.12901	1.9
229.14461	0.4
241.14420	0.5
250.18076	0.3
259.80063	0.3
282.64386	0.3
283.02283	0.3
285.03836	0.4
313.05557	1.0
318.13519	0.5
325.11453	2.5
327.21713	4.1
328.22205	0.5
357.13541	0.4
367.83487	0.3
385.18637	1.1
403.19525	0.7
421.24106	0.3
445.20798	0.8
483.18823	2.2
572.27148	1.7
609.91486	0.4
617.31451	0.5
635.20306	7.9
635.30847	100.0
636.20648	1.9
636.31104	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	635.142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17004	0.1
54.46069	0.1
57.03472	0.2
59.01382	4.8
60.99305	0.1
61.98832	3.3
63.02391	0.6
65.00327	0.4
69.03454	0.2
71.01385	1.5
73.02956	0.7
74.54693	0.1
75.00880	0.2
78.95908	0.1
79.01900	0.1
83.01399	0.9
83.05007	0.3
85.02964	0.4
87.00886	0.4
88.98817	0.9
89.02458	0.6
91.01913	0.6
92.55610	0.1
93.03471	2.0
95.01427	0.2
97.02951	0.1
99.00927	0.2
101.02455	1.1
107.01406	2.0
107.05038	0.1
109.02968	1.0
110.73753	0.1
113.02455	0.9
116.92866	0.4
117.03462	0.9
119.01360	0.3
119.03550	0.2
119.05054	0.7
120.99717	0.1
121.02970	0.2
121.06652	0.1
123.00896	0.3
124.01684	0.1
125.02457	0.5
130.04308	0.2
131.03520	0.2
131.05037	0.3
133.03015	0.2
135.00877	1.1
135.04504	0.1
137.02449	0.4
138.06871	0.2
141.07112	0.2
143.03465	0.1
143.05051	1.4
145.02966	2.0
145.06636	0.3
149.04593	0.2
151.00391	1.2
151.07701	0.2
152.08435	0.2
153.01936	0.6
153.09241	1.0
154.04250	0.3
155.05037	0.4
156.05824	0.2
157.06595	1.0
159.04529	1.6
161.04543	0.4
161.09726	0.4
161.13348	0.3
163.00392	2.2
163.04083	0.4
163.11267	0.2
164.01024	0.2
165.01929	0.5
167.05046	0.5
169.01526	0.6
169.02750	0.1
169.06676	0.8
171.04517	1.0
173.02426	0.2
173.06108	0.2
174.03174	0.2
177.01981	0.1
179.05574	0.1
182.03813	0.2
183.04504	1.0
184.05190	0.3
185.06105	3.0
186.06416	0.3
187.04027	3.8
187.05721	0.2
187.09760	0.2
187.11317	0.5
188.04362	0.3
189.05559	1.2
189.09233	0.3
190.99936	0.1
191.03561	0.2
195.04564	0.9
196.05257	0.2
197.06068	1.2
198.03232	0.3
199.03989	1.0
201.05574	0.9
205.12334	1.1
207.10336	0.4
209.11836	0.1
211.04022	2.2
212.04727	0.4
213.05588	2.4
214.02730	0.5
215.03499	0.4
223.04076	0.3
223.13393	1.9
224.13818	0.1
226.02684	0.2
227.03513	5.9
228.03946	0.5
229.05061	13.3
230.05363	1.0
239.03493	1.9
240.04272	0.8
241.05037	1.7
242.05270	0.1
243.03059	0.4
249.11221	0.2
255.02979	7.1
256.03632	1.6
257.04544	7.0
257.07285	0.2
258.04898	0.5
265.14484	0.2
267.02951	1.4
267.12387	0.5
268.12778	0.1
283.02481	1.7
284.03256	5.0
285.04037	100.0
286.04379	9.2
349.09424	0.3
367.17706	1.4
369.15527	0.6
385.18600	0.3
411.07358	0.1
427.19839	0.5
429.17511	0.7
471.09262	1.1
489.10406	3.1
490.10849	0.3
503.32016	0.2
635.14398	3.4
635.30341	3.6
636.14099	0.9
636.30597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30364	0.3
54.00236	0.3
55.41338	0.3
57.03450	0.6
59.01382	5.5
59.03394	0.3
61.98831	3.0
63.02397	1.0
65.00330	1.4
69.86067	0.3
73.02959	0.7
76.96194	0.3
83.01388	1.3
83.05024	0.3
85.02958	0.7
88.98820	0.5
89.02460	0.9
93.03476	1.2
101.02473	0.9
107.01405	3.3
108.02221	0.5
109.02940	0.6
113.02438	0.9
116.92878	0.5
117.03478	3.3
119.05051	2.6
121.03030	0.3
123.00941	0.3
125.02454	0.7
132.02213	1.5
135.00920	1.6
141.07111	0.3
143.05043	1.0
145.02983	9.5
151.00378	5.4
152.08511	0.4
153.01950	0.7
153.09190	0.9
155.05035	0.5
157.06635	0.6
161.04623	0.4
161.09689	0.6
163.00343	2.4
163.04022	1.6
163.11330	0.4
164.01158	0.8
167.04984	0.3
169.01447	0.8
169.06566	0.6
171.04526	0.7
178.99907	0.5
179.10789	0.5
183.04494	1.2
184.05176	0.3
185.02455	0.6
185.06105	1.7
187.04033	2.7
187.11319	1.4
189.05540	0.9
189.09187	0.5
195.04506	1.1
197.06180	0.7
199.04025	1.5
200.04774	1.0
201.05618	0.4
201.51721	0.3
205.12408	1.0
207.10225	0.6
209.11876	0.4
211.03963	3.4
212.04700	1.0
213.05553	1.9
215.03528	0.4
223.13376	1.4
227.03513	45.3
228.03867	4.0
229.05060	8.2
230.05394	0.8
239.03532	1.6
240.04199	0.7
241.05017	1.2
255.02982	81.5
256.03604	15.9
257.04486	6.6
267.02960	0.9
267.12372	1.2
283.02563	1.5
284.03259	97.2
285.04001	75.5
286.04419	5.8
289.07291	0.3
302.68405	0.3
327.05081	0.5
349.09354	1.5
369.15424	2.1
429.08218	0.6
429.17603	1.7
430.17880	0.3
471.09476	0.4
486.07144	0.4
489.10233	4.0
490.10663	0.4
575.12402	1.4
635.14185	100.0
635.31158	4.8
636.14490	20.7
636.31390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88686	0.1
52.63058	0.1
57.03463	0.6
59.01379	4.2
61.98830	1.1
63.02402	0.5
65.00331	0.3
65.03956	0.1
69.55018	1.1
71.01400	1.4
71.05019	0.1
72.81369	0.1
72.99306	0.2
73.02947	0.7
73.35211	0.1
79.01904	0.3
83.01385	1.0
83.05042	0.3
83.64791	0.1
84.29956	0.1
85.02958	0.5
87.00880	0.3
88.98830	0.1
89.02449	0.8
91.01908	0.5
93.03465	2.0
95.01402	0.3
97.02882	0.1
101.02480	0.9
107.01404	1.7
109.02972	1.1
113.02467	0.8
116.92876	0.3
117.03481	1.0
119.01385	0.2
119.03537	0.2
119.05053	0.5
123.00899	0.6
125.02464	0.6
126.90486	0.2
129.07193	0.1
130.04251	0.2
130.15807	0.1
131.03455	0.1
131.05020	0.3
132.02197	0.2
135.00897	1.3
137.02484	0.3
139.00409	0.2
141.07101	0.4
143.05043	1.5
143.43304	0.1
145.02975	1.4
145.06631	0.3
151.00378	1.3
151.07689	0.2
152.08450	0.2
153.01967	0.5
153.09282	0.7
154.04268	0.4
155.05026	0.3
156.05833	0.3
157.06648	0.8
158.03818	0.2
159.04543	1.8
161.02466	0.3
161.04552	0.4
161.09746	0.5
161.13383	0.2
162.99144	0.2
163.00403	2.5
163.04019	0.3
163.11284	0.5
164.01085	0.2
165.01906	0.3
167.05000	0.8
169.01418	0.5
169.06653	1.0
169.93642	0.1
171.04523	0.8
173.02417	0.2
173.06123	0.3
182.03813	0.2
183.04524	0.9
184.05266	0.4
185.06082	2.9
186.06351	0.2
187.04018	3.2
187.11322	0.8
188.04391	0.3
189.05568	1.1
189.09215	0.4
190.99873	0.2
195.04596	0.7
196.05183	0.3
197.06075	1.2
198.03203	0.3
199.03969	1.0
201.05634	0.9
205.12326	1.2
207.10249	1.1
209.11934	0.2
211.04002	2.2
212.04695	0.4
213.05565	2.0
214.02678	0.3
215.03528	0.3
217.05043	0.1
223.04039	0.3
223.13385	2.0
224.04747	0.2
224.13664	0.2
227.03499	5.5
228.03787	0.6
229.05054	13.3
230.05434	1.0
239.03468	1.7
240.04265	0.9
241.05028	1.5
242.05370	0.2
243.03096	0.3
249.11278	0.5
255.02985	8.3
256.03650	1.6
257.04532	6.9
258.04828	0.6
267.02939	1.2
267.12375	1.9
268.03607	0.2
268.12552	0.2
283.02451	2.2
284.03244	6.9
285.04031	100.0
286.04373	9.7
297.11807	0.3
301.00400	0.1
309.13406	0.2
339.14517	0.3
349.09338	0.3
367.17645	0.6
369.15463	1.2
385.18555	0.3
411.07193	0.3
427.19647	0.2
429.17606	1.4
430.17850	0.1
443.39365	0.1
471.09381	0.5
489.10333	3.1
490.10544	0.6
503.32254	0.2
573.29071	0.2
575.12036	0.6
635.14124	5.3
635.30878	6.9
636.15027	0.9
636.31342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
58.02987	1.9
59.01381	1.8
61.69629	0.6
61.98830	0.8
69.03445	1.3
69.58110	4.6
69.58522	1.3
70.02973	1.0
71.01395	2.9
72.99320	0.8
73.02985	0.7
81.03446	0.7
85.02973	1.2
87.00877	1.1
91.05559	0.7
95.01385	2.4
97.02935	1.1
101.02455	2.3
105.23316	0.6
107.01395	6.7
109.02999	0.8
110.00042	0.7
111.00881	2.2
113.02468	0.9
116.92874	1.1
119.05003	0.7
121.02954	1.3
122.03699	0.9
123.00899	8.3
124.01686	2.1
125.02460	76.4
126.02787	2.5
136.98839	1.5
137.02457	2.8
139.00418	2.7
139.04065	1.0
140.01155	3.8
141.02028	0.9
143.03583	0.8
147.04497	3.3
149.02489	2.5
150.03229	5.3
151.00385	5.1
153.01981	0.9
161.02429	1.0
163.04088	1.0
164.07178	11.3
165.01949	11.6
165.05574	9.3
166.02544	0.8
166.99818	1.6
167.03496	1.9
168.00656	9.6
169.01440	100.0
170.01816	3.7
177.02020	0.6
179.03476	1.4
180.04291	5.2
181.01422	3.0
181.04953	0.9
191.03502	1.6
193.01401	12.6
195.06641	18.3
205.01482	0.7
206.08223	16.9
207.03041	1.5
211.02480	22.6
212.02892	1.5
212.22327	0.6
221.04636	3.1
235.02493	2.8
241.03535	2.9
243.08760	1.7
249.82520	0.7
253.03537	2.2
271.04581	12.3
272.05002	0.7
295.04599	3.0
297.06067	0.8
313.05612	14.0
314.05994	0.9
331.06644	2.9
343.11841	1.6
423.05676	11.2
424.06122	2.3
439.08978	1.5
439.16162	0.9
465.06589	8.1
466.07327	1.2
483.07703	9.3
549.84271	0.8
591.10095	1.7
615.40094	0.7
617.07715	1.1
635.08997	90.6
636.09253	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	635.0901
Annotation	1,2,6-tri-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01392	0.7
67.01884	0.8
69.03445	0.7
69.58632	1.3
69.59058	1.8
71.01392	4.4
73.02956	0.5
79.01933	0.4
81.03477	0.5
81.23338	0.4
83.01395	0.8
83.16453	0.3
83.83100	0.4
85.02969	1.5
86.14114	0.3
93.03500	0.4
95.01411	1.5
97.02970	1.1
101.02446	1.8
107.01400	6.9
111.00912	1.4
111.04627	0.4
113.02462	1.4
116.92889	0.8
121.02998	0.5
123.00898	7.8
124.01714	1.1
125.02465	51.9
126.02810	1.5
136.66772	0.3
136.98843	0.6
137.02493	1.1
138.03159	0.4
139.00421	2.2
140.01193	2.6
141.01926	0.8
147.04478	0.7
149.02501	1.0
151.00401	4.9
151.04060	0.6
153.02023	0.9
163.03979	0.4
165.01935	1.1
166.02777	0.5
166.99905	1.6
167.03511	1.4
168.00662	4.7
169.01450	67.3
170.01817	3.0
179.03517	0.9
180.04338	0.4
181.01482	0.5
183.03152	0.3
191.03525	0.5
193.01440	4.8
195.06703	0.6
206.08305	0.9
207.03050	0.6
211.02518	5.9
211.04372	0.7
223.02573	1.6
235.02728	0.4
237.04103	0.4
241.03575	1.6
253.03612	1.0
260.23697	0.4
271.04581	1.2
295.04657	1.4
297.06085	2.2
313.05630	23.6
314.05896	1.8
465.06732	100.0
466.07047	13.1
483.07587	1.5
635.08679	4.8
636.09613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0904
Annotation	Gallotannin
Peak:m/z	Relative Intensity
52.54632	0.5
53.60271	0.5
56.40937	0.4
59.01366	0.9
61.98829	0.6
67.01904	0.6
69.03467	1.4
71.01394	1.8
72.99326	0.4
73.02938	0.5
81.03500	1.1
83.01408	0.6
85.02960	1.6
87.00879	0.5
87.93066	0.4
89.54476	0.6
91.86240	0.5
95.01390	1.8
97.02966	1.6
99.00838	0.6
101.02445	1.9
107.01401	6.8
109.02943	0.4
111.00876	1.9
112.01709	0.4
113.02479	1.4
116.92864	5.0
120.31179	0.5
121.02959	0.7
123.00906	4.7
124.01679	1.5
125.02466	76.9
126.02823	2.7
127.00388	0.6
136.98848	0.7
137.02449	1.4
138.03290	0.6
139.00439	2.5
140.01172	2.2
141.01904	1.0
143.03531	0.8
149.02502	0.8
150.03261	0.8
151.00360	3.3
153.02017	0.5
154.99904	0.6
155.03670	0.5
163.04004	0.6
165.01939	1.7
165.05682	2.2
166.99921	1.4
167.03557	0.8
168.00656	6.1
169.01445	100.0
170.01775	5.2
179.03497	1.0
181.01453	1.8
183.03087	0.5
191.03665	0.6
193.01453	6.3
195.06621	2.0
207.03036	1.1
211.02490	13.7
212.02708	1.2
223.02431	1.1
229.44783	0.4
235.02473	1.7
241.03584	2.0
253.03499	1.4
270.66486	0.4
271.04575	6.3
272.17883	0.5
295.04550	3.9
296.04614	0.5
313.05673	8.9
314.06046	0.9
331.06769	0.9
423.05536	3.8
465.06775	12.2
466.07172	2.2
483.07828	10.1
484.08014	0.9
635.09015	72.5
636.09332	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	634.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15966	0.1
55.88280	0.1
57.17249	0.1
59.01380	2.4
60.01729	0.1
61.98832	100.0
62.98543	0.2
67.01904	0.1
71.01394	0.8
72.99319	0.2
73.02959	0.4
74.99110	0.1
83.01408	0.2
85.03001	0.2
88.98822	0.6
89.02471	0.5
94.98091	0.2
95.01394	0.1
96.96027	1.6
97.03001	0.1
99.04565	0.2
99.92596	0.3
101.02431	0.7
108.02201	0.1
109.02981	0.2
109.06564	0.2
111.00910	0.1
113.02471	0.2
115.92117	0.4
116.92874	0.9
123.00908	0.4
125.02480	0.9
127.23727	0.1
137.02495	0.4
139.04047	0.1
140.08028	0.1
150.03288	0.2
151.00418	0.2
151.04082	0.1
153.01974	0.2
161.04578	0.2
163.04099	0.1
165.01955	2.1
165.05618	0.3
166.02280	0.6
166.06230	0.2
167.03551	0.1
168.00719	0.1
169.01428	0.7
179.03532	0.3
180.04286	1.4
181.03214	0.1
181.04785	0.6
181.08778	0.1
195.06644	1.8
196.07059	0.7
209.11823	0.2
210.05380	0.2
211.09837	0.3
213.05817	0.1
225.07684	1.6
226.08099	0.8
227.12943	0.4
228.13264	0.2
229.05037	0.1
285.04034	0.6
286.30188	0.1
325.11514	0.2
327.22003	0.2
373.12997	0.2
374.13434	0.1
539.21271	0.6
544.25146	0.2
545.79388	0.1
571.23749	0.6
586.23981	0.5
634.33850	1.1
635.33716	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	635.0904
Annotation	1,2,6-tri-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01382	0.8
61.98837	0.8
67.01907	0.4
69.03461	1.0
70.48676	1.5
70.49032	0.4
71.01386	3.0
72.99307	0.6
79.01920	0.5
81.03466	0.9
81.04485	0.4
83.01421	0.8
85.02946	1.3
87.00888	0.6
95.01400	1.8
97.02973	2.3
101.02442	2.4
107.01405	6.4
107.05050	0.5
111.00897	1.4
113.02463	2.4
123.00892	6.7
124.01687	1.3
125.02464	71.8
126.02831	2.6
136.98909	0.5
137.02487	1.0
139.00407	1.8
140.01183	2.2
141.01968	0.9
145.03040	0.6
149.02423	0.5
151.00372	5.0
151.04068	0.5
153.01949	0.5
161.02419	1.3
165.01942	1.2
165.05615	0.9
166.99860	1.5
167.03479	1.4
168.00661	4.6
169.01439	100.0
170.01768	3.8
171.04558	0.7
177.02019	0.5
179.03543	1.7
180.04259	0.5
181.01454	1.1
189.05615	1.4
191.03543	1.1
193.01453	4.5
195.06625	1.0
199.68552	0.4
203.03496	0.6
205.01532	0.4
207.02965	0.9
211.02480	8.7
212.02795	0.6
221.04625	0.6
223.02399	1.0
229.01717	0.6
235.02426	0.7
241.03554	1.0
253.03447	1.0
257.00867	0.7
259.01462	0.5
271.04578	5.3
272.04907	0.6
275.01944	0.9
276.02289	0.5
277.02722	0.5
295.04544	3.6
297.06219	0.4
300.99924	6.1
302.00223	4.4
303.00388	4.3
313.05661	13.3
314.05905	1.3
331.06775	0.9
421.07581	1.5
423.05789	2.6
465.06720	32.0
466.06772	3.0
483.07803	9.4
484.07709	0.9
573.23682	0.5
635.08899	62.3
636.09229	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	633.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	0.4
69.48875	1.5
72.63491	0.1
74.27315	0.2
85.88631	0.2
103.49314	0.1
105.03487	0.3
117.03473	6.5
118.03757	0.2
119.05032	6.4
119.81210	0.2
120.05405	0.3
121.02946	0.6
124.70062	0.2
132.02173	0.8
133.02968	18.2
134.03828	2.2
135.04538	5.0
136.04884	0.3
137.02475	1.3
139.04025	0.5
145.02963	22.4
146.03255	1.1
161.02455	55.4
162.02791	2.8
163.04019	3.7
178.02759	0.9
179.03485	1.3
386.58536	0.2
453.33716	0.2
469.33383	0.4
487.34604	0.4
497.32529	0.4
513.32153	1.3
633.38037	100.0
634.38391	25.7
634.49323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3813
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
51.51712	0.4
57.29190	0.5
59.01372	1.1
61.98828	5.2
65.03427	0.5
69.46691	0.4
71.01365	0.5
71.71284	0.4
71.71687	0.7
78.95915	1.8
117.03479	25.9
118.03790	1.0
119.05033	6.0
125.09756	1.2
145.02968	100.0
146.03319	4.5
152.99609	0.9
162.03264	0.4
163.04037	3.8
171.10271	1.5
187.09776	0.6
187.66850	0.4
209.11876	0.8
286.90646	0.5
392.55347	0.6
469.32965	0.8
589.38940	0.5
633.38116	88.3
634.38379	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	633.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83124	0.1
61.98816	0.2
68.40914	0.1
70.64946	0.1
71.26564	0.1
89.04010	0.1
101.62009	0.1
117.03477	22.5
118.03799	0.9
119.05039	3.6
120.05385	0.2
121.02979	0.3
123.04575	0.2
145.02968	100.0
146.03304	4.8
147.04552	0.2
158.69131	0.1
162.03139	0.1
163.02686	0.2
163.04034	2.7
164.04376	0.1
396.61423	0.1
405.33383	0.1
406.07648	0.1
409.27316	0.3
423.28732	0.1
425.30542	0.4
426.31241	0.1
437.30524	0.3
439.32208	0.2
455.31644	0.6
456.31992	0.1
459.54602	0.1
467.31650	0.4
469.33231	0.7
470.33755	0.2
487.34280	0.2
513.32068	0.4
522.65021	0.1
553.47333	0.1
633.38055	69.1
634.38385	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	633.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69916	0.2
59.01383	0.4
61.98828	4.2
69.58238	1.7
71.01392	0.5
71.05026	0.5
73.02915	0.2
78.95893	0.2
98.19817	0.3
101.02465	0.7
110.26093	0.2
110.67584	0.2
113.02468	0.4
114.93557	0.2
117.03478	25.0
118.03802	1.1
119.05038	9.5
120.05337	0.4
120.30725	0.2
121.02962	1.7
123.04543	0.6
123.08055	0.2
125.09783	0.2
133.02977	0.3
145.02968	82.8
146.03313	4.0
146.04486	0.3
160.84233	4.9
161.04552	0.4
161.84308	0.4
162.03214	0.3
162.83932	8.4
163.04027	6.5
164.04385	0.3
199.36993	0.2
469.33276	0.5
471.34775	23.8
472.35135	5.1
485.32391	0.3
513.32355	0.4
571.38428	0.3
589.39056	2.2
590.39075	0.4
615.37067	1.6
616.37555	0.3
633.20111	2.5
633.38068	100.0
634.19220	5.0
634.38403	26.3
635.39215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16233	0.1
58.67465	0.1
61.98826	0.2
67.71777	0.1
87.35350	0.1
88.33392	0.1
90.89400	0.1
98.20625	0.2
99.26226	0.1
116.02718	0.1
117.03479	22.3
118.03802	0.8
119.05035	4.1
119.05891	0.2
120.05373	0.2
121.02985	0.6
123.04541	0.1
135.04558	0.5
145.02972	100.0
146.03307	5.3
162.03299	0.2
163.04033	3.1
164.04306	0.2
179.03459	0.3
230.62427	0.1
242.11395	0.1
408.55331	0.1
409.27246	0.2
424.71979	0.1
425.30588	0.4
437.30576	0.2
439.32227	0.3
455.31891	0.6
467.31802	0.6
468.31738	0.1
469.33191	0.7
470.33463	0.3
485.33038	0.1
487.34192	0.3
513.32117	0.4
571.37909	0.2
633.38074	67.9
634.38416	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	633.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.3
63.90834	0.2
88.95261	0.2
99.92599	0.7
105.03468	0.2
108.46321	0.2
116.92880	5.1
117.01969	0.2
117.03481	0.8
117.92886	0.2
119.05024	0.2
121.02972	0.5
132.02164	1.4
133.02975	23.9
134.03828	2.3
135.04550	7.0
136.04823	0.3
137.02443	2.5
137.43898	0.2
139.04024	0.7
145.02982	1.2
161.02461	74.6
162.02795	3.4
162.83963	1.8
163.04086	0.6
163.83936	0.2
164.83620	0.9
178.02721	1.4
179.03510	2.2
258.62369	0.2
270.51831	0.2
389.77621	0.2
450.41745	0.2
469.33218	10.8
470.33646	2.0
471.34393	0.9
497.32550	0.6
633.38086	100.0
634.17438	0.9
634.38428	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	633.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.3
59.07793	0.2
61.98832	0.8
69.55260	0.1
73.68707	0.1
78.95910	0.2
89.03950	0.2
105.03447	0.4
110.25186	0.1
117.03481	4.7
118.03842	0.2
119.05107	0.2
121.02983	0.4
123.04612	0.2
132.02155	1.0
133.02974	22.2
134.03857	2.4
135.04541	7.3
135.05609	0.2
136.04880	0.3
137.02469	2.1
139.04042	0.7
145.02956	0.7
161.02458	70.2
162.02792	3.5
163.04010	0.2
178.02771	0.8
179.03529	1.8
240.96283	0.2
275.60175	0.2
353.04297	0.2
433.09375	0.2
439.32285	0.2
453.33798	0.3
469.33060	0.4
471.34326	0.3
472.35309	0.2
497.32578	0.5
589.38477	0.5
633.38062	100.0
634.38409	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	633.3785
Annotation	Capuvosine
Peak:m/z	Relative Intensity
53.09124	0.3
61.98825	0.6
70.96877	0.3
72.81134	0.3
78.95912	20.9
80.02687	1.6
81.03465	2.7
83.01416	0.5
83.05034	7.8
84.02177	1.5
95.05054	1.2
96.96943	0.4
97.06668	0.4
109.06611	0.9
110.98548	14.6
125.06036	0.6
125.09710	0.6
135.08199	1.2
140.39630	0.4
149.00076	0.4
152.99582	3.1
159.11887	0.3
163.11301	6.3
164.11618	0.4
165.12854	3.5
167.01164	8.1
171.10201	0.4
181.12393	0.6
185.02246	0.8
191.10757	1.6
199.13409	1.3
209.11839	100.0
210.12180	7.6
225.11234	0.4
227.12892	26.6
228.13200	1.8
255.23286	74.7
256.23624	7.2
269.24802	3.6
270.25134	0.4
363.12299	0.9
377.13611	1.7
395.14658	0.8
405.24084	2.5
406.24484	0.7
423.25162	9.0
424.25491	0.7
550.86707	0.4
633.37830	64.2
634.38177	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	633.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.4
58.00610	0.6
59.01382	15.5
59.01665	1.0
60.82167	0.5
61.98833	36.5
65.59670	0.5
65.79292	0.5
69.03477	0.6
71.01390	12.3
71.05030	0.8
71.73928	0.5
72.99320	1.4
73.02956	3.0
75.00891	0.6
78.95917	0.5
80.02685	0.9
81.03474	1.7
83.01405	1.5
83.05038	5.4
85.02954	5.2
87.00900	3.1
87.04572	0.6
88.98830	2.4
89.02460	7.5
90.11591	0.5
93.03500	0.5
95.01408	0.8
95.05053	2.2
96.96039	1.5
97.02958	0.7
97.06606	15.5
99.00929	1.1
101.02461	10.1
109.02987	0.5
111.00924	1.0
113.02467	6.0
113.06120	0.6
116.92890	1.5
119.03527	2.1
120.99699	0.8
123.00924	0.7
123.08187	7.9
125.02449	3.1
125.09746	97.4
126.10090	4.6
126.90448	0.7
129.01958	0.5
131.03528	1.9
135.08098	0.8
137.02444	0.8
141.01935	0.6
143.03539	1.2
143.10834	1.3
145.05110	0.9
145.90981	0.5
149.04608	0.7
150.03307	0.5
151.00359	0.5
155.10815	0.8
157.01469	0.6
161.04584	3.3
163.11328	3.3
165.12794	1.8
169.01424	1.6
169.08719	2.0
171.10324	3.0
179.05638	1.5
181.12311	0.7
186.37093	0.5
187.09778	63.9
188.10172	2.8
191.10799	0.7
197.12135	0.5
199.13390	0.7
201.11301	0.9
209.11844	56.2
210.12125	3.0
225.11295	0.9
227.12897	5.6
235.08276	1.5
241.97455	0.5
243.12160	0.6
253.09259	3.4
254.66655	0.6
261.13370	1.0
297.11884	2.0
353.23343	1.5
405.17807	4.1
423.18716	14.5
424.19171	1.5
441.28738	2.4
445.20471	0.7
501.30490	1.2
571.27466	1.0
573.32416	2.2
615.30182	6.6
616.30713	1.6
633.31378	100.0
634.31653	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	633.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66721	0.6
51.13497	0.6
58.19637	0.5
59.01382	18.0
60.83196	0.6
60.99321	1.5
61.98833	19.0
64.29209	0.6
65.84869	0.5
67.01898	0.5
69.03482	0.7
69.53031	6.3
71.01389	6.8
73.02971	2.1
73.92522	0.6
74.99119	0.6
75.65536	0.7
81.03456	0.8
82.95392	0.8
83.01386	1.3
83.05057	0.7
85.02974	1.9
87.00906	1.1
88.98816	8.1
89.02446	4.6
93.03451	3.2
95.01406	2.0
95.05046	1.3
95.19646	0.8
96.96033	10.3
97.02962	1.2
98.20644	1.1
99.04517	1.0
101.02470	5.2
109.02968	1.4
111.00910	1.0
111.04575	0.9
113.02489	2.6
114.93433	0.7
115.92040	0.8
116.92870	3.0
119.03529	1.4
119.05051	0.8
121.02991	5.1
122.03770	10.5
123.00895	2.8
123.04589	1.3
124.01651	1.1
125.02457	5.4
126.90433	1.0
131.03500	0.9
133.02977	1.7
135.04517	1.2
136.01718	1.3
137.02466	5.7
137.06073	0.9
139.00392	0.7
139.04021	3.1
139.11307	1.2
145.03058	0.8
149.02467	34.9
149.06110	1.9
150.03247	77.4
151.00391	1.3
151.03960	5.4
153.01907	0.8
153.05614	3.1
155.03525	1.6
161.04562	1.3
163.04002	0.9
164.01172	0.7
164.04825	10.5
165.01959	17.1
165.05591	84.2
166.02568	1.7
166.05945	4.0
168.00662	0.9
169.01456	4.1
177.01971	1.8
177.05562	1.3
179.03499	8.1
179.07182	1.9
180.04297	15.3
181.05084	56.1
182.05589	4.2
183.10249	2.2
194.05910	2.9
195.06642	100.0
196.07405	45.4
197.08124	6.6
203.10757	0.9
205.04918	3.0
209.11812	0.8
210.05386	2.2
211.02466	1.1
211.09772	39.5
212.10121	2.5
221.11873	1.0
225.07668	13.2
227.12831	2.0
269.13715	0.8
283.05524	0.8
289.07312	1.1
297.07605	1.3
299.08969	1.2
299.99124	1.5
300.09903	1.3
300.99869	1.7
327.08914	0.8
328.09473	0.9
343.11844	5.2
359.11395	2.4
373.12936	50.0
374.13434	8.6
389.16052	12.9
390.16394	1.6
403.14178	0.9
421.15057	20.1
422.15320	2.3
422.55212	0.7
437.18100	2.7
535.23865	0.8
543.24487	7.3
544.25110	0.8
570.25977	2.2
585.23492	12.4
586.23730	2.4
632.33856	0.7
633.16711	0.7
633.33130	16.0
634.32214	2.3
654.25726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
61.98834	9.8
63.64135	0.4
65.00331	0.5
66.57739	0.4
67.01901	1.4
69.03450	1.2
71.01384	4.1
71.71050	0.7
72.99314	1.2
73.02955	0.9
79.01895	1.0
81.03442	0.6
83.01394	1.3
83.42122	0.4
85.02945	2.2
87.00890	1.2
88.98785	0.5
89.02445	1.2
95.01386	2.3
96.95998	0.6
97.02964	1.3
99.00900	0.8
101.02445	2.2
107.01400	11.4
108.01692	0.5
109.02966	2.0
111.00891	1.4
111.04556	0.6
113.02450	2.2
116.92890	0.6
121.02991	0.8
123.00895	14.9
123.04523	1.3
124.01688	2.0
125.02460	58.6
125.12713	0.5
126.02789	2.6
126.34272	0.5
127.00391	0.9
130.08722	0.8
134.03749	2.0
135.04568	2.6
136.01680	4.7
136.98828	1.9
137.02473	3.1
139.00389	3.7
139.04059	1.4
140.01205	3.1
141.01970	1.2
143.19057	0.6
145.10275	0.4
147.04547	0.6
149.02444	0.8
149.06059	0.7
149.54129	0.5
150.03282	0.6
151.00391	10.1
151.04018	4.9
152.00896	0.6
153.01947	1.0
153.05588	1.3
155.00003	0.5
161.02396	0.7
163.03976	0.5
165.01930	1.6
165.04074	1.1
165.05521	0.6
166.02675	0.7
166.99893	0.8
167.03529	2.7
168.00661	5.4
168.03864	0.4
169.01440	75.2
170.01813	4.3
177.01994	1.0
179.03510	1.2
179.05598	0.5
181.05083	0.5
181.08688	0.7
183.03014	3.6
191.03476	0.6
193.01418	1.9
195.06778	0.6
211.02452	2.9
213.05562	2.1
223.02458	0.9
241.05142	12.6
242.05774	2.4
249.04175	0.9
256.07410	9.3
257.08194	2.7
271.04828	3.1
271.09738	9.7
272.09912	0.8
275.01965	0.6
283.02200	0.8
297.06140	1.4
300.99991	4.1
301.03357	0.9
313.05643	22.8
314.05939	1.7
327.07114	1.6
331.06729	1.3
437.11179	0.7
465.05862	2.3
467.11481	1.0
481.09818	0.8
484.60452	0.5
571.20178	1.6
615.10028	0.7
633.18396	100.0
634.09808	0.8
634.18701	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	633.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16386	0.4
53.97588	0.5
59.01372	1.0
69.03453	0.5
71.01376	1.7
71.71713	0.8
85.02965	1.0
87.00877	0.5
89.02474	1.1
90.50494	0.4
94.14674	0.4
95.01401	1.7
101.02478	0.6
105.54179	0.4
107.01440	2.9
107.05071	0.4
108.02200	1.1
109.02974	1.0
113.02501	0.9
119.05071	0.7
123.00890	4.4
124.01665	0.7
125.02463	15.6
126.02800	0.5
131.05048	0.7
137.02496	0.6
139.00443	0.7
141.01852	0.5
141.03513	0.5
145.02979	1.5
147.04558	1.4
151.00320	0.7
151.03979	0.5
152.01176	0.6
153.01967	0.7
157.02979	0.8
159.04521	2.2
161.02423	1.0
163.04019	1.0
165.01961	0.7
166.43698	0.4
167.06100	0.6
168.00638	0.5
169.01451	10.9
171.09302	0.4
173.02414	2.6
175.04030	3.2
176.04385	0.5
177.01961	1.9
181.07744	1.5
185.02472	4.3
187.04001	1.2
189.01942	1.1
190.02733	0.5
190.99866	0.5
191.03508	1.7
193.01447	0.6
199.08749	1.4
201.01987	4.6
203.03505	8.8
204.03967	0.7
205.01439	0.7
211.02541	0.9
213.01920	1.8
214.02789	0.7
217.01346	1.2
219.02936	1.2
219.07881	0.4
221.04570	1.0
229.01405	9.7
230.01984	1.0
231.02994	11.5
232.03401	1.0
238.19691	0.4
243.07758	0.5
245.00885	2.8
247.02338	2.2
248.03047	0.6
249.04045	20.4
250.04337	1.6
257.00909	8.8
258.01617	4.1
261.08795	2.9
273.00345	1.6
274.01147	1.5
275.01965	39.6
275.76050	0.5
276.02271	3.3
283.99655	2.9
299.01852	0.4
299.99139	2.7
300.99908	100.0
302.00244	9.7
315.07248	1.4
316.07156	0.4
331.06754	1.1
381.13150	4.5
403.49799	0.4
419.06000	0.8
463.05197	0.8
465.06250	0.5
465.12363	0.6
481.06171	1.4
518.79529	0.4
556.73779	0.4
561.97076	0.4
633.07471	73.9
634.07831	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	633.0746
Annotation	Corilagin
Peak:m/z	Relative Intensity
59.01370	0.6
61.66615	0.5
70.13219	2.4
71.01374	1.0
85.02953	1.2
95.01385	1.4
97.02974	0.6
98.20550	0.7
107.01411	3.1
109.74340	0.5
111.00896	0.5
123.00905	5.1
124.01673	1.5
125.02468	16.1
131.05000	0.6
133.03004	1.1
135.04556	0.5
137.02470	0.6
139.00359	0.6
145.02968	1.9
147.04527	1.8
147.33769	0.5
151.04079	0.5
157.02933	0.9
158.03825	0.5
159.04533	2.7
161.02432	0.6
163.03978	1.2
165.01888	0.5
168.00720	0.7
169.01445	9.8
169.02757	0.4
170.01782	0.6
173.02481	2.1
175.04016	4.0
177.01927	2.1
185.02458	3.6
187.04005	1.6
189.01921	1.0
190.02736	1.2
191.03468	2.2
193.01472	0.8
201.01941	4.1
202.02597	0.6
203.03513	10.7
204.03847	0.8
205.01608	0.6
211.02431	0.6
213.01894	2.3
214.02711	1.0
219.02931	1.3
221.04590	1.3
226.99883	0.5
229.01419	10.9
230.01845	1.2
231.02979	14.6
232.03265	1.1
245.00822	2.5
246.01671	0.5
247.02499	1.8
248.03185	0.5
249.04042	28.4
250.04349	2.0
257.00912	9.0
258.01663	3.9
259.02106	0.6
273.00357	1.2
274.01028	1.2
275.01953	48.7
276.02353	3.3
283.99655	2.6
299.99066	2.8
300.99899	100.0
302.00256	7.5
331.06757	1.0
409.58954	0.5
419.06244	1.4
421.04169	0.5
463.05109	0.6
492.35492	0.6
633.07471	78.1
634.07782	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	633.0749
Annotation	Corilagin
Peak:m/z	Relative Intensity
59.01373	0.6
61.98824	0.7
62.62325	0.2
63.42685	0.3
65.78846	0.2
68.25160	0.2
69.03484	0.3
69.37619	2.4
69.38025	0.6
71.01385	0.9
73.19571	0.2
85.02988	0.4
87.00891	0.3
95.01406	1.0
98.20634	0.5
100.88281	0.3
107.01365	0.6
117.03496	0.4
119.05048	0.6
123.00893	2.9
124.01688	0.5
125.02464	4.1
129.03511	0.5
137.02420	0.3
140.01144	0.3
145.02960	1.4
147.04536	1.0
151.00410	0.5
157.02968	0.8
159.04494	0.9
161.02475	0.7
163.04039	0.7
165.01949	0.4
166.99908	0.5
169.01436	4.2
173.02454	1.9
174.03279	0.4
175.04019	1.8
177.01906	0.7
185.02455	3.3
187.04022	0.7
189.02002	0.7
190.02690	0.5
191.03494	0.9
193.29190	0.2
201.01926	4.0
202.02412	0.3
203.03516	3.3
209.18524	0.3
211.02473	0.6
213.01991	0.7
217.01463	0.7
219.03018	0.9
221.04504	0.3
221.08313	0.3
226.99838	0.7
229.01430	7.5
230.01921	0.5
231.03004	3.2
245.00880	2.1
247.02505	1.0
248.03163	0.3
249.04039	4.1
250.04393	0.3
253.76959	0.3
257.00912	5.8
257.03473	0.2
258.01633	1.9
259.02319	0.5
271.04575	0.4
273.00281	0.7
274.01151	0.8
275.01953	13.4
276.02319	1.3
283.99579	3.2
299.99188	2.6
300.99905	100.0
302.00253	8.8
313.05734	0.4
331.06708	0.4
352.02460	0.3
452.19748	0.3
463.05139	2.3
465.06750	0.6
566.58063	0.3
633.07477	45.0
633.97363	0.5
634.07825	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	633.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98824	0.7
62.62325	0.2
63.42685	0.3
65.78846	0.2
68.25160	0.2
69.03484	0.3
69.37619	2.4
69.38025	0.6
71.01385	0.9
73.19571	0.2
85.02988	0.4
87.00891	0.3
95.01406	1.0
98.20634	0.5
100.88281	0.3
107.01365	0.6
117.03496	0.4
119.05048	0.6
123.00893	2.9
124.01688	0.5
125.02464	4.1
129.03511	0.5
137.02420	0.3
140.01144	0.3
145.02960	1.4
147.04536	1.0
151.00410	0.5
157.02968	0.8
159.04494	0.9
161.02475	0.7
163.04039	0.7
165.01949	0.4
166.99908	0.5
169.01436	4.2
173.02454	1.9
174.03279	0.4
175.04019	1.8
177.01906	0.7
185.02455	3.3
187.04022	0.7
189.02002	0.7
190.02690	0.5
191.03494	0.9
193.29190	0.2
201.01926	4.0
202.02412	0.3
203.03516	3.3
209.18524	0.3
211.02473	0.6
213.01991	0.7
217.01463	0.7
219.03018	0.9
221.04504	0.3
221.08313	0.3
226.99838	0.7
229.01430	7.5
230.01921	0.5
231.03004	3.2
245.00880	2.1
247.02505	1.0
248.03163	0.3
249.04039	4.1
250.04393	0.3
253.76959	0.3
257.00912	5.8
257.03473	0.2
258.01633	1.9
259.02319	0.5
271.04575	0.4
273.00281	0.7
274.01151	0.8
275.01953	13.4
276.02319	1.3
283.99579	3.2
299.99188	2.6
300.99905	100.0
302.00253	8.8
313.05734	0.4
331.06708	0.4
352.02460	0.3
452.19748	0.3
463.05139	2.3
465.06750	0.6
566.58063	0.3
633.07477	45.0
633.97363	0.5
634.07825	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	632.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
55.71160	0.3
57.03459	0.7
59.01381	9.5
61.98835	17.1
65.30344	0.3
67.01895	0.7
69.03455	1.1
69.18282	0.3
71.01387	5.2
71.74447	0.3
72.99311	1.3
73.02960	1.1
75.00878	3.9
77.12798	0.3
77.25931	0.3
78.95900	0.4
79.01915	0.5
80.25827	0.3
83.01408	0.8
83.05037	0.5
85.02958	3.7
86.09196	0.3
86.77361	0.4
87.00888	0.7
88.98827	1.6
89.02460	1.9
93.03464	0.6
95.01405	1.1
96.96028	3.1
97.02959	0.9
99.00882	1.1
101.02464	3.8
107.01402	4.7
111.00221	0.3
111.00900	1.8
113.02489	1.5
116.92898	0.6
119.03537	0.8
121.02953	0.5
122.03782	0.7
123.00902	5.7
124.01749	0.4
125.02467	27.8
126.02812	1.0
127.00378	0.4
129.01965	1.5
129.72894	0.3
131.03487	0.4
136.98824	0.5
137.02483	1.1
138.46344	0.4
139.00418	1.7
139.04044	1.0
139.11314	0.8
140.01201	1.7
140.11618	0.4
141.01923	0.7
149.02466	1.4
149.04449	0.4
150.03255	5.1
151.00388	4.6
151.04002	0.8
153.01968	0.6
159.03139	1.6
159.04413	0.3
161.02452	0.4
161.04591	0.5
163.04021	0.5
164.04814	0.6
165.01953	1.7
165.05586	5.7
168.00664	2.2
169.01451	47.2
170.01749	2.4
171.25235	0.3
177.04077	19.3
178.04395	0.8
179.03450	0.5
179.07159	0.4
180.04300	1.2
181.05052	1.7
182.05763	0.4
183.10257	1.3
191.03387	0.4
195.06667	6.8
196.07361	1.3
209.11819	0.8
211.02451	2.5
211.09860	1.0
225.07727	1.3
225.11269	0.6
225.14793	0.4
227.12962	1.4
241.03555	0.4
271.04517	1.9
296.89111	0.4
311.04236	0.7
313.05753	0.7
328.13681	0.4
329.05142	4.6
330.05762	0.5
339.49762	0.4
373.12866	0.8
389.15790	0.8
421.14960	0.4
496.20627	0.4
569.26117	100.0
570.26477	18.8
585.23401	0.6
615.23920	0.6
632.34192	8.2
633.33698	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	632.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07639	0.2
57.03326	0.2
57.03562	0.3
59.01211	2.5
59.01552	2.5
61.98660	10.1
67.01733	0.5
67.02071	0.5
69.03321	0.3
69.03648	0.2
69.41007	0.6
69.41433	1.7
71.01198	2.1
71.01648	1.3
72.99174	0.4
72.99516	0.3
73.02762	0.6
74.13535	0.2
74.29008	0.2
75.00727	0.4
79.01688	0.7
79.02184	0.5
81.03275	0.3
83.01218	0.4
83.01638	0.2
85.02747	0.9
85.03295	0.4
87.00692	0.5
87.01169	0.4
88.98657	0.4
88.99132	0.2
89.02232	1.0
89.02843	0.4
95.01170	1.1
95.01826	0.4
95.04827	0.2
96.95784	0.8
97.02737	0.7
97.03336	0.4
98.20568	0.4
101.02218	1.7
101.02956	0.5
104.27338	0.2
107.01157	2.8
107.01963	0.7
109.02802	0.3
109.99939	0.3
111.00635	1.6
113.02209	1.3
116.92701	0.4
119.03337	0.3
123.00633	10.6
123.04416	0.3
124.00953	0.4
124.02254	0.3
125.02193	13.2
125.03742	0.5
126.02524	0.8
127.00194	0.4
127.01014	0.3
136.98520	1.2
137.02155	0.8
137.05763	0.3
138.03038	0.4
138.05345	0.9
139.00104	3.1
139.01257	0.3
139.03792	0.3
139.12465	0.2
140.00877	2.4
140.02045	0.3
141.01648	1.5
150.03012	0.3
151.00093	8.7
151.01443	1.1
151.03661	0.3
152.00461	0.5
153.01686	0.6
158.62070	0.2
161.02222	0.2
163.03827	0.5
165.01678	0.4
165.05392	0.4
167.03423	0.3
168.00330	2.7
169.01120	19.7
170.01471	1.1
177.03862	0.5
179.03252	0.4
182.05522	2.3
195.06413	0.4
197.08174	2.4
209.04265	0.3
209.11450	0.2
211.02487	3.9
211.89487	0.2
212.02518	0.4
213.07532	0.4
227.12608	0.6
241.03075	0.2
253.03275	0.4
271.04587	5.8
272.04556	0.5
299.99026	0.2
313.05530	1.9
314.05688	0.3
329.04892	0.6
331.06165	0.3
430.75128	0.2
569.26056	100.0
570.26367	21.2
631.33307	0.6
632.33887	12.1
633.34528	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	632.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03448	0.7
58.00589	0.3
59.01378	6.4
61.98833	15.6
65.00328	0.2
67.01891	0.8
68.21318	0.2
68.99846	0.3
69.03446	0.3
71.01382	3.7
71.70067	0.3
72.99305	0.5
73.02953	1.7
75.00884	0.5
79.01892	0.8
80.43036	0.2
81.03489	0.4
83.01401	0.8
85.02961	1.9
87.00893	0.8
88.63149	0.2
88.98799	0.6
89.02450	1.2
89.69955	0.2
95.01398	1.7
96.53176	0.2
96.96025	1.1
97.02962	0.5
99.00904	0.6
99.04559	0.3
101.02459	2.4
107.01404	3.0
109.02993	0.4
110.00110	0.3
111.00899	1.8
112.01250	0.2
113.02487	1.3
113.03229	0.2
116.92860	0.6
117.08154	0.2
119.03494	0.6
119.05055	0.4
123.00904	13.9
123.04486	0.3
124.01663	0.9
125.02466	15.8
126.02798	1.1
127.00388	0.8
136.98845	1.3
137.02496	0.7
139.00398	3.4
139.04019	0.3
140.01183	2.7
141.01976	1.9
145.02992	0.5
146.03345	0.3
149.02426	0.3
150.03206	0.9
151.00389	10.3
151.03897	0.3
152.00793	0.9
153.01926	0.7
154.99884	0.4
163.04041	1.0
165.01941	0.5
165.05563	0.9
166.02586	0.4
168.00659	3.7
169.01443	20.6
170.01770	1.4
178.06329	0.3
179.03513	0.6
179.07167	0.3
180.04225	0.5
181.05052	0.7
183.10306	0.3
193.05063	0.3
195.06590	0.9
196.07303	0.5
197.08221	0.3
205.05168	0.2
209.11861	0.3
211.02478	5.0
211.09756	0.6
212.02739	0.4
225.07787	0.2
227.03511	0.9
227.12888	0.5
241.03479	0.2
253.03374	0.3
255.02927	1.4
256.03415	1.2
257.03894	0.3
271.04565	5.5
272.04941	0.4
284.03235	1.7
285.03848	3.3
286.04346	2.0
287.04608	0.4
287.14932	0.3
297.11856	0.5
300.99817	0.3
313.05597	1.8
373.13101	0.7
522.34131	0.3
536.16455	0.3
569.26068	100.0
570.26410	20.7
594.04572	0.4
594.13367	4.7
595.13416	0.8
596.14099	0.6
631.33075	0.4
632.33936	15.0
633.22675	0.5
633.33563	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	632.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68242	0.1
59.01377	2.4
61.98833	100.0
65.35257	0.1
69.49586	1.0
69.49996	0.2
71.01401	0.5
73.02963	0.2
83.01446	0.1
85.02999	0.2
88.98817	0.3
89.02468	0.2
96.96043	0.3
101.02477	0.3
113.02457	0.2
121.03017	0.2
123.00894	0.2
125.02480	0.5
135.04422	0.2
135.30835	0.1
135.45326	0.1
137.02504	0.2
139.04184	0.1
149.02441	0.1
150.03281	0.4
151.00377	0.3
151.07664	0.1
153.02019	0.2
161.02489	0.2
163.06111	0.3
164.04900	0.2
165.01952	1.7
165.05627	0.5
166.02754	0.3
166.06384	0.9
169.01430	0.7
170.01779	0.1
176.04845	0.1
177.05565	0.2
179.03575	0.8
179.07248	0.1
180.04306	1.2
181.05040	0.7
181.08754	0.4
182.05482	0.2
194.05856	0.6
195.06635	1.9
196.06830	0.1
209.08226	2.0
210.05310	0.3
225.07677	1.8
225.15030	0.2
227.12895	0.8
287.15067	0.3
341.12567	0.2
343.14160	0.2
359.15021	0.3
397.15164	0.4
403.13974	0.6
422.89124	0.1
449.20816	0.2
451.16187	0.2
461.98669	0.1
491.21494	0.3
554.21527	0.2
569.23303	0.7
585.23907	0.5
615.30322	0.2
632.26544	0.4
633.15082	0.2
633.31787	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.3
60.23176	0.6
61.98833	8.1
70.73234	1.3
70.73630	1.2
78.95907	0.7
97.06627	1.4
99.92588	0.9
116.92863	4.6
117.03477	22.0
118.03802	0.9
119.05040	30.1
120.05402	1.8
121.02978	1.5
125.09699	0.9
140.24448	0.7
145.02975	93.0
146.03311	3.8
149.24345	0.7
160.84271	0.8
162.83969	2.4
163.04027	31.5
164.04318	1.6
172.06122	0.6
217.31157	0.6
405.27789	0.9
421.31110	10.1
422.31491	2.1
423.32489	2.2
467.31714	0.7
469.33109	5.8
470.33582	0.9
484.96484	0.7
585.35785	12.1
586.36420	3.6
587.37408	23.8
588.37878	5.6
631.36481	100.0
632.36884	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	631.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
61.98829	3.2
68.76558	0.3
69.45438	1.8
69.45861	1.0
71.05037	0.4
78.95892	0.5
93.03464	0.5
116.92853	0.3
117.03478	13.7
118.03789	0.5
119.05038	100.0
120.05367	4.6
145.02968	42.6
146.03322	2.3
160.84274	0.4
163.04019	78.7
164.04349	4.6
167.53549	0.4
183.13873	0.7
189.85487	0.3
441.34753	0.3
464.71939	0.3
509.25409	0.4
587.37018	0.8
589.40417	0.3
593.36548	0.4
631.36469	74.7
632.36859	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	631.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21955	1.7
55.16335	1.7
57.03444	4.1
59.01382	42.9
61.98512	2.6
61.98834	48.7
71.01389	29.2
71.05019	2.2
71.72394	2.7
71.72771	2.2
72.99310	2.8
73.02959	6.5
78.95898	2.2
83.05046	2.1
85.02960	10.4
87.00872	4.8
87.04544	4.1
88.98815	3.3
89.02463	25.9
90.65953	2.0
95.01413	2.1
96.96041	19.1
96.96967	3.8
97.06605	6.4
99.00900	5.6
99.92616	2.4
101.02453	23.2
109.02934	2.4
109.66236	1.9
110.35477	2.1
111.00923	3.3
113.02497	10.7
116.92877	25.8
119.03516	3.2
123.00903	4.3
125.02473	8.0
125.09753	17.3
131.03531	12.6
135.08133	3.0
143.03603	2.3
145.03052	2.7
149.04576	18.4
151.00331	2.0
161.04572	3.6
166.59525	1.9
169.01408	4.3
171.10295	12.6
177.01886	2.7
183.13965	3.2
185.11862	45.8
186.12195	2.3
187.09785	11.0
191.05595	7.8
197.11890	13.0
201.11343	19.7
207.10434	4.3
209.11850	34.8
210.12131	3.2
211.13390	14.3
213.14999	7.8
225.11441	3.7
227.12888	5.0
235.08022	2.0
253.09387	9.9
313.11276	4.5
313.23550	1.9
335.22491	2.2
337.23782	10.5
423.18585	3.0
439.26953	4.7
463.32730	4.7
469.29581	3.4
524.25134	2.0
569.25568	2.7
571.31555	3.2
595.37115	20.3
596.36749	4.0
613.29669	2.3
631.35437	100.0
632.34839	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	631.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03441	0.7
58.00590	0.2
59.01378	6.0
61.08553	0.2
61.98833	9.0
65.00327	0.2
67.01888	0.8
68.99828	0.3
69.03464	0.7
71.01383	3.3
71.75898	0.4
72.99314	0.8
73.02941	1.0
75.00884	0.2
79.01900	0.8
83.01398	1.0
85.02975	1.7
87.00882	0.7
88.98815	0.7
89.02476	1.2
95.01402	1.7
96.96024	1.4
96.96974	0.2
97.02971	0.7
99.00887	0.6
100.48888	0.2
101.02448	1.9
107.01408	3.6
110.00098	0.2
111.00892	2.4
112.70636	0.2
113.02499	1.3
116.92887	0.4
119.03563	0.4
119.05036	0.3
120.99588	0.2
123.00903	15.6
123.04579	0.3
124.01780	1.0
125.02465	15.0
126.02792	0.4
127.00388	0.6
134.06158	0.3
135.04544	0.4
135.08160	0.2
136.98831	1.1
137.02480	0.4
139.00398	4.4
139.11261	0.3
140.01186	3.7
141.01958	2.2
145.03035	0.2
149.02441	0.2
151.00385	8.6
151.03986	0.3
152.00742	0.3
153.01964	1.0
154.99942	0.3
161.04613	0.3
163.04031	0.6
167.03534	0.2
168.00668	3.1
169.01445	17.8
170.01770	0.7
171.10339	0.2
181.05138	0.4
182.02261	0.3
182.37245	0.2
183.10252	0.5
183.13974	0.3
193.05009	0.2
195.06644	0.2
197.04533	0.4
198.04828	0.3
207.06299	0.2
209.04640	0.3
209.11848	0.4
211.02463	1.1
221.62839	0.2
225.11247	0.2
227.12820	0.4
253.03375	0.3
271.04657	1.1
313.05789	0.9
469.16306	0.5
558.10730	0.2
566.96649	0.2
568.24811	0.9
569.26068	6.1
587.33771	0.3
613.32123	0.2
631.33478	100.0
632.33801	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	631.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.4
58.00593	4.6
59.01383	40.5
60.01702	1.2
60.99295	1.0
61.98835	52.9
69.03450	1.1
71.01390	9.7
71.74514	1.3
72.99295	1.1
73.02591	0.8
73.02954	9.3
78.91882	3.6
78.95870	0.8
81.56053	0.6
83.01402	8.3
85.02939	3.0
87.00877	3.7
87.04491	1.9
88.98832	4.4
89.02449	3.2
93.03444	2.7
94.81767	0.6
95.01385	2.0
95.05001	1.0
95.12193	0.7
96.69953	0.6
96.96049	4.9
96.96624	0.8
96.96922	0.9
97.02951	1.1
97.06600	0.9
99.00853	1.4
99.04537	0.7
101.02474	6.9
107.01398	0.9
108.02139	0.8
109.02917	1.9
109.06586	1.1
111.00867	1.0
113.02436	3.6
116.92844	1.5
119.05036	0.6
121.02919	2.6
122.03770	3.3
123.00897	3.0
123.04568	1.4
124.01644	1.2
125.02468	8.6
126.02758	1.6
133.02977	1.1
134.03822	0.6
135.04543	1.3
136.01625	1.5
137.02473	9.0
138.03194	1.9
139.00349	1.1
139.03967	1.2
139.07622	0.9
139.11327	13.1
140.01160	0.8
140.11642	1.0
141.01942	0.9
147.04489	1.2
149.02466	7.0
150.03255	20.8
151.00380	7.2
151.03996	3.1
152.00937	0.6
152.04741	1.9
153.01888	2.6
153.05589	1.2
160.01628	0.9
160.05276	1.0
163.04054	1.7
163.11197	2.1
164.01129	1.4
164.04820	1.6
165.01953	59.9
165.05595	20.8
165.09166	1.3
166.02734	16.8
167.03252	1.5
167.07155	3.6
168.00587	1.1
169.01437	4.6
169.12402	3.0
173.02339	0.6
175.02568	0.8
175.04044	4.8
175.07532	1.1
177.01941	12.2
178.02763	3.4
178.06282	0.7
179.02019	1.0
179.03514	12.8
179.06989	0.9
179.10828	1.6
180.04306	48.3
181.05081	42.8
181.12355	5.9
182.05437	2.2
183.10278	17.4
184.03731	1.0
184.10553	0.9
189.05566	1.3
190.06371	4.2
191.03462	1.2
192.04303	4.3
193.05095	4.0
194.05843	4.3
195.02898	2.9
195.06644	79.0
196.03636	0.7
196.07025	4.5
197.11810	1.3
199.13318	1.4
205.08736	6.0
207.06552	2.1
208.07349	1.3
209.04491	1.0
209.08086	2.1
209.11786	1.1
210.05302	7.6
211.05995	1.6
223.09822	3.0
225.07703	46.0
225.11165	12.9
225.14832	1.8
226.07896	2.2
226.11600	0.9
227.12869	5.3
228.13275	1.1
231.10136	1.2
243.12408	8.7
244.12711	1.1
249.11266	1.2
257.13892	1.2
269.13815	1.3
285.13312	1.3
287.14914	0.8
291.12274	1.8
297.03949	1.1
300.99744	1.0
309.13379	0.9
311.11420	1.1
312.10172	0.9
327.08585	1.6
327.14609	1.8
329.12274	2.8
342.11005	2.1
357.13400	5.6
375.14355	2.4
387.16937	3.2
405.15414	3.8
419.22839	1.1
459.18448	2.4
463.13507	0.7
523.21417	2.3
541.21960	2.0
553.20630	1.5
559.22882	1.3
565.21667	2.1
568.24487	1.5
569.22607	2.0
583.15948	0.8
583.24023	10.8
584.23828	2.8
595.23547	2.1
599.27155	1.1
601.23285	0.8
613.25104	23.1
614.25330	4.4
631.25867	100.0
632.26245	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	631.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.8
58.00597	6.9
59.01378	45.1
60.01719	1.2
61.98833	38.4
64.60094	0.8
67.40903	0.9
70.37501	1.0
71.01382	11.0
72.99292	2.2
73.02949	9.3
75.00843	1.0
78.91869	1.6
83.01402	7.5
85.02919	3.2
87.00833	4.3
87.04476	1.8
88.98820	5.9
89.02409	3.1
93.03448	2.0
95.01347	1.6
95.05017	1.6
96.68638	1.0
96.95972	3.7
97.02934	1.3
98.20634	2.0
99.00851	1.5
99.04526	1.3
101.02451	5.0
105.55724	0.9
108.02155	1.4
109.02930	1.9
111.00818	1.6
113.02409	3.0
121.02895	2.9
122.03705	4.0
123.00822	3.6
123.04522	1.2
125.02481	7.2
135.04527	1.5
136.01604	1.6
137.02481	7.3
138.03128	2.9
139.00357	1.1
139.03911	1.2
139.11319	13.3
141.01932	0.9
146.90056	0.9
147.04497	1.3
149.02458	6.3
149.05995	1.0
150.03244	22.0
151.00412	7.2
151.03839	3.7
152.00813	1.3
152.04713	2.9
153.01852	2.3
153.05519	2.2
161.04526	1.1
163.03870	1.0
163.11183	1.5
164.04741	2.3
165.01950	55.7
165.05592	24.6
165.09146	2.3
166.02733	19.0
166.05991	1.1
167.03241	1.7
167.07146	5.1
167.10739	1.0
169.01318	3.8
169.12241	2.4
175.03923	4.0
177.01944	10.2
177.05592	1.6
178.02614	2.2
179.03525	15.2
179.06993	2.3
179.10701	1.8
180.04298	47.3
181.05077	44.3
181.12303	5.8
181.73466	1.0
182.05301	2.6
183.10289	18.9
184.10411	1.0
189.05490	1.1
190.06233	4.3
191.03346	0.9
192.04321	5.9
193.04893	3.9
194.05869	5.4
195.02806	2.9
195.06636	85.4
196.07065	4.6
197.11769	2.1
199.13217	1.0
205.08699	5.8
205.12376	1.0
207.06558	1.6
208.07283	1.7
209.04501	1.6
209.11703	1.0
210.05302	6.4
211.06015	1.6
223.09735	4.4
225.07698	43.1
225.11171	12.6
225.14792	1.9
226.02675	1.1
226.07854	1.8
226.11565	1.3
227.12878	8.6
228.13086	1.7
243.12387	8.5
255.19495	1.2
267.12079	1.0
280.40128	1.0
285.13092	1.5
287.14767	1.6
311.11179	1.1
327.08517	1.9
327.14578	2.3
329.12653	5.8
342.10947	1.7
357.13126	3.9
370.65085	1.2
371.13373	1.0
375.14139	1.7
387.16125	2.9
405.15512	4.6
417.24411	1.1
417.37396	1.0
419.22546	1.7
459.18594	2.2
479.24313	1.0
523.22150	1.7
541.22278	1.7
553.20557	2.3
568.24475	2.0
583.23871	10.8
584.24127	2.3
584.37402	0.9
595.23700	1.7
601.22900	1.4
613.15936	1.6
613.25067	28.6
614.24945	4.1
631.25812	100.0
632.25983	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	630.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67665	0.8
53.47938	0.9
57.03429	1.9
59.01379	62.6
60.99310	1.8
61.98832	65.5
63.64419	1.0
69.03477	1.4
69.51931	10.0
71.01392	15.4
72.99304	2.7
73.02950	10.5
75.00879	31.7
76.01202	1.0
82.35781	0.9
83.01383	5.6
85.02962	5.3
87.00902	2.2
88.98810	8.2
89.02452	8.5
93.03484	1.2
95.01391	2.2
96.96028	1.6
97.02947	1.7
99.00900	1.5
99.04546	2.4
101.02461	12.7
107.01373	2.1
107.05055	4.5
108.02209	1.5
108.05370	1.6
109.02956	3.2
111.00915	1.3
113.02455	7.0
116.92828	1.1
119.03495	4.4
119.05077	1.5
121.02969	46.0
122.03295	12.6
123.00900	4.3
123.04526	2.1
124.01648	1.5
125.02461	12.0
135.04544	13.2
135.06667	8.1
136.04884	5.3
137.02452	3.6
139.19461	1.0
141.02020	1.0
143.03499	1.2
149.02501	2.6
150.03255	4.2
151.00397	3.5
151.03995	2.8
153.01956	2.1
161.02444	4.1
161.04617	2.9
163.03961	2.2
165.02020	2.2
165.05565	3.2
165.12952	1.0
167.03540	1.7
168.00656	2.2
169.01451	12.9
170.01819	1.9
173.04593	1.1
179.03465	1.2
179.05632	3.3
180.04291	1.8
181.05028	1.2
183.06825	1.2
189.12990	1.2
195.06647	3.7
197.04582	4.1
198.04842	2.2
207.13864	1.1
209.08194	1.2
209.11803	4.2
210.12180	1.1
211.02466	2.6
225.14937	2.6
227.12895	15.8
228.13150	3.1
256.07431	1.2
269.13889	1.8
271.02176	1.4
271.04776	2.4
271.09750	1.3
279.10849	1.8
283.04669	1.0
287.14920	2.5
297.11816	5.7
300.99905	1.7
301.03214	1.5
311.07861	1.5
313.05618	1.2
316.02139	1.4
372.18195	1.0
373.38293	1.1
438.03143	1.0
441.16202	0.9
454.07950	1.2
479.08121	1.2
540.21735	8.8
541.22430	2.8
548.94952	1.1
549.25562	2.0
554.23309	4.5
567.17535	3.8
567.26514	100.0
568.26904	19.1
601.28485	1.2
612.23584	1.9
630.12518	3.0
630.24957	64.6
631.14209	1.9
631.24994	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	629.348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12684	4.1
59.01391	6.8
61.98829	40.2
68.37591	3.6
68.75693	3.0
70.87861	7.3
70.88200	3.9
79.11116	3.0
81.05990	3.1
83.05022	4.6
101.16406	3.1
105.20130	3.3
125.09730	6.6
184.72470	3.5
189.01830	4.1
192.11292	3.4
236.05997	3.0
283.33298	4.8
435.19342	4.3
453.08173	3.8
483.15057	7.2
497.16873	12.7
542.16364	6.9
553.19550	36.0
554.19281	4.7
597.18408	6.4
629.21094	100.0
629.41388	7.2
630.21338	19.6
639.98016	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	630.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33110	0.4
57.03442	0.7
58.99556	0.4
59.01379	11.2
61.98831	40.5
65.00306	0.4
67.01885	0.6
68.99834	0.5
69.03454	1.0
71.01389	6.6
71.69376	0.4
72.99306	1.9
73.02948	2.2
75.00883	2.9
79.01893	1.0
80.91698	0.6
83.01396	1.4
83.05027	0.6
85.02958	1.8
87.00887	1.2
87.04520	0.8
88.98808	2.3
89.02462	2.8
95.01404	1.3
96.96035	3.2
97.02969	1.5
98.19897	1.0
99.00909	1.4
101.02462	4.0
106.41076	0.4
107.01414	4.4
109.02964	1.1
110.00108	0.4
111.00914	3.4
113.02467	2.0
116.92878	1.4
117.08238	0.4
119.03526	0.8
119.05025	0.5
121.02968	0.9
122.66518	0.4
123.00901	9.1
124.01684	0.6
125.02462	25.9
127.00378	1.1
128.03535	0.5
129.01942	0.9
135.04535	0.8
136.98849	2.0
137.02469	1.2
139.00388	4.6
139.04001	0.9
139.11263	0.9
140.01198	3.8
141.01968	1.9
146.08244	1.2
147.04506	0.6
149.02502	0.7
150.03217	1.2
151.00401	7.3
151.03964	1.4
152.01033	0.6
153.01933	1.2
159.03015	0.8
161.04617	0.6
161.90326	0.4
164.04669	0.5
165.01923	2.8
165.05602	1.4
166.02597	0.6
166.05988	0.8
167.03543	0.7
167.99338	0.8
168.00647	7.9
169.01448	42.8
170.01784	2.0
175.03983	0.6
177.04065	13.7
179.03519	1.8
180.04323	0.8
181.05043	1.5
183.10263	0.9
184.10619	0.6
191.07347	0.4
194.05846	0.5
195.06627	2.2
199.09813	0.5
201.11360	0.4
209.08276	0.9
209.11873	1.0
211.02455	5.0
225.07712	0.8
226.07935	0.6
227.12944	0.8
248.26591	0.5
269.13953	0.5
271.04620	4.8
284.03381	0.6
285.03940	0.6
297.06216	1.8
299.99152	0.6
300.99811	0.6
313.05679	1.4
325.16608	0.8
329.05145	4.3
364.08981	0.5
404.14539	0.7
567.24512	100.0
568.24841	20.5
570.24652	0.7
629.31812	0.6
630.22986	1.4
630.33301	6.3
631.33881	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	629.348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	16.1
59.80583	8.9
61.22615	8.1
61.98832	100.0
66.07645	9.0
70.33696	43.0
78.53306	8.3
98.19980	10.7
103.30383	10.5
105.92226	9.0
111.08170	11.3
116.92930	13.7
120.23636	10.6
252.82739	9.8
287.22330	11.0
629.41760	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	629.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74927	0.3
55.01878	0.5
57.03452	3.0
58.00580	0.6
59.01380	31.9
60.01700	0.4
60.99316	0.4
61.98833	16.8
69.03432	0.5
71.01028	0.5
71.01389	6.6
71.05014	0.4
72.01684	0.3
72.99299	0.8
73.02961	2.6
75.00871	0.4
75.11169	0.3
78.95863	0.5
80.96557	0.4
81.03457	0.4
82.28819	0.3
83.01384	1.0
83.05045	0.5
85.02962	2.6
87.00877	0.8
87.04508	1.0
88.98825	1.6
89.02454	3.2
93.03467	0.8
95.01408	0.5
95.05019	0.6
96.96033	2.1
97.02971	0.6
98.19815	0.7
99.00898	0.7
99.04527	0.6
101.02448	3.3
105.01929	0.4
107.01464	0.6
107.05016	0.4
108.02174	0.8
109.02956	0.8
109.06613	0.8
111.00879	0.6
111.04526	0.4
111.08120	0.3
113.02462	2.6
119.03512	1.2
119.05006	0.9
121.02968	1.3
121.06593	0.4
122.03746	1.6
123.00892	2.2
123.04591	0.5
123.08160	0.4
124.01685	0.4
124.05312	0.8
125.02463	3.3
125.06096	0.5
127.00343	0.4
131.03560	0.5
135.04497	0.5
136.05304	0.4
137.02414	0.8
137.06088	0.4
137.09726	1.1
139.00357	1.3
139.03978	0.6
139.07695	3.8
139.11317	28.3
140.11633	1.4
145.02945	0.7
147.04504	0.5
149.02480	2.6
149.09740	0.5
150.03249	10.7
151.00378	1.5
151.03880	1.4
151.07643	1.4
151.11285	0.4
153.01941	0.6
153.05428	0.3
153.09198	0.4
161.02516	0.6
161.04538	0.9
161.09726	0.6
162.03206	0.8
163.04012	0.5
163.11296	1.3
164.04776	0.8
164.98468	0.3
165.05592	10.9
165.09172	0.8
166.02638	1.1
166.05963	0.5
167.03561	0.5
167.10835	0.5
168.00685	1.0
169.01466	3.7
169.12349	1.6
175.03918	0.5
177.05496	0.8
179.03551	0.4
179.10841	3.0
180.04234	1.1
181.05084	1.9
181.12366	6.8
183.10286	28.0
184.10619	1.6
185.11766	0.4
191.03539	0.5
193.12276	0.5
195.06650	3.8
195.13895	0.9
197.11845	1.0
199.13326	0.7
203.03464	0.8
204.04346	0.3
207.06650	0.4
209.11716	0.4
211.02396	0.5
211.13419	0.5
218.05881	0.7
221.11755	0.3
223.13351	1.4
225.07870	0.5
225.11334	9.6
226.11636	0.7
227.03575	1.1
227.12943	0.4
229.53561	0.4
239.03899	0.3
241.14452	5.8
242.14749	0.6
243.12375	4.9
251.09131	0.9
255.03012	1.3
256.03497	0.5
267.12384	0.8
271.04596	0.9
275.16730	0.3
284.03214	1.9
285.03946	2.1
285.13361	1.1
300.99872	0.6
358.10501	1.1
373.13214	1.9
402.09555	0.4
403.14432	0.4
405.02878	0.4
417.11993	0.5
419.17383	0.4
432.14420	0.8
433.14859	3.4
497.30994	0.6
566.22198	0.4
567.24432	6.8
569.29895	0.5
593.13055	3.0
594.13519	1.0
611.31244	1.7
629.22638	9.1
629.31915	100.0
630.22937	1.7
630.32190	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
59.02357	0.1
61.98832	2.0
71.01386	0.5
71.68682	0.2
73.02949	1.9
75.00904	0.1
83.01398	0.1
85.02963	0.2
87.00883	0.1
88.98859	0.1
89.02443	0.4
96.96007	0.2
99.00910	0.3
99.92593	8.6
100.92602	0.3
101.02483	0.2
113.02449	0.2
114.93489	0.2
116.92878	100.0
117.01313	0.1
117.01948	3.6
117.92887	6.9
125.02484	0.2
137.09802	0.1
147.20224	0.1
171.10310	0.4
199.09811	0.6
209.11823	0.1
211.13376	1.3
213.37970	0.1
225.11331	0.2
235.08295	0.1
236.22841	0.1
245.36481	0.1
320.99664	0.1
324.30237	0.1
469.77521	0.1
593.30023	0.2
597.21588	0.2
629.34094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03452	4.0
58.00600	1.0
59.01379	76.8
60.01717	1.0
60.99307	6.6
61.98831	11.3
69.03482	0.8
71.01385	21.5
72.01703	0.5
72.99323	1.9
73.02953	12.8
75.58984	0.4
78.05727	0.4
81.03469	0.7
83.01391	5.8
83.05047	0.4
85.02961	6.4
87.00900	1.3
88.98814	36.9
89.02456	8.8
93.03466	0.7
95.01396	2.1
96.96029	1.2
97.02954	0.6
98.19832	0.5
99.00900	0.9
99.04556	1.4
101.02461	12.9
107.01415	1.2
109.02946	0.9
111.00995	0.4
113.02467	10.6
119.03495	2.6
119.51945	0.6
121.02996	0.6
121.06602	0.5
123.00910	1.0
123.04499	0.6
125.02462	26.1
126.02814	1.3
131.03531	1.0
134.03804	2.0
135.04550	1.9
137.02472	1.0
137.09793	0.9
138.03262	0.4
143.03572	0.8
149.02460	4.0
149.04562	0.7
149.06094	2.1
150.03307	0.8
150.31067	0.4
151.00372	3.4
151.04007	0.4
152.01160	0.6
153.01947	6.7
153.03087	0.5
154.02289	0.6
161.04616	1.6
163.04164	0.6
164.04807	15.9
165.01987	1.4
165.05420	1.9
165.12839	0.8
166.02640	0.6
167.03569	0.7
167.10811	0.5
168.00635	0.5
169.01427	4.2
173.44569	0.4
177.01901	0.7
178.99892	1.2
179.03618	0.9
179.05685	0.9
179.07143	13.4
180.04355	1.3
180.07527	0.7
182.02238	1.4
182.05908	1.0
195.06628	2.3
197.00989	0.9
197.04626	2.5
197.06303	0.4
197.08299	1.9
198.04770	0.4
202.46590	0.5
207.13879	2.7
209.11871	3.5
225.07689	0.7
225.14958	7.4
226.15448	0.5
227.12886	31.7
228.13232	2.0
233.11821	0.7
233.81685	0.4
241.03517	0.7
251.12883	1.0
269.13898	3.1
271.04694	0.5
287.15027	4.3
300.02563	1.1
301.05792	3.2
312.10126	0.8
313.05710	1.8
315.05081	0.8
327.12216	0.5
331.06790	0.5
341.12405	6.1
345.11853	0.7
359.13565	1.0
387.12955	0.7
401.14554	0.7
431.19400	1.8
449.20450	1.0
539.21228	1.2
551.81018	0.5
557.22394	7.5
558.22736	1.7
567.24823	2.0
611.27460	6.2
612.27448	1.7
629.28308	100.0
630.28632	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	629.2245
Annotation	CHEBI:81547
Peak:m/z	Relative Intensity
50.16902	1.1
55.01896	1.0
57.03455	1.3
59.01380	38.9
60.99317	1.4
61.98834	59.4
67.01895	1.9
68.02530	1.0
71.01385	13.9
71.73123	2.1
72.99313	3.0
73.02950	7.4
77.76320	1.0
78.95921	1.4
79.05583	1.1
79.40168	1.2
81.03463	1.4
83.01367	1.4
83.05005	1.5
85.02956	4.8
87.00877	3.1
88.98820	8.5
89.02468	6.3
91.33926	1.2
91.98713	1.1
93.03468	5.4
95.01398	3.9
95.05037	1.5
96.96021	9.7
96.96981	1.2
97.02963	1.6
99.00868	1.4
101.02470	7.1
105.01927	1.1
107.01397	2.4
107.05026	2.2
108.58915	1.1
109.02937	2.7
111.00912	3.5
111.04636	1.2
113.02453	4.1
116.92850	3.0
119.03510	1.9
119.05046	3.7
121.02972	6.3
122.03751	8.5
123.00904	8.5
123.04530	3.1
124.01664	3.7
125.02483	13.4
134.03694	1.2
134.68655	1.1
135.04515	3.7
136.01660	2.9
136.98766	1.8
137.02487	8.9
137.06096	1.5
138.03206	3.6
139.00368	9.2
139.04002	3.8
139.11302	4.7
140.01163	2.2
145.02925	2.3
146.03748	1.4
146.08240	3.8
147.04538	3.6
149.01251	1.5
149.02460	20.0
150.03241	59.7
151.00383	7.4
151.04004	7.2
152.01202	1.5
153.01924	3.5
153.05557	2.6
159.04460	2.2
161.02440	2.8
161.04674	1.2
161.06067	1.2
162.03180	2.8
163.04021	5.3
164.04741	3.7
165.01897	4.9
165.05582	54.3
166.02750	7.7
166.05930	2.3
167.03511	2.6
168.00633	1.9
169.01456	16.5
174.01672	1.3
174.03102	1.4
175.04019	2.8
177.01913	3.3
177.04105	1.9
177.05580	3.9
178.02696	1.6
178.06149	1.2
179.03477	4.3
179.07063	2.0
179.10736	2.4
180.04260	9.1
181.05064	16.3
181.12363	1.8
183.10262	6.1
187.03999	1.5
188.01163	2.2
188.04762	1.4
189.01947	1.8
190.02689	1.7
191.03522	5.7
191.05421	1.6
192.04266	4.8
193.05037	2.7
194.05780	1.3
195.06636	21.2
201.11288	4.4
203.03513	8.3
204.04256	2.1
205.05069	2.4
207.06656	5.7
209.11819	5.5
211.02475	2.2
218.05801	7.1
219.06532	4.1
221.04521	2.8
225.07660	4.3
225.11298	1.9
227.03491	2.2
227.12900	6.4
233.08194	7.1
235.06091	1.7
236.06859	3.1
243.12280	2.4
251.09261	14.1
255.02930	1.2
271.04462	1.5
299.99207	11.8
300.02502	2.2
300.99902	7.5
301.97687	1.2
313.05713	1.4
343.08072	1.6
357.09708	2.1
358.10526	7.7
359.11023	1.8
371.11700	1.3
373.13046	13.4
374.13196	3.3
385.12955	1.9
403.14453	6.4
417.11853	3.5
418.12415	2.3
419.13589	2.0
431.13284	6.0
432.14130	8.5
433.15024	28.8
434.15366	4.5
551.15802	2.6
566.17908	1.5
567.24542	26.2
569.24170	1.8
581.20270	11.8
582.20660	2.0
629.22534	100.0
629.31549	50.5
630.22223	19.9
630.31604	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	629.221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39334	0.6
57.03450	20.3
58.03799	0.7
59.01381	100.0
60.01716	1.3
61.98834	6.1
62.00663	0.6
69.77917	1.2
69.78252	5.3
71.01386	14.2
71.01752	1.1
72.99331	1.1
73.02940	1.0
81.03494	0.9
83.01426	0.9
85.02976	3.3
87.00895	1.8
88.60370	0.7
88.78442	0.8
88.98845	2.4
89.02454	12.7
95.01425	2.0
97.02903	0.9
98.20575	1.6
99.00919	2.9
99.04532	15.3
101.02454	14.6
113.02489	4.8
119.03527	4.4
120.99660	0.8
121.02953	1.6
122.03779	2.6
123.00857	0.8
125.02496	5.6
136.99135	1.0
143.03581	1.0
144.08163	1.1
145.07719	4.9
147.04602	1.1
149.02464	24.9
150.03242	23.0
151.03867	0.8
160.06438	16.7
161.02530	0.9
161.04579	18.0
161.07230	40.3
162.04927	0.8
162.07594	1.7
163.04022	1.1
164.04839	10.2
165.05589	39.3
166.06049	1.8
169.01439	1.9
171.09315	0.7
173.10875	2.3
175.08842	1.3
177.02005	1.0
179.05664	2.8
180.04381	2.4
181.05139	3.2
182.05960	1.0
183.06654	1.7
185.10886	1.6
187.08800	12.1
189.06718	49.7
190.07106	2.9
193.08716	2.0
195.06641	37.3
196.07359	3.4
197.08157	1.0
201.10332	10.2
202.10492	0.9
203.08257	1.2
203.11948	1.4
211.09956	4.1
215.08315	1.1
217.09839	1.3
225.10329	0.9
227.08298	1.7
229.09808	43.3
230.10182	2.8
241.09863	3.6
243.11440	2.5
245.09312	1.5
257.09424	2.4
259.10858	1.5
269.09332	0.8
271.10925	2.5
274.82968	0.7
277.11938	4.4
287.10416	6.2
305.11435	53.4
306.11746	4.7
319.12946	1.2
344.12680	12.5
345.13068	1.2
347.12543	8.2
359.15005	56.1
360.15289	6.3
389.16107	1.4
407.17136	46.5
408.17343	4.8
467.16684	35.7
468.16956	4.5
485.17749	54.7
486.18192	7.2
527.18652	4.8
567.21002	1.4
629.11884	1.2
629.21844	17.1
630.22681	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	629.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52943	0.2
57.03459	0.3
59.01383	3.3
60.99311	13.9
61.98832	10.6
62.57652	0.2
71.01396	1.3
72.99318	0.7
73.02950	0.5
77.39410	0.2
83.01403	0.7
85.02967	1.2
87.00887	0.4
88.98816	100.0
89.02455	0.7
89.99137	1.1
93.03436	0.2
95.01376	0.5
96.96034	0.5
97.02948	0.2
98.20583	0.4
99.00889	0.3
101.02456	0.6
107.01411	0.8
107.05054	0.3
108.02214	0.3
109.02961	0.9
110.04257	0.2
111.00908	0.4
113.02482	0.8
119.05076	0.2
120.99677	0.8
121.02936	0.3
122.64278	0.2
122.99259	0.6
123.00889	1.3
123.04552	0.4
124.01718	0.3
125.02466	3.2
131.50262	0.2
135.04559	1.1
136.01697	0.3
137.02461	0.6
138.03217	0.6
139.00439	0.3
139.04007	0.6
140.01183	0.3
146.03780	0.2
149.02507	0.3
150.03300	0.3
151.00392	2.4
151.03999	0.7
153.01974	0.3
153.05634	0.3
163.00343	0.2
165.01982	0.8
165.05605	0.4
166.02686	0.3
166.99858	0.7
167.03459	0.4
168.00623	0.4
169.01443	3.9
170.01878	0.2
175.02509	0.4
177.01994	0.3
177.05568	0.3
178.99908	0.9
179.03517	0.9
179.07124	0.3
180.04268	0.4
181.05107	0.4
182.02216	1.8
193.05072	0.2
195.06569	0.8
197.04565	2.8
207.06570	0.2
209.11839	0.3
211.02448	0.3
225.07680	0.4
227.03453	0.3
227.12889	0.9
229.94391	0.2
236.82106	0.2
255.02969	0.5
269.13824	0.4
271.02344	0.5
272.02765	0.5
273.03162	0.3
287.09418	0.4
287.14966	0.8
299.99680	0.2
300.02621	1.2
301.03467	5.8
302.03622	1.6
303.03949	0.6
311.07498	0.5
313.05789	0.3
327.03665	1.5
329.08966	0.3
335.63953	0.2
431.19379	0.5
449.20364	0.2
463.09073	0.4
464.08987	0.2
465.09668	1.3
467.08994	0.3
477.06726	2.9
525.23273	0.4
539.21216	1.2
567.24689	1.6
567.32129	0.3
629.10303	0.3
629.23621	2.0
629.34021	0.4
630.23151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.4
59.01379	6.7
59.01679	0.2
60.99305	0.6
61.98831	22.1
65.00304	0.3
66.06578	0.3
67.01890	1.3
67.28189	0.3
69.03464	1.3
71.01380	2.4
72.99312	0.5
73.02938	0.8
75.00904	0.3
79.01887	0.7
81.03469	1.6
83.01398	1.0
85.02952	0.7
87.00900	1.0
88.98813	3.3
89.02460	0.7
94.98084	0.9
95.01401	4.9
96.96038	2.0
97.02963	1.5
98.95598	0.4
99.00906	0.4
101.02456	1.1
103.00337	0.3
107.01405	5.5
108.02203	0.9
109.02958	1.2
111.00886	2.6
113.02459	1.1
119.03529	0.4
121.02964	0.8
123.00900	15.0
123.04509	0.4
124.01765	1.8
125.02464	26.1
126.02827	1.3
127.00384	1.0
135.04547	0.6
136.98880	1.4
137.02493	0.7
138.03293	0.5
139.00400	3.6
139.04005	0.7
140.01187	4.5
141.01961	1.7
145.02972	0.6
145.12741	0.3
147.04514	0.5
149.02415	0.3
150.03204	0.9
151.00409	4.6
151.03992	0.8
152.01024	0.4
152.07175	0.3
153.01921	1.5
153.05624	0.5
162.06566	0.3
163.04076	0.6
164.04785	2.5
165.01924	0.9
165.05563	0.6
166.02742	0.4
166.99870	4.8
167.03481	0.8
168.00665	3.9
169.01440	19.6
170.01743	1.0
170.62550	0.3
178.06445	0.3
179.03499	0.4
179.07150	2.4
180.04279	0.4
181.01434	0.5
181.12375	0.4
181.52579	0.3
182.05806	0.3
183.03049	1.4
183.10236	0.4
191.05574	0.5
191.07144	0.3
193.01411	0.5
195.03018	3.5
195.06590	0.7
197.04562	1.0
197.08279	0.6
201.11365	0.5
204.04289	0.4
208.03758	0.3
209.04526	0.7
219.06728	0.3
225.11156	0.4
225.14973	0.5
227.12895	2.7
243.12445	0.8
249.07585	0.3
251.11165	0.3
253.05176	0.3
254.05717	0.4
265.08609	0.3
267.06595	0.5
268.07422	1.1
269.13898	0.3
277.08624	0.3
282.09097	0.3
284.10071	0.3
287.14899	0.8
293.08234	0.3
294.09088	1.5
295.09714	1.0
307.68271	0.3
311.97742	0.3
312.10077	3.6
313.05731	0.5
313.10809	5.8
314.11234	0.8
318.07303	0.4
327.12338	1.9
328.12601	0.3
343.13928	0.6
344.14499	0.8
345.15164	1.0
431.19058	0.3
446.10199	0.4
464.11090	14.9
465.11462	2.7
479.13470	100.0
480.13806	17.7
525.23413	0.8
539.21680	0.4
555.72064	0.3
557.22699	0.5
566.23138	0.6
567.24683	5.1
567.33350	0.3
571.56433	0.4
611.27148	0.6
629.18970	11.1
629.28662	4.5
630.19165	2.9
630.28973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61453	5.8
58.09319	7.1
59.01373	8.8
61.98830	100.0
69.49745	62.6
78.95911	18.7
79.73451	5.7
81.20958	7.5
83.05018	6.9
96.95954	7.0
98.19794	9.9
108.81803	6.5
125.09730	14.2
152.99524	9.6
153.47481	8.4
162.86662	6.8
197.11929	15.1
209.11824	13.0
333.10959	11.6
419.63882	6.8
488.69196	7.1
530.74225	8.4
627.31189	12.5
627.41211	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	629.1162
Annotation	Isorhamnetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
53.00983	0.5
53.75541	0.5
57.03449	0.6
59.01383	8.2
60.99314	0.9
61.98834	15.5
65.00343	1.3
67.01919	0.9
69.03448	1.0
69.42888	0.6
69.43296	4.7
71.01385	5.7
72.99308	0.9
73.02961	1.2
75.00879	2.2
83.01405	1.6
85.02981	1.7
87.00889	1.3
88.98820	9.0
89.02454	2.4
93.03493	0.6
95.01409	1.3
95.77191	0.5
97.02966	1.7
101.02464	2.5
107.01411	10.5
108.02265	0.5
109.02939	0.8
111.00903	1.6
113.02453	2.5
118.95956	0.4
119.05049	1.0
120.99635	0.6
121.02963	1.8
123.00905	7.0
123.04567	0.8
124.01714	1.4
125.02466	56.1
126.02808	1.7
135.04549	1.3
136.98749	0.6
137.02489	1.8
137.09798	0.5
138.03226	0.9
139.00414	1.9
139.03989	0.6
140.01167	1.7
141.01988	1.1
145.02962	0.6
148.01698	0.7
149.02422	0.8
150.03252	1.5
151.00398	11.7
151.03987	1.2
152.01151	0.4
153.02034	2.4
153.05595	4.3
161.04591	0.8
163.00356	0.9
163.04076	0.5
164.01173	1.0
165.01970	1.7
165.05559	1.5
167.03557	0.8
167.07135	0.6
167.90877	0.5
168.00687	2.9
169.01450	79.9
170.01793	2.7
175.04024	0.7
177.01971	1.1
178.99889	1.6
179.03456	0.8
180.04286	1.0
181.05061	1.3
183.03001	0.6
183.04546	0.5
190.02611	0.5
192.04338	0.9
193.01463	0.7
195.06650	1.7
199.04070	1.6
207.06627	0.9
211.02380	2.5
215.03445	0.7
227.03491	2.3
227.12939	1.3
241.03471	2.7
242.02065	1.1
243.02943	6.6
244.03568	0.8
245.04747	0.6
255.02986	6.3
257.04590	1.1
270.01807	0.7
271.02405	15.6
272.03058	2.2
283.02274	0.6
285.04013	1.7
286.04837	0.7
287.05609	1.0
287.14999	0.7
290.60400	0.5
299.01996	15.2
299.99252	1.0
300.02722	18.5
301.00034	1.0
301.03479	9.4
313.05695	17.9
314.00647	0.8
314.04282	15.0
315.05084	15.4
316.05493	1.0
459.09091	0.8
463.08612	1.3
465.06866	1.4
477.05554	3.1
479.16998	0.6
482.29559	0.6
539.21240	1.9
566.23450	0.8
611.24060	0.7
629.11621	100.0
629.23920	7.3
630.12012	17.7
630.22919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21574	0.5
57.03440	5.1
58.00574	0.6
59.01380	42.0
59.37536	0.5
61.98831	13.5
69.03472	0.6
69.38163	1.6
69.38580	4.1
71.01373	3.7
72.99299	0.9
73.02599	0.5
73.02946	4.0
80.96513	0.5
81.03508	0.7
83.01392	1.7
85.02953	2.3
87.00892	1.6
87.04524	1.5
88.98814	1.6
89.02448	1.8
95.05014	0.5
96.96019	0.9
97.02973	1.4
97.06577	0.7
99.00925	0.7
99.04530	0.7
101.02441	2.9
105.01904	1.0
108.02221	0.7
109.06577	0.8
109.38142	0.5
109.41821	0.5
113.02463	1.6
116.92870	0.6
121.03020	0.8
121.06617	0.6
123.04552	1.3
123.08187	2.4
125.02441	1.1
133.06552	0.7
135.04538	2.1
135.08173	1.7
137.02493	0.6
137.09734	0.8
139.07637	0.6
139.11305	15.3
140.11638	0.8
141.09296	0.7
149.02484	0.8
150.03220	0.6
150.06848	0.5
151.00450	0.7
151.07660	4.9
151.11319	1.2
153.12823	0.5
160.08951	0.6
161.09753	2.2
162.03265	4.1
163.04005	0.6
163.07663	7.4
163.11302	1.5
164.08221	0.9
165.05577	1.1
165.09198	5.0
167.10805	0.6
168.07942	1.1
169.01453	1.7
169.12328	1.1
173.09712	0.9
177.05611	1.8
177.09277	2.9
179.10808	4.5
181.12347	7.9
181.96318	0.6
183.10280	20.8
183.47586	0.5
184.10670	1.6
187.56180	0.5
188.08365	1.9
190.05171	0.5
191.10709	0.6
195.06664	1.3
196.64111	0.7
197.11877	1.7
198.26949	0.5
199.13441	1.9
203.10765	8.7
204.11153	0.7
207.10324	0.8
207.13963	2.9
209.11845	1.8
221.11830	8.7
225.11327	12.3
225.14680	2.5
226.11699	0.8
227.12889	9.0
228.13251	1.0
243.12367	23.1
244.12753	1.5
248.03326	0.5
257.14063	1.0
267.12424	0.8
269.13922	1.4
285.13419	7.8
286.13684	0.7
287.15012	20.0
288.15341	1.9
329.16098	2.0
345.15576	2.5
359.16992	1.5
387.16611	1.0
389.18192	5.4
405.17657	2.6
431.19781	0.6
449.20245	8.6
450.20685	1.0
603.39081	0.6
609.29358	6.1
610.29883	1.5
627.30396	100.0
628.30731	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	627.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20868	0.4
55.01881	0.6
57.03451	7.9
58.00591	0.9
59.01379	36.7
60.01704	0.6
60.99304	1.2
61.98832	20.2
69.03441	0.7
71.01384	9.1
71.05034	0.9
71.45086	0.7
72.99320	1.1
73.02951	3.9
78.95901	1.0
81.37942	0.5
83.01381	2.1
83.05007	0.6
85.02975	2.4
87.00866	2.6
87.04524	12.9
88.04825	0.5
88.98818	5.3
89.02436	2.0
95.01420	1.2
95.05032	1.4
96.96012	1.4
97.02943	0.8
97.06567	0.7
98.03735	0.6
99.00902	0.8
99.04532	0.7
101.02441	4.5
107.05008	0.6
108.02148	1.0
109.02966	1.5
109.06576	1.0
111.00887	0.7
111.08153	1.1
113.02470	3.4
116.92894	1.2
121.02993	1.2
121.06620	0.8
122.03755	2.1
123.00906	1.0
123.04542	1.7
123.08176	3.2
125.02460	2.1
125.06048	0.7
131.03436	0.5
133.06624	0.6
135.04535	2.5
135.08148	1.5
136.05284	1.9
137.02483	1.3
137.06108	0.9
137.09726	1.0
139.07671	1.3
139.11313	18.0
140.11726	0.6
141.09239	0.5
149.02460	5.0
149.06044	0.9
149.09761	0.8
150.03246	33.0
150.06865	1.1
151.00380	1.2
151.03664	1.6
151.07646	5.5
151.11255	1.2
152.99606	0.6
153.01945	0.6
153.09213	0.5
161.02477	0.6
161.04669	2.4
161.05824	0.5
161.09683	2.0
162.03197	0.5
163.04005	0.5
163.07668	9.8
163.11287	1.5
164.04782	2.2
164.08321	0.5
165.05585	31.1
165.09241	7.8
166.05901	2.1
166.09592	0.6
167.03436	0.5
168.07892	1.3
169.01411	1.7
169.12340	2.1
173.09737	1.6
177.05640	0.6
177.09254	3.1
179.10780	6.2
180.04231	1.4
181.12379	7.6
183.10280	20.9
184.10600	1.0
188.08427	1.7
189.12573	0.6
191.10806	0.8
195.06644	9.1
197.11815	1.0
199.13408	2.3
203.10789	8.3
204.11003	0.5
207.10300	0.7
207.17496	0.9
209.04379	0.7
209.11751	0.7
221.11819	10.4
222.11966	0.7
225.11340	12.6
226.11630	1.4
227.12938	1.0
243.12379	23.8
244.12642	2.0
269.17569	30.9
270.17899	2.6
281.06619	1.0
285.13425	9.0
286.13715	0.9
293.17487	1.0
299.18713	0.6
305.17477	0.9
315.14545	0.7
327.11002	4.6
327.14444	1.2
328.11115	0.8
335.18680	1.0
345.15698	4.0
405.17545	2.5
413.21683	1.6
435.29730	2.9
463.09207	0.6
465.27823	0.9
495.31332	0.5
565.22870	1.2
567.33893	1.4
579.27905	2.0
609.29382	6.4
610.29950	1.0
627.30292	100.0
628.30621	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
58.00593	1.1
59.01381	56.8
60.01702	1.4
60.99307	3.6
61.98835	12.2
69.03461	1.7
69.55311	1.2
69.55718	5.4
71.00981	1.2
71.01385	21.3
72.99314	1.9
73.02952	14.9
75.00885	1.7
76.44155	0.6
80.40566	0.6
81.03490	1.1
83.01391	5.1
84.53271	0.7
85.02969	6.9
85.05754	0.6
87.00896	3.1
88.98815	24.9
89.02460	14.2
95.01426	1.9
96.96052	0.7
97.02967	1.8
99.00874	0.9
99.04537	1.7
99.41430	0.8
101.02453	18.3
101.03077	1.3
111.00908	1.3
113.02453	7.8
115.04051	1.6
116.92843	3.8
119.03530	4.5
119.05025	0.8
120.99682	1.7
123.00904	3.7
125.02471	6.6
131.03554	1.3
136.98976	0.7
137.02458	1.2
139.00427	1.9
140.01213	0.7
143.03514	1.3
145.05116	1.1
149.04683	1.0
151.00412	3.0
151.04025	1.1
153.02078	0.7
155.08305	1.9
161.04578	1.8
161.05952	0.7
163.04060	1.9
165.05518	1.1
168.00679	2.0
169.01448	8.7
170.01906	0.7
177.07713	7.2
179.05696	1.3
185.11844	1.1
195.06943	1.1
195.08771	5.6
207.13972	1.2
209.11856	3.5
211.02499	2.2
219.08736	1.9
225.15042	2.3
227.12886	15.5
228.13211	1.2
233.11691	0.8
251.13022	0.9
269.13803	1.8
271.04660	3.6
283.10217	0.9
287.14932	3.6
297.12088	0.7
301.03366	0.9
313.05698	0.9
339.13147	3.3
357.14005	3.5
361.18945	1.2
397.13614	1.1
399.14960	3.4
537.19720	37.3
538.20081	7.5
609.27942	3.2
627.28943	100.0
628.21606	3.2
628.29889	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	627.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03446	1.9
58.00586	4.3
59.01378	65.0
60.99326	1.0
61.98830	45.2
70.36554	0.7
71.01382	12.9
72.99310	3.3
73.02948	7.8
73.27803	0.7
75.00882	1.5
78.95893	1.1
79.95735	1.4
80.96516	5.4
83.01398	6.2
85.02968	6.1
87.00890	3.3
88.98808	6.9
89.02456	2.9
93.03466	9.1
94.98092	1.5
95.01395	1.7
96.96027	7.1
97.02982	1.8
97.06593	1.0
99.00903	1.3
99.04512	1.6
101.02466	9.3
103.00356	1.0
106.01984	0.7
108.02190	0.8
109.02979	2.6
109.06625	1.3
111.00935	1.0
113.02473	4.9
116.92878	2.3
119.03542	0.8
121.02985	3.2
122.03758	2.4
122.97577	0.8
123.00941	1.2
123.04510	1.9
123.08122	0.9
124.01707	1.5
125.02458	5.2
132.02206	0.8
133.03047	1.1
134.03764	0.8
135.04501	1.3
136.01688	2.0
137.02475	28.0
137.06070	1.5
138.03241	1.0
145.02965	2.4
147.04536	2.9
149.02451	6.0
149.06163	0.9
150.03253	37.1
151.00403	1.5
151.04027	6.7
152.01195	1.0
152.04788	2.1
153.05598	1.2
159.04517	2.5
160.05325	4.7
161.02499	3.5
161.04568	1.7
161.05981	1.5
162.03262	12.3
163.04001	6.3
163.07639	0.7
164.04814	7.3
165.01901	1.5
165.05594	35.9
165.12851	1.2
166.02693	0.8
166.05934	2.7
167.10814	1.7
168.00644	0.9
169.01503	3.6
174.03250	1.6
175.07651	3.9
177.05576	11.8
178.06046	1.3
179.03575	3.4
179.05669	0.8
179.07146	1.5
180.04289	26.0
181.04849	1.4
184.03622	0.7
189.05559	2.0
191.07274	1.0
195.06641	59.4
196.07034	3.6
204.04399	0.9
207.06613	2.7
207.14006	3.5
209.11856	5.8
219.06648	0.9
225.00716	1.9
225.14928	7.6
226.15150	0.8
227.12886	36.7
228.13242	3.3
229.82793	0.7
231.06653	1.3
233.11801	1.3
237.07494	0.8
241.32294	0.7
243.12454	0.7
251.12808	2.2
255.03032	1.2
259.11871	1.0
269.13965	5.2
273.20724	1.5
281.06665	40.1
282.07010	3.3
285.03839	1.5
287.15048	10.2
300.99777	0.9
309.09955	5.0
311.15063	0.9
329.16040	1.1
339.11044	1.3
343.13812	1.3
345.13403	10.5
346.13922	1.0
357.11993	3.3
369.11963	1.4
371.17102	1.1
399.12946	1.3
431.19223	5.2
447.14862	1.3
465.17633	2.1
565.22931	2.9
579.24640	1.9
597.25757	11.5
598.25818	1.8
609.25671	11.4
610.26056	1.7
627.26764	100.0
628.27081	25.9
656.79327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.3
58.00600	3.9
59.01379	21.4
60.99306	15.4
61.98833	35.8
65.53065	0.7
67.26469	0.6
69.03442	1.2
69.55492	5.8
71.01385	11.2
72.99323	3.6
73.02939	4.9
75.00867	0.9
78.95906	1.5
80.96501	0.8
83.01393	4.5
85.02946	4.6
87.00888	6.2
87.04540	1.4
88.74225	0.7
88.98814	100.0
89.02454	8.7
89.99138	0.9
93.03440	0.9
95.01398	1.6
96.96016	2.6
97.02991	0.9
97.06551	0.7
99.00877	1.3
99.04507	2.3
101.02463	5.3
105.01948	2.6
106.82722	0.7
107.01398	0.9
108.02180	3.1
109.02943	2.3
111.00902	1.1
113.02451	3.6
116.92850	1.0
119.03546	1.0
119.05040	0.8
121.02912	3.4
121.06600	0.8
122.03753	2.9
123.00876	1.7
123.04520	3.0
124.01685	0.8
125.02453	4.6
129.01910	1.2
131.03493	0.7
131.17412	0.7
135.04524	1.8
135.08101	0.9
136.05338	1.6
137.02425	2.3
137.06070	2.1
138.03214	0.7
139.00359	0.9
139.04092	0.7
139.11206	0.8
141.01906	1.5
145.02983	4.0
146.03795	1.0
147.04520	1.6
148.01733	0.9
148.05252	0.9
149.02461	24.1
149.06024	1.2
150.03244	81.5
151.00453	1.3
151.03612	5.7
151.07623	1.4
152.01112	1.4
153.01816	1.4
153.05569	2.1
161.02463	3.7
161.04555	3.1
162.03250	5.5
163.03918	2.7
163.07547	1.1
164.04816	16.6
165.05586	92.2
165.09193	2.2
165.12863	9.1
166.02762	4.7
166.05902	6.1
169.01442	5.3
170.01816	0.8
177.01918	1.4
177.05522	3.1
178.02634	1.0
179.03432	1.0
179.07042	1.6
179.10683	0.9
180.04303	5.6
181.05072	6.8
183.10272	1.5
187.03934	0.9
189.12885	1.0
191.03603	0.9
193.05034	0.7
195.06638	38.0
195.43347	0.9
196.06918	2.2
204.04239	0.8
207.06606	1.1
207.13896	6.3
208.13962	0.8
209.11842	14.2
210.12181	1.2
221.08171	0.8
227.12883	1.4
233.11807	1.7
243.12477	0.8
251.12827	3.2
269.13818	7.5
269.17407	4.0
287.14917	0.8
309.09793	10.9
310.09973	1.1
327.10727	4.9
339.10574	2.2
352.46246	0.9
357.11661	2.5
369.11868	13.1
370.11981	1.4
375.12369	1.0
387.14420	2.8
399.13254	1.0
410.26276	0.8
413.17975	1.8
417.15543	7.3
418.15924	1.3
429.09702	0.8
435.29523	7.3
436.29718	1.6
465.32187	1.7
466.77881	0.6
485.20145	1.1
522.73761	0.8
561.23517	1.2
565.22589	1.6
567.33600	3.0
579.24487	6.0
580.24982	1.2
591.24219	1.6
609.25751	16.9
610.26324	3.8
627.26379	63.3
628.26611	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	627.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.4
57.17079	0.5
58.00607	0.8
59.01380	78.1
60.01700	1.1
60.99303	1.2
61.98833	15.3
70.16395	0.5
71.01385	6.9
71.05028	0.7
71.76448	0.7
72.99324	0.8
73.02946	5.5
75.00895	1.0
80.96533	1.1
83.01395	4.1
85.02969	2.3
87.00896	2.2
88.98816	4.2
89.02458	3.2
93.03456	0.6
95.01403	0.8
96.96046	1.2
97.02958	0.8
97.06606	1.0
99.00893	0.7
99.04546	1.8
101.02448	6.0
103.00401	1.5
105.01971	2.4
108.02171	1.0
109.06596	2.1
111.00866	0.7
113.02473	3.3
113.57256	0.6
116.92870	1.1
119.03513	0.9
121.02979	1.7
121.06587	1.3
122.03769	1.0
123.00865	0.8
123.04524	0.6
125.02462	2.2
131.19278	0.5
133.03018	0.5
135.04524	0.9
136.07678	0.6
137.02457	1.2
139.11304	1.4
145.02995	3.0
146.03735	1.1
147.04504	1.1
149.02461	0.8
150.03259	2.8
151.00420	0.9
151.03777	0.6
152.01118	0.5
156.18294	0.5
161.02495	2.6
161.04570	0.8
162.03250	21.3
163.03983	3.5
163.07530	0.7
165.05580	3.7
165.12836	2.3
166.05960	0.6
167.10884	0.7
169.01427	2.0
177.05586	13.1
177.09084	0.5
178.05916	0.9
178.35074	0.5
180.04317	3.2
181.05051	0.6
181.12415	0.8
183.10269	2.1
189.12865	1.3
195.06673	6.9
196.06906	0.7
207.13904	13.1
208.14224	1.0
209.11835	8.4
210.12111	0.7
218.05861	0.8
221.11826	0.7
225.11482	0.9
225.14963	12.1
227.12894	45.3
228.13176	3.1
233.11925	0.9
243.12337	1.6
246.82581	0.5
251.13007	3.4
269.13950	12.5
270.14288	0.7
287.14999	100.0
288.15308	7.1
293.13870	1.0
310.10339	0.8
311.14951	1.1
329.16034	7.4
330.16257	0.6
331.24783	1.2
357.11902	1.0
359.17041	5.8
360.17673	0.7
371.17014	1.1
389.18176	24.6
390.18649	2.8
399.12964	0.6
430.17670	0.5
431.18945	1.1
437.30255	0.5
449.20276	47.2
450.20557	4.5
451.32700	0.5
456.96793	0.5
465.17545	3.2
466.18103	0.7
474.16272	0.7
506.19107	1.2
537.25146	0.7
565.23370	0.7
609.25183	3.1
610.25629	0.8
627.26825	26.7
628.26770	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	626.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34272	0.1
61.25434	0.1
61.98831	100.0
62.98538	0.3
71.07965	0.3
75.68272	0.1
78.95926	0.3
152.99615	0.2
250.09819	0.1
301.23761	0.1
393.48318	0.1
447.32919	0.1
626.45673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
61.98832	100.0
70.55568	0.9
78.95915	0.5
96.52127	0.2
98.19973	0.2
103.85258	0.3
152.99646	0.3
229.28883	0.2
309.67120	0.2
343.70184	0.3
575.92322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.0
59.01375	9.9
59.33048	0.9
61.98835	8.8
67.01894	1.0
69.03469	1.2
69.43038	9.7
71.01385	11.7
72.99297	3.7
73.02950	5.0
74.99092	1.4
75.00854	1.1
75.19053	1.0
81.03468	2.0
81.21812	1.0
83.01372	1.5
85.02952	4.5
87.00877	15.3
88.98812	2.3
89.02451	5.8
95.01328	1.2
96.95963	1.1
97.02972	1.4
99.00879	3.5
100.01685	5.0
101.02477	6.0
109.02915	2.1
111.00892	8.6
112.98818	3.4
113.02465	2.5
115.00416	1.4
116.09406	1.0
116.92858	2.1
119.03504	1.8
121.02988	1.8
121.86906	1.1
123.00927	6.6
123.04549	2.3
125.02437	4.5
127.03992	1.8
130.02647	1.3
135.48152	0.9
137.02455	12.5
137.06003	1.2
138.03246	1.4
139.00349	1.0
139.04047	1.6
142.99854	3.3
145.01425	1.3
145.02951	1.4
149.02454	2.3
150.03185	1.3
151.00381	1.9
151.03957	1.3
153.05571	2.2
161.02443	4.6
162.03256	1.2
163.04008	4.8
164.04799	4.0
165.01942	99.8
165.05580	2.5
166.02649	7.5
167.03488	1.8
169.01427	6.3
173.01057	5.9
173.02411	1.8
174.01683	4.4
175.03961	1.3
176.04759	3.8
177.01915	1.5
177.05507	1.6
179.03516	20.8
179.05753	1.6
179.07062	7.0
180.04300	62.8
181.03447	1.5
181.04964	10.5
191.03505	3.8
191.07123	2.1
193.05095	1.3
193.08759	3.0
194.05852	8.6
195.02974	3.3
195.06631	90.8
196.06924	6.0
205.05055	3.8
206.02164	1.2
206.05814	2.4
207.06454	1.6
209.08215	5.9
210.05331	18.5
211.02518	1.3
211.05965	3.0
219.02991	4.1
219.06596	2.4
220.07507	1.1
221.08206	2.9
225.07686	53.9
226.07948	2.7
234.05206	1.8
237.07524	1.6
247.02470	3.3
249.04224	1.6
249.07680	3.8
261.04010	1.3
262.04852	5.7
264.06354	3.2
265.07239	5.5
276.06335	1.6
277.07166	11.3
278.07510	1.4
295.08139	1.8
337.09308	37.3
338.09534	4.1
355.10303	1.2
357.13351	2.0
369.24899	1.2
400.10025	1.7
491.15524	16.9
492.16580	1.6
503.16016	1.5
521.16718	3.8
563.18488	1.7
609.18402	14.2
610.18835	2.5
627.19373	100.0
628.19879	17.7
634.38879	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.1
57.03447	3.6
58.00587	1.0
58.18757	0.4
59.01382	41.2
59.20509	0.5
59.52088	0.5
60.01713	1.6
60.99299	0.6
61.01792	1.0
61.98833	90.6
62.98537	0.6
69.03467	1.4
69.51397	1.9
69.51816	4.2
71.01386	41.6
72.01734	1.0
72.99323	3.7
73.02952	15.2
75.00898	1.5
78.95901	2.9
79.44482	0.5
81.03455	0.8
83.01392	8.8
85.02959	21.9
87.00898	3.3
87.04543	0.8
88.98817	4.1
89.02457	10.5
91.00446	0.7
95.01381	5.1
96.96046	0.7
97.02968	2.3
99.00901	6.4
99.04465	0.7
99.92608	2.1
101.02456	30.7
102.02816	0.6
107.65074	0.5
108.02221	1.0
109.02969	0.9
111.00888	5.7
113.02464	17.7
116.92883	25.7
117.01926	1.2
117.92912	1.2
119.03500	3.0
119.05042	0.6
121.02938	0.7
122.03806	0.7
123.00922	1.3
123.04565	0.7
125.02451	3.7
129.01967	1.8
131.03496	1.0
133.29585	0.6
135.04575	1.7
136.01694	1.9
137.02440	0.8
137.06073	0.9
139.00386	0.6
141.01920	0.8
143.03560	1.1
145.02922	0.6
149.06175	0.6
150.03215	0.9
151.00522	0.7
151.04021	2.4
152.04425	0.7
152.99629	1.9
153.01952	0.6
153.05627	0.6
159.03004	3.2
161.02435	0.6
161.04570	5.4
163.11363	0.5
165.05589	1.7
169.01454	2.1
176.34195	0.6
177.01949	0.6
179.05673	1.0
181.12445	0.7
193.05031	1.3
207.06580	1.5
209.11850	2.3
227.12834	0.8
235.87764	0.6
239.12985	0.6
255.15970	0.6
261.59259	0.6
262.65448	0.6
271.22830	0.6
283.10303	0.6
297.11655	0.7
301.27518	0.6
303.85742	0.5
327.21454	0.6
345.26389	1.1
346.21738	0.5
359.28027	6.0
402.16309	1.0
403.16629	0.8
433.28049	37.5
434.28452	4.8
445.29593	0.6
463.32755	10.8
464.33359	0.8
493.33206	0.7
565.32324	20.1
566.32465	3.0
625.38220	100.0
626.29407	1.7
626.38641	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34689	0.5
55.01882	2.4
57.03449	3.7
58.00582	1.7
59.01085	1.3
59.01381	26.4
61.98832	39.2
68.99845	0.8
69.03439	1.4
71.01388	32.5
71.38046	0.5
72.99314	2.6
73.02955	12.6
75.00871	1.5
78.95927	1.3
81.03448	1.6
83.01398	6.7
83.05038	0.8
85.02962	21.6
86.00108	0.6
87.00896	2.4
88.98811	4.0
89.02459	8.7
93.03455	1.2
95.01404	5.8
96.96026	0.7
97.02966	2.1
97.06618	0.9
99.00894	5.7
99.92601	2.0
101.02459	27.9
102.02782	0.9
105.01928	0.6
108.02189	65.4
109.02985	34.7
110.03288	1.3
111.00896	5.8
113.02473	12.4
116.92880	17.7
117.01938	0.6
117.05578	0.5
117.92871	1.0
119.03506	1.4
119.04998	0.8
121.02998	1.1
122.03729	0.9
123.00922	3.3
123.04535	1.1
125.02445	3.4
129.01956	1.4
131.03493	1.6
135.04538	0.9
137.02454	0.6
137.09793	0.6
141.01938	0.7
143.03502	1.6
145.02953	0.6
149.04527	0.5
149.06100	0.8
151.00371	0.6
151.04018	1.1
152.01178	61.1
153.01971	18.7
154.02313	0.6
159.03011	2.1
161.04579	4.1
163.04022	1.8
164.31682	0.6
165.01996	0.9
165.12808	0.9
169.01421	1.1
171.10237	1.7
177.01959	0.7
178.86794	0.6
183.13956	0.9
193.05075	1.1
209.11865	3.4
211.13383	3.5
213.06705	0.5
227.12779	1.1
229.14502	3.0
256.03409	0.5
271.02335	1.0
291.19583	0.7
300.02707	1.1
301.03088	1.1
301.27661	0.6
315.04999	1.6
316.05307	2.5
317.05597	1.9
327.21802	6.4
328.22006	0.6
359.27933	2.3
397.13376	0.6
415.14621	0.7
433.28076	33.1
434.28510	4.8
463.32623	5.5
464.33029	0.8
490.98584	0.6
565.23431	1.2
565.32361	25.8
566.32758	5.7
625.28607	100.0
625.38226	59.9
626.28973	22.2
626.38562	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	625.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12490	0.4
55.01885	0.7
55.05554	0.4
56.53713	0.4
57.03444	1.5
58.00600	1.8
59.01380	22.4
60.01718	0.4
60.99293	0.9
61.98833	15.1
69.03452	1.9
70.42101	0.4
71.01387	15.0
72.99319	1.3
73.02947	3.0
74.90378	0.3
75.00873	1.3
81.03448	0.5
83.01391	2.6
83.05035	0.9
85.02965	3.7
87.00891	4.9
88.98820	3.0
89.02451	10.8
95.01401	1.5
96.95982	0.6
97.02971	1.6
99.00887	0.8
101.02457	11.3
107.05058	1.4
108.02164	0.5
109.02956	0.5
109.06590	0.4
111.04517	0.6
111.08157	0.7
113.02454	5.7
116.92859	1.1
117.62741	0.3
119.03512	2.6
120.05814	0.8
121.02986	1.0
122.03757	0.8
123.00920	0.6
123.04570	0.6
125.02478	3.7
129.01962	0.4
131.31290	0.4
133.05014	0.5
135.04587	0.8
135.08214	0.5
137.02425	0.8
137.09749	0.8
143.03523	1.1
145.02979	0.9
149.02469	3.4
150.03250	18.4
151.00319	0.4
151.03693	1.1
152.04710	0.4
152.30836	0.4
152.74083	0.4
155.49315	0.4
161.02481	1.0
161.04634	2.2
161.09767	4.0
161.13390	1.8
162.03265	0.8
163.04021	0.5
163.07689	0.4
163.11333	1.0
164.04822	2.1
165.05600	21.5
165.12865	9.3
166.05920	1.2
166.13208	0.7
169.01439	1.3
177.05573	0.5
179.05632	1.0
179.10826	0.7
180.04253	1.1
181.05054	0.6
181.08739	0.6
183.06679	1.8
183.13928	67.4
184.14297	4.8
187.11368	4.6
189.09212	2.8
195.06664	7.0
197.11862	0.4
203.10886	0.5
205.12296	1.9
207.10297	1.0
209.11855	0.9
221.06677	1.1
227.12909	9.7
228.13231	0.9
235.08253	1.0
249.11343	2.4
253.09206	0.7
267.12411	1.5
267.16028	2.8
268.16260	0.5
299.02155	0.7
309.09814	0.6
327.10791	1.1
397.13510	4.5
411.16415	0.6
415.14749	1.8
562.25940	0.5
563.21167	0.5
577.22974	1.1
607.24219	2.2
608.24561	0.7
625.27087	100.0
626.27472	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	625.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03444	0.7
57.23956	0.2
58.00591	1.0
59.01383	21.0
61.98834	5.4
63.19679	0.2
69.03457	0.7
69.42477	0.5
69.42880	2.6
71.01389	14.7
71.05038	0.3
71.24696	0.3
72.01714	0.4
72.99316	1.2
73.02953	2.9
74.99100	0.4
75.00884	0.7
80.02692	1.5
81.03472	1.8
83.01388	2.0
83.05042	5.8
84.02180	1.1
85.02962	3.8
87.00878	3.3
88.98811	1.4
89.02460	13.2
91.03995	0.2
93.03471	0.7
95.01392	1.2
95.05051	0.8
96.95963	0.3
97.02963	2.0
99.00908	1.0
99.04566	0.4
101.02460	11.2
103.00394	0.4
108.02216	0.4
109.02960	0.7
109.06582	0.3
111.00921	0.7
111.04536	0.5
113.01679	0.3
113.02473	6.3
114.56460	0.3
115.04067	0.3
116.92863	0.4
119.03528	4.4
120.99697	0.3
121.02961	0.8
123.00883	0.3
123.04551	0.3
125.02460	4.7
125.06098	0.7
127.04003	0.3
131.03514	1.0
133.05101	0.4
135.04562	0.5
135.08192	0.7
137.02454	1.1
137.09721	0.3
141.02084	0.4
143.03534	2.2
149.02351	0.3
149.04605	0.5
151.00398	0.9
151.03976	0.4
153.01982	0.4
161.04585	3.2
163.04095	0.3
163.11298	4.5
164.11609	0.5
165.12871	3.1
166.02728	0.4
167.03502	0.4
169.01424	0.8
169.05077	0.3
178.99910	0.4
179.03642	0.3
179.05641	2.9
181.12346	0.8
191.10771	1.1
195.06631	0.5
203.05638	0.3
206.99367	0.8
209.11844	100.0
210.12178	6.0
221.06685	1.1
222.01666	0.5
225.15111	0.3
226.06236	0.4
227.12898	19.8
228.13187	1.5
233.11852	0.3
235.08228	4.1
237.04013	0.9
251.13150	0.3
253.09241	1.9
255.10255	0.6
255.40404	0.3
263.07730	0.6
269.13916	0.4
271.02484	0.4
281.06580	0.4
287.07755	0.8
287.15060	0.9
300.99927	1.0
301.03534	1.5
305.08948	1.1
317.38156	0.3
323.09836	0.8
343.11563	0.3
379.12512	0.2
397.13535	33.4
398.13818	2.7
403.13983	1.0
415.14581	18.7
416.14761	1.4
477.06656	0.9
491.20886	0.4
535.20355	2.0
607.25439	0.6
625.14838	0.4
625.25873	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	625.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
55.43617	0.3
57.03436	1.0
58.00574	0.8
59.01381	26.3
60.01705	0.5
60.99283	0.5
61.48691	0.3
61.98832	3.4
69.03461	0.9
69.96297	0.4
71.01384	18.7
71.05007	0.4
71.67502	0.6
72.99310	2.0
73.02961	4.6
74.99124	0.4
75.00879	0.9
80.02679	1.2
81.03469	2.5
83.01402	2.6
83.05028	5.5
84.02164	1.5
85.02958	5.3
87.00880	4.4
88.98809	1.9
89.01907	0.8
89.02452	13.8
93.03452	1.3
95.01380	1.5
95.05009	1.4
97.02967	2.3
99.00904	1.1
99.04536	0.5
101.02457	13.6
102.02792	0.4
105.01927	0.8
109.02959	0.7
109.06557	0.5
109.43122	0.3
111.00897	1.1
111.04510	0.9
111.08132	0.4
112.82278	0.4
113.02457	6.8
116.92874	0.7
118.98678	0.3
119.03509	5.0
120.99648	0.7
121.02954	0.7
123.00887	0.8
123.04582	0.4
125.02464	6.0
125.06046	0.9
128.03477	0.4
131.02654	0.4
131.03493	2.2
135.08145	0.5
136.99184	0.9
137.02467	0.6
139.04045	0.8
140.63440	0.4
141.01912	0.6
143.03528	2.5
145.02948	0.5
147.11778	0.5
149.02411	0.6
149.04556	0.5
151.00397	0.6
153.01970	0.6
161.04572	3.9
163.11319	5.5
165.05530	0.5
165.12814	2.5
166.13213	0.5
169.01451	1.0
173.04593	0.6
173.08276	0.5
175.04008	0.4
175.06108	1.1
176.01108	1.1
179.05602	3.4
181.12334	1.2
191.03496	1.4
191.10805	0.9
194.08054	0.5
195.06499	0.5
199.13544	0.4
203.03595	0.4
203.05597	0.4
207.13986	0.7
209.11838	100.0
210.12163	8.0
217.07175	0.5
221.06706	0.7
225.11351	0.4
225.14929	1.2
227.12892	24.2
228.13232	2.1
235.08241	3.7
245.06506	0.5
251.09250	0.7
253.09242	1.8
263.07877	0.5
269.13934	1.5
287.07825	1.4
287.15005	4.0
299.99060	0.5
300.02582	0.6
300.99948	1.7
301.03278	0.6
305.08789	1.3
323.09729	0.6
345.22372	0.4
355.12387	0.6
379.12518	0.5
389.18365	0.6
397.13516	32.5
398.13971	4.0
403.14026	0.8
415.14590	18.6
416.14905	2.0
449.20425	1.5
474.89545	0.4
475.21979	0.8
491.21384	0.4
551.23523	3.0
565.28326	0.7
604.40521	0.4
607.26056	2.6
608.26184	0.6
625.27246	17.8
626.27582	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47821	0.5
58.00606	0.7
59.01375	7.1
60.99299	1.4
61.98828	4.2
63.02399	1.4
64.07588	0.5
65.00338	2.5
69.03466	0.6
69.79494	3.8
71.01389	6.9
72.99326	2.5
73.02955	2.3
74.99120	1.6
78.95914	0.7
83.01401	2.8
83.05024	0.7
85.02968	3.6
87.00892	2.1
88.98810	7.0
89.02440	3.3
89.90909	0.6
92.88342	0.5
93.03444	1.0
95.01408	1.3
96.95978	0.9
99.00936	1.4
101.02454	3.1
107.01408	7.1
108.02199	0.7
109.02996	1.7
111.00928	1.2
113.02452	4.6
115.00433	1.0
116.92914	0.7
119.03512	1.2
120.99672	0.6
121.02986	8.4
122.06067	0.5
123.00905	1.2
123.04583	0.7
124.01685	0.9
125.02451	5.7
128.96693	0.6
129.01981	0.7
131.03534	2.0
131.11317	0.5
131.99983	0.6
135.04564	0.6
136.99203	1.4
137.02477	2.3
143.03522	0.7
145.02940	0.7
148.01634	0.8
149.02469	1.5
150.03212	1.1
151.00389	29.0
151.04025	0.7
152.00851	0.7
159.04475	0.7
161.02490	1.1
161.04518	0.8
163.00407	2.3
163.04002	0.7
164.01129	1.2
165.01874	1.0
165.05554	1.7
167.03520	1.1
169.01411	6.1
173.02357	0.6
175.02527	4.1
176.01222	0.6
177.01996	1.0
178.02359	0.7
178.99870	16.2
179.05579	0.6
181.08836	0.5
183.04556	0.6
183.10255	0.7
187.04022	0.7
189.02045	0.8
191.03566	0.7
192.00687	1.0
193.01442	3.7
193.03566	1.5
199.04025	2.0
203.03502	1.4
204.04248	0.6
205.01407	2.2
209.04530	1.5
209.11853	5.0
211.04022	0.9
215.03528	1.0
217.01474	0.6
227.03490	2.4
227.12917	2.9
231.02916	1.1
243.02977	7.5
245.04524	0.9
249.04056	2.1
254.02151	0.9
255.02962	15.2
256.03427	1.6
271.02435	29.8
272.02948	3.0
273.03967	1.9
275.01816	0.8
283.02557	1.2
299.01965	16.2
299.04947	0.6
300.02737	65.7
301.03491	73.7
302.00665	1.1
302.03879	6.8
313.05786	1.1
325.07040	0.7
376.18054	0.6
387.10950	1.7
397.13391	1.2
413.08817	1.5
415.14777	0.8
441.16098	0.7
462.07928	2.4
463.08789	100.0
464.09137	12.9
544.29541	0.6
563.14032	2.7
577.22882	0.9
589.12061	1.4
593.11597	1.0
625.14178	31.1
625.25549	3.5
626.14331	6.3
626.23132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03441	0.8
58.00591	1.1
59.01380	22.8
60.01709	0.3
60.76530	0.2
61.98833	4.1
63.53167	0.2
69.03459	1.1
71.01387	16.4
71.45319	0.5
72.01745	0.3
72.99313	1.0
73.02950	2.9
75.00893	0.4
80.98310	0.2
81.03458	0.6
83.01396	1.7
83.05006	0.3
85.02957	3.3
87.00891	3.0
87.31857	0.2
88.98801	0.8
89.02455	12.7
91.11584	0.2
95.01405	0.9
97.02962	2.2
97.06612	0.5
99.00900	1.2
101.02457	12.0
102.02811	0.3
104.03545	0.2
110.98019	0.2
111.04542	0.4
111.08183	1.2
113.02479	5.6
113.15987	0.2
119.03516	3.0
121.57336	0.3
123.34676	0.3
124.01694	0.3
125.02475	3.2
131.03563	0.8
133.05078	0.4
139.03978	0.4
141.02002	0.3
143.03523	0.9
161.04564	1.8
165.12869	11.3
166.13235	0.5
179.05634	0.8
183.13921	71.8
184.14256	4.3
209.11829	0.8
221.06604	1.4
227.12880	9.1
228.13199	0.6
235.08220	1.5
253.09271	0.8
288.02829	0.3
301.03561	0.6
301.16568	0.3
397.13507	4.4
398.13959	0.4
400.41187	0.3
415.14651	2.7
416.15305	0.5
470.52875	0.3
565.32239	0.4
607.26135	0.6
625.27234	100.0
626.27563	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	625.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95921	0.5
56.81304	0.4
59.01385	3.2
61.98827	2.1
63.02423	0.5
65.00337	1.3
71.01375	2.7
73.02955	0.6
74.99109	0.7
83.01387	0.5
85.02921	0.5
87.00895	0.7
89.02457	1.9
101.02432	1.0
104.70694	0.4
105.01972	0.8
107.01442	1.3
108.02218	2.2
113.02470	0.5
121.02972	1.3
125.02461	1.1
131.03534	0.6
135.00917	0.8
136.99147	0.5
148.01695	1.7
149.02441	0.5
151.00398	8.1
152.00967	0.4
163.00421	1.1
165.02072	0.4
169.01422	1.8
178.99873	5.3
191.05713	0.8
192.00580	0.5
193.01471	0.7
199.03995	0.7
201.52528	0.4
209.04492	0.6
211.03835	0.5
215.03581	0.6
226.02754	1.5
227.03458	2.6
227.12791	0.9
243.02965	10.1
244.03389	1.0
245.04428	0.5
254.02242	2.1
255.02980	26.8
256.03333	2.8
269.04120	0.6
271.02469	59.2
272.02902	6.4
273.03836	0.7
299.01947	1.7
300.02756	100.0
301.03333	19.3
302.03873	0.9
315.33450	0.5
445.07703	0.9
463.09039	3.3
530.99408	0.5
563.14301	0.6
625.14215	75.1
626.04144	0.8
626.14526	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	625.1212
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
53.15994	0.4
53.20961	0.4
53.51649	0.5
54.08815	0.5
56.44909	0.5
59.01384	6.1
60.99306	0.7
61.98835	14.9
65.00327	1.8
65.08433	0.5
66.61134	0.5
70.00578	0.5
71.01394	3.0
71.24858	1.4
73.02947	1.2
83.01385	2.3
85.02935	1.3
86.88180	0.6
87.00879	1.6
88.98810	5.1
89.02430	2.5
96.96012	0.6
101.02438	1.3
102.98601	0.8
107.01397	3.2
108.02218	1.1
109.02940	2.0
113.02489	0.7
116.92854	1.4
119.03535	0.9
120.99662	1.4
121.02967	2.1
123.00883	0.7
124.01677	2.3
125.02448	2.9
127.55635	0.5
133.02960	1.8
135.00873	1.2
135.04550	1.3
136.01697	1.2
137.02495	3.4
145.02890	0.7
148.01764	0.6
149.02457	1.8
150.03253	1.5
150.87474	0.5
151.00385	14.4
151.03998	0.9
152.01108	1.1
153.01944	0.6
153.79179	0.6
161.02469	4.6
163.00389	3.7
163.04005	1.2
164.01163	2.3
165.01933	0.7
169.01456	4.1
177.01991	0.7
177.05566	0.7
178.98381	0.8
178.99872	11.5
179.03455	1.0
183.10344	0.6
185.02475	0.6
187.03986	0.8
188.04771	0.6
189.01825	0.7
190.99792	0.8
192.00699	0.9
195.06590	1.0
199.04005	1.3
203.03479	1.4
205.04951	0.6
211.02376	0.6
214.02716	7.2
215.03387	1.5
216.04323	0.8
227.03514	2.5
227.12976	0.7
229.05119	0.6
231.03052	0.7
232.03635	1.1
242.02235	5.1
243.02950	9.1
244.03680	0.6
245.04550	0.6
254.02307	1.0
255.02965	12.5
256.03311	0.8
259.02417	5.9
260.02814	1.0
261.13385	0.5
270.01617	7.8
271.02460	62.9
272.02875	5.9
283.02271	1.0
287.01978	23.7
288.02451	3.9
299.01898	1.6
300.02756	54.6
301.03485	29.4
302.03912	2.0
315.01352	1.1
316.02237	100.0
317.02872	19.4
318.03275	0.8
323.07828	0.9
336.82755	0.5
345.13373	1.1
357.13370	0.8
376.51242	0.6
403.26968	2.4
463.08798	36.0
464.09177	4.1
475.19656	0.6
479.08270	23.8
480.08673	2.8
563.23370	1.1
565.32599	2.7
621.92871	0.6
624.38818	0.5
625.12140	95.5
626.12427	17.5
626.22632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98830	1.0
65.00329	0.7
69.96499	0.4
69.96802	2.2
70.58414	0.3
71.01389	0.7
74.62432	0.3
79.95712	0.3
83.01390	0.6
87.00866	0.4
96.45423	0.3
96.96019	9.0
101.02466	0.5
107.01409	1.9
108.19966	0.3
109.02957	1.2
114.96113	0.3
116.19112	0.3
121.02962	1.3
125.02439	1.2
133.03015	0.8
135.00926	0.4
137.02434	0.5
139.04076	0.4
147.00888	0.5
149.02507	0.5
150.03154	0.3
151.00395	7.2
152.00784	0.4
163.00464	0.8
163.04013	0.4
165.01959	0.5
169.01506	1.9
171.04460	0.9
175.00433	0.8
175.04004	1.0
177.05579	0.7
178.99869	1.5
187.03999	0.8
199.03987	3.0
201.01964	0.7
201.05716	0.4
203.03487	0.8
215.03467	1.6
221.04549	0.5
226.02725	0.9
227.03450	2.9
229.05022	0.4
231.03073	0.4
242.02165	0.4
243.02963	4.9
254.02254	0.8
255.02991	2.4
271.02463	53.6
272.02844	4.4
281.47208	0.4
282.01624	0.7
299.01971	100.0
299.99048	1.3
300.02539	18.5
301.03522	45.7
302.03949	3.4
313.03323	0.7
343.04593	1.4
375.11530	0.5
462.08051	21.1
463.08813	33.7
464.09158	3.1
505.09918	1.3
527.13916	0.8
625.14233	85.6
626.14606	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	624.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
70.28504	0.2
90.06320	0.1
90.53452	0.2
97.78877	0.1
98.19836	0.3
178.57738	0.2
229.86320	0.2
255.23233	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
61.98833	100.0
69.78654	0.2
69.79068	0.6
86.04135	0.1
98.19884	0.1
112.62492	0.1
125.90511	0.1
176.05830	0.1
196.78795	0.1
197.45551	0.1
473.74060	0.1
484.58234	0.1
502.31161	0.1
537.37549	0.1
563.14264	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	625.1215
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
59.01381	7.1
60.62828	0.5
60.99329	0.6
61.98833	21.8
63.02401	0.6
65.00333	1.7
68.99812	0.5
69.56924	0.6
69.57230	1.2
69.57996	4.5
71.01379	4.1
73.02950	1.4
83.01403	1.6
84.95123	0.7
85.02969	1.0
87.00895	1.6
87.04546	0.6
88.98820	7.0
89.02445	2.1
93.03483	0.5
95.01438	0.9
97.06563	0.6
101.02465	3.0
102.98595	1.4
107.01417	4.1
109.02967	1.9
113.02438	1.6
116.92866	1.6
119.03501	1.2
120.99678	1.8
121.02982	2.1
123.00898	0.9
124.01662	2.5
125.02459	3.1
131.03502	0.6
133.02994	1.0
135.00963	1.0
135.04555	1.6
137.02473	2.4
137.09642	0.5
145.02922	0.8
148.01686	1.1
150.03229	0.9
151.00389	15.5
152.01120	1.0
161.02467	4.7
161.04559	0.7
163.00438	3.2
164.01192	2.6
165.01912	0.8
168.00633	0.7
169.01480	4.6
177.05370	0.7
178.99873	11.0
179.03522	1.0
180.00237	0.6
183.04471	0.7
187.03981	0.7
190.99910	0.9
192.00650	1.0
193.01273	0.7
195.06682	1.2
199.03966	0.8
203.03468	1.4
204.04228	0.9
214.02721	6.8
215.03392	1.6
219.03236	0.6
226.02744	1.0
227.03589	1.9
227.12852	0.8
229.05128	0.8
232.03815	0.9
242.02199	6.2
243.02936	7.7
244.03459	1.3
245.04601	0.8
254.02126	1.3
255.02979	14.5
256.03345	1.4
259.02460	6.8
270.01642	6.0
271.02457	65.5
272.02872	7.3
273.04056	1.2
283.02280	0.8
283.05133	0.7
287.01981	23.2
288.02380	3.7
299.01968	1.7
300.02768	59.1
301.03476	32.2
302.03867	2.1
315.01685	0.6
316.02255	97.2
317.02798	19.5
318.03314	1.6
323.07416	0.7
343.11868	0.9
345.13049	0.6
403.26935	2.8
463.08798	39.9
464.09283	5.5
479.08325	22.6
480.08539	3.7
563.23401	2.9
565.32208	4.2
566.32098	0.7
625.12128	100.0
626.12549	22.8
626.22375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03452	1.4
59.01381	10.6
60.99309	5.2
61.98832	31.8
62.96448	0.5
64.49412	0.4
66.29139	0.5
68.99880	0.4
70.96615	1.4
71.01390	7.7
72.41168	0.6
72.99311	1.2
73.02962	3.3
75.00890	0.7
78.95911	100.0
80.02689	1.6
81.03463	1.8
83.01398	1.3
83.05032	7.2
84.02186	1.2
85.02959	2.8
87.00891	1.5
88.98816	30.6
89.02452	5.3
93.03454	0.7
95.01421	0.5
95.05044	1.3
96.96049	0.6
96.96977	9.1
97.06627	0.6
98.73258	0.4
99.00869	1.1
99.04537	0.9
101.02454	4.8
109.06628	1.2
111.00935	0.5
111.04520	0.5
113.02448	2.6
113.33157	0.4
116.92890	4.2
119.03493	1.1
119.04988	0.6
119.94553	0.4
120.99642	0.6
121.02978	0.6
123.00936	0.9
125.02486	2.5
125.06116	0.8
131.03519	1.5
134.98560	1.2
135.08171	1.0
137.02542	0.7
137.09689	0.5
145.02979	0.6
149.04570	0.8
150.98042	0.7
152.99609	55.6
153.99901	1.0
161.04564	1.2
161.09776	0.6
163.11317	5.7
164.11572	0.5
165.12892	4.4
168.00665	0.6
169.01434	2.1
171.00650	1.1
181.12349	1.4
191.10744	1.3
207.10268	1.7
209.11845	99.8
210.12155	6.9
225.11328	1.4
227.12912	9.4
243.12317	0.5
254.47511	0.5
255.15987	2.6
269.13806	0.9
283.04678	0.5
311.41888	0.4
325.10934	0.6
357.26501	0.8
363.12128	26.7
364.12463	2.2
381.13251	7.6
382.13376	0.7
395.14789	6.8
413.15811	1.6
431.26486	9.6
432.26614	0.9
443.27768	0.5
473.16058	1.0
563.30688	3.3
587.23346	2.6
591.25751	46.2
592.26129	7.1
623.28119	37.1
624.28619	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	624.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
59.01377	1.2
61.98830	100.0
62.98524	0.2
63.97537	0.1
71.01379	1.1
71.70694	0.2
72.99329	0.1
78.95898	0.4
83.05043	0.1
85.02956	0.5
86.03375	0.1
87.00895	0.2
88.98837	0.3
89.02473	0.6
99.00881	0.1
101.02473	0.6
109.03031	0.2
113.02470	0.4
116.92879	0.1
119.03537	0.2
123.04559	0.2
137.02486	0.2
152.13809	0.1
152.99580	0.2
161.04602	0.5
163.11295	0.3
165.02046	0.2
171.10300	0.4
183.13962	0.3
185.35999	0.2
187.33650	0.2
197.10052	0.1
197.11823	3.5
207.10362	0.3
209.11838	3.4
209.13686	0.2
211.13528	0.3
225.11412	0.2
231.18082	0.2
232.35864	0.1
235.13411	0.2
253.09380	0.2
339.16156	0.2
361.34839	0.2
401.30627	0.2
407.24185	0.2
419.32266	0.2
433.20746	0.2
463.21396	0.6
463.30399	1.5
492.36490	0.2
493.31921	0.2
607.31720	0.5
624.25171	0.7
625.27661	0.7
625.37354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
57.03452	0.6
59.01382	100.0
60.01704	1.2
60.99305	0.6
61.98834	17.7
62.66476	0.2
69.03447	0.2
69.62466	0.6
69.62876	1.2
71.01387	6.2
72.99323	0.8
73.02957	2.3
75.00883	3.2
78.95911	0.9
83.01402	1.1
85.02966	2.0
85.06586	0.3
87.00917	0.5
88.98815	4.6
89.02457	4.2
95.01418	0.4
96.96017	0.5
97.02978	0.3
99.00900	0.8
101.02454	4.0
108.02182	0.5
109.03062	0.3
113.02473	2.1
114.93437	1.0
115.00413	0.4
116.92904	1.2
117.05599	0.5
119.03540	0.6
123.00961	0.3
123.04566	0.3
125.02501	0.9
131.03558	0.7
131.20644	0.2
136.01685	16.3
136.99132	0.3
137.02095	0.5
139.00325	0.2
143.03577	0.4
145.03003	0.4
149.06018	0.2
151.04036	23.9
152.04399	1.1
152.99637	0.3
159.03134	0.2
161.04579	2.3
163.11278	0.2
165.05669	0.4
169.01440	0.6
179.05688	0.3
181.05089	0.4
181.08752	0.4
187.11366	0.2
207.10291	0.4
209.11855	0.4
225.11359	0.4
227.12852	0.4
233.08247	0.7
271.02402	0.2
283.10312	2.1
289.07104	0.3
300.02963	0.4
305.46643	0.2
315.05075	0.6
342.25662	0.2
343.24881	0.3
357.26465	1.3
368.22931	0.2
375.27802	0.2
401.16083	16.9
402.16507	2.1
431.26569	3.1
432.27173	0.5
505.34021	0.7
563.30695	1.3
587.30066	0.2
623.26660	1.7
623.35834	2.1
624.26160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79038	0.2
56.70873	0.2
57.03456	0.6
59.01381	17.1
60.99310	0.3
61.98832	7.4
69.03452	0.4
71.01385	4.4
71.20509	0.2
71.20832	0.4
72.99312	0.5
73.02953	5.5
75.00904	0.2
83.01400	7.0
85.02966	1.2
87.00925	0.3
88.98801	1.4
89.02438	1.2
95.01402	0.4
96.45267	0.2
96.96029	0.8
97.02954	0.2
97.06621	0.5
97.65675	0.2
98.95621	0.6
99.00883	0.3
99.04509	0.3
101.02457	4.0
104.02694	6.3
105.03040	0.3
107.05040	0.3
109.06586	0.3
111.00873	0.3
113.02483	1.3
116.31027	0.2
116.92886	0.6
117.92833	0.3
119.03532	0.4
119.05053	0.4
120.02194	0.5
123.00917	0.7
123.04507	0.3
125.02470	1.6
131.03490	0.6
137.02470	0.3
143.03513	0.4
147.04443	0.2
148.01694	10.1
149.02072	0.4
149.09752	0.3
150.03230	0.4
161.02472	0.8
161.04568	0.5
165.12820	0.3
167.10831	1.8
169.01480	0.4
176.01164	89.3
177.01517	5.1
179.03458	1.4
180.00716	0.3
191.03514	100.0
192.03845	6.1
193.04970	0.3
207.13863	1.1
209.11877	1.5
219.17937	0.2
225.14970	2.4
226.15314	0.3
227.12900	9.2
228.13240	0.6
233.11833	0.9
251.12903	1.1
267.11041	0.3
269.13913	4.3
287.14984	10.3
288.15292	1.0
299.08386	0.3
311.14984	1.0
317.13980	0.3
327.21512	0.4
327.72247	0.3
329.16144	1.5
335.15179	0.3
353.16025	0.7
371.12509	0.4
371.17053	2.3
395.89941	0.3
401.16510	0.3
413.17902	0.4
431.19235	14.2
432.19513	1.8
560.27979	0.4
563.30902	0.3
623.23633	4.2
624.23999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
58.75614	0.4
59.01118	0.7
59.01383	6.3
60.99323	0.8
61.98833	15.6
63.02406	1.3
65.00327	1.3
67.53745	0.4
69.42867	5.2
71.01393	3.5
73.02959	1.2
78.95927	2.4
83.01394	1.8
85.02947	1.1
87.00880	0.8
88.98819	4.4
89.02467	2.4
95.01435	0.7
99.00944	0.6
101.02457	2.7
102.77771	0.5
107.01410	3.0
108.02211	1.1
109.02974	0.7
111.00824	0.6
113.02460	1.6
115.00443	0.5
116.92877	2.7
117.03487	5.1
119.03538	0.9
119.05050	4.8
120.99667	0.5
121.03019	0.6
125.02464	1.6
135.04559	0.6
145.02971	17.0
146.03389	0.7
148.01805	0.5
149.72319	0.5
151.00391	8.9
151.03999	0.5
159.04506	0.8
161.04579	0.9
163.00395	0.7
163.04077	2.9
164.01094	0.9
165.05592	0.5
169.01439	2.2
169.02838	0.5
171.04556	1.2
175.02538	1.1
175.04059	0.6
178.99911	0.5
181.05122	0.5
182.03714	0.5
183.04509	2.1
185.02386	0.8
187.04037	1.3
189.01959	0.5
191.03505	2.3
193.05067	1.6
197.11896	0.6
198.03246	0.6
199.04048	6.2
201.01927	0.9
202.02742	0.5
203.03450	0.8
209.11768	0.9
211.04070	1.1
211.05959	0.7
215.03458	2.8
222.43486	0.5
226.02603	0.7
227.03508	7.5
228.03943	0.8
242.02242	3.7
243.02972	27.9
244.03513	3.4
254.02255	1.1
255.02972	20.2
255.05673	1.1
256.03397	1.9
257.04532	2.8
259.06155	0.8
270.01675	3.4
271.02469	48.8
272.02914	6.4
284.03226	0.6
285.04022	6.3
286.04684	3.2
287.05536	2.8
289.18604	0.6
299.01987	57.3
300.02716	44.7
301.03110	3.3
307.08206	7.4
314.04321	39.6
314.08228	0.6
315.05087	100.0
316.05472	9.1
318.40320	0.5
327.21753	0.7
357.06216	0.8
431.26630	0.8
477.10193	2.1
478.10754	0.8
623.14191	90.3
623.24628	3.6
623.35516	3.7
624.14545	20.6
624.25275	1.3
624.35889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90138	0.7
61.98833	100.0
63.00550	0.8
70.57520	2.2
70.75956	0.7
75.00974	0.7
78.95927	0.8
85.07219	0.9
137.24571	0.7
148.68509	0.7
195.67801	0.8
256.23706	1.1
265.42160	0.7
332.59363	0.7
622.38757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.142
Annotation	Isorhamnetin 3- (6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
59.01377	2.0
61.98832	4.2
63.02397	0.7
65.00333	1.4
71.01394	1.4
72.99262	0.3
73.02937	0.5
83.01382	1.3
85.02965	0.3
87.00869	0.3
88.98815	1.0
89.02464	0.8
99.00853	0.3
101.02459	1.0
101.03985	0.6
107.01399	2.3
108.02237	0.7
113.02491	0.7
117.03478	4.0
119.05045	4.5
124.01669	0.5
125.02461	1.0
135.00883	0.5
136.14308	0.3
143.05069	0.3
144.18541	0.3
145.02980	16.6
146.03322	0.5
147.00943	0.6
148.01665	0.8
151.00395	8.2
155.05054	0.8
163.00427	1.1
163.04050	3.2
164.01163	0.9
169.01466	1.3
169.02928	0.6
171.04529	0.8
175.03947	0.5
176.01178	0.7
178.99884	0.7
183.04559	1.9
185.02373	0.4
187.04005	1.1
189.01994	0.5
191.03572	0.4
199.04010	5.8
200.04489	0.5
201.01927	0.8
203.03497	1.2
204.04189	0.4
211.04019	0.9
212.89684	0.3
215.03497	2.5
216.04166	0.5
224.13580	0.4
226.02721	0.6
227.03493	7.2
227.12723	0.4
228.03992	0.8
229.01418	0.5
229.92584	0.3
242.02209	3.7
243.02969	26.8
244.03554	2.9
254.02122	1.2
255.02965	17.2
256.03455	2.2
257.04562	3.6
259.06076	0.7
265.07434	0.4
270.01663	3.0
271.02469	49.3
272.03036	7.2
273.03650	0.3
284.03110	0.6
285.04004	6.9
286.04761	3.5
287.05569	2.6
299.01974	52.1
300.02722	40.6
300.06293	0.7
301.03070	3.2
307.08234	5.4
308.08502	0.6
313.03296	0.5
314.04318	40.1
315.05075	89.7
316.05444	6.8
477.10364	2.2
622.34882	0.7
623.14191	100.0
624.14551	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	621.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
58.00588	1.4
59.01379	26.2
71.01385	16.4
71.05019	2.3
71.67352	0.4
72.01741	0.4
72.99304	1.3
73.02913	0.5
78.95895	0.4
83.01391	0.9
85.02962	2.4
87.00877	1.3
87.10590	0.4
89.02453	24.4
93.03474	0.4
95.01395	1.1
95.28715	0.4
96.96024	0.5
99.04530	11.5
101.02454	10.7
113.02467	7.5
115.00307	0.4
117.01991	0.4
117.05595	18.6
118.05951	0.6
118.93937	0.4
119.03522	9.6
125.02362	0.4
131.03513	1.0
132.28377	0.4
133.01418	0.7
133.29831	0.3
143.03519	1.2
149.04642	0.4
159.06651	0.7
161.04575	0.7
169.01448	0.7
179.05611	4.5
279.10843	100.0
280.11237	6.0
300.99658	0.5
323.13565	2.0
341.10767	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	621.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28281	0.4
59.01377	100.0
60.01725	1.3
61.98811	2.2
78.95911	1.2
81.01016	0.5
83.05011	0.6
152.99677	0.6
154.94171	0.5
157.08699	0.9
157.69531	0.4
166.56752	0.5
199.93988	0.6
209.11827	15.6
209.13718	0.8
210.12158	1.1
227.13005	1.4
253.49353	0.5
277.21716	23.1
278.22159	2.3
385.12808	1.1
561.37695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48091	0.3
56.12840	0.3
57.03439	0.4
57.58993	0.3
59.01376	2.7
61.98831	100.0
62.98531	0.3
71.01382	2.2
73.02962	0.6
75.00874	1.0
78.28747	0.3
78.95917	0.4
81.03457	0.3
83.01400	0.5
83.05039	0.5
85.02976	0.8
88.98787	0.7
89.02441	1.5
93.30460	0.3
93.82133	0.3
93.89301	0.3
99.00906	0.6
101.02445	1.9
113.02469	0.6
115.26222	0.3
116.92911	0.9
119.03549	0.3
125.09732	0.4
151.00446	0.4
151.11298	0.6
161.09712	0.7
163.11388	0.5
167.46956	0.3
171.10304	0.4
179.10791	2.0
197.11847	6.8
198.12141	0.5
209.11830	7.1
210.12257	0.4
221.08975	0.4
221.11203	0.3
227.12993	0.7
233.15564	0.7
241.10925	0.9
315.14624	1.0
384.22995	0.4
385.23950	0.6
402.23944	0.3
403.25058	0.5
488.33688	0.6
489.34274	2.6
525.27032	18.4
526.27356	3.4
557.29822	4.1
558.30591	1.2
620.32916	1.0
621.32141	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	620.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
69.52866	8.9
78.95916	24.3
82.75815	0.9
96.96983	2.3
137.44318	1.0
152.99626	13.4
153.99936	1.2
162.83965	5.8
209.11821	4.1
210.12196	2.7
227.12840	1.2
255.23303	11.4
256.23630	11.7
284.72626	1.1
328.38409	1.0
363.12064	2.7
364.12451	1.8
391.22717	2.1
392.22729	3.3
410.24036	1.5
620.20740	2.2
620.36615	12.7
621.36853	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	620.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25352	0.4
50.48143	0.4
58.02979	0.8
59.01383	6.1
61.98829	4.3
62.68460	0.4
69.03464	0.7
70.19134	1.1
70.19559	0.7
71.01382	5.6
72.99310	1.1
73.02950	1.0
78.95918	0.6
80.28893	0.4
83.01407	0.7
83.05045	0.4
85.02944	1.9
87.00880	1.4
88.98840	0.4
89.02435	4.4
91.01904	1.7
93.03465	2.5
95.01401	1.2
96.96021	0.8
97.02973	0.8
98.20454	0.5
99.00857	0.4
101.02454	4.3
102.98622	0.4
107.01391	1.3
107.05041	0.7
108.02193	0.7
109.02988	1.1
111.00890	1.4
113.02458	2.2
116.92890	0.8
119.01414	0.6
119.03506	2.2
120.97704	0.4
121.02985	2.5
123.00905	4.5
125.02466	8.0
126.02750	0.7
128.10796	1.9
130.08752	96.5
131.09119	3.3
135.04456	0.4
136.98843	0.7
137.02473	4.4
139.00414	1.3
140.01143	0.8
141.01942	0.8
143.03534	1.0
145.02853	0.4
147.04555	0.5
149.02335	0.5
150.03229	0.5
151.00403	2.9
151.04012	15.0
153.01976	1.0
161.02408	0.4
161.04581	1.5
161.36330	0.4
165.01990	0.7
165.05626	0.6
167.03548	0.7
168.00586	0.9
169.01459	8.4
170.01781	0.8
172.09808	100.0
173.10138	4.8
177.01881	0.5
179.05621	1.3
181.05017	0.5
187.87610	0.4
195.06592	0.7
205.07172	0.6
211.02457	1.5
215.09241	0.5
216.08734	3.0
221.06656	0.8
247.02238	0.5
271.04672	1.6
275.01788	0.5
300.99744	1.0
307.10437	0.5
313.05750	1.1
323.09760	0.7
371.15363	0.5
445.07513	0.6
459.15082	1.5
468.08429	0.5
469.15970	0.6
557.22461	31.7
558.22833	6.8
589.17798	4.6
620.10339	2.2
620.20941	0.6
621.10822	0.6
621.20410	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	619.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68057	0.5
52.06195	0.6
61.98831	7.0
62.52163	0.5
70.70146	0.5
71.01360	0.7
71.69905	1.0
72.77641	0.6
78.95921	1.4
96.79721	0.6
130.36278	0.6
145.02957	1.8
147.02994	1.3
184.77617	0.6
256.16269	0.6
268.06226	0.6
345.95166	0.7
471.34790	100.0
472.35107	18.7
619.30682	3.5
620.31158	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	620.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
61.98836	7.5
63.73843	0.5
64.18105	0.4
67.01883	0.8
69.03442	0.5
70.48804	0.9
70.49206	0.9
71.01388	2.9
72.99333	0.8
73.02931	0.5
77.74124	0.5
78.95895	1.7
83.01362	0.8
85.02965	1.4
85.31468	0.4
87.00876	1.1
93.03419	0.5
95.01371	1.0
96.96017	3.8
96.96976	2.0
97.02969	0.8
101.02444	1.1
107.01395	4.4
111.00878	3.1
113.02459	1.5
121.02940	0.6
123.00076	0.9
123.00908	10.6
124.01646	1.4
125.02464	25.2
126.02789	0.9
127.00401	0.7
127.40272	0.4
131.42665	0.4
134.15942	0.5
136.98807	1.2
137.02441	1.1
138.03224	0.7
139.00381	4.0
139.04024	2.1
140.01193	3.9
141.01927	1.3
149.02492	0.6
151.00407	5.7
151.04068	1.1
152.00899	0.8
153.01936	1.1
165.01950	7.0
166.02754	2.3
166.99950	0.6
167.03543	1.2
168.00648	7.2
169.01442	41.5
170.01785	1.7
177.01917	1.3
179.03479	4.1
180.04291	7.4
181.05028	1.6
183.02998	7.6
191.03610	0.7
192.04179	0.9
193.05038	0.6
194.05856	1.0
195.02921	0.6
195.06633	6.4
196.06903	0.6
207.74767	0.5
209.04427	0.8
210.01695	1.1
211.02512	3.2
225.04048	6.2
225.07616	0.7
241.03490	1.1
253.03714	0.5
255.05156	0.9
271.04654	2.6
285.06134	6.5
297.06149	1.9
313.02072	0.9
313.05630	14.4
314.05908	0.6
323.64618	0.5
327.07144	2.1
345.08304	0.8
373.07678	1.2
385.07690	3.2
386.07889	0.7
403.12485	0.7
509.12997	21.7
510.13263	2.4
539.13989	4.5
557.15167	100.0
558.15466	12.4
558.22253	0.4
577.19519	0.6
621.21460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3656
Annotation	Coccinone C
Peak:m/z	Relative Intensity
52.22346	0.2
57.03438	0.4
59.01381	0.3
61.98832	1.5
69.03445	0.2
69.47545	1.9
78.95912	0.6
98.20560	0.4
99.00890	0.2
116.92907	0.3
117.03477	19.6
118.03807	0.9
119.05036	7.3
119.05898	0.3
120.05354	0.4
121.02970	1.0
123.04541	0.4
126.06181	0.2
133.02934	0.2
134.03664	0.3
145.02968	72.4
146.03297	3.8
147.04518	0.2
152.99586	0.2
162.03249	0.6
163.04037	1.8
173.40228	0.2
188.86128	0.2
411.32483	0.2
455.31699	2.5
456.32074	0.5
471.35236	1.0
473.32697	0.4
499.30374	0.3
575.37469	4.4
576.37701	1.3
619.36517	100.0
620.36841	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	619.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
59.01381	0.8
59.32051	0.4
61.98835	3.8
69.57882	2.9
70.05355	0.3
73.00896	0.3
75.97016	0.3
78.95897	0.7
88.98811	0.4
98.20551	0.7
116.92915	0.3
117.03484	19.8
118.03821	0.8
119.05032	7.5
120.05425	0.5
121.02967	1.2
123.04554	0.5
133.02954	0.5
145.02972	75.6
146.03302	4.2
157.84544	0.3
162.03238	0.5
163.04048	1.7
168.85962	0.3
201.22781	0.4
224.31804	0.3
225.26765	0.4
264.06625	0.4
267.93686	0.3
411.32971	0.4
455.31525	3.1
456.32022	0.6
473.32559	0.6
575.37445	4.2
576.37860	0.7
583.08771	0.4
619.36542	100.0
620.36816	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	7.6
62.96423	0.4
63.83631	0.4
66.91605	0.4
70.99873	1.0
71.00211	0.5
73.30502	0.4
78.95910	100.0
80.02680	0.8
81.03455	0.4
83.05031	2.1
95.05081	0.4
96.96980	9.4
109.88213	0.4
113.36969	0.4
134.98549	1.6
150.98042	0.7
152.99608	58.6
153.99966	1.2
163.11276	2.1
165.12865	0.8
171.00630	1.1
209.11841	32.0
210.12207	2.6
215.58777	0.4
227.12875	5.4
228.13312	0.7
255.23286	85.2
256.23645	8.6
363.12125	14.5
364.12415	1.2
381.13147	1.9
391.22562	20.3
392.23074	2.3
409.18411	0.9
409.23584	11.7
410.23883	1.1
619.36292	56.1
620.36646	13.2
630.07562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84908	0.7
59.61749	0.8
61.98832	52.4
69.74470	5.1
78.95911	100.0
83.05039	1.5
96.96971	10.3
107.67450	0.8
134.98474	1.4
152.99606	62.1
153.99884	1.5
160.84158	1.1
162.83910	1.2
163.11263	1.2
165.12840	1.2
171.00735	1.4
209.11845	26.4
210.12120	1.1
215.14098	1.0
227.12889	5.9
255.23291	79.9
256.23621	7.9
273.94373	1.1
363.12079	12.8
381.13364	1.6
391.22586	24.6
392.22910	2.4
409.23654	13.3
619.36328	53.6
620.20361	1.2
620.36572	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	619.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.5
56.68597	0.3
57.03452	2.0
58.00588	1.1
59.01380	84.4
60.01722	0.7
60.99301	0.6
61.98830	20.6
69.03470	0.8
71.01388	16.1
71.05010	0.5
72.99323	1.3
73.02955	5.8
78.95917	1.2
83.01393	1.9
83.05045	0.4
85.02956	5.2
85.83871	0.4
87.00901	1.3
87.04531	0.7
88.98824	3.9
89.02457	12.5
94.98080	0.4
95.01455	0.9
96.96023	10.7
96.97006	1.7
97.02980	0.6
97.06622	0.4
98.20646	0.7
99.00906	1.4
99.04541	1.7
101.02456	12.1
101.06100	1.3
109.06590	0.9
111.00918	0.4
113.02466	6.7
115.00350	0.4
116.92857	2.1
119.03509	4.5
119.04188	0.4
119.05074	0.4
121.03006	0.4
123.00897	0.7
124.89792	0.4
125.02464	2.2
131.03511	0.7
137.02548	0.5
143.03499	1.0
149.04610	0.4
150.03345	0.4
151.00479	0.5
159.03049	0.6
160.04089	1.1
161.04631	2.2
164.01155	0.5
165.01955	0.5
165.05664	0.5
165.12926	1.0
169.01437	1.3
179.03503	0.4
179.05663	0.9
185.11739	0.5
187.13368	2.3
189.12878	0.6
192.00584	0.5
199.13405	0.5
207.13940	1.7
209.11839	5.0
225.14940	5.4
227.12897	19.0
228.13258	1.3
233.42073	0.4
251.12758	0.6
269.14026	1.4
287.15048	1.3
301.00333	0.5
301.03418	0.5
331.17865	2.4
349.18735	3.9
371.11606	0.5
391.19809	1.0
462.96704	0.4
494.88959	0.5
529.22656	0.5
557.25897	1.3
559.27753	0.4
601.32306	5.0
602.33337	0.8
614.00153	0.4
619.33600	100.0
620.33844	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	619.2577
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.98820	1.7
62.76839	0.5
63.45004	0.5
68.99810	0.8
69.56754	4.7
75.87533	0.4
78.95911	91.7
80.22272	0.5
83.05030	1.8
96.96980	8.3
102.11307	0.5
113.69400	0.5
134.98532	1.5
137.62975	0.6
150.97995	0.8
152.99608	56.0
153.99928	0.7
162.16090	0.6
163.11308	1.4
171.00687	1.3
182.18254	0.6
209.11847	27.8
210.12141	1.4
227.12875	5.3
228.13377	0.6
255.23293	77.9
256.23587	5.6
363.07846	1.1
363.12128	12.2
364.12439	1.1
381.13348	0.8
391.22577	19.8
392.22974	2.0
401.13928	3.1
409.23581	11.2
415.15527	3.0
416.16409	12.1
417.16718	2.0
429.17462	1.3
430.18146	2.7
431.18680	2.1
434.17578	0.7
435.17932	0.6
444.15689	1.2
458.17114	1.1
459.18256	100.0
460.18610	20.0
473.19821	15.9
474.20526	7.8
475.21164	1.1
485.15936	1.2
487.17838	1.1
499.17508	0.6
500.18088	0.7
501.19421	2.1
502.19891	0.9
503.17191	2.5
504.17386	0.9
517.18726	1.5
518.11566	1.4
518.19556	47.7
519.19965	9.0
532.21063	8.8
533.21881	89.3
534.22174	17.0
543.21661	0.7
544.21558	0.8
545.20966	0.6
587.22949	6.0
588.23169	1.2
590.30969	0.5
619.25751	89.9
619.36322	48.2
620.26050	21.4
620.36664	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	619.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.8
60.99319	0.4
61.98832	19.1
62.98525	0.3
63.03393	0.3
69.03463	0.3
69.60844	1.9
71.01386	2.6
71.05028	0.3
72.99333	0.6
73.02949	0.7
73.92027	0.2
75.00912	0.3
78.95916	0.6
83.01382	0.6
85.02969	1.1
87.00880	0.5
88.98814	1.7
89.02419	1.3
93.03471	0.8
94.98103	0.7
95.01408	0.4
96.96026	5.7
96.96960	0.7
97.02962	0.5
99.00910	0.4
99.92609	0.5
101.02466	2.3
107.05081	0.3
109.02956	1.0
111.00946	0.4
113.02460	1.0
115.92125	0.8
116.92878	2.0
119.03514	0.6
119.33346	0.3
120.99669	0.3
121.02995	1.2
122.03747	2.5
122.06125	0.5
123.00919	0.5
123.04564	0.8
125.02469	2.8
133.02974	0.4
135.04546	0.4
137.02466	20.1
138.03113	1.0
139.04057	0.3
140.01164	0.3
149.02444	3.7
150.03247	16.5
151.00490	0.3
151.04048	5.5
152.04759	0.6
153.01990	0.6
153.05630	0.9
161.02425	1.0
163.04053	0.3
164.04822	1.2
165.01967	2.9
165.05591	16.6
166.05946	0.9
167.03511	0.3
168.04289	2.0
169.01439	0.8
176.04793	1.1
177.01906	0.3
177.05392	0.3
179.03569	2.0
179.05577	0.4
179.07158	0.8
180.04298	5.3
181.05086	4.4
182.05855	87.7
183.06195	4.2
191.03467	0.6
191.07133	0.3
192.04221	0.6
194.05882	2.0
195.02965	1.2
195.06636	17.2
196.07076	1.6
197.08203	100.0
198.08543	6.5
207.06639	1.5
209.08195	5.8
209.11859	0.5
210.05447	1.9
210.08623	0.4
213.07939	0.3
223.06259	0.4
225.07686	10.0
226.08025	0.7
227.12959	1.3
231.05696	0.3
251.09244	0.6
287.14819	0.4
300.99918	0.4
347.39999	0.2
421.14896	0.9
423.16714	0.5
439.18546	0.6
529.21991	0.5
557.22668	1.1
619.24286	4.3
619.32886	4.7
620.24414	0.9
620.35022	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	619.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50397	0.3
57.03451	0.5
59.01388	3.5
59.17187	0.3
60.99298	1.0
61.98836	14.2
69.03469	0.8
71.01384	2.5
71.73969	0.5
72.99310	0.5
73.02963	1.2
78.95904	0.6
81.03448	0.6
83.01363	0.5
85.02960	1.1
87.00882	0.5
88.98814	9.9
89.02467	1.4
93.03507	0.5
95.01408	1.0
96.96035	1.5
96.96996	0.7
97.02937	0.9
99.00883	0.6
101.02454	1.3
107.01407	13.1
107.02121	0.8
109.02955	0.9
111.00916	1.0
113.02476	1.4
116.92896	2.1
119.03510	0.5
119.05029	0.5
121.02981	0.6
122.03761	0.4
123.00896	5.4
123.04543	6.6
124.01688	1.0
125.02471	54.4
126.02856	1.9
127.00349	0.4
135.04568	2.6
136.98958	0.7
137.02464	1.8
138.03212	0.6
139.00453	1.2
140.01146	1.2
141.01920	0.6
145.02945	0.4
149.02452	1.9
150.03246	3.9
151.00394	3.3
151.03946	0.8
153.01956	0.8
153.05602	12.8
154.05984	0.9
161.04579	1.2
162.03227	0.3
163.00330	0.4
163.03995	0.6
164.04782	0.6
165.01979	1.4
165.05615	4.0
166.06030	0.6
166.99829	0.6
167.03546	0.8
168.00676	2.1
169.01451	100.0
170.01787	4.6
179.03546	0.8
180.04285	1.0
181.05098	0.7
182.05844	2.1
195.06590	2.4
196.07181	0.4
197.04584	0.9
197.08270	2.1
197.45622	0.4
209.08229	0.5
211.02405	1.1
214.82007	0.4
223.02386	0.4
225.07732	0.4
227.09262	1.5
241.03584	0.7
277.34900	0.4
300.99976	0.7
305.06680	33.4
306.07037	3.4
313.05670	22.8
314.06039	1.5
331.06500	0.7
331.54324	0.4
343.11819	1.1
345.12994	0.4
404.14401	0.5
449.10880	0.7
467.11981	42.0
468.12308	6.0
493.17706	0.6
557.22626	0.9
571.21930	1.3
619.13214	50.3
619.24115	3.3
620.13440	11.2
620.24152	0.4
620.28723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67626	0.2
57.03451	0.2
59.01380	3.4
61.98831	10.5
69.21071	0.2
71.01382	1.4
72.99287	0.3
73.02949	0.3
85.02959	0.5
88.98799	0.5
89.02445	1.0
93.03474	0.4
95.01380	0.4
96.96021	2.4
96.96994	0.3
97.02931	0.5
98.20658	0.4
101.02443	0.8
105.88892	0.2
107.05009	0.3
109.02963	1.0
113.02435	0.4
116.92858	0.9
121.02951	1.2
122.03764	1.7
123.00918	0.3
123.04578	0.5
125.02444	2.0
133.03062	0.4
135.04521	0.3
136.01682	0.3
137.02457	22.3
138.03038	1.0
140.01082	0.3
144.92159	0.3
149.02469	2.9
150.03241	14.2
151.00342	0.4
151.04027	6.5
152.04852	0.5
153.02031	0.4
153.05595	1.3
161.02432	0.7
161.06148	0.2
164.04773	1.5
165.01924	3.1
165.05579	13.0
165.87874	0.3
166.02693	0.7
166.05910	0.7
167.03499	0.5
168.04268	1.0
169.01463	0.7
176.04826	0.6
177.01865	0.5
179.03554	1.6
179.05675	0.2
179.07147	1.0
180.04297	5.4
181.05084	4.4
182.05844	96.3
183.06186	5.4
191.03404	0.3
191.07159	0.4
192.04314	1.0
192.55664	0.4
194.05888	2.0
195.02997	0.8
195.06633	15.7
196.07109	1.7
197.08192	100.0
198.08531	6.0
207.06670	1.3
209.08199	4.7
210.05318	1.6
213.07680	0.4
225.07680	10.5
225.76793	0.2
226.08018	0.6
227.12857	0.6
241.93872	0.2
251.09291	0.4
255.02963	0.5
283.02505	0.6
285.03970	1.0
343.11801	0.6
373.12906	3.3
376.70346	0.3
421.15079	2.4
422.15146	0.3
430.09360	0.3
431.09958	0.4
559.29999	0.3
571.21936	0.4
573.97247	0.3
619.14703	0.4
619.23596	4.0
619.34357	1.7
620.24384	0.9
620.33997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10785	0.5
54.15259	0.4
59.01383	1.6
61.98831	6.1
65.00325	0.5
67.01892	1.0
68.99828	0.4
69.03458	1.5
69.42014	2.4
69.42442	1.8
69.79253	0.4
71.01026	0.6
71.01383	3.6
72.99329	0.6
73.02942	0.5
78.95917	0.9
79.01895	0.9
81.03473	1.0
83.01392	0.6
85.02969	1.8
87.00891	0.7
89.02454	0.5
90.56792	0.4
91.65667	0.4
93.03476	0.6
95.01369	2.5
96.96020	4.3
97.02982	1.3
99.00896	1.0
101.02456	1.0
107.01396	4.6
108.02190	20.1
109.02981	6.6
111.00893	2.6
113.02474	1.7
115.32317	0.4
116.92861	3.0
119.05070	0.4
121.02972	1.0
123.00901	10.6
123.04530	0.9
124.01679	1.7
125.02462	42.8
126.02830	1.4
127.00422	0.7
135.04561	0.7
136.98843	1.4
137.02489	2.1
139.00398	3.7
140.01184	3.2
141.01950	1.2
145.02975	0.7
149.02425	2.1
150.03258	2.6
151.00381	6.3
151.03996	1.1
152.01172	27.4
153.01965	6.4
161.02504	0.6
163.00375	0.5
163.04037	1.3
164.01151	0.5
164.04828	1.1
165.01868	1.9
165.05573	2.7
166.99866	2.5
167.03532	1.2
168.00667	6.5
169.01440	56.7
170.01810	2.4
175.03972	0.8
177.01956	1.2
178.02451	0.4
179.03502	1.5
179.05630	0.3
179.07166	1.4
180.04271	0.4
181.01346	0.8
191.03517	0.9
193.01454	1.7
193.05003	0.5
193.98578	3.3
194.05867	0.6
194.99390	1.9
195.03015	0.8
195.06647	1.9
197.04538	0.6
203.03574	0.5
205.01443	0.8
207.02969	0.7
211.02499	3.7
221.04524	0.6
223.02466	1.4
225.04034	1.1
227.09300	1.7
229.21698	0.4
237.03975	0.8
241.03564	0.6
251.01648	0.4
253.03395	0.5
259.02600	0.5
260.03439	0.4
287.01871	0.6
295.04620	1.9
297.06058	3.2
313.05634	12.7
314.06046	1.1
315.07220	1.1
343.11902	1.0
405.08304	2.7
423.09338	4.9
424.09955	0.4
431.06308	0.6
449.07352	2.3
450.07181	0.5
465.06693	7.2
466.06812	0.9
467.08203	3.4
468.08789	0.6
557.22595	0.5
575.10431	10.6
576.10767	1.8
601.08643	2.2
619.09503	100.0
620.09833	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	618.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80981	0.1
58.53505	0.1
61.98832	100.0
62.98531	0.2
63.99254	0.6
65.52876	0.1
70.82270	0.2
70.82668	0.3
72.51420	0.1
72.70207	0.1
74.37799	0.1
78.95900	1.4
97.83699	0.1
110.65159	0.1
128.38271	0.1
129.80589	0.1
152.99559	0.8
209.12000	0.2
220.17490	0.1
225.11452	0.2
255.23232	1.2
256.23700	0.4
315.14526	0.2
361.06516	0.1
391.22635	0.3
431.02597	0.1
555.38208	0.3
618.35303	0.2
619.09875	0.2
619.36273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
61.98835	6.4
65.00336	0.5
67.01881	0.8
68.99831	0.5
69.03455	1.1
69.47759	2.2
69.48187	1.9
71.01388	3.7
72.99311	0.8
73.02943	0.8
78.95898	0.4
79.01920	1.0
80.07919	0.4
81.03464	0.8
83.01400	0.9
85.02968	1.3
87.00911	0.9
93.03447	0.7
95.01390	2.3
96.96048	1.9
97.02960	1.5
99.00915	0.7
100.16595	0.4
101.02480	1.1
107.01420	5.7
107.05028	0.7
108.02193	19.9
109.02984	6.2
110.00137	0.5
111.00900	2.0
113.02492	1.1
116.92875	2.7
119.05079	0.7
121.02966	0.8
122.03812	0.6
123.00903	11.4
123.04542	0.6
124.01674	1.5
125.02466	39.5
126.02814	0.9
127.00450	0.6
135.04579	1.0
136.98827	1.2
137.02469	1.7
139.00394	3.4
140.01201	3.1
141.01970	1.3
147.04483	0.5
149.02490	1.4
150.03256	2.0
151.00392	7.7
151.01532	0.6
151.03995	1.2
152.01176	28.9
153.01978	6.4
161.02461	0.6
163.03989	0.7
164.04825	1.2
165.01909	1.3
165.05602	2.3
166.99911	1.9
167.03516	0.8
168.00661	6.1
169.01447	54.1
170.01817	1.7
175.03992	0.8
177.01978	0.6
179.03534	1.7
179.07161	0.9
180.04228	0.4
181.01454	0.8
191.03534	0.8
193.01428	2.2
193.61304	0.4
193.98563	4.0
194.99420	2.3
195.06679	1.7
197.04558	0.4
207.03072	0.7
211.02501	2.5
221.04616	0.8
223.02460	0.8
225.04124	0.5
227.09207	1.0
237.03931	1.0
241.03586	1.1
261.03989	0.5
287.01831	0.5
295.04538	1.6
296.05386	0.6
297.06201	3.1
313.05692	11.6
314.05972	1.2
315.07205	1.1
343.12009	0.6
351.38690	0.4
405.08221	2.5
423.09433	5.0
424.09402	0.6
431.06088	0.7
447.09073	0.7
449.07333	2.7
465.06726	6.6
466.07013	0.8
467.08386	3.8
575.10468	11.8
575.19452	0.7
576.10858	1.6
601.08289	2.1
619.09521	100.0
619.94208	0.5
620.09875	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	617.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
57.03461	0.5
58.00583	0.3
59.01380	5.0
60.99313	0.2
61.98832	3.7
71.01387	4.1
71.05035	0.3
71.73861	0.2
72.99308	0.4
73.02956	0.9
75.00878	0.2
80.02679	1.0
81.03461	1.0
82.95439	0.4
83.01399	0.8
83.05030	3.3
84.02190	0.6
85.02953	1.4
87.00892	0.8
88.98827	0.5
89.02450	2.9
95.01402	0.5
95.05021	0.5
96.96037	0.5
97.02956	0.3
97.06609	0.3
99.00890	0.5
99.04573	0.2
101.02456	3.5
107.05056	0.2
109.06616	0.2
111.00939	0.2
113.02476	2.1
116.87948	0.1
116.88776	0.2
116.92890	0.3
119.03530	0.8
121.84465	0.2
123.00915	0.4
125.02457	0.7
125.06076	0.6
125.09729	1.2
127.11303	1.7
131.03510	0.4
133.05151	0.2
135.08159	0.5
143.03543	0.4
145.05136	0.3
147.11858	0.3
149.04597	0.3
153.01898	0.2
153.09224	0.6
161.04568	1.3
161.09764	0.1
163.11305	2.9
165.01779	0.2
165.12852	1.8
169.01428	0.6
169.10329	0.1
171.10286	100.0
172.10638	5.2
179.05498	0.7
179.61850	0.2
181.12375	0.6
183.13957	0.4
191.05765	0.3
191.10774	0.8
197.11934	0.2
199.13503	0.3
201.11382	0.2
209.11841	88.7
210.12163	6.2
211.13316	0.2
227.12897	12.2
228.13211	0.8
235.08223	3.2
236.08623	0.3
253.09291	7.6
254.09618	0.5
327.19998	0.2
337.23892	0.3
353.23712	0.2
357.26056	0.2
363.21634	0.3
386.93481	0.2
407.19266	1.7
408.19586	0.3
425.25241	0.2
445.20709	0.9
446.21091	0.2
463.21085	0.2
485.30762	0.5
578.39587	0.2
581.29572	0.4
599.33875	0.6
617.35461	4.9
618.35229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3858
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
61.98819	0.1
65.79705	0.1
69.61833	1.0
71.99865	0.1
73.33995	0.1
80.93555	0.1
87.46113	0.1
89.04015	0.2
98.20583	0.3
117.03481	26.1
118.03783	1.1
119.05037	7.2
120.05372	0.4
121.02978	1.6
123.04562	0.3
133.02992	0.4
134.03671	0.1
145.02969	100.0
146.03305	5.4
146.04495	0.2
162.03258	0.9
163.04021	2.1
164.04327	0.2
203.19054	0.1
337.47964	0.1
359.91632	0.1
391.30130	0.2
423.28979	0.2
439.32190	0.2
453.33783	1.2
454.33984	0.3
471.35135	0.1
497.32791	1.6
498.32935	0.4
571.37805	0.3
573.39166	0.6
617.38580	91.1
618.38916	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44419	0.4
59.01372	0.5
61.98836	1.3
70.31922	0.9
70.32307	0.8
71.59524	0.4
78.95900	0.4
83.11072	0.3
88.98849	0.6
96.96019	1.0
96.96984	0.5
98.20581	0.8
98.95646	0.3
99.92603	21.0
100.92629	1.5
100.93387	3.3
115.92094	53.6
116.92130	2.2
116.92873	29.3
117.92860	1.0
117.93639	0.5
126.20572	0.4
171.10300	1.2
209.11884	0.5
391.29898	0.6
405.28021	0.5
441.29907	0.6
453.30228	2.0
471.31195	1.3
517.31348	0.8
518.30731	0.5
519.22107	0.4
519.32343	0.9
537.23395	0.9
555.24255	6.4
556.24658	1.3
569.22260	1.1
581.22186	7.0
582.22717	1.4
585.21552	2.1
586.22235	0.8
587.23096	0.8
588.23529	0.6
599.23480	2.4
600.22638	0.5
617.24335	100.0
618.24640	21.5
618.34973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1162
Annotation	Taxillusin
Peak:m/z	Relative Intensity
56.83234	0.5
57.03449	5.8
59.01385	1.9
61.98834	9.6
63.02407	0.6
65.00340	3.1
68.99816	0.7
69.03501	0.5
69.70654	4.4
71.01387	3.8
75.00868	0.5
81.03448	0.8
81.76820	0.5
83.01397	4.3
85.02979	1.0
89.02478	0.8
93.03487	1.2
95.01405	2.3
96.44781	0.5
96.96040	2.7
96.96979	0.6
97.02959	1.0
98.18808	0.5
101.02454	1.5
107.01414	10.7
108.02184	0.6
109.02974	2.8
111.00901	2.0
113.02484	1.2
116.92877	1.6
121.02953	2.0
123.00904	7.7
123.04547	3.4
124.01755	2.6
125.02464	100.0
126.02818	4.1
135.00943	0.8
136.15543	0.5
136.98882	1.0
137.02473	2.8
139.00404	2.2
139.04034	2.1
140.01204	3.0
141.01952	0.9
145.03015	0.8
147.04562	1.4
149.02463	8.6
150.03151	1.7
151.00389	24.5
151.03963	2.6
152.01208	2.7
153.01967	16.9
154.02290	0.6
161.02446	1.6
163.00392	13.4
164.01175	0.7
165.01949	2.2
165.05597	1.1
166.99886	1.7
167.03505	3.0
168.00661	5.2
169.01447	57.2
170.01788	2.0
171.04512	1.5
173.02443	0.6
173.06070	0.9
174.03258	1.6
175.00395	2.0
175.04028	11.3
176.01093	3.7
177.01953	11.3
178.02283	1.0
178.99857	6.2
179.03445	0.6
181.01424	2.3
188.04851	1.6
189.05594	3.6
191.03534	2.4
193.01469	1.2
195.02951	1.0
195.06627	0.7
197.06073	1.1
199.04018	6.6
200.04558	0.9
201.01921	1.4
205.01425	0.5
211.02466	9.3
211.04250	0.9
213.05554	1.9
215.03516	0.9
216.04349	0.9
217.05090	7.3
218.05435	0.6
231.06644	1.0
241.05316	4.4
242.02179	0.7
243.03096	1.5
253.03539	0.7
256.03760	1.2
257.04465	1.5
259.06149	2.2
267.02963	1.7
268.83984	0.6
271.04590	5.9
275.05637	6.6
284.03296	11.6
285.04056	32.2
286.04382	3.1
294.01233	0.5
299.05588	1.7
301.00012	1.0
303.05069	11.5
303.08301	0.6
304.05457	1.3
312.04910	1.4
312.52689	0.5
313.05655	43.0
314.06012	4.0
327.05173	1.2
438.07800	0.6
439.08627	6.7
440.09201	0.9
447.09494	0.8
465.06549	5.5
466.07443	5.5
467.08170	2.1
477.06772	2.4
493.06155	7.1
493.12692	0.8
494.06552	1.7
495.07806	2.2
554.19666	3.2
589.11987	14.4
590.12628	2.7
599.10425	37.4
600.10803	8.0
617.11664	75.0
618.11914	17.1
618.21893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96641	0.2
55.53770	0.2
61.04472	0.2
61.98833	100.0
64.15637	0.2
66.92552	0.2
67.70460	0.2
70.73643	0.7
73.49656	0.2
78.95908	1.2
89.12824	0.2
105.44116	0.2
151.11356	0.2
152.99680	0.8
154.49388	0.2
161.09764	0.3
179.10844	0.9
180.11298	0.2
197.11836	2.1
225.11362	0.3
241.10757	0.4
255.23253	3.0
315.14502	0.3
347.21100	0.2
361.10608	0.3
386.91803	0.2
391.22693	0.2
553.37433	6.1
554.37689	1.3
617.35022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34425	0.2
59.01379	2.9
60.01714	0.2
61.98832	100.0
62.98533	0.5
63.95774	0.2
63.99252	2.0
71.01392	0.9
72.99314	0.2
73.02950	0.3
78.91908	0.2
83.01402	0.3
85.02976	0.3
87.00928	0.3
88.98856	0.3
89.02470	0.5
96.96027	0.8
97.06752	0.2
98.20641	0.3
99.92635	0.2
101.02475	0.5
102.73573	0.2
107.01362	0.2
108.02216	0.5
109.02979	0.3
113.02493	0.4
115.00397	0.2
116.92903	0.3
121.02973	0.2
122.03764	0.2
123.00906	0.5
123.04474	0.3
125.02479	1.7
126.05112	0.2
137.02480	0.7
137.09924	0.1
139.03940	0.2
140.89070	0.2
149.02464	0.5
150.03259	2.5
151.00394	0.5
151.03578	0.8
152.01178	0.6
153.01944	0.4
163.04015	0.2
165.01941	1.2
165.05602	2.4
166.02394	0.3
166.05949	0.6
167.03432	0.2
168.00775	0.2
168.04309	0.2
169.01480	1.7
169.04872	0.2
170.01845	0.2
177.01959	0.2
179.03540	0.4
180.04294	0.9
181.04764	0.4
183.06671	0.7
184.07056	0.3
195.06664	2.2
196.07043	0.6
209.11578	0.2
210.05353	0.2
225.07698	0.9
225.14937	0.2
226.08128	0.5
226.15305	0.2
227.12953	0.7
228.13243	0.5
255.02997	0.3
256.03415	0.2
269.13910	0.2
271.02423	0.4
272.02823	0.5
287.15128	0.3
289.07214	0.4
298.61142	0.2
299.99420	0.2
300.02829	0.7
301.03250	0.7
302.03635	0.3
313.05807	0.4
314.06116	0.2
419.17581	0.2
420.17422	0.4
464.09119	0.3
465.26953	0.2
553.22681	0.3
568.23010	0.2
598.26349	0.5
616.10791	1.6
616.27069	2.9
617.11224	1.2
617.28040	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	616.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15614	0.2
53.79200	0.1
59.01375	0.9
61.98832	100.0
62.98549	0.2
63.63097	0.1
63.99279	0.1
65.00314	0.1
67.01917	0.1
69.33462	1.0
69.33871	0.3
71.01402	0.6
75.00869	0.2
83.01410	0.1
85.02966	0.2
87.00877	0.2
88.98851	0.3
89.02463	0.3
92.45735	0.1
93.03466	0.2
95.01402	0.2
96.96021	0.2
98.20691	0.2
101.02467	0.1
107.01441	0.3
108.02222	0.2
109.02978	0.3
111.00857	0.2
113.02471	0.2
115.00376	0.2
116.92850	0.2
117.09495	0.1
121.02977	0.3
122.03773	0.4
123.00897	0.5
123.04547	0.2
124.01746	0.2
125.02457	1.3
134.03775	0.2
135.04591	0.2
137.02441	0.2
139.00420	0.3
149.02458	0.7
150.03247	3.2
151.00426	0.5
151.04022	0.2
152.00742	0.2
153.01900	0.2
161.02435	0.2
161.04509	0.1
163.04066	0.2
164.04851	0.3
165.02008	0.5
165.05579	3.2
166.02734	0.1
166.05089	0.1
166.99850	0.2
167.03471	0.1
168.00609	0.2
169.01454	1.1
178.99863	0.2
179.03531	0.1
179.05743	0.1
180.04231	0.7
181.05058	0.3
182.99449	0.1
190.02815	0.2
192.04367	0.2
195.06625	2.8
207.06564	0.3
209.08313	0.1
210.05347	0.1
211.02498	0.6
211.06145	0.2
225.07710	0.3
259.06308	0.1
271.04593	0.9
301.03513	0.4
302.04053	0.5
313.07220	0.2
325.07269	0.2
328.09570	0.5
331.06754	0.3
340.09485	0.3
343.11801	0.7
355.12137	0.4
373.13336	0.2
391.13965	1.0
392.29718	0.1
403.14102	0.9
464.09558	0.2
493.76291	0.1
553.19318	0.3
554.20837	0.1
556.34558	0.3
557.34906	0.1
569.20435	0.2
587.21429	0.2
616.10577	0.7
616.23523	0.4
617.12024	0.2
617.23541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.9
59.98683	0.1
61.98832	100.0
62.98544	0.2
65.07345	0.1
71.01393	0.8
71.47145	0.3
72.99317	0.2
73.02965	0.4
75.71480	0.1
79.95791	0.1
85.02962	0.2
87.00867	0.2
88.98820	0.3
89.02457	0.4
94.98115	0.3
96.96030	0.6
101.02455	0.5
107.01436	0.2
109.03001	0.2
111.00881	0.2
113.02475	0.4
115.92091	0.2
116.92880	0.3
119.03539	0.1
121.03011	0.3
125.02488	0.7
137.02504	0.3
149.02446	0.2
150.03253	0.9
151.00371	0.2
151.03976	0.2
153.02019	0.2
160.04086	0.8
163.03996	0.2
165.01971	1.3
165.05598	0.9
166.02545	0.2
166.06331	0.6
168.00731	0.2
169.01445	0.5
179.03548	0.3
180.04314	0.8
181.05139	0.2
181.08723	0.5
183.03006	1.8
183.10312	0.2
184.03355	0.8
188.39502	0.1
193.05077	0.1
195.06639	2.7
209.11830	0.2
211.06166	0.3
214.41006	0.1
225.07695	0.2
227.12971	0.5
287.15073	0.1
329.10327	0.2
343.13864	0.2
344.12943	0.1
359.15076	0.4
370.58667	0.1
407.17285	0.2
414.25546	0.2
421.18893	0.4
465.27106	0.3
538.21899	0.4
553.23163	0.3
616.22699	1.0
616.29791	0.3
616.33691	0.4
617.32642	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	616.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15887	0.3
57.03442	0.9
59.01379	5.0
61.98830	19.9
67.01890	0.8
68.99808	0.4
69.03450	0.5
71.01385	4.6
72.42999	0.4
72.99299	0.6
73.02943	0.6
74.99096	1.0
78.95933	2.0
79.01888	1.0
80.40241	0.3
81.03468	0.6
83.01389	0.9
85.02973	2.0
87.00876	1.1
88.98798	1.8
89.02445	3.6
93.03444	0.7
95.01396	2.0
96.96023	12.2
96.96957	3.4
101.02454	2.7
107.01400	3.4
108.02203	0.6
109.02954	0.8
111.00884	2.0
111.04564	0.4
113.02457	1.9
115.00375	0.4
116.92873	0.9
119.03496	0.9
121.02950	0.8
121.06510	0.3
123.00895	12.5
123.04517	1.8
124.01650	1.3
125.02464	22.5
126.02787	0.8
127.00350	0.7
133.02994	0.5
135.04526	0.6
136.98952	1.2
137.02472	0.6
139.00389	2.5
139.04048	0.6
140.01180	2.1
141.01945	1.4
141.34378	0.4
146.06230	0.4
147.04485	0.5
149.02469	0.6
149.07408	0.3
150.03229	2.0
151.00395	8.4
151.04005	0.9
152.01070	0.6
153.01929	1.3
153.05493	0.4
161.02435	1.0
163.03998	0.8
165.01929	1.7
165.05592	1.7
166.99767	0.4
167.03546	0.9
168.00648	3.6
169.01442	28.6
170.01765	1.1
173.02449	0.4
175.04019	0.6
177.01993	0.8
179.03462	0.7
181.05069	1.5
189.27863	0.4
191.03487	0.5
193.01483	0.5
195.02989	0.8
195.06642	1.3
201.05612	0.4
203.03510	0.5
206.09410	0.5
209.04602	0.5
211.02475	8.3
211.04289	0.7
212.02676	0.4
221.11768	0.5
229.91211	0.4
253.03429	0.5
271.04587	11.8
272.04773	0.9
273.04022	0.5
275.01886	0.8
285.04034	0.6
299.99069	1.0
300.99890	4.4
302.00266	0.9
313.05634	3.6
331.06668	0.9
373.07761	0.9
401.18021	0.4
415.58472	0.4
479.12195	0.4
553.19196	100.0
554.19702	18.9
554.26825	0.4
556.34277	0.4
579.31335	0.5
599.10059	0.4
616.06689	0.9
616.16754	3.0
616.66547	1.2
617.10443	1.3
617.18909	0.6
617.26239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3702
Annotation	(+)-Kopsoffine
Peak:m/z	Relative Intensity
61.98832	1.6
63.87753	0.2
69.66109	1.0
69.66539	0.9
77.43459	0.2
78.95906	0.4
93.03458	0.9
95.02532	0.2
117.03480	3.3
117.79637	0.3
119.05038	100.0
120.05374	4.2
122.59601	0.3
145.02969	7.8
146.03310	0.4
152.99602	0.4
160.84218	2.9
163.04021	80.2
164.04375	4.5
166.02779	0.3
173.02643	0.3
238.68950	0.2
239.78334	0.3
293.20523	0.3
301.47006	0.3
310.16299	0.3
615.36987	53.9
616.19482	0.9
616.37286	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	615.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42123	0.2
55.01876	0.4
57.03440	0.5
58.00594	0.2
59.01385	5.3
59.41034	0.2
61.98833	8.7
65.00324	0.3
67.01894	0.8
68.99804	0.3
69.03455	0.7
69.55907	1.7
71.01030	0.3
71.01393	3.6
72.99309	0.6
73.02956	1.1
78.95915	0.8
79.01894	0.9
79.95731	0.3
80.91675	0.2
81.03454	0.3
83.01399	1.0
85.02951	1.5
85.32374	0.2
87.00885	0.8
89.02467	1.9
95.01411	1.7
96.96018	1.4
96.96954	1.1
97.02966	0.9
99.00885	0.8
99.04523	0.2
101.02451	2.6
107.01405	2.9
109.02982	0.4
109.06614	0.7
110.00082	0.2
111.00896	2.3
113.02476	1.7
116.92847	0.2
117.03448	0.2
119.03512	0.4
121.02992	0.2
123.00906	13.5
123.04543	0.2
124.01811	0.9
125.02470	13.1
126.02818	0.6
127.00388	0.6
131.03516	0.6
135.04575	0.3
135.08200	0.8
136.98865	1.3
137.02448	0.7
137.06096	0.2
139.00397	4.6
139.04123	0.3
140.01187	3.2
141.01958	2.1
149.04510	0.2
151.00394	9.8
151.03996	0.4
152.00705	0.4
153.01974	1.0
154.99896	0.3
161.04594	0.4
163.03978	0.4
163.11330	0.6
165.01878	0.4
168.00673	3.0
169.01450	16.0
170.01773	0.7
171.08936	0.4
171.10297	4.1
179.03543	0.3
181.05069	0.3
183.13866	0.2
185.11829	0.2
191.05588	0.3
197.11848	0.3
207.10327	2.5
209.04659	0.2
209.11804	0.3
211.02432	1.0
211.13454	0.2
225.11324	1.7
253.03654	0.3
253.09338	0.5
262.38452	0.2
271.04608	0.7
275.15735	0.2
297.11945	0.5
313.05783	1.1
335.22327	0.3
461.20319	0.5
461.30899	0.2
483.29752	0.4
542.63483	0.2
571.35034	0.3
615.34027	100.0
616.34357	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	615.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52493	0.3
55.01879	0.6
56.47570	0.2
57.01810	0.2
57.03445	1.3
57.08800	0.3
58.00624	0.3
59.01379	54.7
60.01719	0.6
61.98833	11.2
69.03454	0.4
69.41531	2.9
71.01386	5.9
71.05022	0.3
72.99317	0.7
73.02947	2.2
75.00874	0.6
78.52585	0.2
81.04135	0.2
83.01410	1.2
83.05027	0.3
85.02961	2.4
87.00885	0.5
88.98842	0.3
89.02453	2.2
93.03487	0.4
95.01410	0.5
95.05047	0.8
96.96038	1.2
97.06622	0.4
99.00935	0.5
99.04550	0.7
101.02452	3.2
109.06626	0.3
110.49495	0.3
110.92025	0.3
111.00938	0.6
113.02460	2.4
116.92901	0.7
119.03529	0.8
122.03785	0.8
123.00935	0.8
123.04543	0.6
125.02448	2.6
127.07722	0.3
131.27164	0.3
135.04581	0.6
135.08235	0.4
136.01730	0.4
136.07698	0.3
137.02467	2.9
137.09764	0.7
137.19490	0.2
139.00415	0.3
139.07680	0.7
139.11308	19.4
140.01141	0.3
140.11668	1.0
149.02486	0.6
150.03271	2.2
151.00421	1.1
151.04068	0.4
153.01971	0.3
153.05612	0.3
153.09274	0.6
155.10822	1.8
159.02997	0.4
160.05360	0.3
161.04614	1.1
161.09962	0.2
163.11317	1.0
165.01952	14.1
165.05586	2.1
165.09265	0.7
166.02557	0.8
168.00682	1.1
169.01440	1.6
171.10283	0.4
179.03473	1.9
180.04308	7.5
181.05034	1.6
181.12361	6.7
182.12823	0.5
183.10283	17.1
184.10677	0.9
194.06059	0.3
195.06638	13.1
195.13853	0.3
196.07008	1.0
196.27269	0.3
199.13544	0.6
207.10400	0.5
209.11819	0.5
210.05389	1.9
211.02553	1.3
214.58492	0.3
225.07697	11.4
225.11226	3.4
226.08104	0.9
226.11667	0.4
227.12946	1.2
227.16544	1.3
243.12418	1.9
257.12946	0.5
259.06122	0.6
269.04565	0.4
269.13873	0.3
271.04630	1.1
283.19122	0.3
287.05478	0.4
313.05835	0.3
329.10281	0.5
331.07019	0.3
341.10428	0.6
344.12723	0.7
357.13467	0.6
359.14926	1.7
371.15005	1.6
389.16626	0.6
453.32196	0.4
463.25836	0.3
483.29898	0.9
538.59479	0.3
552.25458	0.6
555.24738	0.3
597.33167	2.3
615.34088	100.0
616.34399	22.9
640.39130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.4
58.00594	0.9
58.27773	0.6
59.01382	64.7
60.01699	0.9
60.99300	1.9
61.98834	100.0
71.01390	11.5
71.74302	1.1
72.01713	0.7
72.99325	2.3
73.02966	7.2
73.57570	0.6
75.00896	2.1
82.15538	0.6
83.01395	4.1
83.05067	0.9
85.02957	3.1
87.00896	3.0
87.13876	0.7
88.98818	9.0
89.02457	7.2
93.03477	2.3
95.01402	1.2
96.96014	1.1
97.02943	0.6
97.06664	0.7
97.18825	0.6
99.00883	0.8
99.04536	1.2
101.02455	9.7
107.01417	1.5
107.05064	1.2
109.02958	1.0
111.00895	0.9
113.02457	6.0
119.03561	3.3
119.05045	35.2
120.05381	1.5
120.99761	0.8
121.02985	1.7
122.03385	0.9
123.00913	2.4
123.04543	1.4
124.01707	0.8
125.02473	6.8
131.03525	1.0
131.05077	2.6
133.02985	0.9
134.03777	0.8
135.04570	6.0
137.02486	1.0
137.06154	1.4
139.00420	0.9
143.03558	1.0
146.03741	4.7
147.04552	37.1
148.04947	1.6
149.04652	1.2
149.06107	1.3
151.00418	1.7
152.01152	0.7
161.04626	1.9
161.06094	1.4
163.04115	1.4
165.05611	7.0
165.12953	0.8
166.06441	0.7
168.00705	0.9
169.01472	7.4
179.03424	0.8
179.05675	0.8
181.05150	0.6
189.05649	2.7
191.07204	1.2
195.06578	0.8
207.13979	2.6
209.11790	4.2
225.14964	6.3
227.12907	31.6
228.13263	2.4
233.11873	0.9
251.12920	2.1
255.03065	1.6
269.13983	4.4
271.02475	1.7
287.15024	5.8
288.15338	0.8
300.02795	5.4
301.00507	0.8
301.03516	4.4
309.09821	2.0
327.10986	2.6
369.12088	2.4
449.20496	2.0
463.08810	6.0
464.08994	1.2
499.26083	0.9
552.27795	2.2
555.34253	0.8
579.24622	2.5
597.25696	18.5
598.25824	3.2
615.26837	90.9
616.27106	16.9
641.74420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75859	1.0
55.01880	1.8
57.03447	4.4
58.00598	8.0
59.01378	41.6
60.01711	2.9
61.01816	1.2
61.09835	1.1
61.19361	1.2
61.98834	85.7
62.91442	1.1
69.03452	1.8
71.01391	16.9
71.74645	1.8
72.99305	2.3
73.02947	6.9
79.24265	1.0
83.01408	3.1
83.05012	1.5
85.02957	9.6
87.00883	8.1
89.02478	3.8
91.12409	1.0
93.03479	1.4
95.01431	1.4
96.96037	2.6
97.02967	1.9
97.06621	1.8
99.00877	2.4
101.02460	11.3
109.02992	1.9
111.00922	1.5
111.08183	3.9
112.62025	1.1
113.02473	8.6
119.03513	2.1
121.02932	1.3
123.00893	2.1
125.02473	5.3
125.06123	1.5
131.03519	1.5
132.35318	1.0
136.01631	2.0
137.02457	11.6
138.03262	1.8
139.11307	11.2
140.11638	3.6
141.01978	1.4
149.02475	2.8
150.03253	1.4
151.00446	2.8
151.04019	2.8
152.01123	1.1
152.04834	2.7
152.59737	1.2
153.05672	1.2
159.02997	1.3
161.04597	3.5
163.11360	1.6
164.01193	1.7
164.88393	1.1
165.01958	91.0
165.09277	1.2
165.12880	23.8
166.02516	5.5
167.03471	1.9
167.07123	2.6
169.01378	2.6
171.10353	3.2
177.01956	16.4
178.02708	4.5
179.03534	27.5
179.05196	2.0
179.07149	1.1
180.04305	71.6
181.04913	8.7
181.12358	2.7
183.10304	10.9
183.13924	44.2
184.03691	2.0
184.10620	3.5
184.14291	3.0
189.12766	1.5
192.04291	7.6
193.05084	4.4
194.05878	11.5
195.03036	5.5
195.06650	100.0
196.07025	5.7
197.15459	1.5
203.10960	1.1
207.06609	2.9
207.10213	2.0
207.13942	2.8
209.04652	2.5
209.08228	1.6
209.11844	4.2
210.05319	9.3
211.05862	1.7
221.15504	3.8
223.13467	2.4
225.07701	73.1
225.11371	4.1
225.14929	1.4
226.08049	3.3
226.11462	1.3
227.12897	24.8
228.13075	1.5
231.13956	2.9
233.11816	4.0
243.12276	2.0
249.15070	2.9
251.12854	7.5
265.14407	4.9
269.13943	2.1
275.12952	3.1
283.02432	1.2
293.14001	22.5
294.14401	2.1
311.15039	1.5
357.11890	13.4
371.17139	12.2
387.12924	2.8
405.13651	1.3
443.19281	3.7
483.29614	2.9
523.26068	1.8
542.16968	1.1
552.25409	1.2
567.24493	33.8
568.24945	6.4
579.24512	2.6
597.25421	35.4
598.25739	6.3
614.32867	1.9
615.26257	47.8
615.33484	57.5
616.26965	11.4
616.34485	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	615.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29263	0.7
59.01377	19.3
60.99302	1.1
61.98832	38.8
67.01910	1.4
69.42730	6.7
69.43066	1.3
71.01385	6.7
72.99319	6.3
73.02962	2.2
75.00871	0.6
83.01432	0.8
85.02976	2.0
87.00916	0.8
88.98814	9.9
89.02465	3.5
89.99178	1.3
90.99249	1.4
91.00387	0.7
91.20127	0.7
94.83092	0.7
95.01408	0.8
96.96026	2.1
98.20554	1.4
99.00881	0.7
99.92602	0.8
101.02432	2.9
107.01432	1.3
109.02974	2.3
111.00909	0.6
113.02467	2.2
116.92868	4.5
117.01957	1.0
121.02979	1.6
122.03757	2.0
123.00892	2.7
123.04529	1.6
124.01691	1.1
125.02489	6.1
135.04553	1.1
136.01698	2.9
136.05299	0.9
137.02464	17.7
137.09856	0.6
138.03009	0.7
139.00403	1.2
139.04033	1.5
139.07750	0.8
139.11346	1.9
149.02472	3.8
149.04614	0.6
149.06024	0.8
149.99617	1.1
150.03246	13.6
151.00424	3.6
151.04018	3.1
152.01164	0.9
153.02016	1.6
160.01692	0.9
160.04056	2.7
163.04018	2.5
163.07597	0.6
164.01164	3.3
164.04788	1.1
165.01947	100.0
165.05591	13.5
165.12878	1.0
166.02322	4.8
166.06058	0.7
167.03534	0.7
167.07172	0.6
168.00658	1.8
169.01411	4.6
175.03983	0.8
177.01880	0.8
177.05530	0.9
179.03514	27.4
179.07118	2.2
180.04294	64.1
181.04825	4.9
181.08740	1.0
181.12419	0.8
183.10242	2.6
183.13989	0.6
187.09758	0.6
188.04892	0.7
190.06378	1.2
193.05031	1.3
194.05859	6.4
195.03087	2.9
195.06633	83.0
196.07011	6.5
205.08778	1.3
207.06686	1.1
207.13849	0.6
209.11909	1.1
210.05356	12.3
211.05754	1.0
211.78937	0.6
222.33626	0.6
223.09903	0.7
225.07686	72.1
225.11336	2.0
226.08076	4.9
227.12892	2.8
257.11993	0.8
270.08875	1.2
271.02377	1.1
285.11160	1.2
286.08334	1.0
296.06897	0.8
297.11520	0.8
298.08432	1.0
299.09457	0.9
299.12918	0.9
300.02731	1.2
301.10468	0.7
311.09454	1.2
313.10861	0.7
314.07941	1.5
325.10843	1.3
327.12390	2.5
328.09525	1.0
328.13049	4.9
329.10199	4.8
329.13663	1.1
330.10870	1.4
341.10245	5.1
341.13855	1.1
342.10559	0.7
343.15530	1.3
344.12613	7.0
345.13010	0.9
355.12036	1.0
356.12759	2.6
357.13214	1.1
359.15018	17.9
360.15292	2.1
371.14996	14.9
372.15265	2.0
373.12891	0.7
389.16129	7.1
405.14996	0.7
445.09592	5.7
463.25470	1.3
495.65030	0.8
523.19403	0.8
537.22107	3.7
553.14410	0.7
567.22382	50.5
568.22778	11.9
585.22864	1.6
597.24365	1.3
615.23914	8.3
615.33319	12.5
616.26007	2.3
616.33948	2.5
622.66217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.101
Annotation	Quercetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
55.12627	0.4
59.01381	4.9
60.99300	1.3
61.98834	31.5
63.02391	1.0
65.00327	6.6
69.03434	0.7
71.01385	5.5
71.74171	1.1
72.99313	1.1
73.02946	1.4
75.00867	0.7
77.65327	0.4
78.95906	0.6
83.01392	3.5
85.02959	2.8
87.00873	0.7
88.98817	10.6
89.02448	1.5
93.03468	2.1
94.86792	0.5
95.01385	1.1
96.96006	1.0
97.02962	0.8
99.00882	0.9
101.02461	3.3
107.01409	16.0
108.01714	1.0
109.02966	2.1
111.00916	1.0
113.02452	2.0
116.92915	0.7
121.02973	6.0
123.00901	4.9
123.04529	0.8
124.01714	1.2
125.02465	27.2
126.02776	1.2
131.01392	0.8
131.03496	1.4
133.02940	0.6
135.04527	0.8
137.02448	1.8
139.00400	1.8
139.04005	1.2
140.01151	1.7
141.01855	0.5
145.02924	0.6
149.02431	1.5
150.03175	0.7
151.00394	46.7
152.00810	1.6
153.01958	1.0
159.04483	0.8
161.02451	0.7
161.04552	0.9
163.00360	1.1
165.01901	2.7
167.03493	0.7
168.00662	2.1
169.01447	43.5
170.01744	1.5
175.00354	2.6
177.01897	0.8
178.99886	6.5
179.03461	1.0
180.04266	0.6
181.05084	0.8
183.10269	0.6
192.00592	0.5
193.01405	1.8
195.03094	0.6
195.06569	0.9
203.03699	0.6
211.02449	4.1
217.01369	0.8
226.02817	0.5
227.03491	0.6
227.12689	0.5
229.05066	0.6
241.03470	1.3
255.02966	1.4
257.04608	1.1
265.48584	0.6
271.04510	3.2
276.77548	0.5
277.03522	0.7
292.36954	0.5
300.02835	4.8
301.03546	60.4
302.03842	5.6
313.05664	19.4
314.05905	1.3
341.06512	0.6
366.04633	0.6
421.07721	0.6
454.19531	0.6
465.06766	7.6
466.07098	1.2
483.29620	2.1
484.29633	0.6
493.06177	1.7
553.19073	2.9
555.33563	0.8
615.10046	100.0
615.22131	3.3
615.25153	2.5
616.10413	20.6
616.20721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.102
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
57.03452	0.7
59.01383	15.5
60.01711	1.0
61.98834	11.4
65.00327	1.7
69.03464	0.5
69.49289	4.3
71.00980	0.5
71.01385	8.7
72.01712	1.0
72.99311	0.9
73.02963	3.4
81.03442	0.5
83.01407	1.8
85.02959	3.1
85.31241	0.4
87.00888	0.7
88.39709	0.4
88.98821	4.3
89.02464	4.8
91.52097	0.4
93.03479	0.5
95.01383	0.8
96.96021	1.3
98.51826	0.4
99.00902	0.5
101.02459	7.3
102.02836	0.6
107.01427	5.6
108.02197	1.2
109.02973	1.3
111.00859	0.5
113.02482	1.7
116.92844	0.9
119.03525	1.5
120.99700	1.0
121.03000	2.5
121.03719	0.4
123.00891	2.9
123.04567	0.7
125.02462	16.2
126.02746	0.8
135.00932	0.5
137.02472	0.8
137.14644	0.4
139.00443	0.8
140.01155	0.6
148.01727	1.0
149.02446	0.6
149.04634	0.6
150.03239	0.9
150.99139	0.7
151.00389	13.2
151.04013	0.6
153.01978	0.9
161.02438	0.6
161.04634	0.5
163.00339	2.7
163.04085	0.5
163.06152	1.0
164.01134	0.8
165.01968	0.6
165.05588	0.6
167.03629	0.5
167.19728	0.4
168.00670	1.5
169.01448	18.6
170.01743	0.6
171.04448	0.4
177.02095	0.5
178.99866	6.1
181.07196	1.9
182.07423	0.7
187.04062	1.0
190.99924	0.6
191.03612	0.5
191.05620	0.4
192.00648	0.7
195.06638	0.6
211.02405	2.2
211.04169	0.6
215.03503	0.5
216.04172	0.5
226.02750	1.2
227.03522	1.9
227.12854	4.0
228.13217	1.6
229.13498	0.7
241.00278	0.4
241.03627	0.7
243.02975	7.2
244.03505	1.2
245.04581	1.3
253.03435	0.6
254.02284	1.6
255.02982	23.0
256.03467	1.9
266.02213	0.5
271.02417	42.2
272.02902	5.2
273.03961	1.3
283.02533	2.3
299.01990	1.1
300.02765	99.1
301.03476	50.8
302.03983	3.1
313.05688	3.6
325.11298	0.5
326.11697	0.7
343.04480	0.6
343.12735	0.5
344.12811	0.8
386.13742	0.7
389.50034	0.4
393.28363	2.2
445.07520	0.5
463.08817	30.5
464.09262	3.1
553.19232	7.6
555.33954	5.6
596.26434	0.6
597.26672	0.7
614.17853	0.9
614.27606	12.4
615.10077	100.0
615.26605	15.3
616.10431	18.1
616.18256	0.4
616.27179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59262	0.1
55.08675	0.1
59.01377	2.7
60.99311	1.0
61.98832	100.0
65.22872	0.1
65.37149	0.1
71.01403	0.6
71.75970	0.3
72.31502	0.2
72.99325	0.6
73.02962	0.3
75.00867	0.3
85.02986	0.2
87.00905	0.2
88.72910	0.1
88.98817	6.9
89.02458	0.5
89.99158	0.5
93.03497	0.2
96.96011	0.4
101.02473	0.4
119.03617	0.2
119.05045	1.3
121.03006	0.2
125.02454	0.5
131.05060	0.2
137.02531	0.2
147.04564	1.5
147.82921	0.1
151.00394	0.3
165.01961	0.2
165.05653	0.5
169.01471	0.4
195.06688	0.3
207.13943	0.2
225.14957	0.2
227.12910	1.4
269.13867	0.3
287.15155	0.2
300.02863	0.5
301.00101	0.3
301.03662	0.5
359.51492	0.2
418.17999	0.2
463.09024	0.4
496.68759	0.2
551.27301	0.3
597.25128	0.8
615.10834	0.2
615.26678	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	614.211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.2
60.01710	0.2
60.99304	0.5
61.98833	100.0
62.98520	0.2
63.99258	0.3
65.18179	0.1
71.01383	1.1
71.76381	0.3
72.99316	0.6
73.02952	0.4
75.00920	0.3
83.01387	0.3
83.05054	0.2
85.02961	0.4
87.00880	0.4
88.98820	3.1
89.02444	0.8
93.03476	0.3
95.48072	0.1
96.96031	0.5
101.02483	0.8
107.01426	0.2
109.02996	0.3
110.02518	0.4
113.02483	0.4
116.92799	0.3
119.05022	0.3
120.99570	0.1
121.03021	0.3
123.00906	0.8
123.04572	0.2
124.01663	0.2
125.02466	1.5
126.02836	0.2
131.03505	0.2
135.04564	0.3
136.01744	0.2
137.02495	0.6
139.00427	0.3
139.04030	0.2
139.11334	0.5
143.93002	0.2
145.03006	0.2
150.03304	0.5
151.00403	0.6
151.04015	0.2
153.02017	0.3
161.02470	0.2
161.04546	0.2
163.04074	0.4
165.01984	1.4
165.05637	0.3
165.12968	0.3
166.02333	0.5
168.00682	0.6
169.01474	1.8
170.01848	0.4
177.02005	0.3
179.03534	0.3
180.04253	0.9
181.04941	0.5
181.08846	0.1
181.12466	0.2
182.02269	0.2
183.02995	1.9
183.04257	0.1
183.10283	0.6
183.13904	0.5
195.06656	1.2
196.07033	0.5
209.11948	0.2
210.05342	0.2
211.02448	0.7
211.06488	0.1
212.02934	0.2
225.07719	1.1
225.11259	0.2
226.08044	0.5
227.03616	0.5
227.12943	1.0
243.12418	0.3
255.03055	0.9
255.16051	0.2
256.03546	0.3
269.13919	0.2
271.04651	0.6
272.04800	0.3
284.03345	0.6
285.04007	1.6
286.04465	0.2
287.14987	1.0
297.78552	0.1
300.99924	0.3
327.05069	0.3
331.11942	0.2
388.15115	0.2
389.18167	0.6
421.28021	0.2
438.08395	1.0
439.08868	0.2
449.20673	0.5
510.86426	0.1
518.91718	0.2
551.25116	2.3
552.25287	0.3
593.13165	0.4
594.13782	0.2
597.25806	0.2
610.91443	0.2
614.13806	0.3
614.26190	1.3
615.26178	2.8
635.14624	0.3
636.15552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
61.98833	100.0
62.98535	0.2
69.53027	0.6
69.53441	0.3
71.01369	0.1
84.62260	0.1
88.98834	0.4
89.02491	0.1
103.22009	0.1
107.01402	0.1
107.79652	0.1
111.00874	0.1
113.02426	0.1
121.02964	0.1
123.00906	0.1
123.04553	0.2
125.02477	0.3
128.94362	0.1
137.02496	0.1
144.84415	0.1
144.96181	0.1
149.05971	0.1
150.03264	0.4
151.00450	0.2
153.02025	0.2
153.98857	0.1
165.02013	0.2
165.05637	0.4
168.00633	0.1
169.01465	0.4
179.03581	0.1
180.04286	0.1
181.05029	0.1
183.02988	0.1
195.06601	0.5
225.07713	0.1
237.70787	0.1
255.03188	0.1
271.02362	0.1
300.02792	0.4
301.03702	0.2
313.05710	0.2
419.17435	0.2
438.08209	0.2
503.61728	0.1
525.23651	0.2
532.39856	0.1
551.25275	0.3
553.72461	0.1
567.22003	0.1
615.09943	0.8
615.26794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04554	0.2
59.01376	2.3
61.98830	100.0
62.98516	0.2
62.99237	0.2
71.01395	1.0
72.99307	0.3
73.02940	0.3
75.00877	0.2
79.95737	0.3
80.96535	0.2
83.01380	0.2
85.02986	0.4
87.00893	0.3
88.98837	0.5
89.02467	0.6
95.01416	0.2
96.27777	0.1
96.96021	2.0
101.02459	0.7
107.01427	0.3
109.02982	0.9
111.00893	0.3
113.02508	0.2
116.92905	0.3
120.99726	0.2
123.00917	0.4
123.04527	0.4
125.02467	1.0
131.05078	0.2
133.03055	0.2
135.04567	0.2
136.99181	0.2
137.02477	0.4
139.00432	0.2
141.33694	0.1
147.04625	0.3
149.02509	0.2
150.03256	0.5
151.00430	0.4
151.03917	0.3
152.01270	0.2
153.02008	0.2
161.02460	0.3
162.06940	0.1
163.04013	0.2
165.01981	0.2
165.05554	0.3
167.03560	0.3
168.00606	0.2
169.01410	1.2
175.07709	0.2
177.01962	0.7
181.05200	0.2
189.01961	1.1
190.02397	0.5
191.03624	0.2
191.05721	0.2
195.06650	0.2
211.06238	0.2
217.01416	0.9
218.01968	0.4
219.03027	0.3
220.03297	0.3
227.12921	0.3
228.13251	0.2
231.02914	0.2
241.00232	2.6
287.14920	0.2
300.02759	0.3
301.00192	0.3
301.03635	0.8
329.14023	0.2
341.06586	0.9
342.07040	1.4
343.07385	0.3
364.99417	0.2
373.12961	0.4
374.12463	0.2
451.10629	0.6
452.10596	2.2
453.11020	0.4
463.08728	0.2
504.33572	0.2
551.21472	0.5
555.34027	0.3
614.16553	0.4
614.26190	1.8
615.14111	0.7
615.24115	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03444	1.3
58.00593	0.9
59.01378	49.8
60.01723	0.5
61.98831	4.6
69.03455	0.9
69.47968	3.2
71.01385	17.8
72.01681	0.4
72.99308	1.2
73.02949	11.0
75.00891	0.6
83.01385	2.9
83.05051	0.4
85.02958	6.9
87.00867	2.0
87.04548	0.6
89.02451	13.1
93.03434	0.4
95.01380	1.0
95.05047	0.4
97.02963	1.1
97.06635	0.4
98.19843	0.7
99.04547	1.4
101.02455	16.9
102.02792	0.4
109.02950	1.1
111.00859	0.5
111.04522	0.4
113.02454	7.0
115.04020	0.5
116.92895	0.5
119.03517	4.7
121.03019	0.4
125.02457	2.0
127.04062	0.5
131.03508	1.3
137.02451	0.7
143.03535	1.4
145.02887	0.4
145.05092	0.9
149.04585	0.5
150.03271	0.5
151.00363	0.6
161.04518	2.0
163.06152	4.9
165.12834	0.6
169.01459	1.7
177.01909	1.7
179.05605	1.9
179.07086	0.6
181.01561	0.4
181.07184	9.8
189.01955	1.3
190.02631	0.6
194.02158	0.4
205.07161	1.4
207.13911	1.3
209.04384	0.8
209.11792	2.4
217.01453	0.5
225.11270	0.4
225.15001	2.2
227.12885	12.3
228.13187	1.6
233.11945	0.4
251.12888	0.9
269.13922	1.6
275.02078	0.5
287.14972	2.1
288.15234	0.4
323.05685	0.7
325.11505	3.7
341.06717	1.4
343.12454	5.4
364.25659	0.4
385.13422	2.0
388.10962	0.4
421.24088	0.4
451.10196	1.0
466.50064	0.4
540.29333	0.4
553.32153	0.6
592.09851	0.4
595.18811	0.4
595.26385	3.3
596.26764	0.7
613.27209	100.0
614.27576	18.9
614.37524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
58.00610	0.4
59.01379	23.8
60.01718	0.7
60.99308	2.8
61.98832	100.0
62.98528	0.7
63.99267	1.1
67.21620	0.4
69.03444	0.6
71.01391	6.7
72.99316	5.5
73.02946	4.0
78.95934	0.5
81.03469	0.6
83.01399	4.1
85.02962	2.3
87.00894	0.9
88.98815	23.1
89.02458	2.6
89.99152	0.9
90.99241	0.8
93.03497	1.2
95.01400	0.7
95.05071	0.6
96.96018	2.6
97.02978	0.8
97.06641	0.6
99.00917	1.1
101.02451	3.8
107.01397	1.0
107.05058	1.3
108.02189	0.8
109.02967	5.2
109.06598	2.3
110.02468	0.5
111.00906	1.2
113.02436	2.4
116.92890	1.0
117.03442	0.4
119.03567	0.7
119.05054	4.6
120.05327	0.4
121.02972	4.8
121.06600	0.5
122.03754	1.4
123.00899	1.4
123.04551	1.5
124.01657	0.8
125.02459	6.0
133.02916	0.5
135.04526	5.5
136.01668	1.6
136.04863	0.6
137.02483	2.5
137.06107	19.0
138.06444	0.7
139.00406	1.1
139.04005	0.5
143.03520	0.6
146.03775	0.8
149.02472	1.3
149.06079	0.6
150.03261	3.5
151.00375	1.9
151.04076	2.1
151.07648	0.9
151.54732	0.4
152.01144	0.7
153.00883	0.5
153.01903	1.9
153.05681	0.6
161.02455	0.8
161.04582	0.6
163.03989	2.0
163.07620	0.8
164.04726	0.5
165.01941	2.8
165.05577	2.9
166.02676	0.8
167.10718	0.5
168.00677	1.1
169.01434	6.6
170.01790	0.4
177.01941	1.4
179.03531	0.9
179.07123	0.8
179.10667	0.5
180.04359	2.0
180.07567	0.4
181.05081	52.8
182.05473	2.4
191.03569	0.6
192.00604	0.5
192.04195	0.5
195.06618	4.0
196.06995	0.5
198.53845	0.4
207.02934	0.8
207.10220	0.4
207.13972	0.9
209.11839	1.8
211.02461	0.6
223.05951	0.8
225.07664	1.7
225.11308	0.5
225.14983	1.3
227.03406	0.4
227.12888	6.3
233.11865	0.5
243.12325	0.6
255.02911	0.6
255.16014	2.2
257.85007	0.4
269.13962	2.0
271.04556	1.2
277.58572	0.4
284.03232	1.3
285.03860	1.1
287.14911	3.9
300.02713	0.4
300.99759	0.5
301.03177	0.6
302.03821	0.6
303.03696	0.8
305.06702	1.2
325.09354	1.1
341.06708	0.7
343.10281	2.9
343.13861	0.6
385.11450	3.1
386.11346	0.5
387.14331	1.2
393.06238	0.6
413.21570	1.3
421.28171	2.2
431.19006	1.4
438.08423	0.9
451.26968	0.9
467.11496	0.5
503.09628	1.7
507.30167	0.4
517.37616	0.4
523.21924	0.7
550.23547	0.7
551.25507	4.1
553.32050	0.8
565.20813	1.3
595.24170	2.5
596.23486	0.5
613.24896	46.4
614.14923	0.6
614.25092	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	613.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.8
59.01380	27.5
60.99303	1.5
61.98832	56.0
67.01919	0.7
67.44664	0.5
69.03452	0.7
71.01382	14.9
71.01749	1.0
71.73685	0.7
72.99312	3.8
73.02953	7.9
74.99094	0.5
75.00877	1.5
76.48339	0.5
78.95922	0.8
81.03499	1.0
83.01411	3.0
85.02966	4.3
87.00893	1.7
88.98811	8.3
89.02457	10.8
93.03484	2.4
95.01413	1.9
96.96031	1.9
97.02979	0.8
99.00877	1.1
99.04549	3.5
99.92547	0.7
101.02452	8.1
107.01395	4.5
108.02224	1.0
109.02972	1.6
111.00873	3.1
113.02469	4.8
116.92872	6.8
117.92865	0.6
119.03528	3.1
119.05035	2.8
120.99661	0.8
121.02982	1.8
122.03764	0.8
123.00911	6.3
123.04538	1.2
124.01740	2.0
125.02465	33.8
126.02778	1.2
127.00394	0.9
135.04561	4.1
136.98836	1.2
137.02475	3.4
139.00356	2.8
139.04144	0.6
140.01166	3.5
141.01936	0.7
145.03014	0.7
147.00854	0.6
149.02464	2.9
150.03238	7.7
151.00365	4.0
151.04022	5.5
152.01068	0.9
153.01970	2.3
161.02455	0.6
161.04608	0.8
162.03156	0.9
163.00383	2.4
163.04037	5.3
165.01939	3.1
165.05556	7.6
166.02751	1.4
167.03513	2.1
168.00662	15.5
169.01440	40.9
170.01758	2.0
175.63802	0.6
179.03549	1.6
179.05594	1.3
180.04240	1.5
180.07797	0.6
181.01463	2.1
181.05086	5.8
183.03017	0.7
191.03519	0.9
193.01317	0.9
195.06647	5.4
205.01474	1.1
205.05112	0.8
207.13934	1.0
209.11768	0.7
210.05412	1.1
211.02490	66.7
212.02826	3.7
225.07626	2.7
225.14995	0.8
227.12910	4.0
241.03535	1.2
269.14041	1.1
271.04578	87.4
272.04901	6.5
281.06647	0.9
281.17566	9.9
282.17929	1.0
287.14975	8.0
288.15198	0.9
300.99982	1.1
313.05511	3.2
325.11456	0.6
331.06714	22.1
332.07074	1.3
389.18051	1.5
417.15701	1.5
433.07501	1.4
449.20499	3.4
461.23953	4.2
508.17343	0.9
523.19830	5.8
550.25085	1.1
551.21155	7.3
565.21088	1.8
613.16400	3.9
613.25128	100.0
614.16089	1.5
614.25531	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	613.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96165	0.4
58.00595	0.6
59.01379	19.5
60.03505	0.4
60.99307	2.9
61.98833	100.0
63.99255	0.5
71.01392	6.8
71.71962	0.7
72.99313	2.9
73.02962	1.5
75.00902	1.1
75.81390	0.3
79.75612	0.3
83.01408	1.6
85.02977	1.5
87.00898	1.0
88.12640	0.3
88.98818	21.5
89.02453	11.6
93.03468	1.0
96.96030	0.4
97.02988	0.5
97.57815	0.4
101.02451	4.9
108.02187	0.6
109.02969	1.0
113.02481	3.5
116.92891	1.3
119.03603	4.5
119.05044	24.5
120.05418	1.2
120.99680	1.2
121.02973	21.7
122.03288	0.6
123.00844	0.4
125.02470	2.4
125.52502	0.3
131.03526	0.9
132.02133	0.5
135.04523	0.5
137.02486	1.2
143.03505	1.3
145.59319	0.4
146.09268	0.4
149.04565	0.6
150.03247	1.0
151.00433	0.7
161.04546	2.1
163.03992	0.7
163.99211	0.4
165.05554	0.5
166.06372	21.0
167.06738	1.5
167.10864	0.4
169.01457	1.9
179.05643	7.6
181.05215	1.9
181.08716	13.4
182.05830	1.4
182.09053	0.8
195.06564	0.4
196.07339	0.6
197.08144	1.2
209.08157	0.6
209.11951	0.5
211.09804	1.9
225.14960	0.6
227.12878	3.6
241.77188	0.4
269.13928	0.5
287.15024	0.9
327.12939	0.4
327.84814	0.4
333.44498	0.5
343.10712	1.0
369.71292	0.5
371.13608	0.7
373.15729	0.6
385.11548	0.8
391.17673	1.0
431.13837	0.5
431.19260	0.5
445.12350	0.5
551.27386	1.0
553.23138	1.5
554.23169	0.5
595.23907	1.1
613.25220	20.4
614.25555	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	611.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.9
58.00602	1.0
59.01379	68.4
60.01707	0.7
60.99316	0.8
61.98835	11.8
65.51653	0.5
71.01394	4.9
73.02944	2.8
76.44901	0.5
83.01376	0.6
83.05053	0.7
85.02961	2.2
87.04523	1.3
88.98817	2.6
89.02452	1.4
95.01424	0.8
95.05034	0.7
98.19798	1.1
99.00880	0.7
99.04492	0.8
101.02444	5.1
103.02728	0.6
109.06625	1.3
111.08218	0.7
113.02475	1.8
123.08189	1.1
125.02457	1.8
127.07729	0.6
137.09755	0.8
139.11305	34.8
140.11674	1.4
143.03426	0.5
151.11334	0.9
151.81293	0.5
153.09268	2.2
161.04622	0.7
161.09758	0.6
163.11305	2.1
165.09239	2.6
167.10802	0.8
169.12421	2.4
179.10738	2.4
181.12352	17.8
182.12706	0.8
183.10272	48.1
184.10646	1.9
186.89090	0.5
195.13895	0.9
197.11906	1.6
199.13416	5.0
200.13823	0.5
205.12355	1.6
206.02344	0.6
207.10257	1.1
210.11307	0.5
225.11320	27.0
226.11693	1.6
227.12956	0.6
239.12906	0.8
240.70276	0.5
243.12363	94.3
244.12708	5.5
244.44217	0.5
257.14005	2.3
267.12421	1.1
281.88138	0.6
285.13431	32.4
286.13809	2.0
287.14917	0.8
315.14493	9.4
316.14725	1.3
327.14374	0.6
345.15546	40.7
346.15860	3.4
387.16516	1.0
405.17654	52.6
406.17923	5.1
433.98450	0.5
593.29926	1.2
611.30859	100.0
612.31189	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	612.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45445	0.1
57.03468	0.2
59.01377	3.7
60.99309	3.1
60.99630	0.1
61.98832	100.0
62.98541	0.3
63.99257	0.5
64.87252	0.1
71.01389	1.2
71.72092	0.2
72.01725	0.2
72.99322	0.4
73.02943	0.5
75.00880	0.2
75.09418	0.1
79.47641	0.1
79.63696	0.1
83.01392	0.4
83.04993	0.1
85.02955	0.6
86.00105	0.1
87.00886	0.6
88.00421	0.6
88.98815	21.1
89.02451	1.4
89.99137	0.4
93.03513	0.2
93.24043	0.1
95.01395	0.2
96.96007	0.2
97.02966	0.1
99.00905	0.1
99.04561	0.2
101.02468	0.8
107.01427	0.1
108.02171	0.4
109.02972	0.3
113.02438	0.4
116.92853	0.3
119.04999	0.3
121.02954	0.4
123.00898	0.2
123.04568	0.6
125.02463	0.9
135.04485	0.3
136.05334	1.8
137.02458	0.5
137.06075	0.1
139.00385	0.2
139.03952	0.1
148.05293	0.1
149.02467	0.1
149.04562	0.2
149.06004	0.2
150.03204	0.3
150.06798	0.3
151.00345	0.3
151.04002	0.2
151.07672	0.9
153.01935	0.2
161.02475	0.2
161.04527	0.2
162.05640	0.2
162.06827	0.5
163.03979	0.2
163.07651	1.0
165.01968	1.0
165.05568	0.6
166.02727	1.0
166.06279	0.1
168.00632	0.1
169.01489	0.7
179.03496	0.4
179.07111	0.2
179.10796	0.1
180.04323	0.8
180.07947	1.1
181.01427	0.2
181.05078	0.7
181.08725	2.5
183.10281	0.1
191.03366	0.1
195.06636	1.1
209.11967	0.2
211.02444	0.1
225.07707	0.9
225.14824	0.3
227.12920	1.4
243.12286	0.3
244.12480	0.2
255.15860	0.2
257.08133	0.7
258.08533	0.7
269.13757	0.3
285.03931	0.1
287.14813	0.4
313.05600	0.2
325.12500	0.1
345.15509	0.1
385.14822	0.2
420.26263	0.1
421.27856	0.2
431.18951	0.2
449.19888	0.1
450.27036	0.2
480.32086	0.2
523.21741	0.3
549.23108	0.8
553.32092	0.2
565.20184	0.2
595.27301	0.3
612.24060	0.4
613.28827	6.0
613.40497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.6
58.00586	0.7
59.01378	54.8
60.99296	0.9
61.98822	15.1
71.01371	4.4
72.99310	0.7
73.02944	3.5
82.50055	0.7
83.05022	1.8
85.02965	1.6
87.00932	0.8
87.04511	1.5
87.94870	0.6
88.98799	1.4
89.02444	1.5
101.02442	5.1
103.00418	0.9
109.06567	0.7
113.02484	1.4
139.11308	33.3
140.11649	1.5
151.11246	0.8
161.04601	0.9
163.11319	2.1
165.09236	1.7
167.20752	0.7
169.12360	2.3
179.10779	2.0
180.80936	0.6
181.12361	19.5
182.12589	1.1
183.10277	45.9
184.10591	2.4
192.00685	0.6
197.11865	1.6
199.13408	8.5
205.12367	1.5
225.11317	22.3
226.11652	1.1
229.85788	0.7
239.12646	0.9
242.04485	0.7
243.12355	100.0
244.12778	8.3
257.13849	3.2
267.12424	1.0
285.13422	34.5
286.13754	3.1
315.14554	7.8
345.15543	36.4
346.15784	3.8
387.16449	0.9
405.17657	58.4
406.17981	7.0
439.11453	0.7
498.42694	0.7
593.29639	2.2
598.53394	0.8
611.30884	86.8
612.31238	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	611.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56597	0.3
57.03455	1.6
58.00596	0.3
59.01382	37.1
60.01714	0.4
61.98506	0.6
61.98832	10.3
69.29144	0.2
69.54476	0.5
69.54884	2.0
71.01386	5.0
73.02601	0.3
73.02946	2.0
83.01404	0.7
83.05038	0.6
85.02967	1.3
87.04545	0.4
88.98831	0.8
89.02439	1.8
95.01411	0.4
95.05043	0.4
97.02989	0.3
97.06632	0.3
99.00894	0.5
99.04566	0.4
101.02453	1.9
109.06595	0.4
111.08196	0.4
113.02496	1.5
119.03510	0.3
122.03756	0.4
123.08190	0.4
125.02456	0.4
131.29625	0.3
136.05315	1.1
137.09770	0.5
138.06856	1.5
139.07689	0.8
139.11311	21.7
140.11646	1.1
151.07661	1.2
151.11246	0.3
152.08452	2.2
153.09241	5.2
161.04625	0.6
161.09775	0.9
163.11302	2.1
165.09209	0.6
169.12363	1.0
179.10788	1.0
181.12378	6.7
182.12758	0.3
183.10291	24.7
184.10629	1.1
190.10078	0.3
195.13997	0.7
197.11882	0.9
199.13461	0.6
205.12344	5.3
206.12617	0.5
207.10345	0.7
223.13394	1.1
225.11345	7.6
226.11774	0.4
239.13052	0.4
243.12366	7.7
243.14867	0.4
244.12785	0.5
285.13583	0.8
315.14240	0.3
345.15515	1.0
375.21548	0.3
405.17563	2.0
407.68304	0.3
454.59067	0.3
549.29962	0.3
551.28546	0.6
593.29846	1.9
594.29895	0.4
611.30853	100.0
612.31207	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	611.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19869	0.5
55.01881	0.5
57.03454	4.8
58.00589	0.4
59.01381	34.0
61.98832	11.0
69.03419	0.5
69.91219	1.0
69.91637	2.0
70.07928	0.3
71.01387	4.4
73.02946	2.3
75.08276	0.4
83.01391	1.7
83.05048	0.9
85.02958	1.9
87.04535	1.1
89.02462	1.2
95.05025	0.9
97.02989	0.6
97.06613	0.5
98.20605	0.5
101.02473	2.7
105.01982	0.8
107.05032	0.5
109.06602	2.2
111.08223	0.5
113.02441	1.9
123.04520	1.9
123.08164	1.1
125.02435	0.5
127.07660	0.5
130.22743	0.4
130.63620	0.4
135.08170	0.8
136.05302	0.5
137.06061	0.7
138.06955	0.6
139.07680	0.6
139.11307	14.5
140.11600	0.8
147.08160	1.4
149.09737	1.0
150.03246	1.0
151.07707	1.3
151.11320	1.3
152.08357	0.6
153.09230	4.1
161.04669	0.5
161.09729	1.6
163.11319	2.9
164.08464	0.5
164.68794	0.4
165.05563	0.7
165.09183	1.2
169.12299	0.9
175.07703	0.5
175.11285	0.5
179.03468	0.8
179.10788	11.8
181.12363	4.1
183.10274	18.5
184.10629	0.6
187.11270	3.6
189.09227	0.9
190.10109	0.6
190.99832	1.3
195.06708	0.6
195.13855	1.6
197.11850	1.6
203.10867	0.7
205.12335	13.9
205.14261	0.8
206.02144	1.6
206.12602	0.7
223.13318	2.0
225.11334	8.5
243.12367	7.6
244.12555	0.6
249.11365	0.5
263.12741	0.5
267.12271	0.9
285.13385	1.6
345.15521	0.5
405.17715	1.2
428.92023	0.5
479.32132	1.0
567.27985	1.2
593.29626	6.2
594.30048	0.9
611.30829	100.0
612.31171	21.1
612.41394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03192	0.6
57.03447	1.5
57.59735	0.7
58.00579	0.7
59.01380	87.5
59.48805	0.6
60.01688	0.9
61.98832	1.4
69.03484	0.7
69.72884	1.2
69.73287	3.5
71.01388	25.7
72.99318	0.9
73.02946	3.6
75.00890	3.1
81.40582	0.5
83.01384	5.1
85.02954	5.7
87.00867	3.3
89.02454	27.1
90.02782	0.6
90.79733	0.6
95.01408	2.0
97.02958	1.0
99.00898	0.8
99.04540	2.2
101.02460	15.4
113.02463	14.5
119.03516	10.0
125.02481	1.3
131.03516	2.5
134.67921	0.6
143.03561	2.9
149.04634	0.8
156.48546	0.6
161.04561	3.3
165.12851	1.4
179.05658	5.5
182.19850	0.5
207.13922	4.9
209.11873	4.7
225.14955	12.4
226.15359	1.1
227.12895	39.0
228.13318	2.9
237.06184	1.4
251.12907	2.4
269.13947	9.9
270.14529	0.8
287.15009	37.8
288.15240	2.0
311.15149	1.0
323.10019	1.0
329.16077	1.7
341.10913	16.3
341.15408	1.3
342.11041	0.8
359.17267	1.3
383.11697	0.8
389.18109	3.8
431.19327	3.2
449.20267	16.6
450.20444	2.5
521.22260	1.6
530.77368	0.7
551.21283	3.5
552.21796	1.0
593.24390	4.2
611.25702	100.0
612.26007	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	611.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61487	0.9
58.00598	0.9
59.01379	20.3
60.99303	1.6
61.98830	100.0
62.98525	1.5
63.99260	1.8
64.03720	0.8
69.03440	4.3
71.01392	16.2
71.67681	1.3
72.99306	2.4
73.02955	1.5
75.00885	0.9
85.02958	3.6
86.20821	0.7
87.00890	3.3
87.79857	0.6
88.98818	17.2
89.02456	19.6
90.02773	0.9
95.01410	1.9
96.96007	0.9
97.02948	3.0
101.02454	8.9
102.32131	0.7
107.01392	2.9
108.02182	1.4
109.02977	2.5
111.00890	0.9
113.02457	5.6
115.00395	1.3
116.92873	1.1
119.03526	7.5
119.05103	0.8
121.02957	2.3
123.00890	2.5
125.02463	7.5
126.21749	0.7
131.03447	1.1
132.02130	1.1
133.01418	2.4
135.04462	0.8
137.02502	1.5
143.03549	1.9
145.03004	0.9
149.04578	1.2
151.00371	5.1
151.04031	0.9
152.01271	1.0
153.01955	4.0
160.01671	2.3
161.04564	3.2
163.03990	1.0
163.06145	1.0
169.01427	2.4
177.01996	1.2
179.03568	1.0
179.05600	6.2
197.06104	2.0
242.05861	4.1
242.09566	1.3
243.06470	4.1
257.11765	2.1
270.08914	3.2
279.98669	0.7
282.08618	1.2
285.08130	0.9
285.11212	4.5
297.07614	1.5
298.08478	3.7
310.08423	2.7
311.09171	2.8
312.09830	0.9
313.10611	2.9
323.09338	1.3
324.10147	1.1
325.11047	4.8
326.07907	3.4
326.11520	2.2
327.11920	0.9
330.11081	1.7
340.13403	1.2
341.10321	27.3
342.10654	4.0
344.33188	0.7
345.13498	4.7
356.12659	9.5
357.13239	2.7
371.15012	37.9
372.15289	6.2
443.11896	12.9
444.12610	1.2
548.16638	1.0
548.24133	1.3
549.25476	0.8
551.17706	4.7
551.30493	1.0
552.17548	0.9
611.12451	1.0
611.24579	2.5
611.34668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01376	17.9
60.99302	3.9
61.98831	100.0
62.98557	1.5
63.99255	0.9
69.03455	4.4
69.78339	5.3
71.01379	12.8
72.01752	0.7
72.99300	1.1
73.02956	1.6
80.83773	0.7
83.01407	1.6
85.02954	3.4
87.00903	2.8
88.98814	31.9
89.02448	16.3
89.02979	0.9
90.02818	1.1
95.01422	1.7
97.02966	2.5
101.02451	7.7
101.78146	0.7
107.01428	2.6
108.02206	2.3
109.02978	3.8
113.02470	5.2
115.00353	1.5
119.03491	5.3
120.99617	0.8
121.02958	1.7
122.21252	0.7
123.00904	2.0
123.04581	0.7
125.02466	8.5
128.54062	0.7
133.01447	4.1
135.04478	0.7
137.02499	1.9
139.49446	0.6
143.03542	1.6
149.02570	0.8
149.04669	0.9
151.00415	5.8
151.04041	1.4
153.01926	4.3
158.18718	1.0
160.01698	2.4
161.04588	2.4
169.01384	1.1
173.38249	0.8
177.01950	1.0
179.05649	6.2
197.06122	2.1
205.07297	0.8
221.88875	0.7
242.05855	4.4
242.09564	1.5
243.06607	4.3
257.11899	1.3
270.09024	2.3
274.19101	0.7
282.09052	1.6
285.11395	3.1
297.11536	0.9
298.08286	3.8
310.08609	1.7
311.09442	2.3
313.10956	2.1
324.10028	1.7
325.10773	4.4
326.07999	3.2
326.11426	1.7
329.10254	0.8
330.11163	0.8
340.13327	1.2
341.10291	23.8
342.10742	2.6
345.13287	3.4
356.12567	8.7
357.13364	2.0
371.15009	30.0
372.15268	5.5
405.12451	0.8
443.12015	14.7
444.12372	2.0
548.16876	1.4
548.24475	1.7
551.17657	5.3
552.18298	1.5
611.23584	2.4
611.36133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
55.09034	0.5
56.64836	0.5
57.03445	2.6
58.00591	1.3
59.01379	35.8
60.01714	0.6
60.99318	1.0
61.98831	100.0
69.38383	3.0
69.38807	3.3
71.01385	29.4
71.05053	0.6
72.99326	2.7
73.02945	5.2
75.00879	1.5
77.47127	0.5
78.95910	4.5
81.03474	1.0
83.01393	4.2
83.05010	0.9
85.02956	8.3
87.00887	4.5
87.04529	0.7
88.98813	8.9
89.02452	27.0
93.03465	0.6
95.01412	1.7
96.96025	0.7
96.96933	0.6
97.02982	1.9
99.00912	3.0
101.02457	15.3
101.03071	1.1
105.33601	0.6
108.02224	1.1
109.02983	1.6
111.00941	1.2
113.02473	8.1
116.92893	0.7
119.03520	3.9
121.03009	1.1
123.04514	1.1
125.02464	12.1
126.02849	0.7
129.01958	1.1
131.03526	8.6
132.95877	0.7
135.04585	1.1
137.02487	1.6
143.03532	1.9
147.04654	1.1
147.96410	0.6
149.02518	1.4
149.04591	9.4
150.04758	0.5
151.00435	1.5
151.04063	0.9
152.01167	0.7
152.99631	2.7
153.02016	1.7
157.12413	0.6
161.02501	0.9
161.04622	4.3
161.05809	0.7
164.04750	0.8
165.02028	0.6
165.05605	0.8
169.01448	1.9
171.10358	0.6
177.01964	8.6
178.02315	0.7
179.03555	0.6
179.05640	1.3
179.07043	1.1
179.14403	3.7
181.08833	0.6
182.05844	0.8
183.13913	0.7
187.13400	1.0
191.05679	3.6
195.06664	0.9
197.04771	0.7
197.15681	0.8
201.11414	1.2
209.11821	3.9
211.13493	2.0
219.17577	1.4
221.15498	10.7
222.15822	0.7
227.12906	1.2
233.06586	0.8
237.18661	1.0
255.02968	1.2
255.06650	0.9
255.19638	64.7
256.19977	6.1
271.02380	1.4
285.04068	0.8
293.08786	24.8
294.09158	1.9
300.02740	3.2
301.03613	2.4
321.38687	0.6
329.23389	1.2
387.27597	11.7
388.27844	1.0
397.13617	1.9
404.00677	0.7
416.24469	0.8
417.24927	20.0
418.25482	1.8
463.09052	1.6
477.30737	1.2
503.25143	0.8
546.26862	0.8
549.29993	27.0
550.30353	4.7
591.25702	0.8
609.12451	1.5
609.26678	5.7
609.35797	1.8
610.26801	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	609.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.5
57.03449	1.7
58.00597	3.4
59.01380	87.6
60.01708	1.8
61.98834	39.6
69.03462	1.2
69.79658	6.6
71.01388	64.8
72.01719	1.5
72.99324	7.2
73.02948	10.0
74.42136	1.1
79.95736	1.6
83.01389	6.2
85.02954	16.5
87.00877	5.7
88.98811	9.8
89.02456	56.6
93.03481	2.5
95.01402	4.5
96.96038	5.5
98.19946	1.5
99.00906	5.3
100.47945	1.1
101.02457	45.7
111.00889	1.6
113.02458	24.5
116.92855	1.5
119.03517	20.5
119.05013	1.1
121.02999	1.4
123.00907	2.2
125.02463	8.4
129.81726	1.1
131.03511	3.1
131.05057	1.1
135.04546	1.6
137.02449	3.8
143.03535	5.4
145.19229	1.0
148.62804	1.1
149.04581	3.2
152.01111	1.5
153.01956	1.4
159.02992	2.7
161.04558	10.5
163.03978	1.5
165.01923	2.5
167.03467	3.0
169.01465	4.2
173.04526	2.7
177.01903	2.0
179.05656	16.2
179.07127	2.4
190.76443	1.1
191.03557	1.5
191.05525	2.7
192.06674	2.3
195.06638	1.7
202.27995	1.3
212.48752	1.3
221.04552	1.4
249.04016	3.9
251.05574	1.9
255.03009	2.9
257.00839	1.5
270.98776	6.2
271.01923	1.7
271.99307	1.7
273.00348	1.4
275.01987	3.2
283.02475	4.8
285.04028	5.5
298.98325	5.6
299.01486	1.3
299.99088	20.8
300.99921	14.4
301.03375	2.6
302.00092	1.5
327.09161	1.3
337.09055	2.1
342.10837	1.6
387.14633	2.4
387.20065	4.5
397.05713	3.2
403.10327	1.8
417.24954	31.8
418.25134	3.9
429.08090	3.7
447.05161	2.0
463.04834	5.8
463.32559	1.3
480.05573	1.6
519.19849	3.8
549.25159	100.0
550.25531	21.1
609.10504	19.0
610.12299	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	609.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24272	0.4
57.03447	1.5
58.00597	0.5
59.01082	0.6
59.01379	10.7
65.39258	0.3
69.63943	2.8
69.64350	0.9
71.01385	14.2
72.99305	1.4
73.02953	0.7
74.99129	0.6
75.00874	6.4
85.02962	13.1
87.00888	7.6
89.02450	4.8
91.04035	0.5
93.86781	0.3
95.01409	2.6
99.00901	3.7
101.02436	1.4
103.00381	1.3
105.01945	1.9
113.02470	20.0
114.02767	0.7
115.00404	0.7
117.01948	1.4
120.12847	0.4
120.99686	3.9
129.01973	0.9
129.52853	0.3
131.03593	0.7
133.01453	0.4
157.01442	0.5
161.02838	0.5
175.02504	0.8
179.03847	1.2
179.05417	0.4
207.05142	0.8
220.08046	0.4
243.20419	0.4
249.06149	2.0
267.07227	100.0
268.07559	6.2
341.11078	0.5
383.37576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1476
Annotation	Cyanin
Peak:m/z	Relative Intensity
52.86004	0.4
59.01385	3.2
61.98831	6.7
65.00338	0.8
69.87895	2.6
71.01373	2.7
83.01369	0.6
85.02959	0.8
87.00872	1.2
89.02440	2.5
93.03463	1.0
101.02444	2.0
107.01383	1.1
109.02950	0.5
113.02442	1.3
117.03448	0.8
117.48437	0.5
119.03481	0.5
121.02943	1.0
123.00967	0.5
125.02460	2.4
134.06071	0.5
135.00917	0.5
137.02490	0.5
143.04988	0.5
146.01558	0.4
151.00403	2.0
154.04202	0.5
155.05067	0.4
159.04494	1.2
161.02498	0.6
161.04475	0.7
169.01419	1.1
169.06561	0.9
173.31264	0.4
173.49699	0.4
177.01939	1.3
179.05565	1.0
183.04575	2.7
185.02428	0.7
185.06071	0.7
187.03981	0.8
191.05585	1.3
192.06647	0.6
199.04068	0.5
201.01965	0.6
203.03462	0.5
204.06540	0.5
211.04031	1.7
213.05583	0.5
227.03516	7.1
229.05046	0.8
239.03429	0.8
241.05011	0.7
243.02907	0.5
249.03957	1.0
255.02977	49.5
256.03430	5.0
269.04572	0.8
270.98810	1.8
275.01926	0.8
283.02478	100.0
283.99780	0.8
284.03094	20.5
285.04034	79.2
286.04419	8.3
297.03876	1.9
298.98367	1.6
299.01810	0.5
299.99158	6.9
300.99908	4.5
326.04202	0.6
327.05093	3.7
417.24915	0.7
446.08536	15.6
447.09351	60.2
448.09692	6.8
489.10245	5.3
513.10565	0.4
519.19910	1.8
549.12073	0.5
549.25153	3.2
565.88318	0.4
609.14844	55.0
610.15155	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	609.1474
Annotation	Germanaism D
Peak:m/z	Relative Intensity
59.01377	4.2
59.42485	0.4
61.98835	4.1
63.02382	0.7
65.00314	0.8
69.53006	2.9
69.95940	0.4
72.99305	0.5
73.02943	1.0
75.00864	0.4
83.01389	1.6
85.02961	1.2
87.00846	0.8
88.98837	0.8
89.02449	2.8
93.03451	0.6
96.96000	0.6
98.19838	0.5
99.00943	0.7
101.02450	2.0
107.01402	2.1
109.02978	0.9
111.00922	0.8
113.02448	2.1
119.04984	0.5
121.02979	0.4
123.00908	0.8
123.05775	0.5
124.01725	0.4
125.02467	2.0
131.03535	1.1
132.02190	0.9
135.00876	0.9
135.04521	0.7
136.99141	0.5
137.02435	1.2
145.02977	0.4
151.00385	4.3
152.01225	0.5
153.15500	0.5
161.02446	0.7
163.00403	1.5
163.04010	0.4
164.01183	0.6
165.01930	2.6
169.01457	2.0
171.04527	0.4
178.99905	1.8
179.03465	0.6
179.07140	0.5
180.04225	1.4
180.65479	0.4
183.04546	1.3
185.06052	0.8
187.04010	1.6
190.02690	0.5
190.99808	0.5
195.04761	0.6
195.06650	1.8
197.86932	0.5
199.03893	0.5
201.05569	0.6
210.05235	0.5
211.04048	1.7
211.13332	0.4
213.05545	0.8
225.07672	1.8
225.11296	0.4
226.02927	0.4
227.03493	42.5
228.03844	4.3
229.05043	3.3
239.03529	1.0
241.04985	0.7
255.02969	79.6
256.03473	9.4
257.04611	3.0
270.98941	0.7
271.02350	0.8
274.01089	0.8
283.02444	2.2
283.05634	0.6
284.03247	100.0
285.03922	35.0
286.04410	2.9
298.98502	0.9
299.99338	0.6
300.02713	2.2
301.00027	1.0
301.03488	3.2
309.04025	1.0
312.10202	0.6
327.05017	0.7
327.12512	1.0
337.09192	1.3
397.05624	1.5
417.24893	1.0
429.08261	3.9
430.08368	0.4
447.08936	0.8
459.17004	0.5
491.15546	0.8
497.17172	0.5
549.27460	1.4
577.11993	1.3
609.14734	93.8
610.15027	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	609.1263
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
57.03448	11.1
59.01384	2.7
61.98829	2.2
63.78902	0.6
65.00372	0.5
68.67687	0.5
68.99819	0.6
69.03484	0.8
71.01391	1.2
71.73759	0.8
72.77489	0.5
78.95889	0.7
81.03470	2.0
83.01386	2.8
85.02970	0.9
85.54005	0.5
89.02448	0.9
93.03462	3.3
95.01393	1.7
95.05032	1.3
96.96036	0.7
96.96970	1.8
97.02956	1.8
101.02483	0.5
105.03485	0.7
107.01420	0.8
107.05010	0.9
108.02198	0.9
109.02969	10.5
109.03666	0.9
110.06878	0.5
111.04549	2.6
111.87189	0.5
113.02475	0.6
113.06046	0.6
116.92887	1.2
119.03506	0.5
119.05038	0.6
121.02989	5.3
123.00876	3.8
123.04543	1.2
124.01687	2.2
125.02466	100.0
126.02821	3.1
131.05055	0.9
133.02971	1.6
135.04549	1.3
137.01407	1.2
137.02470	24.6
138.03177	0.9
139.04027	12.0
145.02954	0.8
147.04482	1.2
149.02470	7.9
149.06133	1.1
151.04025	5.0
153.01921	1.3
155.03651	0.7
158.03796	0.6
159.04539	1.8
161.02470	2.2
163.00388	1.4
163.04077	2.5
164.01143	4.6
165.01952	11.7
166.02682	1.5
167.03519	13.9
169.01433	2.8
173.06125	1.0
175.04005	5.7
176.01167	1.1
176.04672	0.6
177.01949	75.6
177.05571	2.3
178.02332	4.2
179.03503	8.7
187.04042	3.8
189.01999	1.4
189.05641	1.2
190.02696	0.6
191.03497	2.7
191.07146	0.9
193.04980	0.7
199.04015	1.1
201.01996	1.2
201.05574	1.6
203.03487	3.0
204.04263	1.5
205.01447	2.1
205.05077	1.7
211.04048	1.8
215.03502	1.9
217.01471	0.8
217.05037	2.6
219.03149	1.1
219.06648	7.8
220.06998	1.0
221.04575	4.4
225.05551	0.6
227.03564	1.9
228.04240	0.9
229.01445	0.8
229.05048	2.5
231.02979	1.5
231.06575	0.8
239.03517	0.7
241.04988	0.8
241.07253	0.6
243.03015	4.6
243.06592	1.1
245.00870	0.8
247.02527	1.0
249.04016	1.8
253.05000	1.5
255.02965	13.7
256.03778	4.2
257.00803	0.5
257.04507	2.3
259.06088	0.7
261.04126	2.4
261.07645	2.2
263.05521	1.0
267.06393	0.6
269.04553	1.7
270.98917	1.2
273.04019	7.7
274.01151	0.7
275.01962	1.9
275.55188	0.6
282.01749	1.1
283.02484	13.0
284.02942	1.8
285.04013	7.2
286.04361	0.8
287.05585	0.7
293.12390	0.5
297.04044	4.0
298.04584	0.8
299.99194	2.5
300.99951	5.0
302.00146	0.7
303.05130	8.3
305.06671	63.1
306.07050	5.9
315.05002	2.7
327.05273	0.7
345.06006	0.9
347.07449	0.7
355.08182	2.0
397.09204	1.1
423.07217	63.3
424.07538	7.8
441.02301	1.2
441.08273	19.0
442.08710	3.0
446.08679	1.0
447.09625	3.2
457.02298	1.7
465.08234	1.0
483.09372	7.3
484.09732	0.6
547.16534	1.9
591.11401	0.9
609.12805	12.5
610.13611	2.1
637.85919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01379	9.2
60.01720	0.2
60.56594	0.2
60.99301	0.4
61.01808	0.2
61.98832	10.6
63.02402	2.3
65.00326	4.4
65.88036	0.2
70.38540	0.4
70.38906	0.9
71.01385	4.9
71.05050	0.2
71.55190	0.2
72.99325	0.4
73.02946	1.0
81.03493	0.3
83.01394	3.5
83.05014	0.2
85.02965	1.6
87.00887	1.6
87.04528	0.3
88.98816	1.7
89.02449	3.3
89.03990	0.4
91.01894	0.5
93.03472	1.3
95.01374	0.5
95.05061	0.3
96.96046	0.2
97.02995	0.2
99.00912	0.3
101.02448	3.4
105.03480	0.7
107.01406	8.5
108.02203	0.9
109.02969	2.9
111.00916	0.3
113.02467	1.9
114.29204	0.2
116.92886	0.3
117.03452	1.0
119.01402	0.4
119.03519	1.1
119.05029	2.3
121.02967	7.6
122.03255	0.2
123.00896	0.4
123.04539	0.3
124.01701	0.3
125.02425	1.3
131.03473	0.3
133.02988	2.0
135.00922	1.2
135.04539	0.9
137.02406	0.3
137.09743	0.4
139.04004	0.6
143.03520	0.3
143.05060	0.3
145.02986	1.9
147.00952	0.3
147.04536	0.3
148.01755	1.2
149.02469	1.6
149.04655	0.3
151.00389	36.0
152.00716	1.5
153.01927	0.6
155.05078	0.5
157.06599	0.3
159.04552	0.7
159.55737	0.2
161.02484	1.7
161.04584	0.6
161.06020	0.3
161.09703	0.4
163.00397	4.0
163.04018	2.7
163.07642	0.4
164.01132	0.8
164.04686	0.2
165.01944	0.3
167.05029	0.5
167.07259	0.3
169.01421	3.0
171.04529	0.5
173.02324	0.2
173.06096	0.3
175.03986	0.6
177.01944	20.9
178.02263	1.0
178.99876	16.1
179.03415	0.6
179.05675	1.1
179.07048	0.3
179.10822	0.3
180.00224	0.9
181.08760	0.4
182.03612	0.2
183.04561	1.1
183.13922	0.2
185.06093	0.3
187.04059	1.5
188.04460	0.2
190.99918	0.7
192.00677	0.6
193.01425	0.6
195.04567	0.3
197.04443	0.2
197.11844	1.2
198.03186	0.2
199.03993	1.4
201.02014	0.5
201.05620	0.8
203.03529	0.6
205.05112	0.3
207.10196	0.3
211.03996	2.0
211.13391	2.8
212.04642	0.4
213.01984	0.4
213.05438	0.3
214.02736	0.5
215.03583	1.0
223.09753	0.3
226.02727	0.9
227.03516	4.0
227.12849	0.4
228.03969	0.5
229.05011	2.5
231.02956	0.3
239.03368	0.6
240.04286	0.3
241.10814	0.9
243.02953	7.4
244.03383	0.6
245.04465	2.1
254.02299	1.0
255.02979	17.9
256.03445	2.3
257.04498	0.9
271.02460	33.9
272.02875	3.9
273.03995	2.4
274.04501	0.3
283.02472	1.7
283.11923	0.4
284.03241	2.3
285.04031	6.1
286.04391	0.7
287.15057	0.5
299.01996	6.7
300.02750	48.4
301.03513	100.0
302.03879	8.0
323.07797	0.7
341.03030	0.5
341.12415	0.7
343.04605	0.3
343.13953	1.1
347.09836	0.2
387.27560	3.4
388.28003	0.3
397.13525	1.3
403.16162	1.0
415.14722	0.8
417.24930	0.9
431.19290	0.7
445.02042	0.3
445.07837	4.3
446.07974	0.4
447.09360	2.3
448.09619	0.3
463.08771	14.6
464.08997	2.2
549.32947	7.6
550.33429	1.1
609.12732	27.9
609.22028	2.1
609.29755	2.1
610.13104	5.9
610.22858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1264
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
57.03448	10.8
61.98833	2.1
70.59380	1.6
70.59747	1.0
71.01366	0.6
81.03462	1.9
83.01398	2.9
91.01936	0.7
93.03460	3.2
95.01405	1.4
95.05022	1.3
97.02978	1.7
98.19997	0.7
105.03477	1.1
107.05035	1.4
109.02958	10.8
111.04538	2.7
121.02964	6.0
123.00908	3.0
123.04530	1.5
124.01669	1.9
125.02464	100.0
126.02839	3.2
130.04352	0.7
133.03017	1.7
135.04538	2.3
137.02469	24.2
138.03189	1.2
139.04037	12.4
147.04506	1.3
149.02458	8.8
149.06059	0.7
151.04025	5.5
159.04529	1.6
161.02463	2.1
163.00388	0.8
163.04016	2.4
164.01212	3.0
165.01947	14.4
166.02654	1.3
167.03526	13.4
168.03908	0.8
173.06001	1.2
175.04010	8.3
176.01273	1.0
176.04608	0.7
177.01945	73.4
177.05490	2.4
178.02257	4.2
179.03517	10.1
180.03763	0.7
185.05942	0.8
187.03996	4.4
191.03503	2.6
191.07213	0.9
193.04942	0.7
199.03992	1.9
201.05608	2.5
203.03564	2.6
204.04364	1.2
205.01396	1.1
205.05040	1.0
211.03981	2.3
213.05487	1.7
215.03569	2.3
217.05064	2.6
219.03091	0.7
219.06610	7.1
221.04587	5.5
225.05482	0.9
227.03415	1.7
228.04280	1.4
229.05080	5.0
231.02896	1.4
241.05038	0.9
243.02982	8.1
243.06577	1.1
253.05193	1.3
255.02960	20.2
256.03693	5.8
257.04538	3.7
261.03937	3.4
261.07700	1.8
269.04529	2.5
273.04037	7.2
274.04407	0.7
282.01724	1.1
283.02472	12.1
284.02936	1.5
285.04059	3.3
288.02930	0.8
297.04047	8.2
298.04651	1.9
299.05487	1.0
303.05084	7.9
305.06668	63.8
306.06998	5.5
315.05209	2.4
345.06366	0.9
355.08267	3.0
397.09189	2.3
423.07205	93.2
424.07614	13.4
441.08267	23.2
442.02774	0.8
442.08493	5.2
465.08072	0.8
480.04977	0.7
483.09311	7.0
484.09650	1.7
541.65619	0.7
609.12793	9.4
610.13000	1.9
611.19952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03442	0.7
58.00587	0.5
59.01379	15.4
61.98830	6.8
63.02385	0.6
65.00323	1.4
69.03454	0.8
69.44269	2.5
69.44693	1.2
71.01385	11.1
72.99320	1.2
73.02947	1.9
73.31544	0.3
81.03469	0.7
83.01388	3.4
83.05015	0.4
85.02956	2.6
87.00875	2.2
88.98797	2.0
89.01896	0.5
89.02454	9.1
89.03976	1.0
93.03468	0.8
95.01389	1.1
97.02956	1.3
98.20646	0.8
99.00889	1.1
101.02454	9.1
105.03490	2.0
107.01415	3.5
108.02205	1.7
109.02956	2.3
113.02468	3.9
117.03467	0.9
119.03525	2.6
119.05042	1.1
121.02979	2.3
123.00858	0.4
125.02460	4.5
131.03503	1.2
133.02969	5.5
135.00902	0.8
135.04543	0.7
136.01648	0.4
137.02419	0.4
139.03998	0.8
143.03528	1.6
145.02992	2.3
148.01662	1.9
149.02472	1.2
149.04591	0.7
151.00385	14.0
151.03972	0.6
152.00700	0.6
153.01967	1.7
159.04536	0.6
161.02518	0.4
161.04567	2.0
161.09697	0.3
163.00407	2.9
163.03957	0.5
164.01131	1.2
167.03487	0.4
167.14571	0.4
169.01407	1.0
173.06087	0.4
177.01942	57.7
178.02267	1.9
178.99872	7.3
179.05609	1.4
181.05121	0.5
183.04546	0.6
183.13902	4.3
187.03976	0.6
190.99896	0.8
192.00566	0.6
193.12317	0.7
197.04544	0.8
199.03998	1.2
199.05730	0.3
201.05537	0.5
203.03532	0.8
204.18806	0.3
211.03976	1.3
211.13399	48.3
212.04681	0.4
212.13696	1.8
213.01875	0.5
215.03468	0.9
216.04227	0.9
221.06633	0.5
226.02773	1.7
227.03522	3.7
227.12903	0.4
228.04036	0.6
229.05083	0.9
235.08168	2.8
237.36302	0.4
239.03540	0.6
243.02968	11.9
244.03400	1.2
245.04512	1.2
253.09302	0.8
254.02200	3.0
255.02963	31.8
256.03281	2.2
271.02454	59.3
272.02914	7.2
273.04028	1.4
282.54535	0.3
283.02521	1.4
285.23474	0.4
287.07724	0.9
287.14954	1.0
299.01999	1.4
300.02744	100.0
301.03470	50.0
301.07141	0.6
302.03864	3.1
305.08768	0.5
323.09677	0.6
387.14456	1.0
387.27509	0.9
397.13498	26.4
398.13928	1.4
415.14560	11.6
416.14865	0.7
417.25000	3.0
431.19296	2.0
445.07422	0.5
463.08786	56.5
464.09064	6.1
505.78494	0.4
549.32239	2.2
609.12653	59.3
610.13049	9.8
610.21582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03175	0.8
57.03446	11.5
59.01379	1.3
61.98831	0.9
66.74399	0.5
68.99846	0.6
69.03457	1.1
70.71266	2.0
71.01385	1.0
75.99531	0.5
81.03461	1.9
83.01421	2.8
85.02959	0.8
87.00875	0.9
89.02428	0.8
91.39275	0.6
93.03455	3.7
95.01395	1.5
95.05035	0.9
96.96056	0.7
97.02965	2.4
105.03483	0.7
107.05064	1.3
109.02965	12.7
110.03305	0.6
111.00857	0.6
111.04552	2.7
113.02373	0.6
119.05043	0.6
121.02972	6.3
123.00915	3.7
123.04543	1.0
124.01670	2.0
125.02460	100.0
126.02757	3.7
128.51604	0.6
131.05067	0.8
133.02979	2.1
133.06609	0.7
135.04526	1.6
137.02463	21.7
138.03041	1.0
139.04028	12.9
149.02466	7.9
149.06136	1.0
151.04013	4.3
159.04510	1.1
161.02446	2.7
163.00401	1.2
163.04022	2.0
164.01195	4.5
165.01944	11.7
166.02609	0.8
167.03500	12.3
168.03851	0.9
173.06114	0.7
175.04024	7.1
176.01175	0.6
177.01942	71.0
177.05374	3.4
178.02388	5.2
179.03513	10.4
187.04012	3.8
189.05554	1.1
191.03502	1.6
191.07182	1.0
193.05054	0.8
199.04054	1.5
201.01912	0.5
201.05531	1.3
203.03519	3.4
204.04211	2.1
205.01480	1.5
205.05214	0.7
211.04019	2.1
213.05511	1.2
215.03514	2.2
217.05040	2.4
219.03093	1.3
219.06628	8.2
220.06964	1.0
221.04532	5.5
227.03464	1.5
228.04251	1.1
229.05110	2.9
231.03055	0.6
233.08252	0.7
234.57779	0.6
241.05029	0.7
243.03023	5.2
243.06534	1.0
244.03380	0.8
245.04562	1.3
253.04962	0.7
255.03001	15.8
255.05809	0.9
256.03677	5.1
257.04422	3.0
259.05930	0.9
261.04095	3.7
261.07590	2.2
267.07178	2.0
269.04538	2.2
273.03931	4.2
274.04166	0.6
280.03705	0.8
282.01682	1.3
283.02502	11.5
284.02805	1.3
285.04013	4.1
287.05630	1.0
288.02823	1.1
297.04025	6.3
298.04733	1.3
300.99896	1.9
303.05127	9.3
305.06674	65.5
306.06982	5.2
315.05084	2.0
337.59155	0.7
345.06323	1.0
355.08261	1.6
397.09106	1.3
423.07211	73.9
424.07510	9.8
441.08279	20.9
442.08435	3.8
452.30371	0.6
465.08157	0.9
483.09332	6.0
484.09735	1.3
549.10620	1.7
591.11267	1.6
609.12628	11.4
610.13123	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	609.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.4
61.98830	6.6
63.02402	1.0
65.00015	0.3
65.00324	2.1
71.01383	2.1
71.25072	0.4
72.99338	0.3
73.02946	0.7
83.01401	1.5
85.02965	0.7
87.00883	0.5
88.98814	1.2
89.02455	1.6
93.03469	0.7
95.01407	0.4
101.02457	1.6
107.01412	3.8
108.02186	1.8
109.02977	1.8
113.02445	0.7
117.03473	0.5
119.01366	0.2
119.03513	0.6
119.05040	0.6
120.02160	0.3
121.02946	2.6
124.01653	0.4
125.02454	0.9
127.58004	0.2
131.03458	0.2
133.02971	0.9
135.00922	1.1
135.04530	1.5
137.02434	0.2
145.02979	2.9
148.01688	1.6
149.02385	0.4
149.04666	0.3
151.00389	14.3
152.00969	0.4
153.01938	2.3
159.04509	0.5
161.02470	3.0
161.04573	0.5
161.06067	0.3
163.00392	3.7
163.04037	0.7
164.01157	1.1
169.01477	1.1
169.53185	0.2
171.04431	0.5
173.02354	0.3
175.04071	0.4
177.01912	0.3
177.05530	0.3
178.99884	6.5
179.01494	0.4
179.03453	1.5
179.05650	0.4
180.00192	0.4
181.05138	0.3
183.04520	0.6
187.04010	0.8
190.99913	0.6
192.00676	0.9
198.03172	0.3
199.04007	1.0
200.04869	0.3
201.05611	0.7
203.03564	0.5
211.03964	1.0
211.13377	3.1
213.01898	0.3
213.05202	0.3
214.02666	0.2
215.03545	0.5
216.04213	0.4
221.04451	0.3
226.02705	1.4
227.03473	4.0
228.03993	0.5
229.04973	1.2
239.03615	0.5
243.02969	11.7
244.03542	1.1
245.04550	1.1
248.87120	0.3
254.02226	2.5
255.02965	28.6
256.03366	2.3
257.04529	0.5
271.02460	58.5
272.02945	5.9
273.03955	1.5
283.02396	1.4
284.03220	2.3
285.04007	5.2
299.01996	1.3
300.02744	100.0
301.03455	50.0
301.07184	0.5
302.03900	3.5
309.57700	0.2
323.07639	1.0
343.04407	0.5
387.27579	1.0
397.13626	1.3
415.14545	0.6
417.24930	0.5
447.09128	0.3
463.08789	50.6
464.09164	5.6
549.33173	3.7
550.32935	0.3
609.12604	71.9
610.12927	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	609.1267
Annotation	quercetin 3-O-(4"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
57.03438	0.6
57.89533	0.3
58.00574	0.3
59.01080	0.4
59.01381	9.7
61.98833	23.6
63.02399	2.3
65.00021	0.4
65.00330	4.8
66.54817	0.3
69.75226	2.0
71.01383	4.5
72.99314	0.4
73.02940	0.9
78.95911	4.1
83.01398	3.5
83.05040	0.4
85.02959	1.8
87.00891	2.1
87.04568	0.3
88.00407	0.2
88.98813	2.6
89.02460	4.6
91.01929	0.5
93.03468	1.1
95.01397	0.5
96.96939	0.3
99.00886	0.6
101.02460	3.5
107.00681	0.5
107.01405	9.0
108.02177	0.9
109.02981	3.1
113.02463	1.7
117.03489	0.6
119.01378	0.5
119.03510	0.6
119.05052	2.1
121.02130	0.3
121.02959	8.0
125.02477	1.4
131.03519	2.2
133.02969	0.5
135.00862	0.6
137.02466	0.6
137.09761	0.4
139.04028	0.4
139.11311	0.7
145.02994	1.5
147.00887	0.3
147.04483	0.3
148.01669	1.0
149.02460	0.9
149.04572	2.4
150.03209	0.3
151.00389	33.2
152.00763	1.1
152.99605	2.0
155.04906	0.3
157.06587	0.3
159.04466	0.6
161.02472	0.6
161.04573	0.6
161.06012	0.3
161.09720	0.9
163.00395	3.4
163.04025	2.8
163.07617	0.4
163.11238	0.3
164.01134	0.6
164.04713	0.7
165.01938	1.0
165.05418	0.3
167.03574	0.4
167.05032	0.4
169.01465	3.0
171.04529	0.5
173.06105	0.4
175.04071	0.4
177.01932	0.7
177.05496	0.3
178.99876	17.1
179.05620	0.5
179.07140	0.7
179.10724	0.4
180.00180	0.6
180.04288	0.3
181.08740	0.7
183.04526	0.7
183.10275	0.8
187.04034	0.8
189.01854	0.3
190.99884	0.4
191.05666	1.7
192.00552	0.3
193.01405	0.8
195.06580	0.8
197.08098	0.4
197.11864	2.1
198.03282	0.3
199.04019	1.6
201.01927	0.3
201.05588	1.0
201.11292	1.0
203.03508	0.5
209.11826	3.5
211.03976	1.7
214.02603	0.4
215.03493	0.7
223.09729	0.4
225.11366	0.4
226.02731	0.9
227.03528	3.4
227.12833	0.7
228.04048	0.5
229.04990	1.6
239.03499	0.5
241.10858	1.7
243.02979	5.2
243.05215	0.5
243.12328	1.8
244.03339	0.6
245.04509	2.8
254.02214	0.9
255.02972	15.3
255.19598	0.4
256.03424	1.5
257.04572	0.8
266.02213	0.4
271.02460	33.7
272.02927	2.9
273.04013	2.7
274.04291	0.4
283.02444	1.8
283.11887	0.7
284.03220	0.3
285.04022	0.6
285.13495	0.4
287.15002	0.3
293.08835	0.5
297.12079	0.3
299.01990	6.1
300.02756	46.5
301.03522	100.0
302.03906	7.3
307.08310	0.3
325.11224	0.3
329.23288	1.3
343.14081	1.6
345.15710	0.5
363.12219	0.9
387.27539	0.5
403.16144	3.6
405.17685	0.3
416.23770	0.5
417.24579	0.9
445.07794	4.7
446.08020	0.8
463.08762	14.1
464.08801	1.7
477.30499	0.5
549.33411	1.7
591.25958	1.4
609.12695	27.4
609.27924	6.8
610.12927	4.7
610.28595	0.9
614.68146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
61.98832	100.0
62.98535	0.2
70.91003	0.4
71.01388	1.0
73.02959	0.3
75.00877	0.1
78.95921	1.1
79.95738	0.2
80.96544	0.5
85.02968	0.4
87.00895	0.1
88.45015	0.1
88.98828	0.2
89.02471	0.5
94.98100	0.2
96.95990	0.2
99.00912	0.1
101.02444	0.6
102.92146	0.1
113.02491	0.4
114.61731	0.1
119.03548	0.1
125.02461	0.3
131.03549	0.2
152.99664	0.4
164.98727	0.1
208.18768	0.1
209.11908	0.3
211.13403	0.2
245.70055	0.1
313.70761	0.1
349.52792	0.1
378.58231	0.1
387.25400	0.2
410.48865	0.1
410.54340	0.1
417.24200	0.2
417.28796	0.4
436.85211	0.1
477.34280	0.2
549.30774	0.2
608.37915	0.1
609.25800	1.1
609.37616	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	608.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
60.01736	0.1
61.98832	100.0
62.98518	0.2
68.13628	0.1
69.38686	0.2
69.39050	1.7
69.57241	0.1
71.01400	1.3
72.01731	0.1
72.99311	0.2
73.02955	0.3
78.95921	0.5
85.02968	0.5
87.00903	0.3
88.98816	1.3
89.02441	0.7
91.19808	0.2
95.01406	0.2
96.96017	0.2
96.96967	0.2
99.00889	0.3
101.02448	0.8
102.98595	0.3
113.02479	0.4
116.92862	0.2
125.02499	0.3
131.03482	0.2
143.03456	0.1
152.99568	0.3
161.04640	0.2
183.13887	0.2
209.11949	0.7
210.12241	0.3
211.13432	1.1
227.12967	0.2
255.19559	0.2
283.04886	0.3
300.02939	0.2
342.27283	0.2
342.98499	0.2
397.13364	0.5
415.14725	0.2
417.28674	0.9
477.34464	0.3
549.32813	0.2
608.26605	0.3
609.28619	0.5
609.38647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.5
59.01384	5.2
61.98839	4.9
64.41602	0.7
67.55717	0.6
68.99809	1.3
69.03452	7.4
71.01383	2.6
71.05029	3.1
71.20489	1.2
78.95911	1.9
83.05026	0.8
96.96049	0.7
97.02948	0.7
97.06613	1.5
101.33389	0.6
109.06612	0.9
111.08171	6.2
123.08195	1.9
125.09743	3.8
126.78161	0.6
127.07590	0.7
130.79869	0.6
137.09711	0.7
151.11305	5.1
153.12878	2.1
161.09731	6.7
162.10045	0.6
163.11281	0.7
169.12343	3.5
171.10321	1.0
179.10793	20.4
180.11189	1.4
181.12364	1.1
183.13857	0.8
197.11839	100.0
198.12219	5.7
199.13397	1.4
209.11775	1.3
211.13426	3.4
223.09824	3.8
225.11296	0.8
227.12891	0.8
241.10773	8.4
242.11127	1.0
263.20242	1.3
291.19666	2.6
297.13525	3.5
301.32730	0.6
309.20734	6.8
310.21109	0.7
315.14471	10.6
332.54541	0.7
578.40442	0.7
607.34882	99.3
608.35199	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	607.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43269	0.7
59.01388	1.1
60.99311	13.5
61.98835	18.5
64.97034	0.8
70.61766	2.7
71.01380	0.9
72.91267	0.8
78.95914	22.1
80.96505	0.8
84.19534	0.7
88.98818	100.0
96.96979	2.3
115.97533	0.7
136.25194	0.8
151.01045	0.8
152.98485	1.4
152.99608	15.5
162.94359	0.7
172.20424	0.8
183.13904	1.9
209.11868	8.8
210.12202	0.8
211.13402	21.3
212.13802	1.8
227.12900	2.1
293.24475	0.8
347.12656	5.3
363.12122	2.3
364.96844	0.7
365.13748	1.6
395.14758	2.0
430.92130	0.8
542.51971	0.8
575.26404	12.1
576.26666	1.7
607.29437	4.9
608.29755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01373	2.7
61.98830	9.4
62.03008	0.8
62.23423	0.7
67.01915	0.9
68.99845	1.0
69.03459	7.5
70.85134	2.4
71.01382	2.1
71.05025	2.9
81.03413	1.0
83.05025	1.2
90.60188	0.8
96.95975	0.9
97.02946	0.9
97.06619	1.9
111.08188	6.0
116.92868	0.9
123.08142	2.0
125.09688	3.7
140.81902	0.7
149.09784	1.2
151.11295	6.6
153.12891	2.4
161.09749	6.3
169.12323	3.4
179.10789	22.2
179.12383	1.1
180.11082	1.0
183.13901	1.6
185.11913	0.8
187.81001	0.7
197.11836	100.0
198.12212	7.3
199.13327	1.1
199.49496	0.7
209.11850	2.9
211.13393	1.9
223.09714	5.5
225.11278	1.3
225.56248	0.7
227.12837	1.4
241.10806	10.9
263.19803	0.9
291.19693	4.5
292.19901	0.9
297.13495	4.6
309.20752	8.7
312.40518	0.8
315.14545	11.1
327.21869	1.2
415.55600	1.0
607.34900	98.6
608.35205	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	607.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02966	0.5
51.90324	0.4
55.01886	3.0
55.80283	0.5
57.01624	0.5
57.03446	2.6
57.98144	0.4
58.00576	2.0
59.01381	45.3
61.98833	8.6
62.34535	0.5
66.39366	0.5
68.99821	0.5
69.03443	1.6
71.01387	65.6
71.20227	1.1
72.01713	0.9
72.99323	3.1
73.02952	19.4
75.00891	1.0
76.20554	0.5
80.02647	1.1
81.03449	1.9
83.01395	10.6
83.05042	2.5
85.02960	29.2
85.06590	0.7
86.00063	0.5
86.03278	1.1
87.00882	5.8
87.04484	0.6
88.98794	1.7
89.02455	15.9
93.03462	1.0
95.01405	5.8
95.05053	0.8
96.96026	1.2
97.02952	4.0
99.00890	10.0
99.04545	0.6
101.02456	49.7
102.02791	1.5
107.01396	1.1
107.05088	0.5
109.02964	0.9
111.00870	1.8
113.02464	31.9
113.50937	0.5
114.02824	0.8
115.03985	1.3
116.92841	1.3
119.03523	3.8
123.00891	1.4
123.04513	0.8
125.02466	12.4
126.02761	1.4
129.01921	1.0
131.03525	7.8
135.08069	0.6
137.02423	1.8
139.00385	0.7
140.01196	0.7
143.03523	5.2
149.02489	0.8
149.04558	3.2
151.00375	2.0
151.04063	0.5
155.03442	0.6
159.03006	6.8
161.04576	42.9
162.04865	1.5
163.03954	0.6
163.11320	2.5
165.05594	0.8
165.12915	1.3
167.03479	1.2
168.00688	1.2
169.01457	5.3
170.01790	0.6
171.01898	0.7
174.01598	0.6
177.01913	1.1
177.05202	0.6
178.72762	0.5
178.99820	0.7
179.05630	2.2
191.03426	0.8
191.05565	1.6
193.01482	1.2
193.03558	0.6
195.06808	0.6
205.01556	0.6
205.03488	1.1
209.11839	58.6
210.12199	4.6
235.08224	5.4
253.09294	1.5
253.18076	6.7
254.18484	1.1
263.07736	0.7
287.07742	0.9
293.08655	4.6
300.99969	0.7
305.08847	1.6
313.05566	0.7
323.09796	1.0
397.13516	29.7
398.14084	3.2
415.15131	13.7
415.23361	100.0
416.14798	2.1
416.23694	16.3
459.22168	0.9
517.19720	0.7
544.24182	0.9
547.27551	85.4
548.27905	18.9
607.11707	5.6
607.20508	1.1
607.28387	1.1
608.23413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.9
58.00587	1.5
59.01082	1.5
59.01381	30.1
61.98832	10.1
62.05954	0.7
69.57685	4.2
69.58112	2.2
71.01385	13.9
72.99307	5.0
73.02962	3.6
83.01395	3.0
85.02958	6.0
85.06588	0.9
87.00895	6.6
88.98799	1.6
89.02445	6.2
95.01369	1.0
99.00874	1.8
101.02448	6.9
111.00893	2.1
113.02459	3.6
115.04037	1.8
116.92879	1.1
121.02946	2.1
122.03759	1.6
123.04510	1.1
125.02467	2.8
129.01949	2.0
131.03517	1.8
135.04515	1.0
135.06700	0.8
137.02452	0.8
139.04030	7.0
141.01953	1.0
145.02959	2.1
146.03709	1.7
149.01253	1.2
149.02461	33.2
149.04517	2.4
150.03250	46.5
151.00391	3.0
151.03616	1.7
161.02400	2.0
161.04558	4.4
162.03271	3.8
163.00430	1.2
163.04004	3.2
164.04802	22.3
165.05588	100.0
166.05933	5.5
169.01398	1.5
177.05606	3.7
178.99855	1.7
179.07133	2.5
180.04292	2.5
190.99915	2.1
191.05573	1.1
193.01408	2.8
195.06636	24.7
196.07031	2.0
203.05498	1.1
206.02231	5.0
207.03008	1.1
207.06552	1.1
209.11880	1.2
219.06783	1.3
227.12846	2.2
253.18050	0.9
267.16010	2.6
297.11777	2.2
309.09824	27.2
310.10226	2.0
327.10654	5.4
339.10776	5.8
357.11896	5.0
369.11942	35.9
370.12256	4.9
385.09149	1.2
413.08688	3.1
415.23404	7.5
431.09598	2.9
547.27734	6.1
548.27960	1.5
567.32867	0.9
607.26300	10.2
608.27295	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	607.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36346	0.4
55.01880	0.9
57.03441	1.2
59.01381	25.1
60.99309	0.4
61.36167	0.4
61.98833	7.5
68.99821	2.6
69.03459	1.9
71.01390	10.6
71.69640	0.6
72.01755	0.6
72.99302	1.6
73.02953	2.5
74.99113	0.9
75.00860	1.6
81.03468	0.8
83.01405	3.5
83.05022	1.5
85.02963	7.8
87.00885	5.5
88.98821	2.0
89.02457	5.7
93.03433	0.6
94.87895	0.4
95.01394	2.0
95.05000	0.4
96.96024	4.2
96.96986	0.6
97.02959	1.5
99.00899	5.7
99.04539	1.5
101.02464	7.6
102.98589	0.5
107.01387	0.5
108.02170	0.6
109.02953	1.2
111.00907	2.8
111.04523	0.6
112.98847	0.9
113.02467	7.5
113.99603	8.0
114.99653	0.5
115.00397	7.0
116.92854	0.7
119.03497	1.0
120.99673	0.4
123.00890	0.7
125.02455	3.8
127.00383	4.4
129.01930	1.7
131.03499	1.3
136.99063	0.8
137.02454	0.9
139.00377	1.2
141.01944	0.5
142.99893	0.6
143.03505	1.2
149.04581	0.8
151.00369	2.3
152.01199	0.4
153.01956	0.9
156.00645	1.0
157.01440	3.9
161.04568	2.3
163.11284	0.6
165.12885	0.8
169.01439	3.7
174.01711	7.6
175.02507	3.3
176.01184	1.1
178.99994	0.7
179.05618	0.8
191.03513	1.1
191.05580	0.8
193.01434	0.7
207.13928	1.1
209.09828	1.0
209.11832	20.2
210.12161	1.3
225.14999	2.3
227.12888	10.9
228.13199	0.5
235.08231	0.8
251.13002	0.5
259.04449	0.7
269.13995	2.4
277.05624	7.0
283.15341	0.7
287.15005	4.1
288.15353	0.4
316.01996	0.4
319.06619	1.1
337.07648	3.1
356.07971	0.4
395.02301	0.4
395.07632	0.4
397.13565	8.1
398.13635	0.8
410.35629	0.4
413.08572	1.0
415.14658	4.1
415.23303	2.1
416.15085	0.5
431.09714	0.8
449.20624	0.8
487.17935	0.5
544.24890	0.8
545.23352	0.6
546.15210	0.5
547.20569	3.0
547.28638	4.5
548.27924	0.9
589.21442	0.8
607.22485	100.0
608.22839	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	606.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72259	0.3
59.01372	1.2
61.98833	100.0
67.20462	0.2
69.66710	2.1
71.01371	0.2
72.62856	0.2
78.95899	0.6
99.92618	0.3
116.92918	0.5
140.21901	0.3
168.47705	0.2
174.94562	0.2
183.13972	1.0
185.11771	0.2
193.78508	0.3
209.11847	1.8
210.12285	0.4
227.12862	0.4
282.13760	0.3
314.71814	0.2
511.29120	1.6
581.13135	0.3
591.66107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01381	53.7
60.01713	0.8
61.98834	16.8
69.15131	0.3
71.01388	5.3
72.99308	0.6
73.02957	1.7
75.00889	0.5
79.63216	0.3
82.95444	0.4
83.01405	0.9
85.02956	2.5
87.00890	0.8
88.98820	1.8
89.02457	3.4
95.01407	0.6
96.96033	0.5
99.00863	0.8
101.02460	3.6
108.02238	0.5
109.02935	0.5
113.02484	1.8
115.18677	0.3
116.92888	0.9
119.03558	1.1
121.03002	1.3
123.00913	0.9
123.04556	0.9
125.02502	1.0
131.03560	1.0
132.05855	0.7
133.02847	0.3
135.06665	0.7
136.01675	0.8
145.03003	1.4
147.04576	0.8
149.04619	0.6
150.03244	0.4
151.00410	0.7
151.04099	1.0
158.03783	0.8
159.04539	2.9
160.05327	8.4
161.04565	1.1
161.05826	0.9
162.03229	0.5
169.01457	1.0
171.10284	0.6
175.04054	0.7
177.01968	0.6
178.99919	0.4
179.03616	0.3
179.05603	0.3
180.04362	0.4
193.01532	0.5
195.06673	0.8
209.11897	1.5
211.13428	1.5
221.11900	0.3
225.15030	0.9
227.12906	3.1
229.14468	0.7
230.24120	0.4
238.06453	0.3
243.02966	0.4
248.81813	0.3
253.08948	0.5
266.05710	1.5
271.02490	0.3
281.08194	5.3
282.08588	0.7
291.19904	0.4
296.10663	1.3
297.11893	4.7
298.12262	0.3
299.02017	2.5
311.13058	0.5
319.17670	0.3
325.10999	0.5
326.11588	19.5
327.12140	1.8
327.21768	9.1
328.22192	0.8
337.19101	0.7
341.14081	1.2
368.97473	0.4
370.10593	22.4
371.10931	2.5
385.12936	100.0
386.13278	13.1
415.23300	1.6
544.25299	0.7
545.26355	1.0
547.30945	1.3
589.32208	0.5
607.10913	0.6
607.33789	11.5
608.25311	0.4
608.34845	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78601	0.1
54.94048	0.1
59.01378	0.3
61.85143	0.1
61.98830	100.0
62.05685	0.1
62.98540	0.2
67.18147	0.1
69.27013	0.1
71.01395	0.2
71.41888	0.1
71.42210	0.2
78.95903	0.6
80.96545	0.2
102.36375	0.1
102.99447	0.1
114.74847	0.1
152.99629	0.4
190.59901	0.1
209.11812	0.5
211.13365	0.5
214.06410	0.1
310.14697	0.1
363.12296	0.2
500.28989	0.1
575.26776	0.3
607.28571	0.2
614.97504	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	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
58.00592	2.1
59.01377	36.9
60.99303	1.9
61.98831	63.1
62.39960	1.0
69.03461	1.2
69.50634	10.8
70.43320	1.0
71.01387	19.7
72.99302	8.7
73.02945	3.8
75.00874	1.1
78.95905	8.1
83.01387	2.5
83.05054	1.2
85.02942	6.2
87.00877	3.2
88.98815	9.1
89.02454	16.0
90.99227	1.3
95.01415	1.2
95.48893	0.9
97.02969	1.6
99.00924	1.8
101.02458	15.8
109.06574	2.4
111.08184	15.2
113.02478	9.4
116.92873	1.0
119.03477	4.1
125.02476	2.7
131.03542	2.6
143.03630	1.2
152.99591	3.4
153.00813	1.1
153.12862	1.4
161.04590	8.1
163.11383	1.1
169.12364	5.8
171.10263	1.6
179.05580	3.3
179.10811	1.5
181.12332	2.3
183.13844	2.1
197.11839	69.9
198.12173	5.3
199.13403	4.4
207.10243	2.2
209.11790	4.3
210.31625	1.0
211.13393	13.1
212.13680	1.4
225.11224	1.9
227.12881	2.5
253.09291	47.3
254.09668	2.6
263.20062	3.6
265.18179	1.5
266.15115	1.8
274.60587	1.1
283.10376	5.4
291.19684	26.0
292.20047	2.0
309.20712	100.0
310.21045	9.5
339.25330	5.0
413.25375	1.3
426.32376	2.9
433.20535	1.3
444.32620	1.0
471.31012	2.1
515.30066	3.3
516.30591	1.1
520.75287	1.2
533.31427	5.7
534.31396	2.4
545.29742	9.4
546.29663	1.4
605.25250	2.0
605.34167	2.9
605.83252	1.1
606.39508	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	605.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
57.03455	1.4
58.00587	1.1
59.01380	61.4
60.01712	0.8
61.98834	10.1
69.03443	1.0
71.01388	23.2
71.67680	0.6
72.99308	1.3
73.02953	21.3
74.03302	0.7
75.00872	0.7
77.95435	0.6
79.95760	0.7
83.01382	6.5
83.05048	0.6
85.02972	5.0
86.02232	0.5
87.00896	1.0
88.98817	0.9
89.02454	10.3
93.03471	1.1
95.01407	1.7
96.96024	23.6
97.06559	0.6
97.79443	0.5
99.00928	1.1
99.04547	1.3
101.01781	0.9
101.02455	18.1
103.04025	0.8
106.05811	0.5
107.55758	0.6
111.00920	0.8
111.04512	1.0
111.08176	0.9
112.22015	0.5
113.02456	8.0
114.93449	1.5
119.03527	4.8
120.99661	1.2
121.03020	1.4
122.03831	1.0
123.00893	1.3
124.01740	0.7
125.02489	3.5
131.03511	1.3
136.33232	0.5
137.02495	1.7
138.03221	0.7
149.02461	3.0
150.03242	5.6
151.03693	3.2
152.03781	0.9
155.07167	2.6
161.02464	4.0
161.04559	1.1
163.04060	0.9
163.06155	3.2
164.04823	2.8
165.01981	2.1
165.05588	6.1
165.12863	1.0
166.06216	4.4
166.07950	0.5
167.06612	0.9
169.01424	2.7
173.08205	3.9
176.04759	3.4
177.05566	1.7
179.03534	7.5
179.05017	0.7
179.05759	0.7
179.07167	2.2
180.04179	2.4
181.05003	0.8
181.08749	2.0
182.09076	0.7
183.06656	1.6
183.09273	0.7
189.12932	0.7
191.07104	1.5
193.05026	1.4
194.05826	8.9
194.42255	0.6
195.06630	6.1
196.06981	2.7
197.07098	1.2
207.13953	2.6
209.08205	27.1
209.11607	3.6
210.08549	2.2
211.06088	1.0
225.07678	0.9
225.14970	2.6
227.12869	11.0
228.13197	1.3
233.11810	1.4
235.62497	0.6
251.12872	1.8
269.13882	4.0
270.14178	0.6
287.14957	7.9
288.15253	0.8
291.11356	0.6
317.12643	1.1
328.11609	1.9
330.11017	0.8
335.13458	9.4
336.13715	1.2
341.12360	1.0
342.13324	1.1
343.14032	4.7
346.84036	0.6
360.15384	1.2
361.15591	1.4
374.13293	2.0
375.13477	2.0
377.14557	5.5
389.18069	0.7
397.14905	4.7
398.15652	0.6
423.15665	1.0
449.20309	0.7
465.06885	0.8
487.79178	0.7
521.20282	0.8
542.22589	2.3
543.24530	5.3
545.26208	1.7
551.21625	1.8
557.23138	1.4
569.22498	6.3
570.22900	1.8
587.27039	5.7
588.27673	0.9
605.28223	100.0
606.28558	21.3
616.45087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2407
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
59.01382	0.3
61.98829	2.0
74.66956	0.2
98.20618	0.8
103.33047	0.2
106.06660	0.5
145.03015	0.5
345.07178	0.3
394.11670	0.3
415.15448	0.6
429.17233	0.8
430.18216	1.6
430.23303	0.3
442.18250	0.3
443.19052	0.6
444.19867	0.5
453.17450	0.3
455.18695	0.5
456.15878	0.3
457.21057	1.4
458.20700	0.8
459.17743	3.0
461.23483	0.3
470.21024	1.0
471.17682	1.7
472.18872	0.5
473.19659	4.3
474.20352	1.0
475.21310	0.7
485.19714	2.0
485.23904	1.2
486.20584	3.9
487.21680	1.6
496.19153	1.0
499.17429	1.8
500.22327	0.4
501.23926	2.9
502.21893	0.3
503.21228	0.4
511.21368	2.4
513.19415	2.6
514.20099	8.6
515.20502	1.6
517.18909	0.8
518.19586	1.3
527.20880	0.3
528.21478	0.5
529.22412	100.0
530.22742	19.4
532.21259	1.8
533.21790	1.9
561.25098	1.0
573.21320	1.8
574.21918	0.9
605.24280	1.6
605.38306	0.7
606.23853	1.0
606.39703	0.3
609.68683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11443	0.5
55.01864	1.6
56.45974	0.5
56.85527	0.5
57.03447	3.5
58.00620	0.5
59.01376	10.0
59.88693	0.5
61.59948	0.5
66.10136	0.5
67.01890	1.3
68.99823	0.9
69.03452	1.3
70.74728	1.1
71.01387	37.1
72.99312	1.3
73.02947	3.7
78.95940	0.9
83.01394	4.6
85.02961	26.2
86.00111	0.5
86.03294	1.2
87.00883	10.0
89.02457	8.2
94.02499	0.5
95.01397	3.2
96.96025	0.9
97.02957	2.0
99.00909	1.4
101.02461	5.4
105.01925	0.7
111.00902	2.6
113.02467	30.0
114.02785	1.1
117.86945	0.5
119.03478	0.6
129.01973	1.3
131.03508	3.4
133.01459	1.5
133.05130	1.1
139.00388	0.7
151.06139	20.2
152.06461	0.8
165.04024	2.9
173.04565	8.1
189.04024	0.6
201.04060	1.9
205.07204	1.5
215.05678	1.3
233.06848	0.7
245.06702	1.6
265.09253	1.8
283.10382	1.6
317.08661	2.0
415.14557	1.2
449.89734	0.7
573.16595	1.8
605.19336	100.0
606.19653	16.7
628.91510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.5
59.01379	100.0
60.01700	1.1
61.98832	65.6
63.99238	2.1
67.01855	1.1
69.03478	1.7
70.46485	3.0
71.01381	14.9
73.02949	8.1
75.00890	1.0
78.25872	0.7
78.95930	0.9
83.01400	4.4
85.02966	8.7
86.00105	0.9
87.00890	3.7
88.98820	1.7
89.02454	4.8
93.03490	2.1
94.03109	1.1
95.01405	2.3
96.03818	0.9
96.96033	5.1
97.02991	1.1
98.20567	1.1
99.00912	2.8
99.04544	3.1
101.02451	12.0
107.01440	2.3
109.02953	1.2
109.06625	0.9
111.00888	1.8
111.04504	1.0
112.04059	28.4
113.02471	7.8
116.92893	1.5
120.99668	20.4
121.02988	2.3
122.03780	1.5
123.00883	4.4
125.02463	13.2
126.02806	2.2
127.00385	0.9
131.03534	4.8
136.04063	10.3
137.02473	3.5
139.00453	1.7
140.01143	1.3
143.03448	0.9
149.02428	4.4
149.04620	1.1
150.03242	11.3
151.00374	4.7
152.00824	0.9
153.01994	3.2
153.05618	1.3
159.03081	1.5
161.04573	4.4
164.04834	1.2
165.01958	6.2
165.05577	11.9
165.12950	0.9
166.02446	2.1
168.00665	1.1
168.04314	6.5
169.01442	13.5
170.01834	2.6
171.01898	1.9
173.04688	1.2
179.03560	2.0
180.04355	4.6
181.04854	1.1
183.06624	16.4
189.12878	1.3
191.05664	1.9
195.06635	16.2
196.07059	2.0
197.04649	0.9
203.05632	2.4
207.13937	6.0
209.11827	8.5
210.12231	1.0
211.02576	0.9
211.05898	0.9
221.06685	3.8
225.07753	2.9
225.14957	9.1
225.16737	0.9
226.08064	1.0
226.15405	1.3
227.12885	41.6
228.13271	3.4
251.12964	2.3
263.07767	1.8
269.08340	1.1
269.13980	7.7
287.15002	45.9
288.15268	7.0
289.15726	1.7
293.14310	1.0
313.05618	1.9
329.16269	3.9
343.11908	1.1
346.14078	1.1
347.14322	1.6
359.17221	2.9
373.12936	8.6
389.18292	10.9
390.18613	0.9
413.22064	1.3
421.15256	2.3
431.19690	1.1
449.20261	22.0
450.20755	3.6
452.12097	1.3
452.21255	2.1
473.20517	3.2
491.21313	53.1
492.21716	6.5
541.22766	11.7
542.23859	1.2
556.22241	2.3
557.20789	2.5
586.25281	3.3
604.13409	3.4
604.26324	51.6
605.25604	20.2
617.54041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89782	0.9
53.26865	1.0
53.87434	0.9
57.03444	4.9
59.01384	3.2
64.95718	1.2
68.99821	1.0
69.59351	8.5
71.01390	8.5
71.40171	0.9
72.99315	1.5
73.02947	2.1
78.95956	1.2
83.01402	4.0
85.02972	6.5
87.00893	4.6
95.01403	3.2
99.00896	23.7
101.02455	3.3
111.00912	10.2
112.98035	2.6
112.98830	50.8
113.99146	1.3
115.00396	3.1
123.00916	7.2
124.01696	1.7
124.98778	1.4
125.02494	1.8
128.86731	1.0
129.01950	7.5
137.02583	1.0
138.03264	2.8
142.99899	17.5
145.01443	5.5
147.02975	3.3
147.04544	1.3
153.05624	4.6
161.02414	2.5
163.04033	7.1
163.57507	1.1
164.04817	3.4
165.05586	1.7
173.00935	100.0
174.01720	18.0
174.03178	2.0
175.04034	3.7
176.04797	2.6
177.05632	1.6
178.06378	10.8
179.07147	6.5
189.02145	1.2
190.02739	2.9
191.01996	4.9
191.03545	8.7
191.07079	2.9
193.05157	1.6
193.08675	6.7
201.01982	2.2
203.03537	4.1
205.05072	4.3
206.05838	5.6
209.08331	1.4
218.05859	3.0
219.02939	3.5
221.08180	4.2
232.03737	1.3
234.05269	1.5
247.02533	8.1
249.07747	3.0
250.04657	1.2
261.04099	2.0
262.04813	12.7
265.07166	7.9
275.02328	1.6
276.06534	1.4
277.07187	22.5
278.07495	1.6
280.21664	1.2
295.08282	3.6
300.99936	1.8
335.06183	1.5
337.09262	33.8
338.09644	3.0
355.10419	4.4
383.09781	8.6
384.10361	1.2
427.12381	3.4
458.11090	1.0
510.49112	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	603.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01377	34.9
60.01694	0.4
60.99298	0.4
61.98830	5.6
64.98536	0.2
66.49408	0.3
69.49044	2.0
71.01366	0.9
72.99299	0.4
75.00887	0.3
78.44057	0.3
80.02685	0.6
81.03446	0.9
83.01408	0.3
83.05034	3.1
84.02177	0.4
87.00883	0.4
88.98811	2.8
89.02460	0.6
94.91384	0.2
95.05045	0.6
97.06643	0.3
101.02456	0.4
109.06592	0.4
125.06065	0.4
125.09708	0.5
135.08078	0.4
163.11330	2.7
165.12872	2.0
171.10295	7.2
175.04070	0.3
185.11798	0.4
191.10808	1.0
209.11841	100.0
210.12164	7.2
211.13466	0.6
221.12070	0.3
223.13403	0.4
227.12889	10.1
228.13229	0.9
247.13457	1.8
253.09131	0.3
265.14435	0.9
266.85144	0.3
271.51709	0.3
289.18091	0.4
307.19025	0.6
375.21710	0.7
375.25681	0.4
419.24451	0.3
449.25281	0.6
475.27084	1.9
476.27243	0.5
493.27927	1.7
494.28741	0.4
511.29062	1.0
583.28925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86924	0.4
59.01369	1.1
60.99309	16.9
61.98828	4.6
68.61990	0.4
69.05710	0.5
69.84400	2.2
70.56313	0.4
71.01364	0.5
78.95901	1.0
80.00718	0.4
81.96118	0.5
87.00878	1.3
87.24783	0.4
88.00410	3.2
88.98814	100.0
89.02454	29.6
89.99156	1.3
94.21075	0.4
99.32349	0.4
103.92010	0.5
116.92874	0.5
148.90938	1.2
152.47548	0.5
152.99577	0.5
164.18895	0.4
171.10268	0.5
180.93584	0.4
277.21674	1.3
324.97693	0.7
352.03302	0.5
453.93509	0.5
603.20679	1.3
604.19727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95224	0.9
57.03442	2.0
59.01377	58.7
61.98833	7.9
65.35243	0.9
71.01379	8.5
71.81209	0.9
72.99295	1.2
73.02956	1.3
74.85968	0.8
76.59066	0.9
81.03456	2.3
83.01389	2.7
83.05044	4.4
85.02966	2.6
87.00889	1.9
88.70907	0.8
88.98805	3.9
89.02450	5.8
95.01378	1.0
95.05043	1.0
97.02971	2.0
97.06599	2.3
98.19926	2.9
100.84719	1.0
101.02451	6.9
109.06630	1.1
113.02451	3.5
119.03497	1.6
123.04580	1.6
125.09725	3.6
137.09711	2.1
161.04581	2.7
163.11299	6.8
165.12849	2.5
171.10307	7.0
179.05453	1.3
179.42943	0.8
181.12276	2.5
185.11787	6.9
191.10742	1.5
191.14415	6.0
207.10271	2.8
207.65131	0.8
209.11829	100.0
210.12178	7.5
225.11232	2.3
227.12866	10.1
235.08192	1.0
237.11269	3.0
245.19061	9.9
246.19261	1.2
247.13443	1.2
248.83643	1.1
253.09254	27.1
254.09477	1.1
263.20108	3.2
271.16913	2.0
289.18079	64.0
290.18433	7.3
307.19138	64.0
308.19415	6.6
321.17587	1.0
445.21143	1.6
449.25015	1.0
463.40073	0.9
475.27170	1.7
493.27911	2.3
511.29428	1.2
543.28271	1.5
603.30261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
70.76251	0.1
71.04462	0.4
90.52635	0.1
125.22945	0.1
130.62318	0.1
270.48398	0.1
292.42285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.6
61.98833	26.1
63.99265	0.7
67.17750	0.7
69.29739	0.7
69.99985	0.7
71.01386	1.1
71.75961	1.1
85.02928	0.8
89.02468	1.1
93.03467	3.8
94.98113	1.1
95.01360	0.9
96.96022	1.2
101.02451	1.6
107.01459	0.8
108.02159	1.2
112.70638	0.7
113.02452	1.1
116.92883	1.2
119.01373	1.2
119.03512	1.0
119.31107	0.7
120.99622	1.1
121.02975	18.6
122.03777	12.6
123.00890	3.7
123.04517	1.1
125.02470	4.4
133.02992	2.2
134.03688	0.8
135.04539	2.3
136.01697	2.0
137.02461	3.4
137.06117	1.0
139.00380	1.1
140.01161	1.0
140.04436	1.1
147.00906	0.7
149.02460	38.4
149.06096	1.8
150.03246	93.9
151.00392	2.2
151.03613	4.5
153.05582	0.8
162.03178	0.9
163.04076	1.2
164.01184	1.0
164.04817	11.3
165.01950	14.4
165.05582	100.0
166.06372	64.8
166.07857	1.8
167.07030	3.6
168.00645	1.1
169.01450	6.8
169.05023	1.0
170.01660	0.9
177.05560	1.1
179.03520	11.5
179.07147	0.9
180.02832	1.4
180.04309	16.3
181.05174	5.0
181.08717	33.4
182.05759	0.8
182.09012	1.3
194.05922	4.3
194.07382	0.7
195.06636	99.3
196.07016	4.8
205.05057	3.2
206.00696	0.8
210.05316	1.4
225.07680	8.8
227.13023	0.9
265.11557	0.9
287.15039	1.0
297.07797	1.5
299.09174	1.1
300.10068	0.9
301.10718	2.1
329.10287	12.1
343.11725	4.8
344.12604	11.4
345.13040	1.7
358.10461	1.1
359.11575	1.7
359.14999	39.9
360.15240	4.6
373.12936	49.9
374.13416	5.5
403.13931	1.1
407.17145	6.1
408.17307	1.1
421.15018	16.1
422.15570	2.1
449.20117	0.9
451.12430	1.8
539.21497	1.8
540.21643	25.3
541.22021	5.5
543.24872	0.8
555.22473	19.9
556.22791	3.2
567.24597	1.7
573.20135	1.0
603.13507	3.2
603.25348	5.7
604.25525	1.2
617.30975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01380	3.5
61.98833	100.0
62.98553	0.3
63.56962	0.1
63.99267	0.5
65.00327	0.5
69.03428	0.2
71.01401	1.0
71.67596	0.2
72.99319	0.1
73.02968	0.4
73.36304	0.1
74.99146	0.1
78.91901	0.2
80.91669	0.3
83.01389	1.0
84.39942	0.1
85.02960	0.3
89.02438	0.3
93.03455	0.2
95.01398	0.3
96.95979	0.2
99.04546	0.2
101.02467	0.4
107.01407	1.7
108.01711	0.4
109.02921	0.1
109.06567	0.2
111.00906	0.3
111.04507	0.1
111.82214	0.1
113.02454	0.3
116.92878	0.6
117.92852	0.2
121.02964	0.4
122.03714	0.2
123.00909	1.4
123.04524	0.2
124.01546	0.2
125.02468	7.2
126.02802	1.7
127.00391	0.1
127.62375	0.1
131.79546	0.2
135.04509	0.4
136.04865	0.2
136.98839	0.2
137.02451	0.5
137.06125	0.2
139.00397	0.5
140.01123	0.3
141.01912	0.2
149.02441	0.4
150.03290	0.8
151.00391	5.5
151.03932	0.4
152.00706	1.7
153.00798	0.2
161.02489	0.2
161.04575	0.2
163.04008	0.2
165.01950	1.0
165.05612	0.9
166.02356	0.4
166.06142	0.3
168.00659	0.6
169.01447	9.2
170.01782	2.5
171.01892	0.2
173.04417	0.2
175.00403	0.2
179.03496	0.4
180.04294	0.7
180.13535	0.1
181.05081	0.9
193.01427	0.3
195.06624	1.4
196.06932	0.6
207.13817	0.1
209.11882	0.2
210.12115	0.2
211.02467	0.5
212.02812	0.2
225.07666	0.5
225.14960	0.3
226.07922	0.3
226.15335	0.2
227.12848	1.4
228.13264	0.7
269.13763	0.4
270.14291	0.4
271.04556	0.5
287.15027	1.6
288.15335	1.5
311.09378	0.2
313.05515	0.8
314.05933	0.4
316.09323	0.2
328.08951	0.2
328.12640	0.1
345.13443	0.5
346.13754	0.5
347.14316	0.2
357.13412	0.2
358.13733	0.4
360.17468	0.2
374.08221	0.2
376.14886	0.2
389.18097	0.3
390.18451	0.4
439.08951	0.3
440.08987	0.3
449.20419	0.7
450.20633	2.1
451.20609	0.3
539.21259	6.3
540.21600	1.4
542.19543	0.2
554.20996	0.5
558.22449	0.4
567.53052	0.1
602.12244	1.0
602.21497	9.7
603.12280	0.3
603.21033	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	602.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01377	1.5
59.61865	0.2
61.98832	100.0
62.25655	0.1
67.33807	0.2
69.03459	0.3
71.01392	1.1
71.67217	0.2
73.02948	0.2
76.17673	0.1
78.95909	0.3
79.95768	0.2
81.03475	0.2
83.00306	0.2
83.01414	0.5
85.02971	0.4
87.00893	0.3
88.98833	0.3
89.02438	0.4
93.03487	0.5
95.01415	0.5
96.96051	0.3
97.02962	0.3
101.02473	0.6
107.01406	0.9
109.02975	0.5
111.00918	0.5
113.02462	0.5
116.92851	0.2
119.03538	0.2
119.05045	0.3
121.02988	1.8
122.48632	0.2
123.00906	1.3
123.04568	0.4
124.01733	0.3
125.02463	8.7
126.02822	1.1
135.04510	0.2
137.02483	0.9
139.00372	0.2
141.02037	0.2
149.02484	0.4
150.03275	0.5
151.00398	1.1
151.04018	0.4
153.02003	0.6
161.02530	0.3
163.00333	0.2
163.04027	0.4
165.02002	0.4
165.05609	0.6
167.03528	0.2
168.00714	0.6
169.01447	8.3
170.01801	1.3
173.06088	0.2
175.04047	0.2
176.01166	0.3
176.22694	0.2
178.99831	0.3
179.03539	0.4
180.00386	0.2
180.04337	0.2
181.01440	0.3
181.05049	0.3
192.00667	0.4
193.01234	0.2
195.06673	0.6
200.56004	0.2
201.05609	0.2
203.03467	0.2
207.02983	0.2
209.04547	1.5
209.05940	0.1
211.02489	1.0
211.06174	0.3
212.02844	0.2
215.53709	0.2
225.07712	0.2
259.06100	1.0
260.06476	1.1
269.04575	0.8
270.04938	0.7
271.04590	0.8
275.02097	0.4
287.05682	0.3
288.06091	0.5
300.99924	0.3
302.00165	0.2
313.05618	1.5
314.06027	0.8
329.10135	0.2
433.07764	0.3
440.00632	0.2
440.09372	0.3
451.08606	0.9
465.06863	0.4
539.21246	1.6
540.21387	0.5
567.24518	0.2
574.12634	0.9
584.11377	2.6
585.11554	0.3
602.12781	4.1
602.24292	0.9
603.10724	3.1
603.26697	0.9
621.57275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23753	0.1
58.00607	0.2
59.01373	1.3
61.98833	100.0
69.60355	0.5
69.60781	0.8
70.81499	0.1
71.01408	0.4
73.02962	0.3
74.85828	0.2
85.02980	0.2
89.02413	0.2
93.03515	0.2
96.96060	0.2
98.20567	0.3
101.02488	0.2
109.15864	0.2
110.33755	0.2
111.00922	0.2
121.03010	0.3
122.03802	0.5
123.00921	0.3
125.02470	0.9
137.02516	0.3
138.03279	0.2
139.00391	0.2
139.03981	0.2
139.11319	0.3
146.03818	0.4
149.02489	0.7
150.03264	4.7
151.00441	0.3
151.03679	0.6
160.35931	0.2
161.06096	0.3
163.06149	0.2
164.04823	0.6
165.01964	0.9
165.05598	4.6
166.05962	0.8
168.00639	0.2
169.01469	1.1
170.01837	0.3
177.05592	0.3
179.03633	0.3
179.07143	1.8
180.04216	0.8
180.07625	0.1
181.05101	0.4
181.08731	0.4
183.10268	0.4
184.10664	0.2
190.22284	0.2
194.03105	0.1
195.06642	4.3
196.07051	0.5
211.02571	0.3
218.60005	0.2
224.32462	0.2
225.07780	1.0
225.11327	0.2
243.12492	0.2
252.73238	0.2
271.04663	0.6
331.06879	0.5
341.12579	0.2
344.13071	0.2
359.15024	0.3
397.15250	0.5
412.51627	0.2
521.20264	0.4
539.21161	1.5
540.21747	0.4
555.22852	0.2
573.93774	0.2
584.24329	0.8
602.25323	2.5
603.25830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
61.98831	100.0
63.90889	0.1
66.47071	0.1
69.67036	0.8
73.02925	0.1
86.45901	0.1
87.00910	0.1
89.02459	0.1
93.03505	0.1
96.96047	0.2
101.02504	0.2
103.04002	0.1
112.09239	0.1
121.02977	0.4
122.03766	0.3
123.00980	0.1
125.02484	0.4
134.03798	0.1
135.04567	0.2
137.02458	0.2
146.03784	0.4
149.02475	0.9
149.06151	0.2
150.03246	2.8
151.04114	0.1
159.33957	0.1
161.06140	0.2
163.06174	0.3
164.04854	0.5
165.01965	0.5
165.05585	2.5
166.06389	1.8
167.07227	0.1
168.00638	0.1
169.01483	0.5
177.05615	0.3
179.03635	0.2
179.07147	1.9
180.04294	0.7
181.05180	0.3
181.08736	0.8
194.05907	0.1
195.06647	2.6
211.06198	0.1
225.07741	0.7
264.81723	0.1
271.04660	0.1
329.10397	0.2
341.12616	0.3
343.14240	0.2
359.14948	0.6
373.12881	1.1
397.15158	0.3
416.32016	0.1
421.15271	0.4
451.12747	0.1
477.66318	0.1
521.20551	0.2
539.21405	1.4
540.22015	0.4
549.87115	0.1
555.22797	0.5
602.24719	0.1
603.13849	0.2
603.26685	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23344	0.4
54.63913	0.3
57.03447	0.3
59.01384	4.2
61.98832	42.8
62.21896	0.3
63.99267	0.5
65.15914	0.3
69.03471	0.9
69.60650	2.6
71.01379	3.3
72.99332	0.8
73.02945	0.8
78.95918	0.7
79.01900	0.5
81.03452	0.6
83.01375	0.7
85.02948	1.4
87.00884	1.0
88.98814	1.3
89.02464	0.7
93.03453	0.7
95.01381	1.7
96.96030	4.0
96.96973	0.8
97.02958	1.3
98.19923	0.8
99.00909	0.4
101.02456	1.6
101.90626	0.3
107.01407	3.2
109.02949	0.6
109.04119	0.4
111.00896	1.7
113.02457	0.9
116.92876	0.9
119.03526	0.5
121.02962	0.7
123.00905	11.2
123.04549	0.5
124.01629	0.6
125.02461	24.0
126.02824	0.9
127.00388	0.7
131.03564	0.4
134.03714	0.4
136.98839	0.8
137.02472	2.3
138.06786	0.4
138.94820	0.4
139.00400	2.9
140.01154	2.3
141.01979	1.4
149.02460	0.5
150.03194	0.8
151.00388	8.3
151.04022	0.8
153.01950	0.8
153.09216	0.8
161.02388	0.4
163.04005	0.5
165.05542	0.8
167.03508	0.4
168.00685	2.7
169.01440	36.6
170.01761	1.6
177.02002	0.4
179.03468	0.6
181.05034	1.4
195.03183	0.4
195.06653	0.9
211.02478	3.0
225.07658	0.5
225.14996	0.6
253.03406	0.4
271.04605	3.2
273.61154	0.4
287.15109	0.7
313.05563	1.9
314.05844	0.4
433.07626	1.4
449.20267	0.5
457.48874	0.3
465.06992	1.0
539.21277	100.0
540.21613	19.8
567.25543	0.5
602.22449	1.8
603.11072	1.7
603.26929	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	601.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18611	0.3
53.02971	0.3
59.01383	1.7
60.99308	15.8
61.98837	3.4
68.97272	0.3
71.01373	1.5
73.02968	0.3
78.95921	0.3
80.97010	0.3
83.50925	0.3
85.02959	0.7
87.00886	0.9
88.00419	1.7
88.98816	100.0
89.02455	9.8
89.99141	1.2
96.96024	1.3
101.02457	0.9
101.12604	0.3
113.02482	0.7
125.09745	0.4
150.81540	0.3
159.10333	0.5
169.01486	0.4
171.10295	7.5
171.47009	0.3
183.13892	0.4
185.11858	0.4
191.86728	0.3
209.11853	0.5
211.13420	5.8
212.13756	0.5
223.13487	0.4
229.87949	0.5
253.09312	0.4
281.04782	0.4
323.31873	0.3
422.44617	0.3
429.13800	0.3
439.30692	0.8
447.22900	0.4
519.48706	0.3
550.89801	0.3
565.21277	0.5
601.37250	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	601.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13628	0.5
52.37338	0.5
55.01865	0.5
57.03447	1.4
59.01382	15.3
60.99298	0.6
61.98832	78.1
62.98524	0.6
63.62688	0.7
63.99246	1.1
67.01897	1.4
69.02806	0.6
69.03458	1.1
71.01387	9.3
71.69917	0.8
71.70338	0.7
72.01722	0.6
72.99313	1.8
73.02951	2.5
74.99101	1.6
76.51763	0.6
78.91922	0.6
78.95932	0.6
79.01898	1.3
79.95722	0.7
83.01418	1.8
85.02935	3.3
87.00901	2.1
87.04502	0.8
87.27229	0.5
88.98830	1.7
89.02453	3.5
95.01399	3.2
96.96017	8.2
97.02994	0.7
99.00890	1.1
101.02457	6.5
107.01418	3.2
108.02187	0.8
109.02969	1.1
111.00901	1.8
113.02466	4.2
116.92858	3.2
119.03546	1.9
121.02980	1.0
123.00908	14.3
123.04546	0.8
124.01684	1.0
125.02460	16.7
127.00420	0.6
131.03500	0.6
133.53362	0.5
137.02455	1.8
139.00386	3.4
139.11281	0.7
140.01152	2.3
141.01935	2.0
141.12845	0.6
149.04512	0.6
151.00397	8.0
152.01050	0.8
153.01941	1.1
158.94025	0.6
159.46556	0.6
161.04504	0.8
165.01945	1.0
165.05611	0.7
168.00610	2.0
169.01442	17.3
173.11890	0.6
181.05099	1.0
183.10165	0.9
195.06691	0.6
209.11850	0.8
211.02426	0.8
227.12866	1.4
243.06635	1.0
244.06918	1.4
254.03685	0.6
269.21170	2.6
271.77994	0.6
287.22272	22.3
288.22614	2.1
299.04459	0.8
313.05560	0.8
431.26584	2.2
449.27527	32.7
450.27826	5.4
538.16687	0.7
583.27722	2.2
601.28601	100.0
602.28955	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	601.287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62263	0.3
53.66489	0.3
55.01866	0.7
57.03436	1.3
59.01381	15.0
60.93316	0.3
61.98831	35.5
67.01883	1.3
69.03440	1.2
69.79515	2.6
71.01383	8.4
72.99300	1.2
73.02942	2.8
75.00877	0.5
79.01888	1.3
79.95738	0.5
83.00955	0.4
83.01379	1.9
83.05044	0.5
85.02951	3.8
87.00865	1.5
88.98813	1.0
89.02441	3.2
95.01398	3.1
96.96025	3.0
97.02956	1.6
97.06551	0.7
99.00878	1.4
99.04510	0.4
99.92562	0.7
101.02446	5.3
107.01395	2.9
107.05038	0.5
109.02953	0.6
109.06561	0.6
111.00862	1.9
113.02462	3.4
116.92863	1.1
117.80380	0.4
119.03486	1.0
120.99706	0.3
121.02927	0.7
123.00897	12.9
123.04501	0.8
124.01690	0.8
125.02460	15.0
125.06140	0.4
126.02739	1.0
127.00372	0.9
131.03462	0.6
136.98792	1.0
137.02374	1.1
139.00397	3.3
139.04039	0.4
140.01248	2.2
141.01907	1.6
149.04599	0.4
151.00385	7.0
151.03981	0.9
151.11377	0.4
152.00958	0.4
153.01921	0.7
153.05556	1.4
161.02405	0.4
161.04536	1.3
163.04031	0.4
165.01941	0.8
165.05569	0.6
168.00679	2.7
169.01445	14.0
170.01752	0.6
171.10214	0.7
174.01825	0.4
177.01906	0.5
177.05530	0.4
177.09084	0.4
179.03535	0.4
181.05081	8.9
182.05565	0.7
183.06584	2.1
195.06685	0.6
200.03737	0.4
207.13870	1.0
209.11787	1.1
211.02432	0.9
225.14835	0.4
227.12877	1.9
253.03481	0.4
259.19116	0.5
269.21176	2.2
271.04492	1.0
287.22250	18.6
288.22601	2.0
313.05859	0.5
431.26550	2.4
449.27533	36.6
450.27914	5.5
538.22656	0.7
539.23578	0.6
565.32281	0.5
583.27502	2.0
584.27643	0.5
601.28571	100.0
602.28876	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	601.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
58.77985	0.8
59.01379	69.9
61.98832	93.2
69.03458	1.7
69.46997	8.2
69.47312	1.1
71.01379	9.5
73.02944	5.3
78.95904	2.5
79.01917	1.0
81.03464	1.2
83.01390	5.4
85.02959	4.8
87.00895	1.2
88.98840	1.1
89.02439	2.4
93.03455	1.0
95.01411	2.3
96.96024	3.1
97.02972	1.8
97.06605	1.1
99.00883	1.4
99.04510	1.7
101.02435	5.0
107.01363	1.1
108.02187	2.0
109.02966	2.6
111.00914	4.8
113.02489	4.0
116.92878	3.1
119.03555	1.0
121.02959	1.5
122.03732	1.1
123.00883	5.7
123.04521	2.1
123.08165	1.0
124.01672	4.9
125.02457	16.8
126.02808	1.0
135.04514	1.8
136.01677	8.7
137.02461	8.2
137.06021	1.0
138.03230	2.6
139.00386	52.9
139.11417	1.0
140.01086	3.6
141.01941	1.0
147.04539	1.2
149.02435	4.6
149.99588	3.7
150.03232	13.1
151.00368	3.2
151.04033	11.8
152.01160	0.9
153.01962	13.7
154.02740	58.0
155.03534	6.3
161.02466	1.3
161.04588	1.4
163.04080	0.9
164.04762	1.2
165.01949	4.9
165.05577	12.9
165.12947	0.9
166.02693	2.8
167.03436	1.6
168.00661	11.1
168.04288	8.7
169.01442	15.4
169.05072	57.3
170.05447	2.7
175.07532	1.1
177.01976	1.0
179.03555	2.4
179.05664	0.9
180.04283	3.1
181.05043	7.4
183.10336	2.2
194.05888	1.3
195.06633	12.1
196.07056	1.0
207.13928	2.6
209.08211	1.5
209.11864	6.1
214.97614	0.8
221.08220	1.2
225.07712	1.0
225.14957	11.4
226.15358	0.9
227.12892	46.4
228.13196	3.9
233.11935	0.8
248.03267	0.9
251.13020	1.0
269.13870	3.9
271.04544	1.1
287.09485	1.4
287.15039	3.1
292.00549	0.9
308.44446	0.8
313.05655	2.5
313.09317	8.7
327.12595	1.1
345.13434	0.9
357.13419	4.5
371.11377	1.0
373.11429	2.1
375.14615	2.0
385.18304	0.9
388.11456	1.5
403.13998	21.8
404.14233	2.7
431.19098	1.0
538.20038	1.9
539.21320	6.7
541.35107	1.8
553.21210	1.1
565.19922	3.7
571.22137	1.0
583.24158	10.6
584.24524	3.1
601.25012	100.0
602.25323	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	601.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.5
58.00589	3.2
59.01379	14.1
61.98832	100.0
68.99863	0.6
69.03449	0.6
69.60899	4.0
71.01395	4.7
72.99317	0.8
73.02953	4.7
75.00888	0.7
78.95908	0.9
80.91705	0.7
83.01390	4.9
85.02953	2.4
85.15285	0.5
87.00889	1.7
87.04520	1.2
89.02470	0.8
95.01381	0.9
96.96004	4.2
96.96966	1.1
97.02959	0.6
99.00896	0.6
101.02454	2.7
107.01398	0.8
108.02171	1.0
109.02961	1.0
113.02484	1.5
117.03455	0.5
119.03589	0.5
121.02976	1.8
122.03780	3.7
123.00932	1.8
123.04540	3.0
124.01694	0.6
125.02467	7.4
135.04509	2.5
137.02489	1.1
137.06116	1.8
138.03246	0.6
139.00381	1.9
139.11311	9.3
140.01233	0.7
140.11641	0.7
141.01935	0.6
145.02960	2.8
146.03741	1.7
147.04544	1.1
149.02478	6.6
150.03244	48.6
151.00395	3.0
151.04002	4.2
153.01958	1.7
154.02744	1.6
155.10855	0.7
161.02438	3.1
162.03168	2.7
163.04012	1.9
164.04817	2.6
165.05588	48.5
166.02716	2.1
166.05936	2.8
167.03474	0.7
168.00644	2.1
169.01443	9.1
169.05063	1.1
169.12370	1.7
175.07672	1.1
177.05602	1.8
179.03526	1.9
179.07144	2.3
179.10780	1.1
180.04340	4.7
181.05081	7.7
181.12349	4.5
182.05513	0.7
183.10286	11.6
184.10727	0.9
193.79478	0.6
195.06636	31.2
196.07010	2.4
197.11772	1.2
199.13420	0.9
205.12343	0.5
207.10344	0.7
211.02470	1.2
221.08171	1.4
225.11310	6.9
227.12920	1.1
243.12379	4.4
249.11282	1.2
271.04559	1.8
285.13489	0.8
287.14853	0.7
297.07675	0.6
305.34015	0.5
327.14734	1.0
331.06674	1.3
375.14432	1.8
387.16513	1.5
459.18768	1.6
493.20963	1.0
535.21875	1.1
538.19916	1.0
539.21295	4.1
553.22797	7.1
554.23004	1.1
565.22723	1.2
583.24017	18.6
584.24457	4.2
601.24951	66.9
602.25214	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	601.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60306	0.3
55.11912	0.3
57.03457	0.9
58.00587	2.6
58.91494	0.4
59.01083	0.6
59.01378	10.0
61.98830	100.0
69.03459	0.3
69.65237	0.8
69.65641	2.1
71.01383	2.5
73.02953	2.9
78.95943	0.7
81.03494	0.4
83.01391	2.9
85.02975	1.2
87.00897	1.0
87.04534	0.7
88.98814	0.5
89.02437	0.6
93.03482	0.5
95.01368	0.4
95.05010	0.3
96.96030	3.3
96.96980	0.4
97.02979	0.4
101.02462	1.7
107.01409	0.7
109.02958	0.4
109.06619	0.4
111.00899	0.6
111.08216	0.5
113.02473	1.1
121.02967	1.0
122.03750	2.3
123.00898	1.1
123.04542	1.8
124.01701	0.8
125.02460	4.1
133.02986	0.4
134.03793	0.4
135.04541	1.3
136.01659	0.5
137.02432	0.7
137.06110	1.0
139.00368	1.6
139.11310	5.5
141.14648	0.4
145.02975	1.3
146.03729	0.6
149.02472	4.1
149.06068	0.4
150.03244	34.3
151.00377	1.3
151.03979	2.3
151.11334	0.5
153.01955	1.2
154.02748	1.4
159.04526	0.4
161.02493	1.9
162.03249	1.5
163.04080	1.6
163.06187	0.6
163.11304	0.6
164.04796	1.6
165.01947	1.0
165.05580	30.6
166.02762	2.2
166.05876	1.8
167.10814	0.5
168.00647	1.6
169.01437	6.1
169.05092	1.3
169.12355	0.9
175.07545	0.7
177.05598	1.1
179.03519	1.2
179.07190	2.0
179.10788	0.7
180.04295	3.3
181.05067	6.0
181.12350	2.2
182.05530	0.4
183.10275	7.7
184.10565	0.6
189.12836	0.3
193.08769	0.4
195.06633	20.9
196.06987	1.4
197.11818	0.6
200.20148	0.3
209.11783	0.3
211.02393	0.8
221.08162	0.6
225.11356	4.6
227.12880	1.6
243.12321	3.1
249.11295	0.8
263.12741	0.4
271.04642	1.3
282.05222	0.8
287.14911	0.6
291.12305	0.7
303.06955	0.4
312.09918	0.5
324.70761	0.4
327.11795	0.5
327.14929	0.5
331.06735	0.8
372.69913	0.3
375.14456	1.6
387.16248	1.2
459.18582	0.5
493.20590	0.8
523.19934	0.5
538.19836	1.3
539.21356	2.5
553.22656	3.6
554.22888	0.6
565.22937	1.0
583.14606	0.8
583.23938	11.1
584.24249	1.9
601.24915	40.2
602.25208	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	601.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08602	0.8
56.77217	0.7
57.03450	1.1
59.01381	28.0
61.98835	47.1
67.01881	2.0
69.03484	1.1
69.58279	6.7
70.96722	0.8
71.01368	3.4
72.89162	0.8
73.02945	2.5
73.42104	0.9
75.54694	0.7
79.01878	0.8
83.01378	3.0
87.00824	0.8
89.02460	0.9
95.01400	1.4
96.96024	1.4
97.02958	0.9
101.02444	2.4
103.43333	0.7
107.01401	4.7
109.02961	1.8
113.02454	1.3
116.92832	1.6
120.29797	0.8
121.03045	1.0
123.00936	5.7
124.01648	1.2
125.02465	34.4
126.02772	1.8
133.38826	0.8
135.04517	2.2
136.01686	1.4
137.02483	15.4
140.01138	1.1
144.05283	0.8
145.02888	1.1
149.02483	1.9
149.06113	1.1
150.03229	3.4
151.00394	7.4
151.03967	1.2
152.03548	1.0
160.01645	1.2
163.04103	1.3
164.01064	1.3
164.04872	1.1
165.01955	100.0
165.05635	3.7
166.02304	6.3
167.03540	1.1
167.07129	2.1
168.00635	2.4
169.01448	51.9
170.01759	2.7
179.02008	1.6
179.03502	19.5
179.07092	2.2
180.04301	59.9
180.07764	2.1
181.04977	5.0
190.13243	0.7
193.01387	0.8
194.05908	4.6
195.02940	2.1
195.06642	71.4
196.06926	4.1
196.78688	0.7
207.13849	3.5
208.07385	1.8
209.11790	3.6
210.05333	11.7
211.02473	5.2
211.05913	1.4
212.02821	0.9
212.04796	2.1
225.07690	50.8
225.15039	5.1
226.08031	2.7
227.03540	1.1
227.12915	19.4
228.04362	1.6
228.13280	1.3
231.10303	1.0
243.49103	0.9
251.12759	1.7
252.21098	1.0
256.03650	3.5
267.06717	1.1
269.08246	1.2
269.13849	5.8
271.04596	3.1
271.09671	2.4
276.65848	0.9
283.09747	2.4
284.10443	1.1
287.15005	31.4
288.15283	2.0
293.13919	1.4
297.07590	3.1
299.09241	2.1
299.12564	1.2
310.08545	1.2
311.09238	6.2
311.14957	1.0
312.09860	2.9
313.05591	3.8
315.08655	3.4
325.10876	1.0
326.11444	2.7
327.08643	5.6
327.12369	4.9
328.09177	1.1
329.10168	1.2
329.13568	1.5
330.11118	12.5
331.11371	2.4
342.11063	2.7
343.11722	1.4
345.13455	57.8
346.13782	7.6
357.09161	1.4
357.13461	21.3
358.13562	2.7
359.17377	1.4
373.07495	1.3
375.14435	5.7
376.14612	1.4
389.18188	6.1
405.90482	0.9
431.19180	2.0
439.16003	2.4
449.20282	28.8
450.20612	2.6
479.16919	1.3
508.17099	1.3
523.19904	6.3
524.19788	1.7
538.19299	1.0
539.20978	3.1
553.20752	36.5
554.21112	7.9
583.21106	1.3
601.21515	50.8
602.21735	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	601.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62149	0.7
50.84883	0.8
57.03443	1.0
57.77610	0.8
59.01095	1.5
59.01381	22.9
61.98831	57.7
62.67040	0.8
67.01887	1.3
69.51209	1.7
69.51604	7.7
71.01370	2.8
73.02934	3.3
77.26603	1.0
80.94514	0.9
81.69498	0.7
83.01381	1.8
85.02963	1.0
95.01398	0.9
96.96022	1.0
97.90171	0.9
99.04541	1.4
101.02383	1.0
107.01398	4.5
109.02946	0.9
111.00872	1.0
113.02419	1.0
116.92854	1.5
121.02901	0.8
123.00916	5.4
125.02471	28.3
126.02803	2.0
135.04478	2.5
136.01686	0.9
137.02473	18.4
139.00407	1.2
149.02426	1.9
149.06178	0.9
150.03220	3.6
151.00403	9.0
151.03940	1.8
160.01703	1.2
164.01167	1.9
164.04758	1.1
165.01958	100.0
165.05556	4.1
166.02306	4.3
167.07268	1.0
168.00613	2.7
169.01456	47.6
170.01721	2.0
179.03500	20.2
179.07089	1.4
180.04300	61.0
180.07675	1.9
181.04875	4.7
193.01459	0.8
194.05779	3.4
195.06644	69.2
196.06993	5.7
207.13863	3.1
208.07373	1.5
209.11833	2.4
210.05338	11.9
211.02528	4.8
211.05974	3.0
212.04729	3.8
225.07698	55.1
225.14856	4.2
226.07999	3.2
227.03360	1.2
227.12910	16.6
228.04318	1.9
228.13283	1.0
238.23499	0.9
251.12778	1.1
256.03665	3.2
269.07919	2.6
269.13910	5.5
271.04553	4.1
271.09576	2.6
283.09680	1.7
285.07672	1.0
287.14993	24.7
288.15295	1.9
297.07635	3.8
297.10849	1.0
298.08304	0.9
299.09369	1.2
299.12650	0.9
310.08405	2.1
311.09265	5.9
312.09775	2.8
313.05487	4.2
315.08600	3.2
316.09256	1.0
325.10773	1.4
326.11514	2.5
327.08597	5.8
327.12311	4.2
328.09116	1.8
328.12659	1.1
330.11115	12.8
331.11267	1.6
342.11060	3.4
343.11615	1.0
344.12485	1.4
345.13437	58.7
346.13821	7.4
357.09311	1.1
357.13452	22.8
358.13885	1.9
373.07590	1.2
375.14557	5.0
376.14542	1.4
389.18134	5.8
431.18918	2.1
439.15924	1.6
449.20282	20.6
450.20352	3.0
465.98721	0.9
515.42413	0.9
523.19751	7.5
524.20483	1.3
538.19757	3.2
539.21423	9.8
553.20758	36.3
554.21173	8.3
583.21906	1.3
601.21521	38.8
602.21802	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	601.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.1
60.28538	0.5
60.91803	0.5
61.98833	9.0
69.03452	2.5
69.53877	0.8
69.54285	3.9
71.01396	1.0
73.02965	1.6
77.50098	0.6
81.03466	1.2
83.01417	2.1
95.01414	1.6
97.02969	1.9
101.02489	1.1
107.01424	1.6
109.02985	0.7
113.02411	1.1
121.02966	1.0
123.00906	5.1
124.01692	13.9
125.02468	74.3
126.02815	2.5
136.01637	0.8
137.02477	3.2
139.11343	0.7
149.02454	2.1
149.99612	19.5
150.03246	7.6
151.00264	2.1
151.03944	0.8
164.04851	0.6
165.01936	2.5
165.05589	7.5
167.03525	2.1
167.99171	0.7
168.00667	46.7
169.01450	66.2
170.01758	2.8
179.03526	0.8
180.04340	1.9
181.05058	1.0
181.12340	0.6
183.10301	0.8
189.05563	0.8
195.06650	5.6
209.11906	0.9
211.02515	0.6
225.07692	1.5
225.11336	0.7
225.14993	0.6
227.12857	3.2
243.12370	0.8
251.12834	0.6
269.06573	0.8
269.13971	1.0
287.15005	2.9
313.05695	1.7
331.06641	2.2
345.13678	0.6
357.13364	1.9
431.19266	2.8
535.19812	1.5
539.21185	1.9
541.19122	1.2
557.22479	0.6
583.22528	2.0
601.21338	100.0
602.11951	0.9
602.21765	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	601.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01377	18.8
60.99323	1.5
61.98832	33.3
67.01909	0.7
68.97977	0.8
69.03458	0.8
69.37382	8.0
71.01382	5.7
72.79608	0.7
72.99334	2.7
73.02977	1.0
74.67159	0.7
83.01435	1.3
85.03001	1.1
88.98818	8.9
89.02483	2.8
90.99261	1.1
95.01369	0.8
96.96018	6.0
96.97031	0.9
97.02990	1.0
97.05670	0.8
99.04568	1.4
101.02485	2.4
107.01409	5.2
109.02979	1.1
111.00948	2.4
111.86096	0.7
113.02528	2.3
119.03503	0.9
123.00910	4.7
124.01713	2.6
125.02460	44.3
126.02834	2.7
127.00397	1.1
131.61569	0.9
134.03806	0.8
135.44269	0.7
136.98837	1.6
137.02498	1.5
139.00436	3.2
139.04121	1.1
140.01199	3.2
141.01895	0.7
149.02467	1.4
150.03249	2.7
151.00409	4.3
161.02463	1.2
165.01968	2.1
165.05588	1.9
165.12862	0.8
167.03506	2.4
168.00659	16.9
168.01974	1.3
169.01436	64.8
170.01785	4.1
181.05078	1.3
191.03517	1.4
195.06639	1.4
207.13925	2.1
209.11838	6.3
211.02489	74.6
211.29953	0.7
212.02812	4.7
225.15036	2.8
227.12875	1.9
228.03856	1.0
241.03539	2.5
251.12727	1.6
254.74959	0.7
261.00327	1.2
269.13962	11.5
270.14294	0.9
271.04565	100.0
272.04919	7.2
284.03348	1.5
285.03809	1.4
286.03949	1.6
287.07678	0.9
287.14975	2.3
313.05597	1.0
331.06702	23.6
332.07123	1.5
357.13254	1.0
423.05557	1.3
449.20273	10.0
450.20239	1.7
529.09528	2.5
538.19202	1.9
538.25958	2.1
539.21228	8.1
541.19220	2.5
557.22693	3.5
583.20148	3.1
601.11200	11.8
601.21185	99.6
602.12207	1.3
602.21661	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	601.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86617	0.5
55.27725	0.4
57.03448	0.9
59.01085	1.3
59.01382	24.8
61.98834	79.4
63.99255	0.6
66.53210	0.5
67.01905	0.8
69.03465	1.6
71.01398	6.3
71.74290	0.9
72.99315	1.0
73.02940	1.0
75.87897	0.5
77.26165	0.5
77.62213	0.5
83.01412	2.2
85.02979	1.6
89.02460	4.8
90.61709	0.5
93.03526	0.6
95.01413	1.1
95.31595	0.7
96.96027	1.8
96.96991	0.8
97.02944	1.3
99.04530	2.1
100.47021	0.6
101.02470	4.2
107.01411	2.6
111.00896	1.3
113.02488	2.2
115.66557	0.5
116.92884	0.9
119.03535	0.8
121.03001	0.8
122.03774	1.3
123.00903	6.1
124.01700	3.7
125.02470	86.6
126.02820	2.9
127.00388	0.5
136.01669	0.7
136.98822	1.2
137.02446	1.8
138.03270	1.6
139.00388	2.0
139.04056	1.3
140.01205	2.8
149.02478	1.8
150.03249	7.6
151.00400	7.1
151.03998	1.6
153.02068	0.7
160.05321	1.6
163.04056	0.7
165.01970	1.9
165.05547	6.7
165.12856	0.9
166.02740	3.0
166.06136	0.7
166.99837	1.1
167.03531	1.8
168.00655	14.1
169.01450	93.2
170.01759	4.1
175.07605	1.9
177.05534	0.7
180.04253	1.6
181.05081	4.7
181.08705	1.1
189.05589	0.6
190.06339	1.0
193.08786	0.6
195.06693	4.6
207.13892	4.3
209.11859	8.9
210.12114	0.8
211.02498	47.7
212.02805	1.6
225.07726	0.7
225.15033	4.9
227.12976	4.2
239.05542	0.9
241.03587	0.6
251.12904	2.2
269.06790	0.7
269.13922	11.0
270.14310	1.4
271.04593	59.4
272.04849	4.0
282.05338	0.7
287.07709	2.2
287.15024	2.5
297.07654	1.4
312.10040	1.9
313.05594	2.9
327.12360	3.0
329.09030	2.4
331.06717	15.3
332.07056	1.3
357.13342	2.0
375.14517	1.2
387.14630	0.8
405.15811	1.2
431.19165	1.8
449.14374	1.1
449.20316	15.9
450.20612	0.7
497.20026	1.2
497.26712	0.6
523.19519	1.0
535.19592	1.0
538.19788	2.3
539.21271	13.5
541.19281	2.4
557.22455	20.8
557.31030	1.1
558.23035	3.6
583.20270	3.4
601.21381	100.0
602.11938	1.0
602.21704	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	601.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.1
59.01084	1.1
59.01382	28.3
61.98834	68.6
65.00323	4.2
67.01913	0.8
69.03474	0.7
70.74007	1.2
70.74367	1.6
71.01408	2.7
73.02957	3.3
81.03480	1.4
83.01408	8.3
83.70932	0.7
85.03008	0.7
88.98820	0.9
89.02472	1.0
95.01413	1.6
96.96036	1.0
97.02980	1.3
99.04510	0.9
101.01891	0.7
101.02499	3.0
107.01404	15.8
109.02965	1.0
113.02471	1.0
116.92872	1.3
121.02950	1.6
123.00887	5.7
124.01694	1.0
125.02467	60.9
126.02797	2.5
131.01387	0.9
135.04529	1.0
137.02461	5.7
139.00409	0.9
141.01958	0.8
149.02478	1.4
150.03252	5.1
151.00392	58.9
151.03963	1.2
152.00758	2.7
164.01193	0.9
164.04808	1.0
165.01953	31.8
165.05624	4.6
166.02493	1.5
167.03539	1.3
168.00636	2.4
169.01448	100.0
170.01744	4.2
175.00359	1.9
175.07672	0.8
179.03542	5.8
179.06973	0.7
180.04301	17.2
180.45676	0.7
181.05075	3.7
188.00031	0.6
193.01416	3.3
194.05907	0.7
195.03003	0.9
195.06635	23.3
196.06967	1.6
207.13911	3.2
208.07425	0.8
208.14296	0.8
209.07957	0.7
209.11853	2.5
210.05351	3.8
211.02443	4.1
212.02927	0.6
212.04855	1.0
225.07677	14.6
225.14992	5.8
226.08086	0.7
227.12906	20.5
228.04288	1.2
228.13293	1.3
251.12915	1.9
256.03693	1.3
269.08270	1.0
269.13916	6.4
271.04626	1.6
271.09604	0.7
277.21753	0.6
287.15002	32.7
288.15359	3.2
293.13870	1.2
297.07928	1.3
311.09119	2.0
311.15106	1.3
312.09848	1.5
313.05551	6.0
315.08685	1.5
325.10806	0.7
326.11688	0.9
327.08923	1.3
327.12393	2.8
329.16080	1.9
330.11023	3.2
345.13458	18.4
346.13882	2.0
357.13446	9.2
358.13718	1.2
359.17136	1.3
371.17014	0.8
373.07800	1.7
375.14481	2.1
380.49228	0.8
389.18271	7.9
431.19196	2.1
439.15729	1.2
440.16443	0.7
449.20303	28.7
449.26611	1.4
450.20544	4.4
523.19629	2.3
538.19879	2.5
539.21423	3.5
540.34259	0.7
541.18909	1.6
541.34869	0.8
553.20764	10.3
554.20819	2.1
557.22260	2.7
583.20673	1.7
601.21393	93.7
602.21710	18.3
628.37384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.2
61.98833	26.3
64.14790	0.4
65.00307	0.5
67.01894	1.0
71.01391	5.1
71.67230	0.7
72.99305	1.0
73.02946	1.0
75.00869	0.4
77.32987	0.4
79.01858	0.7
83.01403	0.9
85.02937	1.5
85.77789	0.4
87.00920	0.8
88.60712	0.5
88.98808	1.2
89.02464	2.0
93.03462	2.1
95.01389	1.8
96.96031	1.0
97.02967	0.9
97.27256	0.4
99.00893	0.5
99.51081	0.4
101.02448	2.2
107.01389	4.3
108.02177	0.5
109.02982	1.5
110.00101	0.4
111.00897	1.5
113.02441	1.6
116.92834	1.3
119.03545	0.9
123.00082	0.9
123.00902	9.7
124.01684	2.0
125.02469	23.3
126.02811	1.1
133.02957	1.1
135.04558	0.9
136.98846	1.1
137.02451	2.7
139.00388	3.3
140.01198	2.8
141.01950	1.6
149.02483	0.9
150.03221	0.9
151.00400	6.8
151.04028	0.7
153.01944	1.4
153.05544	0.6
159.04469	0.4
161.02504	2.6
163.04016	1.1
165.01958	2.2
165.05577	0.8
166.99919	0.6
167.03514	1.1
168.00662	6.8
169.01440	32.1
170.01764	2.1
179.03488	1.7
180.04266	0.9
181.05042	1.3
182.02335	0.6
183.03020	0.6
195.06596	1.5
201.01941	0.6
203.03609	0.8
211.02490	24.2
212.02806	1.8
221.49648	0.5
225.07632	1.0
229.01398	1.3
231.02980	0.8
241.03531	1.8
249.04033	0.7
250.56053	0.4
257.00854	1.0
259.06067	1.2
269.04572	3.7
271.04587	39.6
272.04950	2.7
275.01959	3.3
283.10110	0.5
287.05643	0.7
289.07178	1.1
299.99023	0.6
300.99872	7.6
313.05820	2.7
331.06711	10.4
332.07257	0.7
375.14517	0.5
390.16547	0.8
423.05630	0.7
529.09991	0.6
532.76685	0.5
537.19775	100.0
538.20074	17.9
583.10602	1.0
600.19891	3.9
600.28217	1.7
601.11340	8.9
601.25684	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	600.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.1
61.98832	16.9
65.42365	0.5
69.64913	3.8
69.65340	1.5
71.01391	4.3
72.99293	0.8
79.01913	1.2
83.01453	0.6
85.02965	1.1
89.02456	2.5
95.01403	0.7
101.02426	1.6
107.01373	3.3
111.00887	2.0
119.03538	1.2
123.00909	5.2
124.01727	2.6
125.02465	23.2
126.02833	1.0
136.98877	0.7
139.00386	2.6
139.03999	0.8
140.01123	3.5
151.00359	3.2
153.01865	0.8
165.01897	0.9
167.03554	1.6
168.00648	14.6
168.66183	0.6
169.01447	37.7
170.01730	1.3
209.85393	0.5
211.02492	63.9
212.02875	3.7
241.03542	2.3
245.17188	0.6
259.06097	1.1
260.95428	0.6
271.04578	100.0
272.04929	6.8
300.99872	1.0
313.05585	1.5
331.06708	29.0
332.07062	3.8
537.19708	78.7
538.20056	14.3
573.12830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	0.4
59.01382	5.5
61.65040	0.3
61.98833	25.1
67.01878	0.8
70.22725	1.9
70.49056	0.3
71.01390	3.4
72.99286	0.4
73.02951	0.8
79.01889	0.6
82.58721	0.5
83.01402	0.8
85.02946	1.2
85.39399	0.3
87.00885	0.5
89.02449	1.9
90.30914	0.5
93.03454	0.5
95.01404	1.5
97.02959	0.6
97.63481	0.3
98.19909	0.4
101.02454	1.0
107.01396	3.2
110.00147	0.5
111.00906	1.6
113.02469	0.8
123.00904	10.9
124.01651	0.6
125.02463	14.5
125.99546	0.4
127.00337	0.4
136.05350	0.4
136.98819	1.4
137.02382	0.6
139.00407	2.8
140.01196	2.1
141.01945	1.1
151.00391	7.9
153.02037	0.5
153.09264	0.7
165.07593	0.5
168.00658	4.1
169.01448	20.7
170.01729	1.1
205.12369	1.4
211.02486	5.7
227.12779	0.7
271.04596	6.0
313.05652	2.2
537.19720	100.0
538.20093	14.5
538.28363	0.6
599.28082	2.2
600.28607	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	600.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
58.00557	0.3
59.01120	0.4
59.01384	4.9
61.98835	24.0
67.01903	0.6
69.03471	0.4
71.01388	3.4
71.75050	0.3
71.75436	0.4
72.99312	0.4
73.02953	0.4
79.01910	0.5
83.01411	0.7
85.02950	1.0
87.00872	0.5
88.98820	0.3
89.02456	2.0
89.74092	0.3
93.03410	0.3
95.01413	1.7
96.96011	0.7
97.02944	0.8
99.00890	0.3
101.02465	1.6
107.01407	2.7
109.02960	0.4
111.00906	1.4
113.02442	0.9
119.03516	0.4
119.81691	0.3
123.00905	10.2
124.01688	1.1
125.02466	14.0
127.00382	0.8
132.67160	0.3
134.06120	0.3
136.05324	0.3
136.98895	1.1
137.00914	0.3
137.02448	0.8
139.00404	3.3
140.01184	2.0
141.01994	1.7
151.00386	6.9
151.04036	0.6
152.00726	0.3
152.08408	0.3
153.01991	0.4
153.09209	0.6
163.03929	0.3
163.11320	0.3
165.01950	1.5
165.05580	0.3
166.02568	0.3
167.03540	0.4
168.00665	3.9
169.01448	19.5
170.01788	0.5
177.01938	0.3
179.03563	0.4
180.04248	0.6
181.05077	0.4
195.02930	0.3
195.06696	0.6
205.12352	1.1
211.02510	7.7
212.03001	0.3
223.13348	0.3
225.07751	0.4
241.03537	0.6
253.03448	0.4
271.04611	10.5
272.04898	0.5
297.06033	0.4
300.99878	0.3
313.05597	1.6
321.94113	0.3
331.06778	2.2
337.77863	0.3
468.59000	0.3
493.17068	0.4
517.76648	0.3
519.18756	1.2
537.19727	100.0
538.20050	15.2
552.21973	0.8
599.27783	0.4
600.20654	1.1
601.21503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.1
59.01375	0.9
61.98831	100.0
62.98536	0.2
62.99273	0.1
69.03436	0.2
69.48019	0.9
71.01384	0.6
72.01733	0.1
73.02937	0.2
75.56179	0.1
78.52217	0.1
83.01411	0.2
85.02976	0.1
87.00922	0.1
89.02463	0.4
90.68682	0.1
96.96031	0.5
101.02479	0.2
113.02465	0.2
123.00936	0.2
123.04543	0.7
124.04891	0.2
125.02457	0.7
130.77740	0.1
149.02437	0.1
150.03140	0.1
151.03989	0.1
152.01244	0.2
153.01970	0.3
154.02158	0.1
167.03513	2.2
168.03824	0.9
169.01466	0.3
177.01962	0.1
227.12807	0.2
241.14481	0.1
288.15753	0.1
401.56036	0.1
420.17346	0.1
432.11380	0.1
533.59125	0.1
535.10602	0.1
537.19739	0.1
600.25323	0.6
601.28821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15384	0.2
50.44716	0.2
55.01880	0.3
56.38103	0.2
57.03451	2.1
58.00600	0.4
59.01379	20.2
60.99320	0.3
61.98832	100.0
65.03957	0.2
67.01903	0.2
67.66641	0.2
68.99830	0.4
69.03477	0.4
71.01388	8.4
71.05040	0.4
71.67965	0.2
72.99326	0.7
73.02947	2.0
75.00888	0.6
78.91968	0.2
78.95938	0.2
83.01392	1.6
83.05053	0.3
85.02957	3.2
87.00906	0.5
87.04534	1.1
88.98812	1.2
89.02454	4.8
89.02982	0.4
90.02767	0.2
93.03484	0.7
95.01384	1.3
96.96033	0.7
97.02982	0.4
97.06612	0.4
99.00897	0.6
99.04539	1.1
99.08201	0.2
101.02460	5.2
101.03079	0.3
102.02841	0.2
107.01405	1.4
108.02197	1.9
109.02989	2.3
109.06637	0.2
111.00925	0.6
111.08186	0.2
113.02469	2.6
113.09766	0.3
119.03540	1.5
121.02995	0.6
121.06627	0.3
122.03764	5.6
123.00896	2.2
123.04547	11.3
123.08187	0.3
124.01697	0.6
124.04884	0.8
125.02468	8.3
126.02863	0.5
127.04060	0.2
131.03534	0.5
134.03815	0.3
135.04602	0.3
135.08264	0.2
136.01801	0.2
136.98943	0.3
137.02475	2.1
137.09790	0.4
137.18135	0.2
139.00415	0.7
140.01170	0.5
143.03523	0.3
143.05048	0.2
145.03043	0.4
147.04536	0.2
149.02435	0.4
149.04631	0.6
149.06073	0.9
149.99640	0.2
150.03241	1.2
151.00388	2.2
151.04060	0.4
152.01120	0.3
153.02000	0.5
153.09291	0.6
154.04327	0.2
155.10846	0.4
157.12361	1.1
161.02483	0.3
161.04546	0.9
162.03256	1.4
163.00359	0.3
163.04071	0.3
165.01991	0.4
165.05591	1.2
165.12840	0.3
166.02766	0.2
166.99869	0.2
167.03522	2.7
167.04854	0.2
168.00681	1.2
169.01442	11.6
169.06601	0.2
169.12483	0.2
170.01811	0.7
171.13982	0.3
173.11906	0.6
177.05557	1.3
178.02814	0.3
179.03876	0.2
179.05666	0.8
179.74706	0.2
180.04321	0.4
181.05154	0.5
183.10364	0.2
185.06168	0.4
187.13420	2.6
187.14966	0.2
193.05096	0.4
194.15297	0.2
195.06709	0.7
196.07477	0.2
201.14990	0.2
207.13911	0.5
209.04521	0.3
209.11844	1.0
211.02452	1.3
211.04109	0.2
211.06241	0.2
211.09802	0.3
217.14439	1.8
225.14964	1.1
227.12894	4.8
228.13287	0.6
229.05171	0.4
241.03534	0.2
251.13014	0.2
261.71765	0.2
267.08765	1.4
269.14014	0.5
271.04572	1.4
281.06714	1.0
284.03433	0.4
285.04053	14.3
286.04306	2.0
287.09390	0.4
287.15060	0.6
311.08197	0.2
313.05670	7.1
314.06134	0.5
327.10803	0.3
331.06940	0.2
359.28906	0.2
371.10089	0.3
377.29071	13.1
378.29434	1.9
407.26691	0.2
431.19409	0.5
537.19434	6.3
539.34265	20.8
540.34528	3.0
555.24567	4.3
556.25043	0.9
581.22241	1.1
582.22577	0.2
599.10822	11.7
599.23816	10.8
600.11188	3.2
600.24127	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	599.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79834	0.2
59.01385	0.3
61.98833	100.0
62.98526	0.2
69.69900	0.8
69.70310	0.3
71.18990	0.2
73.94503	0.2
96.96004	0.2
112.36124	0.2
163.04065	0.2
171.10278	1.0
209.11868	0.7
250.98540	0.2
263.52942	0.2
536.33899	0.2
599.36169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
57.03447	2.9
58.00593	1.0
59.01384	15.4
61.98834	100.0
71.01389	11.3
71.75845	0.7
72.99316	1.2
73.02956	3.9
75.00865	0.8
78.95969	0.3
79.76005	0.3
83.01389	1.9
83.04990	0.5
85.02959	4.5
87.00903	1.2
87.04523	2.1
88.98826	1.1
89.02464	5.8
93.03498	0.6
95.01410	1.8
96.96033	1.4
97.06589	0.5
99.00919	0.7
99.04571	0.5
101.02459	7.1
104.40899	0.4
107.01419	0.6
108.02207	0.5
109.02980	0.8
109.06638	0.4
111.00912	1.3
111.16650	0.4
113.02467	4.5
113.09740	0.3
114.62139	0.4
119.03537	2.6
121.03002	1.0
122.03683	0.6
123.00922	1.7
123.04552	1.2
123.08177	0.8
124.01698	0.4
125.00900	0.5
125.02477	3.2
127.00417	0.5
134.03784	0.8
135.08217	0.9
136.98860	0.7
137.02441	0.8
137.09735	2.0
139.00374	1.0
139.11198	0.4
140.01180	1.5
141.09293	0.7
143.03493	0.6
143.10765	0.4
145.02995	0.5
147.04648	0.4
149.02480	1.0
149.04556	0.5
149.06110	0.7
150.03244	13.0
151.00346	0.9
151.03984	1.1
152.01117	0.4
153.09264	1.2
159.02953	0.5
160.34058	0.4
161.04622	1.0
161.09760	0.9
162.03217	1.2
163.07687	1.6
165.02011	0.9
165.05589	12.5
166.06024	1.0
166.99886	0.7
167.10768	0.7
168.00656	3.6
169.01448	3.4
169.12309	0.6
177.05653	1.1
179.04233	0.4
179.05693	1.4
179.10760	0.8
180.04291	0.8
181.05054	0.7
181.08748	1.3
187.13341	2.2
190.99846	0.4
195.06644	4.6
196.06987	0.5
197.11911	0.4
211.02536	1.0
217.14470	1.4
223.09761	1.0
227.91217	0.4
271.04626	1.5
285.04028	0.8
287.14984	0.7
300.99756	0.6
313.05499	0.7
313.14651	0.4
317.23138	0.4
327.01187	0.5
359.27652	0.4
365.02972	0.4
375.27515	2.0
377.29102	19.2
378.29315	2.1
442.34784	0.4
449.20459	0.7
537.19690	13.9
539.34320	41.9
540.34601	6.7
551.21027	1.5
581.22229	2.5
582.22577	0.5
599.23444	16.2
600.24042	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	599.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08020	0.3
55.01877	0.5
57.03440	1.0
59.01382	38.4
60.01720	0.7
61.98833	100.0
64.92561	0.3
68.99822	0.5
69.03470	0.5
69.50417	2.8
71.01389	7.4
72.90932	0.3
73.02955	3.0
75.00877	1.3
78.95911	0.4
81.03484	0.5
83.01404	1.9
83.05050	0.8
85.02964	4.1
85.45624	0.4
87.00888	0.7
88.98819	1.1
89.02473	2.0
91.64072	0.3
93.03488	0.9
95.01385	1.1
96.96055	0.6
99.00889	0.7
99.04534	2.5
101.02460	4.3
107.01418	0.6
107.05030	0.4
108.02191	5.3
109.02985	6.0
113.02456	2.6
121.02974	1.8
121.06612	0.8
122.03764	16.8
123.00941	1.9
123.04548	28.6
124.01695	0.7
124.04897	1.1
125.02479	5.0
135.04495	0.5
137.02484	4.5
137.09740	0.7
138.02869	0.4
140.01210	0.5
143.03528	0.4
149.02458	1.2
149.06105	2.1
150.03233	0.8
151.00414	2.3
153.01949	0.5
159.03000	0.4
161.04625	1.4
165.01976	0.7
165.05582	1.8
165.12885	0.7
166.99890	0.6
167.03534	1.3
168.00615	2.1
169.01474	5.6
195.06645	0.4
207.13882	1.0
209.11864	3.0
211.02502	0.8
225.14928	2.9
227.12903	13.3
228.13191	0.4
251.12949	0.5
267.08826	2.2
269.04584	0.8
269.13953	1.0
271.04672	1.6
285.04202	0.4
287.14914	2.3
313.05707	0.6
317.03293	0.4
331.06723	0.7
362.10260	0.5
371.09738	0.6
377.29059	1.1
402.50919	0.4
449.20270	0.9
537.19507	14.0
539.34204	4.2
540.35236	0.4
555.24493	9.7
556.25122	2.0
560.73492	0.4
581.22467	3.1
590.35358	0.4
590.44971	0.6
599.23492	51.1
600.23883	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	599.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
57.03450	2.1
57.25735	0.4
58.00599	0.5
59.01379	53.6
60.58170	0.4
61.98830	100.0
65.00316	0.5
67.01895	0.6
68.99807	0.5
69.03468	1.3
71.01387	14.7
71.05033	0.6
72.99326	0.5
73.02953	4.7
75.00869	1.1
81.03461	0.6
83.01393	4.4
83.05053	0.9
84.53048	0.4
85.02950	6.7
85.03432	0.4
87.00884	1.1
87.04513	0.7
88.98825	1.5
89.02444	3.5
90.44706	0.4
93.03484	2.5
95.01395	2.1
96.40534	0.4
96.96024	1.3
97.02987	1.1
97.06585	0.6
99.00903	1.6
99.04510	3.2
101.02454	7.4
107.01391	5.0
107.05065	0.5
108.02194	7.0
109.02969	7.8
111.00910	1.4
113.02455	5.5
114.93458	0.5
116.92896	0.8
119.03526	1.3
119.05070	0.4
120.99553	0.4
121.02980	2.0
121.06612	1.2
121.30196	0.4
122.03759	22.8
123.00908	6.2
123.04547	47.7
124.01702	1.5
124.04882	2.0
125.02464	27.4
126.02819	1.1
127.04009	0.4
134.03807	0.6
135.04552	1.4
136.98888	0.7
137.02457	5.9
139.00406	1.1
139.11334	0.4
140.01175	1.3
141.01952	1.0
143.03552	0.5
144.74516	0.4
145.02988	0.5
147.04611	0.5
149.02470	1.1
149.06100	3.4
150.03235	1.7
150.99310	0.6
151.00414	6.4
151.04033	0.7
152.01126	0.4
152.07018	0.4
153.01984	1.1
157.06696	0.6
159.04565	0.9
161.04630	2.5
161.05907	0.5
162.03304	1.1
163.00342	0.4
165.01920	0.8
165.05595	1.7
165.12839	0.9
166.99809	0.5
167.03528	10.5
167.10809	1.0
168.00655	3.5
169.01443	38.7
170.01787	1.8
177.05592	1.9
179.03448	0.9
179.05708	0.7
181.01418	0.6
185.06129	1.0
187.04051	0.8
187.13414	1.2
189.12862	0.6
193.01456	0.5
195.06615	1.2
203.05623	0.6
207.13902	2.7
209.04648	0.5
209.11836	3.9
211.02454	2.7
225.14966	5.4
226.15459	0.6
227.03809	0.5
227.12897	22.3
228.13187	1.1
229.04958	0.8
241.03323	0.8
251.12798	0.8
253.03465	0.5
257.04651	0.6
267.08719	5.1
269.13947	2.4
271.04617	1.7
284.03183	0.9
285.04053	59.9
286.04373	6.2
287.14963	3.6
313.05643	29.3
314.05957	2.7
327.10742	1.0
329.08850	0.8
371.10043	0.7
377.29071	4.0
407.26468	0.6
431.18985	2.2
444.70547	0.5
537.20209	7.6
538.23846	0.9
539.34253	10.2
540.34460	1.9
555.24524	23.2
556.24738	3.9
581.22589	1.4
599.10449	50.9
599.23578	40.1
600.10822	13.1
600.23907	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	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38554	1.1
57.03445	1.9
58.00583	2.9
59.01380	100.0
60.01714	2.1
61.98833	51.0
65.84245	1.4
69.39775	1.2
69.57659	9.5
69.58074	2.7
71.01387	73.3
72.01757	2.2
72.99313	6.3
73.02949	4.0
73.50948	1.5
78.18758	1.1
83.01402	3.0
85.02959	11.3
87.00889	6.7
87.04531	1.2
88.98827	2.3
89.02455	87.3
95.01385	3.1
96.96029	2.9
101.02455	39.0
104.49985	1.2
107.01396	2.2
108.02206	3.3
109.02994	1.8
113.02471	31.4
116.92878	2.9
119.03518	35.7
121.02962	3.9
123.00909	4.5
123.04502	3.0
125.02473	16.6
131.03500	5.6
133.02991	1.6
137.02477	2.6
138.76753	1.2
140.01187	1.7
143.03542	12.7
145.02933	3.4
149.02492	1.5
149.04568	3.2
150.03195	3.1
151.00385	3.7
151.04054	1.3
161.02423	5.4
161.04575	13.3
162.03247	18.0
165.01947	3.2
165.05582	3.0
166.02562	1.6
166.06361	8.1
168.00652	3.7
169.01443	19.4
177.02005	1.5
177.05568	16.8
179.05641	47.4
180.04393	3.0
180.05966	2.6
181.05069	1.5
181.08693	4.3
189.79004	1.2
195.06604	6.6
204.04280	2.7
211.02509	14.4
225.07654	2.0
241.03471	1.6
266.13300	1.2
271.04596	22.3
283.10822	1.4
285.03979	1.9
310.80200	1.5
313.05661	4.6
331.06720	5.7
359.15070	1.6
405.05725	1.5
504.17236	1.4
536.19336	3.0
537.20197	25.9
539.21008	2.6
558.24835	1.4
563.14240	15.2
564.14191	2.8
599.25317	8.6
600.25342	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	599.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34510	0.3
59.01378	4.6
60.72760	0.2
60.99310	14.6
61.98835	15.4
63.13018	0.3
67.01902	0.4
69.03463	0.4
69.67104	0.5
69.67502	2.3
71.01381	2.4
72.99335	0.5
73.02958	0.5
75.00879	0.4
83.01407	0.6
85.02962	0.6
88.98817	100.0
89.02468	0.7
89.99146	1.3
95.01397	0.4
96.96047	0.6
99.00870	0.3
101.02467	1.5
107.01410	2.8
109.02973	0.7
111.00887	0.7
113.02462	0.9
116.92920	0.4
120.99660	0.4
121.02993	0.4
123.00882	2.5
123.04519	0.8
124.01655	0.7
125.02467	18.1
126.02797	0.8
130.27124	0.3
133.16612	0.3
135.04553	0.4
136.98758	0.4
137.02464	0.4
139.00381	0.8
140.01175	0.8
141.01907	0.3
149.02469	0.7
150.03262	0.6
151.00404	2.9
152.01067	0.3
161.04572	0.5
165.05573	0.9
166.99910	0.4
167.03503	0.4
167.07118	0.4
168.00682	1.2
169.01448	25.9
170.01776	0.9
179.07205	0.5
181.05028	0.3
191.75438	0.3
195.06610	0.6
199.03918	0.3
209.11978	0.4
211.02467	2.4
213.05756	0.3
227.03496	4.0
227.12871	1.1
228.03828	0.4
229.05074	1.0
239.03497	0.5
241.03561	1.2
255.02966	6.6
256.03494	1.1
257.04465	0.8
267.11078	0.3
271.02130	0.5
271.04745	1.5
284.03259	9.1
285.04019	8.9
286.04425	0.7
300.02808	1.7
301.03464	0.8
313.05627	5.3
314.05951	0.4
322.00211	0.3
332.43539	0.4
377.28900	0.4
395.82086	0.3
421.65973	0.3
427.84125	0.3
428.24670	0.3
447.09317	1.1
463.08405	0.4
509.16180	0.4
536.18341	0.5
537.19208	1.7
537.26245	4.6
539.34344	1.5
569.16504	0.3
581.21393	0.3
598.35175	0.5
599.10449	38.4
599.21161	1.8
599.35510	0.9
600.10852	7.6
600.20038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1043
Annotation	Kaempferol 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
53.21244	0.4
55.01869	0.4
57.03426	0.5
59.01376	7.1
60.98985	0.6
60.99305	15.4
61.98829	21.1
65.00331	1.1
67.01904	0.4
69.03449	0.9
69.59002	0.5
69.59402	3.0
71.01382	4.5
72.99342	0.5
73.02944	1.4
75.00876	0.5
79.01880	0.6
79.63757	0.4
79.64228	0.4
83.01396	1.1
85.02953	1.6
87.00900	0.4
88.98812	100.0
89.02464	2.2
89.99148	0.7
93.03487	0.5
95.01388	0.9
96.96022	1.0
97.02986	1.1
97.29005	0.4
98.19896	0.7
101.02447	2.7
107.01408	7.9
108.02197	0.5
109.02956	0.9
111.00874	1.0
113.02465	1.9
116.92819	0.4
119.03483	0.7
119.05022	0.8
121.02920	0.7
121.55093	0.4
123.00919	5.6
123.04525	1.7
124.01636	1.1
125.02461	41.6
126.02817	1.4
135.00899	0.4
135.04572	0.4
136.98906	0.6
137.02440	1.0
139.00377	2.1
140.01172	1.4
141.01976	0.8
149.02480	0.6
150.03224	1.1
151.00389	6.9
151.04015	0.4
152.00832	0.7
153.01974	1.0
163.00400	0.7
164.01125	0.6
165.01897	0.5
165.05649	1.2
166.99777	0.4
167.03548	0.5
168.00623	2.1
169.01447	60.5
170.01790	1.9
179.00008	0.4
179.05705	0.6
187.03979	0.7
193.01375	0.6
211.02420	2.9
211.04163	0.5
227.03497	9.1
227.12880	1.2
229.05055	2.6
239.03566	0.6
241.03345	1.9
255.02953	16.4
256.03448	2.4
257.04526	1.7
271.02130	0.6
271.04620	1.5
284.03253	23.3
285.04004	22.6
286.04361	1.8
300.02667	2.0
301.03275	1.1
313.05615	11.3
314.06110	0.8
327.05322	0.5
377.29178	0.6
418.28683	0.5
447.09192	1.8
447.18765	0.5
459.34875	0.4
537.18097	2.0
537.26544	3.3
539.34363	3.9
598.35181	2.1
599.10425	87.1
600.10779	18.4
600.18799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
61.01802	0.2
61.98831	100.0
62.98548	0.1
69.52109	0.6
69.52530	0.9
71.01389	1.0
85.02973	0.2
88.98826	0.3
89.02437	1.0
90.02813	0.2
96.96001	0.2
101.02485	0.6
113.02507	0.3
116.92897	0.7
121.03004	0.5
125.02451	0.5
131.03578	0.2
133.45853	0.2
149.04599	0.6
150.03311	0.2
150.04906	0.2
163.04068	0.1
165.05580	0.2
169.01515	0.4
179.05618	0.3
191.05695	0.3
192.31154	0.1
206.30203	0.1
209.04555	0.4
210.04956	0.2
228.68889	0.1
258.00299	0.1
288.15353	0.2
538.28619	0.6
598.24890	0.2
622.40802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03446	1.1
58.00600	0.6
59.01379	57.0
60.01704	0.7
61.74918	0.4
61.98835	0.6
69.03454	1.0
69.61622	1.3
69.62048	1.6
71.01386	15.8
72.99327	1.3
73.02948	11.1
83.01389	3.1
85.02950	6.0
87.00895	1.2
87.04556	0.8
89.02452	11.3
89.02991	0.6
95.01395	0.9
97.02953	0.7
97.06564	0.5
99.00920	0.7
99.04534	1.1
101.01781	0.8
101.02450	13.3
102.02782	0.4
103.04048	0.8
109.02977	0.4
109.06575	0.4
111.04543	0.6
113.02460	5.6
115.04058	0.7
119.03519	4.3
125.02460	0.7
127.04042	0.5
131.03539	0.6
143.03531	0.8
145.05099	1.4
147.06664	2.5
161.04596	1.1
165.07687	10.5
165.12866	1.1
179.05664	1.4
189.07748	1.6
205.07184	0.5
207.09047	0.4
207.13972	1.1
209.11855	3.3
209.88588	0.4
225.14957	3.9
227.12898	16.9
228.13222	1.4
233.11809	0.6
251.13037	0.8
254.34122	0.4
269.13907	1.3
287.15021	1.5
309.11896	3.4
312.67801	0.5
327.12982	4.3
369.13998	2.1
561.25336	0.5
579.26447	3.6
580.27191	0.6
597.27606	100.0
598.27954	16.1
598.37598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
58.00587	1.8
59.01381	37.8
61.98830	10.1
69.03458	1.1
71.01385	36.2
71.72149	1.0
72.01725	0.9
72.99306	2.9
73.02957	6.2
75.00901	0.7
81.03447	0.9
83.01391	2.3
85.02961	9.6
87.00871	5.2
89.02455	38.1
93.03497	0.7
95.01385	2.3
96.96014	1.0
97.02965	3.0
97.57359	0.6
99.00890	3.2
101.02454	20.8
101.06065	1.5
101.91543	0.7
102.02719	0.7
109.02956	1.4
111.00878	2.6
113.02469	10.7
116.92857	1.2
119.03508	5.7
121.02982	2.3
122.03726	0.7
123.00919	1.6
123.08166	2.0
125.02481	5.5
126.02724	0.8
129.01917	1.7
131.03514	15.6
132.03897	0.8
135.04472	0.8
137.09789	1.0
138.06857	4.5
139.03893	0.7
141.09224	3.0
143.03529	1.6
149.02524	3.2
149.04567	12.7
149.09766	2.0
150.03256	8.5
151.03922	0.8
153.09265	4.9
161.02518	1.0
161.04605	2.3
164.04768	0.8
165.05592	9.1
166.02740	1.2
167.10806	3.1
167.81615	0.7
169.01395	3.1
175.02477	0.7
175.04080	0.8
179.03578	1.6
179.05579	1.9
179.07094	1.1
180.04189	0.8
181.05058	1.6
181.12335	1.4
191.03775	1.1
191.05640	8.3
195.06604	2.8
204.06693	1.6
205.01559	0.8
206.69330	0.7
207.13898	0.8
209.08119	0.8
211.02428	0.8
222.44341	0.7
225.14964	2.1
240.86816	0.6
243.15993	10.1
244.16380	1.3
247.02489	1.0
249.03963	1.6
266.07486	0.7
275.01987	1.4
293.08850	1.2
299.98923	1.0
300.99924	2.3
318.61447	0.8
321.40125	0.7
327.13474	5.7
328.13730	0.8
337.09189	1.3
357.13428	1.4
369.13669	0.8
377.05365	0.7
405.21201	14.1
406.21591	2.2
426.08170	0.8
435.16867	0.8
461.14594	2.9
507.20142	0.9
525.12628	0.9
533.16510	1.0
534.43756	0.8
537.25476	100.0
538.25818	14.9
579.17334	1.1
597.18591	11.8
598.17920	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	597.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81240	0.6
55.01873	0.6
57.03439	1.3
58.00596	0.9
59.01379	68.5
60.01713	1.6
61.98830	0.6
67.09289	0.6
69.03466	1.6
69.39023	5.2
69.39435	1.8
71.01385	18.7
71.73594	0.6
72.99309	1.2
73.02953	15.3
83.01381	3.8
85.02960	7.2
87.00876	2.4
87.04535	0.8
89.02452	16.3
95.01402	0.9
97.02962	0.7
99.00851	1.4
99.04534	1.4
100.01711	0.7
101.02458	17.1
103.04057	1.6
113.02468	7.4
115.00363	0.7
119.03525	4.7
125.02481	0.9
131.03513	0.8
133.01456	1.0
143.03474	1.2
143.44865	0.7
145.05084	1.0
147.06691	3.1
151.72748	0.6
161.04578	1.8
165.07712	14.0
165.12790	1.0
179.05638	1.2
189.07709	2.2
207.13913	1.7
209.11829	4.4
225.14911	3.6
227.12892	19.5
228.13171	1.6
251.12917	0.7
269.13879	1.8
287.14920	2.0
309.11877	2.7
327.13052	6.8
369.14081	1.5
413.32080	0.6
427.23206	0.6
515.00580	0.6
579.26758	4.4
597.27625	100.0
598.27942	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	597.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27516	0.8
54.09546	0.6
55.01891	1.0
57.03447	1.5
58.00595	1.2
59.01379	100.0
60.01693	1.6
61.98832	94.6
63.91036	0.6
69.03460	15.4
69.33475	7.8
71.01386	41.7
72.01711	1.1
72.99316	1.9
73.02952	10.6
75.00890	1.5
79.01913	2.4
81.03471	2.3
83.01397	7.1
85.02966	9.0
87.00897	2.1
88.98837	2.7
89.02454	40.3
90.02775	0.7
90.63010	0.6
93.03474	1.9
95.01388	4.2
96.96030	0.9
97.02970	9.7
97.06561	0.7
99.00899	1.5
99.04529	1.7
101.02454	14.3
107.01401	8.2
108.02193	30.0
109.03003	13.3
111.00908	1.8
113.02469	9.5
116.92866	6.7
119.03522	2.6
119.05052	1.2
119.09424	0.7
121.02964	3.3
121.06622	0.9
123.00909	3.4
123.04560	1.8
125.02464	33.4
125.67455	0.7
126.02840	0.9
131.03523	9.6
135.00900	25.1
136.01289	0.6
137.02444	4.3
139.04008	1.1
143.03493	2.3
145.02928	1.1
147.04550	12.0
149.04572	11.1
150.03239	1.8
151.00381	3.6
151.04012	1.2
152.01178	52.9
153.01965	45.0
153.03249	0.9
154.02335	2.1
161.04567	2.0
163.03999	2.1
165.05580	4.1
165.09212	1.1
165.12857	1.4
167.10844	0.7
168.00650	1.2
169.01460	3.2
177.01973	2.2
179.05681	1.0
180.04189	0.8
191.05621	3.0
195.02934	4.7
195.06584	0.8
197.06052	2.6
207.03049	1.0
207.13913	6.3
209.11876	7.1
213.05533	0.8
225.14970	8.7
226.15382	1.0
227.07036	0.8
227.12903	34.3
228.13220	2.9
233.06625	2.2
242.05878	1.2
243.06613	19.6
244.06924	2.0
251.12987	2.0
269.13965	11.3
270.14194	1.1
285.06396	1.3
287.15002	58.3
287.43689	0.8
288.15314	6.9
293.08804	16.2
294.08990	1.1
327.07205	7.8
327.10880	1.9
328.07526	0.8
329.16104	5.4
359.17200	3.4
369.08057	1.5
369.12134	1.3
386.72739	0.7
389.18082	12.7
389.22784	1.0
390.18475	1.4
393.70087	0.8
403.16428	0.8
411.09152	1.3
429.10385	68.0
430.10733	9.8
431.19315	1.1
449.20306	15.3
450.20599	2.3
561.21960	2.9
562.22034	1.3
579.24530	2.0
597.25500	48.5
598.25830	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	597.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45714	0.4
52.67156	0.4
55.01867	0.5
57.03430	0.6
59.01380	41.7
59.82996	0.4
60.99295	0.6
61.98833	32.8
62.98561	0.5
70.19399	0.4
71.01389	10.7
72.99301	1.8
73.02956	7.2
75.00839	0.5
75.41824	0.5
78.23495	0.4
83.01392	3.0
85.02963	2.0
87.00858	0.8
88.91129	0.4
88.98811	1.7
89.02448	3.8
92.94080	0.4
96.96011	0.6
97.02931	0.8
99.00874	0.4
99.04517	1.2
101.02464	6.9
108.21032	0.4
109.03024	0.4
111.79919	0.4
113.02451	2.9
116.92882	3.2
119.03573	1.1
119.05075	3.2
121.02964	0.5
122.89853	0.4
123.04476	0.5
125.02458	1.6
131.03522	0.6
143.03496	0.7
144.86592	0.4
147.04544	49.0
148.04869	1.9
151.00403	0.5
151.69038	0.4
152.01218	0.6
161.04590	0.7
165.05585	11.4
165.12851	0.8
166.06017	0.4
167.10745	0.5
168.03902	0.4
169.01404	1.2
189.12866	0.6
192.85617	0.4
207.13911	3.8
209.11833	4.1
221.66356	0.5
225.14973	3.0
227.12901	15.1
228.13240	0.7
237.39374	0.4
243.12247	1.1
251.12750	0.9
269.14001	5.8
287.15005	14.4
288.15298	1.5
309.09686	1.2
311.15106	0.6
324.78729	0.6
327.10831	9.9
328.11185	0.7
356.84839	0.5
369.11932	8.0
370.12219	0.5
389.18225	0.9
421.09045	0.6
431.19443	0.9
449.20090	0.9
517.31732	1.2
537.23456	3.4
579.24506	5.2
580.24585	0.8
597.25525	100.0
598.25879	17.8
598.33209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03463	1.4
58.00596	0.7
59.01380	8.2
61.98845	3.3
69.03470	1.3
70.08542	3.0
71.01389	9.1
72.99313	1.8
73.02951	2.8
75.00893	1.2
81.03474	1.0
83.01395	4.4
85.02967	4.0
87.00887	26.2
88.01272	0.6
89.02450	5.5
93.03478	2.5
95.01398	0.9
96.96010	0.9
97.02980	2.0
99.00890	3.7
100.01693	1.6
101.02463	6.2
109.02980	1.5
110.00131	1.3
111.00901	28.5
112.01234	0.7
112.98819	1.2
113.02481	2.9
115.00461	0.7
119.03548	0.9
121.02959	4.0
122.03777	8.6
122.06177	0.8
123.00909	1.5
123.04567	1.8
124.01729	0.6
125.02488	3.0
127.04053	1.0
129.01999	2.6
131.03510	3.5
133.02995	2.3
135.04565	1.3
136.01726	1.4
137.02493	1.8
138.03270	1.0
145.03072	0.7
147.03033	1.8
147.04547	0.7
148.01700	0.6
149.02464	21.6
149.04382	1.0
149.06036	0.8
149.09735	0.7
150.03247	76.7
151.00418	1.7
151.04041	9.2
152.04355	0.8
153.05577	1.6
161.02455	3.0
161.04588	0.9
163.04048	2.1
164.04811	12.0
165.05591	76.1
166.02773	2.7
166.05922	4.1
169.01430	1.4
173.00932	1.5
173.02321	0.7
174.01724	0.8
175.04015	1.3
176.04858	2.6
177.01979	1.8
177.05463	1.3
178.02661	0.7
178.06284	1.6
179.03534	5.0
179.05672	1.0
179.07121	10.7
179.08723	0.7
180.04311	7.4
181.05096	6.3
183.70747	0.5
186.05656	0.9
189.05450	0.7
190.02722	1.7
191.01964	1.1
191.03500	2.3
191.05640	2.5
191.07236	1.7
192.04359	0.9
193.08768	1.2
194.05888	5.5
195.06638	23.8
196.07060	1.2
204.06657	1.1
205.05063	1.7
206.02362	0.9
206.05905	0.9
207.06561	1.4
209.08194	7.5
217.04970	0.6
219.03029	2.1
219.06664	2.1
220.03737	1.0
221.04575	1.1
221.08098	1.5
222.05298	0.8
223.06068	0.9
231.02959	1.9
233.04576	0.9
234.01790	0.6
234.05339	2.6
235.02461	0.7
236.06903	0.7
237.07648	1.4
243.16159	0.7
246.05269	1.1
247.02435	1.0
247.06204	2.3
248.03264	0.8
248.06677	0.7
249.04012	4.5
249.07649	5.0
250.04675	1.3
261.03983	0.6
261.07596	1.1
262.04764	0.9
263.05634	1.3
264.06378	12.3
264.08957	1.1
265.07114	8.1
266.08072	0.7
275.02084	0.6
276.06479	1.3
277.07260	1.6
279.08792	1.1
289.07022	0.6
291.08743	1.7
293.12521	0.9
293.30130	0.6
300.99921	1.4
321.09760	1.3
327.13538	6.1
337.09311	9.3
339.13519	0.9
342.10971	0.9
357.13318	3.1
369.13141	1.0
385.13025	1.0
387.14725	0.7
397.12955	0.6
400.10260	1.1
405.21301	0.8
413.12427	5.3
414.12805	1.0
453.39496	0.6
461.14551	44.5
462.14825	6.0
473.14255	1.1
487.16144	2.3
505.17175	2.7
507.19913	1.2
517.16656	1.0
521.16681	5.2
531.15277	1.0
533.16473	1.0
537.25403	8.9
538.25909	1.2
579.17102	10.0
580.17426	0.7
597.18268	100.0
598.18658	21.0
611.65552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
56.25737	0.7
57.03450	1.8
59.01376	10.2
61.98835	6.3
67.56824	0.7
69.03473	1.6
69.59272	0.9
69.59676	5.5
71.01388	11.8
72.95302	0.7
72.99298	2.0
73.02949	4.9
74.27785	0.7
75.00880	9.5
75.74200	0.8
83.01398	2.3
83.37585	0.7
85.02962	4.7
87.00370	1.5
87.00887	24.7
89.02465	6.8
90.40146	0.6
93.03466	3.1
95.01395	1.4
96.96014	1.3
97.02959	2.2
99.00875	5.3
100.01701	3.7
101.02460	5.2
105.03448	0.7
107.05031	0.7
108.02222	1.3
108.64136	0.9
109.02988	1.7
111.00896	16.2
112.98804	4.2
113.02438	2.3
115.00421	1.0
119.03482	1.1
121.02951	3.6
122.03767	10.4
123.00900	7.5
123.04523	1.9
124.01656	1.2
125.02467	2.5
127.04012	0.8
129.01898	1.2
130.02725	1.4
131.03539	4.7
133.02960	2.4
135.04562	1.9
136.01646	1.1
137.02478	0.8
138.00050	0.7
138.03293	1.5
142.99879	3.1
145.01447	1.5
147.04549	1.4
149.02470	23.2
149.04527	2.0
149.09689	1.4
150.03252	77.3
151.00398	1.9
151.03986	5.7
153.05598	1.2
153.09201	0.8
157.01318	0.8
161.02505	3.9
162.03290	1.3
163.04010	3.3
164.04813	10.2
165.05589	86.5
166.02699	5.2
166.05936	4.8
167.10744	3.6
169.01399	2.1
173.00931	5.9
173.02406	1.1
174.01671	2.4
174.03084	0.9
175.04015	2.6
176.04756	3.2
177.01981	1.7
177.05290	1.0
178.06361	2.2
179.03540	5.0
179.05609	1.1
179.07094	6.7
180.04300	7.8
181.05080	6.8
188.04938	0.9
189.01962	0.9
189.05571	1.2
190.02687	1.7
190.06348	1.0
191.03531	5.5
191.05579	3.1
191.07167	2.5
192.04251	1.4
193.08693	1.5
194.05843	5.7
195.06641	31.9
196.06937	1.6
203.03537	2.2
204.04221	0.9
205.04968	3.9
206.05885	3.5
207.06589	1.9
209.08176	6.8
219.02960	1.9
219.06667	1.2
220.07443	0.8
221.08209	6.6
229.01544	1.0
233.04491	0.8
233.08102	1.1
234.05249	2.5
235.05930	1.1
237.07640	1.0
246.05382	1.1
247.02426	3.8
247.06021	1.1
249.03954	2.7
249.07643	2.6
261.04050	2.5
261.07611	0.7
262.04810	7.4
263.05463	2.0
264.06369	4.8
265.07162	4.7
266.07980	0.8
271.54044	0.7
275.01880	0.9
276.06311	3.5
277.07169	10.2
278.07559	1.0
289.07367	0.9
291.08780	1.6
300.99832	1.3
322.07178	1.3
327.13043	0.8
337.09296	27.3
338.09564	2.3
354.11288	1.1
357.13409	1.1
369.13455	6.6
370.13864	1.4
387.14526	1.0
397.13461	1.1
405.16199	0.8
405.21310	2.9
413.12500	4.3
421.13531	1.0
425.12848	1.3
443.13162	1.6
461.14526	25.6
461.21118	1.3
462.14841	3.0
473.14471	3.1
485.14365	1.3
491.15387	2.1
503.15442	1.6
521.16547	3.2
533.16718	7.2
534.17242	1.1
537.25378	8.2
538.25934	1.4
579.17218	17.8
580.17426	2.2
597.18274	100.0
598.18719	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	596.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34999	0.3
53.97734	0.3
59.01378	2.1
60.99308	0.6
61.98834	100.0
63.99255	0.5
67.26927	0.3
71.01397	2.0
73.02951	0.6
83.01402	0.4
85.02979	0.6
88.98819	0.9
89.02488	0.5
99.00914	0.6
101.02472	1.0
107.56205	0.4
113.02470	0.6
209.11795	0.4
225.16090	0.3
377.28226	0.5
393.27887	0.5
395.29388	0.3
405.28406	1.4
407.29562	0.6
423.29373	0.4
441.29965	1.2
453.30054	1.4
455.27979	1.1
463.32608	0.5
464.33099	2.4
467.28143	0.6
469.29675	0.4
471.31116	7.4
472.31836	1.5
485.29102	28.9
486.29538	4.2
533.31171	89.5
534.31537	15.7
537.32703	0.7
596.37317	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
60.99310	0.4
61.98830	100.0
62.98513	0.1
63.99260	0.2
65.54546	0.1
70.83988	0.1
71.01392	0.7
72.99332	0.2
73.02962	0.2
74.61834	0.1
77.98358	0.1
85.02965	0.3
87.00893	0.1
88.98812	2.2
89.02464	0.3
89.99156	0.1
96.96099	0.1
98.20638	0.2
101.02467	0.4
103.46118	0.1
113.02473	0.3
125.02485	0.2
131.03525	0.1
135.04599	0.1
161.04480	0.1
161.05855	0.1
163.04039	0.1
188.34064	0.1
198.42038	0.1
243.19656	1.5
243.22095	0.1
287.66714	0.1
316.25888	0.1
463.32556	0.1
464.33014	0.5
533.31445	0.1
536.34039	0.2
596.23969	0.1
596.28516	0.1
596.37610	0.3
597.30835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51264	0.1
50.63177	0.1
59.01377	1.1
61.98830	100.0
62.98527	0.2
71.01387	0.6
77.46959	0.1
77.89763	0.1
83.01408	0.2
85.02964	0.3
87.00894	0.2
88.98817	0.5
89.02463	0.4
90.34541	0.1
101.02467	0.5
111.31325	0.1
113.02441	0.3
116.92868	0.4
119.03558	0.1
119.05054	0.4
121.03026	0.1
123.44398	0.1
125.02469	0.4
137.02429	0.2
149.02484	0.2
151.04027	0.2
153.01918	0.2
161.02446	0.1
163.04092	0.1
166.02686	0.1
169.01424	0.3
182.63081	0.1
209.08257	0.1
248.03070	0.1
249.04294	0.2
275.02274	0.2
278.82278	0.1
301.00003	0.4
312.09924	0.1
356.09021	0.3
371.11380	2.3
372.11768	0.4
521.06989	0.2
533.16656	0.3
534.16669	0.1
537.33002	0.1
558.08545	0.1
595.33411	0.3
596.24731	0.2
596.33936	0.3
597.24902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03450	3.0
58.00601	1.3
59.01381	20.3
61.98832	31.1
62.98530	0.3
63.99218	0.2
64.54779	0.2
67.01902	0.2
68.99821	0.2
69.03461	0.9
71.01385	34.1
71.57854	0.6
72.01743	0.5
72.99319	1.9
73.02951	11.8
73.51274	0.2
75.00874	0.9
78.95908	0.4
81.03488	0.5
83.01396	7.0
84.02175	0.2
85.02959	19.6
86.00107	1.1
86.03300	0.4
87.00886	2.1
87.04538	0.7
88.98812	0.9
89.02452	7.4
95.01399	3.0
97.02972	1.3
97.06650	0.2
99.00893	6.6
101.02457	27.3
102.02795	0.5
105.88502	0.2
110.89472	0.2
111.00895	4.7
113.02467	13.3
114.02809	0.2
115.04068	0.2
119.03529	1.0
123.00863	0.3
125.02458	2.1
129.01939	1.1
131.03520	2.8
139.00418	0.3
141.01945	0.9
143.03493	1.6
149.04532	1.1
151.90601	0.3
159.03006	2.1
161.04575	3.9
168.98083	0.2
172.57599	0.2
178.61198	0.2
181.12413	0.3
191.05719	0.3
203.59201	0.2
227.12811	0.4
227.23219	0.2
233.06644	0.4
241.21701	0.5
255.23387	0.5
271.22766	0.5
285.24487	1.2
293.08871	0.3
299.25949	0.9
301.27386	1.9
301.30371	0.3
338.43976	0.2
343.28452	0.4
403.26920	1.0
414.05377	0.2
433.28171	0.5
438.63986	0.3
445.31949	1.2
461.31140	0.4
463.32748	100.0
464.33099	12.9
485.29050	2.1
532.10651	0.3
533.14709	0.3
533.31116	5.5
535.31702	0.5
595.37122	57.4
596.37537	8.6
616.37732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03466	0.3
57.98314	0.2
59.01382	4.8
60.01697	0.2
60.99308	12.9
61.98833	100.0
62.98532	0.4
63.11640	0.2
63.99257	0.4
71.01387	3.4
72.99335	0.4
73.02946	1.0
75.00877	0.7
76.31610	0.2
78.95911	0.4
83.01407	0.5
83.05051	0.2
85.02954	1.7
87.00900	1.3
87.04533	0.3
88.00406	0.9
88.98817	91.4
89.02454	5.5
89.02987	0.4
89.99143	1.0
93.03471	0.2
95.01367	0.3
96.96056	0.2
97.02938	0.3
99.00913	0.6
101.02473	2.5
106.15836	0.2
107.00697	0.2
107.77141	0.2
113.02465	1.2
119.03503	0.3
120.99728	0.3
121.03002	0.4
123.00906	0.3
125.02441	0.8
131.03529	0.5
135.04556	0.3
137.02448	0.5
139.00410	0.2
143.03450	0.2
149.04538	0.3
150.06966	0.3
151.00400	0.3
151.07599	0.2
152.39595	0.2
153.01900	0.2
161.04587	0.4
163.07637	0.5
164.58151	0.2
165.05539	0.3
168.00633	0.6
169.01404	0.7
171.10335	0.2
171.11874	0.2
179.07133	0.3
181.08624	0.8
182.02094	0.3
183.03030	1.0
192.07199	0.2
202.10323	0.3
207.13794	0.2
209.11714	0.7
227.12956	0.4
241.17981	0.7
242.18178	0.3
249.06065	0.3
256.20166	0.2
267.07663	0.2
271.04437	0.3
345.08530	0.4
345.20810	0.9
402.25272	0.2
403.26575	0.5
452.28354	0.2
463.32700	3.1
464.32761	0.4
505.33450	0.3
532.29309	0.3
533.27155	0.3
534.33020	0.2
535.34271	1.3
536.33612	0.3
595.26813	2.0
595.36420	2.2
596.20929	0.3
596.36932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03452	2.2
58.00590	2.1
59.01379	100.0
60.01697	1.2
61.98836	9.4
69.03474	0.9
69.56752	5.1
69.57171	2.1
71.01387	41.4
72.99311	3.1
73.02948	10.4
76.62927	0.8
81.03457	1.1
83.01387	4.3
85.02966	9.1
87.00879	4.2
89.02457	37.3
89.04027	0.8
95.01407	2.0
96.96024	1.6
97.02959	1.2
97.93066	0.9
99.00946	2.1
99.04543	2.5
101.02459	25.9
102.65841	0.8
102.98634	1.3
107.01408	1.2
108.02213	1.5
109.02970	1.7
109.19547	0.8
111.00932	1.9
113.02470	13.3
115.00329	1.5
119.03519	10.3
119.04973	1.2
120.11282	0.9
121.02983	13.1
123.00892	1.1
125.02468	5.9
127.04076	1.5
129.01944	1.1
131.03499	11.6
135.04506	1.0
143.03505	3.3
145.05147	4.8
148.01599	1.0
149.04582	12.1
151.00409	4.8
161.04520	4.2
163.04018	1.6
163.06143	12.2
165.05548	1.2
165.12846	1.6
169.01459	3.4
173.02380	0.9
175.02484	2.1
175.03957	0.8
178.99892	2.1
179.05669	4.0
191.03789	1.2
191.05573	7.1
199.12218	1.1
201.01736	1.0
203.03299	1.2
205.07211	2.0
207.13885	2.2
209.04572	11.9
209.11859	8.1
222.62263	0.8
225.14938	4.9
226.02652	1.0
227.12910	18.1
228.13223	1.4
228.42830	1.0
243.02939	6.3
244.03519	1.1
245.00908	1.0
249.03917	1.9
251.12851	1.3
255.02968	14.0
269.13956	4.5
270.14325	0.9
271.02429	35.7
271.05267	1.8
272.02844	3.6
273.00366	1.2
274.01120	1.0
275.01987	1.2
298.98248	1.8
300.02750	67.6
300.99826	3.8
301.03326	11.0
307.10425	2.6
325.07990	0.9
325.11331	4.4
367.12476	1.6
371.07681	1.1
373.13080	1.3
397.05453	3.2
415.06891	1.7
415.19592	7.7
433.07565	1.0
535.27710	38.4
536.27808	3.8
540.23737	0.9
557.22406	1.1
577.12146	2.5
577.24939	3.5
595.13104	46.0
595.26074	96.4
596.13092	7.8
596.26355	16.5
620.36920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2892
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.32722	0.4
56.68317	0.4
59.01376	1.5
61.98829	5.7
67.28505	0.5
68.92181	0.4
70.07767	0.5
70.52914	2.0
71.74902	0.4
78.57468	0.4
78.95910	61.3
80.91697	2.5
83.05026	0.7
96.96976	11.4
109.28658	0.5
126.84071	0.4
150.98003	0.9
152.99605	87.1
153.99907	1.3
171.00661	2.5
209.11839	5.3
211.13522	0.5
223.00137	9.4
227.12868	0.5
231.79898	0.4
241.01173	23.4
242.01578	1.2
259.02350	0.9
279.23282	59.7
280.23611	6.6
311.22238	1.9
315.04880	12.8
333.05823	1.1
358.35477	0.4
370.90988	0.5
595.28906	100.0
596.29309	19.4
596.36584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90272	0.7
55.01878	0.9
57.03444	2.2
57.05284	0.7
59.01379	77.5
60.01709	0.9
61.98843	4.5
71.01390	7.8
72.99313	1.4
73.02956	9.3
83.01407	2.6
84.95129	0.8
85.02957	4.7
87.00896	1.0
88.43717	0.7
89.02450	3.6
97.02921	0.8
99.00872	1.5
99.04539	1.4
101.02454	15.1
102.02769	0.8
109.06584	0.9
113.02444	4.5
119.05018	5.7
125.02476	1.3
131.92407	0.7
135.04503	0.9
137.02332	0.8
163.04103	1.0
165.12862	1.5
169.79947	0.8
175.02545	1.0
181.05150	1.2
199.00760	1.7
207.13916	7.6
209.11839	6.2
225.14972	13.6
226.15424	1.3
227.12886	51.1
228.13243	5.8
230.11137	0.8
233.11703	1.0
251.12880	1.9
269.13934	16.3
287.14996	100.0
288.15259	7.7
293.13959	1.3
300.99936	1.6
311.14914	1.6
327.82611	0.7
329.16022	5.9
353.01999	1.0
359.17258	6.7
360.17300	1.5
389.18192	24.4
390.18628	3.5
415.26981	3.5
431.19232	1.5
433.27997	2.4
449.20267	72.6
450.20651	12.9
521.22278	5.6
595.13293	4.4
595.25775	14.1
595.33441	14.8
596.26233	3.1
596.33588	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	595.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
58.00586	0.6
59.01383	59.2
60.01696	0.6
61.98830	2.2
69.03471	0.4
69.74348	2.0
69.74773	1.4
71.01389	16.5
72.99300	0.9
73.02955	8.0
78.62994	0.4
78.75847	0.4
81.03449	0.6
83.01409	3.3
85.02957	4.6
87.00873	2.2
89.02463	8.9
95.01411	1.0
97.02991	1.1
99.00917	1.2
99.04551	1.2
101.02467	9.6
109.02994	1.3
111.00922	1.0
113.02456	6.5
115.00390	0.9
119.03516	4.1
119.05028	0.5
120.48112	0.4
124.57125	0.5
125.02459	2.4
127.04060	0.6
131.03543	0.6
139.00336	0.4
143.03554	3.0
145.03061	0.5
145.05119	2.8
161.04568	2.1
163.06136	9.6
165.12897	0.7
167.03557	0.7
175.02502	1.8
179.05635	2.1
186.51093	0.4
192.00661	6.1
205.07162	0.9
207.03015	3.3
207.13895	1.8
209.11867	3.8
225.15010	4.0
227.10651	0.9
227.12904	17.5
228.13242	1.9
251.12839	0.5
269.13950	1.5
271.02496	1.0
287.15015	0.8
300.02744	1.5
307.10400	1.8
325.11465	3.4
326.12216	0.4
367.12582	1.1
373.13135	0.6
415.46213	0.5
577.24841	3.0
595.26129	100.0
596.26440	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	595.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03018	0.4
55.01871	0.7
57.03455	0.7
59.01379	47.5
60.01696	0.9
61.83074	0.3
61.98816	0.8
69.03455	1.1
69.54443	2.4
69.54862	1.3
71.01385	13.1
72.99301	0.5
73.02955	5.8
81.03456	0.7
82.25216	0.4
83.01395	2.8
83.05026	0.5
85.02956	4.7
87.00874	2.2
89.02452	6.8
95.01403	1.1
96.83580	0.4
97.02952	1.1
97.06578	0.5
99.00893	1.5
99.04523	1.6
101.02450	9.5
107.62775	0.4
109.02984	2.0
111.04551	0.4
113.02465	6.0
115.17281	0.4
119.03535	2.4
125.02454	3.4
127.04018	2.3
130.01837	0.4
130.76657	0.4
131.03526	0.6
143.03513	4.1
145.05067	3.1
161.04605	2.5
163.06137	16.3
164.06506	0.5
165.12935	0.9
165.82817	0.4
167.10764	0.7
179.05640	1.7
180.52989	0.4
187.06136	0.8
205.07187	1.2
207.13928	1.3
208.22198	0.5
209.11868	3.8
224.12997	0.4
225.14955	3.6
226.15210	0.4
227.12886	16.3
228.13200	1.6
229.07167	1.3
235.43243	0.4
235.87117	0.4
251.12886	0.5
269.13940	1.5
287.14948	1.3
300.99689	0.6
307.10291	2.3
323.22195	0.4
325.11377	4.6
367.12192	2.2
395.64957	0.4
433.14908	0.9
503.03778	0.4
577.24731	2.8
578.24744	0.5
595.26080	100.0
596.26404	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	595.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.5
57.03461	1.2
58.00591	0.8
59.01379	68.1
60.01720	0.7
61.98829	0.7
69.03462	0.7
69.35822	3.4
69.36243	1.3
71.01386	18.2
72.99333	1.1
73.02953	12.7
74.33239	0.3
75.00877	0.4
78.22102	0.3
80.82134	0.4
81.03505	0.6
83.01399	4.0
85.02955	5.2
87.00887	1.3
89.02454	13.5
95.01414	1.2
97.02995	1.0
97.06626	0.4
98.20571	0.8
99.00883	0.9
99.04556	1.0
99.15686	0.4
101.02456	15.0
108.02172	0.4
109.02971	1.8
109.06647	0.6
111.00914	0.4
111.04585	0.4
113.02470	9.5
119.03516	5.9
125.02481	3.0
127.03991	0.6
131.03516	1.1
143.03545	3.2
145.05083	1.8
157.52460	0.3
158.07791	0.4
161.04573	3.1
163.06143	6.9
165.12801	0.7
179.05640	2.7
189.12799	0.6
205.07188	1.5
207.13901	1.5
209.11859	3.4
225.14967	3.8
227.12897	18.2
228.13249	1.2
233.11688	0.9
237.41150	0.4
251.12845	1.3
269.13940	2.1
287.14902	2.6
307.10345	1.0
325.11404	6.8
326.11768	0.9
367.12415	2.8
449.20248	0.5
512.10022	0.4
535.27472	1.5
536.28516	0.5
577.25006	3.9
578.25665	0.8
595.26093	100.0
596.26434	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	595.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04182	0.8
57.03445	1.4
59.01380	59.7
60.01709	1.2
61.98833	100.0
63.02406	1.2
63.99262	1.2
65.00301	1.2
65.92953	0.8
69.03448	1.0
69.32484	3.9
69.32912	5.4
71.01390	12.5
72.01696	0.8
72.99316	2.2
73.02957	11.9
75.00885	1.0
83.01394	14.2
85.02966	2.3
87.00918	1.6
88.98813	6.9
89.02435	2.9
93.03473	3.1
95.05060	0.8
96.96027	1.7
97.02908	0.9
97.06596	1.9
98.19907	2.0
99.04507	1.6
101.02452	9.2
107.01388	2.3
108.02188	0.9
109.02982	1.3
109.06628	1.0
113.02456	3.9
116.92879	1.4
117.03482	13.2
119.05041	38.9
120.05387	1.2
121.02956	2.8
123.00845	1.1
125.02477	3.7
131.05014	0.9
133.06514	1.0
143.04990	1.1
145.02975	31.1
146.03323	3.7
150.03220	1.2
151.00377	5.2
152.00826	1.2
153.01930	1.0
158.86234	0.8
159.04503	1.7
161.04649	1.4
161.06020	1.6
163.00452	1.6
163.04025	76.1
164.01070	1.2
164.04361	3.3
165.05499	1.4
165.12820	1.3
167.10767	2.8
168.00674	1.4
169.01419	3.3
183.02994	5.3
185.06052	2.2
187.04024	4.3
188.04265	1.1
189.04453	1.0
192.00571	1.0
205.04982	2.0
207.02951	1.1
207.13843	5.2
209.11790	6.5
210.12190	1.0
211.02374	1.0
211.04106	0.9
212.04411	1.1
213.05611	1.6
225.14967	9.3
227.03558	4.2
227.06947	1.0
227.12903	31.8
227.16362	1.6
228.03801	2.8
228.13165	1.8
229.05217	5.7
230.05408	5.7
231.05612	3.3
233.11841	2.2
235.06168	1.3
239.03371	0.9
251.12798	3.0
255.03006	3.5
256.03424	4.2
257.04163	4.2
258.04855	4.0
259.05084	1.9
269.13925	13.2
270.14188	1.2
284.03235	3.1
284.99225	1.1
285.04019	46.5
286.04355	48.3
287.01254	1.4
287.04587	38.9
287.15002	53.1
288.04825	3.0
288.15466	3.8
293.13641	1.1
308.08597	0.9
311.15024	2.0
329.16068	3.9
349.69312	0.9
359.17081	3.0
371.16974	3.3
376.65152	1.0
389.18210	10.2
403.23236	1.8
411.13092	1.1
431.09616	1.1
431.19226	20.2
431.25104	1.0
432.19598	2.7
449.20270	49.7
450.20535	6.3
533.16571	3.6
535.30042	1.0
595.13452	9.0
595.23914	22.9
596.23572	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	595.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57896	0.5
59.01380	20.7
60.01719	0.5
60.57513	0.5
60.99310	0.6
61.30664	0.4
61.98829	43.2
63.02396	1.0
65.00317	0.5
69.03460	0.5
69.52700	3.8
71.01388	5.1
72.99310	0.8
73.02947	4.6
75.00860	0.9
83.01395	7.4
85.02968	1.0
87.00897	0.9
88.98795	3.1
89.02438	1.4
93.03467	1.9
96.96033	0.8
97.06602	0.7
98.20610	0.6
101.02441	4.0
107.01430	2.3
109.02960	1.2
113.02460	2.0
116.92882	1.1
117.03446	2.6
118.03810	0.7
119.05039	91.8
120.05376	4.5
121.02967	0.6
124.01695	0.5
125.02442	1.9
134.03714	0.5
135.00882	1.0
135.04504	1.9
137.02509	0.7
142.02864	0.5
143.08255	0.7
145.02959	9.2
146.03294	3.9
147.03500	0.7
147.04539	1.0
151.00389	3.6
152.00850	1.1
159.04524	0.6
161.02440	0.6
161.04634	0.6
161.06065	0.7
163.00366	2.1
163.04024	58.5
164.00764	0.8
164.04305	4.5
165.01971	0.7
165.05675	0.7
167.10756	1.2
168.00758	0.5
169.01459	1.2
169.06599	0.5
171.04463	1.2
172.04878	0.5
178.99879	0.5
179.03427	0.6
181.05043	2.9
183.02969	0.5
185.06097	1.3
186.06415	1.0
187.04031	1.5
188.04340	1.1
192.00662	4.4
195.06630	1.8
199.03989	0.7
207.03024	3.8
207.13942	1.4
209.11848	1.6
211.03951	1.5
212.04439	1.6
213.05450	0.9
214.05789	0.6
225.07697	1.1
225.14957	2.9
227.03500	18.2
227.12888	10.5
228.03828	13.4
228.13025	1.1
229.04175	7.7
230.05484	3.5
230.54172	0.6
231.05536	2.4
237.11377	1.0
239.03473	1.1
242.05208	0.7
251.12880	0.7
255.02977	28.2
256.03339	27.2
257.03574	19.3
258.04584	4.2
259.05066	2.3
269.13992	2.6
284.03256	26.6
285.03830	53.2
286.04150	51.3
287.04581	30.6
287.14920	4.9
288.04932	1.3
307.08170	2.4
308.08783	1.2
309.08792	0.9
343.10278	0.6
367.10199	0.6
371.17093	0.8
373.15305	0.7
431.19229	4.9
432.19592	0.6
433.00882	0.5
448.09329	0.9
449.10001	1.6
519.32098	0.5
533.26404	0.4
535.31573	0.8
577.22754	2.6
595.13635	100.0
595.23932	43.4
596.13910	14.4
596.24371	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	595.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70077	0.7
57.03455	1.6
59.01381	59.1
60.99313	1.5
61.13951	0.8
61.98832	100.0
63.02402	1.0
69.36206	7.6
69.36630	2.3
69.52073	0.7
71.01390	11.2
72.21374	0.8
72.99329	1.9
73.02956	11.9
75.00898	1.2
83.01392	15.7
84.02200	0.8
85.02970	3.5
87.00912	0.8
88.98826	6.8
89.02473	4.0
93.03481	2.8
95.01427	0.8
96.96034	1.9
97.03026	0.8
97.06610	2.0
99.00922	1.0
99.04520	2.3
101.02457	11.4
102.02812	0.7
107.01408	2.1
108.01700	0.8
109.02979	1.5
113.02458	2.9
116.92868	2.2
117.03480	10.5
118.03858	0.9
118.34052	0.7
119.05044	46.3
120.05386	1.8
121.02972	3.2
123.00919	1.8
124.01668	1.4
125.02457	4.7
131.03593	1.1
131.05002	0.8
133.06624	1.4
135.04477	1.0
143.03528	1.3
143.05003	0.9
145.02969	31.4
146.03323	3.3
149.09712	1.2
150.03247	0.9
151.00398	4.4
152.00891	1.1
159.04547	1.4
161.02567	0.9
161.04613	1.8
161.06116	2.2
161.46385	1.0
163.00352	1.8
163.04025	73.7
164.01009	0.8
164.04340	4.3
165.05539	0.9
167.10814	3.5
168.00636	1.7
169.01427	4.3
175.81383	0.8
177.05548	0.9
179.05669	1.0
183.03044	5.1
183.04436	1.2
185.05994	2.0
187.04004	4.2
187.06679	1.0
188.04399	2.2
189.05695	0.9
192.00728	1.5
199.04112	1.0
205.05106	1.6
207.03117	1.0
207.13889	6.6
209.11836	6.1
211.04008	1.1
212.04453	0.9
213.05545	1.6
214.05910	1.6
223.13310	1.0
225.14990	9.6
227.03517	3.9
227.07124	0.9
227.12898	36.0
227.16356	1.5
228.03917	2.2
228.13280	3.0
229.05190	8.7
230.05368	6.3
231.05629	2.7
233.11797	1.9
240.03880	1.1
241.04601	1.1
251.12944	1.5
255.02930	4.0
256.03430	4.1
257.04391	4.8
258.04831	4.2
259.05032	2.1
267.02954	0.9
269.13937	15.5
271.04486	1.0
284.03268	4.3
285.04022	54.9
286.04358	57.0
287.01312	1.0
287.04599	43.1
287.14987	59.6
288.04758	2.3
288.15326	5.7
293.14059	1.2
307.08063	1.4
308.08646	1.2
311.14899	1.8
329.16165	3.9
345.12076	0.8
353.16147	0.9
356.01126	0.8
359.17099	2.2
367.10437	1.0
371.17276	3.3
389.18088	10.3
390.18402	1.9
403.23557	2.2
431.19257	22.0
432.19638	4.0
448.09268	1.2
449.10016	2.1
449.20270	55.1
450.20459	5.8
533.16718	1.9
535.30170	0.9
540.53265	0.9
595.13654	16.9
595.24139	23.6
596.13843	1.7
596.24292	4.8
622.47687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1673
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
59.01361	2.5
60.91700	0.6
61.98819	1.5
63.12689	0.6
65.00262	0.6
68.99815	0.9
69.03421	1.1
71.01382	3.7
71.69273	0.8
72.99297	1.2
73.02953	0.9
78.95886	1.6
79.01873	1.1
81.03439	1.8
81.08784	0.7
83.01397	3.5
85.02966	1.3
89.02419	1.5
93.03462	7.4
95.01369	2.7
95.05013	1.0
96.95529	0.6
96.96021	7.2
96.96964	2.0
97.02950	3.8
101.02438	1.3
105.03464	0.9
107.01417	6.6
107.05003	2.3
107.80000	0.6
108.02177	1.1
109.02956	3.4
111.00909	0.6
111.04492	1.9
113.02450	1.5
117.03461	1.0
119.05042	41.3
120.05359	2.5
121.02971	4.0
123.00910	3.0
123.04549	3.6
125.02457	9.7
131.03470	1.1
133.02997	1.0
133.06523	0.6
135.00874	0.7
135.04567	3.2
136.01605	0.9
137.02449	6.9
137.06026	1.1
137.12050	0.6
139.04027	7.0
143.05035	4.7
145.02983	6.3
147.04514	2.8
149.02452	5.8
150.03200	1.7
151.00412	6.0
151.04004	2.2
155.03491	1.7
159.04495	1.4
161.02534	1.3
161.06075	2.9
163.00343	3.5
163.04013	4.2
164.01106	1.2
165.01942	6.3
165.05502	1.0
167.03513	11.8
169.01418	1.8
173.02319	1.0
173.05933	0.7
174.03191	0.8
175.04024	1.5
175.07655	0.7
176.04445	0.8
177.01923	5.5
177.05573	1.1
178.02470	0.8
179.03531	4.3
181.01335	0.7
185.06070	0.8
187.04034	6.1
188.04398	0.8
188.73865	0.6
189.01906	1.8
189.05511	1.2
190.02750	0.7
190.99896	0.6
191.03539	5.0
191.07156	0.6
192.04205	1.0
193.01437	11.4
193.04900	1.1
193.97633	0.7
194.01836	0.7
197.04536	4.2
197.06023	1.0
199.07600	2.6
201.01981	0.7
203.03514	1.2
203.07156	1.1
204.22939	0.6
205.01422	8.6
205.04987	1.0
206.02109	1.2
207.03001	4.1
209.04568	4.5
217.01369	1.1
218.02240	0.7
219.02928	4.2
221.04578	1.5
223.02415	1.9
225.05438	0.7
227.07082	2.9
229.01526	0.9
231.02948	1.3
233.04550	2.0
235.00174	1.1
235.02477	16.0
236.02747	0.8
239.05568	2.6
240.08038	0.8
241.08673	1.3
243.06638	1.1
245.00735	1.0
245.08214	1.2
246.72217	0.6
247.02431	2.0
249.04019	3.1
261.03979	2.5
265.03455	5.6
265.08578	0.8
267.06628	0.9
269.07986	1.0
270.98843	3.6
271.06058	5.0
274.01202	1.1
275.01813	2.1
283.06024	2.0
283.09518	1.2
284.06705	0.9
285.07401	1.1
290.07547	0.7
291.05170	0.8
295.05338	0.6
297.07736	1.3
298.98322	4.6
299.99103	13.3
300.99814	5.5
302.00159	1.0
313.03668	1.3
313.07175	17.3
314.07578	1.9
325.07108	7.0
326.07794	0.9
327.08633	1.7
337.07123	1.3
339.08884	1.3
343.08142	6.6
344.08475	1.7
353.06543	1.6
355.08224	83.0
356.08594	12.9
367.08313	4.0
371.07401	0.9
385.09286	69.9
386.09613	8.3
397.05038	0.7
397.09674	4.3
398.09735	0.8
415.05737	1.4
415.10495	19.3
416.10870	3.4
427.10291	1.4
433.04156	1.5
439.10257	1.6
445.11319	1.4
457.11456	9.3
458.11743	1.6
463.05215	0.8
469.11191	0.8
475.12463	38.2
476.12762	5.9
480.05310	1.7
487.12451	5.2
488.12692	1.1
500.14270	0.7
505.13470	8.5
506.13889	1.8
535.23926	1.6
559.14703	1.0
577.15955	5.1
595.09296	7.4
595.16846	100.0
596.10107	1.0
596.17126	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	595.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01386	3.4
61.98817	1.7
65.00327	0.8
69.73001	2.2
69.73428	1.7
71.01380	2.4
73.02952	0.8
78.95915	1.1
79.01912	0.8
83.01381	1.2
83.19187	0.5
85.02962	0.9
89.02446	2.7
93.03468	3.1
95.01409	1.0
95.05052	0.6
96.96022	5.6
96.96626	0.5
96.96955	1.3
97.02969	2.0
99.00848	0.7
101.02448	1.3
107.01423	1.8
108.02190	0.5
109.02954	1.8
111.00903	0.6
111.04528	0.6
113.02419	0.8
116.92897	0.7
119.05037	11.8
121.02982	1.8
123.00907	1.5
123.04570	1.2
125.02473	5.9
126.02781	0.8
131.03534	1.2
133.02954	0.9
133.06615	0.5
135.04507	1.4
137.02493	2.8
139.04021	2.0
143.05067	0.8
145.02957	2.9
147.04552	1.1
149.02490	1.3
149.04597	0.8
150.03287	0.7
151.00407	1.2
151.04051	1.2
163.00383	1.7
163.03993	1.2
164.01176	1.0
165.01965	2.0
167.03523	3.4
169.01427	2.2
173.06248	0.6
175.03937	1.2
177.01953	4.1
178.02408	0.8
179.03610	0.9
183.36580	0.5
187.04034	2.0
190.02722	0.7
191.03537	1.9
191.05582	2.7
193.01466	2.7
197.04549	1.5
199.07707	1.5
203.03416	1.1
203.07133	0.5
205.01445	2.3
205.04893	0.6
207.02969	1.5
209.04556	0.7
216.00510	0.7
217.01469	0.9
218.02069	0.7
219.03024	1.4
227.07173	0.7
229.01520	0.7
231.03073	0.7
235.02496	4.3
239.05588	0.8
242.99365	1.6
244.00075	1.5
245.00902	1.5
247.02478	0.7
249.03999	2.1
257.00922	1.0
265.03442	1.5
270.98822	25.5
271.06125	1.5
271.99271	2.0
273.00391	1.3
274.01187	1.0
275.01996	1.9
283.05972	0.8
283.99738	0.7
289.07169	0.9
290.07352	0.8
298.00992	0.8
298.98337	34.8
299.99100	100.0
300.99689	17.1
302.00311	0.7
312.99860	1.7
313.07150	5.6
314.00375	0.6
325.07159	2.5
327.01648	0.7
327.08914	0.6
328.99442	0.9
343.08218	2.1
345.10196	0.8
355.08249	25.8
356.08682	2.5
367.08160	1.4
371.07718	1.3
385.09296	20.5
386.09604	1.6
397.05551	2.4
397.09869	1.2
409.08273	0.7
415.10901	3.5
417.13907	0.6
427.09924	1.0
432.03067	3.7
433.04095	17.3
433.14261	0.6
434.04398	1.6
457.11404	2.0
462.04337	1.7
463.05252	8.1
464.05460	0.8
475.12454	11.8
476.12570	0.8
479.11789	0.7
480.05460	1.7
487.12323	1.7
505.13174	2.8
535.23975	2.4
551.14166	0.8
577.13702	1.2
595.09332	88.2
595.17108	21.0
596.09717	13.1
596.17480	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	595.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01386	3.4
61.98817	1.7
65.00327	0.8
69.73001	2.2
69.73428	1.7
71.01380	2.4
73.02952	0.8
78.95915	1.1
79.01912	0.8
83.01381	1.2
83.19187	0.5
85.02962	0.9
89.02446	2.7
93.03468	3.1
95.01409	1.0
95.05052	0.6
96.96022	5.6
96.96626	0.5
96.96955	1.3
97.02969	2.0
99.00848	0.7
101.02448	1.3
107.01423	1.8
108.02190	0.5
109.02954	1.8
111.00903	0.6
111.04528	0.6
113.02419	0.8
116.92897	0.7
119.05037	11.8
121.02982	1.8
123.00907	1.5
123.04570	1.2
125.02473	5.9
126.02781	0.8
131.03534	1.2
133.02954	0.9
133.06615	0.5
135.04507	1.4
137.02493	2.8
139.04021	2.0
143.05067	0.8
145.02957	2.9
147.04552	1.1
149.02490	1.3
149.04597	0.8
150.03287	0.7
151.00407	1.2
151.04051	1.2
163.00383	1.7
163.03993	1.2
164.01176	1.0
165.01965	2.0
167.03523	3.4
169.01427	2.2
173.06248	0.6
175.03937	1.2
177.01953	4.1
178.02408	0.8
179.03610	0.9
183.36580	0.5
187.04034	2.0
190.02722	0.7
191.03537	1.9
191.05582	2.7
193.01466	2.7
197.04549	1.5
199.07707	1.5
203.03416	1.1
203.07133	0.5
205.01445	2.3
205.04893	0.6
207.02969	1.5
209.04556	0.7
216.00510	0.7
217.01469	0.9
218.02069	0.7
219.03024	1.4
227.07173	0.7
229.01520	0.7
231.03073	0.7
235.02496	4.3
239.05588	0.8
242.99365	1.6
244.00075	1.5
245.00902	1.5
247.02478	0.7
249.03999	2.1
257.00922	1.0
265.03442	1.5
270.98822	25.5
271.06125	1.5
271.99271	2.0
273.00391	1.3
274.01187	1.0
275.01996	1.9
283.05972	0.8
283.99738	0.7
289.07169	0.9
290.07352	0.8
298.00992	0.8
298.98337	34.8
299.99100	100.0
300.99689	17.1
302.00311	0.7
312.99860	1.7
313.07150	5.6
314.00375	0.6
325.07159	2.5
327.01648	0.7
327.08914	0.6
328.99442	0.9
343.08218	2.1
345.10196	0.8
355.08249	25.8
356.08682	2.5
367.08160	1.4
371.07718	1.3
385.09296	20.5
386.09604	1.6
397.05551	2.4
397.09869	1.2
409.08273	0.7
415.10901	3.5
417.13907	0.6
427.09924	1.0
432.03067	3.7
433.04095	17.3
433.14261	0.6
434.04398	1.6
457.11404	2.0
462.04337	1.7
463.05252	8.1
464.05460	0.8
475.12454	11.8
476.12570	0.8
479.11789	0.7
480.05460	1.7
487.12323	1.7
505.13174	2.8
535.23975	2.4
551.14166	0.8
577.13702	1.2
595.09332	88.2
595.17108	21.0
596.09717	13.1
596.17480	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	594.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21454	0.1
50.79267	0.1
51.80610	0.1
54.04675	0.1
55.01877	0.2
57.03444	0.3
59.01378	3.6
60.01706	0.1
60.99310	0.4
61.98830	100.0
62.98549	0.2
63.07181	0.1
68.73359	0.1
71.01390	3.3
71.71436	0.1
72.01717	0.1
72.99332	0.3
73.02948	1.2
75.00894	0.2
78.95917	0.5
80.76398	0.1
83.01406	0.6
85.02956	1.7
85.06654	0.1
87.00896	0.4
88.98817	2.1
88.99328	0.2
89.02443	1.2
93.03493	0.1
95.01406	0.3
96.96043	0.1
97.02978	0.1
99.00893	0.6
99.04510	0.1
101.02454	2.5
101.03072	0.2
102.02802	0.2
109.02957	0.1
111.00916	0.3
113.02448	1.5
119.03527	0.2
120.95829	0.1
121.02929	0.1
123.00917	0.1
125.02487	0.4
129.01959	0.1
131.03523	0.3
135.04486	0.2
137.02470	0.3
143.03529	0.1
146.06242	0.1
149.04533	0.2
151.00443	0.1
152.99626	0.2
153.02002	0.2
159.03047	0.3
161.04591	0.5
165.05765	0.1
166.02800	0.1
169.01476	0.2
177.01956	0.2
181.08757	0.1
183.03035	0.2
191.16324	0.1
209.11815	0.5
210.12270	0.1
227.03427	0.1
227.12816	0.2
255.02985	0.2
256.03427	0.2
271.04605	0.1
285.03970	0.4
286.04358	0.3
400.24976	0.1
401.25616	0.2
402.25720	0.7
403.27054	0.4
444.86856	0.1
460.06879	0.1
462.31775	0.3
463.32745	6.3
516.32355	0.1
533.33728	0.3
534.22656	0.1
534.33630	1.6
535.33661	0.2
594.13635	0.2
594.28424	0.5
595.21442	0.2
595.27240	0.3
595.37140	3.3
611.88690	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	594.277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24990	0.2
55.01886	0.6
57.03464	1.0
58.00600	0.5
59.01385	7.9
60.01712	0.2
61.98834	100.0
69.03458	0.3
71.01388	10.2
71.72723	0.3
72.01762	0.2
72.99332	0.5
73.02953	3.3
75.00904	0.4
78.95908	0.9
81.03475	0.2
83.01392	1.6
83.05051	0.3
85.02963	4.7
87.00907	0.5
87.04542	0.4
88.98833	0.6
89.02464	2.6
95.01416	0.6
95.05044	0.2
97.02975	0.4
99.00899	1.6
101.02457	7.8
102.02781	0.3
111.00871	0.9
111.08176	0.4
113.02460	3.4
113.03219	0.2
114.02837	0.2
119.03561	0.5
123.08237	0.2
125.02486	0.7
129.02020	0.3
131.03543	0.7
135.08156	0.2
141.01959	0.2
143.03558	0.6
149.04614	0.4
152.99680	0.4
153.09253	0.5
159.03033	0.4
161.04564	1.7
162.04936	0.2
163.11395	0.2
165.12872	4.9
167.14433	0.6
179.10706	0.2
180.11073	0.2
181.12294	0.2
183.13924	16.5
187.11374	0.2
195.13924	0.2
197.15504	3.2
205.12466	0.5
207.13974	0.7
209.11882	1.6
211.13416	0.3
225.14964	1.5
227.12906	13.8
241.14435	0.3
251.12985	0.6
269.14008	1.7
299.15033	1.5
299.26044	0.3
301.27722	0.4
329.16058	5.3
371.28073	1.1
372.28378	2.7
373.28519	0.2
389.18219	7.9
402.25217	0.3
403.27136	0.5
432.32196	0.4
463.32779	15.5
478.87140	0.2
533.33765	0.5
534.33740	4.0
535.32947	0.7
563.04547	0.2
594.27991	0.6
594.37469	1.9
595.30176	3.0
595.38702	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	594.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92111	0.1
55.01865	0.1
59.01382	2.6
60.01716	0.2
61.98833	100.0
62.98540	0.4
63.30814	0.1
63.99250	0.3
66.37453	0.1
69.81046	0.3
69.81475	0.5
71.01392	2.0
72.01739	0.1
72.99316	0.2
73.02946	0.6
75.00928	0.1
78.95915	0.6
83.01407	0.2
85.02965	0.7
87.00895	0.1
88.98830	0.8
89.02453	0.7
95.01436	0.3
98.19884	0.1
99.00909	0.2
101.02457	1.6
101.03073	0.1
102.02823	0.2
109.03021	0.1
111.94640	0.1
113.02456	0.7
114.02833	0.1
119.03534	0.3
125.02465	0.4
131.03564	0.3
132.03894	0.1
135.04515	0.1
137.02455	0.1
143.03503	0.1
151.04103	0.1
152.99603	0.1
159.03008	0.2
161.04597	0.6
162.92827	0.1
163.04070	0.3
167.03578	0.1
168.00710	0.1
172.87697	0.1
177.01961	0.1
178.06435	0.3
179.05710	0.2
193.08710	0.2
197.11894	0.1
209.08284	0.1
209.11919	0.2
227.12935	0.2
241.07047	0.1
243.12520	0.3
285.04163	0.2
372.28482	0.4
400.24442	0.2
401.24945	0.3
402.25226	0.7
403.27069	0.3
462.31573	0.2
463.32706	0.8
524.34924	0.1
533.33844	0.2
534.34631	1.7
535.32672	0.2
539.69495	0.1
594.13324	0.1
594.29608	0.6
595.23212	0.2
595.38275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.98836	5.2
71.01383	0.6
76.44700	0.3
78.95904	0.7
83.05013	0.6
97.06567	0.9
111.08166	7.9
153.09229	0.5
153.12859	0.6
159.91490	0.4
163.11409	0.6
165.12852	9.7
166.13182	0.6
166.27856	0.4
169.12390	2.3
171.10318	0.5
175.73627	0.4
177.87827	0.4
179.10822	0.4
181.12404	0.6
182.63356	0.4
183.13914	100.0
184.14246	6.9
197.11836	22.9
198.12184	1.4
199.13443	1.3
207.10316	0.5
209.11848	5.1
209.15329	0.5
210.12047	0.6
211.13411	3.4
225.11253	0.8
227.12883	8.3
228.13272	0.5
263.20074	0.8
273.18521	0.7
283.15567	1.1
291.19687	3.6
293.20874	0.6
301.16595	6.2
302.16800	0.7
309.20694	19.6
310.21143	1.8
327.21591	0.5
481.27777	0.4
593.36920	26.6
594.37347	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	593.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
57.03445	2.8
57.87826	0.4
58.00589	1.7
59.01380	54.2
60.01723	1.1
60.67677	0.6
61.98832	100.0
70.53826	1.7
70.54164	0.4
71.01386	39.6
72.01723	1.1
72.02086	0.5
72.99319	2.1
73.02951	9.4
75.00899	1.0
78.95902	3.5
83.01395	5.2
83.05048	0.7
85.02958	17.3
87.00884	4.5
87.04545	1.3
88.00398	0.9
88.98827	1.7
89.02454	16.7
90.02826	0.9
95.01409	2.1
96.96993	0.7
97.02969	1.3
98.20525	0.6
98.91096	0.5
99.00904	3.6
101.02456	31.3
102.02829	0.7
108.02144	0.5
113.02460	17.0
114.02798	0.6
119.03513	6.4
121.02971	1.8
125.02488	2.0
129.01945	0.6
131.03519	2.0
141.09276	0.7
143.03546	2.7
149.04579	1.3
152.99649	2.2
153.01944	0.8
159.03029	2.8
161.03256	0.9
161.04576	15.3
161.05855	1.0
162.04974	0.9
163.11305	0.7
167.14395	0.6
171.13930	1.1
177.02031	0.5
179.05600	3.9
181.12352	0.7
183.13928	1.0
185.11935	0.7
187.60857	0.7
191.03493	1.5
205.03580	0.7
209.11916	2.1
211.13483	2.2
255.03038	1.4
265.23343	0.5
284.03177	1.2
285.04117	1.9
313.23730	0.6
325.27725	0.7
353.27008	1.1
363.12234	1.0
371.28043	27.9
372.28406	3.6
401.25235	5.7
402.26129	0.9
461.31372	4.4
462.31525	0.9
515.32373	1.4
519.46460	0.6
533.33398	91.7
534.33704	16.7
547.30756	0.5
575.26300	0.8
593.13196	1.3
593.27393	2.0
593.36017	1.7
594.27386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03445	2.7
59.01379	100.0
60.01716	0.9
60.99304	2.1
61.98832	77.2
69.03450	1.9
71.01385	24.4
72.99312	1.6
73.02948	13.6
75.00898	1.3
83.01395	6.6
83.27328	0.7
85.02962	10.3
87.00880	2.9
88.98818	15.8
89.02461	10.6
93.03485	1.0
95.01391	2.2
95.05051	0.9
96.96024	1.4
97.02962	1.3
98.20715	1.3
99.00897	2.1
99.04528	2.8
101.02456	20.5
102.02818	0.7
102.66911	0.7
109.02972	2.3
109.06620	1.1
111.00836	0.9
113.02462	11.8
119.03516	3.2
119.05041	7.1
121.02986	4.5
124.01655	2.1
125.02459	9.2
131.03511	4.4
137.02498	1.8
139.11292	3.1
143.03513	2.8
143.07097	1.1
145.02908	1.5
147.04616	1.0
149.99579	2.1
151.00281	1.3
151.04041	1.1
159.02946	1.0
161.04582	6.2
161.08185	0.8
163.03955	1.0
165.05534	1.4
165.12904	0.9
168.00662	3.4
169.01465	6.4
179.05701	1.1
181.05031	1.5
181.12376	2.0
183.10246	3.4
195.06566	1.2
207.02873	0.7
207.13889	6.5
209.11845	5.6
211.21767	0.7
225.11244	2.1
225.14938	6.6
226.15376	0.8
227.12891	23.4
228.13161	2.4
229.87567	0.7
243.12314	9.2
251.12854	1.8
255.02917	1.4
269.13925	10.9
270.14343	0.9
284.03189	0.8
285.03900	3.4
285.13336	2.3
287.14975	19.0
288.15070	1.2
323.13324	2.6
329.15991	0.9
331.06567	1.2
341.10880	0.9
341.15939	0.7
345.15448	3.1
365.14444	2.5
371.24347	3.3
389.18079	2.0
401.21234	13.3
401.25339	2.8
402.21921	1.0
405.17566	7.3
406.17850	0.9
407.21283	0.8
449.20181	5.6
489.22867	1.1
517.22620	1.4
533.26245	10.4
534.25861	1.5
575.26953	2.5
593.28021	84.6
594.19641	1.0
594.28381	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01383	3.1
61.98829	7.8
62.96389	0.5
63.93801	0.5
69.03444	0.7
71.01390	0.7
78.95911	60.7
80.02696	1.1
81.03469	0.8
83.05039	4.7
84.02174	0.7
88.98824	0.9
89.02451	0.6
92.53299	0.5
95.05054	1.3
96.96970	11.2
97.02967	1.8
99.47626	0.5
99.57648	0.4
109.06590	0.7
111.08177	2.9
121.02980	0.6
125.09727	1.4
135.08159	0.5
137.09727	0.5
141.09378	0.5
150.98055	1.3
152.99608	48.4
153.99979	1.1
163.11342	4.0
165.12849	2.7
169.12418	1.1
171.10274	1.8
181.12369	0.8
191.10866	1.2
193.12361	0.5
197.11861	10.3
199.13379	0.6
207.10085	0.5
209.11845	100.0
210.12167	5.6
211.13405	2.3
223.00133	2.1
227.12891	7.9
241.01195	24.7
242.01570	1.2
259.02246	0.6
273.18738	0.5
277.21725	42.3
278.22086	4.3
291.19666	12.1
309.20697	17.3
310.21170	1.8
315.04886	6.1
349.80661	0.5
413.21008	4.4
431.22238	0.8
501.31973	0.5
593.27362	85.5
593.35828	3.1
594.27679	14.5
594.36993	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	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
61.90104	0.3
61.98822	1.2
69.54572	0.8
69.54985	2.5
78.95906	63.2
79.69550	0.3
96.96971	12.3
108.17625	0.3
146.29793	0.3
150.97929	0.8
152.99603	93.8
153.99988	1.4
170.49313	0.4
171.00653	3.1
223.00131	11.1
233.22728	0.5
241.01184	25.8
242.01599	0.9
259.02258	1.3
275.20032	0.5
277.21710	46.1
278.22052	5.3
280.91345	0.4
314.95010	0.5
315.04865	14.6
316.05283	0.8
327.59106	0.4
333.05881	1.2
593.27307	100.0
594.27606	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	593.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.7
60.99292	0.3
61.98514	0.4
61.98830	6.7
62.96418	0.3
63.26376	0.3
64.29972	0.3
66.87186	0.3
69.54987	2.8
71.01391	0.5
78.95905	59.8
81.94337	0.3
83.05040	0.5
85.48766	0.3
88.98801	2.5
96.96976	12.0
98.19838	0.4
99.51702	0.3
102.81976	0.3
139.27397	0.3
150.98013	1.1
152.99599	93.0
153.99950	1.5
170.22006	0.4
171.00696	2.3
171.10313	0.7
197.11852	0.6
209.11909	1.6
211.13458	1.1
211.81641	0.3
223.00125	9.0
227.12834	0.8
241.01180	25.4
242.01443	0.8
259.02249	1.6
259.20645	0.7
275.20148	0.4
277.21713	44.9
277.40689	0.4
278.22021	5.4
291.19867	0.4
293.21078	0.4
315.04855	14.2
316.05264	0.9
333.05893	1.2
365.27176	0.4
429.30215	1.8
457.33093	0.4
477.13266	0.4
480.19977	0.4
593.27295	100.0
594.27600	19.1
608.48151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1306
Annotation	CHEBI:75674
Peak:m/z	Relative Intensity
56.99835	0.6
57.03450	11.4
59.01084	0.7
59.01377	8.6
61.98836	3.1
63.02400	0.6
69.03464	0.9
71.01392	6.8
71.40551	0.9
72.99304	1.1
81.03463	2.0
81.82822	0.5
83.01383	4.0
85.02964	1.9
87.00880	1.6
88.98827	0.8
89.02451	7.4
93.03488	3.8
95.01418	0.9
95.05057	1.8
96.96017	1.4
97.02948	3.3
99.04501	0.6
101.02469	3.2
105.03471	1.4
107.01486	0.6
107.05022	1.0
108.02167	1.1
109.02973	14.8
110.03313	0.9
111.00880	1.7
113.02473	2.6
116.92848	2.8
117.03416	0.7
119.03503	1.7
119.05046	0.6
119.97754	0.5
121.02975	6.7
123.00897	2.1
123.04539	12.9
124.01653	1.2
125.02461	100.0
126.02792	3.7
128.03531	0.8
131.03525	1.7
133.02975	2.6
135.04555	2.4
137.02469	22.5
138.01941	1.1
138.03041	0.6
139.04044	3.3
143.04713	1.3
145.02950	0.8
149.02469	11.1
149.04443	2.8
150.03207	1.2
151.00377	1.0
151.04028	10.1
153.01933	0.8
159.04518	2.1
160.05310	0.8
161.02505	3.1
161.04677	0.8
161.06087	3.2
162.03282	1.1
163.00352	1.7
163.04041	3.3
164.01210	3.1
165.01938	5.7
166.02675	1.9
167.03558	3.1
169.01465	2.9
173.02396	0.7
173.06065	1.6
174.03148	0.8
175.04031	6.7
175.07576	1.3
176.01207	0.9
177.01942	95.9
178.02316	4.6
179.03545	4.2
179.05656	2.7
180.04070	0.7
181.05096	2.8
184.05284	0.6
185.06041	0.8
187.04053	4.7
188.04723	2.2
189.01907	0.7
189.05544	0.8
191.03465	1.7
191.05605	2.1
196.69231	0.6
199.07668	0.6
201.05620	1.2
203.03419	1.9
203.07169	8.5
205.01459	1.4
205.05054	5.8
208.50243	0.6
211.03969	1.3
213.05501	1.3
215.03448	1.2
216.04045	0.6
217.05101	1.5
219.03081	0.8
219.06505	0.8
221.08165	0.7
225.05521	0.6
227.07108	1.2
228.04230	1.2
229.05017	3.2
230.05789	1.0
231.02917	1.7
231.06490	0.6
243.02866	2.8
245.04532	0.9
245.08180	9.2
246.08519	0.7
247.06075	0.8
249.04019	0.8
253.05026	0.7
253.54741	0.7
255.02963	5.4
256.03836	3.7
257.04395	1.6
259.93842	0.7
261.04016	2.7
269.04599	1.1
272.08859	1.7
273.04004	4.4
281.04568	1.9
283.02353	1.2
285.04013	2.3
285.09805	2.6
287.05731	0.7
289.07169	56.1
290.07480	5.6
297.04007	1.0
297.07538	1.1
300.99850	2.3
303.04999	8.9
304.05627	1.0
305.06717	2.5
315.05032	4.5
331.07947	0.8
339.08624	2.6
369.06015	1.1
381.09662	2.2
393.19229	0.7
407.07700	33.0
408.08112	5.3
423.07025	1.6
425.08807	22.3
426.09039	3.5
441.08124	2.9
467.09839	8.7
468.10156	2.2
557.15125	1.9
593.12708	15.3
594.13281	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	593.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.0
66.32700	0.6
70.18349	3.3
78.42692	0.6
81.03473	2.0
83.01396	4.5
93.03460	3.9
95.05032	2.4
97.02976	4.4
105.03480	1.2
107.05034	2.0
108.02201	0.9
109.02962	19.0
110.03309	0.7
121.02970	7.5
123.00924	0.9
123.04548	12.7
124.01665	0.8
125.02463	93.0
126.02794	2.4
133.02983	2.1
135.04552	2.2
137.01418	1.1
137.02460	17.5
138.03043	1.0
139.04045	3.5
146.03752	1.1
147.04558	1.1
149.02448	11.5
150.03166	0.8
151.04019	11.0
159.04514	2.1
160.05298	0.7
161.02437	2.3
161.06102	3.1
162.03169	0.9
163.00372	2.0
163.04012	3.0
164.01091	3.6
165.01961	4.4
166.02635	0.7
167.03490	2.3
173.06010	1.1
174.03210	0.8
175.04016	10.0
175.07663	0.9
176.01233	0.6
177.01945	100.0
177.05283	2.0
178.02280	4.7
179.03488	3.8
185.06070	1.2
187.04053	6.1
188.04784	2.7
189.02005	1.1
189.05589	1.3
191.03494	1.3
192.16005	0.6
193.05174	1.0
197.59521	0.6
201.05571	1.9
202.06293	0.8
203.03473	1.2
203.07156	8.6
205.01416	1.6
205.05043	6.0
211.04033	1.3
212.04564	0.9
213.05598	1.6
214.02786	1.5
215.03465	1.7
217.04982	2.6
219.02910	1.6
219.06558	0.7
221.08139	1.6
227.03464	1.7
227.07135	1.6
228.04216	0.8
229.05151	3.0
241.05054	0.9
243.02995	2.9
245.08200	12.6
247.06099	1.2
253.05034	1.8
255.03008	8.9
256.03738	5.7
257.04572	3.0
261.03973	2.1
269.04495	1.0
271.06146	1.2
273.04108	5.5
281.04504	3.7
283.02435	2.1
285.04025	4.1
289.07181	62.8
290.07553	6.0
297.04025	1.8
297.07574	0.7
303.05103	9.2
305.06772	1.9
315.05066	3.6
339.08777	3.1
346.13187	0.7
381.09601	2.6
407.07712	63.9
408.08017	7.8
425.08777	35.1
426.09210	5.2
441.08142	3.0
467.03802	0.9
467.09814	8.9
468.09714	1.3
575.11572	1.1
593.04480	0.9
593.13031	11.8
594.13574	2.3
622.56628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1304
Annotation	CHEBI:75670
Peak:m/z	Relative Intensity
57.03448	12.8
61.98833	0.9
65.03980	1.1
69.59976	5.9
81.03465	2.3
83.01398	3.8
93.03475	3.8
95.01402	1.5
95.05013	1.8
97.02938	4.2
105.03462	1.3
107.05051	1.4
108.02185	0.9
109.02968	19.8
109.20134	0.6
110.03274	0.9
114.82795	0.6
121.02962	8.3
122.03736	0.8
123.00867	1.2
123.04541	12.7
124.01669	1.1
124.04935	0.9
125.02463	100.0
126.02776	3.2
131.05026	1.2
132.02124	0.8
133.02983	3.1
135.04549	1.6
137.02469	19.4
139.04031	3.9
143.05116	1.3
145.02950	1.1
147.04506	1.0
149.02473	11.5
150.02962	0.9
151.04025	14.9
152.04414	1.1
159.04524	3.5
160.05159	0.9
161.02515	3.6
161.06123	4.5
162.03217	1.5
163.00354	1.6
163.04022	4.1
164.01167	4.1
165.01959	6.2
166.02658	0.8
167.03494	3.1
173.06023	1.1
175.04013	12.9
175.07597	1.6
176.01158	1.3
177.01944	93.8
178.02299	5.3
179.03516	6.0
185.06071	1.8
187.04018	9.0
188.04774	2.4
189.02007	0.8
189.05630	1.1
191.03470	1.1
193.05081	1.3
199.03938	1.1
201.05521	1.4
202.06302	1.5
203.03584	2.1
203.07153	9.2
204.07477	0.7
205.01385	1.6
205.05061	7.8
211.04027	2.1
212.04675	0.9
214.02843	0.7
215.03461	2.9
217.05032	2.5
219.02991	1.1
219.06650	1.1
221.08162	1.4
222.63835	0.7
227.03499	2.0
227.07149	1.5
228.04321	1.0
229.05089	4.5
230.05714	1.5
231.02971	1.5
231.06554	0.8
243.03014	3.4
245.08171	10.4
246.08539	0.8
247.06216	1.0
253.05060	1.7
255.02995	12.8
256.03690	7.1
257.04413	2.5
261.03946	2.6
269.04462	2.5
271.06113	1.1
273.04105	5.8
281.04550	5.1
283.02441	2.7
284.03207	1.5
285.04095	4.2
289.07178	59.6
290.07538	4.8
297.04095	1.9
297.07684	1.5
303.05087	8.2
305.06644	6.6
315.05032	2.7
315.08463	1.1
329.06894	0.9
339.08710	5.7
341.06726	0.9
381.09650	2.5
389.06403	0.9
394.16302	0.7
407.07718	75.4
408.08060	10.0
423.07001	4.1
425.08765	37.0
426.09216	5.3
431.99216	0.7
441.08151	3.0
449.08298	1.1
467.09839	8.2
468.10281	1.4
575.11951	0.9
593.13013	10.1
594.13171	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	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.1
58.00620	0.1
59.01381	3.9
61.98832	15.8
63.02403	1.1
65.00320	0.6
69.03467	0.2
69.43247	1.5
71.01385	2.5
72.99333	0.2
73.02941	0.8
83.01386	1.1
85.02953	1.1
87.00864	0.3
88.98809	0.9
89.02456	2.1
91.01926	0.4
93.03462	1.9
95.01414	0.4
97.02949	0.2
101.02447	1.8
107.01405	3.3
108.02251	0.2
109.02952	1.0
113.02464	1.1
117.03476	1.3
119.01357	0.2
119.03518	0.5
119.05024	0.7
121.02956	0.2
123.00904	0.3
124.01627	0.2
125.02470	0.3
129.07111	0.2
130.04280	0.2
131.03508	0.5
131.05019	0.4
133.02919	0.3
135.00909	1.0
135.04536	0.3
137.02495	0.2
141.07074	0.2
143.03450	0.1
143.05035	1.0
145.02971	4.2
145.06609	0.2
146.03484	0.1
148.01788	0.2
149.04572	0.5
151.00386	4.3
153.01962	0.6
154.04298	0.3
155.05034	0.3
156.05798	0.2
157.06581	0.8
158.03729	0.2
159.04544	1.8
161.04556	0.4
161.05966	0.2
163.00386	2.5
163.04001	0.5
164.01093	0.4
165.01906	0.5
165.97334	0.1
167.05019	0.6
168.05699	0.2
169.01494	1.1
169.06561	1.0
171.04530	0.6
173.02547	0.3
173.06100	0.2
175.04184	0.1
177.01959	0.3
179.03571	0.2
179.05647	0.4
182.03653	0.2
183.04514	0.6
184.05304	0.2
185.06084	2.6
187.04019	3.4
188.04378	0.2
189.05568	0.9
191.05658	0.3
192.00708	0.2
195.04520	0.7
196.05186	0.4
197.06065	1.0
198.03181	0.2
199.04031	0.8
201.05586	0.7
209.06047	0.2
211.03996	1.9
212.04639	0.5
213.05571	2.0
214.02679	0.5
215.03497	0.5
223.04045	0.4
225.05475	0.3
227.03497	4.3
228.03979	0.4
229.05045	11.2
230.05399	1.0
239.03464	1.2
240.04245	0.9
241.05040	1.9
243.02975	0.4
253.05099	0.2
255.02971	5.2
256.03702	1.3
257.04526	7.0
258.04880	0.7
267.02979	1.2
268.03583	0.3
269.04483	0.6
281.04523	0.2
283.02521	0.9
284.03238	3.6
285.04028	100.0
286.04367	10.0
286.07629	0.3
295.02356	0.2
297.04077	0.8
298.04266	0.3
307.08194	2.5
325.03510	5.9
326.03772	0.7
327.08823	0.4
400.23944	0.2
401.25433	2.3
402.25488	0.3
403.08124	0.2
419.49838	0.2
425.49304	0.2
429.08163	1.1
430.08234	0.2
431.07492	0.3
447.09280	2.5
448.09683	0.3
487.08533	0.5
512.21350	0.4
533.29083	3.3
534.29999	0.5
593.13007	7.2
594.13245	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
60.50219	0.2
61.98833	4.8
63.02412	1.2
65.00326	0.5
65.42107	0.2
67.40236	0.2
71.01389	0.7
71.22282	0.4
73.02934	0.3
78.73809	0.2
80.85259	0.2
83.01390	1.1
85.02985	0.2
88.98808	0.4
89.02455	0.3
91.01936	0.3
91.19915	0.2
93.03487	1.4
95.01415	0.2
101.02413	0.3
107.01410	2.6
109.02961	0.7
117.03490	1.5
119.01417	0.2
119.05029	0.7
130.04283	0.2
131.05023	0.4
133.03102	0.2
133.72066	0.2
135.00900	1.1
138.23730	0.2
141.07146	0.2
143.05078	1.1
145.02988	5.5
146.03310	0.3
151.00400	3.6
153.02000	0.5
154.04227	0.3
155.05037	0.2
156.05833	0.3
157.06606	0.7
159.04572	1.5
161.02409	0.5
161.04543	0.2
163.00424	2.3
163.04059	0.7
165.01863	0.3
167.05086	0.3
168.05956	0.2
169.01407	0.6
169.06577	0.7
171.04503	0.4
173.06088	0.3
174.03156	0.3
182.03694	0.3
183.04501	0.5
185.06102	2.5
187.04021	3.0
188.04320	0.4
189.05595	1.0
190.99936	0.2
192.00632	0.2
195.04524	0.7
196.05138	0.3
197.06091	1.1
198.03227	0.3
199.03996	0.8
201.05597	0.9
211.04041	1.9
212.04582	0.2
213.05554	1.9
214.02748	0.3
223.04112	0.2
227.03513	7.0
228.03894	0.7
229.05058	10.6
230.05481	0.9
239.03531	1.0
240.04234	0.6
241.05049	1.4
243.02998	0.5
255.02975	9.2
255.05666	0.5
256.03561	1.9
257.04550	6.8
258.04910	0.5
267.03000	0.9
268.03867	0.3
283.02530	0.5
284.03268	10.1
285.04044	100.0
286.04395	9.8
307.08298	1.9
308.09067	0.2
375.28748	0.2
401.25089	0.7
429.08337	0.8
447.09308	2.0
533.28760	0.5
593.13025	10.5
594.13336	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	592.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98832	100.0
62.98531	0.2
69.99210	0.3
69.99624	0.3
71.01393	0.2
78.95910	0.3
88.98814	0.2
89.02460	0.2
98.20498	0.2
101.02491	0.1
113.09736	0.2
121.02969	2.1
138.79822	0.1
141.53140	0.1
160.84392	0.1
169.12428	0.1
185.53464	0.1
196.45988	0.1
209.04538	1.4
209.11916	0.2
224.06993	0.1
235.16992	0.3
236.17419	0.4
237.17590	0.2
293.18246	0.1
293.21207	0.6
447.11606	0.1
451.08102	0.1
466.92767	0.1
472.31818	0.1
518.29089	0.4
544.46136	0.1
563.61597	0.1
593.13116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69884	0.1
59.01379	0.5
61.98832	100.0
63.99271	0.1
66.70101	0.1
68.93349	0.1
71.70586	0.1
75.00888	0.4
78.95910	1.3
80.96526	0.3
83.05042	0.2
88.98817	0.3
89.02481	0.2
95.16491	0.1
96.96024	0.2
96.96995	0.2
99.00918	0.1
117.48004	0.1
152.99623	0.5
153.99899	0.2
182.89444	0.1
186.62665	0.1
209.11821	1.9
211.13484	0.5
212.13721	0.3
212.55991	0.1
225.11394	0.1
275.41464	0.1
285.04193	0.3
517.31854	0.2
592.25165	0.5
593.27661	0.2
614.35095	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	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77378	0.2
59.01379	1.3
60.64699	0.2
61.98827	4.3
63.02405	0.9
65.00330	0.8
69.73783	0.2
73.02933	0.3
83.01399	1.2
85.02962	0.4
87.00841	0.2
88.98847	0.3
91.01913	0.4
93.03468	1.2
95.01393	0.3
98.19866	0.4
99.52110	0.2
101.02456	0.7
107.01388	3.0
109.02940	0.5
113.02493	0.3
117.03470	3.6
119.01439	0.3
119.05032	4.1
120.02254	0.3
122.46826	0.2
125.02413	0.3
131.05026	0.2
132.02184	1.1
135.00861	1.5
140.81902	0.2
143.05051	1.4
145.02969	12.4
146.03314	0.9
151.00392	5.3
153.01952	0.6
156.17227	0.3
157.06596	0.8
159.04518	1.1
161.06104	0.3
163.00394	2.8
163.04042	2.6
164.01068	0.6
165.01967	0.4
167.05070	0.5
169.01448	0.8
169.06601	1.2
171.04497	0.9
174.03258	0.3
175.03990	0.3
178.99916	0.4
181.05226	0.3
182.03601	0.3
183.04520	0.8
184.05330	0.3
185.02419	0.5
185.06120	2.3
187.04019	2.9
189.05534	1.1
190.99907	0.4
195.04562	0.5
196.05437	0.3
197.06081	1.0
199.03976	1.5
200.04782	0.5
201.05545	0.7
211.03984	2.9
212.04671	0.8
213.01859	0.3
213.05522	2.0
214.02669	0.4
215.03516	0.4
217.04982	0.4
223.03976	0.4
227.03497	38.6
228.03865	3.4
229.05045	8.8
230.05424	0.9
239.03464	2.2
240.04208	1.0
241.04999	1.7
243.02927	0.3
255.02968	68.1
256.03552	12.0
257.04532	7.6
257.07315	0.3
258.04840	0.5
267.02853	0.9
268.03656	0.4
283.02505	0.5
284.03247	74.7
285.04001	91.1
286.04379	8.3
307.08243	4.6
308.08627	0.4
327.04822	0.6
371.14798	0.3
401.25366	0.3
419.72128	0.3
429.07697	0.3
447.09238	2.8
448.09500	0.5
593.13007	100.0
594.13318	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01378	3.6
61.98837	9.2
62.25783	0.8
63.17258	0.9
64.81311	0.8
68.99829	1.1
69.03474	2.1
69.53984	7.7
71.01379	2.0
73.84191	0.8
75.00877	3.1
78.95953	0.8
81.03452	1.3
83.01389	2.1
83.05044	1.9
85.02962	1.9
95.05025	1.0
97.02955	0.9
97.06599	3.7
98.19854	1.0
99.92601	2.7
100.92621	1.9
101.92426	2.2
103.00417	1.1
108.02173	3.9
109.03002	4.2
109.06638	1.1
111.08178	1.4
115.92132	1.1
116.92886	1.3
118.09219	0.9
121.06625	0.8
123.04571	2.1
125.02531	1.1
125.09752	7.0
137.09756	2.2
146.16078	0.8
153.00801	0.8
153.01976	1.9
154.02867	0.8
158.36234	0.8
163.11284	3.9
165.12866	10.4
166.13269	1.2
168.04297	0.9
171.10260	2.0
181.12372	1.2
183.13918	100.0
184.14272	6.2
185.11862	11.1
186.12308	0.9
191.14429	2.8
207.10210	2.1
209.11845	23.6
210.12167	1.4
211.13377	2.6
223.09851	1.2
225.11377	2.0
227.12901	9.7
233.11800	1.0
245.19069	5.1
249.14938	1.7
251.12949	4.2
277.21716	2.4
279.23148	1.9
289.18118	16.4
290.18140	1.1
301.16605	8.1
307.19156	13.5
308.19543	1.2
375.25327	1.8
455.31870	1.8
473.32745	4.4
475.27039	7.8
476.27438	1.8
493.27933	10.4
494.28235	1.2
529.29810	2.1
547.36658	1.7
591.27820	2.5
591.35864	12.2
592.35919	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	591.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37704	0.7
55.01884	2.4
57.03453	1.9
58.00594	1.7
59.01380	100.0
60.01706	1.0
61.98833	51.7
62.92947	0.7
69.03468	0.9
69.93945	0.7
71.01388	40.0
72.01733	0.8
72.99319	2.5
73.02952	10.0
75.00932	0.8
78.95912	56.2
80.02663	1.1
81.03455	1.3
83.01401	4.4
83.05029	5.1
84.02200	1.0
85.02960	14.3
85.03441	1.2
87.00887	4.0
88.98841	2.3
89.02456	27.9
95.01424	3.2
95.05050	0.8
96.96008	0.9
96.96973	4.4
97.02971	0.9
97.06636	0.9
98.19842	1.8
98.54240	0.7
99.00886	3.8
99.04550	1.4
101.02458	29.7
108.02195	4.4
109.02982	2.2
111.00918	1.0
113.02461	15.5
113.03218	0.9
119.03510	7.3
125.02453	3.8
129.01965	1.2
131.03525	12.3
133.02972	0.8
133.61121	0.7
135.04601	1.3
135.11864	0.8
143.03564	2.6
149.04582	8.7
152.01236	2.8
152.99606	33.4
153.01981	1.6
154.00121	1.1
159.03050	2.8
161.04575	13.0
161.09695	1.1
163.11319	3.2
165.12915	2.7
169.01503	0.9
176.01157	0.9
177.01999	1.5
179.03500	1.3
179.05672	4.3
179.07112	1.1
179.10831	1.6
191.05646	5.3
191.10867	1.4
207.14040	1.1
209.11839	58.5
210.12166	3.6
211.13562	1.3
221.12167	0.7
225.14957	4.2
227.12897	26.5
277.13010	2.7
293.08746	3.6
304.12125	1.0
321.19495	1.1
363.12112	25.3
364.12943	1.8
369.26788	3.1
381.13272	6.3
399.23892	30.0
400.24216	4.1
459.81876	0.9
501.31110	1.0
531.28888	18.8
531.31531	17.0
532.29510	3.1
573.33191	2.1
574.26624	1.2
591.26025	35.7
591.34363	42.4
592.26837	21.4
592.34894	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60169	0.5
54.10957	0.5
55.01875	2.1
57.03451	2.0
58.00595	1.3
59.01378	100.0
60.01706	1.2
61.98830	52.3
63.98505	0.5
66.21407	0.5
66.34210	0.6
69.03461	1.1
71.01384	37.6
72.01739	1.1
72.99313	2.3
73.02951	9.4
78.95908	53.2
80.02713	0.8
81.03479	1.9
82.95421	0.6
83.01398	4.2
83.05021	4.3
85.02957	11.6
85.03446	0.9
87.00900	2.5
88.98835	2.4
89.02451	25.7
91.65157	0.6
95.01389	3.3
96.23518	0.6
96.96021	0.9
96.96966	4.5
97.03000	1.3
97.06599	1.3
99.00897	4.4
99.04544	1.5
101.02457	28.5
102.02794	0.9
108.02200	4.2
109.02992	2.5
109.06588	0.6
109.70271	0.6
111.00899	1.0
113.02466	16.2
114.02815	0.6
117.28008	0.6
117.92925	0.5
119.03519	6.5
121.03034	0.6
123.00951	0.9
125.02488	3.0
129.01958	0.8
130.74771	0.6
131.03529	11.3
132.03809	0.6
135.04544	2.1
143.03539	2.9
145.88046	0.6
149.04585	7.8
152.01202	2.4
152.99600	32.6
153.01979	1.5
155.81441	0.5
159.03017	1.5
161.04575	13.5
162.05005	0.7
163.11252	3.0
165.12881	2.8
167.10918	0.7
169.01514	1.1
177.02034	1.9
179.05605	3.5
179.07050	0.6
179.10847	2.1
191.05608	4.5
191.10793	0.7
207.13979	1.6
209.11833	54.5
210.12215	5.2
221.11858	0.7
225.14928	4.7
227.12886	24.0
228.13272	1.3
251.07727	0.7
268.07059	0.6
269.14084	1.1
274.13632	0.6
277.13129	1.2
285.40390	0.6
293.08923	2.8
304.11884	1.5
321.19305	1.5
322.13016	1.0
325.13101	0.9
360.44196	0.6
361.46222	0.6
363.12115	22.3
364.12494	2.8
369.26627	2.1
381.13144	6.8
399.23856	28.1
400.24213	3.8
459.29922	1.1
468.98743	0.8
510.66537	0.6
531.28894	17.9
532.30121	3.5
573.33258	3.2
574.27032	1.8
591.25995	30.3
591.34344	39.8
592.27539	23.3
592.34827	5.6
604.56354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03439	1.7
58.00586	1.6
59.01382	37.4
60.01731	0.5
60.99281	0.5
61.98833	100.0
69.03458	0.8
71.01388	36.5
72.99322	2.0
73.02953	8.7
75.00878	1.8
78.95911	7.3
79.95751	1.0
80.96531	2.3
83.01398	4.5
83.05052	0.7
85.02961	13.0
87.00891	1.7
87.04558	0.8
88.98832	1.8
89.01904	1.0
89.02455	19.1
91.01859	0.5
93.03478	0.7
93.15411	0.5
95.01421	2.2
96.96033	1.7
96.96964	0.5
97.02971	1.2
99.00906	4.7
101.02457	24.3
102.02850	0.8
109.02964	0.7
113.02464	13.7
119.03529	3.4
121.02946	0.5
125.02456	2.7
129.01984	0.8
131.03531	7.5
135.08153	0.5
137.02461	3.8
143.03499	2.6
147.00928	0.5
149.04568	7.0
152.99619	4.2
159.03069	2.2
161.04568	11.5
162.04944	0.6
165.01915	3.1
170.55212	0.6
171.10310	0.7
175.00381	0.7
177.09375	0.5
179.05652	1.7
179.10808	0.8
180.04393	0.8
191.05684	2.9
195.06667	1.4
199.13544	0.7
202.99928	2.2
205.03572	0.7
205.12500	0.7
207.10284	0.9
208.00166	1.9
209.00990	5.1
209.11821	3.9
211.13419	2.3
212.86046	0.5
225.11409	0.6
227.12965	1.5
229.84975	0.5
233.06741	0.8
246.98849	11.1
247.99319	0.8
251.16745	1.0
293.08838	1.6
363.12180	1.6
399.23883	62.2
400.24200	9.7
405.91339	0.6
459.30136	0.9
487.34229	1.8
515.15839	1.3
531.27936	25.7
532.28357	5.2
533.31110	0.8
547.18176	0.9
558.12524	0.6
573.24884	0.7
591.25635	5.7
591.34412	4.8
592.25812	1.3
592.35107	0.9
615.88379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2613
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
52.54597	0.5
53.76503	0.6
61.98830	1.5
71.66821	0.8
78.64607	0.6
86.46114	0.5
91.51781	0.6
159.59760	0.6
168.07452	0.6
295.90598	0.6
406.17804	0.7
429.16763	0.7
443.22449	1.7
445.19882	1.1
446.20322	0.7
455.22684	1.1
456.23087	1.2
459.21805	2.4
471.26529	3.1
472.22635	1.4
473.23447	1.0
482.21457	1.1
485.19821	1.9
486.19839	0.7
487.24933	2.5
497.23306	3.6
498.23746	0.8
499.21252	3.3
500.22165	12.3
501.22424	3.1
514.23395	0.7
515.24493	100.0
515.78137	0.7
516.24817	23.1
519.24036	1.1
559.23529	4.9
560.23779	1.6
591.26904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28111	0.1
59.01376	0.2
60.19968	0.1
61.98832	100.0
62.98520	0.2
71.01402	0.1
77.74378	0.1
78.95930	0.6
80.96519	0.1
87.00932	0.1
88.98858	0.1
96.95994	0.1
129.79584	0.1
152.99634	0.4
198.38257	0.1
207.10281	0.2
209.11926	0.2
211.13361	0.3
229.84882	0.1
257.91702	0.1
325.15710	0.1
501.32040	0.2
517.32062	0.2
591.25421	0.3
591.33478	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24186	0.1
52.54604	0.1
54.25169	0.2
59.01382	0.8
60.99314	0.2
61.98830	100.0
62.98524	0.3
63.91525	0.1
71.68111	0.2
78.95915	2.4
79.02697	0.1
88.98794	0.7
96.96999	0.2
152.99585	1.3
160.84322	0.2
171.10324	0.2
180.19643	0.2
207.10294	0.2
209.11754	0.3
211.13380	1.1
225.11461	0.3
227.12891	0.2
239.00108	0.2
347.12872	0.3
384.14777	0.2
406.09372	0.2
439.49811	0.1
553.46545	0.2
559.19141	0.2
590.34503	0.3
591.26892	0.2
591.38831	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76210	0.5
59.01381	1.2
61.98831	6.6
69.73440	0.8
69.73846	3.0
71.01378	2.8
75.08279	0.6
83.01389	0.6
85.02900	0.6
87.00879	0.6
93.03485	0.8
95.01389	1.6
98.20634	0.6
101.02445	0.9
107.01405	3.3
108.02169	0.6
111.00917	2.5
113.02467	1.1
121.02966	1.2
123.00896	8.6
123.04507	1.1
124.01662	1.6
125.02462	21.6
126.02782	0.7
127.00363	1.0
136.98801	1.2
137.02457	1.3
139.00412	2.7
139.03975	1.1
140.01144	3.2
141.01929	0.7
149.02431	1.7
150.03242	11.4
151.00380	7.2
151.03973	2.0
161.02588	0.5
162.03278	0.6
163.04034	1.0
164.04791	1.1
165.05568	8.5
166.99794	0.6
167.03499	0.6
168.00690	5.6
169.01445	38.4
170.01758	2.0
177.02046	0.6
179.03520	1.1
181.05049	0.6
182.02190	0.5
183.02991	5.4
195.06627	1.1
210.01630	0.6
211.02409	4.4
225.04097	4.9
241.03462	1.4
249.04059	0.8
271.04538	2.7
285.06213	5.1
297.06134	1.6
313.05676	13.7
314.06012	1.2
327.07092	1.5
373.07617	1.7
385.07843	3.8
479.11954	19.6
480.12256	3.7
491.11963	0.7
509.13165	3.9
527.14038	100.0
528.14417	17.0
591.19086	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	590.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
59.01365	1.5
61.98832	8.2
65.86860	0.4
67.01878	0.9
69.53661	4.0
71.01380	2.5
71.17458	0.4
72.99306	0.5
73.02942	0.6
75.50894	0.4
79.01893	0.8
81.12640	0.4
83.01348	0.8
85.02969	1.3
87.00900	1.1
95.01391	1.3
101.02451	1.3
107.01406	4.8
108.02151	0.5
111.00898	2.7
113.02442	1.8
117.14933	0.4
121.02979	0.9
122.03737	0.5
123.00893	11.0
123.01728	0.8
123.04514	1.1
124.01660	1.3
125.02464	26.6
126.02782	0.8
127.00399	0.8
136.98814	1.4
137.02452	1.3
139.00397	4.1
139.04021	1.4
140.01187	3.6
141.01933	1.3
145.02954	0.6
149.02478	2.6
150.03244	13.3
151.00391	7.4
151.03925	1.9
152.00739	0.5
153.01994	0.6
153.05580	0.6
161.02469	1.4
162.03181	1.1
163.04030	1.8
164.04790	1.4
165.05577	8.8
166.06058	0.4
166.99850	0.5
167.03447	0.5
168.00664	7.2
169.01451	45.9
170.01776	1.8
177.05545	0.6
179.03543	0.6
180.04236	1.0
183.03032	4.9
195.06647	1.6
210.01616	0.7
211.02505	4.6
223.02422	1.2
225.04056	4.9
226.04448	0.6
241.03542	1.0
253.03542	0.9
271.04596	2.4
285.06165	6.3
286.06445	0.5
295.74039	0.5
297.06116	2.2
300.99835	0.6
313.05630	18.3
313.09286	1.0
314.06036	1.3
327.07217	2.0
346.08197	0.5
373.07828	1.3
385.07721	3.4
450.89142	0.5
479.11942	26.7
480.12347	4.0
491.12271	0.6
509.13019	5.2
527.14014	100.0
528.14380	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	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45961	0.6
59.01376	15.8
61.98830	87.8
69.03438	1.0
70.22605	0.9
71.01388	5.5
71.45174	0.8
72.99297	2.1
73.02951	1.2
78.95908	2.9
85.02956	1.2
87.00894	0.7
88.00422	0.7
89.02455	4.7
96.96002	1.3
101.02469	5.8
104.91840	0.7
113.02483	2.3
119.03503	1.0
131.03503	1.7
150.57518	0.8
152.99651	1.4
161.04599	3.5
171.10254	1.6
179.14441	0.8
195.13922	7.1
197.11827	1.0
205.12360	0.8
209.11818	7.6
211.13367	3.2
223.13376	5.4
235.17096	1.4
253.09276	34.1
254.09566	2.1
256.13300	0.9
275.20163	5.7
293.21210	100.0
294.21585	10.9
340.37854	0.8
492.22281	1.4
526.27106	1.0
529.30042	1.7
589.26141	1.1
603.29108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28558	0.4
57.03442	0.5
59.01379	9.2
61.98832	100.0
71.01388	6.9
72.99335	0.5
73.02960	0.9
78.95929	1.2
79.42913	0.4
79.95721	0.4
80.23505	0.4
81.03458	0.5
83.05891	0.4
85.02975	1.0
88.98846	0.4
89.02455	6.8
96.96033	0.4
96.97019	0.4
97.02950	0.4
98.20567	1.0
99.04497	0.4
101.02449	2.7
111.00851	0.4
113.02493	1.4
116.92903	0.7
119.03493	0.5
125.02496	1.8
131.03526	1.9
143.03596	0.4
149.04588	2.7
161.04573	0.5
171.10295	0.8
191.05685	1.1
195.14035	1.0
209.11905	1.4
211.13435	0.6
223.13429	0.8
227.12727	0.5
235.17029	11.5
236.17467	1.2
253.09303	5.3
275.20349	1.3
291.19791	0.4
292.19946	0.7
293.08780	3.7
293.21207	13.8
294.21719	1.4
359.31613	0.4
529.30176	0.7
558.97076	0.4
589.33734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
58.00602	1.0
59.01379	36.2
59.98518	1.3
61.98831	13.8
65.19882	0.3
69.03456	1.3
69.70179	2.6
71.01385	22.3
72.01725	0.6
72.48598	0.3
72.99309	1.1
73.02948	1.4
74.72672	0.3
75.27910	0.4
78.64003	0.3
78.91891	0.6
79.82119	0.3
80.47006	0.3
81.03469	0.6
83.01379	1.1
85.02956	2.8
85.04181	0.3
85.45863	0.3
87.00898	0.8
88.98787	0.4
89.02454	30.0
95.01374	0.7
97.02975	1.4
98.19846	0.4
99.00868	1.6
99.04514	2.7
101.02460	9.7
104.44952	0.4
113.02450	5.0
115.24011	0.3
119.03493	1.2
125.02460	11.1
131.03519	14.3
132.03868	0.4
143.03523	1.1
143.10805	1.7
143.35072	0.4
149.04576	14.4
150.04919	0.5
161.04562	0.9
173.04578	0.5
183.13994	0.3
191.05644	5.7
209.11836	3.2
210.12149	0.4
211.13362	0.4
216.36305	0.3
233.06625	1.3
235.17033	100.0
236.17383	9.3
243.46922	0.4
259.17010	0.8
275.07599	0.5
293.08774	12.7
294.09113	1.0
310.51489	0.4
367.35239	0.3
409.22375	0.4
529.26459	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	589.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01381	3.8
61.98833	2.6
62.26736	0.2
67.01887	0.2
71.01391	1.8
72.99304	0.3
73.02957	0.7
81.03451	0.3
83.01395	0.3
85.02950	0.4
87.00847	0.4
89.02466	1.3
93.03459	1.1
95.01394	0.4
97.02942	0.4
98.19841	0.5
101.02468	1.0
107.01398	1.2
108.02183	0.5
109.02968	0.5
111.00888	0.5
111.04547	0.5
113.02457	0.6
114.52991	0.2
115.75180	0.2
119.05016	0.5
121.02977	2.4
121.97885	0.2
122.03759	12.3
123.00902	1.4
123.04042	0.2
124.01667	1.2
125.02469	9.8
126.02812	0.4
131.03519	0.8
133.03003	0.3
134.03677	0.2
135.04538	5.2
136.01674	0.5
136.04852	0.2
137.02457	3.7
137.06097	0.7
138.03154	0.2
139.00372	0.4
139.03999	0.6
139.94534	0.2
140.01189	0.6
141.01872	0.2
146.03783	0.4
149.02469	3.2
149.04506	1.0
150.03244	14.8
151.00404	1.3
151.03983	1.0
153.01932	0.4
153.05522	0.4
154.02773	1.2
161.02473	1.0
161.06058	0.2
164.04817	2.2
165.01979	1.8
165.05588	14.8
166.02661	0.3
166.06311	1.9
167.07152	100.0
168.00676	1.3
168.04335	0.4
168.07495	5.5
169.01439	14.6
170.01794	0.8
176.04805	1.0
178.99844	0.3
179.03535	1.7
179.07133	2.7
180.04298	2.8
180.07480	0.3
181.01433	0.3
181.05080	1.3
182.04248	0.5
182.05865	7.7
183.02933	0.3
183.06564	1.3
191.05659	0.5
191.07181	0.7
192.04201	0.5
193.01434	1.6
193.04970	0.2
193.08736	0.2
194.05836	2.2
195.02974	0.6
195.06631	11.7
196.07115	0.7
197.08208	8.3
198.08580	0.9
207.06633	0.8
209.08189	6.4
210.05331	0.7
210.08495	0.5
211.02480	5.2
212.02820	0.3
221.08215	1.2
225.07698	5.2
226.08109	0.3
227.13000	0.5
241.03513	0.5
248.83582	0.2
271.04584	4.1
272.04935	0.4
287.15149	0.4
298.09335	0.2
301.00333	0.2
313.05606	0.6
343.11948	0.7
345.13467	0.7
357.13409	0.3
391.13928	0.4
393.15469	0.4
397.22321	0.4
413.08871	0.9
421.14963	0.6
423.05563	1.2
437.10962	0.7
483.07773	3.4
484.08209	0.6
541.21039	0.7
589.12097	13.5
589.23346	4.2
590.12451	2.6
590.23712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.2
58.79493	0.2
59.01380	4.9
61.98835	2.4
67.01894	0.2
69.03469	0.3
70.49129	0.6
71.01391	2.3
72.99335	0.4
73.02945	0.7
79.95739	0.2
83.01379	0.5
83.84299	0.2
85.02950	0.8
87.00879	0.3
88.98824	0.2
89.02456	2.4
93.03458	1.1
95.01402	0.4
95.04994	0.3
96.96024	0.3
97.02946	0.3
99.00879	0.4
101.02455	2.1
107.01398	1.5
108.02182	0.7
109.02956	0.5
111.00879	0.6
111.04546	0.7
111.44832	0.2
112.53304	0.2
113.02469	1.3
116.92893	0.3
119.03510	0.4
119.05046	0.7
121.02987	2.5
122.03761	9.9
123.00877	1.4
123.04593	0.2
124.01700	1.2
125.02467	11.0
126.02808	0.2
127.00340	0.2
129.01926	0.2
131.03532	1.6
133.02902	0.3
134.03809	0.2
135.04546	5.6
136.01680	0.7
137.02467	4.2
137.06096	1.1
138.03217	0.4
139.00363	0.6
139.04007	0.3
140.01172	0.5
141.01950	0.2
146.03752	0.5
147.04601	0.3
149.02487	3.7
149.04552	2.2
149.05894	0.3
150.03246	14.1
151.00441	1.8
151.04013	1.0
153.05612	0.2
154.02736	0.9
155.03448	0.2
161.02472	1.1
161.04620	0.4
161.05951	0.2
163.00439	0.2
163.04066	0.4
164.01180	0.4
164.04799	2.0
165.01958	1.8
165.05589	14.6
166.06252	1.6
167.07153	100.0
168.00670	1.7
168.04315	0.6
168.07501	5.4
169.01440	15.2
170.01790	1.1
176.04782	0.7
177.05460	0.3
178.99863	1.3
179.03528	1.2
179.07132	2.6
180.04288	3.0
181.01503	0.3
181.05096	1.1
181.08730	0.3
182.05859	9.9
183.02931	0.3
183.06493	1.7
191.03596	0.4
191.05629	0.9
191.07164	0.5
192.04303	0.4
193.01483	2.5
193.03294	0.4
193.08644	0.2
194.05878	1.7
195.02968	0.4
195.06644	11.7
196.06976	0.8
197.08206	9.6
198.08589	0.7
207.06618	0.5
209.08211	5.7
210.05363	0.8
210.08589	0.5
211.02489	6.3
212.02840	0.4
217.05037	0.4
219.06638	0.3
221.08157	1.0
225.07687	4.6
226.07970	0.3
227.12946	0.4
233.08307	0.3
241.03502	0.5
253.03667	0.2
269.04541	0.3
271.04559	4.4
272.05011	0.3
287.14966	0.2
313.05768	0.9
313.10907	0.3
316.02249	0.7
331.06653	0.3
343.11841	0.7
345.13477	0.3
357.13300	0.3
382.42844	0.2
391.14240	0.2
395.07785	0.8
397.22513	0.5
409.94812	0.2
413.08777	3.0
414.09048	0.4
421.15155	0.8
423.05539	1.2
437.10938	0.8
483.07809	3.8
484.08005	0.4
494.81818	0.2
529.26361	0.4
541.20795	0.7
553.20654	0.2
589.12146	16.2
589.23444	3.8
590.12524	3.5
590.23773	0.7
593.38538	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
55.53069	0.2
57.03443	0.3
58.00587	0.3
59.01381	8.3
61.88839	0.2
61.98828	4.1
63.99248	0.3
64.41370	0.2
65.00310	0.5
67.01886	0.3
69.03461	0.4
70.01110	0.8
71.01390	4.3
72.99313	0.7
73.02953	0.6
83.01404	0.8
83.05039	0.2
85.02975	1.6
87.00888	0.9
88.98833	0.4
89.02454	4.6
93.03468	1.1
95.01423	0.6
96.96037	0.7
97.02975	0.7
98.20654	0.3
99.00880	0.7
101.02457	3.1
107.01408	2.8
108.02191	0.6
109.02969	0.9
109.25827	0.2
111.00905	0.7
111.04533	0.7
113.02481	2.4
116.92866	0.7
119.03492	0.8
119.05028	0.7
121.02961	2.2
122.03757	10.8
123.00887	2.4
123.04568	0.5
124.01691	1.3
125.02466	19.6
126.02798	0.8
131.03516	3.3
133.02998	0.4
134.03722	0.3
135.04549	6.3
136.01692	0.4
136.04913	0.3
136.98911	0.4
137.02464	4.8
137.06117	1.0
138.03247	0.7
139.00414	0.7
139.03995	0.7
140.01207	0.8
140.96799	0.2
141.01958	0.3
145.03061	0.3
145.08769	0.2
146.03732	0.7
147.04483	0.3
149.02478	4.3
149.04539	3.9
150.03246	14.4
151.00397	3.5
151.04063	1.5
151.27634	0.2
153.01944	0.6
154.02782	1.1
161.02466	1.5
161.04564	0.5
163.04033	0.4
164.01146	0.6
164.04846	2.2
165.01964	2.1
165.05591	15.8
166.06340	1.4
166.99883	0.7
167.07150	100.0
168.00659	3.6
168.04294	0.6
168.07495	4.7
169.01437	28.1
170.01773	1.3
173.06139	0.3
175.04024	0.3
176.04802	0.9
177.01950	0.4
177.05666	0.6
178.99863	2.7
179.03525	1.6
179.05653	0.4
179.07115	3.2
180.04312	3.0
180.07590	0.3
181.01460	0.7
181.05051	1.8
181.08745	0.3
182.05862	13.7
183.02937	0.5
183.06496	1.7
191.03729	0.3
191.05624	1.7
191.07236	0.8
192.04245	0.3
193.01453	4.4
193.03444	0.5
193.05107	0.3
194.01811	0.4
194.05801	1.5
195.02939	0.4
195.06625	12.1
196.07047	1.0
197.08203	13.9
198.08585	0.9
207.06694	0.6
208.64011	0.2
209.04520	0.3
209.08202	5.8
210.05333	0.8
210.08673	0.2
211.02486	12.1
212.02872	0.4
215.07120	0.4
217.05049	0.6
219.06618	0.5
221.08252	0.9
223.41605	0.3
225.07674	4.9
225.09692	0.4
227.12918	0.7
233.08240	0.5
235.02452	0.3
241.03539	0.8
253.03613	0.4
269.04590	0.6
269.13885	0.3
271.04550	8.1
272.04977	0.4
275.02124	0.3
287.14984	0.6
295.04736	0.3
300.99759	0.5
313.05649	1.6
316.02234	0.8
331.06808	0.9
343.11697	1.3
345.13419	0.6
357.13495	0.3
391.14087	0.7
393.15768	0.3
395.07782	1.8
397.22302	0.7
413.08762	5.8
414.09021	1.2
421.15164	0.6
423.05597	1.8
437.10959	1.6
449.20456	0.5
483.07791	7.1
484.08078	1.1
529.26294	0.6
541.21088	0.9
571.23950	0.3
589.12097	28.0
589.23505	4.6
590.12469	5.7
590.23401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.6
61.98834	100.0
69.03461	2.6
69.55775	2.7
69.56205	3.3
71.01396	2.6
75.00882	9.6
76.01241	0.6
78.95924	1.4
81.03471	0.8
83.01397	0.8
83.05054	3.1
89.02489	1.0
95.05024	0.7
96.96036	1.8
97.06638	0.7
98.20623	1.3
99.00930	0.9
109.02814	0.6
109.06669	0.8
111.00969	0.6
123.08216	1.1
125.09734	3.3
125.10669	0.6
151.11319	2.8
153.12863	1.2
161.09744	3.7
163.11317	2.1
165.12881	1.2
171.10252	0.9
179.10788	10.5
191.10748	0.8
197.11850	40.7
198.12190	2.9
209.11833	34.6
210.12155	2.2
223.09796	1.6
227.12883	3.7
235.17047	0.9
241.10799	5.1
259.20056	0.8
297.13483	1.7
315.14462	5.5
471.55582	0.7
507.26303	0.7
525.27026	78.1
526.27289	13.7
589.32678	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	588.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.9
60.01740	0.5
61.98831	11.2
62.09620	0.4
66.91717	0.4
67.01891	0.8
69.37315	3.6
69.37748	1.5
71.01385	6.9
73.02954	1.9
73.42334	0.4
83.01404	1.4
83.04597	0.4
85.02949	2.4
89.02460	3.2
95.01408	2.0
97.02925	0.7
97.14107	0.4
98.20692	0.8
99.00867	0.5
101.02457	4.7
107.01409	1.8
108.02200	0.9
109.02970	1.4
111.00893	1.3
113.02489	2.8
119.03520	1.2
121.02953	0.4
123.00912	8.6
124.01740	0.7
125.02464	9.0
126.02851	0.8
131.03531	0.6
132.16708	0.4
135.00894	0.5
136.98853	0.9
137.02457	1.9
138.03265	0.8
138.05586	2.4
139.00375	2.6
140.01178	2.4
141.01938	1.5
146.03767	1.3
149.02438	0.8
150.03227	1.4
151.00385	5.4
151.04092	0.9
152.01062	0.4
153.01932	0.9
156.06664	1.6
161.04655	0.8
163.04010	0.5
164.04768	0.5
165.05612	1.7
166.02760	0.6
168.00676	3.0
169.01451	12.8
170.01764	0.6
179.07120	2.2
181.05084	1.6
182.05859	6.3
186.46599	0.5
195.06720	0.8
197.08215	6.2
209.11821	0.6
211.02448	3.0
215.10194	0.5
225.14980	0.9
227.12912	4.8
271.04501	3.4
271.92557	0.4
272.04858	0.9
300.10922	3.0
313.05615	1.0
318.11932	3.6
319.12674	0.5
360.12900	2.6
391.14359	0.5
397.22452	1.1
443.11777	1.0
525.23376	100.0
526.23700	18.0
529.26599	1.6
541.20819	0.8
570.25671	1.5
588.12305	0.9
588.26831	16.4
589.26483	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	587.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72451	0.8
59.01377	100.0
60.01706	1.5
61.98827	40.2
69.03458	0.8
71.01386	1.1
71.66187	1.1
71.66552	1.1
78.95929	1.3
83.05035	2.1
94.32402	1.0
95.05022	1.0
96.96024	2.3
97.06560	0.9
99.00875	1.0
99.92574	1.0
115.92072	2.6
116.92889	1.2
143.10802	1.9
171.10275	2.3
183.13928	2.5
209.11836	33.7
210.12129	2.8
211.13397	46.9
212.13737	2.6
227.12941	4.2
249.15053	1.3
277.62173	0.9
330.36484	1.0
349.79990	0.9
358.01395	0.9
477.28546	2.1
495.29849	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	588.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41543	0.4
53.81490	0.3
55.01873	0.3
59.01383	8.5
61.98832	18.2
63.99224	0.3
67.01904	0.6
69.49393	3.2
69.49980	0.4
71.01389	6.2
72.99312	0.7
73.02932	1.3
79.01886	0.7
81.03449	0.3
83.01390	1.4
85.02964	2.5
87.00881	0.4
89.02449	2.8
95.01408	1.6
97.02953	0.7
101.01828	0.5
101.02454	3.2
107.01384	1.8
109.02972	0.4
111.00903	1.5
112.04044	0.6
113.01789	0.3
113.02460	2.2
114.61703	0.3
119.03493	0.9
121.02998	0.5
123.00903	9.7
124.01689	0.7
124.74986	0.3
125.02465	12.1
126.02772	0.9
131.03569	1.9
135.04539	0.9
136.98840	1.0
137.02425	0.9
138.03221	1.5
139.00407	3.0
140.01183	2.2
141.01996	1.5
149.04555	0.8
151.00392	7.7
152.00716	0.4
153.01897	0.7
155.10788	0.7
161.04611	1.8
163.04063	0.4
165.01917	4.2
165.05548	0.8
166.02313	0.9
168.00650	2.6
169.01445	14.1
170.01839	1.7
179.03497	0.7
179.05592	0.8
180.04289	2.6
181.04805	1.0
183.06641	13.7
191.05562	0.5
195.06592	2.5
196.06972	0.9
199.09799	0.4
210.05389	0.4
211.02473	0.8
211.06180	0.4
225.07669	1.7
226.08070	1.1
227.12828	0.4
229.03554	0.3
271.04645	0.4
298.78424	0.3
313.05624	1.2
361.16382	0.4
362.16678	0.9
397.22250	3.1
404.09534	0.3
459.36710	0.3
525.23376	100.0
526.23700	14.9
529.26740	3.5
540.22955	1.5
544.24860	0.4
570.24512	0.7
588.10840	1.4
588.25513	1.2
589.28241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13007	0.1
59.01381	0.8
61.98831	100.0
62.53327	0.1
62.98534	0.4
63.99257	0.8
65.39511	0.1
71.01398	0.4
71.22644	0.1
73.02971	0.1
85.02981	0.2
89.02459	0.2
93.46076	0.1
100.04848	0.1
101.02464	0.2
107.01392	0.1
113.02468	0.1
123.00923	0.3
125.02461	1.0
139.00343	0.1
142.18842	0.1
145.46733	0.1
149.02461	0.1
150.03293	0.3
151.00406	0.3
165.05624	0.4
168.00639	0.1
169.01431	1.2
170.01973	0.1
181.05139	0.2
195.06761	0.3
207.14180	0.1
269.13858	0.1
391.17831	0.2
454.07806	0.1
473.20383	0.2
523.13953	0.2
523.21759	3.0
524.22211	0.6
526.36047	0.2
539.23956	0.1
586.25562	0.2
587.25549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03441	0.3
58.00604	0.4
59.01380	17.6
61.73335	0.2
61.98830	9.2
65.31236	0.2
69.03461	0.5
69.60600	1.9
71.01388	10.0
71.86325	0.2
72.99326	1.1
73.02944	1.7
78.95923	0.6
83.01402	0.5
85.02954	3.2
85.50560	0.2
87.00879	0.5
88.98804	0.5
89.02457	11.9
90.02805	0.3
96.96005	0.7
97.02961	0.8
99.00897	1.1
99.04560	0.3
101.02459	7.7
113.02464	1.9
119.03519	0.6
123.00894	0.5
125.02470	5.1
129.01958	0.4
131.03525	12.6
132.03815	0.3
137.02487	0.3
137.56892	0.2
138.42201	0.2
139.00420	0.2
141.02005	0.2
143.03488	0.4
144.59811	0.2
147.11839	0.3
149.04570	8.0
150.04932	0.2
151.00327	0.2
152.99625	0.4
161.04578	0.5
168.00510	0.3
169.01421	0.6
171.10333	1.0
173.04620	0.3
188.13817	0.2
191.05626	6.4
197.11845	0.6
209.11813	0.6
211.02484	0.3
211.13412	0.2
223.13237	0.3
225.11316	0.5
233.15466	100.0
234.15800	7.9
234.18173	0.2
242.23419	0.2
247.17183	0.3
257.21146	0.3
275.07700	0.5
275.16650	0.3
293.08777	5.4
293.13959	0.4
294.09131	0.4
407.20670	0.3
455.23059	0.5
527.24847	7.2
528.25238	1.4
530.04492	0.2
543.10132	0.3
587.22620	0.4
587.31598	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	586.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82732	0.1
59.01379	2.1
60.01718	0.1
61.98832	100.0
62.98544	0.3
63.99261	0.2
71.01388	0.8
72.99311	0.1
73.02946	0.3
83.01402	0.2
85.02980	0.3
87.00878	0.2
87.04513	0.1
88.98836	0.2
89.02454	0.6
93.03475	0.2
96.96040	0.1
97.02993	0.1
98.20629	0.2
99.59421	0.1
101.02458	0.6
107.01408	0.1
107.05039	0.8
108.02207	0.1
109.02959	0.1
111.00916	0.2
113.02444	0.3
119.03522	0.1
119.05069	0.1
121.02984	0.5
122.03756	0.6
123.00925	0.4
123.04549	0.7
124.04859	0.2
125.02465	1.2
131.03516	0.2
135.04550	0.1
136.04050	0.2
137.02477	0.3
137.09755	0.1
139.00447	0.2
149.02481	0.3
149.04613	0.1
150.03220	0.4
151.00395	0.2
151.04077	0.2
152.01215	0.1
153.01898	0.1
153.05598	1.0
154.05992	0.4
155.10838	0.5
163.04039	0.1
165.02003	0.3
165.05589	0.8
166.06319	0.3
167.03589	0.1
167.07144	0.1
169.01451	1.2
170.01778	0.1
175.02518	0.1
177.01991	0.1
178.68488	0.1
180.04269	0.3
181.05080	0.1
181.08696	0.2
193.05066	0.2
195.02844	0.1
195.06683	0.4
199.09802	0.2
207.13960	0.1
209.11911	0.3
211.02475	0.1
219.08690	0.1
225.07678	0.3
225.14948	0.1
227.12859	0.8
228.13245	0.2
229.08713	1.4
255.06595	0.2
264.10150	0.1
269.13821	0.2
271.04797	0.1
273.07669	1.3
275.01950	0.1
287.14987	1.0
288.15207	0.1
300.99918	0.3
302.00439	0.1
306.07690	0.1
313.05817	0.2
314.11780	0.1
389.18115	0.1
435.13065	1.4
449.20432	0.3
459.57571	0.1
523.21509	0.8
524.21954	0.2
538.21643	0.1
539.21716	0.1
543.15063	0.2
545.76495	0.1
556.22589	0.1
568.23663	0.1
569.22778	0.3
586.25781	1.6
587.14044	1.8
587.24994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
61.24021	0.2
61.98831	100.0
62.53427	0.2
68.12340	0.2
71.01378	0.4
71.68098	0.3
73.36466	0.2
78.03054	0.2
78.10849	0.2
78.95937	0.2
96.96035	0.6
101.16256	0.2
199.01265	0.2
201.44623	0.3
211.13464	0.3
282.72144	0.2
284.02423	0.2
307.22946	0.4
319.79968	0.2
379.73700	0.2
429.88879	0.3
446.02750	0.2
586.31488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
59.70405	0.1
61.98831	100.0
62.98534	0.2
63.99256	0.3
69.71325	0.4
69.71735	0.2
71.01398	0.3
73.02963	0.1
79.63530	0.1
82.51176	0.1
85.02946	0.1
88.98824	0.4
89.02460	0.2
101.02477	0.2
113.02501	0.1
123.00879	0.1
125.02479	0.2
150.03226	0.2
152.61058	0.1
165.02037	0.1
165.05630	0.1
169.01497	0.2
179.03529	0.1
180.04398	0.1
195.06705	0.3
199.13521	0.1
209.08244	0.1
212.04704	0.1
213.05124	0.1
221.77473	0.1
227.12975	0.2
229.04636	0.1
256.03906	0.1
287.15121	0.3
298.08237	0.1
311.09238	0.2
312.09839	0.2
315.08807	0.1
327.08585	0.1
328.09268	0.1
330.11252	0.2
331.11520	0.4
345.13455	0.9
346.13754	1.5
347.14218	0.1
357.13580	0.1
358.13620	0.4
391.17923	0.1
523.21667	0.5
526.36053	0.2
550.33673	0.1
586.24048	0.2
587.13165	0.1
587.26459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25549	0.2
59.01378	1.1
61.98835	100.0
62.98516	0.2
63.99268	0.3
69.57072	1.6
71.01385	0.8
77.37250	0.1
78.91885	0.2
82.51033	0.2
85.02958	0.3
89.02466	0.2
96.33698	0.1
96.96034	0.2
101.02455	0.3
107.01352	0.3
109.02954	0.2
113.02499	0.3
120.99695	0.2
121.02991	0.2
123.00935	0.7
125.02466	1.7
136.04070	0.2
137.02502	0.4
139.03987	0.2
145.02998	0.3
149.02504	0.3
150.03307	0.3
151.00429	0.5
151.04063	0.2
153.01926	0.3
163.04016	0.2
165.01978	0.6
165.05592	0.5
168.00702	0.3
169.01463	1.7
170.01767	0.2
175.04086	0.2
177.05515	0.2
179.03561	0.2
180.04294	0.5
181.05119	0.3
195.06720	0.7
209.04665	0.2
211.06216	0.3
213.09428	0.2
218.10439	0.3
225.07755	0.4
249.04033	0.2
253.03839	0.2
271.04608	0.2
285.06155	0.3
300.99991	0.3
313.13220	0.4
315.55060	0.2
345.10114	0.2
361.16714	0.3
503.15018	0.2
523.24304	0.4
539.23090	0.3
569.24518	0.2
586.26172	1.9
587.27869	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	586.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80205	0.1
54.89140	0.1
59.01379	0.3
61.98832	100.0
62.98540	0.2
69.91799	0.6
71.01363	0.1
71.24327	0.1
73.02964	0.1
77.72620	0.1
90.69581	0.1
125.02477	0.2
165.05592	0.1
169.01451	0.1
202.93970	0.1
227.12909	0.1
275.96051	0.1
280.39102	0.1
301.00009	0.1
337.34933	0.1
406.28540	0.1
477.52655	0.1
521.20203	0.1
523.21619	0.1
531.06415	0.1
533.20880	0.1
586.24786	0.2
587.19299	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	585.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01380	25.0
60.09328	0.4
61.98832	63.0
71.01391	2.9
73.02950	4.6
81.03457	0.5
83.01396	5.2
83.05022	0.3
85.02949	0.6
89.02474	0.6
93.03521	0.4
95.01382	0.5
95.05035	0.6
97.02972	0.6
97.06620	0.7
99.04498	0.5
101.02457	2.7
113.02460	1.2
121.02962	2.5
122.03755	0.7
123.04539	84.7
124.04881	3.5
125.02487	1.4
137.02467	0.5
147.63878	0.3
151.03992	1.0
152.04771	1.0
153.05591	100.0
154.05922	4.2
165.01927	0.6
165.12881	0.5
167.10745	1.2
169.01479	0.7
180.04321	0.7
195.06628	2.8
207.14084	0.7
209.11813	1.9
223.13506	0.4
225.07668	0.9
225.14969	2.7
227.12903	12.9
228.13174	0.7
233.11729	0.7
251.12816	1.1
269.13980	2.8
287.14975	5.6
288.15436	0.6
293.13818	0.4
297.09756	1.6
300.99826	0.5
315.10840	4.0
357.11951	4.7
358.12268	0.6
371.17297	0.6
431.19278	4.0
432.19431	0.6
432.87225	0.4
525.35474	0.9
567.24609	3.9
585.25549	68.8
586.25854	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	585.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01914	0.9
55.01849	1.3
57.03431	2.5
58.00587	8.3
59.01380	25.0
60.99286	1.1
61.98834	96.5
62.98520	1.1
63.99254	1.1
64.04373	0.9
65.25742	0.8
68.08070	0.8
69.03442	2.1
69.47791	9.7
71.01041	1.0
71.01389	13.8
72.99284	3.1
73.02959	5.1
75.00856	2.9
75.23325	0.8
78.91885	7.8
81.03476	1.2
83.01364	3.6
83.13274	0.8
85.02961	6.0
87.00875	5.2
88.98794	3.8
89.02431	4.2
94.23158	1.0
95.01372	1.9
95.04971	1.1
96.96008	5.4
97.02069	1.1
97.02921	2.0
99.00883	2.2
101.02451	7.7
107.01351	1.7
108.02149	1.4
109.02956	2.4
111.00893	1.7
111.08127	3.1
113.02450	5.7
116.99569	0.9
117.03478	1.3
119.03493	0.9
119.04970	1.7
121.02968	7.3
122.03696	3.9
123.00877	8.5
123.04529	4.5
124.01628	4.0
125.02473	14.1
135.04515	2.1
137.02414	2.7
137.06065	1.8
139.00372	1.5
139.07610	1.0
140.01120	1.7
143.03506	1.4
145.02962	4.6
149.02466	16.2
149.09673	1.0
149.99559	2.8
150.03250	100.0
151.00378	6.6
151.03760	5.6
152.01079	2.0
153.01852	1.2
155.10757	1.7
159.02971	1.1
161.02412	2.9
161.04639	1.8
162.03252	6.2
163.03944	4.3
164.04855	6.4
165.05594	90.6
165.12875	20.2
166.05896	4.4
166.13248	1.6
168.00685	9.7
169.01451	11.5
177.01894	2.0
177.05507	3.4
179.03369	0.9
179.07048	1.5
179.14322	1.0
180.04311	9.8
181.04846	1.9
183.13919	39.9
184.14203	2.2
189.12852	1.3
193.04967	1.0
195.06644	60.4
196.06891	3.2
197.11728	1.0
197.15331	1.4
199.57758	0.9
200.48947	0.9
203.14305	2.1
207.13855	2.9
209.11853	2.0
217.06595	1.5
218.79283	1.1
221.15369	3.8
223.13287	2.3
227.12892	18.8
228.13116	1.8
231.13791	1.4
233.11725	3.8
237.14967	0.9
249.14993	2.1
251.12912	7.3
263.12762	1.9
265.14435	4.3
269.13828	1.2
275.12741	2.6
293.11139	1.2
293.13965	15.5
311.14874	1.3
315.04956	1.0
327.10870	7.8
344.59558	1.2
357.11804	2.1
371.17099	8.7
416.17905	1.3
443.19293	5.0
467.27649	1.1
504.19931	4.1
504.70035	3.3
505.20407	2.0
522.20392	1.5
523.21790	30.1
525.30225	1.2
537.23462	30.3
538.23218	4.0
549.22797	2.6
549.30927	1.3
567.24579	38.3
568.24963	6.0
585.25232	85.8
586.25623	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	585.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.1
61.98833	3.5
70.76052	0.9
71.01377	3.4
73.02946	1.3
81.03450	1.3
83.01391	1.2
85.02963	3.1
91.63216	0.5
93.03456	0.6
95.01384	1.6
98.20539	0.4
99.04518	0.4
101.02439	1.7
104.23122	0.4
107.05077	0.6
108.02187	54.2
109.02975	44.7
109.03531	0.8
109.03751	1.0
109.11366	0.4
110.03322	1.1
113.02472	1.2
121.02970	1.2
123.00895	1.5
123.04514	1.0
135.04538	1.1
151.04002	1.5
152.01172	67.6
153.01964	30.0
154.02267	0.9
161.04532	1.4
163.04028	1.8
165.01921	1.1
165.12863	0.4
186.60797	0.4
188.79190	0.4
207.13742	0.6
209.11845	1.7
213.07362	0.4
225.14941	0.6
227.12941	3.7
253.07230	0.5
271.07962	0.4
297.06082	0.6
315.07202	7.6
357.08246	6.0
358.08621	0.8
507.18604	0.9
523.21661	1.4
525.20325	1.8
541.22888	2.8
567.20715	4.2
568.20935	0.5
585.21899	100.0
586.22235	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	585.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01378	3.3
60.99311	0.6
61.29430	0.3
61.98832	6.9
71.01387	2.4
71.66764	0.6
72.99326	0.3
73.02951	0.5
74.99073	0.3
75.00845	0.4
78.95927	0.6
79.15504	0.3
80.37305	0.3
83.01396	0.7
85.02956	0.8
87.00900	0.9
88.98815	2.9
89.02448	1.5
93.03492	0.3
95.01450	0.4
96.96017	0.8
97.03001	0.5
98.88258	0.3
101.02475	1.2
107.05028	0.5
107.78365	0.3
109.02966	0.8
111.00892	0.7
113.02461	0.6
116.92877	1.5
119.03510	0.5
119.04982	0.4
121.02983	0.6
123.00915	1.0
123.04538	0.6
125.02474	2.6
131.03477	0.6
135.04564	0.5
136.98976	0.3
137.02463	19.9
138.03172	1.4
139.00398	0.5
139.04010	0.6
140.01146	0.4
149.02454	2.1
149.06082	0.6
149.99612	0.3
150.03212	1.0
151.00426	0.5
151.04034	5.9
152.01225	0.6
152.04750	0.6
153.05611	1.7
161.02466	5.3
161.06058	0.4
163.00417	0.3
163.04024	0.6
164.04796	3.7
165.01987	2.5
165.04295	0.3
165.05566	1.8
166.02625	0.5
167.03482	1.3
168.00665	0.7
169.01416	2.2
170.01881	0.3
176.01114	0.4
176.04791	3.9
177.01955	4.5
177.05420	0.4
178.02528	0.4
179.03526	7.9
179.07117	5.2
180.04295	2.7
180.07596	0.3
181.05077	7.7
182.05855	100.0
183.06224	4.8
191.03479	0.5
191.07137	2.7
192.04298	6.7
193.04964	1.2
194.05853	10.6
195.06642	9.4
196.07408	2.2
197.08200	97.3
198.08543	5.9
207.06628	9.8
208.07187	0.4
209.08197	49.0
210.05345	1.1
210.08539	2.7
211.02361	0.3
225.07663	5.0
241.00438	0.4
251.09242	5.1
269.10272	1.8
313.05518	0.6
317.19891	0.3
339.12695	0.3
357.11768	1.2
359.13385	0.5
375.14371	1.6
387.14398	1.0
405.15518	1.2
411.04251	0.3
423.16660	10.1
424.16852	0.9
495.15036	1.4
585.13818	0.6
585.23108	2.8
586.21814	0.9
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
59.01379	0.9
60.35099	0.1
61.98830	100.0
62.98544	0.3
69.37536	1.2
71.01385	0.4
77.43616	0.1
82.46175	0.1
85.02970	0.3
89.02470	0.3
101.02486	0.1
110.02515	0.1
119.05024	0.1
123.00894	0.1
123.04464	0.1
125.02482	0.4
151.03995	0.2
153.01997	0.2
165.05537	0.1
169.01414	0.3
171.76169	0.1
195.06720	0.2
244.05161	0.1
283.04745	0.1
310.04770	0.1
524.35101	0.4
584.13422	0.2
584.23016	0.3
585.26025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1252
Annotation	CHEBI:73787
Peak:m/z	Relative Intensity
57.03447	5.0
59.01381	17.4
60.99316	1.1
61.98831	100.0
62.45246	0.6
62.98533	0.7
62.99284	0.6
63.02394	0.6
63.99258	1.3
67.01884	0.7
69.03448	0.7
69.97022	2.1
69.97460	1.8
71.01383	8.7
72.47534	0.5
72.82083	0.5
72.99319	1.2
73.02952	2.7
79.01928	0.7
81.03473	1.5
81.08341	0.5
83.01399	7.3
83.05051	0.8
85.02962	3.7
87.00896	0.6
88.98814	8.2
89.02477	2.3
90.42904	0.5
93.03472	3.2
95.01394	1.8
96.96029	1.5
97.02959	2.0
98.20560	1.2
99.00891	0.9
99.04514	0.6
101.02452	4.2
103.04031	4.4
107.01408	14.3
108.02222	5.2
109.02290	1.0
109.02975	11.8
110.03296	0.8
111.00900	1.7
111.04544	0.7
113.02450	2.7
117.03469	1.4
119.03544	1.2
119.05043	15.7
120.05383	0.9
121.02981	2.0
123.00890	10.8
123.04536	6.8
124.01693	1.8
125.02461	79.0
126.02818	3.1
127.00405	1.2
135.04445	0.9
137.02452	2.6
138.03207	0.7
139.00400	2.5
139.03973	1.1
140.01173	2.4
141.01947	1.5
145.02980	4.7
149.02434	2.2
149.06140	0.8
150.03250	2.9
151.00388	36.8
151.03983	2.3
152.01178	6.8
153.01968	19.8
153.05594	9.4
161.02437	1.0
161.04639	0.8
161.06145	0.9
163.00397	0.6
163.03995	1.2
164.04832	0.9
165.01953	5.2
165.05595	4.5
166.99854	0.7
167.03482	2.2
168.00659	5.2
169.01443	71.0
170.01776	2.9
175.00381	1.8
175.03990	0.6
177.01930	2.3
177.04088	0.6
179.03491	1.5
180.04221	1.0
181.04970	1.4
185.06023	1.5
187.04008	1.1
193.01422	1.7
195.03061	0.7
195.06647	3.9
196.07399	0.6
197.58699	0.5
209.11819	1.3
211.02519	11.2
212.02803	2.3
225.07790	0.6
225.14986	1.3
227.07095	2.0
227.12932	4.2
241.03488	1.7
253.03331	0.6
269.14008	0.9
271.05994	16.6
272.04565	2.7
287.15042	3.4
295.06088	0.7
297.06122	1.3
297.09451	0.8
300.99841	1.1
313.05646	52.1
314.06113	3.6
314.09174	0.8
315.07178	1.0
315.10809	1.7
335.13486	0.8
347.90796	0.6
357.12070	0.7
389.16168	1.1
428.75156	0.6
439.08813	38.8
440.09302	3.7
449.19888	1.4
465.06525	2.2
491.08389	3.5
504.19583	2.4
504.69833	0.9
507.19742	0.8
522.20459	7.5
523.21796	23.7
524.35138	1.0
541.22656	0.7
549.25543	1.5
585.12250	90.3
585.22894	24.2
586.04175	0.9
586.12653	16.1
586.23395	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	584.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
58.08868	0.3
59.01380	22.0
61.98832	100.0
69.03445	0.3
69.23999	0.3
69.48751	2.3
69.49181	0.9
71.01383	4.7
72.99326	0.5
73.02950	2.3
75.00873	0.5
79.74191	0.4
83.01396	0.7
85.02972	2.1
85.36124	0.3
87.00888	0.5
88.94244	0.3
88.98819	0.5
89.02473	1.3
93.03487	0.4
95.01407	0.7
96.96010	0.4
99.00900	0.4
99.04533	0.4
100.68895	0.3
101.02466	3.2
107.01450	0.4
108.02200	2.0
109.03000	2.1
109.06561	0.4
111.00910	0.6
112.04085	1.3
113.02442	1.7
119.03503	0.4
123.00957	1.1
123.04520	0.4
125.02444	2.7
135.04565	1.5
136.01752	0.4
136.04060	0.5
137.02434	0.5
139.11345	1.1
140.01199	0.4
143.03609	0.3
149.02504	0.4
150.03197	2.1
151.00394	0.5
151.03693	0.5
152.01152	2.3
152.07175	0.4
152.15395	0.3
153.01991	2.1
161.04602	1.2
164.04861	0.9
165.02000	1.2
165.05606	2.1
166.05960	0.5
168.00671	0.9
169.01410	3.6
179.03566	0.8
179.10857	0.3
180.04326	0.7
183.10287	1.7
195.06639	2.4
196.07054	0.7
203.05724	0.3
209.11852	1.0
211.02478	2.9
225.07715	0.4
225.11368	0.9
225.15071	1.0
227.12915	4.6
227.14722	0.4
243.12503	0.3
251.11377	0.8
255.77043	0.4
265.38455	0.3
267.12350	0.4
271.04630	4.2
272.05060	0.3
315.07224	0.7
316.07794	0.6
331.06680	1.7
347.70016	0.3
388.15128	0.4
471.18723	0.8
503.24976	0.8
507.20679	0.5
521.20233	1.7
521.26196	23.5
522.26465	3.1
523.35101	0.8
524.19092	0.3
524.35016	1.8
536.20294	1.0
537.21466	0.9
547.20490	0.6
548.21320	0.8
584.24609	3.3
585.25732	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	584.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.6
61.98833	100.0
68.13996	0.2
69.40176	0.2
71.01385	2.2
72.99316	0.4
73.02943	0.6
83.01396	0.4
83.09796	0.3
85.02981	0.8
87.00901	0.6
89.02457	1.5
93.03493	0.3
95.01459	0.2
96.96018	1.6
98.95605	0.3
99.00928	0.4
99.70671	0.2
101.02453	1.2
102.02824	0.3
104.75073	0.2
109.02940	0.2
111.00915	0.3
113.02481	1.0
114.02824	0.3
116.92894	0.8
119.03512	0.5
119.05037	0.3
121.02950	0.3
123.00917	0.7
125.02471	2.1
131.03600	0.4
135.04526	0.4
137.02493	0.6
149.02576	0.4
149.04620	0.3
150.03278	0.9
153.01912	0.2
160.53134	0.3
161.02463	0.3
161.04628	0.3
164.04774	0.4
165.01952	0.4
165.04344	0.3
165.05571	1.2
167.03584	0.5
169.01466	2.1
177.02022	0.4
179.03583	0.6
180.04292	0.3
181.01559	0.3
181.05089	0.3
194.71883	0.3
195.06737	0.7
211.02484	0.5
231.75580	0.2
271.04776	0.4
283.04935	0.4
295.10794	0.4
300.99979	0.6
390.22260	0.3
391.22433	0.3
392.22751	0.6
433.13495	0.5
523.26257	0.4
524.26709	1.3
534.14551	0.3
584.17725	0.8
585.13800	2.1
585.22906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
60.01716	0.2
61.98834	100.0
62.98524	0.2
70.47589	0.4
70.47988	0.4
71.01388	1.4
72.01734	0.2
73.02950	0.2
74.99131	0.1
76.23341	0.1
78.41825	0.2
83.01409	0.3
85.02984	0.6
86.03321	0.2
87.00850	0.3
89.02444	0.9
93.03479	0.2
95.01395	0.2
96.96021	1.0
96.97003	0.4
101.02478	0.6
102.98585	0.2
113.02464	0.7
119.03519	0.3
121.02945	0.2
123.00911	0.3
125.02475	0.8
131.03549	0.3
135.04507	0.2
137.02507	0.3
139.00453	0.2
139.04060	0.2
143.03549	0.2
147.04697	0.2
149.02483	0.2
150.03270	0.5
151.00433	0.2
151.03999	0.2
152.86961	0.2
155.10826	0.2
161.02570	0.2
161.04652	0.2
165.05632	0.8
167.03543	0.3
169.01411	1.0
177.02045	0.3
179.05725	0.3
195.06679	0.5
207.32019	0.1
271.04837	0.2
301.00018	0.2
389.21902	0.2
390.22253	0.6
391.22552	0.7
392.22708	0.9
408.54706	0.2
462.49365	0.2
523.26727	0.3
524.26971	1.2
563.19263	0.2
584.18256	0.2
585.15234	0.8
585.23615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98835	100.0
62.98544	0.2
67.06004	0.1
69.60416	0.8
69.60846	0.4
69.70297	0.1
71.01405	0.3
89.93331	0.1
98.20635	0.3
101.02478	0.2
109.03007	0.2
113.02456	0.1
123.00912	0.4
125.02448	0.7
135.04597	0.2
137.02542	0.2
139.00459	0.3
145.26566	0.1
151.00436	0.2
153.01968	0.5
169.01445	1.1
177.04111	0.2
211.02534	0.4
271.04623	0.2
301.00046	0.5
344.28363	0.1
392.17963	0.2
408.57263	0.1
521.20520	0.7
550.78149	0.2
584.24219	0.5
585.25739	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	584.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.1
57.03459	0.2
59.01375	2.3
60.01683	0.1
61.98830	100.0
62.98536	0.3
69.36926	0.8
71.01383	1.9
72.01720	0.1
72.99300	0.1
73.02955	0.4
83.01400	0.3
85.02943	0.8
87.00881	0.1
89.02445	0.7
95.01395	0.2
98.20592	0.2
99.00881	0.2
100.37452	0.1
101.02454	1.2
101.03080	0.1
107.01456	0.1
112.04057	0.2
113.02467	0.6
113.04633	0.1
119.03535	0.2
119.05052	0.2
123.00894	0.2
123.04562	0.1
125.02471	1.0
126.02799	0.2
131.03514	0.1
137.02481	0.1
151.00375	0.3
153.01987	0.1
153.05608	0.2
161.04579	0.2
163.03999	0.1
165.05624	0.1
168.00696	0.2
169.01442	1.0
170.01810	0.3
171.38889	0.1
172.38708	0.1
179.05675	0.2
195.06708	0.1
199.09787	0.1
211.02516	0.2
271.04654	0.2
287.15121	0.2
313.05734	0.1
360.28574	0.1
361.29608	1.0
362.29828	0.5
521.20215	1.6
522.20850	0.3
523.34790	2.8
524.35083	3.3
525.35535	0.3
536.20294	0.1
540.21716	0.2
584.21368	0.6
585.25134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.0
56.51914	0.6
57.03447	6.0
57.78159	0.5
58.00599	1.4
59.01380	35.3
61.98830	96.4
69.03449	0.8
70.48203	1.7
71.01386	36.3
72.99307	1.6
73.02952	10.9
83.01388	5.7
84.02217	0.6
85.02956	17.3
87.00878	2.2
87.04530	1.5
89.02451	10.7
95.01421	3.1
97.02950	1.2
99.00891	3.8
101.02457	26.9
113.02460	15.6
119.03535	3.9
119.04263	0.7
123.00884	0.8
123.08183	1.0
125.02455	11.2
127.11311	1.1
129.01923	0.8
135.08154	0.7
141.09320	0.6
143.03539	2.0
143.10754	0.7
151.00388	0.8
151.04071	0.7
153.09277	1.0
155.10884	0.7
159.03015	2.1
161.04565	8.3
165.05588	0.7
168.00662	1.7
169.01456	13.8
171.13858	2.0
179.05588	2.7
187.13397	1.3
200.14064	0.7
201.15036	2.7
211.02383	0.6
217.14400	0.9
223.60902	0.6
228.63792	0.6
250.28152	0.5
267.44720	0.6
315.25278	1.3
355.89642	0.5
359.27911	3.4
361.29587	45.6
362.29938	5.5
521.20325	1.2
523.34827	100.0
524.35211	15.3
583.24060	10.2
584.24329	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	584.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02703	0.5
57.03453	0.8
59.01380	19.3
60.01690	0.6
61.98832	100.0
68.99802	0.7
69.03461	0.8
70.09572	0.6
70.75990	1.8
70.76334	0.6
71.01381	6.6
72.99332	0.9
73.02972	2.5
73.49843	0.5
81.03451	0.7
83.01415	2.0
85.02959	4.5
87.00863	1.1
88.98823	1.2
89.02450	2.0
93.03435	0.8
95.01411	2.2
96.96014	1.0
97.62916	0.6
101.02459	2.6
107.01424	3.1
107.05041	1.1
108.02190	27.6
109.02969	21.4
111.00926	2.1
113.02456	2.5
121.02995	1.1
123.00896	7.8
123.04530	1.0
124.01668	1.8
125.02464	22.3
134.03781	2.1
135.00908	1.4
135.04547	9.1
137.02466	1.9
138.02898	0.5
139.00383	2.4
139.04117	0.9
140.01170	1.9
148.01703	0.8
149.02461	0.7
150.02917	0.6
151.00407	4.6
151.04042	1.5
152.01180	33.3
153.01964	16.1
161.04585	1.0
163.04048	2.4
164.04518	1.0
165.00650	1.1
165.01955	13.0
165.05635	1.2
165.12877	0.6
166.02280	4.1
167.03561	1.1
168.00629	7.8
169.01454	28.2
170.01810	1.5
170.44450	0.6
177.01920	0.7
179.03546	4.6
179.07237	0.8
180.04269	6.8
181.01553	0.7
181.04636	3.1
183.92197	0.7
194.05850	0.8
195.03004	1.2
195.06624	7.3
195.94063	0.6
196.06970	4.1
197.04674	0.7
209.11940	0.9
210.05376	1.1
211.02495	40.4
211.09720	0.8
212.02852	1.5
225.07622	3.9
225.14883	1.4
226.08020	2.5
227.07054	0.9
227.12915	4.5
241.03548	2.0
271.04584	52.9
272.04959	4.1
297.06195	2.5
313.05710	2.1
315.07242	4.9
331.06573	4.8
357.08374	3.1
357.15488	2.8
358.15784	3.5
439.31946	0.6
521.20251	84.5
522.20557	12.9
523.21899	1.2
523.34369	1.2
524.35321	2.1
525.19977	0.8
535.21838	0.8
536.22119	16.3
537.22321	0.9
541.13379	2.6
541.22742	2.1
567.21533	2.3
584.11304	0.9
584.23578	3.0
585.12628	2.3
585.21582	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96505	0.6
52.24025	0.5
54.22465	0.5
55.01853	0.8
57.03426	1.6
58.00586	1.0
59.01379	60.8
60.01700	0.6
69.03464	0.5
69.53326	2.9
69.53750	1.4
71.01389	19.4
72.99281	0.9
73.02951	11.3
83.01391	3.3
85.02964	5.1
85.06601	0.6
87.00870	0.8
89.02451	11.9
97.02944	1.2
98.19864	0.7
99.00879	1.0
99.04523	1.0
101.02459	14.4
102.02792	1.0
103.03983	0.7
112.88965	0.5
113.02478	7.4
115.04032	0.8
119.03510	3.4
120.77182	0.6
131.03503	1.2
133.05095	4.4
143.03473	0.7
151.06137	11.7
161.04568	1.0
165.12836	0.8
175.06105	2.2
179.05598	1.9
205.07135	0.7
207.13963	0.8
209.11832	3.6
217.75792	0.6
225.14993	3.9
227.10649	1.0
227.12901	18.6
228.13239	1.0
233.11697	1.0
251.12862	1.4
269.13876	1.5
287.15048	1.7
295.10352	4.2
313.11353	3.9
355.12430	1.7
413.13754	0.5
515.72711	0.6
565.24933	4.3
566.24896	0.6
583.26093	100.0
584.26453	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	583.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20031	0.3
55.01871	0.9
57.03438	1.8
58.00598	1.0
59.01379	47.6
60.01725	0.8
61.91294	0.3
61.98830	100.0
62.98520	0.4
65.00326	0.4
69.03456	0.8
69.36520	0.5
69.36929	2.9
69.51199	0.3
71.01385	21.1
71.05028	0.4
72.01742	0.6
72.99316	1.6
73.02950	5.4
75.00862	0.6
83.01398	3.4
85.02959	8.3
86.03308	0.4
87.00892	1.3
87.04562	0.4
88.98827	0.8
89.02455	9.0
89.02992	0.6
93.03467	2.3
95.01395	2.0
95.05031	0.6
96.96017	0.4
97.02975	0.6
98.20593	0.5
99.00871	1.8
99.04552	1.2
101.02452	13.7
102.02798	0.5
107.01436	0.9
107.05043	18.0
108.02198	0.8
108.05367	0.7
109.02995	1.0
109.08115	0.3
111.00905	1.5
111.04531	0.3
113.02470	8.4
116.92891	0.5
117.03499	0.5
119.03512	2.6
119.05042	0.9
121.02972	4.2
122.03777	4.6
123.00896	2.0
123.04550	1.9
124.01694	1.0
125.02461	7.0
126.02879	0.5
127.00409	0.4
129.01971	0.7
131.03526	1.1
133.03038	0.9
135.04572	2.2
136.01683	3.4
137.02495	1.6
139.00386	0.8
139.04057	0.3
140.01208	0.8
143.03470	0.7
145.02982	2.2
146.20679	0.4
147.04564	0.8
149.02452	8.9
149.04361	0.4
149.06075	0.5
150.03242	24.8
151.00443	1.9
151.04028	8.4
152.01181	1.9
152.99718	0.3
153.01962	0.9
153.05630	1.1
153.09254	0.6
155.10814	0.6
157.12387	0.6
159.03046	0.8
161.02563	0.4
161.04581	2.9
161.05956	0.6
162.03334	0.4
163.04070	1.8
164.04811	2.0
165.01941	1.1
165.05586	26.7
165.12872	0.4
166.02739	2.3
166.05946	1.5
167.03485	1.1
168.00667	2.6
169.01440	7.6
169.02803	0.6
170.01791	0.7
172.05368	0.4
175.04066	0.9
177.02071	0.4
177.05589	0.5
179.03593	0.7
179.05627	0.5
180.04305	2.5
181.05077	3.9
183.03090	0.4
189.05617	1.2
190.06348	1.8
195.06633	16.2
196.07060	1.5
199.09816	0.4
203.05589	0.4
205.05049	0.5
205.08673	0.7
207.13976	1.3
209.11861	1.3
211.02484	8.8
211.09802	1.0
212.02869	0.9
221.08269	0.5
223.13455	0.4
225.15004	1.3
227.12889	7.1
228.13217	0.5
251.12929	1.2
267.33530	0.3
269.14044	0.6
271.04572	10.5
272.05045	1.2
287.15076	1.1
313.09280	0.7
315.07187	0.5
329.10446	1.2
331.06754	2.9
332.07104	0.5
342.11099	0.5
355.10995	0.4
356.12607	0.6
357.09781	0.5
357.13531	3.3
358.13687	0.5
359.28107	0.8
361.29639	5.7
362.30179	0.7
373.13089	0.8
387.14517	7.1
388.14761	1.5
391.22791	0.6
431.19238	1.1
505.19031	1.4
517.19208	0.5
520.25018	1.0
521.20068	3.7
521.26190	8.1
523.34821	58.4
524.35181	11.1
535.19678	11.5
536.20044	3.2
547.21631	2.5
548.22290	0.6
565.22998	1.1
583.24146	23.1
584.12616	0.6
584.23962	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	583.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.8
57.03440	2.7
59.01386	23.9
61.98834	79.0
69.70575	2.7
69.70989	6.4
71.01386	16.6
72.75533	1.3
72.99296	1.5
73.02946	4.2
81.36263	1.1
83.01403	3.5
85.02959	5.1
88.98825	4.2
89.02473	7.1
93.03477	1.6
95.01373	2.5
98.20659	2.2
99.00877	2.8
101.02468	8.4
108.02181	2.1
109.02950	3.8
111.00900	1.4
113.02473	6.1
116.92860	1.5
118.97839	1.1
119.03530	2.1
121.02998	6.9
122.03747	6.9
123.00928	2.1
125.02477	5.9
135.04527	1.8
137.02483	2.7
147.04562	2.7
150.03323	1.3
151.00414	1.4
152.01154	2.3
153.01952	5.5
161.06024	1.7
165.05594	12.8
166.06061	1.3
168.00610	1.6
169.01434	5.4
179.07130	3.3
205.04926	1.3
211.02461	3.0
220.65854	1.3
227.12830	1.2
271.04572	1.7
288.38547	1.3
299.98981	6.8
300.99863	5.1
328.13113	1.4
343.15225	2.4
346.14243	5.5
347.14621	1.8
361.16580	45.0
362.16971	6.1
391.23303	4.5
462.97629	1.3
493.23001	5.8
521.16577	1.4
523.21777	100.0
524.22119	18.2
583.07239	6.7
583.25128	9.4
583.32819	2.2
584.24902	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
56.39164	0.6
57.03450	1.5
59.01380	74.5
60.01716	0.9
61.98836	1.0
69.70161	3.5
69.70583	1.9
70.58708	0.6
71.01385	24.1
72.99312	0.8
73.02951	15.6
75.00920	0.6
83.01406	3.2
85.02956	5.9
87.00868	1.7
89.02451	17.3
93.48682	0.6
95.01414	1.0
97.02940	1.0
98.19904	1.3
99.00874	0.9
99.04542	1.7
101.02454	17.6
111.00883	0.7
113.02462	7.5
115.03980	0.9
119.03503	6.4
125.02373	0.7
131.03508	1.4
133.05089	5.2
143.03520	0.9
151.06149	14.1
161.04562	1.8
163.88844	0.6
175.06137	2.5
179.05612	3.2
193.18307	0.6
205.07060	1.0
207.13979	1.7
209.11913	3.2
220.09615	0.7
225.14978	3.3
226.15364	0.7
227.12912	20.0
228.13254	1.6
251.12903	0.9
269.13892	1.3
287.14890	2.1
295.10394	3.5
313.11389	5.8
355.12564	0.9
565.24933	4.4
583.26093	100.0
584.26434	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	583.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08151	0.4
59.01374	3.8
61.98831	49.6
63.99251	0.4
69.03463	2.9
70.03804	0.3
71.01382	2.0
72.99319	0.4
73.02948	0.5
75.00885	3.4
81.03478	0.8
83.01382	2.2
85.02967	1.1
87.04518	3.0
88.98823	1.0
89.02460	0.9
95.01412	1.3
97.02957	3.5
101.02451	1.3
107.01422	1.9
108.02190	0.5
109.02977	0.8
113.02486	0.9
121.02972	1.0
123.00896	7.1
123.04522	1.0
124.01681	21.6
125.02464	55.2
126.02781	1.8
130.83286	0.4
135.04555	0.4
135.08192	0.4
136.01732	0.4
137.02473	2.2
137.09691	0.6
149.99606	31.5
150.06868	0.8
151.00389	5.0
151.03986	0.6
151.07643	0.6
155.10808	3.3
161.04541	0.4
165.01950	1.3
165.09225	0.4
166.99890	1.0
167.03490	1.0
168.00656	65.5
169.01410	8.6
176.74103	0.3
177.01939	0.4
179.03551	0.7
180.04285	0.4
183.02937	0.5
193.01425	0.5
195.06667	1.0
199.09795	1.5
199.13426	0.8
201.01347	0.3
203.10760	0.6
211.02470	0.7
221.11792	1.1
287.23724	0.4
313.05643	3.2
331.06793	2.3
466.33078	0.4
523.34637	1.8
527.88525	0.5
535.19440	0.5
583.23895	100.0
584.24176	21.3
595.53741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64482	0.3
57.03429	0.4
59.01384	4.9
61.98830	6.0
68.00617	0.3
69.03433	0.4
71.01386	3.7
71.72942	0.5
72.99291	0.3
73.02944	1.2
83.01411	0.5
85.02961	1.8
87.00882	0.7
88.98813	0.5
89.02460	2.2
93.03483	0.8
95.01414	0.8
97.02970	0.6
101.02444	1.6
106.75279	0.3
108.02215	0.4
109.02982	2.5
111.00876	2.4
113.02442	1.3
119.03532	1.0
119.05024	0.6
120.99690	0.5
121.02970	0.4
123.00887	1.1
123.04552	0.9
124.01690	2.9
125.02469	6.0
125.03300	0.6
131.05124	0.3
135.04494	0.9
136.01648	0.6
137.02464	15.6
138.03273	5.9
139.00443	0.6
139.04037	7.2
139.11198	0.3
145.03008	0.5
147.04523	0.6
149.02472	0.5
149.04614	0.3
149.06055	0.7
150.03256	1.2
151.00391	0.6
151.04024	4.7
151.07640	0.4
152.04814	3.9
153.01958	0.9
153.05594	1.3
154.02719	0.3
155.10803	0.6
159.04509	0.4
161.02440	1.6
161.04628	0.6
161.06009	0.6
162.03229	1.0
163.04037	1.8
163.06152	0.3
164.04878	1.4
165.01982	0.4
165.05556	2.2
166.02708	0.9
166.06332	0.4
167.03468	0.8
167.07234	0.6
168.00681	0.5
169.01410	2.3
170.02216	0.9
175.04005	1.1
176.04739	1.2
177.05573	3.8
178.06282	0.5
179.03554	1.4
179.05699	0.4
179.07172	0.9
179.42163	0.3
180.04311	5.0
181.05092	8.6
182.05431	0.8
184.03786	0.8
188.04756	0.4
189.05650	0.5
190.06322	0.7
191.07144	0.7
192.04269	0.4
193.05153	0.5
194.05841	4.4
195.06630	19.1
195.82649	0.3
196.03749	0.3
196.06958	1.0
203.07036	0.4
205.05190	0.5
205.08765	0.6
206.05989	0.7
207.06613	3.5
208.07260	0.8
209.08205	4.4
211.02518	0.6
211.06102	2.2
221.08200	0.6
225.07668	0.8
227.12898	0.6
236.06912	0.5
237.07608	0.9
239.09096	0.4
253.10910	0.6
271.04593	0.5
289.07080	0.4
289.18631	0.4
299.99237	1.2
300.99960	1.8
301.07291	0.4
331.12012	0.4
343.11963	0.5
361.12836	3.9
361.16721	0.5
362.13428	0.5
373.12854	0.5
375.14313	2.3
376.15277	0.4
387.13089	0.5
391.13998	11.7
391.22073	0.5
392.14481	1.4
405.15750	0.7
406.16318	15.2
407.16562	2.5
421.18686	100.0
422.19052	12.8
431.12000	0.5
495.09952	0.4
521.07745	0.3
539.08325	0.9
583.06451	0.5
583.16193	0.4
583.24622	4.7
584.25684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03450	0.7
59.01379	16.6
61.98832	100.0
69.03468	2.6
69.38195	0.6
69.38541	5.1
71.01389	6.0
72.99345	0.5
73.02947	2.6
77.13323	0.4
78.90922	0.4
81.03465	0.8
83.01403	2.8
84.18961	0.4
85.02962	2.3
87.00872	0.6
88.98809	1.2
89.02454	2.0
93.03473	0.6
95.01405	2.0
97.02956	2.2
98.20644	0.9
99.00893	0.4
99.04518	0.9
101.02452	3.1
107.01406	1.2
107.05038	17.0
108.02242	0.9
108.05392	0.9
109.02988	0.7
109.06633	0.7
113.02438	2.5
121.02997	1.3
123.00900	8.7
123.04580	1.1
123.92591	0.4
124.01681	19.0
125.02464	61.3
126.02798	2.3
136.01639	0.6
137.02483	3.3
137.09773	0.5
139.00371	0.6
139.03998	0.6
149.02432	0.9
149.99605	28.9
150.03265	1.3
151.00395	3.4
151.04024	7.1
152.07216	0.8
153.01862	0.4
161.04564	1.1
165.05634	0.9
167.03528	1.6
168.00658	62.9
169.01436	14.5
170.01837	0.6
179.03503	0.9
179.05705	0.6
180.00513	0.4
193.01315	0.6
195.06641	1.3
207.13905	1.2
209.11833	1.7
211.02444	1.0
212.71074	0.4
225.14949	0.8
227.12891	3.3
233.11826	0.7
251.12823	0.8
287.07687	1.2
287.15027	0.9
293.44034	0.4
313.05780	2.2
331.06686	4.2
360.28281	0.8
361.29599	2.5
431.19016	1.0
443.58817	0.4
521.20001	0.9
522.33301	1.0
523.18195	1.0
523.34790	6.4
524.34821	0.6
539.25507	0.7
565.22711	0.5
582.35352	0.6
583.20081	92.5
584.20416	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	582.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00617	0.2
58.71817	0.1
59.01377	2.7
60.01721	0.2
61.98832	100.0
62.98536	0.3
66.27100	0.1
71.01382	2.1
71.66914	0.1
72.01737	0.2
72.99323	0.3
73.02956	0.6
75.00870	0.4
83.01411	0.2
85.02930	0.7
87.00893	0.3
87.70124	0.1
88.42854	0.1
88.98818	0.5
89.02454	1.6
93.03484	0.2
95.01395	0.4
96.96015	0.3
97.02997	0.3
99.00911	0.2
101.02464	1.4
111.00916	0.6
113.02464	0.9
116.92900	0.5
119.03550	0.4
119.05042	0.1
123.00916	0.6
123.04552	0.2
125.02464	1.4
127.00420	0.1
131.03549	0.4
137.02493	0.2
139.00449	0.4
149.02464	0.2
149.04620	0.3
149.99573	0.2
151.00407	0.3
151.04024	0.2
161.04599	0.5
165.01950	0.3
165.05612	0.3
168.00665	0.3
169.01440	1.6
175.02562	0.2
179.03423	0.2
179.05685	0.2
180.04268	0.4
195.06644	0.8
211.02609	0.3
222.15079	0.2
225.15045	0.2
270.05099	0.2
271.04675	0.5
273.00458	0.3
274.01318	0.2
275.02002	0.3
289.03534	0.3
317.10461	0.3
325.11414	0.2
347.11453	0.2
352.42072	0.1
388.20438	0.2
389.21756	0.5
390.22073	1.3
391.23459	1.0
405.48682	0.1
419.11105	0.2
420.11176	0.7
421.07755	0.4
431.11520	0.2
493.13617	0.3
519.17480	0.2
521.25031	0.3
522.26031	1.9
523.27826	1.2
539.08533	0.3
553.19244	0.2
582.15210	0.3
582.23932	0.4
583.15387	0.6
583.25055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98832	100.0
62.98517	0.2
65.82851	0.2
69.56310	1.2
69.56739	0.5
74.13187	0.2
78.95904	0.6
84.95280	0.2
96.96024	0.2
119.48505	0.2
152.99634	0.4
158.78069	0.2
279.23322	1.3
280.23727	0.7
294.30231	0.2
459.17245	0.2
485.32883	0.3
504.24969	0.2
504.30798	1.0
505.32001	0.4
507.31833	0.3
515.95813	0.2
581.34283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72140	0.1
59.01368	1.1
61.98831	100.0
62.98548	0.1
71.01414	0.1
71.12559	0.2
71.12962	0.3
78.95923	0.5
96.96059	0.2
135.06720	0.1
152.99593	0.4
228.10190	0.1
248.08455	0.1
279.23264	2.1
280.23563	0.9
281.24045	0.5
282.24338	0.5
450.05475	0.1
504.30847	0.9
505.31274	0.2
507.31998	0.5
520.61377	0.1
581.26520	0.3
581.33636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.1
57.03450	0.3
58.00625	0.1
59.01378	4.3
60.01715	0.2
61.98832	100.0
62.98530	0.2
63.04433	0.1
71.01393	2.2
72.01730	0.2
72.99318	0.3
73.02946	0.9
75.00893	0.2
78.03423	0.1
83.01410	0.4
85.02972	0.9
87.00916	0.3
88.98828	0.8
89.02446	1.1
90.02792	0.1
95.01396	0.2
96.96017	0.2
98.20618	0.3
99.00902	0.2
99.04520	0.1
101.02453	1.5
102.02817	0.1
107.01441	0.2
108.02233	0.2
109.02983	0.3
113.02465	0.9
116.92897	0.1
119.03505	0.2
121.03014	0.1
122.06177	0.1
123.00942	0.4
123.04424	0.1
124.01739	0.1
125.02460	2.3
126.02782	0.3
127.00462	0.1
131.03537	0.5
135.04573	0.1
137.02428	0.3
140.01190	0.2
149.02538	0.1
149.04652	0.2
150.03299	0.2
151.00392	0.4
151.04044	0.2
152.01173	0.2
159.43179	0.1
161.04628	0.4
165.01949	0.6
165.05644	0.2
167.03505	0.2
168.00653	0.5
169.01445	2.2
170.01779	0.5
179.03552	0.2
180.04314	0.4
195.06700	0.5
211.02489	0.9
212.02808	0.4
224.73222	0.1
225.07921	0.2
227.13017	0.2
257.08621	0.1
271.04691	1.3
272.04974	0.7
289.15787	0.1
292.10880	0.1
313.05649	0.2
314.05902	0.2
326.11249	0.2
330.13684	0.1
331.06741	0.3
332.07132	0.4
341.10422	0.4
342.10745	0.4
357.13446	0.5
360.28104	0.1
371.14944	0.2
372.15198	0.7
389.21802	0.3
390.22290	0.5
391.23251	0.2
519.18317	0.7
521.33490	0.5
522.26361	0.3
522.33771	0.9
523.27863	0.2
523.34717	0.9
538.20496	0.4
539.21130	0.1
581.27039	0.3
581.35645	0.8
582.18744	1.1
582.27515	1.7
582.36072	1.0
583.24188	1.1
583.33643	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.2
57.03454	6.2
58.00587	2.5
59.01382	75.9
60.01708	1.0
60.99312	1.6
61.74359	0.8
61.98832	100.0
65.00330	1.1
68.02672	1.1
69.03455	2.4
71.01386	53.1
71.74369	0.9
71.74771	1.3
72.01716	1.6
72.99316	2.6
73.02952	15.9
74.30531	0.9
75.00873	1.9
79.29877	0.8
81.03458	2.6
83.01411	9.8
83.05051	1.2
85.02963	22.6
87.00886	3.8
87.04500	1.3
88.98806	8.5
89.02460	28.2
93.03476	1.2
95.01379	4.9
95.37334	1.0
96.96017	2.3
97.02950	3.3
97.06602	1.1
99.00905	6.5
99.04559	1.3
101.02458	39.5
102.02774	1.4
107.01400	4.0
108.02193	2.0
109.02966	2.5
111.00895	1.5
113.02465	20.2
119.03500	8.9
123.00881	3.8
123.04569	1.2
124.01685	3.7
125.02466	50.8
126.02801	2.2
131.02608	0.9
131.03522	22.6
135.04521	1.4
137.02473	1.5
137.09708	1.2
139.00455	0.9
140.01259	1.0
143.03532	3.9
147.06607	1.3
149.04573	3.5
151.00378	12.7
151.03984	1.1
152.01080	2.0
153.02010	1.1
153.05592	1.2
159.03008	3.7
161.04570	13.7
163.04097	1.0
163.07603	1.0
165.01915	1.3
165.05612	1.1
165.07686	3.4
167.03473	1.3
167.14401	0.9
168.00659	8.6
169.01447	67.1
170.01768	3.1
175.03954	1.1
177.01906	1.5
179.05643	3.3
182.26358	0.9
183.13902	2.4
191.05696	1.8
193.01479	1.6
195.06583	1.5
205.12346	1.4
207.13911	0.9
209.11726	0.9
209.15424	6.0
211.02495	13.6
211.13405	12.5
212.13739	1.1
223.13339	2.2
227.12953	1.4
227.16609	5.0
229.01495	1.1
235.13309	1.4
253.14433	2.5
255.03157	1.1
271.04553	16.0
271.15460	1.7
272.04919	1.4
282.68408	1.0
293.08829	1.9
300.99866	1.1
309.12067	1.3
313.05630	15.6
314.05911	1.1
327.12985	1.6
331.06827	6.0
357.09659	1.7
359.27969	1.9
373.07770	1.5
387.11063	1.4
389.21814	70.8
390.22028	8.8
401.29077	3.3
419.30081	2.9
428.16006	1.0
429.17261	1.8
519.24603	2.0
521.25903	38.5
521.33307	16.5
522.26172	5.1
522.33820	2.5
537.19678	3.6
563.17072	1.1
581.19330	33.7
581.27960	25.3
581.35590	25.6
582.19318	7.2
582.28345	4.7
582.35974	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
57.03451	1.3
58.00587	0.7
58.21338	0.5
59.01380	79.3
60.01717	0.7
61.98833	13.4
62.18534	0.5
65.87600	0.4
67.08349	0.5
67.82435	0.5
69.03468	0.7
69.62262	3.8
71.01389	13.3
72.99331	0.8
73.02956	4.5
83.01414	2.3
85.02965	3.6
87.00891	1.2
87.04562	0.5
89.02452	10.4
90.02818	0.6
95.01416	0.6
95.05029	0.6
98.19845	0.6
99.04549	2.6
99.92616	1.2
101.02451	11.1
101.03069	0.9
108.62749	0.5
109.06709	0.4
113.02481	6.1
116.92879	14.4
117.92892	1.1
119.03504	2.7
121.64487	0.5
125.02496	0.8
125.06042	0.5
131.03510	1.7
131.07140	0.7
141.24646	0.5
143.03563	0.7
147.06683	1.5
149.04576	1.1
149.08208	7.5
161.04593	1.6
165.12856	0.9
167.10753	0.6
168.81129	0.5
179.05632	0.7
191.05511	0.9
191.09335	0.6
207.13924	1.7
209.11841	4.8
225.14951	5.6
227.12895	25.7
228.13327	1.4
251.12822	0.5
269.14001	3.1
287.15005	9.9
288.15530	0.6
293.12375	3.7
311.10080	1.0
311.13403	5.4
329.13821	0.6
341.14075	0.7
353.14587	0.9
368.37811	0.5
389.18198	2.4
430.97375	0.5
449.20319	5.4
450.20297	0.6
563.27313	5.0
564.28027	0.6
581.28265	100.0
582.28619	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	581.282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45171	0.3
55.01881	1.1
57.03449	1.4
59.01382	27.2
60.01719	0.4
61.98833	100.0
62.98537	1.0
62.99252	0.5
63.99264	1.0
69.03444	0.9
71.01390	24.7
71.05042	1.5
71.74603	0.6
72.99326	1.3
73.02959	6.0
75.00890	0.7
77.95931	0.4
81.03482	0.6
82.76453	0.4
83.01398	2.1
85.02962	8.5
86.79383	0.5
87.00896	1.5
88.98779	0.5
89.02454	12.9
95.01416	2.1
96.96046	1.0
97.02979	1.0
98.03749	0.4
99.00904	3.9
101.02457	16.4
110.98560	0.4
111.00909	0.5
111.49380	0.4
113.02460	10.0
114.02839	0.8
119.03525	3.1
119.05058	0.9
120.99941	0.4
123.00916	1.1
125.02464	3.8
127.14571	0.5
131.03520	7.0
132.03828	0.5
135.04608	0.6
137.02414	0.6
137.09805	0.5
139.04048	0.5
139.07697	0.8
143.03575	1.6
149.04564	4.2
151.00391	0.6
151.04068	0.6
153.09210	0.9
155.10789	6.2
159.03006	1.6
161.04575	10.5
163.04082	0.6
165.01978	0.5
168.00526	0.4
169.01439	3.3
177.01994	1.3
179.05673	2.5
179.07008	0.5
191.03749	0.5
191.05603	2.1
193.01418	0.4
211.02504	1.2
227.16533	10.6
228.16920	0.8
244.07329	0.4
248.03278	0.5
249.04013	0.9
271.04562	2.0
275.01929	1.1
293.08817	0.6
299.10364	0.5
301.00012	0.8
331.06653	0.7
343.08646	0.5
356.64172	0.5
358.10559	1.0
359.11099	2.0
373.12970	1.8
389.13461	1.1
389.21820	37.8
390.22192	3.3
404.15189	1.5
419.11237	1.0
419.17035	6.0
420.17673	0.9
433.20840	0.9
491.08755	0.7
521.26013	28.6
522.26422	3.6
581.15497	1.8
581.24170	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	581.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
58.00608	1.8
59.01380	100.0
60.01728	1.9
61.01817	1.2
61.98833	22.3
69.49561	4.8
69.49989	7.4
71.01387	49.4
72.99321	4.1
73.02949	6.0
75.00887	5.7
83.01395	3.6
85.02960	10.8
87.00881	2.9
88.98821	4.3
89.02454	69.9
95.01374	1.4
99.00886	4.8
101.02454	35.8
108.02200	1.6
111.00883	1.6
113.02461	13.5
116.92867	1.9
119.03502	9.4
123.00895	1.4
123.04566	1.8
124.01663	1.6
125.02445	4.2
128.97583	1.4
129.01973	2.8
131.03523	49.3
132.03912	1.7
137.02414	1.4
143.03534	1.5
149.04573	44.3
150.03233	1.6
150.04877	1.6
151.00357	1.3
151.03993	1.3
153.09204	5.7
161.04576	3.6
167.03615	1.4
168.00600	1.4
169.01454	3.5
179.03752	1.2
179.05595	4.1
190.02754	2.2
191.03763	1.0
191.05649	32.6
203.03502	1.7
205.05002	2.7
209.11798	1.8
209.15514	2.9
221.06595	2.9
225.14922	1.8
227.12883	8.1
251.07677	3.3
269.13919	2.0
271.04633	1.8
275.01816	2.7
287.15021	3.7
311.09760	3.8
389.16479	2.3
389.21823	14.6
390.22021	2.9
401.15878	5.1
521.26221	42.3
522.26636	5.6
533.16534	3.0
581.23907	21.4
582.24493	3.0
600.01556	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90523	0.7
55.01859	1.5
57.03432	2.4
58.00591	1.5
59.01382	35.5
61.98835	4.0
65.25112	0.8
69.03458	1.5
71.01387	45.7
71.05014	2.0
72.99299	1.0
73.02602	0.6
73.02962	10.5
83.01395	4.6
85.02961	16.5
87.00877	1.7
89.02460	20.2
89.85629	0.6
95.01395	2.3
97.02962	1.7
99.00888	5.2
101.02459	26.5
103.00362	0.8
111.00874	0.9
113.02465	16.4
119.03516	4.9
125.02459	5.0
127.07649	2.6
129.01965	0.8
131.03528	4.9
137.09729	1.0
139.07675	3.1
141.09166	1.0
143.03503	2.8
143.50029	0.7
149.04581	3.4
153.09218	2.4
155.10814	11.6
159.02989	2.8
161.04573	15.2
162.07829	0.7
169.01382	2.4
173.21945	0.8
179.05602	2.0
188.46121	0.6
191.05553	0.8
209.15430	0.9
227.16527	17.4
228.16878	1.0
229.85115	0.9
233.06596	0.7
264.08368	0.8
293.08783	2.0
313.05560	0.9
368.23172	0.9
389.21823	45.7
390.22098	6.4
419.17422	1.1
475.93655	0.9
521.26019	100.0
522.26428	18.1
581.15338	4.3
606.94940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17848	0.7
53.76528	0.7
55.01876	3.1
57.03444	3.2
58.00587	2.5
59.01381	75.9
60.01712	1.0
61.98819	1.8
69.03503	0.9
70.41498	2.5
71.01386	67.6
71.05029	3.9
72.01727	0.9
72.99303	1.9
73.02953	16.5
75.00891	1.4
81.03479	1.0
83.01393	7.8
85.02961	25.1
87.00896	2.1
89.02457	27.2
90.02829	0.9
91.42323	0.7
95.01398	4.2
97.02962	2.3
98.03746	1.0
99.00889	7.9
101.02459	38.7
102.02782	0.9
109.06628	1.5
111.00901	1.1
113.02461	26.9
119.03523	7.3
124.05315	1.9
125.02471	5.4
127.07706	4.2
129.01976	0.9
131.03529	17.7
137.09738	2.2
137.60715	0.8
139.07674	4.6
141.09233	2.1
143.03542	4.8
149.04588	3.4
153.09258	5.1
155.10803	21.6
159.03012	4.9
161.04590	29.8
179.05669	3.5
191.05655	1.5
205.03752	0.8
209.15591	1.7
227.16541	29.2
228.16774	1.8
293.08755	2.3
389.21811	100.0
390.22159	14.1
419.17316	0.8
426.14896	1.0
433.20929	4.2
521.26001	72.2
522.26294	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	581.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.1
59.01381	60.2
60.01706	1.0
60.99291	1.4
61.98833	12.1
69.03439	1.1
69.69937	4.4
71.01382	8.8
73.02956	6.6
75.00854	2.1
83.01396	3.7
83.01795	0.6
85.02943	1.7
88.98824	5.0
89.02451	6.4
91.02833	0.6
97.06592	0.8
99.04517	1.8
101.02462	5.8
113.02481	3.3
114.10806	0.7
116.92874	3.5
119.03492	1.7
123.00899	1.1
125.02461	1.2
125.61348	0.6
131.03496	2.3
143.03447	0.6
149.04524	2.7
149.08260	0.8
165.12856	0.8
169.01482	1.1
179.05603	1.2
207.13896	5.0
209.11832	5.8
225.14973	9.6
227.12897	37.3
228.13193	3.1
236.81844	0.6
249.03944	0.6
251.12784	2.2
269.13910	9.1
270.14130	0.8
275.01785	1.4
287.15021	30.7
288.15359	2.9
293.13699	0.9
311.09689	1.7
329.15958	2.2
330.10434	0.7
330.16733	0.7
357.13647	0.9
389.17749	2.4
401.16025	1.2
439.33749	0.8
449.20068	2.6
491.05762	0.7
521.20483	1.5
563.23468	5.3
581.24463	100.0
582.24725	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	581.2246
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
55.01867	2.4
57.03444	2.1
58.00586	1.9
59.01380	40.6
60.01711	0.6
61.98832	16.9
68.99809	0.5
69.66542	2.4
69.66970	1.7
71.01383	25.3
72.99316	2.6
73.02944	4.6
74.08463	0.5
75.00880	1.3
83.01392	5.1
85.02962	8.3
86.00127	0.9
87.00877	3.1
88.98799	0.8
89.02456	14.5
95.01395	3.0
96.01735	0.8
96.52373	0.5
96.96022	0.7
97.02960	0.7
99.00889	3.9
101.02454	18.3
108.02162	1.3
109.02943	1.6
111.00864	1.1
113.02460	10.0
115.04016	2.1
115.74709	0.6
119.03523	5.5
119.05020	2.6
121.02999	1.3
123.00905	7.9
123.04548	0.8
124.01656	1.7
125.02483	4.2
127.77904	0.7
129.01891	0.6
131.03503	1.5
131.88121	0.5
134.03696	0.6
135.04524	1.2
137.02446	1.2
138.03246	15.3
139.04060	3.2
140.04333	0.6
141.54951	0.5
143.03514	2.4
145.02959	0.7
149.04552	1.1
149.06192	0.5
151.00374	1.1
151.03963	0.9
152.01099	0.7
153.04422	1.0
153.05598	12.0
154.05740	0.6
159.03064	0.8
159.04515	0.5
161.02422	0.9
161.04585	2.0
163.04031	1.1
165.02005	0.6
165.05428	0.8
166.02776	0.6
168.00768	0.6
169.01448	2.3
174.03195	0.7
175.02528	1.1
175.03928	1.0
177.05487	0.6
177.09302	0.8
179.05658	1.5
179.07060	0.6
181.05144	1.1
187.04034	3.7
188.04785	1.4
189.05585	1.2
191.03473	1.6
191.07173	0.7
193.07115	0.9
198.95088	0.5
201.05756	0.8
201.22134	0.5
202.06403	3.8
203.07130	3.5
205.05011	0.8
206.05652	0.9
207.06485	0.8
207.43289	0.5
209.11798	0.6
211.02310	0.5
217.05011	0.6
219.06563	1.1
221.08171	2.5
233.08212	7.9
249.03934	1.1
267.06567	0.5
269.13977	1.0
275.01968	2.3
281.08258	0.6
285.12744	0.8
287.05655	0.9
287.14935	0.7
295.10559	0.6
300.99945	1.3
309.07681	0.7
311.05499	0.6
311.09760	1.0
313.07153	2.2
314.08072	0.8
315.07248	1.0
324.06326	0.7
325.07129	2.1
326.07941	0.7
327.08694	2.4
327.12155	0.7
328.09164	1.3
329.11111	1.0
340.09445	1.3
341.06488	1.1
341.10245	2.0
343.08237	1.4
343.11761	1.3
344.08957	2.9
344.12738	1.6
345.09851	0.8
345.13419	3.7
355.11871	3.6
356.08798	1.3
357.09631	0.8
357.13370	2.0
358.10559	5.8
358.14258	0.7
359.11337	9.5
359.15295	1.8
360.11676	0.8
371.11444	8.4
372.11649	1.1
373.12933	13.0
374.13391	1.6
379.49838	0.6
386.13913	2.7
387.19855	0.6
389.12482	5.8
389.21350	2.6
390.12799	1.1
390.21683	0.6
401.16055	4.0
404.14825	8.3
405.15436	4.4
419.17184	30.4
420.17667	3.6
428.82687	0.6
449.27515	0.8
521.19604	5.9
521.26166	1.5
522.20691	0.8
566.19934	3.9
567.20734	0.7
581.22479	100.0
582.22845	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	581.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
59.01381	100.0
60.01718	2.0
61.98832	10.6
63.21177	0.6
69.03467	0.7
69.57887	1.1
69.58296	4.5
71.01386	14.4
72.99334	0.9
73.02952	8.9
75.00895	2.9
81.03461	0.7
83.01402	2.6
85.02956	4.5
87.00885	2.1
89.02457	13.3
95.01454	1.1
97.02964	0.8
99.00884	1.3
99.04542	1.8
99.92585	0.8
101.02457	9.3
109.02961	0.8
111.00838	1.1
111.04565	0.7
113.02454	4.7
116.92883	12.4
117.92868	1.0
119.03536	2.1
125.02507	1.6
131.03508	2.6
137.02501	0.9
147.04501	0.8
149.04582	1.8
149.08177	0.8
151.04025	1.5
152.01114	0.7
153.01959	0.7
161.02420	1.1
161.04549	2.1
163.04034	1.6
165.12851	0.8
166.06310	0.8
169.01530	1.3
175.00488	0.6
175.04063	4.2
176.04805	1.1
177.01752	0.8
177.05591	0.7
180.04250	2.4
181.05055	0.9
188.04692	0.9
189.05533	2.0
190.06375	7.4
191.05577	0.6
191.07150	4.2
193.05009	3.4
194.05740	2.2
203.03474	0.8
205.08713	5.3
207.06561	2.0
207.13898	3.8
208.07379	3.9
208.14252	0.8
209.11804	4.5
225.12936	0.8
225.14923	7.0
227.12886	25.6
228.13144	2.4
248.03110	1.1
249.04048	1.2
251.12816	1.1
269.08041	2.5
269.13974	5.6
270.14249	0.8
274.01013	0.8
275.01935	3.7
275.40536	0.6
281.07932	0.7
283.09653	1.3
287.15009	21.2
288.15350	1.7
295.09622	0.7
299.09106	1.6
301.00018	0.9
311.09473	5.3
314.11511	5.9
315.11923	0.8
326.11520	4.1
327.11908	0.7
329.13846	18.5
330.14136	2.4
341.10223	0.6
341.13919	12.7
342.14359	0.8
353.10703	0.8
374.13470	1.2
389.16000	34.3
390.16406	5.7
419.17114	1.7
420.16937	0.7
427.99152	0.9
449.20447	5.2
491.21207	1.8
521.20038	2.4
521.25726	3.1
563.24664	1.4
581.24579	78.5
582.24817	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	581.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68904	1.1
52.81497	1.3
53.78502	1.0
54.23349	1.1
57.03443	2.5
58.00590	3.6
59.01382	100.0
60.01717	1.3
60.75685	1.0
61.98505	2.1
61.98833	44.6
69.51495	10.8
71.01389	60.7
72.99323	5.4
73.02954	6.0
75.00874	3.8
78.95946	1.1
80.29902	1.2
82.05392	1.0
83.01389	6.9
85.02965	13.9
86.03264	1.2
87.00885	4.0
88.98808	2.7
89.02458	79.5
95.01387	4.7
96.96035	4.2
98.00095	1.7
99.00885	2.2
101.02464	33.3
108.02190	3.3
109.02962	1.8
111.00915	4.6
113.02467	29.8
114.02832	1.4
115.04002	2.8
116.92885	3.6
117.22698	1.1
119.02733	2.1
119.03519	25.0
120.99564	1.1
123.00913	4.4
123.04523	1.6
124.01662	2.6
125.02480	11.8
131.03514	14.0
136.01637	1.8
137.02467	1.9
140.01178	1.6
140.40675	1.1
143.03542	5.4
145.02966	1.2
149.02507	1.6
149.04573	12.4
150.03322	1.2
151.00372	3.7
151.03998	5.2
152.01122	2.3
153.01967	2.5
161.04581	6.5
163.04019	1.1
166.02632	1.3
167.03348	1.7
168.00668	4.6
169.01468	12.0
175.03920	1.5
177.01990	1.2
179.00128	1.3
179.05655	21.7
181.05147	1.9
191.05612	6.9
195.06633	1.5
205.04999	1.6
207.13774	1.1
209.08113	1.3
211.02432	3.1
227.12912	1.3
235.05994	1.4
241.08598	2.1
255.10268	2.6
266.05692	1.8
267.08594	2.8
270.12469	1.9
271.04590	3.1
283.09781	17.2
295.09702	2.4
297.11249	1.5
298.12076	2.1
310.12189	1.9
311.09268	41.5
311.12543	2.3
312.09589	4.0
313.05707	1.6
325.10779	4.6
326.11621	24.4
327.12085	2.5
333.99054	1.1
341.13950	36.1
342.14297	4.2
389.11374	1.0
389.21844	5.7
419.13135	1.3
429.14114	1.8
521.25970	22.3
521.33057	3.0
522.26300	3.7
545.18890	3.4
581.22327	12.7
581.27832	7.4
582.22144	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	581.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.2
57.03438	2.2
58.00591	2.4
59.01379	81.6
61.98829	42.5
62.79418	1.0
63.87858	1.0
64.45512	0.9
69.03448	3.8
69.50439	7.2
71.01385	65.5
72.99306	2.4
73.02950	9.7
73.38213	0.9
75.00884	1.2
81.03459	2.7
83.01389	6.3
85.02954	14.0
87.00877	1.7
88.98763	1.1
89.02452	63.3
90.02780	1.0
92.02695	1.0
93.03468	53.8
94.03799	1.8
95.01385	7.6
97.02953	6.1
99.00871	3.9
101.02456	26.5
102.02837	0.9
103.20367	0.9
107.01393	1.5
107.05037	3.8
108.02201	6.5
113.02460	15.2
119.03526	5.4
121.02969	65.0
121.10218	4.4
122.03317	3.1
123.00907	4.4
123.04498	1.6
124.01675	13.0
125.02462	82.3
126.02776	3.9
127.11287	2.1
131.03526	14.2
136.01662	5.0
137.02467	60.1
138.02798	2.9
143.03477	4.4
149.02542	1.8
149.04568	17.5
149.98489	1.5
149.99605	17.8
151.00380	2.7
151.03999	2.8
152.01129	1.1
155.93007	0.9
161.04596	6.2
165.05516	1.3
167.03409	1.5
168.00661	40.7
169.01450	36.0
170.01753	1.8
171.13893	2.1
179.03435	3.4
183.08076	1.4
191.05548	1.1
197.06088	7.7
199.07652	5.1
201.14981	16.8
202.15433	1.4
209.05969	1.5
227.07140	100.0
228.07498	8.1
233.06627	2.4
269.13736	1.1
281.06674	24.9
282.06979	2.3
287.14841	2.1
293.08774	25.3
294.09186	1.8
299.25815	1.4
306.16495	1.1
313.05453	1.3
331.06628	3.7
359.27997	23.7
360.28369	1.6
413.10944	13.3
414.10999	1.6
415.12433	3.4
435.43607	1.0
449.20285	1.5
509.77750	1.0
521.33282	51.2
522.33704	8.0
537.19446	2.8
581.18671	57.9
581.33240	3.8
582.19122	12.6
588.17145	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1826
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01382	10.4
61.98828	14.0
71.01404	3.4
78.95907	100.0
89.00284	1.1
89.02454	1.3
91.26770	1.0
94.07579	1.2
96.96967	4.6
99.92593	11.9
100.93365	1.4
101.02477	1.8
106.72831	1.1
113.84577	1.1
115.92090	37.5
116.92075	2.9
116.92870	32.0
117.92883	1.6
120.97028	1.4
128.91180	1.1
142.92215	1.2
150.98022	4.0
152.99599	26.1
155.95222	2.4
158.53609	1.0
164.68961	1.0
164.90485	3.3
170.43700	1.0
171.00639	13.2
171.94548	1.4
172.95468	6.8
178.88460	4.6
179.89229	38.7
180.90027	30.6
181.90923	2.4
194.87927	2.7
196.89507	60.1
197.89525	2.5
205.90785	5.4
206.91570	2.6
208.89499	2.8
212.88985	1.3
219.92090	1.2
221.90273	3.2
229.75822	1.3
234.91032	2.9
235.91821	10.5
236.92625	26.8
237.92792	2.3
252.92128	3.0
256.23700	1.7
270.93173	1.8
276.95764	2.6
278.93695	4.5
292.95300	3.4
310.96219	7.8
473.14008	6.4
474.14386	1.6
490.14096	5.4
533.16101	3.9
545.16107	7.8
546.16418	1.3
563.17096	7.3
564.17834	2.8
581.18274	86.5
582.18536	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	580.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41512	0.1
59.01389	0.1
59.95633	0.1
61.50785	0.1
61.98832	100.0
62.98528	0.1
69.48450	0.1
71.05045	0.1
77.68209	0.1
83.42926	0.1
98.20632	0.3
128.65404	0.1
163.86369	0.1
175.29265	0.1
267.04492	0.1
292.02731	0.1
325.30685	0.1
437.30688	0.7
438.30927	0.1
455.31879	0.4
517.31665	11.9
518.31958	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	580.313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.91148	0.2
70.49776	0.7
80.77953	0.2
85.78912	0.2
87.36172	0.2
103.32928	0.2
110.95238	0.2
201.97488	0.2
252.73799	0.2
270.55585	0.2
287.36832	0.2
294.42502	0.2
437.30704	0.8
455.31882	0.5
483.51199	0.2
517.31677	15.6
518.31989	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97152	0.3
59.01378	2.0
61.98832	100.0
62.98535	0.3
63.99265	0.7
71.01405	0.6
89.02460	0.4
96.96050	0.5
113.02480	0.2
125.02529	0.2
158.13351	0.2
209.11758	0.2
211.13435	0.3
229.86623	0.2
373.23822	0.2
487.30713	0.5
517.31714	6.3
517.39423	0.4
518.32062	0.9
581.27710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82882	0.1
55.01868	0.1
59.01379	2.2
61.98834	100.0
69.03459	0.2
71.01385	1.0
71.05044	0.2
71.45007	0.3
73.02950	0.5
75.00887	0.3
78.95941	0.2
83.01402	0.2
85.02967	0.5
88.98846	0.2
89.02466	0.7
95.01401	0.2
96.96033	0.4
101.02467	1.1
108.02144	0.1
109.03018	0.2
113.02489	0.4
116.92889	0.4
119.93110	0.1
121.02981	0.1
123.00906	0.3
124.01701	0.4
125.02483	1.5
126.02806	0.3
128.20490	0.2
131.03522	0.2
145.70335	0.2
149.99603	0.7
151.00090	0.3
161.04608	0.4
167.03590	0.3
168.00661	1.7
169.01273	0.6
173.19809	0.2
184.77206	0.1
187.09892	0.2
209.11839	0.4
335.31525	0.1
388.24161	0.2
389.25494	0.5
401.43622	0.1
419.30347	0.1
442.75870	0.2
517.31787	0.4
520.33691	0.5
521.31226	0.2
580.21082	3.0
580.30280	0.2
581.21570	0.5
581.28796	0.3
581.36224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83638	0.1
54.29599	0.1
54.71001	0.1
55.01883	0.1
57.03461	0.2
57.52160	0.1
59.01380	2.5
60.01704	0.1
60.79685	0.1
61.98832	100.0
62.98534	0.2
69.03461	0.1
70.09416	0.4
71.01387	2.4
71.05035	0.1
72.01740	0.1
72.99297	0.1
73.02955	0.5
75.60181	0.1
83.01434	0.2
85.02961	0.9
87.00903	0.2
89.02451	1.8
90.02778	0.1
92.14657	0.1
94.22529	0.1
95.01423	0.1
96.96011	0.1
97.02956	0.2
98.19968	0.1
98.67429	0.1
99.00913	0.4
99.04613	0.1
101.02461	1.3
106.96693	0.1
111.00882	0.2
113.02470	0.9
119.03522	0.2
123.00908	0.2
125.02456	0.8
131.03529	0.8
137.02481	0.1
143.03546	0.2
147.04584	0.1
149.04549	0.6
150.03305	0.1
150.04916	0.1
151.04047	0.1
153.09276	0.2
155.10864	0.4
159.02995	0.1
161.04558	0.7
165.05615	0.1
169.01442	0.4
175.04021	0.1
177.01987	0.2
179.05626	0.2
191.05664	0.3
192.05986	0.1
203.03514	0.1
205.05228	0.1
205.12459	0.2
211.02557	0.1
219.02972	0.1
224.13953	0.1
227.16559	0.7
229.01640	0.1
231.03084	0.2
248.03217	0.1
249.04002	0.6
257.00803	0.2
265.04932	0.1
271.04575	0.2
274.01263	0.2
275.01880	0.8
276.02365	0.2
301.00018	0.3
311.10199	0.1
359.11493	0.3
373.12894	0.3
387.20346	0.3
388.20663	0.3
389.12833	0.3
389.21802	2.7
404.14914	0.2
418.15973	0.2
419.11630	0.2
419.16971	1.0
438.02078	0.1
467.03143	0.1
519.24158	0.3
520.24066	0.7
521.25995	2.2
580.22943	0.2
581.24103	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
59.00731	0.1
59.01381	2.8
61.98833	100.0
69.56019	0.5
69.56441	0.6
71.01393	1.1
72.99302	0.2
73.02956	0.5
75.00874	1.0
83.01405	0.2
85.02961	0.6
87.04550	0.3
88.98827	0.3
89.02476	0.5
99.00875	0.2
101.02444	0.9
108.02206	0.5
109.02999	0.4
111.37910	0.1
113.02473	0.4
121.02992	0.2
123.00933	0.1
123.04562	0.2
124.01714	0.2
125.02455	0.9
131.03519	0.2
135.04523	0.2
137.02530	0.2
139.11293	0.1
149.99677	0.3
150.03276	0.3
152.01146	0.4
153.01913	0.2
161.04623	0.3
165.05540	0.2
167.03490	0.3
168.00679	0.5
169.01437	0.3
183.79184	0.1
222.05569	0.1
248.30173	0.1
254.26021	0.1
314.28018	0.2
327.21680	0.2
357.26495	0.7
358.26743	1.6
359.27591	0.2
389.25443	0.7
449.31357	0.3
520.32037	0.5
580.24359	0.2
581.23169	0.9
581.33850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00514	0.1
59.01376	1.0
61.98832	100.0
62.98529	0.2
70.94377	0.1
72.33701	0.1
75.00848	0.1
78.95912	0.5
81.54804	0.1
88.98858	0.2
96.96091	0.2
99.75742	0.1
116.02144	0.1
152.99594	0.3
183.44012	0.1
187.42540	0.1
277.21735	1.7
278.22028	0.9
279.22348	0.4
280.22647	0.4
281.34720	0.1
498.45612	0.1
502.29276	0.8
503.29672	0.2
504.30209	0.3
505.30276	0.6
517.31677	0.1
579.30121	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40709	0.1
57.98822	0.2
59.00288	0.2
59.01375	1.4
61.98831	100.0
62.98520	0.2
78.95928	0.6
88.98844	0.2
94.32703	0.2
96.96032	0.2
107.43962	0.1
148.07127	0.1
152.99617	0.4
277.21741	1.4
278.22049	0.5
279.22458	0.3
280.22757	0.3
502.29230	1.2
503.30045	0.3
504.30078	0.2
505.30435	0.7
517.31952	0.2
579.31122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.6
61.09532	0.5
61.35261	0.5
61.98507	1.2
61.98830	19.4
63.96231	1.6
68.42442	0.6
69.69357	3.2
69.69766	1.1
71.01386	7.2
73.02963	1.4
75.00880	0.6
78.95916	3.9
78.98598	5.1
79.95740	7.8
80.96523	58.7
81.03511	0.8
85.02952	3.5
87.00864	2.0
88.98811	4.0
94.98098	15.0
96.96012	3.1
97.02948	2.1
98.20641	1.1
101.02454	2.7
106.98111	2.8
113.02450	0.7
117.03471	0.7
122.97592	2.7
125.02475	3.0
134.97597	3.6
136.99167	1.3
148.99173	5.1
152.98627	4.6
152.99644	0.8
162.09663	0.6
164.98637	12.5
206.99669	3.0
224.06911	1.3
225.00755	14.8
226.01222	0.8
255.23259	0.7
279.23236	2.2
281.24850	16.6
299.04294	3.0
341.10617	0.6
395.35782	0.6
506.32532	14.1
579.28467	100.0
580.28741	19.7
580.37317	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	579.295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48989	0.5
59.01378	8.6
61.98832	100.0
63.99235	0.6
71.01405	1.1
71.41727	0.5
75.00887	1.9
77.83304	0.6
78.95927	1.2
87.00876	0.7
88.49466	0.5
88.98824	1.4
96.96028	0.9
108.39742	0.6
113.02471	0.6
115.52552	0.5
125.02483	0.8
136.22624	0.6
152.99609	1.0
209.11929	1.3
227.12866	0.6
265.95560	0.5
285.04327	0.6
347.01532	0.7
454.30505	0.8
516.30914	1.2
517.31775	2.0
519.34131	0.6
596.99164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
55.78864	0.5
57.03451	1.4
58.00593	1.2
59.01381	74.3
59.94233	0.4
60.01720	0.5
61.98835	5.4
69.03458	1.5
71.01386	21.4
71.05025	0.7
71.08678	1.1
71.17136	0.6
72.99320	1.5
73.02956	9.3
81.03454	3.4
83.01396	2.7
83.05052	0.9
85.02958	5.9
87.00885	2.5
89.02455	15.8
89.02982	0.9
95.01402	1.4
95.05039	1.0
96.96030	0.7
97.02975	1.4
99.00887	1.6
99.04523	4.9
100.25360	0.5
101.02457	14.3
111.00883	0.6
111.04557	2.9
111.48597	0.5
113.02464	7.1
114.93447	0.5
116.92870	0.8
119.03506	3.9
123.00969	0.8
123.04610	0.9
124.01650	0.6
125.02476	1.6
129.01964	0.6
131.03508	6.2
143.03493	1.2
147.06660	5.5
149.02614	0.5
149.04572	9.4
150.03232	0.8
159.03001	0.6
161.04558	2.4
165.05634	1.4
165.12856	0.9
168.00662	0.6
169.01491	0.8
179.05693	1.4
185.98769	0.5
189.07761	0.7
189.12877	0.7
191.05644	4.2
199.40381	0.5
207.13983	1.4
209.11810	4.5
216.64557	0.5
225.14969	4.3
227.12891	20.9
228.13239	0.8
233.11876	0.6
248.03181	1.1
249.03906	0.6
251.07654	0.8
251.13007	0.8
255.03009	0.8
269.13913	1.3
274.01129	0.7
275.01904	1.2
287.14938	1.4
291.10922	2.3
300.02768	1.2
309.11865	4.7
351.12906	1.6
403.29871	0.5
519.24664	1.5
561.25623	4.7
562.26276	1.2
579.26678	100.0
580.26868	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	579.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03440	1.8
58.00570	0.6
59.01378	53.3
60.01714	0.7
61.98831	10.0
69.03441	0.9
69.66949	3.9
71.01385	17.0
71.05018	1.7
72.99316	1.3
73.02949	15.6
75.00878	0.7
78.82915	0.6
79.63247	0.6
83.01391	5.7
85.02578	0.5
85.02966	5.2
87.00877	2.1
89.02448	12.0
89.99060	0.5
95.01385	1.0
98.20559	1.0
99.00869	0.8
99.04530	1.9
101.02451	16.2
101.10416	0.5
113.02464	7.7
119.03498	4.4
125.02427	2.0
129.05609	0.6
131.03519	1.2
143.03465	1.2
147.06651	5.4
161.04532	1.9
165.07649	3.9
165.12842	2.4
169.01439	0.6
189.07544	1.3
189.12845	1.2
198.25386	0.5
207.13913	5.2
208.14204	0.6
209.11850	5.3
210.12163	0.5
211.13347	1.4
225.14938	4.0
227.12892	15.5
228.13219	1.2
233.11829	0.9
236.56303	0.5
251.12837	1.8
253.14369	0.9
269.13953	6.9
270.14334	0.7
287.15024	11.7
288.15204	0.6
309.11917	6.9
327.12799	2.0
342.10971	0.8
351.12979	1.8
352.13132	0.7
357.13336	1.1
369.14050	1.1
389.18097	0.6
449.20703	0.8
460.55444	0.6
519.24323	1.0
561.25385	4.8
579.26544	100.0
580.26874	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	579.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.8
57.03449	2.1
58.00594	1.3
59.01377	100.0
60.01741	1.2
61.98829	8.7
65.62471	0.6
68.49931	0.7
69.03468	1.5
69.51843	6.4
71.01385	34.0
72.99313	2.5
73.02952	10.3
75.00887	1.1
81.03471	2.9
83.01402	3.3
83.05037	1.3
85.02947	7.8
87.00886	2.2
89.02454	35.3
91.78671	0.6
93.03464	1.3
95.01426	1.2
95.05080	0.7
97.02965	2.2
98.20635	1.2
99.00882	3.2
99.04539	4.8
101.02454	26.5
109.02966	1.2
111.00945	1.2
111.04533	2.6
113.02454	11.4
114.93439	2.0
116.92917	1.2
119.03495	5.0
125.02441	3.6
127.04081	0.7
129.01941	1.9
130.05121	1.1
131.02527	1.2
131.03520	24.0
132.03870	0.8
137.02470	0.7
138.16457	0.6
143.03539	1.3
147.02968	0.9
147.06660	6.2
149.04572	32.1
150.03255	1.4
150.04854	0.8
151.00496	0.9
161.02501	0.9
161.04590	3.1
165.05592	2.3
169.01443	2.2
173.04507	1.3
179.05630	2.6
184.19165	0.7
191.03853	0.7
191.05608	18.6
195.06628	0.8
207.14000	1.7
209.11784	4.0
221.06676	1.6
224.23514	0.6
225.14896	5.1
227.12907	20.5
228.13185	1.4
240.56401	0.7
248.03151	1.4
249.04068	1.8
251.07716	1.3
255.03014	1.0
269.14017	2.3
275.01965	2.4
287.14828	1.3
291.10898	2.0
300.02698	1.1
309.11951	4.2
311.10046	1.2
351.13004	1.7
387.20233	1.0
504.29288	0.8
509.26846	0.8
519.24432	4.3
520.24622	1.3
561.25586	5.5
579.26672	96.6
580.26941	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	579.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03450	1.8
58.00598	4.4
59.01380	100.0
60.01708	1.7
61.98832	41.4
69.03469	0.9
69.56113	4.7
70.99432	0.5
71.01386	67.9
72.01718	1.3
72.99310	3.9
73.02943	6.6
78.95921	0.6
83.01385	4.6
85.02956	10.0
87.00882	2.3
88.98838	1.5
89.02454	99.9
90.02801	2.0
93.03478	0.8
95.01412	1.6
96.96001	2.7
96.96991	0.7
97.02962	1.5
98.19874	1.2
99.00899	6.8
101.02457	46.3
102.02814	0.8
109.02911	0.7
111.00898	4.0
113.02475	12.3
116.92889	0.7
119.03525	7.9
120.99730	0.6
123.00916	2.2
123.04591	0.8
125.02467	7.5
126.02789	0.6
129.01944	2.5
131.03523	64.0
132.03880	1.5
137.02464	2.0
139.00432	0.9
143.03508	1.0
147.04494	0.6
149.04576	95.8
150.03267	1.9
150.04892	2.8
151.03989	1.2
161.02467	0.7
161.04543	2.4
163.04054	1.0
164.04749	1.2
165.05598	3.6
166.02750	0.9
167.07019	0.5
169.01450	4.2
173.04552	1.1
174.03392	0.6
175.02466	0.9
175.03851	1.0
177.01956	1.7
179.05638	1.1
180.04427	0.6
181.05028	2.1
183.06691	1.0
189.01929	0.7
189.12860	1.0
190.02563	0.6
191.05626	37.4
192.05904	1.5
193.01343	0.7
193.05074	0.9
195.06569	1.6
201.01953	1.0
203.03494	1.2
203.28107	0.5
206.12587	0.7
211.02403	0.6
213.01918	0.5
217.01610	0.7
221.06657	3.7
229.01387	1.2
231.02991	1.9
247.02515	0.9
248.03201	1.2
249.04118	3.8
251.07745	4.3
257.00992	1.0
263.07761	0.7
273.00287	0.7
274.01126	1.1
275.01974	5.3
281.08777	1.1
289.07181	1.1
293.08795	1.7
299.99045	0.9
300.99988	3.4
302.00076	0.7
311.09827	6.3
313.05780	0.6
337.09174	1.0
361.05746	0.8
387.20203	4.0
417.15591	2.9
457.02222	0.7
457.53021	0.7
461.14163	1.6
467.03546	0.6
477.09546	0.7
513.53650	0.6
516.18103	0.9
517.19000	0.9
519.24451	7.4
520.24243	0.8
539.90271	0.6
561.12555	0.9
579.13403	1.7
579.22876	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	579.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03455	1.9
58.00593	4.3
59.01378	100.0
60.01718	1.6
61.22519	0.7
61.98829	48.0
69.03452	0.9
71.01385	63.5
71.71011	1.1
72.01722	1.6
72.99328	4.0
73.02942	6.5
73.85901	0.6
75.00878	1.0
83.01403	3.5
85.02947	9.1
85.03350	0.8
87.00902	2.4
88.79853	0.7
88.98799	1.2
89.02451	92.3
90.02789	2.2
91.02895	0.8
93.03474	1.1
95.01408	1.2
96.96026	2.9
96.96978	1.5
97.02995	1.5
99.00897	6.8
101.02454	48.0
102.02798	1.4
109.02962	1.0
111.00908	5.1
113.02471	13.4
115.04038	0.8
116.92896	1.0
119.03533	7.5
121.03001	0.7
121.94038	0.7
123.00903	2.3
123.04550	1.5
125.02462	7.8
129.01979	3.0
131.03519	65.6
132.03888	1.7
135.04564	0.9
137.02501	1.3
143.03542	1.7
145.02982	0.9
149.02612	2.4
149.04568	90.7
150.03256	1.7
150.04942	2.0
151.00436	0.9
151.04013	0.9
153.09195	0.9
157.58607	0.7
161.04567	2.1
163.04028	1.0
164.04730	0.9
165.05650	3.0
166.02757	0.8
169.01407	3.6
173.04628	1.5
177.01952	1.5
179.05707	1.4
181.05000	1.5
189.01913	0.8
191.03850	1.4
191.05623	42.5
192.06061	2.0
193.01477	1.3
195.06714	0.7
203.03430	1.6
205.04982	1.0
221.06606	3.5
228.00345	0.8
229.01389	1.6
231.03072	1.4
247.02353	1.0
248.03174	2.1
249.04005	3.7
251.07634	4.4
257.00946	1.4
274.01245	1.0
275.01956	5.1
281.08896	1.6
283.02502	1.0
289.07205	1.0
293.08734	1.3
299.01459	0.9
300.99911	3.3
311.09879	5.6
387.20139	5.3
417.15903	2.3
461.14523	1.8
511.60175	0.8
517.19128	1.3
519.24390	8.3
520.25519	0.8
561.13000	0.9
579.14050	1.4
579.22571	3.5
580.14941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15303	0.7
59.01377	10.0
61.98831	98.3
62.98534	0.6
63.99258	2.5
67.60355	0.7
69.03454	3.7
69.84303	0.6
71.01383	4.8
71.68898	0.8
71.69265	0.7
72.99334	0.7
73.02949	1.2
75.00877	3.2
78.95913	2.1
81.03465	1.0
83.01397	1.6
83.46887	0.6
85.02956	2.3
88.98830	2.0
89.02449	2.1
95.01411	1.8
96.95999	1.1
97.02966	3.6
98.02478	1.7
99.00876	1.1
99.04539	1.9
101.02467	3.7
108.02171	1.6
109.02995	2.0
113.02455	2.0
123.00898	7.5
123.04548	1.1
124.01678	21.2
125.02461	45.9
126.02770	2.0
131.03554	1.1
136.01659	1.0
137.02473	2.8
149.99608	28.4
151.00284	2.6
151.03996	0.8
152.01166	1.2
157.02946	0.7
161.04597	1.3
163.73961	0.7
166.02594	0.7
166.99895	1.5
167.03481	2.6
168.00655	57.8
169.01430	7.9
170.01775	1.0
198.19275	0.6
203.14430	1.5
209.11853	1.5
216.65366	0.7
221.15469	2.8
225.12885	1.0
242.05577	0.7
265.14456	0.9
283.96603	0.7
313.05676	1.6
314.48578	0.6
387.18002	1.1
387.23996	2.1
519.32965	3.5
579.20770	100.0
580.21130	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	579.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03445	0.5
59.01382	17.5
61.98838	5.6
69.03432	0.4
69.50111	3.3
71.01390	7.1
71.05009	1.2
72.99311	0.6
73.02956	3.1
83.01389	1.5
83.05025	0.3
84.02183	0.6
85.02956	2.7
86.76171	0.4
87.00887	0.7
88.98820	0.7
89.02453	2.9
95.01411	1.3
97.03002	0.4
99.00913	0.5
99.04523	0.4
101.02465	4.5
101.06110	2.2
109.03001	1.8
111.00902	0.7
113.02484	2.3
119.03549	1.0
121.02973	0.4
123.00895	2.2
123.04530	0.5
124.01672	0.5
125.02480	2.5
126.50916	0.4
129.05617	2.6
131.03468	0.4
135.06650	0.4
136.01688	0.4
137.02484	8.7
138.03111	0.5
139.00372	1.0
141.90280	0.3
143.03496	0.4
147.04819	0.4
147.06674	8.5
149.02492	0.8
149.04730	0.4
149.06021	0.4
150.03174	0.5
151.00397	15.9
151.04022	1.5
152.01108	1.4
152.04820	2.2
153.01939	0.6
159.04529	0.4
161.02478	0.6
161.04547	1.1
162.99327	0.4
163.04066	0.5
164.04810	0.4
165.01871	0.6
166.02739	55.9
167.03329	3.5
168.04309	0.6
169.01433	1.7
175.04037	0.6
176.01205	0.4
177.01956	3.3
179.03519	0.7
179.05602	0.4
181.05090	68.6
182.05432	3.6
184.03839	0.6
189.05717	0.5
190.06381	1.5
191.03589	0.9
191.07100	0.4
192.04362	0.8
193.05061	1.0
195.06641	0.5
200.01463	0.4
203.03635	0.4
205.05040	0.8
205.08717	0.8
207.06674	1.8
207.13921	0.8
209.11826	1.4
211.02484	0.5
216.90512	0.3
217.05167	0.5
219.06438	0.4
221.04677	0.3
225.14949	1.0
227.12891	3.4
228.13271	0.4
265.10834	1.2
269.13959	1.2
271.04504	0.5
275.02039	0.6
279.10831	1.0
285.04013	0.4
287.14990	2.4
291.10941	1.1
297.12027	0.5
301.07172	0.6
304.00342	0.5
309.11963	8.0
310.12268	0.9
329.10187	0.6
339.13040	0.6
351.13013	2.5
357.09735	0.4
359.11270	1.8
371.14969	0.6
387.10864	13.6
388.11282	1.6
402.13229	6.7
403.13748	0.9
417.15576	100.0
418.15891	14.5
517.22821	0.7
519.24329	0.8
520.24353	0.5
561.25317	1.8
579.26685	30.1
580.27130	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59617	0.3
53.22850	0.3
59.01378	22.9
61.98827	10.8
63.99247	0.7
71.01387	0.7
73.02964	0.3
78.95909	21.4
79.95741	0.6
80.96525	3.3
82.96091	0.4
94.98087	0.7
122.49998	0.3
122.98495	0.4
125.46931	0.3
152.35191	0.3
152.99628	3.8
168.04343	3.8
169.12350	0.8
207.22850	0.4
209.11909	0.5
224.06929	8.7
225.00612	0.5
242.07918	1.9
248.61864	0.3
252.75175	0.3
261.22479	0.3
271.87222	0.4
279.23282	100.0
280.23642	9.8
334.77530	0.3
386.79462	0.3
473.92700	0.3
504.30920	72.5
505.31247	13.5
505.38715	0.7
578.27124	5.6
579.26685	1.6
579.35675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08165	0.4
54.59879	0.3
55.01870	0.9
57.03444	1.5
58.86219	0.3
59.01379	21.1
61.98830	12.3
69.03461	0.6
71.00989	0.6
71.01383	13.1
71.45373	0.3
72.99320	0.8
73.02955	3.1
75.00876	3.9
78.90141	0.4
83.01389	3.1
85.02954	3.6
87.00882	1.4
87.04508	0.7
88.98793	0.8
89.02443	4.4
93.03439	1.1
95.01389	1.5
99.00887	1.4
99.04502	0.5
101.02460	7.1
107.01434	0.8
108.02177	2.3
109.02969	1.6
113.02450	4.2
115.04058	0.8
119.03510	1.4
120.99699	0.3
121.02990	0.8
122.03759	1.2
123.00888	1.7
123.04530	4.0
125.02449	4.9
131.03535	0.8
133.05032	0.9
133.06606	1.0
134.03722	0.4
134.74757	0.4
136.01677	80.3
137.02530	7.7
139.04016	0.4
140.01184	0.6
143.03543	1.0
145.06665	0.4
149.02460	1.4
149.04477	0.5
149.06099	0.5
151.00410	1.3
151.04024	100.0
152.04333	4.3
159.03221	0.5
159.04543	1.3
160.05280	2.3
161.04565	2.9
161.05737	0.5
161.13370	0.4
163.11313	0.6
168.00734	0.6
169.01436	4.7
173.06085	0.6
175.03993	1.2
175.07634	1.3
176.04628	0.4
179.05699	0.5
179.07117	0.8
190.06386	0.5
191.05615	0.7
199.68510	0.4
203.03470	0.4
204.04329	0.7
205.05099	1.5
205.08807	0.4
206.05804	0.4
209.11838	0.7
217.05038	1.7
218.05743	0.6
219.06706	1.7
225.11356	0.4
225.14931	1.1
227.12912	3.6
233.08238	0.8
251.09291	0.5
269.13950	0.7
283.04547	0.5
327.12296	0.4
341.13904	3.9
342.14398	0.4
343.06909	0.6
347.20709	2.4
368.45447	0.4
385.12967	0.4
387.10748	0.9
387.19934	1.9
399.27618	0.8
402.13284	1.3
417.15549	70.4
418.15912	9.5
433.20468	0.5
517.22760	0.8
519.24390	2.8
519.31689	1.7
543.24530	1.4
561.26080	1.0
579.17859	5.4
579.26624	10.5
579.34021	7.1
580.18225	1.0
580.27039	1.2
580.34796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36918	0.1
59.01375	2.3
60.01728	0.1
61.98831	100.0
62.98519	0.2
63.99259	0.2
71.01400	0.5
71.05034	0.9
71.08804	0.4
73.02954	0.3
75.00902	0.1
76.92146	0.1
78.95924	0.2
81.39127	0.1
83.01423	0.1
85.02975	0.2
88.98829	0.4
89.02444	0.3
96.96003	0.1
101.02474	0.3
113.02474	0.3
116.92876	0.2
119.08630	0.1
131.03558	0.2
209.11731	0.2
419.25980	0.2
432.08612	0.1
435.29340	0.6
444.46704	0.1
453.30261	1.0
515.30103	14.7
516.30408	3.3
517.33130	0.1
518.34595	0.7
519.33673	0.2
579.20581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.5
61.98832	100.0
64.56352	0.3
71.01395	0.5
73.28230	0.3
78.95906	0.4
79.95740	0.4
80.96524	3.6
87.00877	0.3
88.98811	0.6
94.98112	1.0
95.23800	0.2
96.96033	0.5
101.02457	0.5
119.11674	0.3
125.02531	0.3
145.02994	0.3
148.99194	0.4
150.19904	0.3
161.04556	0.3
164.98651	0.6
183.40536	0.2
187.50531	0.2
191.48260	0.2
197.11996	0.3
207.92131	0.2
211.13438	0.7
212.13737	0.4
225.00771	1.5
255.23354	0.4
279.23328	0.5
280.23663	0.5
341.10934	0.4
371.60046	0.3
515.33600	0.4
579.28479	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	578.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
61.98832	100.0
62.98540	0.2
65.14992	0.1
71.01384	0.2
71.72401	0.1
78.95924	0.2
78.98621	0.1
79.95741	0.2
80.96525	1.6
84.47329	0.1
94.98123	0.4
96.96056	0.2
122.97664	0.2
134.97630	0.1
142.02956	0.1
148.99149	0.2
152.98666	0.1
164.98651	0.2
173.28062	0.1
209.11789	0.6
210.12259	0.3
225.00761	0.4
279.23309	0.2
280.23715	0.2
293.21481	0.2
294.21652	0.1
299.04391	0.1
579.28522	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	578.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37605	0.2
54.76027	0.2
57.03447	0.2
59.01380	16.5
61.98833	1.7
64.73038	0.2
68.57993	0.2
69.08792	0.2
69.41917	0.4
69.42316	1.9
71.01383	1.0
73.02950	0.4
78.95911	5.9
78.96363	0.4
78.98589	0.6
79.95309	0.2
79.95754	0.9
80.96523	7.8
82.96108	0.7
85.02964	0.3
85.61377	0.2
87.00892	0.4
94.98095	1.9
97.02948	0.2
101.02468	0.4
122.97578	0.6
125.02481	0.3
134.97617	0.5
148.99187	0.6
152.98619	0.8
152.99713	1.1
164.50290	0.2
164.98602	1.2
166.98334	0.2
168.04305	1.4
182.99573	0.2
206.99709	0.3
222.35178	0.2
224.06947	0.9
225.00763	1.5
226.01096	0.5
242.08006	2.5
248.03192	0.2
261.22281	0.3
277.22208	0.2
278.22147	0.3
279.23276	100.0
280.23633	11.2
290.25677	0.2
299.04367	0.2
504.30908	35.2
505.31247	6.2
578.27216	13.2
579.27130	3.0
602.40448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3751
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
57.03452	0.6
59.01377	2.0
61.98833	4.8
71.55597	1.0
79.31741	0.5
83.05038	0.6
91.04021	0.6
96.90525	0.4
97.06616	1.0
101.23746	0.4
111.08178	1.6
113.09725	0.6
151.07719	0.3
159.37250	0.4
165.12865	8.5
166.13257	0.4
167.10762	0.5
170.63618	0.3
179.14421	0.4
181.12582	0.4
183.13911	100.0
184.14227	6.1
193.12247	0.5
195.13948	4.5
195.97906	0.5
197.11856	2.4
209.11824	7.4
210.12187	0.6
211.13405	20.9
212.13759	1.4
223.13426	3.2
224.13675	0.6
227.12883	6.2
227.36308	0.4
228.13358	0.9
256.13171	0.5
275.20157	3.0
276.91934	0.4
283.15417	0.7
291.19571	0.9
293.21216	43.2
294.21576	5.0
295.22775	0.5
301.16553	6.9
302.16809	0.5
309.20724	3.5
310.21243	0.6
571.73639	0.4
577.37439	27.0
578.37750	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	578.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.01820	0.1
61.98834	100.0
62.98541	0.2
63.99258	0.1
65.09822	0.1
71.01395	0.3
73.02969	0.2
78.95928	0.1
79.33624	0.1
85.02961	0.1
89.02470	0.1
90.70565	0.1
95.01379	0.1
99.33247	0.1
101.02470	0.3
113.02501	0.1
131.03546	0.2
161.04599	0.1
168.73051	0.1
236.51567	0.1
241.00391	0.1
385.25058	0.1
386.25177	0.2
515.30029	0.3
518.29633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78454	0.4
55.01876	1.1
56.02096	0.4
57.03447	4.3
59.01381	100.0
60.01714	1.5
60.99298	0.4
61.98833	88.8
65.00343	1.5
69.03486	0.5
69.50026	1.7
69.50453	2.0
71.01386	17.9
71.05038	1.2
71.95408	0.4
72.99316	6.7
73.02957	6.3
75.00877	1.5
83.01389	3.6
84.02183	0.4
85.02959	10.7
85.03437	0.6
87.00915	2.4
87.04548	1.0
88.98814	1.3
89.02460	7.3
89.02984	0.5
93.03461	0.6
95.01424	1.6
96.96026	5.5
96.96989	0.5
97.02982	0.7
99.00875	2.7
99.04528	1.9
101.02457	13.7
103.00394	0.9
107.01436	1.5
109.03000	0.5
109.06620	0.4
109.20342	0.4
111.00908	1.5
113.02465	9.9
116.92891	1.6
119.03539	1.4
119.05041	4.1
120.99674	0.7
121.02969	0.9
123.00933	0.7
123.04528	0.9
124.01678	0.7
125.02467	15.4
128.03636	0.6
129.01979	1.1
131.03569	1.9
133.01505	0.5
133.02983	0.7
135.04573	0.4
135.21907	0.4
137.02492	0.6
138.01576	0.4
139.11342	0.5
141.02022	0.5
143.03537	0.7
145.02951	0.6
147.04576	0.7
149.02533	0.5
149.04608	0.9
150.03302	1.2
151.00391	6.7
151.01520	0.5
152.01186	0.8
153.02003	0.6
153.05612	0.6
159.03044	1.1
161.02524	0.5
161.04581	3.8
163.04054	3.6
163.11322	0.4
165.01981	1.0
165.05609	1.5
165.12929	0.7
167.03630	0.4
169.01482	1.8
170.57428	0.5
175.02542	0.5
175.04218	0.4
176.01201	0.5
177.02010	1.0
178.99962	0.5
179.05649	0.9
181.12421	0.7
183.10289	0.9
183.13914	0.5
193.03540	7.5
193.05212	0.6
203.06844	0.5
206.44919	0.5
207.13904	2.3
209.11871	4.7
211.02370	0.5
211.13432	0.5
225.14935	5.4
227.12892	20.9
228.13339	1.6
233.11951	0.4
235.09984	0.4
251.13170	0.6
253.18109	4.8
256.03815	1.0
267.10815	0.5
269.04605	1.2
269.14041	1.5
284.03290	7.3
285.04056	10.5
286.04480	0.6
287.15134	1.5
307.14359	0.9
307.17752	2.2
327.21967	0.6
349.18756	1.0
355.25015	2.1
385.13318	0.8
385.22549	1.2
397.26059	0.7
405.17911	1.3
415.22937	2.1
417.23212	0.8
466.19992	1.2
471.31357	2.0
475.20187	1.2
488.18439	0.4
497.19202	9.9
497.26312	0.6
497.69507	1.5
499.29175	0.8
505.34033	1.0
517.30743	5.3
518.30798	0.9
524.63892	0.5
559.31512	5.6
560.32214	1.1
577.32520	83.2
578.22363	5.3
578.32892	16.4
578.72296	0.6
579.28552	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	577.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88106	0.7
53.51194	0.6
55.01877	1.4
57.03444	2.8
58.00593	3.4
59.01379	89.0
60.01707	1.5
60.97166	0.6
61.98829	3.4
63.53832	0.5
65.29351	0.6
66.18931	0.7
67.48557	0.6
71.01006	2.3
71.01385	67.5
72.01737	0.9
72.99313	3.8
73.02953	5.8
78.03777	0.5
83.01390	3.4
83.05045	0.7
85.02962	9.3
87.00887	2.1
89.02454	98.2
90.02788	1.8
91.64384	0.6
93.03474	0.9
95.01402	0.6
96.96030	0.7
97.02975	1.3
99.00900	4.5
101.02460	48.2
102.02805	0.6
103.03876	0.7
109.02969	2.3
111.00918	1.4
113.02464	12.6
116.92171	0.6
116.92848	3.9
119.03523	6.3
121.02975	2.5
123.00906	1.2
123.04542	1.6
125.02469	17.0
129.02003	2.6
131.03520	58.6
132.03857	1.6
133.02957	0.7
134.53853	0.6
137.02499	2.6
143.03535	2.3
144.40265	0.6
149.04576	100.0
150.04895	2.1
151.04044	1.7
161.02454	2.2
161.04523	1.2
164.01099	1.0
169.01447	3.7
170.90521	0.7
173.04555	2.0
175.04045	1.0
187.04079	1.3
191.05637	30.7
192.05969	1.5
221.06717	6.0
239.07816	1.2
245.08224	2.5
251.07722	3.5
255.03027	1.9
263.07654	0.9
273.00500	1.1
274.01129	1.5
275.01865	1.2
275.07669	0.7
281.08759	2.9
287.05463	0.9
289.07169	7.4
293.08752	2.7
297.03894	0.8
298.98392	1.2
299.05643	1.0
299.99115	2.5
300.99905	3.4
311.09860	13.8
312.10049	1.0
371.07773	0.9
397.05679	2.3
407.07614	7.0
408.07980	1.0
425.02798	0.6
425.08621	2.9
451.10422	1.4
480.05533	3.1
481.05933	0.8
515.17670	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
61.98830	39.5
62.98531	0.4
63.96231	1.2
69.03446	0.7
71.01384	7.1
72.99315	0.5
73.02950	1.4
78.10071	0.3
78.95903	0.6
78.98596	6.2
79.95743	9.9
80.96519	71.2
81.03452	0.8
85.02951	2.9
85.69945	0.3
87.00866	2.9
87.04501	0.4
88.98808	0.6
91.04020	0.4
94.98094	14.7
95.01366	0.5
96.96022	1.2
97.02403	0.3
97.02950	1.8
98.20643	0.7
99.00873	0.6
101.02440	2.3
103.28468	0.3
106.98099	3.3
114.23508	0.3
122.97603	3.7
125.02444	3.2
127.04008	0.9
134.97600	4.9
136.99155	1.6
146.97499	0.4
148.99159	5.9
152.98640	5.4
164.98640	12.3
167.00185	0.6
206.99724	2.4
225.00729	13.9
225.02950	0.7
226.00919	0.6
229.79716	0.4
277.21680	2.0
299.04422	2.5
337.74039	0.3
353.35721	0.3
380.28751	0.5
451.18671	0.3
471.34720	0.9
577.26874	100.0
578.27167	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	577.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19250	0.4
54.57943	0.4
57.03456	0.4
59.01078	0.9
59.01377	15.3
61.98833	25.8
69.03444	2.8
71.01387	8.3
71.05016	0.4
72.01715	0.4
72.99330	1.1
73.02954	2.5
75.00867	0.9
81.03464	0.9
83.01393	2.2
83.05042	0.9
85.02955	2.9
87.00908	1.1
88.98824	1.6
89.02445	3.8
93.03466	0.4
95.01405	2.8
96.96045	1.7
97.02982	2.6
98.19884	0.7
99.00880	1.0
101.02449	4.8
105.01965	0.5
107.01412	1.6
108.02238	0.7
109.02995	1.9
111.04537	0.5
111.08212	0.4
113.02473	3.6
116.92950	0.5
119.03510	1.4
121.02972	1.0
123.00906	7.3
123.04499	0.7
124.01686	14.5
125.02467	53.5
126.02799	1.8
127.07704	0.7
131.03566	0.9
133.03015	0.9
135.04495	0.7
136.01657	0.9
137.02458	3.9
138.06905	0.5
139.07646	0.4
145.03046	0.5
145.08722	1.6
149.02525	0.5
149.04585	0.6
149.99608	24.5
151.00336	1.9
151.04083	0.7
151.07689	0.8
153.01956	0.6
155.10796	0.5
161.02455	1.9
161.04594	1.3
165.01857	0.4
165.05524	0.5
166.99875	0.7
167.03516	1.4
168.00665	55.3
169.01428	8.9
179.03514	0.9
179.05714	1.0
183.89490	0.4
191.03751	0.5
191.05569	0.8
193.01402	0.4
201.12868	1.1
204.11549	1.0
207.03070	0.5
209.11894	0.6
211.02475	1.5
211.13318	0.5
219.13860	2.0
223.07567	0.6
225.14822	0.4
227.12822	1.0
253.82195	0.4
263.12799	0.5
267.10648	0.8
269.13861	0.4
271.04507	0.7
287.07730	0.5
289.12967	1.1
301.00046	0.6
307.14053	3.4
313.05753	2.9
327.21899	1.0
331.06821	1.9
349.15079	0.8
353.14197	0.4
359.98260	0.4
385.22452	1.3
415.26938	0.4
496.18600	2.0
496.68546	0.5
515.31189	0.6
517.30444	2.8
534.58093	0.5
559.27716	0.4
577.19354	100.0
577.28656	12.6
578.19727	19.6
578.29297	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	577.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	12.9
57.11457	0.5
59.01372	1.6
61.98825	1.6
68.41705	0.4
69.65831	0.4
70.41096	1.0
70.41508	1.6
71.01381	1.1
71.74637	0.5
73.77976	0.4
74.73959	0.4
81.03469	2.5
83.01395	4.8
88.98802	0.5
89.02477	0.5
93.03481	2.0
95.01376	0.6
95.05042	2.1
96.96045	1.2
97.02964	3.6
101.02472	0.9
105.03466	0.5
107.05032	1.4
108.02177	1.1
109.02972	19.3
110.03285	0.7
111.04462	0.8
113.02492	0.6
115.72809	0.4
116.92841	0.6
117.03495	1.2
119.13955	0.4
121.02991	5.9
122.03724	1.2
123.00917	0.9
123.04546	13.2
124.01694	0.7
125.02465	100.0
126.02791	3.3
131.05011	0.9
133.02991	4.0
135.04507	2.7
136.01642	0.6
137.02472	19.4
138.03209	0.8
139.04021	2.9
145.03008	1.3
147.04491	1.3
149.02469	5.1
149.04486	0.6
150.03227	1.1
151.04034	12.8
152.04436	0.8
159.04555	3.1
160.05286	1.3
161.02464	27.0
161.06096	4.1
162.03271	2.9
163.00385	1.5
163.04042	3.9
164.01187	4.4
165.01950	4.7
167.03546	1.5
169.01434	0.9
173.06151	1.4
174.03278	1.0
175.04031	10.0
175.07669	1.4
177.01984	5.9
177.05507	1.4
178.02559	0.8
179.03494	4.7
183.04535	0.7
187.04019	6.7
188.04802	2.7
189.01990	0.6
189.05542	0.8
191.03523	0.8
193.05063	0.9
199.04013	1.0
199.07645	0.9
201.05614	2.0
202.06369	1.4
203.03513	1.4
203.07146	8.9
204.07486	1.0
205.01463	3.5
205.05081	6.9
209.04521	0.8
211.04062	1.3
212.04811	0.7
213.05563	1.7
215.03394	1.4
217.05104	2.0
219.03059	1.0
221.08173	1.7
225.05499	1.3
227.03519	2.1
227.07164	1.9
228.04298	1.5
229.05055	3.0
230.05721	0.9
231.02988	1.4
231.06567	1.0
237.05612	0.7
239.03380	0.6
243.02910	2.7
243.06645	1.3
245.04582	5.5
245.08188	11.5
246.08469	0.9
247.06223	1.4
253.05066	1.5
255.03015	8.7
256.03696	5.5
257.04504	2.3
269.04584	2.1
271.06219	0.9
273.04056	5.2
281.04639	3.1
283.02454	1.7
285.04007	2.4
287.05606	9.4
288.02905	1.1
288.06134	1.6
289.07181	60.5
290.07477	5.9
297.03979	1.4
297.07489	1.0
298.04691	0.8
299.05621	5.9
300.06088	1.0
300.99612	1.0
321.07568	0.9
329.06757	1.8
331.08154	0.7
339.08691	3.3
381.09912	2.8
382.09979	0.8
407.07727	57.6
408.08038	9.3
425.08801	24.1
426.09155	4.5
451.10358	13.5
451.15634	0.5
452.10687	2.9
480.05280	1.0
559.12610	1.5
577.13477	7.6
577.21716	0.7
578.13928	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	14.1
59.01372	0.8
61.98843	0.8
68.99813	0.5
69.03473	0.7
69.48448	0.8
69.48775	4.4
81.03485	2.4
83.01395	4.6
91.01929	0.4
93.03466	2.3
95.01388	1.2
95.05042	2.1
97.02962	5.2
107.05049	1.4
108.02190	0.7
109.02963	19.5
114.28008	0.5
117.03493	0.9
119.05097	0.5
121.02959	3.8
122.03743	0.9
123.04532	16.3
124.04822	0.8
125.02462	100.0
126.02812	3.4
131.05017	0.6
133.02965	3.8
135.04556	2.4
137.02463	20.5
138.02951	0.5
139.03987	2.7
144.05850	0.5
145.02998	0.7
146.03754	0.9
147.04521	1.5
149.02446	5.7
149.40755	0.4
150.03178	0.8
151.02840	0.9
151.04030	14.3
152.04385	0.7
157.06613	0.7
159.04529	3.8
160.05240	1.0
161.02463	27.2
161.06081	4.9
162.03055	2.7
162.06291	0.6
163.00410	2.4
163.04031	3.2
164.01184	4.9
165.01967	5.0
167.03572	1.1
173.02431	0.5
173.06061	1.7
174.03192	1.1
175.02495	0.7
175.04012	11.0
175.07631	1.4
176.04408	0.7
176.99284	0.4
177.01987	5.5
177.05560	1.2
178.02663	0.7
179.03529	4.4
180.03937	0.5
181.05038	0.5
183.04593	0.8
185.06090	1.7
187.04008	7.6
188.04776	3.4
189.01965	0.8
189.05579	0.9
191.03462	0.8
193.05090	0.9
199.03964	1.3
199.07671	0.7
201.01889	0.6
201.05608	1.8
202.06351	1.4
203.03525	1.7
203.07144	9.7
204.07487	1.0
204.11935	0.5
205.01419	2.9
205.05083	8.5
206.05353	0.8
211.03986	1.5
212.04805	1.2
213.05515	1.7
214.02686	0.8
215.03471	1.1
215.07191	0.7
216.04077	0.6
217.05028	1.9
217.08453	0.5
219.02977	1.0
219.06544	0.8
221.08179	2.2
225.05655	0.8
227.03519	1.7
227.07106	2.4
228.04283	1.3
229.05112	3.4
230.05688	1.3
231.02998	1.5
243.02975	3.0
243.06540	1.3
244.03688	0.7
245.04517	5.7
245.08163	14.8
246.08574	1.2
247.06168	1.1
253.04991	0.7
255.02927	9.2
256.03650	5.0
257.04507	2.4
269.04453	1.7
270.05072	0.5
271.06100	0.9
273.03955	3.8
281.04596	4.0
282.01703	0.9
283.02496	1.6
284.03107	0.6
285.04132	3.5
285.06836	0.7
287.05606	10.0
288.05939	0.8
289.07169	67.2
290.07544	6.0
297.04074	1.0
297.07547	0.6
298.04675	0.6
299.05609	5.3
300.05835	0.9
329.06573	1.4
331.08237	0.9
339.08740	3.4
340.09085	0.5
356.00485	0.4
381.09558	2.0
407.07706	57.8
408.08081	10.3
425.08762	24.2
426.09100	4.0
451.10284	15.5
452.10611	2.7
559.12500	1.7
577.04492	0.4
577.13367	9.2
577.21729	0.8
578.13916	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	576.9936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
59.01382	26.7
61.98833	3.1
69.55035	9.8
71.01390	18.3
72.75305	1.1
72.99319	3.5
73.02944	4.0
74.99114	1.4
75.00873	1.7
78.31956	1.0
83.01405	1.8
85.02970	4.8
85.06597	2.6
87.00868	2.1
89.02457	14.6
93.03465	3.0
95.01391	2.9
96.96027	37.8
98.95608	26.7
98.96439	4.8
99.92603	49.2
100.92667	1.9
100.93350	2.3
101.02460	10.7
102.98613	5.3
107.01414	3.2
109.03011	2.0
111.00917	3.1
113.02473	5.2
115.92095	34.0
116.92117	1.9
116.92879	29.8
117.03545	1.5
117.92876	1.4
119.03524	2.9
119.05022	2.0
120.01265	1.9
123.00896	3.0
125.02451	8.6
129.01945	1.9
131.03531	10.5
133.02950	1.5
135.25330	1.2
135.98425	1.1
137.02441	1.2
141.93654	3.4
142.94449	2.5
144.93248	1.3
149.04573	10.3
150.03188	1.3
151.00401	5.9
156.92413	1.2
161.04593	2.2
163.03973	1.3
163.06198	1.2
165.05595	1.6
169.01451	7.9
169.93172	1.3
170.93921	3.2
173.04480	1.4
175.03914	1.2
178.99895	1.9
191.05605	7.2
191.07053	1.5
191.95317	1.5
194.99344	5.2
197.02379	2.6
198.03143	2.0
199.04013	1.9
200.01112	1.3
205.12343	19.0
214.02792	1.5
215.95218	7.0
216.95799	1.6
223.13397	2.1
226.02693	5.9
227.03352	1.4
228.95998	1.4
230.97563	3.9
241.01328	2.0
242.02229	4.6
243.02815	1.5
243.94679	2.3
244.95412	2.4
255.03003	4.1
257.94650	6.0
257.96701	2.7
258.95438	5.2
267.02945	1.7
268.03580	1.6
268.95499	1.9
270.97000	2.3
271.02307	6.6
274.01254	1.8
274.94907	2.3
275.01950	1.8
279.03030	2.0
280.03619	3.5
280.95474	1.6
282.96957	2.9
284.95071	2.2
293.08853	2.0
295.02466	4.6
296.94888	2.1
297.04074	1.3
297.95865	1.5
298.96210	2.9
299.01974	3.2
300.02652	2.0
300.99921	3.3
301.03442	3.8
308.94910	3.8
309.95547	2.1
310.96637	5.4
312.94592	5.5
323.02139	2.8
323.93713	1.7
324.94360	2.9
325.95245	7.2
326.96030	13.1
327.96381	2.1
336.94427	1.6
337.95288	1.6
338.96042	3.2
340.93863	4.2
340.97455	1.5
350.96060	2.0
351.97040	1.3
352.93829	1.9
352.97803	1.5
353.94733	9.4
354.95529	53.5
355.95819	9.7
362.95935	2.0
363.96912	1.4
364.97906	1.5
366.95560	3.6
367.96338	6.3
368.93054	2.8
368.97186	1.9
370.95114	2.5
377.94696	4.2
378.95602	5.5
379.96124	8.4
380.93176	1.6
380.97205	18.2
381.93930	3.4
381.98312	6.3
382.94986	100.0
383.95340	20.1
384.96429	3.4
385.18692	1.8
391.96347	4.4
392.97104	20.5
393.97720	2.8
394.94998	5.5
395.95816	47.0
396.96490	23.6
397.05090	2.6
397.96606	3.4
398.94556	1.8
400.96381	1.3
405.94244	2.7
406.95071	5.3
407.95514	4.1
408.96552	11.0
409.97562	18.3
410.98169	92.8
411.98511	15.1
422.94333	2.8
423.95230	4.3
424.95892	5.3
425.96579	2.4
426.97943	2.2
432.96667	1.6
438.97620	2.0
442.97055	1.4
450.97656	6.7
452.95563	3.9
468.98688	19.1
469.98825	4.6
478.97006	1.6
479.07291	1.5
480.05338	3.5
496.98209	10.1
497.98798	5.2
514.99115	6.3
517.22791	5.3
533.14673	1.3
539.21216	2.4
540.97437	6.2
541.22784	3.0
541.97693	1.6
558.98340	2.5
577.13220	1.6
577.22400	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	576.331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.5
59.23143	0.2
61.98827	3.3
63.99268	0.2
64.50056	0.2
69.89922	0.4
69.90336	0.9
72.99312	0.2
78.95908	6.9
83.04997	0.2
92.92944	0.2
94.73084	0.2
97.43604	0.2
102.59142	0.2
103.86677	0.2
152.99580	1.7
168.04346	1.7
171.10342	0.2
209.11838	0.6
224.06979	1.2
233.22635	0.5
242.05573	0.2
242.07954	3.1
259.20560	0.3
275.20108	0.5
277.21707	100.0
278.22055	10.4
285.59528	0.2
291.19678	0.5
292.19971	0.4
303.28439	0.2
502.29361	41.2
503.29669	6.6
577.68042	0.2
584.89905	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77925	0.2
55.48946	0.3
57.04310	0.3
59.01379	34.8
60.01703	0.5
61.98830	9.4
63.34635	0.3
63.75943	0.2
69.54366	2.5
71.01360	0.4
78.95911	29.2
80.96526	0.6
83.05056	0.3
87.97038	0.3
91.26094	0.3
96.96954	0.4
98.20653	0.6
109.62669	0.3
115.49130	0.3
122.98556	0.8
144.87067	0.3
152.98474	0.6
152.99606	4.8
168.04341	4.8
194.05919	0.3
196.00131	0.3
210.12143	0.3
219.33665	0.3
224.06937	11.4
225.07262	0.6
233.22694	0.5
242.07983	2.7
259.20770	0.6
275.20059	0.8
277.21713	100.0
278.22067	10.7
282.25192	0.3
384.83191	0.3
502.29361	89.3
503.29721	15.3
517.25909	0.5
577.27411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98831	100.0
62.98529	0.2
69.33303	0.1
69.46492	0.2
69.46902	0.7
71.01377	0.2
78.98571	0.1
79.95740	0.1
80.96519	0.8
94.98106	0.2
101.02445	0.1
148.99242	0.1
152.98730	0.1
164.98627	0.2
174.74176	0.1
184.89136	0.1
202.10934	0.1
225.00732	0.2
277.21820	0.2
278.22061	0.6
279.22491	0.3
280.22733	0.3
377.46820	0.1
577.26923	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	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98830	100.0
62.98532	0.2
70.47102	0.4
76.76254	0.1
78.95924	0.2
80.96537	0.1
82.52574	0.1
147.66933	0.1
209.11894	0.2
211.88451	0.1
275.78674	0.1
277.21753	0.4
278.22128	0.5
279.22531	0.3
280.22711	0.2
310.76407	0.1
395.31439	0.1
514.06592	0.1
577.27203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66613	0.1
59.01374	1.0
61.98832	100.0
71.01398	0.3
71.24477	0.3
71.70945	0.1
72.94846	0.1
74.44987	0.1
75.75957	0.1
78.95921	0.2
79.82124	0.1
89.02475	0.4
101.02478	0.2
113.02500	0.1
131.03546	0.2
149.04581	0.2
151.04970	0.2
185.85063	0.1
188.99246	0.1
249.57790	0.1
308.85007	0.1
391.11404	0.1
450.76181	0.1
483.30920	0.1
516.55139	0.1
516.65839	0.1
517.33044	0.3
529.28174	0.1
576.29456	0.1
596.03943	0.1
603.76733	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	576.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.1
59.01379	1.4
61.98832	100.0
62.98531	0.2
64.01213	0.1
71.01384	0.6
71.74969	0.1
73.02963	0.2
75.00876	0.1
78.95925	0.3
83.01385	0.1
85.02984	0.3
85.31348	0.1
89.02454	0.2
96.96016	0.1
101.02422	0.5
113.02483	0.3
131.03539	0.4
140.63869	0.1
158.87181	0.1
160.71655	0.1
161.04594	0.2
169.01361	0.1
335.44766	0.1
383.23813	0.1
384.24487	0.4
387.16400	0.1
409.58301	0.1
467.94589	0.1
516.28052	0.3
517.32172	0.6
576.23187	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	575.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.5
61.98832	6.1
65.37753	0.2
70.46928	0.3
71.01389	3.1
72.99304	0.3
73.02941	0.8
83.01380	0.4
85.02956	0.8
87.00867	0.4
89.02458	2.1
96.96008	0.5
99.98347	0.3
101.02451	2.8
113.02453	1.3
119.03500	0.8
125.02450	0.3
133.05078	0.3
134.51036	0.3
141.52040	0.2
161.04550	1.4
176.03444	0.2
185.02664	0.3
235.08293	1.3
248.34836	0.3
253.09280	12.7
254.09619	0.7
261.22266	0.3
278.42502	0.3
279.23285	100.0
280.23618	11.1
351.94675	0.3
407.83548	0.3
464.69907	0.3
469.33060	0.5
572.22449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89128	21.9
55.94318	21.6
57.77237	19.1
61.98842	100.0
75.62787	19.5
96.96033	39.4
98.81744	18.7
210.19710	22.4
213.99069	20.3
395.36682	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	575.343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.7
61.98833	5.4
70.01643	1.5
71.01395	2.3
72.99306	0.3
73.02943	0.8
83.01387	0.4
83.05031	0.5
85.02974	0.8
87.00887	0.4
89.02447	2.0
96.96049	0.3
99.00874	0.4
101.02464	2.9
108.02187	1.1
109.02949	0.3
110.70225	0.2
111.08157	1.1
113.02449	1.0
119.03537	0.4
125.02415	0.3
152.01175	0.7
153.01950	0.3
161.04558	0.8
163.11317	0.4
165.12848	0.4
167.10857	0.4
171.10345	0.4
177.12885	0.3
195.13890	0.6
209.09819	0.6
209.11836	11.0
210.12123	0.7
227.12851	1.5
235.08246	2.1
253.09279	12.3
254.09607	0.6
261.21857	0.3
279.23282	100.0
280.23645	11.3
291.19659	12.0
292.20020	1.5
319.89236	0.3
510.21506	0.3
557.35315	0.3
574.05078	0.3
575.28851	1.2
575.36932	0.3
576.28589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.7
57.03443	2.7
58.00589	2.3
59.01379	95.2
60.01712	1.0
61.98830	16.6
71.01385	65.8
71.19354	1.7
72.99318	2.0
73.02949	18.0
73.03314	0.8
75.00888	1.0
83.01388	8.8
85.02958	28.8
86.03292	0.9
87.00890	2.3
89.02443	17.3
90.02771	0.8
95.01384	4.6
97.02974	1.6
99.00903	8.8
101.02454	50.1
102.02769	1.3
111.00975	0.9
113.01680	1.7
113.02464	29.3
119.03483	3.9
119.58321	0.6
125.02486	2.4
129.02014	1.0
131.03517	61.9
132.03842	1.7
143.03477	4.1
149.04549	2.2
159.03023	5.3
161.04575	32.2
162.04918	1.3
199.96025	0.7
205.03459	0.9
215.73509	0.7
383.24384	100.0
384.24692	12.1
427.23318	1.8
515.28564	82.8
516.28918	12.5
575.31128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.2
57.03449	3.0
58.00599	0.9
59.01381	100.0
60.01719	0.8
61.98833	61.6
63.99252	0.8
67.32452	0.5
69.03484	0.8
69.80373	1.4
69.80795	2.2
71.01387	68.3
72.01698	0.7
72.99313	2.3
73.02950	20.1
75.00882	1.9
78.95916	3.2
81.03474	0.7
83.01391	8.1
85.02963	33.1
86.03311	0.6
87.00885	2.0
89.02454	10.7
89.02983	0.8
95.01393	5.2
97.02954	2.1
98.20538	1.1
99.00888	11.7
101.02457	47.3
102.02829	0.8
109.02888	0.6
111.00893	0.7
113.02469	30.3
115.04047	0.5
119.03498	2.2
125.02492	3.4
129.01953	1.1
131.03520	58.2
132.03844	1.2
140.62778	0.5
143.03554	3.8
147.28374	0.5
149.04619	1.1
152.99565	2.3
159.03000	6.5
161.04578	49.8
162.04897	1.7
179.05540	0.6
180.91052	0.5
191.05591	1.0
197.26364	0.5
205.03522	1.7
209.11868	1.3
211.13380	3.2
293.08801	0.7
293.21262	0.9
347.12540	1.2
363.12045	1.2
383.24399	96.7
384.24759	10.8
427.23373	1.3
515.28601	32.4
516.28912	4.9
575.26453	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	575.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27387	0.4
52.72127	0.3
55.01886	0.7
55.82499	0.3
57.03447	0.9
58.00593	1.0
59.01381	42.1
60.01695	0.4
61.49965	0.3
61.98833	100.0
62.98522	0.7
63.99264	0.4
69.03477	0.4
71.01388	23.3
71.75624	0.8
72.99310	1.8
73.02953	4.4
76.17661	0.4
78.95913	40.7
80.02693	0.4
81.03464	0.9
83.01410	2.8
83.05035	2.1
84.02193	0.6
85.02959	7.2
87.00895	1.3
89.02455	25.5
90.02792	0.7
95.01413	0.9
96.96019	0.8
96.96976	4.0
99.00880	1.5
101.02458	18.1
102.02835	0.7
111.00901	0.6
113.02464	8.6
119.03518	7.4
125.02448	0.7
131.03526	16.6
132.03848	0.6
134.98528	0.6
143.03506	1.7
149.04579	5.0
150.97906	0.5
152.99605	27.4
159.03021	0.7
161.04584	4.0
163.11285	1.4
165.12819	1.1
179.05615	5.4
181.12297	0.4
183.13943	2.1
184.14297	0.4
191.05606	2.5
191.10811	0.4
193.12329	0.6
196.89587	0.4
197.44060	0.4
209.11848	24.1
210.12138	1.0
211.13412	20.7
212.13734	1.2
218.47281	0.4
225.11201	0.4
227.12885	3.5
347.12592	6.3
363.12137	12.8
364.12411	0.7
365.13724	2.2
375.51782	0.4
381.13187	3.2
382.13651	0.5
383.24420	21.5
384.24792	2.8
396.20404	0.5
401.08838	0.4
443.29767	0.7
515.28577	34.6
516.28827	5.7
546.14374	0.5
575.26196	18.8
576.26556	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	575.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06137	0.2
53.01711	0.3
55.01883	0.3
56.27383	0.2
57.03449	0.6
58.38659	0.3
59.01375	7.3
61.98828	18.9
67.01878	1.3
68.99821	0.5
69.03104	0.3
69.03461	1.0
69.48777	1.3
69.49200	0.9
71.01383	5.2
72.99304	1.3
73.02951	2.0
75.00861	0.3
78.95901	0.5
79.01889	1.3
81.03434	0.3
83.01390	1.2
85.02951	2.6
86.00069	0.2
87.00909	1.1
88.98815	1.7
89.02435	1.7
93.03472	0.5
95.01401	2.1
96.96024	2.5
96.99387	0.2
97.02972	1.1
99.00898	0.8
101.02444	3.3
104.55055	0.2
107.01399	9.5
108.01752	0.5
109.02997	0.3
111.00883	1.9
113.02446	2.0
119.05037	1.3
121.02976	0.2
121.70824	0.2
123.00903	18.2
123.04521	0.4
124.01207	0.2
124.01711	0.4
125.02464	30.9
126.02813	1.1
127.00398	0.5
131.03534	0.7
135.04547	0.4
136.98824	1.1
137.02493	0.8
139.00398	4.8
140.01189	3.2
141.01974	2.9
145.03056	0.3
149.02472	0.9
151.00392	17.2
151.03986	0.7
152.00723	0.7
152.99622	0.5
153.01941	0.9
158.91194	0.2
160.04041	0.5
161.02420	0.6
161.04572	0.7
163.04079	1.7
166.99860	0.4
167.03548	0.5
168.00673	3.0
169.01443	40.5
170.01773	1.9
177.02000	0.3
179.03487	1.3
181.05087	0.5
193.01396	0.5
193.46268	0.2
195.03003	0.8
205.01460	0.3
209.11900	0.5
211.02573	0.3
211.13364	0.6
219.10191	0.3
220.10680	0.3
223.02493	5.8
224.02771	0.3
246.98793	0.3
266.44550	0.3
283.04602	6.6
284.04834	0.7
285.04330	0.3
291.17975	0.3
327.21722	0.5
348.94147	0.3
353.23169	0.4
363.12289	0.3
449.39346	0.3
476.76648	0.3
493.88483	0.3
575.23419	100.0
576.23749	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	574.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03930	0.1
56.86628	0.1
59.01379	4.5
61.98830	100.0
62.98526	0.3
63.99250	0.6
68.26291	0.1
69.48009	0.5
69.48439	0.9
71.01385	2.5
72.99339	0.2
73.02957	0.7
75.65096	0.1
78.95915	0.8
83.01395	0.2
85.02971	0.7
87.00900	0.2
89.02458	1.8
95.01405	0.2
96.96056	0.2
96.97002	0.2
99.00911	0.4
99.92600	0.2
101.02458	1.8
109.36360	0.1
111.04514	0.2
113.02454	1.0
115.92101	0.2
116.92898	0.2
119.03557	0.2
131.03508	1.9
148.80409	0.2
149.04564	0.9
152.99623	0.7
161.04561	1.2
179.05632	0.4
191.05656	0.3
209.11803	0.3
211.13457	0.5
212.13777	0.2
225.11349	0.2
279.32742	0.2
383.24387	2.7
383.28900	0.2
438.53281	0.2
515.28632	2.7
574.25403	0.6
575.25702	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.29520	0.1
61.98830	100.0
62.98536	0.1
64.76433	0.1
70.43137	0.4
78.95914	0.3
116.10698	0.1
152.99644	0.2
209.11868	0.3
211.13416	0.1
230.61836	0.1
575.26050	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
61.98831	100.0
62.98534	0.2
63.99259	0.3
66.58997	0.2
69.51362	0.4
69.51761	1.3
78.25565	0.2
78.95912	1.2
83.05019	0.3
87.00888	0.4
88.98815	0.2
96.96027	0.2
96.96928	0.2
130.19131	0.1
152.99631	0.6
163.11351	0.2
165.12866	0.5
173.33046	0.2
183.13902	5.4
184.14290	0.5
209.11823	4.9
209.13704	0.3
210.12186	0.8
211.13336	0.3
227.12817	1.3
287.00107	0.2
301.16541	0.7
364.12503	0.2
376.71033	0.2
393.26263	0.2
511.29117	4.2
512.29517	1.0
574.25085	0.3
574.33209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03443	0.8
58.00594	3.0
59.01380	100.0
60.01711	0.9
60.99318	0.4
61.98828	5.9
69.45362	2.7
69.45791	1.8
71.01385	42.0
72.01717	0.5
72.99307	2.2
73.02958	4.2
78.95895	0.5
83.01399	2.5
85.02960	7.1
87.00889	1.3
89.02456	69.2
90.02792	1.3
95.01360	0.5
96.26783	0.4
97.02950	0.4
99.00901	4.5
99.91997	0.4
101.02457	32.6
102.02897	0.4
111.20541	0.4
113.02464	9.2
117.27384	0.4
119.03523	5.7
125.02488	2.0
129.01964	2.6
131.03523	54.3
132.03847	1.7
143.03484	1.9
143.04507	0.5
146.41389	0.4
149.04575	71.7
150.04915	2.4
161.04601	2.2
173.04538	0.9
179.05609	1.7
191.05632	35.1
192.05978	1.6
197.25145	0.4
203.89583	0.4
219.13896	0.4
221.06671	4.4
239.07730	0.5
251.07726	5.5
252.07964	0.7
263.07529	0.5
281.08737	1.0
293.08807	1.2
311.09814	4.9
381.22830	3.0
382.23431	0.7
406.78210	0.4
462.65533	0.4
513.26990	4.4
573.28473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2925
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
55.01876	3.7
58.00599	2.0
59.01379	74.1
60.01700	0.9
61.98832	13.5
67.32846	0.6
68.99854	0.6
69.03468	1.3
70.58606	1.5
71.01385	59.7
72.01721	1.3
72.99326	2.7
73.02953	15.7
75.00879	0.9
83.01397	8.3
84.02161	0.6
85.02959	23.6
86.00123	1.0
86.03314	0.6
87.00875	2.7
89.02451	34.2
95.01403	3.4
97.02966	1.9
99.00895	8.0
101.02454	53.3
102.02791	1.5
111.00898	1.6
113.02460	22.9
114.02849	0.6
119.03540	4.2
125.02473	2.2
129.01936	1.4
131.03523	37.2
132.03836	1.2
143.03551	3.5
149.04575	24.9
150.04906	0.7
159.02966	2.9
161.04573	21.3
162.04938	0.9
176.48511	0.5
179.05592	1.7
191.05647	5.6
205.03462	0.7
219.17574	1.3
251.07779	1.3
293.08777	1.4
311.09818	1.5
381.22830	100.0
382.23105	12.3
425.21970	1.0
441.28912	1.2
513.27026	57.1
514.27356	10.9
573.30243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43003	0.5
55.01877	2.9
58.00594	2.4
59.01380	100.0
60.01718	1.0
61.32202	0.5
61.98833	21.5
69.03468	0.8
69.41260	3.5
69.41702	2.6
71.01385	66.9
72.01734	1.7
72.99323	3.3
73.02949	13.8
75.00894	1.5
78.95910	2.0
83.01391	6.4
85.02958	25.9
85.94135	0.5
86.03284	0.5
87.00898	2.3
88.98831	0.8
89.02454	35.1
90.02758	0.6
95.01384	4.6
96.96002	0.8
97.02962	1.6
98.20609	1.5
99.00889	8.5
101.02456	45.3
102.02791	0.8
111.00874	0.8
113.02459	27.5
114.02793	0.9
119.03513	11.4
125.02474	3.0
129.01993	1.5
131.03520	52.1
132.03871	1.4
143.03517	4.9
149.04579	6.0
152.99585	1.5
155.10782	0.5
159.02985	4.5
161.04576	26.6
162.04921	0.9
166.91833	0.5
177.02007	2.8
179.05629	6.4
183.13799	0.6
191.05542	3.7
205.03566	1.0
207.10249	0.8
209.11809	2.5
211.13435	1.1
219.13829	1.7
219.28059	0.5
229.14439	1.7
233.06596	0.6
233.15498	1.6
233.73946	0.5
244.03334	0.5
248.70366	0.5
273.49460	0.5
279.19553	1.1
293.08752	1.1
374.17731	0.6
381.22824	90.9
382.23160	12.3
421.25668	0.6
425.21802	1.2
441.29062	0.8
456.09042	0.6
513.27014	62.1
514.27344	12.7
573.29382	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	573.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
57.03455	7.4
59.01380	100.0
60.01697	1.3
60.99310	13.5
61.98834	59.2
65.00305	1.3
67.01890	3.6
68.10846	1.0
68.99845	1.5
69.03445	6.0
69.70968	1.1
71.01388	25.3
71.01764	2.2
71.72014	2.0
72.99318	1.9
73.02950	21.2
81.03485	2.4
83.01393	24.6
83.05048	1.7
85.02959	8.7
87.00895	4.4
87.04541	2.0
88.98816	90.5
89.02452	9.7
89.99166	1.5
95.01396	14.4
95.05022	1.3
96.96032	2.2
97.02974	4.8
97.06626	2.6
99.00892	3.6
99.04543	2.8
101.02451	22.1
107.01407	7.0
109.02986	2.1
111.00901	11.8
111.04547	1.3
113.02471	28.2
119.03535	2.7
121.02960	14.4
123.00900	47.7
123.04520	2.6
124.01173	1.1
125.02465	32.5
131.03517	2.1
132.84309	1.3
135.04564	1.2
136.98911	1.7
137.02454	2.9
139.00383	3.9
139.04056	2.2
139.27625	1.2
140.01245	2.6
141.01964	73.5
141.05649	1.5
141.37318	1.4
142.02263	2.1
143.03503	3.4
149.04596	1.3
149.09631	1.4
150.03268	1.7
151.00398	14.7
152.01038	1.3
153.01955	2.1
161.04590	4.6
163.11278	1.5
164.04895	1.5
165.01852	1.4
165.05605	2.0
165.12895	1.6
167.03532	2.2
167.10815	5.4
168.00655	6.0
169.01445	37.0
170.01758	3.5
177.01938	5.1
177.53621	1.1
179.05696	2.7
179.07137	2.8
181.05106	1.9
183.10342	1.7
195.06573	1.3
205.12387	1.9
207.13966	4.6
209.11823	6.6
223.13506	1.7
225.14957	13.2
227.12897	46.0
228.13239	2.9
233.11816	3.9
251.12866	3.7
259.19214	2.2
264.52640	1.1
269.13983	14.1
287.15021	34.2
288.15356	3.3
311.14868	2.9
313.05899	1.9
323.13593	3.4
329.15842	3.1
351.21854	3.5
353.15973	2.6
365.14706	2.5
371.16977	4.5
371.53384	1.3
394.56808	1.4
403.10309	2.8
413.18063	1.6
421.11337	5.8
421.24362	5.1
422.11902	1.3
422.24988	1.3
431.19272	19.9
483.18680	59.0
484.18918	8.9
529.26776	1.7
537.32855	4.6
542.71106	1.4
555.21313	2.4
573.12512	44.0
573.22626	52.7
574.12750	8.9
574.23004	8.1
601.62085	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	573.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35937	1.0
59.01377	8.9
61.98838	11.8
69.80035	0.9
71.01386	5.7
71.75261	1.7
73.02965	1.3
78.91893	5.2
83.01358	1.2
85.02970	1.7
87.00895	1.2
88.98814	3.8
89.02444	3.0
95.01418	1.7
96.96031	1.4
97.02917	1.1
101.02447	3.3
107.01393	4.2
109.02979	1.8
111.00906	2.9
113.02407	1.7
116.92863	1.0
121.03001	1.0
123.00903	8.3
123.04626	1.0
124.01685	2.4
125.02464	26.1
136.98854	1.2
139.00354	2.7
140.01175	3.1
149.02437	1.2
150.03209	1.9
151.00389	3.0
151.04008	1.0
155.37361	0.9
165.05489	1.7
166.02748	1.5
167.03528	2.0
168.00655	15.3
169.01443	44.9
170.01794	2.1
181.05093	2.6
195.06670	2.6
211.02481	64.4
212.02821	2.6
240.94987	3.0
241.03537	1.7
271.04578	100.0
272.04810	6.8
283.53510	1.0
299.01862	2.7
300.99777	1.2
322.01324	1.9
323.01932	2.8
324.99872	3.3
331.06705	31.2
332.06955	2.0
421.01471	3.1
529.07593	6.3
530.08081	1.6
537.19727	88.6
538.20099	15.2
555.06305	1.1
573.06677	5.6
573.22034	14.1
574.21661	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	573.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.0
61.98830	97.3
62.16078	0.5
62.98547	1.6
63.99271	1.0
67.01900	0.6
69.51519	1.4
69.51929	3.9
71.01390	4.6
72.99323	0.6
73.02949	1.7
83.01419	0.9
85.02966	1.5
89.02466	2.0
95.01445	1.5
97.02988	1.0
101.02461	2.5
107.01392	2.5
111.00896	2.3
113.02496	1.7
119.03498	0.9
121.02940	0.9
123.00908	9.7
123.04549	1.0
124.01723	1.0
125.02465	15.7
127.00397	0.8
136.05318	0.7
136.98830	1.0
137.02484	0.9
139.00404	2.8
140.01184	1.5
141.01952	2.4
145.02953	0.7
150.03276	1.0
151.00359	5.8
151.04019	1.0
161.04497	0.9
165.05540	1.1
167.03581	0.7
168.00658	5.1
169.01436	24.7
170.01724	0.8
177.03957	0.6
205.12347	0.9
211.02533	5.3
258.70065	0.7
271.04529	7.3
313.05667	3.2
358.07010	0.7
483.18314	0.9
497.78979	0.8
529.19159	1.1
537.19714	100.0
537.33057	3.3
538.20056	18.8
573.22076	3.0
573.30371	4.8
574.31183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.5
61.98835	17.1
67.01877	0.6
69.03455	0.5
70.49759	0.5
70.50106	1.8
71.01392	3.2
72.99313	1.0
73.02959	1.1
79.01878	0.5
79.80351	0.3
81.03458	0.4
83.01417	0.4
85.02957	1.1
88.98785	0.6
89.02456	1.1
95.01392	1.1
96.96010	0.4
99.00905	0.5
101.02464	2.2
107.01396	1.8
110.29703	0.4
111.00897	1.6
113.02458	1.3
116.92883	1.1
119.03513	0.7
121.02971	0.6
123.00909	10.1
123.04461	0.5
124.01708	1.0
125.01614	0.8
125.02477	13.2
126.02733	0.5
136.98767	0.5
139.00392	2.1
140.01186	2.6
141.01952	1.4
149.02394	0.6
150.03255	0.8
151.00377	6.4
151.04077	0.6
153.01949	0.6
153.09244	0.6
165.01952	0.8
165.05580	1.1
167.03511	0.5
168.00653	3.8
169.01450	18.2
170.01759	0.7
177.04121	0.5
179.03479	0.6
181.05051	0.6
191.03412	0.6
205.12334	0.9
211.02478	4.3
235.59962	0.4
271.04620	5.1
313.05716	1.7
373.14890	0.8
510.16977	1.2
529.18719	0.5
537.19745	100.0
538.20038	14.8
573.22125	2.4
574.22217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
60.21001	0.1
61.98830	100.0
62.98526	0.2
65.34810	0.2
71.01397	0.4
71.71685	0.2
71.72176	0.2
78.95909	0.9
83.05032	0.2
85.02966	0.2
96.96027	0.3
96.96960	0.2
99.92570	0.2
116.92876	0.2
136.91675	0.1
137.02531	0.2
152.99593	0.8
156.59830	0.2
161.04665	0.2
166.22296	0.1
209.11806	1.1
210.12242	0.3
211.13402	1.0
225.11371	0.3
227.12915	0.2
274.57089	0.2
361.10733	0.2
441.28674	0.2
520.30066	0.2
532.41504	0.2
572.27808	0.3
573.24438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98831	100.0
62.98538	0.1
69.58159	0.4
69.58589	0.4
78.95924	0.2
96.96062	0.1
98.20681	0.2
110.56451	0.1
152.99617	0.2
153.02997	0.1
201.11234	0.1
209.11914	0.1
210.12181	0.1
211.13483	0.4
273.08334	0.1
416.98499	0.1
456.26672	0.1
546.57513	0.1
572.32526	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	571.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98824	1.6
64.32390	0.3
69.67903	0.3
70.16319	0.3
72.55642	0.3
76.14400	0.3
78.95905	55.1
93.18053	0.3
96.96968	13.4
117.02022	0.3
117.03469	1.2
119.04993	0.9
120.99057	0.3
134.98553	0.4
140.88461	0.3
145.02962	5.8
146.03296	0.4
148.84810	0.3
150.98080	0.7
152.99599	54.2
153.99953	1.2
171.00642	0.7
187.79253	0.3
189.25323	0.3
223.00111	1.9
241.01169	28.2
242.01491	1.0
255.23273	69.4
256.23627	7.4
259.02185	0.5
315.04837	7.5
366.47394	0.3
391.22464	4.8
392.22916	0.7
409.23618	0.3
571.28943	100.0
571.37457	6.5
572.29291	19.0
572.38013	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95393	0.1
59.01379	0.4
61.98833	100.0
62.98528	0.2
69.50414	0.1
69.50821	0.8
71.01394	0.2
89.02436	0.1
90.85235	0.1
90.98701	0.1
101.02483	0.1
113.02428	0.1
123.00915	0.2
125.02455	0.2
134.03766	0.2
140.01144	0.1
146.03763	0.2
149.06108	0.2
150.03188	0.1
151.00395	0.1
151.04092	0.2
163.06189	0.2
165.05627	0.1
167.07257	0.2
169.01518	0.1
173.14703	0.1
173.82709	0.1
179.07184	0.7
313.13058	0.2
367.13947	0.2
491.19415	0.3
493.60873	0.1
509.21356	0.5
536.18652	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	571.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50404	0.2
59.01397	0.2
61.98836	5.0
64.56103	0.2
66.53938	0.2
71.12899	0.5
78.95914	0.9
96.96985	0.8
98.97451	0.3
99.00907	0.3
99.92599	25.3
100.92618	1.4
100.93385	3.2
100.99834	0.2
103.91904	0.2
115.92096	65.4
116.92102	3.8
116.92887	3.1
132.92412	0.7
136.78168	0.2
179.77484	0.2
221.19148	1.1
265.18066	0.6
283.19226	1.3
287.22321	1.9
301.20178	0.3
471.34875	2.2
485.07761	0.2
535.25439	0.3
553.26465	1.2
554.26532	0.3
556.25452	1.0
557.25543	0.3
567.24237	0.3
571.27386	100.0
571.42163	4.6
572.27649	28.4
572.42676	0.8
585.25336	5.9
586.25342	1.4
592.10925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2893
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.24138	0.3
58.65568	0.4
71.53284	0.6
71.53627	0.5
78.95909	56.7
82.48052	0.3
94.14089	0.3
96.96976	12.2
134.98529	0.4
146.30008	0.3
150.98039	0.8
152.99605	52.5
153.99937	1.0
171.00626	0.5
179.05664	0.5
223.00049	2.0
241.01195	29.3
242.01567	1.2
255.23280	68.5
256.23605	6.5
259.02133	0.5
310.12112	0.3
315.04858	8.3
316.04980	0.4
365.67581	0.4
391.22525	5.2
392.22910	0.8
571.28925	100.0
572.29260	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	571.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03445	2.2
59.01380	80.8
60.01722	1.0
60.99293	0.6
61.98835	19.3
69.03473	0.6
71.01385	9.7
71.05062	0.5
72.99328	0.6
73.02953	5.8
83.01393	4.4
85.02959	6.5
87.00903	1.4
88.98843	1.0
89.02452	1.1
90.23876	0.5
93.03435	0.5
95.01405	2.4
96.96056	0.8
97.02966	0.8
97.06609	1.4
99.00897	1.0
99.04547	1.7
101.02453	5.6
107.01376	0.6
107.05062	0.6
109.02966	1.0
109.06633	0.7
111.00906	0.8
113.02464	3.5
113.09737	0.5
121.02961	2.5
122.03748	0.8
123.00898	16.3
123.04583	0.9
124.01683	87.2
125.02570	6.9
136.01683	1.3
137.02451	1.3
138.03255	10.8
139.04033	56.7
140.04362	2.8
145.02951	1.3
145.05119	0.7
149.02443	1.7
150.03262	8.2
151.00531	0.5
151.03990	2.3
152.01166	0.5
159.02985	1.0
160.05368	1.3
161.04576	2.2
161.05948	0.9
165.05603	7.7
165.12886	1.1
166.02730	1.0
167.03575	0.8
169.01410	1.6
175.04062	1.2
177.09143	0.6
181.05130	0.8
189.12741	0.9
195.06636	1.6
203.05656	1.1
207.13840	3.1
209.11855	5.8
210.12233	0.6
225.14970	8.9
226.15265	1.1
227.12892	43.5
228.13223	3.0
233.11812	1.0
251.12880	0.8
267.06650	1.1
269.13980	3.3
283.08215	10.9
284.08261	0.9
287.15030	2.4
297.07642	1.9
300.99905	4.2
312.09946	1.7
330.11063	1.8
343.10306	1.6
345.13553	4.9
356.08939	4.1
357.13486	1.6
358.09677	0.8
360.20172	0.6
371.06802	1.2
371.11377	22.5
372.11929	3.4
373.12009	2.1
533.16766	2.7
534.16290	0.7
535.22040	0.9
553.22858	11.4
554.23560	3.3
554.30896	0.6
571.23975	100.0
572.24353	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	570.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18861	0.1
59.01372	0.4
61.98833	100.0
62.98534	0.2
63.99253	0.4
65.01366	0.1
71.01409	0.2
87.04533	0.9
88.04875	0.2
98.20651	0.2
113.02329	0.1
120.27431	0.1
124.44049	0.1
139.92789	0.1
176.04958	0.1
242.80537	0.1
378.22049	0.2
413.15411	0.1
510.26315	0.1
510.36374	0.2
571.28107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45121	0.5
57.03454	0.6
59.01378	11.9
61.98829	6.0
69.40968	6.4
69.41309	1.0
71.01397	1.7
73.02950	0.6
83.01426	0.8
85.02946	1.0
93.03475	3.6
101.02457	0.8
108.02217	0.7
109.03024	0.6
121.02959	5.2
122.03763	12.6
123.00890	4.2
123.04586	1.1
124.01683	10.9
125.02488	1.1
130.83598	0.5
131.22380	0.5
133.02925	0.8
135.04539	1.1
136.01718	1.2
137.02489	1.2
138.03218	1.9
139.04028	7.7
149.02469	15.0
150.03246	84.9
151.03577	4.3
160.01657	1.3
164.04820	3.1
165.05589	100.0
166.05904	5.0
167.07172	1.8
170.96381	0.6
180.04314	7.0
181.05058	1.3
195.06638	67.9
196.06952	3.9
209.08025	0.8
212.04837	1.8
225.14888	1.1
227.12866	6.1
228.04387	1.1
228.13344	0.8
256.03738	2.6
259.09698	0.8
267.06769	0.9
269.08118	1.1
271.09720	1.8
282.08932	0.8
283.08142	0.9
286.08276	0.7
287.09094	0.8
287.14926	0.7
297.07703	3.1
299.09274	0.7
311.09311	5.3
312.09863	2.5
315.08734	3.2
316.09354	0.7
325.10651	0.9
326.11636	2.3
327.08740	6.9
327.12329	1.4
330.11050	11.2
331.11435	1.2
342.11118	2.3
345.13428	47.2
346.13834	5.1
357.13406	17.2
358.13849	3.0
369.64282	0.6
371.11292	2.4
375.14505	6.3
493.18430	0.7
523.19653	2.3
553.22485	1.0
571.23621	18.5
572.23834	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	570.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51979	0.1
56.78699	0.1
59.01367	0.2
59.06462	0.1
61.98830	100.0
71.14804	0.1
71.74970	0.1
78.95941	0.1
96.96040	0.2
100.19184	0.1
152.99602	0.1
201.58159	0.1
211.13417	0.2
273.81393	0.1
351.51810	0.1
369.18311	0.1
450.61758	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	570.35
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79084	0.1
52.80924	0.1
57.87112	0.1
59.01374	0.3
61.98830	100.0
62.98531	0.2
71.01389	0.1
138.05630	0.2
162.22462	0.1
193.95654	0.1
231.60400	0.1
419.42642	0.1
419.77744	0.1
421.91132	0.1
548.94849	0.1
570.25946	0.2
571.28241	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.1
59.01380	2.9
60.01710	0.1
61.98833	100.0
62.98540	0.7
62.99259	0.2
63.99258	3.1
71.01395	0.9
71.76353	0.1
71.76726	0.1
72.99319	0.1
73.02947	0.8
75.00877	0.1
83.01407	1.0
85.02966	0.3
87.00851	0.1
87.04531	1.2
88.04861	0.2
88.98820	0.2
89.02480	0.2
95.01381	0.1
99.00907	0.1
101.02451	0.9
108.02188	2.8
109.02985	0.2
111.75877	0.1
113.02446	0.5
114.02845	0.1
121.02909	0.1
123.04475	0.1
125.02467	0.4
127.08550	0.1
131.03574	0.1
138.01993	27.9
139.02357	0.7
143.03543	0.1
150.03172	0.1
151.00378	0.1
152.01228	0.1
153.01950	0.2
161.04585	0.2
165.05585	0.2
165.12863	0.1
167.10805	0.2
169.01447	0.2
207.13913	0.2
209.11900	0.2
217.06587	2.4
225.15060	0.4
227.12897	1.5
228.13445	0.1
233.11829	0.1
251.12852	0.2
269.13998	0.5
287.15009	1.7
288.15323	0.1
288.31909	0.1
293.13715	0.1
311.15036	0.2
329.15878	0.2
345.70007	0.1
371.17029	0.2
377.21826	0.3
378.21893	0.3
413.18396	0.1
431.19211	2.5
432.19513	0.3
509.36145	0.2
510.26096	0.2
510.36121	0.1
550.85693	0.1
570.21436	1.3
571.21527	0.3
571.28021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04727	0.2
57.03437	0.2
57.40430	0.2
59.01379	100.0
60.01707	1.3
61.98830	23.1
63.99280	0.2
71.01385	3.0
71.40078	0.3
71.40420	0.4
72.99335	0.5
73.02981	0.7
78.95918	0.3
83.01412	0.5
85.02952	1.2
87.00888	0.5
87.04513	0.2
88.98815	1.3
89.02449	1.4
96.96017	1.4
99.00892	0.3
101.02457	2.4
111.00934	0.3
113.02473	1.3
116.92923	0.3
119.03484	0.4
125.02467	1.1
131.03554	0.8
153.01947	0.2
161.04568	1.5
169.01524	0.5
209.11906	0.4
329.24893	1.1
377.19666	0.4
377.24640	0.3
453.30200	0.5
454.30316	0.2
471.31369	0.8
472.31165	0.3
485.29114	6.0
486.29529	1.5
509.31030	1.7
533.31140	6.3
534.31769	1.3
569.32428	2.4
570.32410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2608
Annotation	Hymenoratin B 2-O-[6'-O-acetyl-beta-D-glucopyranoside]
Peak:m/z	Relative Intensity
50.11129	0.3
55.01880	0.9
57.03450	1.3
58.00589	0.7
58.70124	0.3
59.01381	83.3
60.01715	1.5
61.98832	20.1
69.03450	0.6
71.01388	17.6
71.06999	0.8
72.99326	1.2
73.02950	9.3
73.03331	0.6
75.00891	0.5
83.01404	3.7
83.04957	0.4
85.02959	5.4
87.00893	1.1
88.98835	1.1
89.02457	11.5
93.03455	2.1
95.01391	1.9
97.06608	0.7
99.00893	0.8
99.04536	1.3
101.02457	11.0
107.05042	4.7
108.02232	0.5
109.06606	0.6
111.00880	0.5
113.02458	9.2
113.03230	0.5
119.03574	3.7
119.05039	13.8
120.05348	0.9
121.02953	0.4
121.06625	0.6
123.00918	1.1
125.02448	2.9
131.03514	1.2
137.02470	9.3
137.06093	5.7
137.07011	0.6
139.00449	0.5
143.03540	0.7
149.57570	0.4
150.03247	1.1
151.00375	0.9
152.01186	0.4
161.04579	1.0
165.05605	1.6
165.12912	1.9
167.03552	0.6
167.10840	0.9
169.01450	3.8
177.04062	0.4
179.05698	0.4
179.25565	0.4
189.12898	1.1
191.10928	0.5
195.06569	0.7
207.13928	2.3
209.11884	4.7
211.02536	0.5
211.74580	0.4
225.14975	7.1
226.15302	0.6
227.12901	29.0
228.13216	2.0
251.12851	0.6
269.13971	1.8
281.10309	5.7
287.15009	2.6
299.11487	1.8
341.12589	2.0
345.18686	0.4
373.13171	1.2
417.21555	0.8
431.19296	1.1
463.28790	0.4
489.07523	0.4
507.24249	0.6
509.33643	0.9
551.25061	7.9
552.25427	1.6
569.26154	100.0
570.26459	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	569.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17194	0.2
55.01870	0.4
57.03437	0.5
58.00575	0.3
59.01379	4.8
60.99297	0.6
61.98830	10.6
65.00303	0.2
67.01892	1.0
68.99810	0.4
69.03445	0.6
71.01382	4.0
71.03475	0.5
72.99315	0.7
73.02936	1.0
75.00878	2.3
79.01905	1.0
81.03465	0.2
83.01409	1.2
85.02967	1.6
87.00879	0.5
87.04492	0.2
88.98812	3.1
89.02438	1.2
93.03446	0.2
95.01403	1.9
97.02963	1.0
99.00896	0.5
101.02453	2.4
106.04208	0.2
107.01403	4.5
107.05053	0.6
109.02954	0.6
110.00111	0.4
111.00893	2.4
113.02450	1.2
119.03477	0.4
121.02982	5.6
122.03236	0.2
123.00902	14.6
124.01743	1.6
125.02463	20.2
126.02807	0.8
127.00414	0.9
135.04533	1.6
136.98012	0.2
136.98866	1.6
137.02484	2.9
137.06123	0.2
139.00391	3.9
139.03963	0.4
140.01178	3.0
141.01990	1.9
149.02451	0.4
149.99625	0.7
150.03247	1.3
151.00386	11.0
151.04080	0.5
152.00827	0.4
153.01965	0.9
154.99864	0.3
160.16853	0.2
161.02457	0.2
161.04547	0.2
163.04016	0.3
165.01955	0.3
165.05595	1.5
165.12849	0.6
166.99890	0.2
167.03488	0.4
168.00656	5.9
169.01442	26.0
170.01813	1.3
179.03546	0.5
181.05013	0.6
183.13934	0.9
193.01308	0.2
195.06612	1.1
197.04567	0.8
209.04594	0.2
209.11899	0.2
211.02481	6.5
212.00868	0.2
212.02811	0.4
223.02449	0.2
227.12875	0.6
238.03076	0.3
241.03592	0.2
251.12927	0.2
253.03540	0.5
271.04556	7.1
272.05023	0.4
293.14063	0.4
313.05460	1.7
343.08307	0.4
349.48987	0.2
358.10446	0.2
361.29373	0.4
371.17395	0.3
371.24307	0.2
373.12863	1.4
441.09351	0.3
493.20499	0.3
507.24542	2.3
509.33325	0.2
523.34845	1.1
524.35217	0.2
569.26172	100.0
570.26508	21.6
570.35742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2609
Annotation	Hymenoratin B 2-O-[6'-O-acetyl-beta-D-glucopyranoside]
Peak:m/z	Relative Intensity
52.24033	0.5
55.01864	0.8
57.03450	2.5
59.01381	58.1
60.01698	0.6
60.99310	1.5
61.98833	27.4
69.03476	1.1
70.39772	1.7
70.40156	1.0
71.01389	17.0
72.99332	1.0
73.02953	15.7
75.00882	1.0
81.03425	0.6
83.01402	5.3
85.02962	5.5
86.84505	0.5
87.00902	1.4
88.41044	0.5
88.98812	5.3
89.02458	8.7
93.03480	0.5
95.01409	2.7
96.96022	0.6
97.02988	1.1
99.00888	0.9
99.04559	1.3
101.02460	14.6
107.01427	1.7
107.05049	1.0
108.02191	10.2
108.02859	0.7
109.02988	7.0
109.06628	1.1
110.03304	0.7
111.00890	0.9
113.02464	8.7
113.03220	0.7
119.03558	2.1
119.05053	5.8
123.00903	4.3
123.04543	3.4
124.04886	0.8
125.02455	7.1
131.03481	1.3
135.04626	1.3
137.02449	1.3
137.06152	1.8
138.02080	0.8
139.00435	1.7
140.01207	1.5
143.03578	1.0
149.04617	1.1
151.00369	3.2
152.01187	11.5
153.01982	6.0
153.05577	3.2
154.05974	1.3
161.04645	2.1
163.04080	0.6
165.12920	0.7
167.10794	0.8
168.00719	2.3
169.01453	6.6
207.13939	2.6
209.11842	2.6
209.15614	0.9
211.02629	1.8
211.13474	2.0
216.07950	0.7
225.15051	5.0
227.12898	20.1
228.13300	1.2
233.11969	1.5
251.12933	1.1
269.13895	2.8
271.04681	1.5
278.60187	0.5
281.10437	0.7
287.15018	3.2
299.11356	3.2
341.12482	3.8
342.13043	0.6
377.25421	5.5
389.29587	0.5
393.84348	0.5
394.38782	0.6
407.20975	0.7
509.23370	0.7
509.30072	0.9
551.25018	6.2
552.25806	0.7
569.26257	100.0
570.26581	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	569.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03442	1.0
59.01381	3.6
61.98833	8.1
67.01888	0.7
69.03468	1.5
71.01382	4.4
72.99316	1.2
73.02962	0.9
75.00877	6.1
79.01897	0.9
81.03474	0.4
83.01396	0.8
85.02958	3.4
87.00895	0.7
87.04518	0.2
88.98817	0.4
89.02450	0.9
93.03462	0.3
95.01374	1.3
97.02967	1.4
99.00890	1.1
99.16703	0.2
101.02451	2.7
107.01403	8.0
107.75498	0.2
109.02942	0.4
111.00903	1.5
111.63933	0.2
113.02487	0.6
115.04021	0.5
117.01951	0.3
121.02969	0.3
123.00902	8.2
123.04588	0.3
124.01671	0.8
125.02464	40.0
126.02797	1.5
127.00413	0.3
129.01978	2.0
135.04572	0.3
136.98834	0.8
137.02455	1.7
139.00406	2.5
139.04065	0.3
140.01213	1.7
141.01967	1.4
150.03265	0.3
151.00395	5.7
151.04002	0.6
152.00807	0.2
153.01944	0.7
159.03014	2.2
163.03995	0.3
165.01933	0.4
165.05545	0.6
167.03482	0.5
168.00674	2.3
169.01447	62.9
170.01784	3.2
173.04526	0.2
177.04068	25.2
178.04382	1.1
179.03482	0.4
179.07047	0.2
180.04190	0.2
191.60220	0.2
205.06107	0.2
211.02478	2.9
223.02380	0.2
227.12848	0.5
237.58806	0.2
241.03534	0.5
263.54901	0.2
267.05042	0.3
271.04541	1.6
311.04062	0.5
313.05908	0.3
329.05209	5.5
413.67938	0.2
413.73627	0.2
415.14294	0.2
417.21417	0.3
431.18796	0.2
569.26105	100.0
570.26428	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	569.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
57.03434	0.7
57.61240	0.2
58.00592	0.3
59.01379	8.6
61.98830	7.5
64.66980	0.2
65.00322	0.5
66.78486	0.2
67.01885	0.8
68.99807	0.4
69.03449	0.8
71.01384	4.8
72.99308	0.7
73.02959	1.0
73.75139	0.2
79.01920	1.0
79.02341	0.2
81.03448	0.3
83.01389	1.2
85.02961	2.1
87.00875	0.6
88.98808	1.6
89.02462	1.7
91.91123	0.2
95.01384	2.2
97.02956	0.8
98.19852	0.5
99.00896	0.4
101.02460	2.7
107.01404	3.4
108.02209	0.3
109.02982	0.4
109.06660	0.2
110.00131	0.4
111.00887	2.2
113.02454	1.7
119.03498	0.4
123.00903	15.2
123.03319	0.6
124.01758	1.7
125.02462	18.8
126.02779	0.6
127.00375	0.7
135.04616	0.2
136.98856	1.5
137.02463	0.4
137.06084	0.2
138.05624	8.3
139.00385	4.0
139.04041	0.3
140.01192	3.0
141.01926	1.9
145.02924	0.3
149.99583	0.5
151.00392	11.5
151.04022	0.6
152.00864	0.3
153.01923	1.1
161.04578	0.4
163.04004	0.4
165.01906	0.2
165.05603	0.2
167.03470	0.4
168.00655	5.1
169.01439	26.6
170.01772	1.4
177.04042	0.7
179.03479	0.4
181.05029	0.5
181.08688	0.3
203.38538	0.2
209.04633	0.4
209.11819	0.3
211.00639	0.4
211.02498	5.5
223.02341	0.2
225.14967	0.6
227.12929	2.6
241.03568	0.3
253.03493	0.5
269.04590	0.3
271.04587	5.7
272.04929	0.6
282.09802	0.3
308.91235	0.2
313.05597	1.4
341.08759	0.4
377.25116	0.3
506.85364	0.3
539.22565	0.3
551.23236	0.5
552.24390	1.0
569.26105	100.0
570.26257	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	569.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19941	0.5
57.03456	1.0
58.00594	5.0
58.78011	0.5
59.01380	84.2
60.01723	1.4
61.98834	21.5
69.64301	3.2
69.64727	1.1
71.01386	64.1
72.01735	1.3
72.99318	3.9
73.02933	1.0
77.45274	0.5
83.01400	0.8
85.02957	7.4
87.00898	2.2
88.98837	1.5
89.02454	100.0
90.02801	1.4
95.01391	1.2
101.02451	7.4
107.01421	0.9
109.03024	0.9
113.02461	11.2
119.03523	3.3
121.03009	0.5
123.00905	3.4
125.02438	3.4
127.46233	0.6
131.03516	14.2
131.04436	0.9
137.02484	1.0
139.00421	1.2
140.01199	0.9
141.01918	0.6
147.04500	0.6
149.02571	4.7
149.04578	20.5
150.03273	0.9
150.04877	0.8
151.00385	2.4
151.04041	1.6
153.05598	2.4
162.03503	0.6
165.05598	1.1
168.00688	0.8
169.01407	4.8
177.01952	27.4
178.02324	1.9
179.03616	0.7
181.05074	21.0
182.05722	2.2
191.03525	0.7
192.04298	19.9
193.04707	1.1
195.03050	0.7
195.06717	1.2
196.07425	14.5
197.08192	1.7
207.06630	20.2
208.06981	1.0
210.05411	1.6
211.09755	11.5
225.07668	3.8
338.55798	0.5
357.11673	1.3
523.21851	1.3
544.44012	0.7
569.26288	23.1
570.26489	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	569.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
58.00586	3.8
59.01380	97.4
60.01716	2.3
61.98831	67.1
71.01389	58.8
72.99309	5.4
73.02959	2.6
76.76817	1.1
83.01429	1.8
85.02953	9.7
87.00879	1.8
87.48295	1.2
89.02454	82.0
89.63771	1.1
99.92628	6.0
101.02447	14.9
109.02982	1.8
111.00924	1.3
113.02467	14.6
116.92877	100.0
117.36622	1.2
117.92872	4.4
119.03522	10.6
121.02970	2.2
123.00905	3.3
123.04559	1.7
124.01712	1.4
125.02492	6.5
129.16734	1.1
131.03520	15.4
133.02939	2.0
135.06718	1.7
139.00404	1.8
143.03539	1.3
145.02971	3.5
147.04596	1.4
149.04562	29.4
150.03207	3.6
151.00395	3.3
156.26851	1.3
161.02455	4.1
161.04561	2.2
162.03242	56.0
163.03687	2.2
165.05591	2.5
166.06339	12.4
169.01427	7.2
171.68263	1.5
177.05594	66.2
178.05931	1.5
179.05609	3.0
180.04301	2.3
181.05042	3.1
181.08684	7.1
195.06613	5.8
196.07283	1.7
209.11720	1.6
211.02551	1.3
211.09807	1.5
227.12796	3.6
228.13118	2.1
229.93416	1.5
312.31754	1.1
327.10568	1.3
377.15964	1.6
417.13998	15.9
418.14377	1.5
466.52185	1.3
509.19992	8.4
510.21118	1.6
521.20258	2.1
551.25781	1.4
568.26813	4.2
569.15308	9.2
569.26709	43.7
570.15515	2.2
570.27039	5.0
575.17401	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	569.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37702	0.4
58.00628	0.5
59.01378	18.5
61.47313	0.4
61.98830	20.7
69.03518	0.4
71.01384	4.4
71.20854	1.2
72.18514	0.4
72.99321	0.9
73.02947	3.6
75.00903	0.7
83.01391	2.4
85.02950	2.5
87.00880	2.3
87.31540	0.4
88.98860	1.9
89.02457	4.0
89.70376	0.4
93.03468	24.7
94.03871	0.7
99.04581	0.6
101.02460	3.8
103.04010	3.5
105.03511	1.0
107.05106	0.6
108.02223	0.8
109.03020	1.3
113.02506	0.8
116.92884	0.5
119.03568	1.4
119.05077	1.0
121.03017	0.7
123.00928	1.7
123.04562	0.8
124.01691	0.5
125.02447	4.0
134.69070	0.4
135.04587	1.3
135.59547	0.4
136.01712	1.0
137.02461	30.2
138.03326	2.4
139.00398	0.5
145.03021	0.6
145.05099	0.8
149.02454	4.7
149.06133	0.5
150.03273	3.9
151.00421	1.2
151.04021	7.1
152.04840	0.7
153.02007	1.0
153.05675	0.6
161.02458	15.3
162.03233	2.0
163.04041	3.8
163.06143	5.9
163.07512	0.7
164.04788	8.8
165.01962	2.9
165.05569	4.7
167.03577	0.8
167.10822	0.7
168.00697	0.8
169.01447	2.9
170.02177	0.5
175.04095	0.7
176.04797	13.4
177.02017	0.5
177.05595	9.1
178.06064	0.6
179.03500	24.3
179.07104	9.0
180.04099	2.4
181.05095	2.1
182.05844	2.3
183.06677	2.3
183.10353	0.4
191.07173	6.5
192.07465	0.5
193.05016	0.7
194.05843	34.2
195.06450	4.2
197.08253	1.7
204.41014	0.5
207.06561	0.8
209.08194	100.0
210.05351	1.1
210.08537	7.2
211.02403	0.6
211.06184	2.4
225.07689	2.8
225.11098	0.6
225.14984	1.3
227.12898	3.8
227.69225	0.5
242.57585	0.4
259.19196	0.7
269.13797	1.3
287.14960	2.8
328.11694	6.3
341.12366	1.3
341.69974	0.4
342.13235	3.1
343.14008	9.7
344.07126	0.4
344.14172	1.4
347.18457	0.9
355.11850	0.7
369.15335	0.6
371.11435	3.2
385.14990	0.6
397.15097	10.7
398.15134	1.7
431.19302	2.5
446.92172	0.4
507.18387	0.6
521.19183	1.6
533.20129	2.1
551.20667	1.7
569.22089	16.8
570.22546	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	569.1883
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
55.01868	0.6
58.00577	0.4
59.01087	0.4
59.01378	6.9
61.98833	3.5
65.00334	0.4
67.01878	1.0
68.99814	0.6
69.03441	0.7
69.58336	0.6
69.58744	2.2
71.01385	6.1
72.99302	1.3
73.02957	1.6
77.05672	0.3
79.01897	1.4
82.00564	0.3
83.01387	1.3
84.38540	0.3
85.02956	2.1
87.00869	1.3
88.98786	0.6
89.02453	4.4
93.03429	0.5
95.01415	2.1
96.96022	5.2
97.02945	1.0
99.00880	0.8
101.02454	2.8
107.00684	0.5
107.01399	6.4
109.02968	0.6
110.00097	0.5
111.00900	3.6
113.02478	1.7
115.89617	0.3
116.92878	4.9
117.92905	0.4
119.03526	0.9
119.05013	0.4
120.57269	0.3
121.02990	3.3
121.88542	0.3
123.00900	15.5
123.04548	0.5
124.01732	1.6
125.02462	23.9
126.02798	1.1
127.00392	1.1
135.04529	1.0
136.98831	2.3
137.02438	1.2
138.03200	0.6
139.00394	5.7
139.04013	1.2
140.01184	4.7
141.01959	1.9
147.00879	0.3
149.02444	1.3
150.03217	2.5
151.00391	9.3
151.04050	0.6
151.36140	0.3
152.00926	0.4
153.01942	0.8
154.99867	0.4
161.04619	0.4
163.03992	0.9
163.06079	0.4
165.01942	3.6
165.05617	2.1
166.06364	15.1
166.99896	0.7
167.03494	0.4
167.07048	1.6
168.00661	7.8
169.01442	32.3
170.01768	1.2
171.10165	0.8
177.04129	0.3
179.03464	1.4
179.05710	0.4
179.20216	0.3
180.00505	0.3
180.04308	1.6
181.01479	0.5
181.05040	1.1
181.08711	6.1
182.02173	0.7
182.09055	0.3
183.02995	3.1
193.01419	0.3
195.03014	0.5
195.06641	3.2
210.05272	0.4
211.02489	4.2
225.04028	2.9
225.07681	0.9
241.03549	0.7
253.03589	0.4
271.04507	2.0
285.06204	1.7
313.05603	2.2
329.10510	0.4
343.14020	0.7
347.15085	0.4
359.15128	0.4
371.09958	0.7
387.09155	1.7
388.09903	0.4
397.13568	0.7
463.11066	0.4
467.74478	0.3
521.20270	6.7
522.20374	1.2
569.18781	100.0
570.19171	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	569.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
57.24466	0.3
59.01384	5.4
60.20078	0.3
60.99301	0.8
61.98831	33.6
63.99269	0.3
64.02476	0.3
67.01902	0.4
69.66779	2.7
71.01389	2.4
72.99310	0.5
73.02958	1.2
75.00865	0.4
83.01400	0.4
85.02966	1.0
87.00885	0.7
88.98825	4.2
89.02454	1.5
93.03468	1.2
95.01396	0.7
96.96017	0.8
97.03027	0.3
98.19867	0.6
101.02448	1.7
101.75900	0.3
107.01411	0.4
108.02179	0.6
109.02985	3.0
111.00918	0.8
113.02470	1.0
116.92873	0.4
119.05028	1.7
121.02980	3.6
122.03745	0.6
123.00897	2.6
123.04537	0.7
124.01685	0.7
125.02464	2.9
133.03018	0.4
135.04536	1.0
136.01685	4.8
137.02487	4.6
139.00410	0.5
139.04048	0.4
140.01237	0.4
145.03006	2.8
147.04546	0.7
149.02460	1.7
150.03267	2.7
151.00366	0.8
151.04022	8.4
152.01183	0.5
153.01849	0.4
155.14070	0.3
159.04515	2.7
160.05313	5.7
161.02394	0.8
161.06088	5.4
162.06453	0.6
163.04063	2.1
165.01889	0.6
165.05614	2.3
167.03519	0.3
168.00687	0.7
169.01460	2.5
169.04482	0.3
175.03998	3.6
176.04578	0.5
177.05569	0.5
179.03520	0.5
179.49498	0.3
180.04329	0.4
181.05042	1.6
181.12398	0.5
183.02881	0.4
183.10281	0.6
187.03993	0.5
188.04996	0.4
189.05588	1.3
193.01505	1.5
195.06697	1.6
207.03001	0.6
208.03819	0.8
223.06117	0.5
225.11299	0.7
227.07245	0.7
227.12947	0.4
236.57687	0.3
239.07202	0.5
243.12483	0.8
253.08583	0.4
264.07834	0.4
267.06613	3.9
268.07135	0.5
281.08194	0.9
282.05710	0.4
282.08829	1.6
283.09738	0.8
297.07669	4.6
297.11374	1.3
298.08191	0.5
311.09274	1.3
312.10040	8.6
313.10654	1.1
327.12439	1.3
341.10229	0.7
355.12247	0.4
356.09030	16.6
357.09250	2.1
371.11359	100.0
372.11722	14.3
372.16589	0.7
373.12930	0.7
389.12259	0.6
446.95679	0.3
467.43143	0.3
509.33484	1.3
521.17700	0.5
533.16638	15.6
534.16888	2.8
551.21991	0.6
569.10541	0.6
569.23395	8.3
570.22778	1.1
578.73639	0.3
587.94513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
58.00602	0.8
59.01380	7.2
59.08862	0.6
61.98829	100.0
71.01385	8.9
72.99313	3.0
73.02947	1.1
75.00879	10.1
79.95715	0.6
83.01431	0.7
85.02963	11.9
87.00884	4.4
89.02426	3.4
95.01382	3.1
96.96008	0.9
99.00893	6.3
103.00378	1.5
104.37949	0.6
113.02464	15.7
117.01953	2.5
129.01967	1.3
157.01358	0.6
167.13139	0.5
175.02403	1.2
205.07106	1.1
223.08310	0.7
249.06158	2.1
255.23280	45.0
256.23575	4.4
267.07120	3.2
481.30859	0.7
487.28625	1.1
505.30109	98.7
506.30432	18.6
567.28668	0.7
568.28571	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	568.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98832	100.0
62.98545	0.1
71.01392	0.3
85.02922	0.1
89.02446	0.3
101.02480	0.3
113.02497	0.2
119.03517	0.1
127.16955	0.1
131.03560	0.1
151.00281	0.1
161.04500	0.1
169.01558	0.1
184.02037	0.1
197.08258	0.1
243.30835	0.1
508.35489	0.2
569.25018	0.2
569.32227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
60.01721	0.1
61.98832	100.0
62.98532	0.2
69.46294	0.7
71.01386	0.4
85.02974	0.2
85.03535	0.1
87.04535	0.3
89.02473	0.1
101.02464	0.2
104.88985	0.1
113.02514	0.1
113.26520	0.1
123.00977	0.1
123.04506	0.1
125.02467	0.2
153.01848	0.1
160.46751	0.1
169.01489	0.1
173.49142	0.1
186.66830	0.1
330.48593	0.1
376.24594	0.1
508.35565	0.5
568.24976	0.4
569.26038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07915	0.2
59.01377	0.9
59.24092	0.2
61.98829	100.0
62.98554	0.2
77.55022	0.2
82.47426	0.2
96.96015	1.2
111.27850	0.2
112.20394	0.2
184.31458	0.2
198.30026	0.2
273.14029	0.2
385.99533	0.2
517.60992	0.3
544.57806	0.2
568.30878	0.4
569.31635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05912	0.1
57.03458	0.1
59.01379	1.9
60.99331	0.1
61.98831	100.0
62.98537	0.2
62.99249	0.1
63.94841	0.1
63.99278	0.1
71.01389	0.7
71.72105	0.1
72.99315	0.1
73.02953	0.3
75.00903	0.1
81.03493	0.1
83.01413	0.2
83.05099	0.1
83.06805	0.1
85.02985	0.3
88.98828	0.5
89.02440	0.4
93.03466	0.9
93.03989	0.1
94.82329	0.1
95.01396	0.1
97.02989	0.1
101.02465	0.4
101.74162	0.1
105.93851	0.1
108.02191	0.2
109.02961	0.2
111.00904	0.2
111.72419	0.1
113.02487	0.2
116.92857	0.1
119.03600	0.1
119.05027	0.8
121.02947	0.3
121.70162	0.1
123.00897	0.5
123.04549	0.1
125.02480	0.8
126.02819	0.1
135.04518	0.3
136.01695	0.1
137.02463	1.7
137.03491	0.1
137.06071	0.6
138.05623	0.1
139.00397	0.1
140.01125	0.1
145.02986	0.1
149.02567	0.1
150.03320	0.1
151.00409	0.3
151.04057	0.2
152.01068	0.1
153.01961	0.1
161.04613	0.1
163.03998	0.1
165.05670	0.2
168.00719	0.2
169.01442	1.0
170.01721	0.1
177.02016	0.1
179.03596	0.1
179.07240	0.1
181.01413	0.2
195.06702	0.1
207.06596	0.1
207.13940	0.1
209.11914	0.1
211.02501	0.1
227.12907	0.5
259.19257	0.1
269.13980	0.1
271.04633	0.1
273.20715	0.1
285.03842	0.1
286.04376	0.1
287.15002	0.1
346.17371	0.1
417.21579	0.1
505.22937	0.1
509.20255	0.2
509.33511	0.3
551.21600	0.1
568.11432	0.1
568.24817	1.5
568.33807	0.1
569.11975	0.1
569.24554	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	568.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07862	0.1
57.03440	0.1
59.01374	1.2
60.99233	0.1
61.98833	100.0
62.98528	0.2
63.56178	0.1
68.62550	0.1
69.51183	1.1
71.01396	0.5
73.02962	0.2
87.00920	0.1
88.98811	0.3
89.02466	0.3
93.03479	0.7
101.02465	0.3
108.02264	0.2
113.02443	0.1
119.05038	0.6
121.03019	0.3
123.00861	0.2
125.02504	0.5
131.53136	0.1
135.04518	0.2
137.02464	1.4
137.06146	0.3
151.00430	0.4
152.01128	0.1
165.05685	0.2
168.00732	0.2
169.01460	0.7
181.01503	0.1
219.04109	0.1
225.15120	0.2
227.12968	0.4
239.44595	0.1
252.98505	0.1
309.24048	0.2
567.34253	0.1
568.25232	1.1
569.24719	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	567.318
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59988	0.4
58.27438	0.4
59.01378	100.0
60.01730	1.2
61.98830	50.4
64.79990	0.4
77.87774	0.5
79.95747	0.5
83.05051	0.7
96.96036	2.3
97.06562	0.4
129.99657	0.4
142.62233	0.5
149.31956	0.4
165.12993	0.5
171.10286	1.0
179.14502	0.9
195.13972	1.3
205.12270	2.6
206.20125	0.5
209.11842	21.3
210.12245	1.3
218.47926	0.5
222.57597	0.5
223.13388	25.2
224.13806	1.8
227.12865	3.5
243.46367	0.4
261.15015	0.6
297.17087	0.8
331.64731	0.4
342.39352	0.4
419.59189	0.5
433.61581	0.4
453.70969	0.4
463.89172	0.5
489.29120	0.6
504.34265	0.5
507.29785	0.7
507.37015	0.5
547.78101	0.5
567.30017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73073	0.5
55.01880	0.7
57.03450	1.6
58.00566	0.6
59.01379	68.9
60.01730	0.8
69.03472	1.5
69.49586	4.7
71.00986	0.7
71.01382	11.8
71.01753	0.9
72.99300	0.8
73.02958	6.0
83.01398	1.8
85.02950	5.4
87.00882	1.0
87.04520	3.9
89.02453	10.2
89.02983	0.7
95.01402	1.2
97.02962	0.9
99.00894	1.1
99.04525	1.5
101.02447	9.7
103.23020	0.5
109.06589	0.5
113.02454	6.2
114.93448	0.8
117.05585	3.4
119.03526	3.3
125.02496	0.6
129.05617	0.5
135.06665	11.0
138.64989	0.4
143.03511	1.6
154.31940	0.5
161.04544	2.3
161.17676	0.5
165.12898	0.7
177.07668	0.7
179.05624	1.5
189.12750	0.7
207.13922	1.2
209.11835	4.2
225.14906	5.5
227.12891	22.2
228.13191	2.3
251.12880	0.5
269.13824	1.3
279.10867	4.6
287.15009	0.9
297.11905	7.1
298.12167	1.0
339.12836	1.8
549.25531	5.0
550.26227	0.6
567.26617	100.0
568.26947	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	567.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03453	2.1
57.85730	0.5
58.00597	1.0
59.01381	89.1
60.01732	0.9
61.98830	2.4
69.03470	0.7
69.43802	3.9
69.44216	1.6
71.01386	18.4
72.99309	1.2
73.02950	8.4
75.00874	0.6
81.03471	1.5
83.01389	3.4
85.02959	8.3
87.00896	1.8
89.02456	15.5
95.01411	1.0
99.00871	0.8
99.04539	3.1
101.02459	13.6
103.04057	1.3
113.02469	7.5
115.04002	0.7
117.05594	1.8
119.03532	5.5
125.02383	1.1
131.03537	1.0
132.24515	0.6
135.06653	13.6
143.03506	1.3
149.04498	0.6
159.03059	0.7
159.06683	1.6
161.04584	3.0
164.12379	0.5
165.12871	1.6
177.07651	1.6
179.05609	1.7
187.06096	0.5
189.12930	0.7
201.07666	0.9
207.13918	1.5
209.11848	3.6
219.61937	0.6
225.14972	6.3
227.10658	1.3
227.12889	23.2
228.13211	1.3
229.52466	0.6
251.12857	1.0
269.14075	1.7
279.10864	4.5
287.14996	2.3
297.11899	8.2
339.12970	1.3
414.35736	0.6
491.45392	0.7
549.25494	4.9
567.26624	100.0
568.26947	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	567.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69070	0.2
55.01871	0.5
56.26110	0.2
57.03444	0.9
59.01083	0.3
59.01381	7.2
61.98831	20.7
63.99238	0.3
65.00333	0.4
67.01885	1.1
68.99809	0.4
69.03448	0.9
69.42671	0.4
69.43078	2.3
71.01383	6.4
72.99297	1.4
73.02953	1.4
75.00875	1.9
78.00686	0.2
78.91897	0.5
79.01895	0.7
81.03460	0.2
83.01386	1.2
84.95580	0.3
85.02956	2.6
87.00862	0.9
87.04520	0.4
88.98796	1.8
89.02442	2.4
93.03449	0.3
95.01389	1.7
97.02951	1.2
99.00880	0.9
99.04469	0.3
101.02460	3.7
102.02814	0.3
107.01386	3.0
107.05017	0.3
109.02952	0.8
110.00105	0.4
111.00892	4.4
113.02447	2.1
119.03475	0.5
119.05089	0.3
120.99651	0.4
121.03017	0.3
123.00902	11.8
123.04504	0.5
124.01722	1.9
125.02465	15.8
126.02776	0.5
127.00416	1.5
131.03513	0.9
136.01688	1.0
136.98848	2.5
137.02455	1.0
138.03273	0.2
139.00389	5.4
140.01176	6.3
141.01984	1.3
145.03008	0.3
149.02496	0.4
150.03221	0.6
151.00385	8.0
151.04001	1.0
152.01004	0.4
153.01939	1.0
154.99931	0.3
159.02995	0.7
159.55009	0.2
161.04544	0.7
163.04013	0.8
164.04779	0.3
165.05594	0.4
166.02811	0.3
166.99916	0.3
167.03461	0.3
168.00656	11.5
169.01440	25.5
170.01750	0.7
171.12270	0.2
177.04070	2.5
179.03545	0.5
181.01456	0.7
181.05080	0.4
193.01422	0.4
211.02489	6.2
211.13406	0.4
241.03551	0.4
242.86667	0.3
249.06216	0.2
253.03520	0.4
267.05121	0.4
271.04663	2.1
273.18875	0.7
283.04935	0.5
297.06116	1.1
313.05554	1.2
327.10880	0.3
329.05212	1.4
357.08304	1.1
375.20117	3.8
404.14252	0.5
405.14551	1.3
405.19186	0.6
411.12851	0.5
455.15598	1.4
456.16025	0.3
479.19037	0.4
481.16809	0.6
497.20325	2.2
498.20688	0.3
507.24377	0.7
567.24518	100.0
568.24847	17.0
575.04633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67348	0.6
55.01871	2.2
57.03438	3.6
57.43194	0.6
59.01380	46.1
61.98832	78.4
63.99235	1.0
69.41527	6.6
71.01388	30.2
72.99298	1.3
73.02953	12.2
75.00892	0.9
78.42473	0.6
81.03460	1.8
83.01391	7.2
85.02957	17.8
87.00885	1.6
87.04519	3.0
88.98825	1.7
89.02454	6.6
93.03475	1.7
95.01388	4.6
97.02959	1.2
99.00911	4.2
99.04516	1.0
101.02458	21.2
102.02809	1.1
107.01482	0.6
107.05018	0.7
108.02190	32.9
109.02975	43.5
110.03319	1.0
111.00892	2.6
113.02467	13.0
119.03513	1.5
121.02960	1.8
122.03783	1.0
123.00919	3.8
123.04546	37.3
124.04889	1.7
125.02464	5.9
129.01979	0.8
131.03535	2.0
133.03027	0.7
134.02492	0.6
135.04552	1.4
136.01643	0.7
137.02449	1.7
137.09737	0.8
140.01193	1.0
143.03481	1.2
145.02907	1.1
150.03232	2.5
151.00386	1.3
151.04022	1.6
152.01181	40.2
153.01976	32.4
153.05598	41.6
154.02322	1.5
154.05949	2.1
155.10802	1.5
159.03033	2.4
161.04559	5.7
161.05768	0.8
163.03984	1.3
165.02000	2.1
165.05556	2.8
165.12891	1.1
168.00648	1.9
169.01440	3.1
177.02025	0.7
179.03575	0.5
180.04344	0.9
181.78175	0.5
183.10396	0.7
195.06657	2.5
199.09784	0.6
207.13904	1.4
209.11797	2.0
213.14954	1.7
213.18724	1.2
233.11861	1.9
243.12381	1.3
251.12920	1.2
269.14014	2.4
297.06393	0.8
297.09756	1.7
299.25876	0.8
315.07211	5.3
315.10928	3.2
345.30127	2.7
357.12006	3.0
371.11508	1.4
375.23871	4.1
413.18213	1.4
434.28305	1.4
435.29291	7.8
507.35327	74.4
508.35641	12.2
519.16504	1.4
567.24548	100.0
568.24890	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	567.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03450	3.4
58.00586	1.0
59.01382	99.3
60.01729	0.9
61.98837	6.0
66.82688	0.6
69.03460	2.2
71.01391	22.6
71.75242	0.9
72.99335	1.4
73.02956	10.6
75.00882	7.4
81.03471	0.8
82.76065	0.6
83.01392	4.1
83.05026	0.9
85.02969	10.2
87.00887	4.5
87.04536	3.8
88.98821	6.2
89.02452	14.7
89.02964	0.8
94.79900	0.7
95.01405	1.7
97.02993	1.2
97.06616	1.1
99.00867	1.7
99.04551	3.4
101.02456	16.9
101.03053	1.0
108.02246	0.6
109.03068	0.9
111.00952	1.6
113.02467	10.9
117.05571	3.7
119.03535	5.3
123.00978	1.3
123.04630	0.9
124.01729	0.9
125.02442	3.3
126.33322	0.6
129.05618	1.1
131.03571	1.1
135.03008	1.4
135.06665	10.6
135.71410	0.7
137.02470	0.9
137.09778	0.8
139.11324	7.0
143.03596	2.1
151.00459	0.9
151.04117	0.9
160.01753	1.6
161.04596	4.3
165.01985	1.0
165.05646	0.8
165.12846	1.6
167.07222	2.6
169.01501	2.3
169.12610	0.8
179.03625	1.5
179.05701	1.6
181.12427	3.4
183.10291	10.0
187.09869	0.7
189.12993	0.9
190.82088	0.7
195.06734	1.7
199.13515	1.8
207.13947	3.8
209.08334	1.4
209.11824	6.1
225.07805	0.9
225.11383	5.9
225.14920	6.7
227.12904	27.4
228.13347	2.1
243.12378	25.5
244.12813	1.1
251.13075	1.4
267.06937	0.7
267.12753	0.8
269.13904	4.5
271.10007	1.0
279.10840	4.0
282.09241	0.9
283.09845	1.4
285.13440	8.4
287.15057	7.6
296.91885	0.8
297.08456	2.1
297.12207	6.0
299.09634	0.9
310.08682	1.4
311.09222	10.7
312.06693	0.6
312.09763	3.5
315.14801	2.1
326.11505	3.4
327.08783	11.2
327.66815	0.7
328.09326	0.9
339.09674	0.8
339.13358	1.7
342.07816	0.9
342.11011	3.2
345.15607	8.0
357.13461	25.7
358.13724	3.3
387.16492	1.0
405.17850	18.0
406.18344	1.9
415.12582	0.9
447.19550	0.7
449.20615	1.0
477.19623	4.3
531.24683	1.0
549.25806	7.5
567.26941	100.0
568.27124	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	567.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41385	0.8
55.01878	1.2
57.03448	3.5
58.00594	1.7
59.01381	100.0
60.01717	1.9
60.24929	0.7
60.99319	0.8
61.98836	5.6
62.39280	0.7
67.01942	0.7
69.03452	0.9
69.67792	1.9
69.68211	4.5
71.01386	19.9
72.99320	2.1
73.02955	9.2
75.00888	7.9
81.03441	1.0
83.01406	3.8
85.02959	7.9
87.00874	3.4
87.04539	2.9
88.98827	3.9
89.02462	15.5
95.01419	1.6
95.05082	0.9
96.96016	0.7
97.02982	1.3
97.06590	0.8
98.19849	1.1
99.00921	2.0
99.04548	2.5
101.02463	18.2
108.02246	0.8
109.06563	1.0
111.00910	1.3
113.02475	11.1
117.05568	3.5
119.03512	4.1
121.02953	0.8
123.00909	1.5
125.02503	3.4
131.03539	2.0
135.03061	1.0
135.06660	7.9
135.08183	0.9
137.02560	0.9
139.11292	9.1
145.03001	1.1
149.04605	0.8
151.00465	1.8
151.04158	0.8
151.98845	0.7
152.01205	1.0
153.09180	1.0
160.01675	1.3
161.02502	1.6
161.04596	3.0
161.66090	0.7
165.02000	1.3
165.09254	0.8
165.12883	1.9
166.05128	0.9
167.07224	2.2
169.01476	1.9
179.03543	1.1
179.05682	1.3
181.04984	0.8
181.12337	5.7
183.10268	12.6
189.12854	0.9
199.13441	2.6
207.13965	3.2
209.08235	1.8
209.11888	5.5
225.11388	7.4
225.14952	6.0
226.11563	0.8
227.12903	23.1
228.13251	1.9
243.12383	34.2
244.12775	3.0
251.12701	1.2
269.13965	5.7
271.04907	0.9
271.09897	1.4
279.10977	3.2
282.09073	0.9
285.13486	13.0
287.15033	7.3
297.08411	2.0
297.11975	5.3
310.08466	1.3
311.09271	8.6
312.10132	2.2
315.14554	1.6
325.10864	1.1
326.11691	3.0
327.08755	8.7
327.12271	1.1
328.09308	1.1
339.09268	1.0
339.12994	1.1
341.10138	1.0
342.11118	2.9
345.15576	9.7
346.16141	0.8
357.13470	17.3
358.13791	1.7
405.17819	23.2
406.17984	3.2
415.12302	0.8
449.20322	1.5
477.19623	4.0
478.19720	0.9
507.21521	0.9
549.25824	4.1
567.25531	63.5
568.25647	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	567.209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89974	0.5
55.01888	0.5
57.03455	1.5
59.01379	13.0
60.01723	0.4
61.98831	41.7
69.03482	1.0
69.41383	0.8
69.41800	3.4
71.01385	6.4
71.05040	0.4
72.92989	0.4
73.02959	2.3
81.03484	1.1
83.01411	1.4
85.02966	4.0
87.00875	0.7
88.98826	0.6
89.02486	1.3
93.03493	1.0
95.01393	2.6
97.02992	0.4
99.00912	0.9
99.04551	1.0
101.02450	3.5
107.01463	0.6
107.05069	0.6
108.02187	45.2
109.02977	33.4
109.03751	0.8
109.06608	0.9
110.03289	0.9
111.00925	0.7
113.02474	2.5
119.03473	0.5
120.05686	0.5
121.02995	1.3
121.06622	0.9
123.00919	3.8
123.04534	1.7
124.01685	1.3
125.02457	3.5
130.08371	0.4
133.03020	0.6
135.04497	0.8
137.02432	0.5
139.00374	0.9
140.01178	0.6
149.99586	0.6
151.00389	1.4
151.04021	1.7
152.01172	63.9
153.01965	26.3
153.05542	0.5
154.02296	1.2
159.03015	0.5
161.04599	1.2
163.04012	1.1
165.01961	1.1
165.12878	0.9
168.00659	2.6
169.01472	3.1
177.01999	0.6
189.12837	1.3
191.10857	0.6
207.03113	0.4
207.13884	2.4
209.11836	1.9
211.02527	0.5
225.03899	0.5
226.70815	0.5
251.12787	0.7
269.13818	0.6
285.03995	1.3
297.06125	0.5
300.02490	0.5
315.07196	16.5
316.07407	1.8
373.22089	0.5
374.22430	0.6
375.23364	1.5
424.42160	0.5
435.29556	1.0
483.15967	0.5
505.20490	1.8
506.20789	0.5
507.18243	2.4
507.26306	0.7
523.21906	4.4
524.21460	0.8
549.19153	1.2
567.20599	100.0
568.20953	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	567.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10408	1.2
56.20784	0.9
57.39523	1.0
58.00573	1.5
59.01382	14.9
61.98830	6.3
64.15425	0.9
70.03188	4.7
71.01390	9.7
72.99325	9.3
73.02953	2.4
74.48714	0.9
74.99075	1.7
75.82944	1.0
78.95907	4.8
83.01399	1.2
85.02940	2.5
87.00899	3.3
89.02456	6.0
93.03483	1.4
96.96026	39.8
96.96968	6.3
97.02997	1.6
99.00886	2.0
101.02455	5.4
103.00388	5.1
105.65694	1.2
107.01414	1.1
107.05083	1.1
109.02994	1.4
111.00902	3.1
113.02478	3.6
116.92907	1.2
121.02952	2.2
122.06159	6.2
123.00887	3.9
124.01676	1.8
124.07700	1.5
125.02486	6.1
135.04486	1.7
137.02467	2.3
139.00363	2.1
139.04042	1.2
144.04448	1.5
146.06137	3.3
148.04074	1.4
150.05650	1.7
151.00372	1.1
151.04063	1.9
160.04039	2.3
161.06100	1.3
162.05650	2.7
163.04057	1.2
165.01991	1.5
165.05482	1.3
166.02736	2.1
168.00693	2.2
169.01476	7.3
172.04015	3.0
173.04747	1.5
174.05621	3.9
176.07123	1.4
177.01950	1.9
181.05070	2.3
183.03055	1.9
186.05586	2.2
190.05092	2.7
191.03510	2.3
193.01512	1.3
199.09837	1.3
202.05089	3.1
204.06683	8.3
205.05161	2.4
206.05771	1.2
211.06012	1.4
216.06657	3.0
218.04646	1.6
221.08099	1.1
225.07877	1.4
227.08214	1.3
229.13467	1.8
232.06104	1.7
235.17267	1.1
237.10329	1.9
237.13844	1.3
238.11038	1.9
239.05695	1.3
240.05365	1.3
241.09764	2.1
246.04178	1.2
247.04791	1.3
249.06819	1.2
251.11859	1.4
253.09857	1.6
253.13422	4.8
255.07832	1.9
255.11472	3.5
265.09869	1.9
265.13553	1.6
267.07837	3.8
267.11365	4.2
269.09415	1.9
269.12955	2.7
273.04059	1.4
278.06747	2.2
279.07605	2.2
281.09293	4.0
281.12637	1.4
282.10095	3.5
283.10904	5.4
285.12225	1.3
293.09366	8.1
294.09964	2.2
295.10867	4.3
297.07587	1.9
297.12451	27.6
298.12866	2.8
300.99728	1.9
309.12500	11.2
310.12747	1.7
311.10413	15.0
313.06070	1.3
313.12296	1.3
323.10318	3.5
325.11935	19.6
326.12122	2.4
327.08957	1.9
327.12717	2.4
329.15057	1.9
335.10233	1.4
337.11975	2.3
339.13449	4.5
341.11316	2.9
342.11218	3.8
343.12762	3.0
351.09341	1.3
353.11411	13.3
355.13052	9.8
356.13318	1.2
357.13449	22.5
358.13907	1.9
359.50864	1.0
367.12686	1.4
369.10910	6.5
375.14575	2.0
377.11319	1.4
385.14291	1.7
387.11176	10.1
387.15353	1.5
388.12659	1.3
397.10443	4.1
399.11935	3.9
401.13663	5.0
405.15369	4.3
415.15469	1.6
429.13022	6.6
431.14496	4.4
447.14035	16.6
448.14301	2.3
473.15744	2.5
487.17200	1.2
491.16785	4.3
505.10086	4.5
517.14868	5.6
531.16431	1.6
535.15436	3.2
549.17224	67.8
550.17432	11.0
567.18250	100.0
568.18610	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	566.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.9
60.01707	0.2
61.98832	100.0
62.98524	0.2
63.99277	0.2
69.73216	1.0
71.15074	0.2
73.23191	0.2
83.15063	0.2
96.96025	0.7
120.80486	0.2
186.31313	0.2
223.32616	0.2
225.69356	0.2
423.48737	0.2
433.31812	0.2
485.32794	0.2
488.34686	0.3
503.34009	0.2
567.33112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
57.03445	1.2
58.00594	1.0
59.01380	30.8
60.01713	1.7
60.99306	9.7
61.01793	1.3
61.98833	62.4
63.45264	0.5
64.70120	0.6
65.03965	1.0
67.01885	1.7
69.03461	1.5
69.47293	2.8
69.47713	3.0
71.01386	17.3
72.01722	0.7
72.99309	1.4
73.02953	6.6
75.00881	1.3
79.01888	1.6
81.03450	1.4
83.01393	2.5
85.02956	5.6
87.00890	1.6
88.98814	70.1
89.02458	10.0
89.99143	0.9
91.01903	7.1
93.03481	0.6
95.01402	3.6
97.02966	1.6
99.00883	2.4
99.04509	0.8
101.02460	9.4
107.00684	1.1
107.01402	16.5
107.05039	2.1
108.02175	1.9
109.02971	11.1
111.00899	6.8
113.02446	6.1
116.92880	1.3
119.03501	2.4
119.05011	1.0
120.99664	0.9
121.02951	2.4
123.00901	22.4
123.04514	2.2
124.01653	2.3
125.02464	51.1
126.02824	2.0
127.00420	1.0
131.03549	4.5
135.00902	20.9
135.04512	1.2
136.01683	0.6
136.98836	0.8
137.02438	2.2
138.03117	0.7
139.00398	6.2
139.04059	0.9
140.01178	3.8
141.01909	2.4
143.03484	0.9
149.02461	1.5
149.04584	1.6
151.00389	17.9
151.04007	1.6
152.01166	1.0
153.01955	38.9
154.02306	1.0
156.19420	0.7
161.02434	2.3
161.04581	2.2
162.03220	0.6
163.04089	1.1
165.05550	1.0
167.03520	4.6
168.00642	4.7
169.01442	65.8
170.01810	2.9
175.02496	0.7
179.03540	3.1
179.05592	1.0
181.05005	1.1
185.11844	1.0
191.05589	0.8
194.05812	0.9
195.03058	0.9
197.06059	1.0
199.13416	1.9
203.12852	4.6
209.08183	3.5
211.02489	2.7
221.06551	1.0
223.02527	4.9
225.14839	0.8
227.12891	2.7
228.13228	1.4
229.13469	0.9
241.03560	1.2
243.02867	1.6
243.06660	1.7
267.16043	0.9
271.02151	1.1
271.04590	3.2
283.04556	5.7
285.03986	1.0
287.14902	1.1
288.15332	1.0
289.15475	1.0
301.05676	1.4
314.04279	2.1
325.11252	0.7
338.11636	0.7
343.06781	3.4
365.18182	14.4
366.18622	1.2
373.07697	0.8
374.22629	0.9
459.11343	3.6
477.10342	5.8
478.10669	1.1
503.19379	0.7
506.26547	0.9
507.26700	2.5
566.25336	2.4
567.17126	100.0
567.25122	51.0
568.17487	17.4
568.25275	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36456	0.4
53.09900	0.4
55.01888	2.4
57.03443	2.9
58.00577	1.1
59.01379	45.0
60.01700	0.5
61.98831	20.8
63.04472	0.4
67.82221	0.4
69.34984	4.0
69.35399	0.6
71.01386	30.0
72.99306	1.2
73.02950	9.2
75.00875	1.1
83.01396	5.5
85.02959	16.2
86.00084	0.7
87.00881	1.5
87.04551	0.5
88.98836	0.5
89.02448	7.2
95.01397	2.7
97.02946	1.1
99.00890	3.9
101.02456	23.1
102.02776	0.8
111.00899	1.9
113.02466	11.0
119.03513	2.9
119.79983	0.4
121.10255	1.2
125.02462	1.9
129.01939	0.9
131.03468	0.6
141.01959	0.5
143.03473	0.8
153.01935	1.5
157.12332	0.5
159.03026	2.9
161.04575	8.5
169.01413	1.7
179.05630	1.0
185.15508	1.0
279.23160	0.5
343.28555	4.8
373.22031	0.6
385.29706	0.5
392.67041	0.5
403.30347	0.7
411.86017	0.5
505.33801	100.0
506.34152	18.1
565.22906	2.8
565.36176	8.2
566.23438	1.1
566.36096	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	565.36
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12178	0.7
55.01860	2.1
57.03433	2.1
58.00579	1.9
58.52369	0.5
59.01376	74.8
60.01706	0.7
61.98512	1.0
61.98827	18.9
69.38867	5.2
69.39275	1.7
71.01382	46.8
71.16528	0.7
72.01705	1.0
72.99307	2.3
73.02947	8.3
75.00849	0.8
83.01395	5.7
85.02956	16.8
85.58826	0.6
87.00870	2.0
88.98806	0.6
89.02450	30.9
93.07108	1.1
95.01399	3.9
99.00916	4.3
101.02451	32.9
102.02776	0.8
104.03418	0.6
111.00915	0.7
113.02458	19.5
118.67015	0.6
119.03512	14.3
120.03811	0.9
125.02438	1.8
131.03502	1.8
143.03484	3.9
149.04582	1.4
159.02957	2.7
161.04568	15.3
162.04907	1.1
169.01410	0.8
179.05629	8.2
193.96997	0.6
213.18578	2.1
276.27060	0.8
343.28470	5.1
409.73972	0.7
433.28049	4.6
434.28516	0.7
505.33798	100.0
506.34109	21.1
565.22571	1.2
565.32776	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68508	0.7
50.92538	0.8
55.01882	1.9
55.23787	0.8
57.03457	5.0
58.00602	2.3
59.01381	90.0
60.01713	1.9
60.25484	0.9
61.98833	99.8
62.98540	1.2
69.03473	1.0
71.01389	53.2
71.05034	1.4
71.70163	1.1
72.01735	1.1
72.99324	4.0
73.02950	12.1
75.00880	1.3
77.93460	0.9
83.01395	6.8
83.05051	1.5
84.95148	1.0
85.02962	17.8
87.00883	5.7
88.98821	2.5
89.02452	29.6
89.03981	0.9
90.36480	0.8
93.03479	1.1
93.52287	0.8
95.01378	5.0
95.05008	1.5
96.96085	1.0
97.02972	1.5
99.00883	6.1
99.04524	1.0
101.02461	35.6
105.92874	0.9
107.01460	1.3
108.02194	18.0
109.02296	1.4
109.02986	15.5
113.02469	20.3
114.02805	1.2
115.03967	0.9
116.92899	5.4
119.03516	9.2
121.02973	13.7
123.00874	2.0
123.04540	41.3
124.01682	2.1
124.04858	1.8
125.02464	9.3
129.02048	1.2
131.03525	18.4
134.03737	1.4
135.04535	13.2
137.02502	4.4
137.09749	0.9
143.03503	3.8
147.04572	1.4
149.02477	1.2
149.04597	3.3
150.03259	3.0
151.00397	1.9
151.04051	1.2
152.01173	16.7
153.01973	15.8
153.05592	56.4
154.02278	1.1
154.05956	3.2
159.03011	3.6
159.11938	0.9
161.04558	18.1
161.09723	3.6
163.03979	1.7
165.05547	5.2
167.03539	2.9
168.00638	3.5
169.01424	3.9
171.76659	1.0
175.04042	1.8
177.01947	5.3
179.05594	2.1
183.13940	0.9
187.11320	3.7
189.09210	2.2
191.05673	2.1
205.12349	1.7
207.10242	1.0
211.02673	1.2
211.13470	1.0
211.17055	1.3
225.14996	2.7
227.12988	1.2
243.91971	0.8
249.11349	1.6
264.09988	1.1
271.04581	1.6
275.01782	1.1
300.99902	1.4
315.07245	2.4
315.10892	4.8
373.22327	100.0
374.22684	10.4
403.23209	1.5
411.16580	2.5
433.27817	2.3
502.23849	1.7
505.26440	48.1
506.26883	7.5
521.20184	1.9
565.22552	39.8
565.31952	3.2
566.23523	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	565.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95981	0.6
54.67474	0.6
55.01871	1.9
57.03445	2.5
58.00595	2.3
59.01381	86.5
60.01709	1.4
61.98833	73.2
69.40081	6.0
71.01386	46.3
72.01726	1.3
72.99305	3.3
73.02952	10.1
75.00891	0.9
83.01390	5.5
85.02958	15.4
87.00872	4.0
88.98820	1.1
89.02456	38.3
90.02788	0.8
93.03446	0.7
95.01411	3.3
97.02930	1.4
99.00891	5.5
101.02455	34.5
102.02814	1.0
107.01371	0.7
108.02189	10.5
109.02979	10.9
110.03314	0.8
111.00916	1.8
113.02472	18.8
114.02792	0.6
119.03519	13.0
119.04301	1.0
121.02963	1.6
123.00882	1.6
123.04494	0.8
125.02472	4.9
130.44118	0.6
131.03526	19.2
132.03877	0.7
135.04555	2.2
139.00381	1.6
140.01157	0.7
143.03531	3.4
147.04539	0.9
149.02498	1.4
149.04582	6.4
151.00388	1.4
151.04070	1.0
152.01193	11.7
153.01965	8.1
153.05621	0.6
159.03009	2.5
161.04588	12.3
161.05901	0.7
163.03978	0.7
165.05606	1.8
168.00667	1.2
169.01436	4.4
175.04059	0.7
177.01894	1.0
179.03506	0.8
179.05693	4.4
190.57686	0.6
191.05537	3.6
207.13988	0.7
211.13394	0.8
211.17081	0.9
221.06653	0.7
230.78880	0.6
233.93918	0.7
246.46350	0.7
277.50150	0.8
313.05887	1.0
315.07205	1.9
352.77942	0.7
357.08252	1.4
372.21344	0.8
373.22321	100.0
374.22638	12.5
403.13898	0.8
468.08878	1.9
502.20163	2.1
505.26520	46.8
506.26926	7.4
521.07300	0.9
521.20270	1.1
535.20673	0.6
536.20660	0.8
565.19995	11.3
565.31543	2.1
566.19391	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
55.03933	0.5
57.03448	2.2
58.00607	2.2
59.01381	100.0
60.01709	0.9
61.98833	5.2
69.39539	5.4
69.39948	0.6
71.01387	47.2
72.01749	0.9
72.99310	2.7
73.02953	10.8
75.00897	1.1
83.01398	5.8
85.02962	14.9
87.00902	1.7
89.02454	43.6
95.01410	2.2
97.02975	1.1
99.00890	5.7
101.02456	41.5
108.02212	1.9
109.02979	1.3
111.00902	0.8
113.02464	18.2
113.03227	1.1
115.00407	0.6
119.03522	8.5
123.04539	1.4
125.02491	2.4
129.01970	1.4
131.03522	43.4
132.03867	1.3
137.38589	0.5
143.03494	3.2
147.04562	0.7
149.04579	24.9
150.04932	0.8
159.03032	1.9
161.04578	10.3
161.05847	0.8
164.04762	0.5
169.70628	0.5
173.04704	0.6
174.55276	0.5
179.05635	9.7
191.05638	14.1
191.07317	0.8
192.05988	0.7
221.06726	1.4
251.07780	2.2
263.05710	1.0
264.06415	1.7
279.08853	2.9
283.06244	1.4
297.07736	0.8
311.09802	0.8
314.08002	2.3
329.10263	13.2
329.13968	0.7
330.10730	2.0
359.15204	1.8
371.11096	0.7
373.22333	55.5
374.22678	7.5
388.11700	3.4
403.14017	22.8
403.19449	0.8
404.14520	3.0
417.21530	1.8
505.26538	33.3
506.26819	6.0
565.18323	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03458	0.9
59.01379	100.0
60.01723	1.1
60.29800	0.4
61.98830	7.7
69.03471	0.3
69.33105	0.4
71.01389	7.4
73.02953	4.2
83.01421	1.4
85.02953	2.0
85.11286	0.4
87.00896	0.8
87.04535	0.6
89.02450	3.4
97.02979	0.5
98.20662	0.8
99.00916	0.6
99.04555	1.2
101.02459	4.8
101.06120	0.5
111.00904	0.5
113.02466	2.8
119.03558	1.2
121.02978	0.4
121.06675	0.4
125.02509	1.1
131.03552	1.1
133.05093	0.7
133.08777	1.3
136.01680	0.4
139.00403	0.4
139.07629	0.3
143.03658	0.3
151.04086	0.6
161.04573	1.6
165.12857	0.6
168.00674	0.4
169.01512	1.0
207.13943	1.3
209.11865	2.7
225.14967	2.9
226.15479	0.4
227.12897	12.8
228.13185	0.8
251.13005	0.5
269.08340	0.6
269.13913	1.7
275.02823	0.4
277.12906	0.5
287.14963	5.2
288.15518	0.4
295.10474	1.4
295.14114	1.0
311.09515	0.9
314.11691	1.1
326.11679	0.7
329.13895	4.0
330.14362	0.7
337.11703	0.8
337.15176	0.4
341.13916	2.0
373.22397	2.4
374.22769	0.5
403.27222	0.4
464.82291	0.5
483.65967	0.4
495.59897	0.4
505.26700	2.2
547.27777	1.5
565.28021	21.9
566.27081	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70516	0.6
55.01863	2.5
57.03430	1.9
58.00574	1.5
59.01380	53.2
60.01693	0.7
61.98830	4.7
69.58063	5.0
71.01385	40.9
72.01722	0.7
72.85996	0.6
72.99305	1.5
73.02950	13.5
73.88956	0.6
74.03277	0.6
83.01383	6.2
85.02956	19.5
86.03292	0.6
87.00880	1.9
89.02450	12.1
95.01382	2.4
97.02946	1.8
99.00877	7.4
101.02454	33.5
102.02756	0.9
111.00862	0.9
113.02454	15.8
119.03520	2.2
125.02464	2.1
129.01897	0.7
131.03516	22.9
143.03572	3.0
149.04570	2.5
159.03004	3.0
161.04578	13.4
287.14908	0.8
355.21231	1.0
373.22314	100.0
374.22592	12.6
417.21185	1.3
444.15564	0.7
476.72937	0.7
503.13699	0.8
505.26505	49.5
506.26797	8.0
519.35364	0.6
565.22961	5.0
566.23560	1.1
580.30347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.6
55.34057	0.7
57.03456	5.1
58.00606	1.6
59.01381	100.0
60.01700	1.1
61.98834	55.5
69.03456	1.3
71.01387	54.1
71.05027	0.9
72.01728	1.0
72.99323	2.3
73.02950	19.5
74.03316	0.7
83.01395	7.8
85.02961	29.1
86.03300	1.0
86.85967	0.7
87.00887	2.1
89.02461	13.3
95.01395	3.6
96.96043	1.2
97.02969	2.1
98.19857	3.2
99.00897	8.8
101.02460	34.6
109.61880	0.8
111.00917	1.6
113.02470	23.4
115.04062	1.4
116.92858	6.7
119.03519	4.8
123.00860	0.9
125.02453	4.5
129.01942	0.9
131.03529	38.0
133.05136	5.2
139.00453	1.2
143.03531	2.3
149.04561	1.7
153.01971	1.3
159.03072	3.9
159.04207	0.9
161.04587	20.2
162.04987	1.0
168.00687	1.4
169.01402	3.0
191.05617	0.9
196.79944	0.7
207.13916	2.2
209.11798	3.2
211.16978	1.1
225.14906	3.2
227.12903	13.2
228.13194	1.2
230.11688	1.0
255.19214	0.8
258.54175	0.8
269.13962	3.9
287.15024	16.6
295.10367	5.2
329.16113	1.6
337.11209	2.7
359.17047	0.9
373.22327	78.5
374.22598	8.2
389.18121	2.1
417.21338	5.1
449.20236	4.5
468.09085	1.3
505.26584	40.9
506.26959	5.9
545.59296	0.9
547.23828	1.7
565.15637	6.5
565.24701	43.5
566.16498	1.6
566.25061	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	565.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33738	0.4
55.01863	1.1
57.01723	0.5
57.03440	1.9
58.00589	1.3
59.01382	56.0
60.01702	1.5
61.98832	13.5
69.03447	0.6
71.01389	27.5
71.05010	0.6
71.07628	1.1
71.07957	0.6
72.01714	0.6
72.99305	2.0
73.02956	17.0
75.00832	0.6
81.03468	0.9
83.01411	5.2
83.05038	0.6
83.39205	0.5
85.02962	8.3
87.00874	2.0
87.04508	0.6
88.98843	0.5
89.02457	21.1
95.01401	1.6
97.02955	1.7
98.20586	0.6
99.00897	1.3
99.04531	2.6
101.02462	22.0
102.02809	0.6
103.04028	1.3
109.06625	0.6
111.00862	0.7
113.02468	9.9
114.02644	0.6
115.04012	0.7
117.01923	0.8
119.03514	6.8
121.06567	1.0
123.04589	0.5
125.02456	3.4
130.83832	0.5
131.03523	1.5
133.05075	6.0
139.00409	1.2
140.01228	0.6
143.03477	1.6
149.04553	1.5
151.04962	0.7
151.06146	12.5
152.01147	0.7
153.01945	0.6
161.02470	0.6
161.04588	3.4
165.12869	5.9
168.00624	1.5
169.01430	3.4
175.06142	3.7
179.05664	2.8
179.06966	0.6
189.12869	1.4
205.07097	1.3
207.06668	0.7
207.13919	7.6
208.14238	0.8
209.11870	6.8
211.02467	1.1
217.07144	0.7
225.14894	2.1
227.12891	5.0
235.06107	1.3
251.12947	2.7
269.13913	4.9
269.17480	0.8
270.14157	0.7
271.04590	1.6
287.15131	3.6
295.10370	13.9
295.13699	0.9
296.10733	1.3
313.05731	0.7
313.11401	9.1
314.11774	0.9
355.12390	4.7
388.18884	0.6
403.26831	0.9
415.47946	0.5
415.83200	0.5
467.08469	0.7
547.23944	6.4
565.16138	6.1
565.24969	100.0
566.16577	1.1
566.25360	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	565.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
57.03451	2.6
59.01382	100.0
60.01712	1.6
61.98833	11.1
62.54673	0.6
69.03460	1.3
71.01389	24.7
72.01746	0.8
72.99312	1.5
73.02953	13.6
79.01232	0.5
83.01408	6.1
85.02964	16.9
86.00092	1.2
87.00880	4.7
89.02460	7.4
95.01412	1.9
97.02965	1.8
97.06547	0.6
99.00909	3.7
99.04544	2.7
101.02457	19.5
101.33178	0.6
102.02799	0.7
106.51724	0.6
107.01392	0.9
109.06624	0.8
111.00925	1.3
113.02467	9.1
115.04030	1.5
119.03506	2.1
119.05033	1.0
123.00953	1.4
124.01762	0.7
125.02454	5.1
129.01991	0.8
131.03537	4.0
133.05058	1.0
137.02467	0.7
139.00424	1.6
140.01183	1.2
143.03467	1.4
145.02980	1.1
149.04546	0.8
151.00392	1.4
153.01913	1.7
159.02985	1.7
161.04579	9.7
165.12872	1.1
168.00656	1.6
169.01450	3.9
179.03633	0.9
179.05522	0.8
192.04398	0.6
197.11760	0.9
203.05583	4.0
207.06613	1.3
207.13911	3.7
209.11853	6.3
211.02437	1.3
221.06648	4.1
225.14943	5.8
226.15254	0.6
227.12903	30.1
228.13234	2.2
229.88197	0.8
235.06136	1.3
236.06821	0.6
250.08490	0.9
251.12943	0.9
256.71384	0.6
263.07712	2.0
269.13950	4.5
271.04346	0.6
271.06290	1.8
287.15002	17.9
288.15338	1.5
293.13995	0.8
295.10245	0.9
313.05713	0.8
326.11618	0.6
329.16162	1.3
359.17288	0.8
373.22314	19.3
374.22644	1.9
389.18149	3.0
403.13437	0.6
431.18933	0.7
449.20197	7.0
450.20441	0.9
451.20889	0.9
468.09381	1.0
473.20306	1.8
491.14328	1.2
491.21378	25.6
492.21820	3.8
505.26788	27.1
506.26987	3.6
547.23779	3.1
548.24646	0.8
565.15869	8.5
565.24902	73.1
566.16309	1.3
566.25201	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19120	0.4
55.01879	0.5
55.93972	0.5
57.03445	2.2
58.00586	0.7
59.01378	81.8
60.01721	1.2
61.98830	21.7
62.99244	0.4
69.03454	0.9
69.39928	3.8
69.40333	0.6
71.01385	19.7
71.37480	0.4
72.01719	0.7
72.99320	0.8
73.02951	12.2
75.00884	0.7
83.01388	6.1
85.02960	7.4
87.00893	1.4
89.02443	6.6
89.02913	0.6
93.03515	0.4
95.01396	1.6
97.02964	0.9
97.06640	0.5
98.19781	0.8
99.00865	2.1
99.04535	1.6
101.02451	16.4
109.06618	0.6
111.00911	0.6
113.02466	7.9
114.42431	0.4
115.04044	1.7
116.92889	1.5
119.03530	1.6
123.00893	0.6
125.02467	3.0
131.03528	4.9
133.02994	0.6
133.05096	1.9
136.01680	3.9
139.00464	0.6
143.03517	1.3
143.08514	0.4
145.05081	0.6
149.04608	0.6
151.04028	4.7
153.01958	0.7
159.03058	0.9
161.02515	2.0
161.04570	6.4
162.02841	0.4
165.12888	0.8
166.02754	0.5
167.03555	0.4
167.10831	0.6
168.00639	0.5
169.01463	1.6
181.05090	0.7
189.12936	0.7
191.10757	0.5
207.13951	3.7
209.11804	5.5
217.07269	0.7
225.15007	4.3
227.12897	16.3
228.13275	1.7
235.08270	1.7
251.12875	1.5
258.07764	0.4
269.13892	5.6
270.14209	0.7
271.04672	0.8
277.09149	0.6
287.14999	13.2
288.15421	1.6
293.13806	0.7
295.10321	6.1
300.99875	0.5
329.16025	0.8
337.11380	4.3
373.22348	8.8
374.22681	1.0
388.11667	0.5
389.18030	1.3
403.14050	2.4
407.00293	0.6
417.21063	0.5
449.20093	1.2
468.09247	0.8
475.16071	0.5
487.15750	0.6
505.26990	10.0
506.26767	1.5
521.07385	1.3
523.19440	0.4
529.22583	0.5
547.23578	4.1
565.24988	100.0
566.25293	19.8
590.20575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	1.9
59.01380	11.3
61.98832	25.2
69.03456	2.4
71.01044	0.6
71.01389	9.4
72.99297	1.1
73.02952	2.9
81.03448	1.4
83.01376	1.8
83.05008	1.1
85.02955	7.1
87.00871	1.1
87.99149	0.4
88.98845	0.7
88.99761	0.4
89.02473	3.2
93.03443	1.0
95.01404	5.0
97.02929	0.4
99.00883	1.4
101.02452	5.6
108.02190	74.4
109.02977	59.2
110.03300	1.9
113.02480	3.4
113.06104	0.5
115.31011	0.4
116.92916	0.9
119.03496	1.2
121.02960	1.3
123.00907	3.1
123.04533	1.0
125.02447	1.7
127.03999	0.5
127.74553	0.5
131.03517	1.3
133.02988	0.7
135.00893	0.8
135.04546	1.0
135.11855	0.6
137.02483	0.9
149.02364	0.7
149.06152	0.5
151.04021	2.2
152.01175	87.8
153.01965	32.8
153.05508	0.5
154.02261	0.9
161.04587	1.6
161.09714	0.5
163.04036	1.6
165.01979	1.4
168.00639	0.7
169.01476	1.4
177.01962	8.6
178.02328	0.6
179.03452	0.7
179.10808	0.8
181.05164	0.5
182.02235	1.1
187.11391	0.6
195.03111	1.0
197.04605	0.7
211.13449	1.2
223.13345	0.5
229.79077	0.5
264.70505	0.4
267.16162	1.3
271.04807	0.6
272.05154	0.4
297.06390	1.0
315.07193	9.0
316.07855	0.8
357.08542	1.5
373.22290	5.7
373.26355	0.5
374.22705	1.0
410.12424	0.5
503.19547	0.9
505.18311	0.8
505.26373	6.3
506.27060	0.6
521.20306	3.9
522.21210	0.7
547.18762	0.7
565.23370	100.0
566.23743	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	565.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62644	0.3
55.01877	0.4
56.36204	0.3
57.03442	1.1
59.01382	11.9
60.99310	0.3
61.98834	37.7
69.03457	3.3
71.01389	6.1
71.75851	0.7
72.99310	0.6
73.02958	0.9
75.00899	0.5
78.95914	0.6
79.01910	0.3
81.03484	0.9
83.01402	1.6
85.02969	2.5
87.00880	0.7
87.04576	0.3
89.02446	4.5
93.03475	0.4
95.01417	2.2
96.96029	0.7
97.02959	2.9
99.00889	0.7
99.04501	0.8
101.02463	3.7
107.01411	1.3
108.02174	0.9
109.02972	1.4
111.00876	0.3
113.02462	1.6
119.03536	1.1
121.02962	0.8
123.00906	8.1
124.01689	26.4
125.02472	50.8
126.02796	2.1
131.03511	1.6
136.01723	0.4
137.02487	2.3
149.02509	0.8
149.04590	1.9
149.99614	32.4
151.00421	4.0
151.04085	0.7
153.01978	0.6
161.02541	0.6
161.04616	0.6
163.04030	0.4
165.01953	0.4
166.99838	1.1
167.03529	1.1
168.00673	61.6
169.01457	8.3
179.03508	0.6
179.05688	0.7
191.03807	0.3
191.05684	1.6
193.01477	0.4
198.25598	0.4
204.78691	0.4
209.11946	0.4
211.02588	0.5
233.15375	0.4
251.16531	0.9
257.21289	1.9
257.40131	0.4
271.22833	0.5
313.05701	1.6
325.11383	0.6
343.22751	0.7
351.00690	0.3
355.08203	0.6
385.29568	1.0
403.30399	1.6
412.10120	0.7
433.28085	1.0
461.06018	0.4
505.34027	2.9
547.21625	0.6
565.22931	100.0
565.36017	6.8
566.23309	16.1
566.33368	0.6
566.36499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.0
59.01380	11.9
60.01721	0.5
61.98829	21.7
69.03486	1.8
70.69990	1.6
70.70347	1.0
71.01384	10.6
72.99325	0.7
73.02941	3.2
81.03477	2.1
83.01427	2.2
83.05027	0.9
85.02959	6.3
87.00888	1.2
89.02464	2.8
93.03503	0.8
95.01405	3.0
99.00909	1.8
101.02451	5.3
107.05077	0.9
108.02187	88.1
109.02978	63.7
109.03751	1.2
110.03319	2.2
113.02469	3.6
116.92900	0.9
121.02959	2.5
123.00887	3.6
123.04534	1.5
125.02447	2.5
125.83664	0.7
131.03465	0.7
133.02974	1.6
135.00874	1.0
135.04533	1.5
137.02385	0.8
149.02347	0.8
149.04436	0.7
151.03996	1.8
152.01167	100.0
153.01958	38.0
154.02263	1.6
161.02495	0.9
161.04546	2.2
161.09694	1.7
163.03973	1.5
165.01854	2.2
168.00517	0.9
176.01189	0.7
177.01938	13.2
178.02301	1.0
179.03500	0.9
187.11180	1.7
195.02888	0.9
205.12309	0.8
207.10173	1.2
211.13339	1.0
267.15768	0.6
297.06021	1.2
299.81982	0.7
315.07196	17.6
316.07227	1.8
349.28873	0.7
357.07742	2.7
373.22345	4.3
374.22458	0.8
503.18256	2.8
505.16360	1.1
505.25427	3.5
506.26080	0.7
521.20148	9.3
522.19800	1.8
547.17517	1.1
565.18811	85.9
566.19147	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	565.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13124	0.2
57.03454	0.3
58.48767	0.3
59.01386	1.8
61.98831	9.0
69.03463	4.5
69.78729	1.9
71.01391	0.9
73.02943	0.4
75.01692	0.3
81.03468	1.4
83.01414	1.0
85.02956	0.4
89.02448	0.5
93.03480	0.3
95.01389	1.5
97.02964	3.4
99.04533	0.3
101.02424	0.5
102.00368	0.3
107.01421	0.9
108.02209	0.7
109.02985	0.6
113.02431	0.4
123.00905	8.5
124.01688	24.4
125.02470	51.6
126.02808	1.9
134.56197	0.3
135.04482	0.3
135.35619	0.3
136.01706	0.6
137.02484	2.4
139.04045	0.4
149.02412	0.3
149.99608	32.6
151.00433	4.0
151.04019	0.4
162.60063	0.3
163.00371	0.3
165.01967	0.4
166.99934	0.7
167.03534	1.2
168.00662	60.8
169.01389	6.6
193.01433	0.5
211.02563	0.3
240.38681	0.3
251.16534	1.2
258.75488	0.3
313.05576	1.5
505.34155	0.6
547.21808	0.4
565.22943	100.0
566.23303	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1932
Annotation	Fraxiresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.91745	0.3
52.92024	0.3
56.45911	0.3
57.03440	0.4
59.01381	8.8
61.98831	9.8
62.60642	0.3
62.80203	0.4
67.09438	0.3
69.03452	0.4
71.01386	4.6
72.99306	0.4
73.02960	1.8
75.00871	1.4
76.13729	0.3
83.01397	1.4
85.02956	1.6
87.00884	0.7
89.02449	3.2
95.01394	0.5
99.00894	0.4
99.04549	0.6
101.02471	3.0
108.02180	1.6
109.02985	2.2
113.02478	1.8
117.67934	0.3
119.03545	0.9
121.03003	0.6
123.00888	0.6
123.04566	0.8
124.01574	0.3
125.02444	1.1
131.03511	0.9
136.01680	53.2
137.02477	30.8
137.03336	0.3
138.03268	11.7
139.07498	0.3
139.83873	0.3
147.04483	0.3
149.04594	0.7
150.03198	0.9
151.04028	58.0
152.01077	0.6
152.04327	2.0
153.01953	0.4
153.05579	0.7
159.03288	0.4
159.04532	1.5
160.05330	1.6
161.02441	0.4
161.04570	0.9
161.05988	0.7
163.04094	0.6
169.01474	1.1
170.02216	1.4
173.06213	0.5
175.04010	1.5
175.06181	0.5
175.07620	1.0
176.04758	0.7
179.07170	0.4
191.05530	0.5
192.04243	0.7
193.28345	0.3
203.03706	0.4
204.04282	0.6
205.05051	0.7
207.06548	0.4
211.02428	0.4
216.04228	0.4
217.05011	1.6
217.10562	0.3
218.05766	0.8
219.06657	1.2
227.12952	0.5
233.08279	0.7
235.06155	0.5
236.06932	2.2
237.07652	0.4
251.09215	1.0
255.15900	0.4
269.13980	0.5
295.10345	1.2
301.16980	0.3
312.09995	0.5
313.11047	0.5
327.12256	1.0
371.11365	0.7
373.22226	2.7
388.06750	0.6
388.11612	7.8
389.11880	0.8
401.16470	0.5
403.13986	100.0
404.14328	11.7
505.26279	2.2
565.19824	2.5
565.23846	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	565.1691
Annotation	Monodictyochrome B
Peak:m/z	Relative Intensity
57.03454	0.6
59.01380	8.2
61.35133	0.6
61.98830	6.8
68.99811	0.7
71.01385	7.0
71.69048	0.8
71.69434	0.8
73.02936	1.8
75.00869	1.5
83.01398	1.0
85.02927	1.7
87.00882	2.6
88.98822	3.4
89.02444	3.1
93.03464	3.0
95.01363	1.0
96.96030	1.7
97.02962	0.7
99.00918	4.6
101.02442	3.0
108.02190	0.8
109.02964	0.8
111.00883	3.0
113.02473	2.3
115.00371	2.2
116.92858	2.3
117.05588	1.8
119.03497	0.7
119.04998	1.0
122.06143	2.0
123.00905	1.7
123.04518	0.9
125.02465	3.4
135.04565	1.2
136.01669	1.1
137.02458	5.7
140.01184	1.6
146.06126	1.0
147.03345	1.1
147.04529	1.0
149.04446	0.9
150.05626	1.4
151.00360	0.7
151.04008	1.6
155.03445	0.8
159.03018	1.2
159.04498	1.5
160.04060	3.8
161.04779	2.9
162.05629	1.6
163.00345	0.7
163.04036	0.9
165.01920	2.1
169.01453	3.4
173.04767	1.0
175.02515	1.5
175.03966	1.0
177.01904	1.5
179.03572	1.1
179.05524	0.9
180.04263	1.7
183.06644	0.7
188.03470	0.8
189.01971	0.6
189.04283	2.0
190.05095	2.4
191.03436	0.9
195.06688	1.3
202.05058	1.5
204.06598	1.2
207.06668	0.8
213.06767	0.7
218.04518	0.7
219.05252	0.8
220.06030	0.8
229.01427	0.8
229.13457	3.3
231.05167	0.8
236.09364	0.8
239.08212	1.3
239.11928	1.2
241.09967	1.3
241.13446	0.9
243.07468	0.8
245.00899	0.9
247.04794	1.6
248.03198	1.2
248.05548	0.8
249.03954	1.6
251.12131	0.8
252.08942	0.9
253.09682	1.2
253.13531	0.9
254.10530	1.7
255.11446	2.4
256.08481	1.0
257.00763	0.8
257.09348	1.5
257.12906	1.1
265.10037	0.7
267.06738	0.9
267.11334	3.7
268.11957	0.8
269.09436	1.0
269.13007	3.3
271.14645	0.9
275.01935	2.7
277.05972	0.8
278.06625	1.0
279.07623	1.5
279.11005	0.7
280.08505	1.7
281.09094	1.3
282.09000	2.6
283.10864	2.2
284.11005	0.8
285.09073	0.9
285.12460	2.3
287.14026	1.2
293.09244	1.8
294.09857	0.7
295.10938	5.0
296.11148	0.8
297.08768	1.6
297.12207	3.8
299.10367	1.5
299.99207	0.9
301.00040	5.6
309.08853	0.9
309.12311	0.7
311.10364	2.2
313.11914	4.0
315.08899	1.0
323.10385	1.5
325.11987	1.7
327.13220	1.5
329.10831	2.0
339.09912	1.2
341.11389	1.7
353.11636	1.6
355.08704	0.9
355.12930	2.7
357.10855	1.0
369.10654	0.9
371.12329	2.3
373.13748	1.3
375.09384	1.3
385.09811	1.0
385.14270	1.0
389.13553	1.2
399.11682	1.0
401.13580	1.0
403.14258	9.2
415.10956	0.9
417.12714	3.5
424.00653	0.9
429.12985	1.2
431.14755	4.2
432.14874	0.9
445.12692	4.8
447.08032	1.0
447.13849	6.2
448.14285	1.0
459.14258	1.1
463.13382	1.9
472.02859	1.2
475.13452	1.3
502.20264	4.2
503.16333	1.5
521.07166	3.9
521.18292	1.1
522.07611	1.0
529.14813	0.8
533.14154	2.2
537.17297	1.3
547.15643	1.6
565.16779	100.0
566.17059	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	564.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33046	0.3
56.84381	0.2
57.03441	0.3
59.01376	6.5
60.01694	0.3
61.67930	0.2
61.98833	100.0
71.01394	0.7
71.72002	0.5
75.00890	0.4
78.95927	0.4
83.05046	0.3
85.02976	0.6
87.00832	0.3
88.98863	0.3
96.96031	0.4
99.92603	1.5
100.92631	0.8
116.92874	0.7
117.92894	0.7
142.99791	0.3
182.95810	0.3
185.27843	0.3
245.79692	0.3
271.06165	0.3
302.75430	0.3
304.73730	0.3
307.23062	0.4
409.12769	0.3
483.20624	0.3
488.80405	0.4
504.33643	0.4
505.35934	0.4
564.24115	1.3
564.38788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
58.00571	0.5
59.01084	0.5
59.01379	6.5
61.13352	0.2
61.98833	10.6
67.01889	0.5
69.03453	0.7
69.32159	0.2
71.01033	0.4
71.01388	4.8
71.71223	0.3
72.99299	0.8
73.02936	0.7
75.00855	0.7
79.01889	0.6
83.01390	0.8
85.02956	1.8
87.00907	1.7
88.98815	0.4
89.02446	3.1
93.03445	0.3
95.01385	1.7
96.95999	1.3
97.02955	0.7
99.00880	0.9
101.02445	2.8
101.38514	0.3
107.01402	3.3
111.00894	2.1
113.02476	2.0
115.00381	0.9
116.92837	1.5
119.03503	0.8
121.02966	0.3
122.06135	0.4
123.00895	9.5
124.01655	0.9
125.02463	14.0
126.02779	0.8
127.00366	0.5
131.03514	0.4
136.98846	0.5
137.02425	1.0
139.00403	2.8
140.01169	2.2
140.68146	0.2
141.01939	1.2
146.98351	0.3
151.00386	8.0
151.03986	0.7
152.00745	0.4
153.01910	0.4
159.02974	0.4
161.02480	0.4
161.04616	0.5
163.00374	0.4
165.01913	0.4
165.05562	0.7
167.03481	0.6
168.00647	3.3
169.01442	20.8
170.01772	1.3
173.48030	0.3
175.02515	1.5
176.02780	0.3
177.04037	1.0
179.03354	0.3
179.05594	0.3
181.05066	0.6
190.99915	0.7
192.00351	0.7
193.01328	1.6
193.03241	0.4
208.01158	0.3
209.04581	0.3
209.11761	0.3
211.02486	4.9
223.02342	0.4
225.07570	0.3
241.03436	0.4
253.03561	0.4
254.89534	0.3
270.98987	0.2
271.04593	6.3
275.01660	0.3
281.09070	0.3
283.10901	0.9
284.82965	0.3
295.10861	1.1
297.12271	0.8
300.99829	0.5
309.08789	0.5
313.05698	1.9
313.12045	0.6
327.09781	0.7
329.05310	0.4
347.21503	0.3
354.05875	0.6
355.06299	1.1
371.08557	0.5
386.11163	0.3
388.01395	0.4
388.11337	0.4
403.10992	2.0
424.00797	0.4
445.12436	0.4
449.20255	0.4
475.06906	0.5
501.19745	100.0
502.20074	14.6
502.27603	0.6
521.07184	2.3
533.14166	1.3
547.15326	0.5
564.14240	1.5
565.16321	2.3
565.25391	1.3
574.41351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20578	0.7
52.60237	0.8
55.01877	2.1
57.03440	2.4
58.00592	2.7
59.01379	100.0
60.01722	1.9
61.98833	55.0
67.01884	1.0
69.03471	1.8
69.51334	4.4
69.51767	3.4
71.01386	55.6
71.05013	1.1
72.01714	1.3
72.99323	3.7
73.02946	11.8
83.01378	8.7
85.02956	18.6
85.03435	1.4
86.03279	1.2
87.00886	3.8
87.04507	1.0
88.98805	1.8
89.02454	50.7
95.00792	0.8
95.01395	3.8
97.03001	1.8
99.00912	7.4
99.04545	1.8
101.02454	43.5
102.02796	1.0
107.01404	1.7
108.02210	1.7
109.02946	2.1
109.06589	0.8
110.56947	1.0
111.00909	4.0
111.01590	0.9
113.02464	21.1
117.03460	1.1
119.03522	11.6
119.05010	1.1
123.00883	8.1
123.04522	1.0
124.01726	1.1
125.02457	15.6
127.00346	0.8
129.01978	1.4
131.03519	17.7
132.03848	1.0
135.04535	1.8
136.01663	2.7
136.98798	1.5
137.02490	3.3
138.03276	1.1
138.88907	1.0
138.98874	0.8
139.00375	3.2
140.01202	4.2
141.01959	1.2
143.03522	3.3
145.02985	2.0
149.02505	2.3
149.04570	27.6
150.04915	1.0
151.00388	7.4
151.03992	6.6
153.01974	1.5
159.02985	2.9
161.02466	1.7
161.04564	13.8
163.04071	1.6
165.12828	2.4
166.13211	1.0
167.03543	1.0
168.00652	14.1
169.01445	18.4
175.04013	6.6
177.01938	1.2
179.05640	1.7
189.05693	1.0
190.02763	1.1
191.05603	9.1
191.07188	2.4
191.14365	1.0
207.13940	1.8
208.10710	1.0
209.11839	2.6
209.15556	1.0
211.02435	4.8
221.06570	1.6
223.13428	1.3
225.14925	2.1
227.12918	2.8
251.07655	1.2
251.12791	1.1
265.04843	0.9
269.13934	3.0
271.04590	3.9
282.05359	1.1
287.14984	3.3
293.08826	2.3
293.12256	2.0
297.06192	1.9
299.09222	3.7
309.07654	1.7
311.09671	2.6
311.14984	0.9
312.06433	1.4
312.09924	1.0
313.05902	1.2
327.08743	18.6
327.12277	1.5
327.18127	2.1
328.08978	2.3
339.12457	1.4
342.11014	5.7
353.19843	4.1
371.07883	6.2
371.20740	81.6
372.21194	9.4
386.09964	9.0
387.10532	1.1
401.12411	61.0
402.12714	8.2
411.12579	1.1
449.20251	1.4
485.23889	2.0
488.14484	1.1
501.19748	5.1
503.24948	44.7
504.25198	7.2
525.23401	15.5
526.23669	3.4
527.23981	3.7
532.13788	1.9
545.24847	1.1
563.20807	50.8
564.21289	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	563.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04710	0.8
55.01878	2.0
57.03448	3.8
58.00589	3.3
59.01380	100.0
60.01717	2.0
61.41370	0.6
61.98832	13.8
69.48935	6.6
69.49265	0.8
71.01388	57.2
72.01717	0.8
72.99313	2.5
73.02952	14.7
75.37097	0.7
83.01387	4.7
85.02959	16.2
85.03434	1.0
87.00902	2.7
87.04522	1.5
89.02456	51.4
90.02792	0.9
94.26197	0.7
95.01417	2.3
95.05087	0.9
97.02977	1.1
97.74697	0.6
99.00893	5.0
99.04531	1.1
99.12748	0.6
101.02454	40.4
102.02797	1.3
109.03018	1.0
111.00968	0.9
113.02464	20.4
119.03523	11.2
125.02437	3.8
129.01974	1.8
130.88258	0.7
131.03517	36.9
132.03914	0.9
133.05124	2.3
136.01704	3.1
137.02524	0.8
143.03531	4.3
149.04570	43.4
149.08229	1.6
150.04906	1.4
151.04063	3.3
151.06094	3.8
159.03067	1.1
161.04578	11.7
165.12901	2.5
169.01485	1.9
173.04573	1.4
174.03355	0.9
175.06169	1.5
177.02133	1.0
179.05609	10.4
189.05588	0.9
191.05627	19.2
207.10370	1.4
207.14018	2.8
209.11801	5.5
209.15434	1.3
211.02510	1.5
221.06757	3.7
223.13531	1.5
227.13033	1.4
233.04620	1.5
251.07758	3.4
251.12846	1.7
269.14102	1.4
269.17465	1.4
271.04697	3.2
293.09045	1.4
293.12592	2.1
295.10422	4.1
311.09964	4.2
311.13583	2.0
312.10205	1.0
313.11411	3.7
341.10623	0.7
355.12665	1.9
357.13858	0.8
371.20743	35.9
372.21039	3.9
401.12405	7.3
402.13058	1.6
429.31573	0.7
459.75354	0.9
473.20868	0.9
500.26248	1.3
501.19824	3.6
503.24960	17.8
504.25571	2.2
545.26178	1.7
546.23590	0.8
563.27655	19.3
564.27448	2.7
577.64050	1.0
579.29309	0.9
579.38379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
57.03455	5.9
58.00589	2.8
59.01382	100.0
60.01711	1.6
61.98836	45.8
69.03469	2.0
71.01388	49.3
71.05040	0.9
71.73721	1.0
72.99320	2.8
73.02953	24.6
75.00876	1.8
83.01398	7.2
83.05035	3.6
85.02964	16.0
87.00900	4.4
87.04543	1.9
88.98828	2.3
89.02459	39.0
94.82721	0.8
95.01389	3.1
96.96016	1.5
97.02951	2.5
99.00899	3.3
99.04521	2.1
101.02460	37.0
101.06148	0.8
103.04002	1.3
108.02231	1.0
109.02968	1.6
109.06596	1.3
111.00866	0.9
113.02459	24.5
115.04025	1.0
116.92775	0.8
119.03523	11.9
119.04976	1.1
120.47237	0.7
121.06626	0.8
123.00877	1.5
125.02468	5.1
125.70665	0.8
131.03526	13.9
133.05087	7.6
134.03810	1.0
135.04526	2.3
136.01700	1.6
137.02438	1.4
143.03551	3.7
145.10294	1.0
147.04536	1.8
149.04579	14.4
149.08191	2.4
150.04958	1.0
151.04036	1.8
151.06129	13.5
152.01157	1.6
153.02007	0.9
161.02397	1.2
161.04556	6.5
161.09808	0.9
163.11275	2.2
165.12856	4.0
168.00679	1.1
169.01410	2.9
175.03964	1.3
175.06128	6.6
177.01988	0.9
179.03493	0.8
179.05600	5.0
179.06941	1.0
189.05522	1.3
189.12869	1.1
191.05586	4.7
191.10782	1.3
205.07130	1.4
205.12338	2.8
207.10225	2.2
207.13953	6.9
209.11809	6.9
210.12032	1.0
217.07220	1.2
221.06644	1.0
223.13379	6.3
225.15005	1.7
227.12862	3.9
235.06108	1.4
249.15231	0.8
251.12965	4.4
267.15970	1.7
269.13885	9.1
269.17523	1.1
271.04648	1.7
287.14896	1.5
293.09183	0.9
293.12573	2.2
295.10397	20.7
296.10660	1.1
311.09772	1.9
311.13538	2.4
312.10083	1.0
313.05725	0.9
313.11438	14.4
314.11542	1.9
327.21765	1.6
355.12552	5.6
361.70953	0.8
371.16473	1.1
371.20734	13.7
372.21143	1.4
401.12335	3.3
401.17358	1.2
431.19336	2.2
473.20358	2.3
488.15472	1.0
501.19626	1.5
503.24991	7.3
504.24863	0.9
519.31506	1.9
528.65045	0.8
545.21680	4.3
546.22699	0.9
563.23022	61.6
564.23474	11.4
589.88129	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
56.26635	0.4
57.03449	1.5
58.00585	0.4
58.98820	0.5
59.01379	73.5
60.01723	0.6
61.98828	3.1
68.99827	0.5
69.03461	1.2
69.65952	0.9
69.66360	2.8
71.01389	18.1
72.99316	1.3
73.02953	27.9
75.00887	0.9
83.01401	3.3
83.05024	1.1
85.02959	7.1
87.00871	3.7
87.04539	1.5
89.02451	4.4
95.01411	1.7
97.02951	1.1
99.00885	1.7
99.04543	2.1
101.02454	7.9
103.04038	4.9
109.03003	0.6
111.04556	0.7
113.02457	6.1
119.03519	1.4
125.02501	1.0
131.03519	22.0
132.03839	0.6
143.03439	0.6
151.06117	0.6
159.03120	0.5
161.04584	2.1
161.09747	0.5
162.44765	0.4
165.12848	0.5
167.10872	0.4
179.05479	0.5
187.11322	0.5
194.75534	0.4
207.13916	1.3
209.11836	3.6
225.14922	5.7
226.15248	0.7
227.12891	24.7
228.13266	2.4
269.13928	2.0
275.07730	6.8
276.07953	0.7
287.14984	2.8
293.08771	4.0
295.10318	0.7
300.77615	0.5
313.11383	1.2
335.09967	4.0
371.20801	1.3
503.25381	1.2
545.22479	5.0
546.22369	1.3
563.23486	100.0
564.23846	18.4
569.76990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03441	6.9
57.93623	0.7
58.00592	1.9
59.01376	100.0
60.01718	1.4
61.98828	51.0
64.17857	0.6
69.03447	1.6
69.75961	4.7
69.79072	0.7
71.01382	39.0
72.01717	1.0
72.45458	0.7
72.99307	1.3
73.02948	19.7
75.00879	1.0
83.01390	7.1
83.05019	1.4
85.02960	14.5
87.00889	2.6
87.04533	0.7
89.02448	29.1
95.01380	2.2
97.02946	2.1
97.06623	1.1
99.00884	2.1
99.04514	2.8
101.02454	28.0
103.04022	1.4
113.02460	18.2
114.02769	1.3
115.04089	1.2
117.05507	1.0
119.03529	8.6
123.00855	0.7
125.02437	1.8
127.04054	1.3
128.99081	0.7
131.03520	6.6
132.03836	1.1
133.05089	10.0
135.04475	1.0
137.02425	0.8
143.03503	3.0
149.04558	5.9
150.04793	0.9
151.04976	1.3
151.06126	16.4
161.02414	1.7
161.04555	9.0
161.13289	2.4
163.11276	2.0
169.01404	1.4
175.06117	6.6
179.05679	3.9
187.11263	1.6
191.05589	2.0
205.07162	1.5
205.12361	4.5
207.10329	4.6
207.13829	2.4
209.11838	3.5
217.07085	1.5
223.13411	10.5
224.13673	1.2
225.14937	5.8
227.10670	1.3
227.12869	24.7
228.13104	1.5
249.11214	0.9
251.12726	1.0
255.02872	1.0
255.15945	1.8
267.12302	1.5
267.15848	2.7
269.13925	5.7
270.14114	0.8
284.03107	1.2
287.14975	43.3
288.15366	5.2
295.10336	35.1
296.10452	2.8
313.08011	1.5
313.11389	23.9
314.11530	2.7
329.15765	2.5
355.12469	9.7
356.12613	1.3
359.16846	2.9
371.17014	0.7
371.20810	7.7
375.41644	1.0
389.18124	10.4
447.09030	1.2
449.20224	23.2
450.20569	3.4
503.24515	3.6
524.26898	0.8
545.21667	3.0
546.22101	0.9
563.23090	47.2
564.23291	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	563.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64186	0.7
54.67657	0.7
55.01881	2.3
56.31816	0.8
57.03453	4.8
58.00587	1.2
59.01379	100.0
61.98832	36.4
61.99086	0.5
69.03469	1.8
69.43528	4.7
69.43940	2.5
71.01385	54.1
71.05018	1.6
72.01714	1.2
72.99304	2.2
73.02953	25.6
75.00876	1.7
83.01399	9.8
83.05032	3.2
85.02493	1.3
85.02963	15.9
87.00865	4.1
87.04521	1.7
88.98817	1.5
89.02451	38.8
89.86853	0.8
93.03484	1.4
95.01379	2.3
95.05025	1.2
96.96008	2.0
97.02939	1.8
97.06600	1.0
98.19896	1.5
99.00880	3.4
99.04517	2.9
101.02456	39.2
103.04019	0.8
108.02102	1.2
109.02940	1.7
109.06569	1.2
111.04537	1.0
113.02467	21.1
115.03999	1.0
119.03521	12.1
123.04511	1.0
124.76967	0.8
125.02431	3.3
131.03520	12.5
133.02939	1.0
133.05087	10.8
135.04478	1.4
136.01654	1.5
143.03571	3.6
145.05080	1.0
145.10217	1.5
147.04521	1.1
149.04567	13.4
149.08191	2.3
151.04114	1.2
151.06137	16.0
152.01126	1.6
153.01843	0.8
158.25069	0.7
161.04564	9.5
161.09700	1.4
161.13284	0.9
163.03943	1.0
163.11272	1.5
165.12759	2.8
169.01358	2.1
173.04486	1.1
175.06137	6.6
177.01830	1.2
179.05658	6.5
189.05576	0.8
191.05614	3.9
203.05521	0.9
205.07043	1.4
205.12213	3.3
207.06488	0.9
207.10149	3.4
207.13866	5.0
209.11862	7.0
210.12207	0.7
217.07077	1.5
221.06548	1.1
223.13388	5.4
227.12799	2.9
235.05994	1.0
251.12976	4.1
265.07019	0.9
266.75159	0.7
267.15790	1.4
269.13715	8.1
269.17026	1.6
271.04373	1.5
276.73523	0.8
287.14966	0.9
293.12192	2.7
295.10376	21.8
296.10410	2.1
296.71753	0.7
311.09598	1.6
311.13321	2.3
312.09900	0.8
313.11395	17.0
314.11603	1.7
355.12482	6.3
356.12634	0.7
371.20804	12.1
372.20935	1.5
401.12729	3.9
431.18921	1.0
466.07568	1.0
473.19333	1.5
501.19171	1.8
503.24942	6.6
504.24832	1.0
513.65680	0.7
519.30872	0.8
545.21667	3.1
547.96759	0.9
563.23053	64.7
564.23206	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	563.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34564	0.4
55.01879	1.7
55.63166	0.3
57.03441	1.4
59.01381	2.4
61.98814	0.5
68.26118	0.3
68.99828	0.7
69.03452	0.6
71.01383	6.7
71.30415	0.6
72.99310	1.7
73.02951	4.0
75.00870	0.5
83.01387	2.0
85.02962	4.3
87.00885	28.2
89.02440	1.0
95.01400	3.9
97.02953	1.2
99.00900	7.4
100.01709	0.6
101.02460	3.0
105.01988	0.5
105.03565	0.3
109.02970	0.8
111.00900	4.0
112.98828	7.3
113.02459	0.9
115.00381	1.2
117.01933	1.0
117.61867	0.4
123.00891	7.2
124.01684	0.8
125.02478	0.7
127.04032	0.8
129.01949	2.4
131.03500	0.6
133.02901	0.4
133.06647	0.3
137.02470	0.6
138.03235	4.9
142.99873	6.0
145.01448	2.9
145.03081	0.4
146.03731	0.4
147.02985	0.9
147.04503	1.1
149.02428	1.7
151.00348	0.7
151.03952	1.2
153.01901	0.4
153.05597	6.4
159.04582	0.5
161.02469	7.7
162.03174	0.5
163.04025	6.8
164.04787	3.9
165.05540	0.7
166.02744	3.7
173.00938	28.4
173.02344	1.3
174.01733	8.5
174.03253	1.2
175.03961	3.4
176.01247	0.4
176.04811	6.9
177.01936	1.5
177.05498	1.4
178.06374	9.8
179.02023	0.7
179.03539	9.6
179.07144	9.3
181.05083	4.5
183.06575	0.5
187.03969	0.8
188.04802	1.1
189.01959	0.8
189.05611	0.9
190.02725	2.1
190.06374	1.2
191.03508	6.1
191.05220	0.7
191.05531	0.6
191.07147	4.9
192.04140	1.2
192.07611	0.5
193.04994	1.1
193.08711	12.0
194.05850	14.1
194.08929	0.7
195.06334	1.1
201.01903	1.0
202.02718	0.6
203.03523	4.2
203.07053	0.4
204.04169	1.0
205.01398	0.4
205.05051	4.1
205.08655	0.7
206.05832	6.0
207.03059	0.5
207.06540	1.7
209.08202	17.3
210.08551	0.8
217.05057	0.9
218.02242	0.8
218.05806	2.1
219.03012	4.4
219.06529	1.4
220.03783	1.0
221.04504	1.2
221.08200	7.6
222.05382	0.9
223.05934	0.6
229.01363	1.2
230.05708	0.5
231.02985	1.7
233.04478	1.4
233.08173	1.6
234.05293	4.1
235.02432	0.5
235.06047	1.4
236.06876	1.0
237.07649	1.7
238.04698	0.5
245.04524	1.4
246.01610	1.0
246.05420	1.1
247.02481	6.4
247.06110	1.5
248.02821	0.4
249.03947	0.7
249.04962	0.5
249.07666	7.6
250.04884	0.6
250.07857	0.4
251.09239	1.1
261.04001	3.6
261.07620	1.0
262.04810	12.2
263.05206	1.2
264.06528	0.9
265.04199	0.6
265.07117	11.7
266.07626	0.7
276.06366	4.4
277.07166	31.4
278.07437	3.1
279.08527	0.9
281.00098	1.3
281.12720	0.4
291.08673	1.9
294.07065	0.4
295.08176	1.6
300.99887	0.8
309.09680	1.0
325.09198	1.3
335.06281	1.0
337.09283	30.3
338.09555	3.2
355.10287	0.6
383.09793	2.5
401.11029	0.5
427.12387	2.4
439.12363	1.8
457.13586	0.9
503.05707	0.4
503.16074	0.5
504.06046	0.6
527.14172	0.6
545.14923	0.5
555.24323	0.5
563.16217	100.0
564.16608	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	563.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.0
61.98829	6.9
67.01889	0.7
69.03452	1.2
71.01382	8.6
71.69366	0.5
71.69782	0.4
72.99307	1.4
73.02937	2.3
74.99117	0.5
75.00908	0.5
76.44282	0.4
79.01908	0.9
81.03478	0.5
83.01396	1.5
83.09785	0.4
85.02962	2.8
87.00882	2.8
89.02466	3.1
93.03460	0.9
95.01397	1.6
96.96055	0.8
97.02965	1.7
97.06578	0.5
99.00898	1.0
99.04528	0.6
101.02452	4.2
107.01396	8.4
109.02972	1.0
111.00896	3.9
113.02471	4.4
115.00370	2.6
116.92882	1.3
119.03505	0.9
121.02988	1.3
123.00906	12.8
123.04546	1.2
124.01720	0.9
125.02461	51.8
126.02791	2.0
127.00399	0.9
131.03578	0.6
135.04567	0.9
136.98889	0.8
137.02448	2.0
138.03291	0.7
139.00391	3.0
139.03979	0.9
140.01183	2.3
141.01982	2.1
143.03523	0.5
145.02937	0.5
150.03145	0.4
151.00386	10.0
151.03978	3.5
153.01959	1.0
159.04504	1.0
160.05360	0.6
161.02444	0.7
161.04643	0.8
161.06073	1.0
163.04085	0.6
165.01929	1.2
166.02733	2.3
167.03502	1.0
168.00671	3.2
169.01440	74.3
170.01767	3.2
171.91469	0.5
173.04726	0.7
174.03178	0.5
175.02493	4.8
175.03908	0.9
177.01976	0.4
179.03510	24.3
180.03879	1.1
181.01382	0.6
181.05055	4.7
183.03041	1.3
190.06471	0.8
191.03664	0.6
191.05582	0.5
193.01459	1.4
193.03448	0.9
194.05850	35.5
194.99394	1.5
195.06131	2.7
203.40543	0.4
204.04282	18.9
205.01399	1.1
205.04764	2.4
209.08192	64.4
210.08609	4.3
211.02541	2.1
219.06596	9.3
223.02477	0.6
229.07132	0.7
235.06079	1.4
241.03557	1.3
249.07820	2.0
253.03560	0.9
263.11118	0.5
267.11990	0.4
271.04456	0.7
283.02457	0.5
295.10745	1.0
297.11908	0.7
313.05643	20.5
314.06085	2.0
327.07047	0.8
327.14450	1.5
387.11227	1.6
401.12964	0.7
489.19629	1.0
500.18393	2.2
501.19705	10.1
515.13007	0.5
563.14117	100.0
564.14496	18.5
564.23291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59714	0.2
59.01377	2.6
60.99322	0.2
61.98832	100.0
62.98542	0.2
70.29337	0.5
70.29735	0.3
78.95918	0.4
89.95940	0.2
95.43765	0.1
102.43195	0.2
102.59248	0.2
120.29664	0.2
123.47844	0.2
125.09833	0.2
188.49193	0.2
211.13292	0.2
213.44551	0.2
328.11920	0.2
356.78387	0.2
365.27045	0.5
455.31641	0.7
499.30655	19.0
500.30978	3.2
562.31732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
61.98830	100.0
62.98524	0.3
67.50853	0.2
68.03923	0.2
74.27210	0.2
75.26306	0.2
95.93508	0.2
115.82164	0.2
133.70137	0.2
230.88387	0.3
241.78258	0.2
324.05261	0.3
356.08081	0.2
419.29727	0.6
437.30853	0.2
449.77325	0.2
499.30609	11.5
500.30966	1.8
543.80963	0.2
565.36053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.8
59.01380	8.0
61.98828	3.5
71.01387	12.4
71.72258	1.1
72.99304	1.2
73.02943	1.9
83.01385	1.3
84.06494	0.6
85.02968	4.3
87.00895	2.5
88.98808	0.7
89.02450	4.0
93.03436	1.1
95.01398	2.1
96.96063	1.2
97.02987	0.7
99.00895	1.5
101.02460	5.3
105.15634	0.6
107.01398	3.9
108.02143	0.7
109.02994	0.8
111.00919	3.0
113.02449	5.8
115.00410	1.0
116.92852	1.0
119.03506	1.6
121.02981	2.5
123.00895	9.2
123.04488	2.0
124.01724	1.4
125.02464	28.4
126.02847	1.0
127.00459	1.2
131.03508	1.3
136.98903	1.4
137.02441	2.5
139.00378	4.7
139.04051	0.8
140.01175	4.1
141.01956	2.0
143.03506	1.1
149.02464	2.7
150.03235	13.4
151.00383	7.6
151.04063	3.2
161.02431	0.9
161.04564	3.7
162.03172	0.9
163.03981	1.8
164.04759	1.4
165.05588	9.2
167.03560	0.9
168.00644	6.8
169.01443	46.4
170.01778	2.6
175.02452	1.1
179.03586	3.1
179.05611	1.8
180.04247	0.7
181.05054	0.8
183.02997	4.2
195.06631	1.3
204.23486	0.6
204.67336	0.6
211.02521	4.5
221.11757	0.8
225.04005	3.9
233.21548	0.7
237.22098	0.7
241.03516	0.6
269.10336	1.7
270.15100	0.6
271.04495	3.4
285.06100	5.4
297.06076	1.7
313.05640	16.3
314.06076	1.9
323.09720	0.9
327.07245	1.7
356.15967	0.7
356.32434	0.6
385.07690	3.0
401.14432	1.1
479.11929	26.4
480.12241	4.5
501.19971	3.9
509.12741	4.6
527.14026	100.0
528.14404	15.1
563.18433	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.3
59.01380	100.0
60.01707	1.2
61.98831	6.5
69.55302	0.8
69.55728	1.1
71.01393	0.6
72.79858	0.2
75.00881	0.5
78.95917	0.4
85.50486	0.2
88.98822	0.3
91.19837	0.2
96.96988	0.3
98.17690	0.2
113.02455	0.2
116.92912	0.2
141.47119	0.2
153.39822	0.2
169.78499	0.2
171.10400	0.2
225.64648	0.2
368.73157	0.2
393.27658	0.3
469.29816	0.7
489.36218	0.3
501.32162	8.5
502.32574	1.8
545.31189	0.3
561.34686	3.7
562.34717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	9.5
58.00594	2.2
59.01376	76.4
61.98829	83.2
68.99826	1.5
69.03462	3.7
69.74958	1.5
71.01383	39.3
71.05010	2.6
72.99319	4.7
73.02945	7.5
75.00864	2.3
78.95930	4.3
79.15530	1.8
80.02693	2.2
81.00328	1.7
81.03458	5.7
83.01397	11.6
83.05032	6.6
85.02948	10.3
85.06641	2.2
87.00875	4.5
88.87608	1.7
88.98830	4.6
89.02457	24.6
91.03996	1.8
95.01403	3.3
95.05035	2.7
96.96024	4.1
97.02951	7.6
97.06598	16.5
101.01858	2.7
101.02459	32.1
109.06573	3.1
111.00908	1.7
113.02454	16.5
116.92859	2.8
117.23624	1.5
119.03535	8.6
119.04978	1.9
121.06622	3.4
122.39851	1.7
123.04549	8.6
123.08143	6.6
125.02445	3.4
125.09746	24.8
131.03519	3.9
135.08153	2.7
137.09732	9.2
141.12901	2.1
142.02711	2.2
143.03535	2.1
149.06099	2.9
149.09756	2.1
153.09143	2.1
161.04582	15.1
161.09720	3.3
163.07648	3.5
163.11282	14.1
165.09117	1.8
165.12857	4.9
167.10739	9.4
169.12462	2.1
171.10286	6.5
179.05638	3.9
179.10782	2.9
181.12328	5.1
185.11833	26.8
186.12126	2.1
191.10791	3.7
191.14438	22.6
192.14754	2.6
194.60320	1.7
197.11891	3.9
207.10266	8.8
209.11845	61.7
210.12126	5.2
211.13486	2.7
213.18576	3.4
225.11288	7.2
225.18521	2.4
226.11975	2.7
227.12862	10.9
228.13226	2.1
237.11305	6.9
245.19093	41.7
246.19447	4.7
253.09283	37.7
254.09741	2.8
263.20120	7.6
271.16968	5.8
280.42465	1.9
281.21094	2.3
289.18076	100.0
290.18503	15.0
307.19141	65.2
308.19470	8.3
330.97156	1.8
339.25354	18.1
340.25638	2.3
369.22726	3.6
445.20816	1.7
471.31226	3.9
501.32736	8.2
504.61365	1.8
515.28711	2.0
544.12994	1.9
561.30835	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	561.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17922	0.6
55.01871	0.9
57.03453	1.5
58.00598	3.9
59.01377	100.0
59.34432	0.6
60.01701	1.2
60.44152	0.6
61.98829	4.7
62.94708	0.6
66.90011	0.6
69.03468	0.7
69.43869	6.3
71.01384	54.7
72.01708	1.1
72.99319	3.4
73.02947	5.8
83.01385	3.5
85.02967	9.3
87.00884	1.2
89.02451	96.8
90.02774	1.5
96.96023	4.4
96.96948	1.0
99.00896	6.1
101.02454	40.7
102.02838	0.6
111.00851	0.7
113.02464	10.5
119.03516	6.3
125.02467	3.2
129.01955	2.4
131.03517	60.9
131.87814	0.6
132.03824	2.4
133.05069	0.9
137.09714	1.2
143.03474	1.6
146.03734	1.3
149.04570	91.3
150.03189	0.9
150.04930	2.2
161.04666	1.2
161.06084	1.7
165.05595	1.1
167.07152	1.2
168.04260	0.6
168.07510	0.9
169.01447	0.9
173.04593	1.4
181.05124	0.6
182.05862	1.1
191.05623	40.4
192.05975	2.0
196.07373	0.7
197.08246	1.0
210.80215	0.6
221.06651	5.6
251.07549	3.7
281.08722	1.5
293.09113	0.6
311.09903	4.1
314.88211	0.6
325.79831	0.6
349.61499	0.8
357.13379	2.2
514.83984	0.8
517.33234	1.0
521.26788	0.6
525.19958	0.8
561.25220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41940	0.6
56.11460	0.6
57.03439	1.1
57.06341	0.6
57.19038	0.5
58.00595	2.8
59.01380	100.0
60.01713	1.1
61.98830	1.4
71.01386	53.4
72.99315	3.3
73.02945	6.2
83.01402	1.8
85.02962	8.8
87.00917	1.2
89.02454	92.4
90.02799	1.1
96.96027	2.2
97.02915	0.7
97.06508	0.6
98.20599	2.5
99.00906	5.4
101.02457	38.9
102.02795	0.9
107.24125	0.5
111.00912	2.3
113.02457	10.5
119.03512	5.0
125.02482	2.3
129.01958	1.9
131.03523	62.9
132.03877	1.6
142.06638	0.6
143.03487	1.2
149.04575	92.6
150.04924	2.6
161.04588	1.2
168.00732	0.8
169.01430	0.7
169.49210	0.7
173.04590	1.2
191.05629	40.2
192.06030	1.6
214.91457	0.7
221.06651	5.2
230.00078	0.8
251.07729	3.8
281.08768	1.0
293.08701	1.4
311.09872	4.0
561.20410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3269
Annotation	Montanin
Peak:m/z	Relative Intensity
55.01881	1.6
56.42474	1.1
57.03439	4.7
58.00575	1.4
59.01381	59.4
60.99303	1.8
61.98834	51.9
69.03454	2.7
70.46532	4.3
71.01388	27.9
71.05019	2.3
72.99308	2.8
73.02955	13.1
75.00875	2.2
77.28818	1.2
81.03471	2.6
83.01398	6.9
83.05033	5.4
85.02962	16.3
87.00884	6.3
87.04523	1.5
88.98820	7.3
89.02457	12.4
93.03468	14.8
95.01373	2.8
96.96007	2.8
97.02956	7.4
97.06586	1.6
99.00898	2.0
99.04518	3.8
101.02456	19.0
101.06119	1.8
107.01385	2.4
108.77639	1.3
109.06662	2.2
111.00883	4.0
111.04533	3.3
111.08162	1.5
113.02448	9.5
113.06058	1.5
119.03503	3.4
121.02972	9.1
123.00906	7.6
125.02464	17.1
127.03078	1.2
127.04028	4.3
129.05566	3.4
131.03461	1.5
135.04495	1.9
137.02467	25.7
139.00369	2.7
141.01999	1.3
143.03493	2.9
147.06667	12.6
149.99565	1.6
150.03229	2.4
151.00375	6.4
151.03979	1.4
161.04520	5.8
161.09778	2.3
163.03894	1.5
163.11404	1.6
165.05566	2.7
168.00662	2.7
169.01440	15.5
170.01758	1.7
177.05588	1.3
187.11267	2.1
189.07651	1.4
195.06644	2.5
205.12285	3.2
207.10268	2.9
207.13860	3.8
209.11838	3.4
211.02588	1.5
211.13304	1.6
223.13435	3.1
225.14810	1.5
227.12813	4.1
233.11787	2.6
251.12811	1.6
269.13959	6.6
272.14114	1.4
287.14923	4.7
291.10892	5.5
309.11850	19.1
332.53680	1.8
351.12997	4.3
367.17325	1.6
371.16855	1.6
397.09320	2.1
413.18225	1.5
431.19321	3.1
471.20203	1.8
497.20294	1.7
499.21710	3.6
511.20703	1.9
515.25195	2.1
515.32306	3.6
523.34869	14.1
524.22455	1.4
524.35156	2.7
541.22504	3.3
541.62683	1.4
542.22955	2.0
559.23651	28.7
559.32416	100.0
560.23969	4.8
560.32599	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	559.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26800	0.4
57.03455	2.2
58.00582	0.5
59.01381	20.7
60.01729	0.6
61.98832	100.0
69.57603	2.0
69.58027	1.6
71.01388	8.9
71.05027	1.0
72.99311	0.8
73.02953	4.7
75.00894	0.6
78.91909	0.6
80.62835	0.4
83.01392	2.9
83.05038	1.1
85.02947	3.2
87.00907	1.6
87.04525	0.4
89.02459	5.7
90.40954	0.4
95.01411	1.2
96.96032	1.2
97.02981	1.1
98.20679	0.8
99.00903	1.2
99.07014	0.4
101.02454	7.2
107.01424	0.9
109.02988	0.7
109.06643	1.0
111.00911	0.8
113.02477	2.9
119.03527	1.5
121.02972	1.2
123.00880	2.1
125.02480	3.5
127.04008	0.4
129.02014	0.4
129.05563	0.7
130.16650	0.5
131.03479	0.5
135.04559	0.5
137.02512	0.5
138.03256	0.4
139.00403	0.6
143.03574	0.5
147.06667	2.6
149.02406	0.4
151.00414	1.3
151.04033	1.1
151.07658	0.5
161.04585	1.9
161.09747	0.4
161.13396	0.6
163.06175	0.9
163.11311	0.8
165.07750	0.5
165.12851	0.6
168.00696	0.8
169.01448	3.3
179.05602	0.7
187.11380	1.0
189.12836	0.6
205.12473	1.4
207.10306	1.4
207.13989	0.6
209.11852	1.0
223.13486	1.1
227.12883	1.0
267.12347	0.6
269.13956	0.9
287.14871	0.9
289.07343	0.7
291.10822	0.5
305.17706	0.5
309.11896	4.5
310.12671	0.5
325.11536	0.5
327.12970	1.3
328.11795	1.6
335.22360	1.5
336.22665	2.7
337.22964	4.0
343.13992	6.6
344.14478	0.7
351.13312	1.0
497.19989	0.7
499.22400	0.7
499.28400	2.2
515.24976	3.5
516.24988	0.5
521.33252	1.1
523.22064	3.5
523.34534	2.2
524.22040	1.0
559.24512	15.9
559.32489	30.2
560.24841	3.0
560.33459	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	559.313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54180	0.4
57.02840	0.3
58.00584	0.4
59.01381	21.0
61.98834	13.5
71.01387	3.8
71.71550	0.7
72.07947	0.4
73.02934	1.3
76.12737	0.4
78.95909	2.9
83.01439	0.4
83.05025	0.5
85.02956	0.9
87.00861	0.8
89.02456	3.0
96.96007	0.6
99.00893	0.7
101.02464	2.8
103.81554	0.4
113.02438	1.8
116.92903	0.5
119.03524	0.7
125.02466	0.5
152.99596	0.6
159.73882	0.5
161.04601	1.2
230.86472	0.4
235.08165	2.1
253.09296	16.3
254.09744	1.0
263.20148	100.0
264.20496	9.7
277.21713	0.9
462.84366	0.4
465.93781	0.4
474.26462	1.5
498.76468	0.7
559.35956	0.9
560.36218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.7
57.03436	1.8
58.00570	3.6
59.01382	93.6
60.01686	1.1
61.98835	15.2
67.01839	0.7
69.03428	1.2
71.01388	63.2
72.99328	3.9
72.99647	0.8
73.02950	10.6
75.00869	0.9
78.98569	1.6
79.95724	2.0
80.96528	12.7
81.03416	1.0
83.01366	2.9
83.05002	0.9
83.39151	0.7
85.02961	11.3
85.06534	1.1
86.03275	0.8
87.00858	3.0
87.04449	0.9
89.02455	98.7
90.02782	1.0
94.98065	3.2
95.01387	1.0
96.95969	1.4
99.00888	4.1
99.04482	0.9
101.02457	43.7
102.02795	0.9
108.01545	1.1
108.02190	15.2
109.02972	17.9
111.00908	4.3
113.02464	11.0
119.03532	7.4
121.02895	2.1
122.03706	3.1
123.00852	3.3
123.04491	1.0
124.01665	1.2
125.01743	0.7
125.02474	7.3
127.07603	1.0
129.01883	2.6
131.03526	59.4
132.03766	1.1
134.03717	1.8
135.04469	2.6
137.02403	1.8
139.99223	0.8
143.03468	1.9
146.03676	1.0
148.99214	1.1
149.04578	100.0
150.03311	4.6
150.04840	2.2
151.03993	1.5
152.01167	20.3
153.01964	15.7
161.04485	2.5
161.05865	1.0
164.04697	1.6
164.98540	2.2
165.01859	2.6
165.05580	7.6
167.07161	32.2
168.07486	1.4
169.01447	5.3
173.04480	1.8
177.05518	1.5
179.03362	1.2
179.07072	3.8
180.04245	1.7
181.01358	2.3
181.05005	1.2
191.05638	30.4
192.05879	0.9
195.06662	6.1
221.06657	6.3
225.00708	3.8
225.07732	0.8
251.07610	3.2
275.02069	0.8
275.07751	0.9
281.08844	1.0
293.08594	2.2
299.04269	1.0
305.60162	1.1
311.09900	6.7
315.07028	1.4
315.12375	2.0
343.11621	1.9
371.09460	1.5
499.28909	2.1
511.18814	2.2
541.18622	1.4
559.20380	60.8
560.20752	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	559.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.7
61.98832	14.6
69.43874	8.7
69.44276	1.9
71.01392	7.0
72.99332	1.2
73.02956	5.1
83.01373	1.0
83.05029	0.9
85.02963	4.4
87.00878	2.5
87.04531	1.1
87.93081	1.0
89.02457	2.4
93.03484	1.5
95.01421	1.2
95.75072	0.9
97.06596	1.1
101.02448	2.8
111.00861	1.3
113.02496	1.8
119.03513	1.2
121.02962	2.3
122.03722	1.9
123.00963	1.0
123.04556	1.5
125.02466	6.0
132.02260	1.6
133.02969	16.6
134.03670	1.7
135.04524	1.5
145.03023	1.6
147.04556	1.4
149.02458	20.0
149.06096	3.7
150.03264	22.4
151.03639	1.1
164.04861	6.0
165.05591	22.8
166.06239	3.3
167.07080	1.6
169.01447	3.1
180.04379	0.9
181.08699	4.7
195.06679	9.2
202.27145	1.1
211.02461	1.9
227.12846	1.4
271.04639	1.4
314.11462	2.6
315.12427	1.9
327.14465	14.8
328.14642	1.3
329.13968	9.8
330.14246	2.0
383.39590	1.2
475.19711	100.0
476.20010	17.1
505.20630	2.4
508.69785	1.1
515.21301	3.5
523.21802	72.6
524.22266	14.7
559.21490	6.6
560.20856	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	558.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28134	0.1
55.64262	0.2
59.01365	0.3
59.44865	0.1
61.98832	100.0
137.26823	0.1
229.72374	0.1
458.52512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.8
61.98837	13.1
67.38303	1.0
69.03465	1.7
71.01396	5.0
73.02943	5.0
84.62708	0.9
85.02960	5.5
87.00883	1.8
89.02471	1.9
92.15527	1.2
93.03503	1.0
98.20619	2.6
101.02469	2.5
108.02216	1.2
121.02982	3.1
122.03761	2.1
123.00952	1.4
123.04538	1.9
125.02444	2.8
127.07679	1.8
132.02162	2.5
133.02985	13.8
135.04550	1.4
145.02945	2.5
147.04509	1.9
149.02469	20.5
149.06119	3.2
150.03246	23.4
151.03873	1.3
153.05583	1.6
164.04845	6.2
165.05595	20.8
166.06343	3.1
167.07138	2.2
169.01460	2.5
169.75305	1.2
181.08759	3.6
195.06647	9.9
206.50954	1.0
229.83693	1.1
314.08298	1.6
314.11743	2.3
315.12384	1.7
327.05157	1.1
327.14493	14.4
329.13943	9.1
475.19748	100.0
476.20020	15.6
505.21066	2.0
515.21460	2.5
515.32135	1.6
523.21857	69.1
524.22205	12.4
559.20514	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	558.293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88069	0.2
54.52618	0.2
58.69441	0.2
59.01374	1.3
60.07241	0.2
60.80929	0.3
61.98833	100.0
69.61267	2.2
71.70069	0.2
78.95936	0.4
90.38351	0.2
96.96053	0.3
130.41064	0.2
152.99577	0.4
176.93620	0.3
183.13898	0.4
209.11801	0.3
210.12158	0.3
211.13420	0.3
223.84808	0.3
423.32822	0.4
487.34323	0.8
495.29950	0.6
558.42596	0.3
559.36627	0.3
561.26166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.2
61.98831	100.0
62.62853	0.1
62.98526	0.3
70.03310	0.1
71.71538	0.1
80.79903	0.1
124.13809	0.1
156.89238	0.1
158.52675	0.1
175.92619	0.1
287.51236	0.1
375.27979	0.1
431.06641	0.1
499.30130	0.1
559.35437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09484	0.1
59.01368	0.5
60.01708	0.1
61.98828	100.0
62.98536	0.3
67.84637	0.1
69.48481	0.2
69.48899	0.5
78.95921	0.6
96.96029	0.1
99.92579	0.1
111.30350	0.1
116.92884	0.3
152.99611	0.3
178.20544	0.1
224.06995	0.1
255.23268	1.5
255.25764	0.1
256.23672	0.7
257.24036	0.4
257.26575	0.1
258.24185	0.2
287.22284	0.4
324.50339	0.1
409.23615	0.1
480.30957	1.1
481.31403	0.3
482.31842	0.2
483.31711	0.7
557.32574	0.3
557.44568	0.3
558.32965	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	557.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03460	1.7
59.01377	2.9
61.16131	0.3
61.98833	8.1
67.01881	0.6
69.03456	7.7
69.43181	0.6
69.43591	2.6
71.01384	2.1
71.05020	2.6
73.02946	0.6
78.95898	0.5
80.02682	1.2
80.78171	0.3
81.03470	2.0
83.01393	2.1
83.05033	5.5
84.02175	1.4
85.02971	0.4
89.02436	0.4
95.05001	1.6
96.96014	0.9
97.02963	0.8
97.06607	1.6
99.00898	0.5
101.02448	0.4
109.06612	0.7
111.04515	0.3
111.08208	0.6
120.05858	0.3
121.06586	0.4
123.08179	2.3
124.01687	1.1
125.02442	1.4
125.06123	0.8
125.09733	4.2
126.27112	0.3
135.08168	1.1
135.11816	0.4
137.09776	0.7
149.09746	1.1
149.99596	0.8
151.11307	5.2
153.12851	1.6
155.07179	0.6
161.09726	7.4
162.10094	0.6
163.11311	4.1
165.12845	2.7
166.67569	0.3
168.00670	2.1
171.10277	0.4
179.10786	20.6
180.11179	1.6
181.12407	0.8
185.11861	1.4
191.10808	1.2
197.11839	73.1
198.12161	4.4
207.10281	0.4
209.11836	60.6
210.12152	4.0
219.13686	0.3
221.11938	0.3
223.09784	2.3
225.11363	0.4
227.12898	6.0
228.13226	0.4
241.10812	8.9
297.13437	3.8
315.14520	11.0
316.14920	0.5
335.22549	0.3
389.23193	0.5
445.25568	0.4
463.26929	1.0
507.25986	1.1
525.27008	100.0
526.27380	18.8
557.29150	6.1
558.30939	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	557.3112
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
51.01304	1.1
57.03444	2.6
59.01382	26.1
61.98833	53.5
69.03468	1.8
71.01388	9.9
71.48858	2.4
73.02972	5.0
83.01408	2.0
83.05027	3.3
85.02955	8.6
87.00915	4.2
88.98834	4.0
89.02451	9.0
95.01418	2.6
96.96041	2.3
97.06613	1.5
99.04533	1.3
101.02477	9.1
103.04086	1.5
103.22903	1.2
109.06668	1.6
111.00945	1.6
113.02507	5.8
117.03484	1.7
119.03492	2.7
121.02987	1.6
123.00942	3.7
123.08236	1.5
124.01692	2.2
125.02466	8.4
127.04002	1.4
127.07668	1.6
137.02460	3.1
138.91441	1.2
139.00446	1.5
140.01219	2.3
141.09239	1.4
145.02986	1.9
145.05080	1.5
146.03793	4.1
147.11958	1.4
149.06105	2.3
149.99683	1.2
150.03265	1.3
151.00439	4.0
152.07231	2.8
153.09415	1.2
161.04654	3.6
161.06154	2.3
163.06200	5.8
164.04886	2.3
165.05629	2.1
168.00723	4.0
169.01447	9.0
177.05653	2.7
179.05699	3.1
179.07083	12.9
187.11372	2.1
222.60341	1.4
223.13425	1.2
227.12947	1.4
271.04715	1.8
308.22806	1.3
325.11569	6.1
331.17877	1.5
335.22266	14.0
336.22733	2.9
341.12500	2.1
398.38620	1.6
449.66733	1.3
478.74789	1.4
497.20981	1.6
513.23907	1.7
513.30835	6.2
521.20752	8.2
521.33276	31.0
522.33704	7.3
557.23743	12.2
557.31390	100.0
558.24750	3.3
558.31934	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	557.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03428	0.5
58.00596	0.5
59.01379	10.8
60.99284	0.9
61.98817	1.4
67.01894	0.8
68.99837	0.4
69.03454	0.8
71.01386	6.6
71.72585	0.4
72.99303	1.1
73.02582	0.4
73.02956	3.9
75.00859	0.4
78.95895	0.3
79.01900	0.8
83.01393	1.6
85.02956	2.6
87.00873	1.1
87.04537	0.5
88.98812	4.5
89.02451	4.1
90.08128	0.3
93.03474	0.4
95.01408	2.1
97.02946	1.1
99.00903	0.8
99.04527	0.4
101.02449	4.6
103.03934	0.3
107.01396	3.6
108.02222	0.4
109.02957	1.2
111.00893	2.0
112.98882	0.4
113.02476	3.5
115.04082	0.3
116.92857	0.8
119.03506	1.6
119.47398	0.3
120.99655	1.1
123.00907	13.4
123.04519	2.3
124.01701	0.5
125.02467	19.1
126.02773	0.6
127.00375	0.6
127.04034	1.0
131.03517	0.4
132.63043	0.3
135.04533	0.5
136.98813	1.0
137.02458	0.8
138.76897	0.3
139.00380	3.4
139.03955	0.7
140.01212	2.9
141.01927	1.6
143.03505	1.1
145.05013	0.5
151.00397	9.0
151.03954	0.5
151.06078	0.4
153.02005	2.2
153.05589	4.1
153.09204	0.4
161.04590	0.9
163.06145	1.4
165.01930	0.4
165.05463	0.5
167.03534	0.5
168.00668	2.7
168.04260	0.3
169.01445	26.5
170.01762	1.1
179.03459	0.5
179.05576	1.1
181.05031	0.7
187.09805	0.6
193.05069	0.4
195.06567	0.4
197.04494	0.4
201.11351	0.5
205.07127	0.4
209.04689	0.4
209.08228	0.6
209.53421	0.3
211.02475	3.5
223.02469	0.4
271.04520	4.3
286.55908	0.4
307.10345	3.3
313.05612	4.2
314.05994	0.7
325.11395	5.4
326.11734	0.5
367.12469	4.1
368.12759	0.5
395.13757	0.5
397.51303	0.4
407.36768	0.4
467.11969	8.7
468.12469	1.4
527.21246	0.4
557.22498	100.0
558.22852	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	557.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
57.03440	2.2
57.37626	1.2
59.01378	96.4
61.98816	2.8
62.67871	1.3
69.03459	4.1
69.93122	7.4
71.00980	2.7
71.01382	51.8
72.99302	1.8
73.02953	21.5
78.72357	1.4
81.03469	2.3
83.01390	8.4
85.02946	18.3
85.06567	1.7
87.00872	6.8
88.98792	4.1
89.02456	26.0
95.01384	2.5
96.96006	3.8
97.02966	4.5
98.20654	1.4
99.00890	5.4
99.04521	3.4
101.02452	35.9
109.02962	12.1
111.00896	2.3
111.04507	4.4
113.02462	22.0
113.06050	1.6
115.04041	4.5
119.03496	9.4
120.99641	2.4
123.00893	4.0
123.04546	3.0
125.02461	19.6
126.02884	1.8
127.04021	19.8
131.03488	2.4
139.04028	12.3
143.03517	15.7
144.71841	1.4
145.05104	11.9
151.00365	3.6
153.05589	2.3
159.02994	1.8
161.04570	16.5
163.06134	59.3
164.06424	3.1
165.05531	1.7
168.00639	1.7
169.01451	9.1
179.05598	5.5
187.06113	3.7
195.06575	1.7
204.67052	1.3
205.07149	4.8
219.04976	1.4
229.07146	11.7
249.76175	1.6
271.04440	2.3
307.10345	100.0
308.10785	9.1
313.05835	2.3
325.11398	66.1
326.11697	4.9
345.90244	1.8
346.83112	2.0
367.12445	98.3
368.12848	9.3
464.47363	1.4
465.16043	7.5
467.11887	4.7
557.14111	2.3
557.22546	31.4
558.23401	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	557.189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52893	0.6
57.03434	1.1
58.00558	0.8
59.01379	12.1
61.98835	18.3
67.30344	0.5
69.03448	4.1
71.01382	5.2
71.48722	0.6
71.49070	1.3
72.99304	0.8
73.02960	2.7
79.01857	0.9
81.03429	1.6
83.01387	3.7
85.02916	2.2
87.00867	1.0
87.04491	0.8
88.98771	1.0
89.02420	1.7
93.03429	1.6
95.01359	2.0
97.02964	3.5
101.02464	2.8
107.01352	2.0
108.02107	1.3
109.02900	1.7
109.06563	0.7
111.00832	0.8
113.02415	1.8
119.03526	0.6
119.04982	2.2
121.02962	4.9
122.03762	5.9
123.00115	0.7
123.00911	9.0
123.04475	1.7
123.08083	0.5
124.01691	20.0
124.84399	0.5
125.02468	68.9
126.02737	2.3
127.04037	0.5
133.02928	1.7
134.03729	1.0
135.04503	1.0
136.01645	0.7
137.02481	3.4
137.09689	0.8
139.00330	1.0
139.03941	0.5
139.11308	2.7
141.01851	0.6
147.04433	1.9
149.02487	6.4
149.06006	2.4
149.99620	27.7
150.03242	33.3
151.00180	3.2
151.03755	1.7
155.10826	4.0
161.02354	0.9
161.04530	0.6
161.06024	0.9
163.04060	2.9
164.04674	1.8
165.05592	37.7
166.05838	1.8
167.03398	2.2
168.00668	66.1
169.01443	32.7
169.02850	0.6
169.04759	0.5
169.12221	0.8
170.01700	1.6
177.05548	1.1
179.03412	1.0
179.07014	1.8
180.04169	1.7
181.05017	0.7
181.08626	0.6
181.12216	1.1
183.10159	2.1
195.06660	21.1
196.06874	1.0
199.09627	2.4
211.02365	2.0
225.11276	2.6
226.26758	0.5
227.12881	0.6
243.12177	1.8
281.62097	0.6
313.05319	1.8
315.11679	0.6
346.13956	0.7
347.14703	1.1
361.16525	11.2
362.16443	1.4
405.20798	2.3
415.17093	1.7
467.16315	0.7
495.18481	0.8
495.28574	0.6
497.16748	0.8
497.19952	0.8
497.26920	1.1
509.21646	12.5
510.21207	2.0
513.19409	1.6
513.30371	1.0
521.20520	2.4
539.22229	2.6
557.18408	100.0
558.18756	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	557.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15965	0.5
53.01986	0.4
59.01388	2.8
61.98822	0.5
63.51550	0.5
65.00328	1.1
67.01889	1.3
68.99812	0.8
69.03475	0.8
69.81702	3.6
71.01383	5.6
72.99325	1.5
73.02965	1.3
79.01911	1.4
83.01400	2.0
85.02961	2.2
87.00890	2.2
89.02444	0.9
92.82483	0.5
95.01422	2.6
97.02969	1.2
101.02457	2.8
107.01408	11.4
109.02888	0.5
110.00072	0.8
111.00910	4.7
113.02449	2.0
120.99688	0.6
123.00893	22.1
123.04568	0.8
124.01739	3.6
125.02460	51.3
126.02802	2.4
127.00396	2.4
136.98827	3.5
137.02435	2.7
138.03236	1.7
139.00398	8.6
139.04022	3.6
140.01184	8.7
141.01979	2.9
149.02460	1.7
150.99158	0.8
151.00378	14.2
151.04024	1.4
152.01183	1.2
152.04893	0.5
153.01932	1.8
153.05673	0.8
161.02466	1.1
163.04088	0.6
164.01218	0.8
165.01941	17.9
166.02754	5.1
166.99867	1.9
167.03537	3.8
168.00658	13.5
168.04286	0.6
169.01442	75.4
170.01778	3.5
177.01959	3.1
178.02701	1.1
179.03510	8.3
180.04303	15.4
181.01439	0.7
181.05046	3.9
182.02173	0.9
183.02985	12.9
184.03441	0.6
188.77498	0.5
191.03645	0.5
192.04291	1.8
193.01360	0.7
193.05061	1.6
194.05826	2.8
195.02911	0.6
195.06622	13.1
196.06941	0.7
197.04654	0.6
209.04575	1.3
210.01657	2.8
210.05301	1.3
211.02507	6.6
223.02522	1.2
225.04050	11.6
225.07680	1.6
241.03549	1.7
249.03986	0.7
253.03532	0.7
271.04504	4.4
275.01926	1.1
285.06161	15.6
286.06451	1.8
297.06134	3.8
300.99911	0.8
307.10376	0.7
312.05109	0.5
313.05649	17.6
314.05951	1.8
325.11456	0.9
327.07211	3.7
333.79248	0.6
345.08264	1.4
373.07922	2.1
385.07767	8.8
386.08044	0.9
469.17154	0.7
509.12988	67.0
510.13330	9.8
521.13348	0.9
539.14014	14.0
540.14319	2.0
557.15179	100.0
557.22443	4.5
558.15479	18.2
558.22980	0.9
584.46539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
61.98831	100.0
71.04996	0.3
71.71422	0.3
78.95925	1.3
93.78758	0.3
96.96109	0.3
96.98725	0.3
125.09791	0.4
125.19624	0.3
152.99611	0.6
180.46527	0.3
182.41110	0.3
209.11806	0.3
220.21767	0.3
242.08086	0.6
279.23279	16.6
280.23691	2.7
280.71045	0.3
281.23959	0.9
475.78745	0.3
504.30841	6.8
505.31433	1.7
506.31628	0.9
557.27606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02120	0.5
59.01384	0.7
60.36000	0.4
61.98830	100.0
68.57675	0.4
71.67574	0.5
71.67932	0.7
78.95917	3.3
84.00897	0.6
96.96040	1.1
117.52940	0.5
152.99617	0.9
160.46320	0.5
168.04330	0.7
224.06735	0.9
241.21660	1.1
279.23267	10.2
280.23593	1.5
281.23853	0.9
438.78009	0.6
471.34790	16.5
472.35120	3.7
504.30856	7.6
505.31216	1.3
506.31360	1.2
556.32605	67.7
557.33112	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	557.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91599	0.6
52.98033	0.5
53.11351	0.6
59.01379	4.2
60.98212	0.5
62.86763	0.5
63.91654	0.6
67.01881	1.3
68.99839	0.8
69.03452	1.1
71.01389	5.6
71.22292	1.6
72.99312	1.0
73.02953	1.6
79.01905	1.2
83.01391	2.2
85.02940	1.9
87.00885	1.3
88.82179	0.5
89.02447	0.9
95.01392	2.6
97.02972	1.1
99.00902	0.7
101.02441	2.5
102.85840	0.5
107.01406	9.9
107.15723	0.5
109.38647	0.5
111.00897	5.3
111.36467	0.5
113.02454	1.7
116.92923	0.8
121.03028	0.8
123.00903	18.7
124.01730	3.3
125.02464	43.6
126.02779	1.6
127.00373	1.9
136.98822	3.2
137.02458	2.6
138.03268	2.9
139.00395	7.0
139.04025	3.1
140.01167	7.8
141.01923	1.9
149.02455	1.5
151.00392	11.1
151.03996	1.6
152.01140	1.5
153.01947	2.3
153.05637	0.6
153.37648	0.6
161.04544	0.8
164.44327	0.5
165.01944	15.0
166.02736	4.3
166.99840	1.6
167.03432	2.4
168.00659	11.0
169.01439	64.1
170.01753	2.8
173.95534	0.5
177.01924	2.3
178.02635	1.1
179.03497	6.7
180.04308	14.0
181.05066	4.0
183.02985	10.3
188.17383	0.5
192.04169	0.8
193.05072	1.1
194.05824	2.3
195.02991	1.1
195.06633	12.4
210.01692	2.3
211.02475	7.2
212.75865	0.6
225.04059	9.2
225.07658	1.5
241.03403	1.0
248.96619	0.6
253.03558	0.9
271.04575	5.6
285.06128	12.0
297.06232	2.7
307.10516	0.8
308.78409	0.6
313.05640	17.5
314.05930	1.6
327.07199	2.0
345.08130	1.4
367.12451	0.7
373.07751	2.7
379.27954	0.6
385.07703	8.4
386.08566	1.3
389.12216	0.9
399.09534	1.1
403.08725	1.9
405.10361	1.8
497.52689	0.7
509.12976	39.8
510.13419	5.4
521.12939	1.8
539.14020	13.5
540.13824	2.7
557.15173	100.0
558.15509	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	556.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.3
57.19197	0.1
59.01381	1.8
61.98833	100.0
62.21459	0.1
69.51153	1.2
71.01382	0.7
71.58616	0.1
73.02968	0.5
83.01422	0.2
85.02987	0.3
85.52122	0.1
87.00899	0.2
88.98833	0.4
89.02472	0.4
95.01416	0.3
101.02473	0.6
107.01418	0.5
108.73853	0.1
109.02972	0.2
111.00941	0.2
113.02445	0.1
121.03020	0.2
123.00928	0.6
123.04575	0.3
125.02465	4.1
125.03399	0.2
127.07652	0.2
137.02525	0.2
139.00412	0.2
139.04060	0.3
139.11337	0.3
149.02501	0.4
149.99631	0.2
151.00443	0.4
151.03995	0.2
165.01982	0.1
165.05643	0.1
166.06380	0.6
167.06750	0.1
168.00720	0.6
169.01454	2.8
169.02786	0.3
169.05191	0.3
170.01904	0.2
177.39929	0.2
181.08713	0.3
181.12354	0.2
183.10300	0.3
195.06671	0.2
211.02574	0.6
227.13026	0.2
231.06734	0.2
243.12364	0.9
271.04715	0.6
281.29385	0.1
285.13556	0.3
299.99030	0.2
300.99942	0.2
313.05789	0.2
325.11624	0.2
345.15790	0.2
405.16916	0.8
405.22321	0.3
493.10226	0.3
496.22119	0.3
496.32129	0.4
521.20667	0.4
521.33661	0.2
556.22150	0.6
557.06409	0.3
557.22052	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	556.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58916	0.2
59.01383	0.6
61.98831	100.0
62.98528	0.3
71.67529	0.4
78.95918	0.6
88.42561	0.2
96.96063	0.2
120.33363	0.2
152.99594	0.4
172.20230	0.2
209.11932	0.8
211.13492	0.3
305.24911	0.2
360.16101	0.3
556.33154	0.4
557.26691	0.3
557.35400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69098	0.2
59.01381	0.5
61.98832	100.0
79.95763	0.4
86.01920	0.2
88.43449	0.2
92.31789	0.2
95.95228	0.3
96.96039	0.8
124.36071	0.2
183.13899	0.6
197.11874	0.3
211.13461	0.3
259.55038	0.3
283.25241	0.3
463.42130	0.3
518.32111	2.6
525.27185	0.8
557.31793	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96453	0.2
59.01379	0.8
61.98832	100.0
77.94308	0.2
78.30775	0.2
79.76274	0.2
84.56471	0.2
96.96067	0.6
98.19862	0.3
186.28363	0.2
205.45810	0.2
259.71344	0.2
556.33234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2789
Annotation	ciguatoxin IJKLM cyclic acetal
Peak:m/z	Relative Intensity
51.36978	0.4
58.03509	0.4
61.98834	5.9
81.79421	0.4
87.33920	0.4
90.15118	0.4
98.20599	1.7
99.92601	23.7
100.92624	1.1
100.93388	2.8
115.92096	51.8
116.92105	2.6
116.92896	2.7
132.92381	0.4
196.94891	0.4
229.81818	0.6
378.24042	0.4
455.35349	1.7
537.26733	1.1
540.25494	0.5
551.24426	0.7
555.27905	100.0
556.28192	24.2
569.25897	3.6
570.26331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2849
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
57.03444	0.4
59.01382	0.7
59.11406	0.2
61.98803	0.3
63.96239	0.9
64.36192	0.2
69.03457	0.4
70.80880	0.3
70.81206	0.6
71.01386	5.7
73.02940	1.7
78.58263	0.2
78.98592	5.1
79.07653	0.3
79.95740	7.7
79.96183	0.5
80.96520	57.1
81.03465	0.5
81.96440	0.3
83.01427	0.5
85.02969	2.3
87.00874	2.4
87.04522	0.2
91.04018	0.3
94.98093	13.0
95.01368	0.3
96.96019	0.9
97.02939	1.3
99.00881	0.6
101.02447	2.2
106.98097	2.9
113.02450	0.4
122.97589	2.8
125.02441	2.3
127.04011	0.8
134.97607	3.9
136.99156	1.3
139.14461	0.3
146.97679	0.4
148.99153	5.5
152.98657	6.2
164.98639	11.3
165.98970	0.5
167.00191	0.5
206.99690	2.4
211.52174	0.2
225.00742	15.1
226.01112	0.7
255.23283	1.8
256.23642	0.2
259.07928	0.2
287.28427	0.3
299.04474	3.1
300.04550	0.3
403.87976	0.2
518.17645	0.3
555.28473	100.0
556.28815	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	555.318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48653	0.2
53.80789	0.2
54.88218	0.2
59.01380	100.0
60.01715	1.2
61.98832	6.4
66.12164	0.2
69.25446	0.2
71.56897	0.4
80.02662	0.2
83.05042	0.8
96.96022	0.6
117.75774	0.2
125.09749	0.3
140.08826	0.2
163.11301	0.6
165.12836	0.5
171.10266	0.8
172.44856	0.2
183.13901	1.9
191.10786	0.4
193.12364	0.5
209.11844	26.5
210.12189	1.5
211.13406	40.3
212.13721	2.2
227.09560	0.3
227.12923	3.3
233.15388	0.2
249.14958	0.6
285.17020	0.4
377.27060	0.3
384.89560	0.2
385.24023	0.2
403.24966	0.5
433.25763	0.4
459.27621	0.9
477.28534	0.6
495.29309	0.4
503.17758	0.2
555.28931	0.4
555.37201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10447	0.5
56.17469	0.5
57.03443	1.1
59.01379	63.0
60.01713	1.0
60.20377	0.5
61.98830	39.5
62.35221	0.5
69.03478	0.7
71.01387	6.8
71.73694	1.0
73.02955	7.2
74.44882	0.6
75.00885	4.1
75.89531	0.5
79.85396	0.7
83.01392	6.1
83.05028	1.0
85.02983	3.1
86.86665	0.5
87.00896	1.2
87.04535	1.4
88.98808	1.0
89.02448	2.5
93.03466	15.3
94.03810	0.8
95.01415	0.9
95.05027	0.7
96.96017	0.9
97.06605	1.4
99.00902	0.9
99.04512	1.5
101.02451	6.9
108.02190	3.8
109.02963	1.6
109.06586	0.7
111.00902	0.8
113.02475	3.1
119.03506	0.7
121.02972	59.4
121.06654	0.8
122.03336	2.3
123.00904	2.0
123.04539	100.0
124.01650	1.6
124.04837	3.4
125.02452	6.4
131.03534	0.8
135.04536	1.1
137.02493	1.3
145.03018	0.7
149.02475	0.8
149.99606	1.5
150.03261	2.6
151.04004	0.6
152.01154	2.5
153.01762	1.0
161.04587	1.4
164.04840	0.5
165.05550	3.3
165.12885	0.7
166.06236	0.8
167.03482	1.9
167.07112	0.7
167.10791	1.3
168.00642	3.5
169.01433	2.9
179.03545	0.5
179.05688	0.7
181.05106	1.6
181.08659	0.8
183.03040	0.7
195.06667	1.3
196.07414	0.8
207.13943	2.5
209.11853	3.8
211.09834	0.6
223.09784	0.8
223.13393	1.2
225.14943	6.5
227.12886	32.3
228.13159	2.7
233.11807	0.8
240.04221	1.4
251.12924	1.8
259.68567	0.6
269.13882	3.3
271.04846	0.8
283.06158	0.9
285.09848	0.6
287.14999	6.8
293.14261	0.6
313.10803	3.3
329.12555	0.9
343.11810	0.8
363.23984	5.3
383.62375	0.6
385.12344	0.7
431.19214	2.3
466.70905	0.6
495.27478	1.4
507.20493	1.2
511.29239	0.7
519.32208	1.3
537.23523	6.0
538.23578	1.1
555.24500	94.4
556.24976	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	555.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03464	1.9
58.00615	0.4
59.01381	100.0
60.01715	0.7
60.99314	0.7
61.98834	13.3
69.03458	1.0
71.01387	7.6
71.53158	0.5
71.53499	0.8
73.02952	7.3
75.00883	1.6
83.01398	4.4
83.05035	0.4
85.02965	1.8
87.00900	1.0
88.98813	0.6
89.02452	2.0
90.86380	0.4
95.01407	0.7
97.02953	0.5
97.06628	0.9
99.04544	2.5
101.02460	6.9
107.04948	0.4
109.02977	0.5
109.06634	1.1
113.02471	5.1
119.03560	0.9
123.00861	0.5
123.04536	1.3
125.02448	2.5
131.03545	0.9
137.02466	0.6
143.03522	0.5
149.02446	0.4
150.03340	0.5
161.04610	2.0
165.05576	0.6
165.12813	1.8
166.06430	0.4
167.03539	1.7
167.10791	0.9
168.00652	1.0
169.01503	1.0
179.07210	0.7
181.08781	0.5
183.10194	0.4
189.12805	0.5
193.05193	0.8
195.06641	0.6
207.13922	9.6
207.94113	0.4
208.14114	0.4
209.11841	9.4
210.12192	0.4
225.14978	16.0
226.15421	0.9
227.12898	63.8
228.13234	4.1
233.11958	0.5
249.14789	0.4
251.12935	2.9
254.18733	0.4
269.13950	17.7
270.14551	0.8
287.15009	98.3
288.15347	7.6
293.13956	1.7
305.12439	0.5
311.14996	1.7
329.16086	6.5
331.15894	0.5
359.17188	6.6
360.17322	1.0
363.23886	1.4
371.17075	0.8
387.16315	0.4
389.18182	25.4
390.18604	2.6
410.14206	0.4
431.19226	2.4
449.20285	73.9
450.20584	7.2
495.28052	0.9
510.98447	0.4
519.31512	0.6
537.23615	0.6
555.24463	23.9
556.24799	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	555.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38892	0.8
51.96929	0.9
57.03429	1.2
59.01379	26.3
61.98833	53.7
62.98547	0.9
66.39772	0.8
71.01389	14.7
72.01716	1.1
72.99327	2.7
73.02950	3.4
74.99138	0.9
81.50335	0.8
82.54667	0.8
83.01402	1.3
83.05051	1.3
85.02963	4.6
87.00881	2.6
88.98813	2.3
89.02452	9.4
93.03466	3.4
95.01401	3.2
95.05034	0.9
96.96027	2.0
97.02952	1.1
98.19823	1.6
99.00892	1.1
101.02460	8.0
107.01395	2.1
108.02184	3.9
109.02976	11.2
111.00872	1.4
113.02470	6.6
119.03526	3.5
119.04996	2.2
121.03016	4.5
122.03777	12.4
123.00904	4.4
123.04549	7.5
124.01646	1.3
125.02464	13.0
128.04863	1.0
131.03513	1.1
132.02145	1.3
133.02971	7.7
134.03793	2.0
134.86877	0.9
135.04549	5.0
136.01688	3.1
136.12805	0.9
137.02541	1.7
139.04033	1.1
139.11325	2.1
147.04539	1.3
149.02464	23.0
149.04407	1.1
149.06099	1.7
150.03250	100.0
151.00430	2.2
151.04039	18.6
152.01112	1.4
153.01970	1.9
159.04530	4.2
161.02432	1.4
161.04590	1.9
161.05920	0.9
163.04037	1.6
164.04800	7.7
165.05591	87.8
166.06004	3.7
168.00612	2.6
169.01425	14.7
173.06070	3.2
175.02304	1.0
177.01973	2.1
177.05667	1.0
178.02739	1.4
179.03514	2.9
179.05667	1.7
179.07185	1.7
180.04303	4.8
181.05077	13.3
183.10281	2.4
189.05595	2.7
191.07184	1.5
193.05104	2.5
195.06636	49.7
196.06973	3.4
197.11974	1.0
199.13388	4.2
203.07150	3.0
205.08713	0.8
209.11853	18.2
210.12160	1.1
211.02534	3.0
213.14951	2.4
227.12901	3.8
230.20110	0.9
240.04208	1.9
241.05165	6.9
253.09244	3.8
255.02838	1.6
255.06659	2.2
256.03354	2.5
267.06580	1.8
269.08252	1.5
271.02350	2.7
271.04816	2.0
272.02795	4.1
281.08234	1.5
295.10101	2.5
297.07648	4.1
298.08328	1.6
299.09250	3.8
300.02704	3.5
301.03125	6.9
309.26917	1.0
311.09204	2.0
313.05823	2.4
313.10638	5.7
315.05081	10.0
316.05453	17.1
317.05756	1.8
329.10312	3.2
331.24930	2.1
342.09448	1.5
344.12698	13.1
345.13220	4.5
357.11890	8.4
358.13229	1.1
359.15012	33.5
360.15363	3.8
393.28705	4.9
401.16046	1.9
403.16159	1.7
423.19159	2.1
431.15265	1.1
437.44443	1.0
443.14978	1.3
447.14310	2.7
461.15997	8.7
477.15570	2.4
492.08795	3.7
492.17862	1.8
493.22922	9.1
495.31677	3.7
507.20233	95.9
508.20547	17.4
511.17896	2.2
537.19739	1.4
555.22064	22.4
555.33795	22.2
556.22382	4.7
556.34381	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	555.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
58.00592	0.6
59.01380	13.7
60.99305	6.3
61.98831	29.1
66.22639	0.5
67.01882	0.5
71.01389	3.9
71.67997	1.0
73.02946	2.8
80.96516	0.7
83.01404	1.4
85.02970	2.0
85.04346	0.5
87.00907	1.4
88.98817	44.1
89.02435	4.4
89.99171	0.7
93.03456	3.0
95.05055	0.7
97.02974	0.8
97.06583	0.8
101.02441	3.0
105.03439	0.6
108.02177	1.9
109.02985	1.6
113.02468	1.6
116.92877	2.8
119.05045	0.9
121.02966	7.5
122.03767	15.3
123.00901	1.6
123.04556	8.1
123.08212	0.6
124.01710	1.2
125.02482	5.7
133.02991	1.8
135.04536	1.8
136.01683	1.5
136.84662	0.6
137.02441	1.9
138.03233	0.7
139.00394	1.6
139.04083	0.8
139.11346	0.8
141.01990	0.7
145.02943	0.7
146.99608	0.5
148.05231	0.5
149.02464	18.9
149.06097	1.2
150.03244	84.2
151.00380	1.3
151.03514	3.6
151.21497	0.5
153.05594	0.6
154.02702	1.2
161.06081	0.8
161.23395	0.5
163.04016	3.0
164.04854	5.9
165.05586	100.0
166.06177	7.0
167.03543	1.3
167.07181	1.1
168.00674	1.2
169.01445	5.1
169.05066	0.8
170.98058	0.5
177.05574	1.0
179.07143	0.6
180.04301	6.3
181.05061	0.9
181.08728	2.1
183.10312	1.0
185.95172	0.6
195.06635	73.3
196.06961	5.5
207.06622	2.5
212.04716	0.7
213.14282	0.5
221.05879	0.6
227.12929	2.5
237.07663	1.1
238.06479	0.6
238.76208	0.5
239.07356	0.6
240.04286	3.2
251.07256	0.6
255.06606	1.3
265.05087	0.9
267.06546	1.4
269.08157	5.3
269.11237	0.8
283.06516	1.4
283.09769	2.0
295.06116	6.3
297.11346	2.0
298.08499	3.8
299.09225	3.4
300.09793	1.0
310.08557	3.7
311.09232	4.1
312.10019	0.8
313.10858	6.4
314.11572	5.9
315.12082	1.5
325.10886	6.0
326.11331	5.0
329.13940	17.0
330.14246	1.8
331.06836	0.9
341.14008	10.3
341.83112	0.6
342.14288	1.6
343.11856	3.8
345.13535	1.4
355.11957	1.2
355.56494	0.6
363.23660	1.5
373.12790	2.0
375.14255	1.1
377.00586	0.6
433.16638	0.8
449.18973	0.6
462.17047	0.8
477.19543	3.5
492.25186	2.6
495.31879	1.5
507.20200	11.3
508.20627	2.5
519.31476	0.9
525.21100	3.9
526.21588	1.3
537.21503	4.4
538.21344	0.8
555.24078	17.7
556.24811	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	555.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
57.03437	2.2
57.77195	0.9
58.00597	2.1
59.01380	39.5
61.98836	27.1
67.01895	1.2
68.99844	0.9
69.03462	1.5
71.01387	24.7
71.67370	0.8
71.67712	0.7
72.99310	2.4
73.02946	2.3
75.00916	0.7
78.95919	0.8
80.91688	1.9
83.01399	2.0
83.05008	0.9
85.02965	5.1
87.00896	2.4
88.98819	4.6
89.02457	29.1
92.89295	0.7
93.03487	2.9
95.01399	2.8
96.95984	1.0
97.02948	1.2
99.00883	1.4
101.02456	8.4
107.01395	1.3
108.02194	1.0
109.02978	1.9
111.00896	2.7
111.16112	0.8
113.02448	5.4
116.92857	0.9
119.03490	2.8
120.99612	0.9
121.02947	1.4
123.00897	6.1
123.04558	4.5
125.02460	12.3
131.03508	4.1
133.03000	2.5
135.04553	1.5
136.98903	1.0
137.02455	14.9
138.03296	4.2
139.00366	1.2
139.11276	1.7
140.01103	1.4
143.03508	1.3
149.02493	1.7
149.04552	7.2
150.03203	2.3
151.00392	2.3
151.04024	8.0
152.01175	2.8
153.01927	2.1
153.05621	7.5
161.02464	32.5
161.04489	1.3
162.02831	2.5
165.05603	3.1
166.02701	1.3
167.03510	10.6
168.00626	2.9
169.01431	13.3
169.91623	0.8
176.04802	51.1
177.01932	6.6
177.05173	2.6
179.03482	2.6
179.05556	1.0
181.05081	31.8
182.05852	62.6
183.06190	4.5
183.10255	1.0
189.77362	0.9
191.07152	61.5
192.04272	5.2
192.07492	3.9
193.04883	1.1
194.05867	1.2
195.06612	4.6
196.07439	12.5
197.08206	48.4
198.08549	3.2
207.06612	7.1
208.07306	2.4
209.04608	2.7
209.08141	3.2
211.02507	8.6
211.06177	1.0
223.09688	1.1
225.07701	1.3
243.12309	1.0
251.09259	19.6
252.09599	2.0
271.04581	8.7
277.73672	0.8
305.57166	0.9
313.05685	0.9
313.10791	1.1
329.10184	1.3
330.63098	0.9
331.06699	1.6
357.09921	1.7
359.13376	1.0
372.12100	2.0
387.14493	100.0
388.14789	12.7
393.28506	2.0
405.15573	5.9
429.53629	0.8
493.13382	4.8
493.22711	3.4
495.24255	1.6
495.31638	3.7
511.19263	1.0
537.19775	1.4
555.21417	22.3
555.33832	10.6
556.21069	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	555.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03437	1.1
58.00578	1.4
58.34294	0.6
59.01380	24.7
61.98834	11.7
69.43586	6.7
71.01386	16.4
72.99303	2.1
73.02945	3.4
74.99110	1.2
75.00880	1.0
77.35847	0.6
79.01864	0.8
79.65362	0.5
81.03461	1.0
82.69634	0.7
83.01405	1.8
85.02966	4.6
87.00890	2.1
88.98799	1.9
89.02459	15.8
95.01395	2.3
95.37057	0.6
96.96017	2.1
97.02955	1.2
99.00886	0.6
99.92593	1.0
101.02463	8.6
107.01409	5.4
107.05064	1.4
108.02209	0.9
109.02956	1.6
111.00903	4.0
113.02448	5.9
116.92854	6.5
117.92896	0.8
117.97366	0.7
119.03491	3.9
121.02982	1.7
123.00903	16.3
123.04540	1.4
123.08243	0.9
124.01720	1.2
125.02464	25.3
126.02795	1.1
131.03506	1.5
134.03743	2.6
135.04509	2.1
136.98997	1.5
137.02498	4.6
137.09650	0.6
138.03230	3.3
139.00375	4.6
139.03996	1.1
139.07654	1.5
140.01144	2.9
141.01947	2.0
143.03520	1.2
143.58195	0.7
145.02969	0.9
146.03748	8.0
149.02496	2.0
149.04567	1.1
149.06091	2.7
150.03239	6.3
151.00395	12.1
151.04042	5.3
151.07634	1.1
152.01143	1.8
153.01930	2.5
153.05603	1.8
160.65811	0.6
161.02426	0.8
161.04771	0.6
161.06099	3.8
162.03229	2.8
163.04056	0.9
163.06113	1.7
164.04779	5.7
165.01903	1.1
165.05614	6.7
166.99934	1.1
167.03516	4.2
167.07201	0.6
168.00659	5.8
169.01445	31.1
169.34100	0.6
170.01797	1.5
177.01918	0.7
177.05574	2.8
178.02719	1.8
179.03525	1.7
179.05644	1.9
179.07138	20.5
179.10713	0.8
180.04277	2.0
180.07500	1.5
181.05080	4.1
182.02296	1.3
182.05853	15.4
183.06635	21.6
184.06966	1.2
187.13318	0.7
192.86305	0.7
193.05092	4.0
195.06656	8.9
196.07199	1.0
197.04553	3.1
197.08197	17.0
198.08516	0.9
203.03661	1.0
209.04733	0.8
211.02492	5.2
217.14406	1.2
225.07526	0.7
239.05733	1.0
241.14388	0.9
251.09254	1.3
253.03560	1.1
271.04587	5.7
311.07559	0.8
313.05612	2.7
313.09073	1.0
331.06717	1.3
341.08792	0.9
345.11838	3.6
357.11923	5.3
358.12534	0.8
363.20334	1.0
375.14355	0.9
375.27600	0.9
385.11789	0.8
393.11285	1.4
393.16006	3.3
393.28638	3.4
403.12521	5.6
413.14691	1.3
413.30325	0.7
465.09912	0.7
493.13300	1.9
495.24500	1.3
507.14600	0.8
519.17755	1.3
537.19531	2.0
555.13995	5.4
555.20911	100.0
555.33557	20.8
556.14569	0.7
556.21173	19.5
556.34100	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	555.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10062	0.6
57.03458	3.5
58.00585	0.9
59.01382	41.0
61.98833	50.8
67.01900	1.0
68.99771	0.7
69.03458	1.6
71.01035	1.1
71.01387	14.5
71.05016	1.0
71.71809	0.7
71.72226	0.8
72.99278	1.3
73.02948	5.7
75.00870	1.6
81.03444	1.4
83.01397	5.1
83.05001	0.9
83.41400	0.6
85.02961	6.1
87.00875	2.3
87.04507	1.3
88.98793	2.6
89.02455	8.1
93.03469	2.4
95.01372	3.5
95.05041	1.4
97.02956	1.8
99.00860	1.0
99.04520	2.8
101.02452	10.6
107.01382	2.5
108.02196	4.9
109.02979	5.9
109.06593	3.1
111.00871	2.0
111.04568	0.7
111.08139	0.8
113.02464	6.3
116.92856	0.8
119.03483	2.9
119.05000	1.0
120.99672	0.8
121.02945	3.2
122.03758	14.1
123.00103	0.7
123.00908	8.5
123.04549	27.0
123.08126	0.8
124.01659	2.9
125.02464	18.7
126.02863	1.1
127.00368	1.0
127.07673	6.2
133.06664	0.7
134.03737	1.1
135.04530	1.6
135.18359	0.7
136.01669	1.4
136.98833	1.1
137.02454	7.6
139.00412	3.8
139.11305	8.8
140.01112	2.0
141.01997	1.0
142.52231	0.8
149.02478	6.9
149.04547	0.7
149.06015	1.6
149.99576	1.9
150.03247	5.0
151.00372	4.8
151.04037	3.5
151.07632	2.1
153.01906	2.3
153.09222	1.3
161.02374	1.3
161.04515	2.1
161.05997	1.2
163.04013	1.3
163.07619	1.7
164.04750	3.1
165.01947	1.5
165.05566	8.8
165.09219	1.0
166.05255	0.6
166.06366	6.2
166.99902	1.0
167.03473	1.4
167.07082	0.9
168.00656	9.8
169.01457	22.3
169.05090	1.1
169.08846	0.9
171.06627	3.8
177.09230	0.9
179.03496	1.2
179.05710	0.9
179.07156	4.2
179.10771	2.0
181.05066	2.6
181.08786	4.3
181.12296	2.6
183.10278	16.2
184.10640	1.0
185.02341	0.8
193.05070	0.8
195.06593	2.9
196.07449	1.6
197.11807	1.6
199.13315	1.1
203.07153	1.4
203.10803	2.1
211.02478	7.3
211.09721	1.7
221.11742	1.6
225.11356	4.4
227.12787	1.4
240.04242	1.0
241.11023	0.8
243.12386	5.3
255.06645	1.8
259.19016	1.2
270.08911	1.4
271.04617	6.5
271.09717	1.0
273.09760	0.8
285.13409	1.4
301.10678	1.7
313.05771	4.0
325.10770	2.1
325.14972	0.8
333.26407	2.0
343.11749	1.6
345.15430	1.3
363.20111	0.9
373.12854	2.5
403.20026	5.5
405.17563	2.3
406.17535	0.9
411.63348	0.8
438.15582	0.9
448.15253	0.7
493.21112	3.7
494.20566	1.2
495.18851	7.9
495.31625	13.1
496.19998	1.4
496.32159	2.4
511.21802	12.3
512.21936	2.7
519.18701	11.6
520.18854	1.8
525.21185	1.1
537.19299	4.1
538.19720	1.0
555.20862	100.0
556.21326	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	554.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22290	0.7
59.01379	30.8
60.01696	1.9
61.98828	33.3
71.66150	0.9
78.95908	6.2
79.95717	0.9
80.96511	1.3
92.90691	0.6
96.96019	3.6
133.23006	0.6
145.15033	0.7
152.99556	1.5
168.04367	1.5
182.02403	0.6
209.11821	6.1
210.12183	4.8
242.07997	2.4
279.23279	100.0
280.23596	13.2
333.74832	0.6
352.43289	0.6
504.30905	42.6
505.31155	7.3
554.31750	2.1
555.33734	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	554.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72353	0.1
59.01378	24.5
61.98835	2.7
71.01375	0.2
78.95908	17.9
96.97003	0.4
98.19814	0.3
104.97518	0.2
122.98550	0.3
141.49344	0.2
152.99590	3.0
168.04337	2.8
168.05682	0.2
194.05916	0.3
201.31819	0.1
212.49574	0.2
224.06940	7.9
225.07213	0.4
242.07988	1.9
255.23285	100.0
256.23633	9.8
460.01376	0.2
480.30927	66.0
481.31262	10.2
495.27237	0.2
554.34479	0.3
555.34131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
57.03445	2.5
58.00601	0.8
58.17286	0.8
59.01379	37.8
60.81439	0.6
60.99304	0.9
61.01863	0.8
61.98832	55.1
65.00328	0.7
68.56827	0.6
69.03470	3.3
71.01384	20.5
71.70012	1.1
72.99325	1.6
73.02950	8.4
75.00876	0.9
78.62479	0.6
81.03477	1.9
83.01395	9.8
83.05031	2.0
85.02970	7.8
87.00885	1.9
87.04523	1.0
88.98811	3.5
89.02453	9.0
93.03471	2.1
95.00880	0.7
95.01380	3.7
95.05046	1.3
96.96007	1.0
97.02971	5.4
99.00864	1.7
99.04528	1.8
101.02463	13.5
107.01397	3.6
107.05037	1.3
108.02188	4.8
109.02968	7.8
109.06564	1.0
113.02462	8.4
113.80688	0.6
116.92879	1.5
117.92929	0.9
118.92650	1.0
119.03531	2.9
119.05087	0.8
121.02966	3.2
122.02480	0.8
122.03752	10.8
123.00896	10.9
123.04542	32.9
123.08186	0.7
124.01683	21.8
124.65115	0.7
125.02464	66.8
126.02808	2.4
127.04028	0.8
134.03764	1.0
134.10608	0.6
135.04553	2.8
135.08240	1.5
136.01651	1.5
137.02480	7.6
137.06107	1.6
137.09755	2.1
139.00397	1.8
139.04027	2.1
139.11322	6.6
143.10786	1.0
145.02939	1.1
146.03754	1.5
147.04480	0.7
149.02457	2.5
149.05902	0.7
149.99605	26.9
150.03232	4.0
151.00407	4.7
151.04015	2.9
151.07651	0.8
151.94528	0.7
152.01176	1.6
153.01947	1.9
153.09218	1.7
154.02634	0.8
157.72038	0.8
159.03160	0.8
161.02495	1.4
161.04582	4.8
161.05965	1.1
161.09723	0.8
163.04002	3.2
163.07616	0.7
163.11403	0.9
164.04814	2.4
165.01805	0.7
165.05591	6.3
165.09189	1.2
166.06345	1.2
167.03511	7.8
167.10851	0.6
168.00661	62.5
169.01434	21.0
169.12361	0.8
173.11879	1.1
177.05531	0.9
179.03542	3.2
179.05602	2.0
179.07045	4.1
179.10715	1.3
181.05125	1.0
181.08694	1.5
181.12367	2.9
182.01891	0.6
182.05804	0.9
183.02985	1.9
183.10301	10.3
184.10645	0.8
195.06595	1.8
196.07280	0.7
197.11761	3.3
201.14990	1.2
211.02492	1.4
223.09711	1.2
225.11305	4.3
225.14746	0.8
227.12970	2.0
241.04994	1.2
241.10851	2.4
242.05742	0.7
243.12303	2.8
246.73140	0.8
259.19257	4.2
271.04599	1.6
283.11948	1.6
313.05688	4.5
331.06671	2.0
331.25073	2.1
333.26480	16.0
334.26770	1.8
342.11041	8.5
343.14413	1.4
357.13419	42.1
358.13748	5.5
387.16730	1.7
403.16058	5.6
493.13843	3.4
495.15271	2.1
495.31723	36.8
496.31995	5.4
511.22205	14.5
512.22076	2.7
519.18738	3.6
520.19568	0.8
525.20563	2.7
537.20563	0.8
552.46973	0.8
555.16693	100.0
556.16962	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	554.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29241	0.1
55.01876	0.2
57.03460	0.2
58.00595	0.2
58.35987	0.2
59.01379	3.3
61.98833	100.0
69.51041	1.4
69.51399	0.2
71.01386	1.9
72.99310	0.2
73.02969	0.7
75.00877	0.3
83.01399	1.2
85.02953	0.7
87.00893	0.1
88.98825	0.2
89.02452	2.1
92.09430	0.1
95.01429	0.2
97.02959	0.1
98.19907	0.3
99.00898	0.2
101.02463	1.4
108.02209	0.5
109.02992	0.2
113.02438	0.7
119.03535	0.5
121.03006	0.4
122.03792	0.4
123.00896	0.3
123.04529	0.8
124.01658	0.3
125.02481	1.4
131.03546	0.3
136.01703	0.1
137.02480	0.3
137.06120	0.2
139.00491	0.2
139.11316	0.2
145.02959	0.1
149.02486	0.3
149.04637	0.3
150.03267	0.2
151.00543	0.2
151.04057	0.1
152.01184	1.0
152.07182	0.1
153.02046	0.1
153.05608	0.1
161.04634	0.4
163.04053	0.3
165.05592	0.4
166.06300	0.6
167.03529	1.7
168.00722	0.3
169.01425	0.7
174.03374	0.2
179.05626	0.6
181.05104	1.6
181.08812	0.4
182.05417	0.7
183.10315	0.2
195.06686	0.2
196.07454	1.5
197.07790	0.9
211.09778	1.6
212.10110	1.1
225.11366	0.3
241.74696	0.1
243.12500	0.2
298.08578	0.3
313.10776	0.2
333.26624	0.5
342.11176	0.4
343.12036	0.6
344.14505	0.1
357.13455	4.0
373.15054	0.7
374.15463	1.3
387.16833	0.2
440.36734	0.2
491.21512	0.1
495.20547	0.2
495.31808	1.8
507.19473	0.2
519.18634	0.3
524.20300	0.5
525.21161	1.0
529.44659	0.2
537.20361	0.2
554.23352	1.3
554.32068	0.2
555.22211	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35607	0.2
56.83118	0.2
59.01382	3.6
60.01713	0.2
60.99305	0.3
61.98833	100.0
66.90190	0.2
69.73416	1.3
71.01385	1.7
72.99314	0.4
73.02961	0.6
85.02998	0.4
87.00909	0.4
88.98835	1.3
89.02455	1.7
89.99187	0.2
95.01414	0.3
98.20586	0.3
101.02458	1.3
107.01424	0.3
111.00916	0.3
113.02461	0.4
114.08159	0.2
119.03542	0.4
121.02994	0.3
122.02532	0.2
123.00924	0.6
125.02451	1.5
132.54968	0.2
137.02466	0.4
139.11337	0.3
140.01178	0.2
140.11671	0.2
140.71181	0.2
147.04504	0.2
149.02533	0.3
150.03258	0.7
151.00465	0.3
151.04073	0.4
161.02435	0.2
162.03310	0.2
163.04025	0.2
165.05591	0.4
165.07729	0.3
167.03490	0.2
168.00731	0.3
169.01436	1.8
176.04787	0.2
180.04308	0.2
181.05136	0.2
184.10579	0.3
189.01950	0.2
195.06700	0.5
211.02567	0.6
225.11430	0.2
253.12987	0.2
271.04706	0.4
313.05478	0.3
321.08734	0.2
344.12460	0.2
374.17053	0.2
388.85092	0.2
507.20285	0.5
554.26379	2.4
554.33661	0.4
555.20776	2.3
555.34436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35607	0.2
56.83118	0.2
59.01382	3.6
60.01713	0.2
60.99305	0.3
61.98833	100.0
66.90190	0.2
69.73416	1.3
71.01385	1.7
72.99314	0.4
73.02961	0.6
85.02998	0.4
87.00909	0.4
88.98835	1.3
89.02455	1.7
89.99187	0.2
95.01414	0.3
98.20586	0.3
101.02458	1.3
107.01424	0.3
111.00916	0.3
113.02461	0.4
114.08159	0.2
119.03542	0.4
121.02994	0.3
122.02532	0.2
123.00924	0.6
125.02451	1.5
132.54968	0.2
137.02466	0.4
139.11337	0.3
140.01178	0.2
140.11671	0.2
140.71181	0.2
147.04504	0.2
149.02533	0.3
150.03258	0.7
151.00465	0.3
151.04073	0.4
161.02435	0.2
162.03310	0.2
163.04025	0.2
165.05591	0.4
165.07729	0.3
167.03490	0.2
168.00731	0.3
169.01436	1.8
176.04787	0.2
180.04308	0.2
181.05136	0.2
184.10579	0.3
189.01950	0.2
195.06700	0.5
211.02567	0.6
225.11430	0.2
253.12987	0.2
271.04706	0.4
313.05478	0.3
321.08734	0.2
344.12460	0.2
374.17053	0.2
388.85092	0.2
507.20285	0.5
554.26379	2.4
554.33661	0.4
555.20776	2.3
555.34436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33549	0.5
55.01873	0.8
56.44154	0.5
57.03446	1.2
58.00593	1.8
59.01378	30.8
61.98831	15.5
63.96234	0.8
67.01887	1.1
68.99832	1.1
69.03445	0.8
71.01387	25.9
71.69291	0.8
72.01698	0.8
72.99306	2.8
73.02956	7.4
74.49752	0.5
74.99095	1.1
79.01894	0.6
81.03472	0.6
83.01395	1.9
85.02958	5.6
87.00880	2.3
88.98812	2.1
89.02454	30.6
89.03992	1.0
93.03456	1.7
95.01388	3.0
96.96027	3.6
97.02962	1.2
99.00914	1.1
99.04521	0.5
101.02460	8.6
105.01933	0.7
105.03474	1.6
107.01411	4.4
107.05058	1.4
109.02977	1.2
111.00898	3.2
111.04506	0.6
113.02468	7.0
116.92884	3.0
117.97318	2.4
119.03507	2.8
120.01245	1.3
120.99632	0.9
121.02957	3.5
122.03724	1.5
122.06081	0.6
123.00897	13.6
123.04538	2.8
124.01661	2.1
125.02465	29.2
125.09750	0.9
126.02796	1.3
127.00356	0.6
131.03526	5.7
133.02971	7.4
134.03816	0.7
135.04527	1.7
135.98367	0.7
136.01671	0.6
136.98900	1.3
137.02466	2.0
138.03181	0.8
139.00380	3.8
140.01189	3.0
141.01942	1.6
143.03574	0.8
145.02936	1.3
146.03766	2.3
147.04578	0.8
148.01668	3.7
149.02480	9.4
149.04546	8.2
150.03259	3.9
151.00395	8.2
151.04002	6.2
152.01144	1.1
153.01991	0.8
153.05640	0.9
161.02475	3.2
161.04587	1.3
162.03250	10.8
163.04018	2.4
163.06129	1.2
164.04816	13.8
165.01962	2.7
165.05598	6.4
166.02684	1.2
166.06310	0.8
166.99869	1.2
167.03506	2.4
167.07153	9.1
168.00645	4.7
169.01442	44.5
169.08774	0.7
170.01752	1.7
176.01173	4.5
176.04819	0.8
177.01942	100.0
177.05452	7.7
178.02319	4.7
179.03549	1.7
179.05675	1.0
179.07141	19.1
180.04265	1.1
181.05112	1.3
182.05679	0.9
189.05588	0.6
190.02727	0.8
191.03346	0.6
191.05606	0.9
191.07137	0.8
193.01424	0.7
193.05066	2.7
194.05862	1.2
195.03006	0.7
195.06628	5.2
197.04572	2.2
199.13445	1.1
201.02083	0.6
205.05066	0.9
209.04547	1.5
209.08173	5.7
211.02484	6.6
212.02806	0.8
219.03011	0.8
221.08209	0.9
227.09216	2.3
229.01410	0.7
241.03459	1.4
243.12378	5.9
249.03989	0.7
261.13361	0.9
271.04544	5.4
272.04694	0.7
272.57935	0.6
275.01874	1.3
287.09192	3.6
288.09610	3.3
298.03604	0.9
299.04141	0.8
300.99939	3.3
313.00070	0.7
313.05685	14.5
313.09229	1.1
314.06000	1.3
314.11212	0.7
327.10861	0.6
331.06616	1.5
339.07220	11.0
340.99414	0.7
345.13394	3.3
357.11597	2.8
375.14346	1.2
387.14117	0.6
393.11505	1.3
393.17383	4.4
403.12317	2.0
405.17767	0.6
491.08267	68.6
492.08688	10.1
494.22900	0.7
495.24570	1.0
507.18799	0.7
517.23016	1.4
518.23022	1.2
524.18420	2.8
525.20020	1.0
537.07068	0.7
537.19714	1.0
553.19958	2.5
553.32037	2.3
554.20319	14.2
554.32837	1.0
555.13586	7.1
555.21002	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71778	0.5
55.01876	1.0
57.03440	1.8
58.00592	1.0
59.01378	73.7
60.01715	0.6
60.99314	1.1
61.98833	1.8
69.03473	0.6
71.01386	23.0
71.73255	0.8
72.01749	0.5
72.99315	1.4
73.02951	6.5
83.01405	3.2
84.10402	0.5
85.02956	7.6
85.26466	0.5
87.00863	2.9
87.04546	0.6
88.98830	4.8
89.02450	16.2
89.02982	0.9
93.03478	1.5
95.01410	2.0
96.96021	1.0
97.02974	1.0
99.00914	1.5
99.04543	1.7
99.18082	0.5
101.01786	0.8
101.02451	15.9
103.04008	1.1
107.01409	0.6
109.02986	1.0
109.06627	0.6
111.00890	0.8
113.02467	7.9
116.92896	1.4
117.97343	1.1
119.03513	5.4
120.99694	0.6
121.05093	9.9
123.00928	1.0
124.01676	0.7
125.02441	4.1
131.03528	0.6
135.04546	1.5
137.02496	1.7
139.00386	0.9
139.11319	1.4
143.03511	1.4
145.05075	1.0
151.00430	1.4
151.04039	0.9
159.03058	0.8
161.04591	3.8
161.05812	0.7
163.04033	0.5
163.06105	1.0
165.05597	0.7
165.12868	1.1
167.03568	0.9
168.00618	0.6
169.01460	3.6
179.04021	0.5
179.05684	2.4
180.07867	2.5
181.12398	1.3
183.10281	2.9
187.06099	0.6
189.12921	0.8
192.07877	0.6
194.05917	0.7
195.06660	0.9
202.56885	0.5
207.14001	1.2
209.11810	6.0
211.02519	1.8
212.06958	0.6
225.11359	0.8
225.14917	3.9
227.12894	20.0
228.13295	1.7
243.12411	0.8
249.06113	0.7
251.12959	0.8
260.94476	0.5
262.41858	0.5
265.09271	4.8
269.13931	1.6
271.04578	3.1
283.10309	8.2
284.10593	0.5
287.15097	1.3
298.03662	0.7
309.11725	0.6
325.11270	3.7
331.06888	0.7
343.11679	0.8
357.13181	0.6
358.13919	0.8
361.16757	0.7
391.17642	8.4
392.18204	0.9
493.22845	0.8
528.18744	0.6
535.24194	5.0
536.24066	0.6
553.25031	100.0
554.25537	18.4
554.33783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43970	0.7
57.03434	1.4
59.01381	16.8
60.99279	0.7
61.98833	62.5
66.44720	0.6
68.99812	0.7
71.01386	12.2
71.75741	0.9
72.99318	1.5
73.02945	2.1
75.00869	2.8
81.54928	0.6
83.01381	1.0
85.02953	12.3
87.00888	2.9
87.45241	0.6
88.70815	0.6
88.98819	5.4
89.02450	6.4
95.01421	3.2
96.96041	0.6
99.00892	3.8
101.02452	4.4
103.00394	2.2
107.01399	1.3
108.02139	0.8
109.02953	2.2
113.02472	15.2
115.00376	1.7
117.01951	1.3
119.03521	1.1
119.05003	0.7
121.02917	1.3
122.03729	1.4
123.00886	1.7
123.04527	1.8
124.01688	1.1
125.02476	4.6
129.01923	1.0
129.17441	0.6
133.02875	0.9
135.04558	1.4
137.02484	1.6
146.03514	0.7
148.01703	0.7
149.02461	3.4
149.04509	0.8
150.03247	14.9
151.00429	3.7
151.04079	3.3
152.01175	0.6
161.04503	0.6
163.00365	1.0
163.04008	1.4
164.01099	0.9
164.04756	0.8
165.01945	2.8
165.05591	13.7
166.02365	0.7
169.01425	5.1
175.02509	5.5
177.01959	1.0
178.02736	0.8
179.03546	1.6
179.07100	0.8
180.04318	2.4
181.05045	2.7
193.05054	0.8
195.06645	10.6
209.11807	2.6
211.02487	0.8
216.04272	0.8
225.07526	1.4
227.03477	1.1
227.12903	1.1
241.05005	0.8
243.02887	6.2
244.03677	1.5
253.09383	0.7
254.02185	1.6
255.02989	10.1
256.03503	1.5
259.06134	0.9
271.02426	22.4
271.05276	1.1
272.03058	5.5
287.05612	1.0
297.07953	0.9
300.02774	40.7
301.03064	2.1
313.05728	0.9
315.05112	100.0
316.05438	8.3
343.13995	0.9
344.12900	2.2
349.28931	0.8
357.11899	3.8
359.15030	6.4
421.18729	1.6
422.18994	2.3
461.15976	1.4
491.08310	20.4
491.15070	0.7
492.08612	2.5
505.20847	1.3
506.21002	1.9
507.20255	14.8
553.23730	0.9
553.32086	5.6
554.23138	2.3
554.32251	2.1
555.16302	1.2
555.23267	3.5
555.34491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03451	1.3
59.01381	74.8
60.01731	0.9
69.03475	0.5
70.20290	0.8
70.20705	1.4
71.01386	19.0
71.87183	0.5
72.17333	0.4
72.99326	0.7
73.02953	5.6
75.00897	0.5
77.95728	0.4
78.16996	0.4
79.20571	0.4
83.01399	3.6
85.02953	4.8
87.00903	1.2
89.02454	11.4
91.84561	0.4
95.01406	1.3
95.05036	0.5
97.03004	0.9
99.00910	1.3
99.04531	1.9
101.02459	13.3
103.04018	0.5
111.32458	0.4
112.65166	0.6
113.02473	5.7
119.03529	5.2
121.05085	9.2
125.02471	1.4
129.54280	0.4
131.03532	0.5
133.68948	0.5
139.11328	0.5
140.37459	0.5
143.03531	1.2
145.05074	0.6
153.23970	0.4
158.17668	0.4
161.00801	0.4
161.04564	3.9
163.06038	0.7
165.12863	1.2
169.01443	0.8
179.05629	1.2
187.06114	1.1
189.12939	0.7
207.13913	1.3
209.11864	3.7
225.14957	4.0
227.12901	22.2
228.13277	2.4
265.09259	4.9
269.13980	1.8
283.10370	6.4
287.15060	1.5
325.11557	2.1
535.24023	4.8
536.24689	0.7
553.24951	100.0
554.25482	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	553.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12493	0.7
55.01868	1.0
57.03442	3.1
58.00577	1.1
59.01382	37.7
60.01727	1.4
61.98835	21.6
65.53149	0.8
67.01902	1.3
69.03460	0.9
71.00993	1.3
71.01388	22.1
71.67741	1.0
71.68115	0.7
72.01721	0.8
72.99318	2.8
73.02948	5.2
74.06169	0.7
75.00855	1.3
83.01391	2.8
83.05007	0.9
85.02965	8.8
87.00880	2.1
87.04517	1.1
87.87105	0.8
88.98812	3.2
89.02460	14.7
93.03470	1.8
95.01405	1.2
95.05079	0.7
99.00897	2.1
101.02449	8.8
107.01398	2.4
108.02196	1.6
109.02985	6.3
111.00884	2.0
113.02473	5.9
114.02735	0.7
116.92900	0.9
119.03507	3.2
121.02980	13.9
122.03773	10.9
123.00905	9.6
123.04558	5.5
123.08143	1.2
124.01679	3.3
125.02475	15.0
131.03505	1.4
135.04573	4.6
136.01672	1.7
136.05336	1.8
136.98993	0.9
137.02481	5.0
139.00374	2.5
139.04036	1.1
140.01135	1.9
141.01930	1.2
141.09258	1.9
147.04597	6.5
149.02454	3.5
149.04581	1.9
149.05968	1.2
149.99620	0.8
150.03242	4.7
151.00400	4.8
151.04012	3.0
152.01086	0.9
153.01968	1.9
154.02744	1.2
160.05319	1.3
161.04730	1.5
161.06107	4.5
162.06880	2.1
163.04021	2.9
163.07565	1.0
164.04839	1.9
165.05595	24.2
166.02669	0.8
166.06081	0.7
167.03503	4.2
167.05406	1.2
168.00705	4.9
169.01442	20.4
173.06065	1.0
175.03909	1.2
175.07654	1.6
176.04675	1.2
177.05586	1.6
179.03537	0.8
179.05669	1.5
179.07172	6.3
180.07626	0.8
181.01390	1.2
181.05109	1.4
183.10214	0.7
189.09174	0.9
190.06342	0.9
191.07106	2.2
193.05066	1.5
195.06607	3.1
199.13412	5.7
209.04610	1.6
209.08199	1.6
210.08516	0.9
211.02513	5.8
211.06067	0.7
223.09659	0.9
227.12903	1.6
228.12932	0.8
239.12903	0.8
243.16080	2.5
271.04617	5.6
297.06116	1.0
298.12228	3.4
299.12558	1.3
303.21622	1.3
313.05655	2.9
313.14447	7.8
314.92966	0.7
315.12369	1.2
316.13281	0.9
327.12512	2.6
328.12973	1.8
329.13928	1.1
330.11249	1.1
331.15601	1.7
331.24866	1.8
341.10815	1.4
343.15540	7.5
345.13489	2.6
346.14169	9.7
347.14832	0.8
357.13300	2.3
361.16556	76.5
362.16943	8.2
399.82388	0.8
403.16711	3.2
455.15549	8.5
493.20779	100.0
494.21075	15.9
505.18518	5.0
506.19159	1.2
523.19720	5.7
524.20520	1.3
535.18292	1.6
553.19470	47.0
553.31854	15.4
554.19244	8.1
554.32697	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	553.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10487	0.2
55.01895	0.2
57.03463	0.3
58.00623	0.6
59.01094	0.3
59.01382	9.4
60.01743	0.2
60.99301	0.8
61.54393	0.2
61.98830	3.1
71.01391	2.7
71.72176	0.3
72.99355	0.7
73.02949	0.9
75.00921	0.4
82.48484	0.2
85.02960	1.6
87.00883	1.8
88.98817	5.8
89.02451	2.0
97.03040	0.2
99.00908	0.2
101.02454	1.8
103.04014	1.0
107.05055	0.3
108.02220	0.3
109.03022	0.5
114.46741	0.2
119.03572	0.4
119.05080	0.5
121.06681	0.2
123.00905	0.2
123.04566	0.2
124.01733	0.2
125.02449	0.9
127.04026	0.2
129.01997	0.2
135.04578	0.6
137.02449	2.5
138.03250	6.3
139.03694	0.3
140.01198	0.3
145.05150	0.2
147.04562	1.2
147.25291	0.2
149.02516	0.2
150.03282	0.5
151.04024	14.7
152.04430	0.7
153.01941	0.2
161.02493	0.6
161.04544	0.2
163.04094	0.5
164.04811	6.9
165.05583	3.2
167.03534	0.2
169.01503	0.4
170.02188	0.9
179.03488	1.0
179.07156	0.5
180.04382	0.6
181.05080	0.3
182.05853	5.4
182.07413	0.3
183.06622	9.7
183.13983	0.4
184.06992	0.5
194.05826	0.9
195.06522	0.2
197.08209	3.8
198.08582	0.2
209.08229	1.9
211.06125	10.5
212.06512	0.6
213.15021	0.2
224.07030	0.3
225.07681	1.9
227.12880	0.2
227.96133	0.2
239.05669	0.2
246.43297	0.2
273.20615	0.4
283.04840	0.2
328.11630	27.1
329.11935	2.2
343.13974	100.0
344.14316	9.9
361.22284	0.7
463.21603	0.8
493.26483	0.3
553.22693	6.2
554.22858	1.1
582.52972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03434	2.1
58.00578	1.3
58.02051	0.7
59.01382	34.4
60.99286	0.7
61.01817	1.0
61.98833	15.3
66.90678	0.6
68.99797	0.7
69.03455	1.6
69.50438	6.3
71.01388	20.3
72.99301	2.0
73.02947	6.3
75.00868	0.7
81.03439	0.6
83.01382	1.8
85.02962	7.2
87.00900	3.1
88.98837	3.1
89.02457	12.9
93.03455	1.4
95.01356	0.8
101.02454	4.7
107.05035	0.7
109.02975	3.6
111.00892	0.9
113.02451	1.4
119.01392	3.1
119.03453	0.9
119.05005	0.7
121.02942	1.6
123.00899	1.1
123.04456	0.7
124.01701	3.7
125.02479	6.6
131.03505	1.4
135.04526	1.7
136.01712	1.7
137.01419	1.3
137.02467	25.6
137.06013	0.8
138.03258	6.3
139.04074	5.7
140.01167	0.8
145.02950	2.1
147.00896	8.1
148.01715	6.7
149.02374	0.8
149.04541	0.7
150.03253	1.4
151.00415	0.9
151.02823	0.9
151.04022	10.2
152.04820	5.8
153.05580	2.6
159.04416	1.0
161.04506	0.7
162.03238	5.3
163.04033	21.3
164.01175	2.0
164.04805	3.3
165.01942	26.5
165.05569	2.4
166.02356	1.0
166.06406	5.0
167.07091	2.4
169.01465	3.8
175.03995	3.1
176.04796	3.8
177.02046	0.8
177.05595	10.6
178.06233	0.8
179.03511	15.4
179.07172	1.9
180.04292	26.2
181.05092	15.6
181.08684	4.7
184.03764	1.9
188.04669	0.8
189.05579	2.3
190.06386	1.4
191.07147	3.9
192.04279	0.7
192.07898	2.9
193.05092	1.2
193.08603	0.8
194.05843	8.5
195.06638	38.7
196.06981	1.6
198.05296	0.7
202.32759	0.7
204.07948	0.7
205.05167	0.9
205.08652	0.8
206.05762	1.3
206.09491	1.1
207.06563	3.5
208.07481	0.8
209.08221	3.4
210.05334	2.5
220.07513	0.8
221.08098	2.3
225.07707	8.0
227.12755	0.7
237.07568	0.8
271.04532	0.7
298.08215	0.8
300.09879	0.7
312.12320	0.6
327.14563	12.1
328.14795	1.0
329.10434	1.7
330.11407	0.9
343.11981	2.6
344.12485	2.5
345.13351	2.2
357.13394	0.9
358.14383	4.2
359.15125	3.7
361.12967	3.8
373.12842	2.8
373.16931	3.3
375.14511	2.2
376.14960	0.8
388.15302	5.9
391.13907	8.6
391.26822	0.7
392.14166	0.8
403.17633	9.8
404.18213	1.1
406.16345	16.8
407.16943	2.9
421.18692	77.9
422.19077	9.9
447.16534	1.0
475.16183	1.1
490.17947	1.9
505.20798	57.7
506.21182	7.6
538.20612	2.2
553.22784	100.0
554.23352	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	553.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
57.42822	0.6
58.00576	1.3
58.17629	0.6
59.01382	20.8
60.99295	1.1
61.98832	22.1
65.03954	1.0
67.01897	1.2
69.03451	2.3
70.53812	2.3
71.01378	11.0
72.01752	1.0
72.16824	0.6
72.99303	1.9
73.02943	6.6
75.00867	1.2
81.03522	0.6
83.01412	1.2
85.02964	6.1
87.00880	2.3
87.04555	1.0
88.98816	7.7
89.02448	3.5
91.01905	10.2
92.02241	3.5
93.03471	2.8
95.01374	1.1
95.05045	1.0
99.00871	1.3
101.02458	4.1
101.18957	0.7
103.04025	0.7
105.03465	1.1
106.54430	0.6
107.01402	0.7
108.02192	2.0
109.02964	15.0
110.03308	4.7
111.03441	1.6
113.02480	1.9
119.03516	1.0
120.00114	0.7
121.02982	4.4
122.03764	11.2
123.00922	1.0
123.04524	2.8
124.01662	1.3
125.02466	3.1
132.02202	0.9
133.02983	12.6
134.03777	5.6
135.00916	19.3
135.04480	0.8
136.01187	7.6
137.01402	4.0
137.02475	5.0
145.02991	0.7
147.04575	1.8
148.01686	0.9
149.02461	44.0
149.06110	5.8
149.07245	0.9
150.03247	79.1
151.00313	0.9
151.03644	3.7
152.01147	2.1
153.01955	13.2
154.02327	5.3
155.02396	3.1
161.04521	1.4
162.03294	1.3
163.04063	2.6
164.04793	12.9
165.05589	73.9
166.05943	4.1
167.03503	4.2
168.00645	1.5
169.01443	2.4
177.05627	1.6
179.03583	1.2
180.04324	4.8
181.05083	2.9
182.05809	1.0
195.06639	36.0
196.07304	4.6
197.08212	3.4
210.05241	1.2
211.02510	1.2
211.09763	5.3
225.07602	2.1
227.12849	0.8
249.09799	1.7
267.10825	1.6
271.04492	1.9
297.06244	1.1
298.06482	0.7
301.03452	0.8
311.09161	0.8
315.07214	1.1
316.07559	1.1
317.07837	1.6
328.11575	0.9
342.13254	4.9
343.13800	1.6
344.12729	3.2
345.13455	1.6
357.11087	1.7
357.15558	33.9
358.15884	3.0
359.14972	6.7
361.22375	1.0
443.11810	1.9
444.12149	6.9
445.12436	19.8
446.12549	1.6
463.08981	0.8
463.21829	1.8
493.29984	1.4
505.20792	100.0
506.21094	15.4
517.22791	1.0
523.20471	0.9
553.22522	11.0
553.31927	3.1
554.22504	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	553.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20150	0.3
57.03441	0.3
59.01377	6.9
59.19681	0.3
61.98799	0.3
67.01881	0.8
69.03454	0.6
70.18491	1.1
71.01025	0.4
71.01385	4.4
72.99300	0.5
73.02956	0.6
79.01883	0.5
81.03445	0.3
83.01387	0.7
85.02961	1.8
87.00900	0.5
89.02457	2.8
95.01403	1.5
97.02952	0.6
99.00900	0.3
99.51518	0.2
101.02466	2.4
107.01400	5.1
109.02972	0.6
111.00887	2.0
113.02431	1.4
117.97292	0.5
118.02545	0.3
119.03499	0.8
123.00899	13.6
123.04492	0.5
124.01776	1.3
125.02459	20.0
126.02776	0.9
127.00347	0.7
135.04582	0.3
136.05287	0.5
136.98785	1.2
137.02438	0.6
139.00398	3.2
139.04001	0.4
140.01196	2.4
141.01968	2.0
149.02534	0.3
151.00380	8.6
151.04010	0.5
152.00810	0.4
153.01923	0.7
161.09712	0.6
163.04018	0.4
165.01846	0.5
165.05617	0.4
165.09146	0.4
167.03571	0.5
168.00662	4.5
169.01439	30.5
170.01779	1.0
177.37140	0.3
178.10030	0.3
179.03528	0.5
179.10672	0.4
181.05026	0.6
196.07364	0.3
206.09467	0.6
209.04616	0.4
211.02489	10.6
212.02759	0.7
241.03519	0.4
253.03487	0.6
267.58368	0.3
271.04581	12.2
272.04968	0.9
313.05627	2.8
314.05768	0.3
331.06693	0.6
333.27515	0.3
373.07773	1.0
373.12680	0.3
390.13037	0.4
391.13068	0.7
399.09009	0.4
401.18170	0.4
479.12271	0.3
535.18286	0.5
553.19159	100.0
554.19647	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	553.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69606	0.5
55.01875	0.6
57.03434	2.4
58.00576	0.5
59.01379	16.8
61.48330	0.5
61.98834	3.9
67.01871	1.3
69.03445	1.2
70.88660	2.1
71.01382	11.3
72.99298	1.4
73.02931	2.5
74.99070	0.6
75.00861	1.2
79.01885	0.9
81.03456	0.8
83.01364	1.6
85.02950	4.3
87.00850	2.1
89.02458	7.5
93.03483	2.9
95.01376	2.4
97.02899	1.2
99.00845	0.9
99.04477	0.7
101.02464	5.1
101.06084	0.5
107.01405	7.6
109.02966	0.9
110.00047	0.6
111.00883	4.3
113.02442	3.4
117.97261	0.5
119.03494	1.8
120.99670	1.0
121.03001	3.3
123.00898	15.0
123.04562	0.8
123.08147	1.1
124.01633	2.3
125.02463	36.5
126.02757	1.3
127.00373	1.2
135.04501	0.8
136.98808	2.1
137.02443	4.2
139.00385	5.6
139.03915	0.9
139.11266	2.3
140.01186	5.2
140.11604	0.8
141.01886	1.9
143.03424	0.7
145.02939	0.9
147.04530	0.6
149.02478	0.6
150.03192	1.2
151.00392	8.5
151.03975	1.4
151.07642	1.5
153.01955	0.7
160.11906	0.5
161.04544	0.8
162.03191	1.6
163.03984	0.8
163.06119	0.9
163.07573	2.2
164.04655	0.6
165.01953	2.6
165.04086	0.6
165.05533	1.7
165.09192	1.0
166.02602	0.6
167.03465	1.9
168.00659	12.6
169.01443	60.1
169.12378	0.9
170.01724	2.5
177.04066	0.7
177.05559	1.4
177.09198	0.7
179.05569	0.8
179.10785	1.2
180.04295	0.6
181.05003	2.5
181.12360	0.9
183.10251	3.3
184.10527	0.6
195.06538	1.8
199.13390	0.7
203.10791	1.1
211.02483	42.6
212.02780	1.5
212.09052	0.6
221.11729	0.8
223.02449	0.7
225.07634	0.6
225.11290	1.9
241.03548	1.6
243.12279	1.1
271.04575	46.2
272.04883	2.9
297.06042	1.4
313.05649	9.8
314.06244	0.5
325.11349	0.6
329.11340	0.7
331.06729	5.4
361.18451	0.8
379.19522	0.8
391.17593	1.6
391.27026	1.2
436.22141	0.6
493.22556	1.1
535.18188	18.9
536.18732	3.2
553.18823	100.0
553.32507	3.8
554.19434	18.1
554.33026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36417	0.1
59.01384	0.6
61.27987	0.2
61.98831	100.0
62.83827	0.2
63.06842	0.2
74.36573	0.2
79.95741	0.3
80.96517	1.0
89.44852	0.2
96.96040	0.6
101.44726	0.2
107.22874	0.2
127.04060	0.2
133.95714	0.2
148.90022	0.2
152.98695	0.2
207.41379	0.2
294.63928	0.2
412.76926	0.2
426.59564	0.2
433.32571	0.2
471.34787	6.6
489.36551	0.2
553.27142	1.4
553.35339	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	553.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01382	16.1
61.98833	29.0
66.36827	0.4
67.01883	0.7
68.99812	0.5
69.03449	1.7
71.01389	6.8
71.67837	0.7
71.68211	0.5
72.99313	1.4
73.02951	3.0
75.00883	0.8
81.03458	1.9
83.01397	3.8
83.05040	0.9
85.02952	2.6
87.00901	0.9
88.54464	0.4
88.98805	1.2
89.02455	2.6
91.01864	0.5
93.03463	2.3
95.01399	8.7
95.05013	0.7
97.02970	1.7
99.00884	0.9
99.04510	0.6
101.02455	5.7
103.55700	0.3
105.03449	0.7
105.19621	0.4
107.01399	7.9
108.02207	2.4
108.08762	0.4
109.02964	3.9
110.03321	0.4
111.00880	1.2
111.04546	0.5
113.02461	2.6
116.92886	1.1
117.13004	0.4
119.03526	0.4
119.05014	0.6
120.01208	0.4
120.99624	0.6
121.02974	36.1
122.03293	0.6
123.00896	7.3
123.04536	1.9
124.01682	5.6
125.02468	16.0
126.02822	0.7
131.03549	1.9
133.02965	0.6
135.00922	1.0
135.04549	1.1
137.02463	4.9
139.00392	0.4
139.03951	0.7
139.11320	0.9
141.01965	1.3
143.03537	0.7
145.02917	1.2
147.04504	0.9
149.02467	2.1
149.04419	0.5
149.99600	40.9
151.00392	26.5
151.01338	0.3
151.03947	1.8
152.01096	2.2
153.01971	2.0
153.05594	0.7
155.10745	0.7
161.02464	1.5
161.04558	1.3
161.06058	0.4
163.00398	3.2
163.03983	1.3
165.01939	5.1
165.05566	1.7
166.02467	0.3
166.99843	0.7
167.03505	1.7
167.10791	0.6
168.00671	16.6
169.01445	15.9
170.01749	0.8
177.01952	1.2
178.99797	0.5
179.03510	1.6
180.04105	0.4
181.01352	0.7
181.12314	0.4
183.10284	1.2
187.13274	0.4
191.03535	1.1
191.05713	0.4
193.01442	5.8
195.06583	0.6
199.09647	0.5
200.01180	1.6
205.12100	0.4
209.08241	1.3
209.11746	0.5
211.02422	0.8
211.06029	0.5
213.15062	0.5
225.11343	0.5
225.14923	1.0
227.12897	3.5
235.30276	0.4
243.12422	1.8
259.06104	1.0
259.19083	0.7
269.13889	0.9
273.20752	1.1
285.13535	0.9
287.14987	1.6
287.22256	0.5
328.11731	0.5
343.14050	2.1
345.15515	0.8
353.23050	0.4
361.22287	4.0
405.17584	1.1
421.28116	1.2
427.08966	0.6
431.19156	2.4
445.09863	100.0
446.10202	12.8
455.16748	0.4
458.25064	0.4
490.23221	0.5
493.26617	1.4
493.33850	1.3
553.22119	9.9
554.23022	2.4
554.31079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.0
59.05964	0.8
61.98833	100.0
72.48372	0.8
96.96027	2.4
98.19852	2.8
211.13356	1.3
229.97105	1.2
233.51514	0.9
279.23434	1.3
287.82443	0.9
469.33200	36.0
470.27252	1.0
470.33142	5.5
488.34558	2.0
551.33612	25.9
552.33636	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	551.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01082	0.5
59.01379	12.3
61.98830	17.1
71.01382	2.6
73.02944	0.7
82.52892	0.2
85.02947	0.6
87.00911	0.4
89.02460	2.0
96.96042	0.6
98.20644	0.6
101.02432	2.4
107.84339	0.3
113.02453	0.9
119.03513	0.8
121.01231	0.2
128.22166	0.3
130.27327	0.3
143.03546	0.3
148.20171	0.3
161.04541	1.1
179.05708	0.5
235.08229	2.9
236.22565	0.3
253.09273	11.6
254.09613	0.5
255.23286	100.0
256.23624	9.7
469.33188	0.5
491.32651	0.6
492.33060	0.3
551.30695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93721	0.6
55.01880	0.9
57.03450	1.8
58.00609	0.6
59.01381	91.3
60.01713	0.9
61.98832	3.1
69.45766	2.8
69.46197	2.4
71.01382	16.5
71.05045	0.5
72.99325	0.7
73.02948	6.9
77.01247	0.4
83.01395	3.2
83.05032	0.5
84.58344	0.4
85.02961	6.6
87.00897	2.1
87.04504	1.3
89.02446	7.7
89.02894	0.6
95.01425	1.6
97.03003	0.6
97.06614	1.0
98.20619	1.1
99.00891	2.6
99.04541	2.2
101.02457	13.7
101.06114	0.9
113.02469	8.3
119.03505	2.6
119.07154	3.1
123.04549	0.6
125.02475	1.1
131.03525	0.6
143.03529	0.8
159.03036	0.7
161.02477	0.7
161.04599	4.6
161.08220	0.8
165.12889	1.0
166.05080	0.8
167.03537	1.0
170.91689	0.6
177.02089	0.7
179.05788	0.6
180.04332	0.7
183.10486	0.7
189.12718	0.6
207.13916	1.7
209.11807	4.2
211.97128	0.5
225.14941	5.6
227.12892	21.9
228.13205	0.8
243.12413	1.9
263.11292	3.0
269.13828	1.3
269.77798	0.9
279.06683	0.6
281.12430	7.5
287.14990	1.0
296.06912	0.7
297.07797	0.6
298.08273	0.6
310.08466	0.8
311.09195	1.5
313.10895	0.9
323.13388	2.3
331.21841	0.5
341.10303	1.2
344.12653	1.0
356.12729	1.1
357.13199	0.7
359.15033	1.0
371.15173	1.1
405.17804	0.6
491.15491	0.8
503.15652	2.6
506.17767	1.7
518.18024	2.0
521.20288	15.8
522.20483	1.9
533.19641	13.3
533.26312	3.7
534.20532	2.1
551.26959	100.0
552.27350	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	551.2626
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
59.01379	16.2
61.98505	2.1
61.98833	40.0
69.18879	0.8
69.20473	1.0
69.49326	9.2
71.01390	9.6
72.27296	0.9
72.99286	1.7
73.02939	2.1
79.01943	1.1
83.01389	2.1
85.02956	5.4
85.93081	1.0
88.98808	2.3
89.02444	2.7
95.01379	1.7
96.96079	1.2
98.20615	1.9
99.00859	1.1
101.02468	8.0
111.00877	1.5
112.72333	0.9
113.02448	3.4
116.69571	1.1
123.00912	5.4
125.02471	7.1
131.03529	3.0
139.00395	1.7
140.01144	1.8
151.00366	4.8
161.04558	3.2
168.00679	2.1
169.01416	6.9
197.15587	2.3
222.12910	1.1
223.30841	1.1
226.56451	1.0
235.87477	1.1
247.43379	1.0
299.99139	1.2
359.24030	2.1
419.30157	16.6
420.30511	1.7
491.27783	1.5
491.35895	2.9
535.21338	1.3
548.56775	1.2
551.08038	3.8
551.25659	100.0
551.33356	4.9
552.25934	19.0
552.33899	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
57.03457	2.0
58.00599	1.7
59.01382	100.0
60.01718	1.4
61.98835	8.2
66.09639	0.5
69.72969	3.9
71.01387	27.6
72.01744	0.8
72.99328	1.2
73.02959	6.6
75.00896	0.7
81.03477	0.7
83.01398	3.0
85.02962	7.5
87.00892	2.6
87.04534	1.3
88.98839	1.4
89.02458	24.5
90.47160	0.4
92.77433	0.4
95.01425	1.1
97.02959	0.8
99.00890	1.5
99.04548	2.1
101.02464	12.6
101.03080	1.0
102.02785	0.5
109.02949	0.5
109.06667	0.6
111.00918	0.6
113.02461	8.7
119.03510	2.7
119.07156	3.5
121.02957	0.8
123.00919	0.8
124.01618	0.6
125.02476	1.7
131.03554	2.6
131.07123	0.7
134.26288	0.6
137.02470	0.8
138.03267	1.1
139.04060	0.9
139.34410	0.5
143.03522	0.6
145.02979	0.6
149.04591	2.9
150.03293	0.6
151.00386	0.6
151.04037	2.1
152.04788	0.7
153.02046	0.5
153.05560	1.0
161.02478	0.7
161.04607	4.6
163.03998	0.5
165.12935	0.8
168.00630	1.2
169.01469	2.1
174.03268	0.7
175.04028	3.5
177.05556	0.7
179.05708	0.9
183.03001	0.8
187.04027	2.6
187.09756	1.0
188.04791	1.1
189.05649	1.0
189.12866	0.6
190.06432	1.1
191.07213	0.6
201.05447	0.6
202.06372	1.8
203.07176	1.6
205.05038	2.8
205.08705	0.8
207.13940	2.0
209.11836	4.6
211.02460	0.7
219.06671	1.2
220.07378	3.6
220.47229	0.6
225.04034	0.8
225.15039	4.2
227.12906	21.3
228.13214	1.7
235.09804	3.2
263.11380	2.8
269.13947	1.5
271.04691	0.9
276.27399	0.5
281.12476	5.4
282.12695	0.5
287.15076	1.4
313.10699	1.0
323.13483	1.2
325.10742	0.6
339.12527	0.9
341.10385	4.3
356.12698	2.2
368.35355	0.6
371.11118	0.9
371.15350	1.0
386.13596	1.0
389.15982	0.8
401.16055	31.4
402.16354	5.4
473.35663	0.7
511.18991	0.6
521.20178	4.8
533.18707	3.4
533.27234	4.3
551.27124	73.7
552.27576	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	551.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77031	0.3
55.01890	0.5
57.03450	2.0
58.00596	0.6
59.01380	23.3
60.01722	0.3
61.98830	1.0
69.03443	0.8
71.01385	10.4
71.05049	0.4
71.08210	0.7
71.08584	0.8
72.99313	0.7
73.02959	3.3
75.00857	0.4
83.01394	1.2
83.05042	0.6
85.02967	3.4
87.00906	1.9
87.04528	1.2
87.23288	0.4
89.02460	4.8
95.01431	0.6
97.02979	1.1
99.00906	1.1
99.04504	0.6
101.02461	5.5
108.02138	0.6
109.02959	1.9
109.06637	0.5
113.02467	3.6
119.03538	1.8
119.05028	1.1
121.02998	1.0
122.03784	1.4
123.00909	0.8
124.01716	0.6
125.02449	2.6
127.04002	0.6
131.05107	0.4
135.04520	0.9
135.08183	0.6
135.95523	0.4
137.02467	2.8
137.09773	1.5
139.07747	0.5
139.11314	23.7
140.11638	0.8
143.03525	1.7
145.05107	1.7
147.04495	0.5
149.06091	0.8
152.04765	0.8
154.73880	0.4
159.03076	0.4
159.04471	0.5
160.05324	1.2
161.04637	1.4
161.06068	0.7
161.09650	0.5
163.04036	1.6
163.06146	9.3
163.07501	0.9
163.11360	0.5
165.07735	0.7
165.09245	1.1
166.41473	0.4
169.01451	1.0
169.12413	1.1
175.07661	1.2
177.05560	0.5
179.05629	0.6
179.10851	1.5
181.08722	0.5
181.12383	6.4
183.10284	28.1
184.10640	1.1
184.22784	0.4
195.13829	0.8
197.11894	1.7
209.08241	2.7
225.11345	11.0
225.13490	0.7
226.11765	0.5
243.12354	4.5
271.04602	0.4
285.13486	0.8
289.74414	0.5
307.10278	0.9
315.12537	0.6
316.08804	0.4
325.11407	2.8
327.12921	0.4
329.10492	0.5
341.10315	0.6
345.13412	7.6
346.13821	0.8
359.15387	0.4
370.00555	0.4
371.11563	0.5
389.12393	1.1
389.16516	1.1
481.73804	0.5
491.21234	2.0
507.18817	0.7
533.22784	1.4
551.23602	100.0
552.16284	0.9
552.23969	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	551.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.0
58.00587	1.9
59.01381	41.8
61.98835	8.4
69.03470	1.3
71.01385	22.1
71.05030	1.7
72.99311	2.4
73.02953	4.8
74.99091	2.3
75.00873	2.8
76.58872	0.7
77.63144	0.7
83.01393	2.6
83.38273	0.8
85.02953	8.2
87.00881	9.8
87.04541	1.2
88.98838	1.0
89.02457	15.4
93.03473	1.4
95.01382	3.3
95.05016	0.9
96.96011	1.9
97.02950	2.0
97.06565	0.9
99.00894	2.6
99.92585	1.0
101.02454	14.7
102.98610	1.0
107.05051	1.1
108.02194	1.5
109.02927	2.0
109.06631	1.5
111.00895	2.0
111.10115	0.8
113.02461	6.6
116.92865	2.2
117.97263	1.1
119.03550	5.5
119.05041	3.0
120.99680	4.0
121.02984	1.8
123.00899	2.9
124.01708	0.9
125.02465	6.5
125.37309	0.8
125.77464	0.8
131.03508	1.1
135.04524	1.0
135.08128	1.2
135.11749	0.7
136.01683	2.1
137.02460	15.2
137.06073	1.0
137.09749	5.2
138.03215	1.6
139.00421	1.5
139.04024	1.7
139.07655	0.7
139.11301	16.8
139.12396	0.8
143.03506	3.1
145.05067	1.3
147.04510	1.3
149.02400	1.5
150.03189	1.6
151.00322	1.5
151.04057	5.6
151.11357	1.5
152.01175	1.3
152.04803	4.8
152.38683	0.9
153.05583	1.4
159.04518	2.3
160.05318	8.4
161.02467	1.3
161.04543	2.5
161.06046	2.4
161.09660	2.0
163.04036	4.3
163.06108	7.2
163.07556	2.0
164.04720	2.2
165.01935	1.3
165.07645	2.9
167.03496	1.7
168.00560	1.1
169.01454	5.2
169.12355	1.6
172.38901	0.9
175.07663	3.2
177.05608	4.2
178.06422	1.2
179.05602	3.1
179.10768	2.3
180.04169	0.8
181.08714	2.7
181.12344	4.4
183.10286	23.3
184.03743	1.6
184.10594	1.6
190.06290	1.3
197.11827	3.4
207.10310	1.0
223.09718	2.0
225.11304	10.9
227.12871	0.9
236.07039	0.8
243.12328	3.6
267.12140	1.4
275.02084	0.9
283.04858	1.5
283.10315	1.8
285.13586	1.1
298.03409	1.2
307.10428	2.2
315.12366	1.4
325.11340	9.9
327.12833	1.7
330.11172	2.7
341.10315	2.2
345.09164	1.7
345.13412	33.5
346.13745	3.7
356.08801	0.9
359.15030	1.4
367.27765	0.9
371.11444	4.9
372.11404	0.8
374.13535	2.0
389.11676	4.6
389.16043	3.0
401.16196	1.1
429.18051	1.0
489.19547	2.6
491.21143	4.4
492.21872	1.4
507.18777	4.5
508.19299	1.1
519.15466	1.0
533.22150	1.1
551.23767	100.0
551.30798	4.0
552.24213	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	551.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
58.00603	0.6
59.01379	20.9
60.01732	0.4
61.98833	11.5
69.03452	0.3
71.01385	8.2
71.01750	0.5
72.99319	1.3
73.02955	3.3
74.02462	0.3
75.00884	0.9
83.01404	1.0
85.02959	3.7
85.06557	0.3
87.00870	1.4
88.98833	0.3
89.02454	8.0
93.03488	0.4
95.01404	1.0
95.05063	0.3
96.01767	0.3
97.02923	0.4
97.06622	0.4
98.20746	0.6
99.00907	0.6
101.02460	6.8
103.04021	2.9
105.03465	1.4
108.02286	0.3
109.02975	0.7
111.00944	0.5
111.08201	0.4
113.02456	3.4
117.05582	0.6
119.03530	3.2
119.05048	2.9
121.02985	0.7
123.00940	1.2
123.04568	0.5
125.02470	2.0
127.04011	0.5
131.03531	2.7
133.02966	1.0
135.04536	0.8
135.06648	0.5
137.02449	1.3
138.03273	1.2
139.00453	0.4
143.03467	0.4
145.02969	0.8
145.05081	0.7
149.02469	6.3
149.04547	2.3
150.03218	1.1
151.00334	0.7
151.04030	6.9
152.01247	0.4
152.04723	0.5
153.01912	0.3
153.12860	3.3
155.10785	0.6
155.26801	0.4
161.02466	23.6
161.04601	1.0
162.03134	2.5
163.04062	4.3
163.06140	5.1
164.04822	9.2
165.05608	2.1
165.12865	4.0
169.01421	1.5
170.02013	0.3
176.04802	17.2
177.01993	0.7
177.05589	8.9
179.03516	34.4
179.07115	10.0
179.10751	0.8
180.03902	2.3
180.07436	0.6
182.05885	1.5
183.06625	1.4
183.13921	9.3
184.14186	0.5
188.55850	0.3
191.05598	1.3
191.07159	8.0
192.04286	0.7
192.07541	0.7
193.05029	0.6
194.05858	39.5
195.06201	2.6
197.08211	1.2
197.11830	5.9
197.15398	0.7
198.12270	0.4
199.09824	0.6
207.06664	0.7
207.13916	0.6
209.08200	100.0
209.15543	1.0
210.08536	6.4
211.06090	1.7
211.13506	1.8
217.14383	0.9
221.06697	0.4
225.07658	0.9
225.11267	0.5
225.14964	1.2
227.12900	10.5
228.13210	0.9
229.85051	0.3
232.63792	0.3
255.02959	0.5
267.10669	0.7
269.13986	1.7
279.10782	0.3
284.03281	0.8
299.14890	0.9
328.11685	3.0
329.12433	0.5
329.16025	2.7
341.12735	0.5
342.13190	2.0
343.13998	4.4
344.14282	0.5
359.20999	0.6
389.18173	5.9
390.18384	0.9
393.17639	0.4
419.26270	0.6
421.17218	0.5
461.20203	1.2
462.20251	0.3
488.21774	1.1
489.10355	0.6
491.29419	0.4
521.20264	0.7
533.19922	3.1
534.20416	0.4
551.25439	7.9
552.25244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.1
58.00590	3.0
59.01380	61.2
60.01716	1.3
61.98832	14.6
63.36107	1.0
69.39007	10.8
69.39423	2.7
71.01388	36.4
72.99302	1.7
73.02953	3.2
73.42745	1.0
85.02967	6.4
87.00881	1.9
88.98848	1.3
89.02454	69.9
101.02457	8.3
102.40852	1.4
103.37671	1.2
113.02473	9.2
119.03510	4.0
123.75955	1.0
125.02452	2.8
131.03529	10.5
135.06712	1.2
137.02509	1.4
145.02974	2.9
149.04568	20.5
151.00371	1.3
155.03616	1.0
156.05533	1.2
161.04573	2.0
164.03613	1.0
165.12871	1.5
169.01445	2.1
183.10316	1.3
183.13898	4.8
209.11729	1.1
209.15436	1.3
224.04893	2.2
227.12842	8.3
228.13120	1.5
238.06310	2.0
255.10278	7.8
266.05899	2.1
267.10504	1.4
269.11917	2.0
270.12442	2.1
283.09775	27.1
284.10068	1.7
287.15082	1.6
289.15454	2.2
294.08923	1.9
295.09644	4.3
296.10458	3.3
297.11584	1.5
298.12115	5.6
309.11395	1.5
310.12039	1.6
311.09256	66.9
312.09549	8.9
325.10815	8.0
326.11581	56.1
327.11987	5.6
341.13956	100.0
342.14328	16.4
359.20886	1.4
488.18509	4.7
519.20850	2.4
551.14282	2.0
551.25702	20.3
552.26129	2.1
556.71851	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	551.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02163	0.6
55.01867	1.1
57.03454	1.6
58.00595	2.0
59.01379	100.0
60.01711	1.4
61.98834	10.4
66.88329	0.5
69.95363	3.7
71.01385	31.9
72.99314	2.2
73.02960	5.6
83.01408	2.2
83.05064	0.7
84.15440	0.6
85.02952	7.7
85.03358	0.6
87.00890	2.2
87.04526	1.5
88.98825	1.9
89.02451	34.5
90.02796	0.6
95.01402	1.4
97.02934	0.5
98.20554	0.6
99.00916	1.3
99.04526	1.9
101.02454	12.2
109.02972	0.8
111.00916	1.5
113.02469	8.2
119.03547	2.6
119.07180	2.0
121.03016	0.8
121.06528	0.5
123.00900	2.0
124.01711	0.8
125.02488	2.0
131.03532	3.9
132.57747	0.6
133.03040	0.7
137.02481	1.7
138.03246	1.6
139.04100	0.8
143.03558	1.0
145.02916	0.7
149.04562	5.1
151.00372	1.3
151.04025	2.7
152.04851	1.0
153.05647	1.3
159.04546	1.4
161.02498	1.0
161.04593	3.4
163.04047	0.7
167.03482	0.8
168.00713	0.8
169.01466	1.5
172.05234	0.6
175.04019	4.5
176.04761	0.8
177.05582	1.3
178.73407	0.5
183.02988	0.7
187.04010	4.4
187.09767	1.3
188.04790	1.5
189.05594	1.8
189.13028	0.6
190.06320	2.7
191.07159	1.7
196.99947	0.6
201.05627	0.6
202.06366	2.0
203.07161	1.5
204.07854	0.8
205.05064	5.1
205.08661	1.1
206.05405	0.7
207.13947	1.5
209.08235	1.0
209.11819	4.1
211.02434	0.6
217.08841	1.0
218.05875	1.0
219.06639	1.4
220.07390	6.2
225.14957	4.8
227.12901	18.5
228.13333	1.1
235.09782	3.7
263.11307	2.7
269.13977	1.6
281.12463	4.1
287.14935	1.6
296.07217	0.6
309.07727	0.7
311.05322	0.8
311.09171	0.9
313.10837	1.0
323.13510	1.6
339.12222	0.8
341.10294	6.4
342.10754	0.9
356.12695	2.8
371.15137	3.0
386.13660	1.4
389.16269	2.3
401.16049	52.6
402.16324	6.3
506.17950	0.8
521.20300	2.1
533.19452	1.4
533.26782	4.7
534.26410	0.9
539.66241	0.6
551.27142	71.6
552.27515	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	551.2129
Annotation	Lyoniside
Peak:m/z	Relative Intensity
55.01876	1.2
57.03426	1.4
58.00581	1.6
59.01379	30.8
60.01720	0.4
61.98822	1.8
66.43895	0.4
68.99841	0.5
69.38017	0.5
69.38424	4.0
71.01386	19.7
72.01736	0.5
72.99315	1.7
73.02940	1.9
73.06537	0.3
83.01388	1.7
85.02964	4.7
87.00891	2.2
89.02456	15.4
92.47590	0.4
95.01376	1.0
96.52625	0.4
98.19827	0.7
99.00905	0.8
101.02470	3.3
109.02961	0.8
113.02464	2.4
115.04015	0.8
117.32432	0.4
119.03507	0.9
121.02966	1.5
123.00912	4.3
123.56627	0.4
124.01711	3.6
125.02437	0.7
129.36656	0.4
131.03510	1.6
137.02435	1.6
138.03250	11.2
139.04057	4.4
139.11299	1.1
143.03497	0.6
149.04570	1.3
152.04800	0.8
153.05600	10.9
154.05969	0.5
159.04527	0.7
160.01721	0.4
163.06171	1.0
165.01903	0.5
165.39249	0.5
167.03549	0.4
169.01440	1.1
174.03223	0.7
175.04042	1.4
177.05591	0.8
179.14417	0.9
181.12291	0.9
183.10291	2.2
186.03290	1.0
187.04031	5.8
188.04753	1.8
189.05550	1.8
191.07080	0.6
199.13452	0.5
201.05591	0.9
202.06360	4.8
203.07120	3.2
204.04285	0.5
205.05147	0.9
206.05821	1.0
207.06470	0.8
217.05072	1.1
217.08679	1.0
218.05681	0.8
219.06665	0.7
220.07420	0.5
221.08200	2.8
225.11278	0.9
232.07430	0.9
233.08189	7.8
234.08522	0.6
239.07196	0.6
243.12390	1.5
247.09818	0.4
250.08420	0.5
265.05005	0.6
266.05975	0.4
285.13620	0.6
287.05637	0.6
293.04504	0.8
294.05286	1.2
295.05905	0.7
297.04343	0.4
297.07584	0.9
298.04718	0.6
301.07147	0.5
302.07877	0.5
303.08881	0.4
309.07806	0.8
311.05591	2.0
312.06204	1.3
313.07147	3.4
314.07794	0.6
317.10400	0.6
323.48004	0.4
325.07202	3.2
326.07938	1.7
327.08707	3.9
328.09299	1.1
329.06619	0.5
329.10172	1.0
338.08218	0.6
339.08908	0.6
340.09546	2.9
341.06589	1.0
341.10291	5.4
342.10782	1.0
343.08139	2.3
343.11899	1.6
344.08994	2.7
345.09476	0.5
354.11023	0.6
355.07861	0.6
355.11880	6.2
356.08487	1.8
356.12564	1.2
357.13348	0.7
358.10568	7.9
359.11322	12.8
360.11639	1.3
371.11334	9.7
372.11804	1.8
373.12949	15.7
374.13269	1.8
386.13739	4.7
387.14160	1.1
389.12476	5.7
390.13000	1.1
397.14767	0.4
401.16098	9.1
402.16431	1.5
404.14740	8.0
405.15225	3.8
419.17102	40.1
420.17499	5.8
436.51004	0.4
447.18823	0.6
491.19830	0.7
505.17120	1.7
533.22803	0.5
536.19104	6.1
537.19574	0.8
551.21332	100.0
552.21674	18.9
552.30347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	0.6
57.03363	1.1
59.01273	14.8
59.01605	3.9
59.01797	0.7
61.98720	5.4
61.99065	1.2
69.03369	1.3
69.03710	0.6
69.34839	6.3
71.01270	7.6
71.01698	1.2
71.04936	0.6
72.99187	0.6
73.02840	1.7
83.01301	1.2
83.01752	0.6
85.02834	2.8
87.00746	2.0
87.04361	0.5
89.02321	5.7
93.03401	0.7
95.01310	0.6
97.02871	0.9
101.02328	5.6
108.02061	0.9
109.02824	1.7
113.02452	3.1
114.32787	0.5
115.03951	0.6
116.92775	1.0
119.03381	2.4
120.99622	0.7
121.02817	2.0
122.03696	0.7
123.00820	1.1
125.02338	2.3
135.04436	0.7
136.33781	0.5
137.02457	5.5
137.09578	0.9
138.03189	0.8
139.11305	7.7
143.03427	1.0
145.02850	1.1
147.04437	0.8
149.04413	0.6
149.05893	0.5
150.03120	1.3
151.03888	1.6
152.04727	1.5
154.38480	0.6
157.08681	0.8
159.04483	1.4
160.05312	2.8
161.04599	2.6
161.05699	0.7
163.03922	1.4
163.06140	4.0
163.34938	0.6
164.04654	1.0
165.01822	1.0
165.05428	1.7
167.06966	1.7
169.01318	2.2
175.07495	2.1
177.05544	1.2
178.06250	0.7
179.05518	1.3
179.10809	0.6
180.04147	0.6
181.04932	0.5
181.12212	1.7
183.10278	21.4
184.03654	0.6
184.10472	1.7
191.05508	0.7
193.05219	0.6
197.11743	1.3
209.07954	0.6
225.11275	2.7
226.92250	0.6
227.07176	0.7
238.06079	0.7
240.04170	1.2
243.12399	0.9
255.06654	5.2
256.07031	0.8
256.10995	1.7
260.75696	0.5
265.08859	0.7
267.06534	0.9
269.08121	5.3
270.08682	0.7
282.08737	0.7
283.09753	1.7
284.10464	1.1
295.09818	0.9
296.10413	2.8
297.11301	1.7
299.09412	3.1
300.10031	27.2
301.10226	3.0
307.10352	2.9
310.08527	1.3
311.09219	6.0
312.09995	9.2
313.10498	1.4
315.12375	100.0
316.12729	12.6
325.11420	10.4
326.11826	0.6
327.12384	19.8
328.12851	2.2
330.10922	0.9
345.13464	22.2
346.13736	2.6
371.12296	0.8
389.12521	1.7
393.95493	0.6
394.56519	0.6
489.20148	1.4
491.21613	2.5
507.18823	1.3
531.08752	0.7
534.14343	0.6
551.23785	22.2
552.24402	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	551.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37807	0.5
55.01733	1.1
55.01984	1.2
57.03296	0.9
57.03542	1.2
58.00435	1.0
58.00697	1.2
59.00979	1.8
60.01784	0.6
61.98963	2.9
65.84135	0.6
69.46984	5.7
71.01083	4.4
71.01529	16.2
72.99093	0.7
72.99464	1.9
73.02647	1.4
73.03101	6.3
75.01003	0.7
83.01555	4.4
85.02568	1.3
85.03116	7.3
86.00239	0.7
87.01052	3.4
87.04651	0.9
89.02000	1.7
89.02625	7.2
95.01587	2.0
99.01072	2.0
99.43342	0.6
101.01889	2.4
101.02637	14.2
103.00534	1.3
111.01087	1.7
113.01790	1.4
113.02656	6.5
116.93025	1.2
119.03716	3.5
119.07260	0.9
125.02610	1.4
131.03658	1.1
132.02402	1.7
137.02631	1.3
137.19501	0.6
139.11505	0.7
143.03775	0.7
145.03015	4.1
150.03482	0.7
151.04201	1.4
158.03848	0.7
159.03276	0.9
160.01669	3.4
161.02644	1.6
161.04796	2.4
165.05809	0.9
165.13141	0.6
169.01706	0.7
175.04192	1.4
177.02254	0.7
177.05646	0.7
180.04306	0.7
180.08174	0.6
183.10391	1.0
195.06935	1.0
207.14084	0.9
209.08289	0.8
209.12096	2.1
211.04259	0.7
211.07809	1.4
214.06467	0.6
225.15198	1.8
226.06667	0.8
227.12865	9.7
228.13379	0.8
239.07492	0.9
242.09525	0.8
243.12599	1.2
253.05293	0.7
255.16080	3.0
256.03845	1.4
263.11539	1.4
267.06677	0.9
269.04794	0.8
269.14047	0.9
270.05563	2.0
270.09125	0.9
271.09918	1.2
279.06857	1.1
280.07397	0.9
281.04745	1.0
281.09085	0.8
281.12659	3.1
282.05576	1.0
282.09232	0.6
283.06250	0.9
285.08060	1.3
285.11496	1.5
286.08664	0.6
287.09406	0.6
287.15237	1.5
291.06781	0.9
293.08423	1.2
296.06964	3.0
297.07800	2.6
298.08447	3.0
299.09134	3.5
300.10239	2.7
310.08618	1.3
311.09241	9.8
312.09958	3.6
313.10745	6.4
314.08160	1.5
314.11398	0.9
315.08771	0.7
324.09888	0.7
325.10999	2.0
326.08255	1.0
326.11801	2.1
327.08887	1.6
327.12396	1.0
329.10153	2.9
339.12411	0.7
341.10236	6.3
342.11008	3.3
343.08350	1.7
343.12088	3.2
344.08841	1.7
344.12924	7.8
345.13223	4.0
346.13907	0.9
355.08240	1.0
356.12680	4.8
357.13327	4.0
359.15039	6.8
360.15591	0.7
370.10806	1.4
371.15079	5.9
372.15454	0.9
373.13065	3.3
374.13452	0.7
385.13754	2.6
399.14374	1.0
405.17502	1.4
460.13409	1.6
473.14417	0.9
476.13376	1.1
487.15845	1.0
488.13528	0.7
491.15451	9.1
492.16058	1.5
503.15579	19.2
504.16028	2.4
506.17886	10.1
507.18484	1.6
518.17902	7.8
519.18695	1.3
521.20239	100.0
522.20514	17.8
533.20197	99.4
534.20502	17.2
534.28003	1.3
551.27063	30.9
552.27594	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	551.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
55.62210	0.3
57.03447	9.1
59.01376	6.4
66.10783	0.4
67.01868	0.7
68.99818	0.3
71.01388	4.9
72.99320	0.9
73.02941	1.0
75.00866	1.2
82.22141	0.3
83.01383	2.4
84.02171	1.5
85.02959	17.7
86.03313	0.9
87.00881	20.3
89.02454	1.6
90.40141	0.3
97.02965	0.6
98.20630	0.6
99.00898	1.7
101.02449	1.9
101.64619	0.3
111.00896	3.6
111.32679	0.3
113.02453	0.4
115.04030	0.5
118.51398	0.4
119.03502	0.5
123.04469	0.3
129.01958	18.4
130.02292	0.5
136.94986	0.5
141.01936	1.2
147.03014	5.1
154.03983	0.3
159.03014	3.9
165.04062	0.4
166.05125	0.6
191.01991	12.0
208.93410	1.5
209.03094	3.9
209.06674	100.0
210.03995	0.8
210.07027	4.4
267.07315	0.6
303.03403	0.3
341.11374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.03466	0.2
59.01379	4.0
61.98833	1.5
65.00321	1.2
65.03965	3.9
67.01889	2.0
67.58577	0.2
68.99802	0.3
69.03448	0.2
71.01386	10.3
72.01724	0.2
72.99323	0.4
73.02950	1.3
75.00883	0.2
81.03444	0.1
83.01396	0.6
83.05001	0.2
85.02968	1.5
87.00884	0.8
89.02440	1.0
91.01904	43.2
92.02243	1.4
93.03465	0.4
95.01385	0.5
97.02954	0.2
98.20647	0.3
99.00888	0.5
101.02463	1.4
103.04047	0.2
107.01386	0.4
107.05054	0.4
108.02184	0.6
109.02967	64.8
110.03311	1.6
111.00883	0.2
113.02438	1.6
119.05070	0.3
121.02974	1.3
123.00880	0.3
125.02473	0.7
131.05051	0.2
133.02986	0.5
135.00903	100.0
136.01233	3.2
137.02467	14.5
138.02821	0.4
141.01904	0.1
143.03531	0.4
143.05029	0.2
145.02939	0.3
146.03766	0.2
147.04546	1.0
148.01678	1.4
149.02438	0.9
151.04033	0.7
153.01955	62.2
154.02299	2.0
159.03160	0.2
159.04553	0.9
161.02530	0.9
161.04584	0.7
161.06100	0.9
162.03246	0.2
163.00008	0.1
163.04013	0.9
163.06100	0.2
165.01964	0.2
165.05688	0.3
167.03462	0.2
169.01442	0.5
175.04010	1.3
176.01158	0.3
176.04544	0.1
177.01964	1.4
177.05551	0.3
179.03555	0.7
187.04018	2.0
189.01939	0.2
189.05519	0.2
191.03540	0.2
197.06070	0.6
205.05095	1.6
209.08124	0.3
225.05597	0.3
227.12766	0.2
231.03119	0.3
233.06543	0.3
235.06139	0.3
237.04086	0.2
243.06575	1.5
263.05573	0.1
279.05026	0.2
297.06155	3.6
315.07214	8.9
316.07532	0.7
334.44211	0.1
341.10599	0.1
369.08264	1.0
371.15591	0.2
387.10742	0.4
399.12750	0.2
405.12244	0.2
443.11938	76.9
444.12283	7.5
492.02676	0.2
528.81964	0.1
551.17822	0.3
551.24652	1.5
552.25397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.0
61.98833	100.0
65.26838	0.2
70.86935	0.6
89.65274	0.3
96.96010	0.4
121.02999	0.5
126.15588	0.3
141.09229	0.3
194.70386	0.2
203.09323	0.9
209.11935	0.5
217.23170	0.3
272.45078	0.3
277.02936	0.2
365.19537	0.3
488.35379	0.5
490.36014	0.7
550.29974	0.5
551.30994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.2
60.01707	0.5
60.99307	6.3
61.98830	100.0
62.98542	0.4
70.15144	1.4
85.06596	1.2
96.96046	0.7
101.02506	0.3
134.76274	0.3
180.51720	0.2
196.60680	0.3
253.09200	0.3
391.53961	0.3
409.31186	1.8
423.32898	0.4
425.34229	19.1
426.34543	4.5
451.84903	0.4
487.34274	23.0
488.34674	4.9
551.31104	0.9
556.61554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03234	0.1
59.01376	1.3
61.98832	100.0
62.98549	0.2
62.99242	0.1
78.90739	0.1
80.61201	0.1
84.16586	0.1
92.73476	0.1
96.96029	0.2
98.19894	0.2
119.16690	0.1
182.48552	0.1
229.77797	0.1
234.70358	0.1
272.47647	0.1
551.31201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96209	0.1
57.03437	0.1
59.01379	1.6
60.01686	0.1
61.98830	100.0
62.98529	0.2
69.95741	0.1
70.99980	0.3
71.01394	0.8
73.02945	0.3
85.02972	0.3
87.00920	0.1
88.61266	0.1
89.02449	0.7
90.02791	0.1
93.03442	0.1
95.01405	0.1
101.02451	0.5
107.01459	0.1
109.02982	0.2
113.02457	0.2
119.03522	0.1
123.00900	0.3
125.02473	0.8
131.03510	0.3
137.02467	0.2
138.02016	0.2
139.00446	0.1
149.04581	0.3
149.99611	0.2
151.00327	0.2
151.05029	0.1
153.01888	0.1
161.02505	0.2
168.00603	0.5
169.01430	0.6
177.01953	0.3
178.02348	0.2
179.07301	0.1
191.07147	0.1
209.11942	0.1
217.05301	0.1
257.21313	0.2
348.48737	0.1
356.21411	0.1
358.21973	0.1
430.78036	0.1
544.90363	0.1
550.13068	0.2
550.23407	0.4
550.31525	0.2
551.09253	0.1
551.24725	2.5
551.31927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03770	0.2
56.28779	0.2
59.01379	2.1
61.98830	100.0
71.72575	0.2
71.79582	0.2
78.95915	0.3
79.95754	0.4
96.96020	1.7
182.62804	0.2
241.24023	0.2
431.36862	0.3
453.32278	0.2
499.31577	0.2
551.30005	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	550.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.1
60.99318	1.5
61.98828	10.8
65.37980	1.1
69.03480	1.6
69.23042	1.4
69.96788	7.7
71.01385	8.6
72.99306	2.0
73.02948	2.5
75.00903	1.4
78.95924	2.3
79.01889	1.4
81.03459	1.6
83.01384	2.9
83.05035	2.9
85.02953	2.5
85.63107	1.2
88.98823	5.8
89.02467	4.6
93.03464	12.0
94.49044	1.2
95.01406	4.2
96.96016	12.2
96.96970	2.7
97.02941	1.5
98.95601	1.4
99.00869	2.4
101.02475	4.0
103.63188	1.2
107.01404	7.2
107.05090	1.1
109.02962	5.8
111.00903	5.0
111.04532	18.4
113.02476	3.8
116.92899	1.6
122.02478	1.5
123.00898	21.9
123.04507	1.7
124.01733	1.2
125.02462	33.5
135.04572	2.4
135.89066	1.2
137.02400	5.9
139.00391	4.3
139.04019	1.5
141.01982	2.8
145.02983	1.7
151.00380	14.5
151.04018	1.6
153.01910	4.0
153.05592	1.5
155.03508	10.7
161.02460	2.0
165.01965	1.7
165.05547	2.3
167.03519	1.9
168.00691	3.9
169.01447	60.6
170.01740	2.2
173.04578	5.0
191.05618	4.0
193.01480	1.3
197.04568	3.5
201.01932	1.2
203.03656	1.3
211.02510	11.8
213.96022	1.6
214.02576	1.2
249.03912	1.5
271.04568	3.5
275.01987	2.6
300.99854	5.7
313.05643	5.5
331.06656	16.6
332.07156	2.3
453.10623	2.6
458.02878	1.6
461.13144	4.1
469.09857	26.7
470.10376	2.4
487.10886	100.0
488.11084	13.1
551.15863	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	549.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03450	2.8
58.00570	0.6
59.01379	100.0
60.01722	1.4
60.99328	0.7
61.98831	48.6
69.03458	1.0
71.01389	23.3
71.05035	1.3
71.70143	0.8
72.01737	0.7
72.99311	2.4
73.02952	6.1
74.03316	0.6
75.00896	2.0
81.03471	0.9
83.01391	4.8
83.05040	0.6
85.02962	10.3
87.00891	2.2
87.04556	1.6
88.98833	1.6
89.02456	15.0
89.02981	0.8
90.02847	0.8
93.03456	3.6
95.01427	1.9
96.96006	0.8
99.00891	3.0
99.04536	3.4
101.02456	17.6
101.03073	1.1
102.02814	0.6
108.02220	1.0
109.06628	0.7
111.00863	0.7
113.02457	9.3
117.05609	1.6
119.03525	5.8
119.05051	1.7
121.02963	1.2
122.03708	0.7
123.00941	1.9
124.01669	0.8
125.02468	5.2
127.65939	0.6
131.03537	1.6
133.03009	1.3
134.03848	0.6
135.04547	0.8
136.01678	31.7
137.02496	6.3
139.11371	1.5
143.03531	1.9
145.02985	0.8
149.04619	2.3
149.06113	0.7
151.00534	1.5
151.04024	43.4
152.04393	2.1
155.10730	0.7
159.03046	1.3
160.05368	1.5
161.02493	4.2
161.04541	5.2
163.04033	0.9
165.12901	1.3
169.01463	3.1
175.07710	0.9
179.05661	2.6
181.12381	0.7
183.10303	1.8
183.13882	0.7
191.05597	0.7
199.13422	0.9
206.26320	0.6
207.10628	0.7
207.13985	2.2
209.11876	4.1
223.13414	0.8
225.14955	5.4
227.12891	23.7
227.15048	1.3
228.13290	2.0
243.12437	3.1
244.12746	0.6
264.07648	0.7
269.13968	2.2
269.17642	2.2
271.04776	1.1
279.11017	1.8
279.14539	2.4
283.10779	0.8
285.13620	1.0
287.15024	2.8
295.09232	0.7
297.12369	5.5
311.13031	1.8
314.09116	1.0
321.11795	0.9
325.12079	2.5
326.12323	0.8
353.11368	4.2
354.11896	0.8
355.13055	1.0
357.19217	0.8
369.26877	0.9
387.14502	24.7
387.27512	6.1
388.10498	0.6
388.14859	4.3
388.27954	0.8
417.24771	3.0
429.12973	1.3
487.21942	4.6
513.20288	0.6
531.28107	5.6
532.28357	1.2
549.29468	69.7
550.29755	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	549.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71902	0.5
55.01866	1.0
57.03448	3.0
58.00584	0.9
59.01381	61.5
60.01722	0.6
61.98833	40.0
69.03469	0.8
69.42397	0.8
69.42806	6.0
71.01387	14.6
71.05042	1.1
72.99326	1.9
73.02956	5.8
75.00884	0.7
83.01383	3.7
85.02960	7.2
87.00883	1.7
87.04526	3.2
88.98831	1.2
89.02457	8.1
93.03481	1.4
95.01411	1.0
96.96011	0.8
97.02969	1.4
97.06590	0.9
99.00877	1.2
99.04539	1.2
101.02463	12.7
107.01423	0.9
108.02201	1.2
109.02979	1.1
113.02464	5.6
119.03529	3.1
121.03008	0.7
123.00906	1.8
123.08177	0.7
125.02486	3.9
131.03531	1.4
133.02975	1.0
136.01654	1.1
136.99005	0.6
137.02463	4.2
137.06084	0.6
137.09755	0.7
139.00398	1.4
139.11307	18.7
140.11623	1.1
140.14005	0.5
143.03500	0.7
145.02940	1.0
149.04536	0.9
151.00404	2.7
151.04039	1.4
151.11249	0.6
152.01233	1.2
153.01935	1.0
159.03038	0.7
161.02505	1.2
161.04570	2.6
161.08240	1.5
163.03967	0.8
163.11266	1.2
165.09100	1.4
169.01398	3.5
171.04491	0.8
171.10278	0.7
179.03568	0.5
179.05641	1.1
181.12357	13.0
182.12674	0.7
183.10283	25.0
183.13853	0.8
184.10654	1.7
197.11778	1.2
197.15729	0.7
199.13411	4.6
209.11792	0.6
211.13368	1.4
225.11319	12.5
226.11627	0.7
227.12933	2.1
237.09666	0.9
239.12831	1.0
243.12363	44.6
244.12668	3.1
249.11479	0.8
255.06606	10.5
256.06754	1.0
257.13882	1.8
259.83307	0.6
262.44299	0.7
271.15649	0.6
279.06647	0.8
279.10745	0.8
283.22824	0.9
285.13425	16.7
285.18155	0.8
286.13794	2.2
315.14432	1.0
321.08191	1.0
327.21765	5.8
328.22229	0.7
345.15475	6.0
357.13586	0.7
366.84677	0.7
369.26587	1.1
387.14313	3.4
387.22879	1.2
387.27563	15.6
388.27805	0.7
405.17624	3.6
487.21863	12.1
489.23798	1.3
531.24554	1.5
531.31812	0.9
549.25415	100.0
549.32709	26.6
550.25684	15.6
550.33051	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	549.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03455	3.4
58.00576	1.4
59.01377	70.4
60.01709	0.9
61.98831	7.9
69.03448	1.0
69.39532	6.3
71.01386	21.2
71.04998	0.6
72.99313	1.3
73.02589	0.9
73.02953	10.8
75.79700	0.6
83.01398	4.5
83.04996	1.0
85.02950	6.9
86.02756	0.5
87.00880	2.3
87.04514	2.5
89.02453	13.4
95.01380	1.9
95.05078	0.6
97.02962	0.7
97.06590	1.5
99.00940	0.8
99.04510	3.7
101.02452	13.9
109.06580	2.7
111.04608	0.7
113.02451	8.2
117.05585	3.6
119.03519	5.4
121.06579	1.8
124.78609	0.7
125.02454	1.6
131.03517	0.9
135.06659	8.1
137.02420	0.7
143.03452	1.3
145.02914	0.7
149.04521	1.0
161.04549	2.8
165.12843	4.9
169.01425	1.0
177.01904	0.7
179.05608	1.2
181.12285	0.7
183.10301	1.0
189.12828	2.4
191.10831	0.8
207.13914	15.3
208.14224	1.0
209.11861	8.7
210.12184	1.2
225.11307	0.7
225.14856	3.0
227.12926	10.0
233.11639	0.9
247.53165	0.8
251.12898	4.6
269.11526	0.6
269.14011	6.1
276.75882	0.5
279.10843	6.1
280.11151	0.6
287.14984	10.3
288.15298	0.7
297.11844	9.2
298.12231	1.0
321.11832	1.0
327.30444	0.6
328.25449	0.6
339.12958	1.4
359.17288	0.6
387.14532	2.9
389.18222	0.9
405.56424	0.7
417.24292	0.7
449.20135	2.6
501.28464	1.4
531.24573	5.4
532.24945	1.4
549.25226	100.0
550.25610	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
57.03445	1.3
58.00602	0.7
59.01379	89.0
60.01711	0.9
60.41037	0.6
61.98829	8.5
69.03475	1.0
69.52361	5.5
71.01386	20.2
71.05011	0.7
72.99335	0.6
73.02951	17.4
75.00866	3.3
83.01389	7.8
85.02961	5.5
87.00879	1.4
88.00646	0.6
89.02450	9.6
95.01402	1.5
96.95994	0.8
97.02980	0.6
97.06602	0.7
97.96346	0.5
98.19859	0.8
98.72992	0.6
99.00910	1.3
99.04535	12.3
101.02455	18.3
108.02207	1.2
109.02971	1.3
111.00893	0.6
113.02450	8.8
117.05575	1.2
119.03500	2.8
121.02972	0.7
122.03730	1.1
123.00881	0.7
123.04515	0.8
125.02448	2.4
131.03491	2.2
134.03745	1.1
136.01678	60.8
137.02243	2.4
139.11322	0.9
143.03474	1.4
145.02963	1.1
149.04527	1.8
149.06055	1.2
151.04022	77.0
152.04332	2.6
159.04530	0.9
160.04083	0.8
160.05298	2.2
161.04572	5.7
165.12852	1.3
167.10750	1.6
169.01357	0.7
173.05930	0.8
175.07643	1.8
181.12364	0.8
183.10240	1.4
205.05042	0.7
207.13904	7.3
209.11833	7.8
210.12123	1.3
217.05054	1.4
219.06627	1.2
225.11406	0.9
225.14954	10.3
226.15341	0.8
227.12891	35.2
228.13281	3.2
233.08253	0.6
233.11673	0.9
243.12263	2.4
249.34776	0.6
251.09119	0.9
251.12776	2.2
254.89676	0.6
269.13928	11.5
270.14084	0.9
279.10809	2.2
279.13785	0.7
285.13586	0.7
287.14993	30.7
288.15256	2.7
293.13837	1.1
311.12836	2.6
321.11935	4.6
329.15872	2.6
334.58960	0.7
359.16953	0.9
387.14474	48.3
387.27267	2.2
388.14902	6.8
389.18011	5.4
417.24850	2.8
449.20300	4.7
487.21445	1.9
489.23053	0.8
531.24133	4.8
532.24469	1.0
549.25183	100.0
550.25586	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	549.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31279	0.5
55.01866	0.6
57.03457	3.1
58.00593	0.9
59.01382	53.8
61.98833	7.1
69.03466	0.5
70.36333	0.4
70.48069	1.0
70.48423	1.5
71.00985	0.8
71.01388	15.6
71.05006	1.4
72.01705	0.6
72.99290	0.8
73.02958	4.8
75.00873	0.5
83.01381	1.8
83.05030	1.3
85.02958	5.4
87.00877	2.6
87.04491	2.6
89.01981	0.8
89.02461	11.0
95.01398	1.7
96.95944	0.6
97.02959	1.0
97.06580	1.6
99.00872	1.3
99.04553	3.5
101.02461	10.1
103.03995	0.8
107.01324	0.6
107.05020	0.8
109.06596	5.8
111.00906	0.8
112.34804	0.5
113.02469	6.8
115.04005	0.6
117.05576	2.3
119.03533	4.5
121.02914	0.7
121.06615	5.4
123.00912	4.1
123.83933	0.5
125.02479	4.6
128.44353	0.5
131.03506	0.9
133.06619	0.7
135.06659	7.4
136.01648	0.7
136.15720	0.5
137.09715	0.6
139.00354	0.9
140.01205	0.8
141.01941	0.6
143.03503	0.9
145.03006	1.0
149.04512	0.8
151.00392	1.9
151.04019	1.8
161.04565	2.2
163.27747	0.5
165.12848	2.0
166.02728	0.6
168.00691	0.9
169.01443	4.0
179.05580	1.0
181.05142	0.7
181.12328	0.9
189.12912	4.2
191.10730	1.5
195.04637	0.6
199.65294	0.5
207.13927	23.9
208.14226	1.8
209.11858	6.4
210.12138	0.6
210.39095	0.4
211.02304	0.7
225.11366	0.8
225.14946	1.0
227.12859	2.3
233.08138	0.6
236.22260	0.5
251.12862	5.6
269.13913	1.4
271.04730	0.6
279.10928	1.2
287.15063	0.6
297.11920	10.5
298.12189	1.0
399.14594	0.9
417.24472	0.6
486.19617	1.5
488.10217	0.6
489.23557	0.9
514.66168	0.5
531.24567	1.8
549.16357	11.4
549.25372	100.0
550.16943	1.9
550.25842	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	549.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
57.03449	0.7
59.01384	7.5
61.98832	7.6
69.03469	0.9
71.01388	4.5
73.02953	1.3
73.99870	0.3
81.03472	1.6
83.01380	0.8
85.02965	3.9
85.65942	0.3
87.00905	0.4
89.02469	0.9
93.03504	0.4
94.22207	0.4
95.00881	0.4
95.01396	2.2
96.96019	0.3
98.19799	0.6
99.00905	0.6
101.02455	2.5
104.21492	0.4
108.02193	42.1
109.02975	63.5
110.03321	1.6
113.02467	1.4
121.02971	0.5
121.75645	0.3
123.00882	2.6
123.04517	0.8
125.02482	0.8
131.03519	0.5
135.00830	0.5
138.02017	0.3
149.04601	0.5
151.04021	1.1
151.87642	0.4
152.01178	45.8
153.01962	39.8
154.02284	1.4
161.04597	1.4
163.03981	0.5
165.02031	0.4
169.01414	1.1
177.01959	0.3
195.03085	0.4
251.16588	1.8
297.06201	0.7
315.07239	1.3
357.22830	1.2
378.74274	0.3
396.10443	0.4
417.28488	1.3
489.27115	0.9
533.65009	0.4
549.23395	100.0
550.23798	15.7
550.32404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01509	1.0
55.01884	1.9
56.48586	1.1
57.03445	3.4
58.00586	3.8
59.01380	100.0
60.01717	1.4
61.98833	10.4
69.03459	2.0
71.01385	66.6
71.72464	1.5
71.72840	1.4
72.99304	7.2
73.02948	9.0
74.99123	1.4
75.00873	3.2
78.91907	1.2
83.01396	4.6
85.02962	22.3
87.00878	9.0
87.51135	1.1
88.98846	1.5
89.02452	65.6
90.02762	1.5
90.76109	1.1
93.03477	1.6
95.01397	4.4
96.96027	5.9
97.02965	2.4
99.00896	7.7
101.02453	46.4
102.02795	1.4
102.98600	3.2
103.04065	1.8
105.03473	1.6
107.01408	2.2
109.02962	2.2
111.00907	3.1
113.02462	24.2
116.92897	1.8
119.03519	23.3
119.05003	1.9
119.40092	1.2
120.99616	1.6
121.02966	1.6
121.06665	1.2
122.03728	2.7
122.06149	3.7
123.00929	2.3
123.04495	1.6
125.02470	11.9
131.03528	12.7
135.04518	7.6
137.02484	1.4
141.01944	1.3
143.03537	5.2
144.04587	2.2
147.04530	6.5
148.05333	1.5
149.04590	8.4
149.06070	4.2
150.05656	1.9
151.03998	1.5
153.01938	2.1
159.03023	2.5
160.04086	1.4
161.04607	17.0
161.06018	1.6
162.05618	1.6
163.04076	2.8
167.07137	21.1
169.01453	9.5
172.04008	2.3
173.04666	1.4
175.02455	2.5
176.07188	1.6
177.09216	4.6
179.05637	10.9
181.08698	1.9
188.07164	1.4
190.05116	1.2
191.03690	1.3
191.05670	4.7
195.06648	5.1
202.05154	1.9
204.06624	5.0
233.06767	1.8
235.06079	2.2
238.11044	1.4
251.11771	1.2
252.41684	1.1
253.06046	1.2
253.09671	1.4
253.13443	3.5
267.08020	1.8
267.11401	2.0
269.09482	1.2
269.13052	1.9
275.01883	1.4
281.09122	2.0
281.12830	1.7
282.10297	1.5
283.10730	1.7
293.09024	2.5
295.10831	3.5
296.11758	1.2
297.12491	16.0
298.12668	1.4
300.99969	1.3
303.99802	1.3
309.09070	1.4
309.12442	3.3
311.10202	1.6
312.12170	4.9
313.05853	1.2
313.12906	31.2
313.77487	1.4
314.13309	2.9
323.10516	3.2
325.08319	1.9
325.11914	10.6
327.08838	2.5
335.10413	2.8
337.11896	2.0
339.13589	5.5
341.11194	1.5
353.11383	8.2
355.13074	12.2
357.15561	43.8
358.15930	4.7
369.10669	3.3
369.15472	34.3
370.15814	2.9
375.13324	1.2
383.12482	1.5
387.10889	3.0
387.16141	4.1
393.14969	1.5
397.10324	2.2
399.11880	4.9
401.13708	5.1
415.15366	1.3
417.24890	7.1
418.25681	1.7
429.12943	4.4
431.14487	5.4
439.20203	1.3
447.14069	1.8
448.96625	1.4
489.19833	29.5
490.20715	5.3
517.14404	3.7
521.17957	1.5
533.70709	1.2
549.17023	79.4
549.22772	36.5
550.17279	15.3
550.23041	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03442	1.6
58.00586	1.1
59.01381	45.5
60.01722	0.5
61.98832	22.2
69.03451	1.3
69.44945	0.5
69.45316	4.9
71.01385	21.0
71.05026	2.8
72.01723	0.4
72.99316	1.0
73.02959	5.9
75.00871	3.1
81.03462	0.6
83.01397	4.3
83.05045	0.5
85.02968	6.4
86.03329	0.6
87.00891	1.6
87.04527	2.5
87.91451	0.4
89.02458	15.2
90.02756	0.4
95.01402	1.5
97.02966	1.4
99.00880	1.6
99.04514	1.2
101.02454	12.5
102.02734	0.5
107.01439	0.6
108.02176	1.6
109.02986	0.9
110.78970	0.4
113.02463	7.0
115.04025	0.8
116.92887	0.5
117.05581	2.0
119.03526	3.4
121.03014	1.1
121.06572	0.5
122.03699	0.7
123.00912	0.6
123.04563	0.5
125.02476	4.1
131.03517	2.1
134.03778	1.2
135.06648	3.2
136.01678	85.1
137.02350	3.0
137.45380	0.5
139.11227	0.5
141.67746	0.4
143.03497	1.7
145.02943	0.5
145.06609	0.6
149.04579	2.5
149.06091	0.6
151.04025	100.0
152.01173	0.5
152.04367	4.0
159.03058	0.8
159.04504	1.5
160.05313	2.6
160.84276	0.5
161.02397	1.0
161.04550	5.1
165.05615	1.6
165.12875	1.4
169.01440	1.2
170.45844	0.4
173.06029	0.5
175.04013	0.7
175.07640	2.1
176.04842	0.5
179.05663	1.2
180.07927	1.0
183.10271	0.5
184.87462	0.4
195.10208	0.9
204.04240	0.7
205.05101	1.0
207.10532	0.4
207.13875	1.9
209.11787	3.0
217.05011	1.4
218.05756	0.5
219.06673	2.3
225.14955	1.4
227.12886	4.1
233.08258	0.8
235.06126	0.9
251.09348	0.8
251.12862	0.8
269.13916	1.4
269.17557	2.4
279.10843	2.1
279.13953	0.5
287.15225	0.8
293.08789	2.7
297.11893	6.1
298.12289	1.3
311.12897	5.2
327.21680	0.6
339.13025	0.6
387.14487	66.3
387.27518	2.7
388.14886	8.4
417.24878	1.2
457.29608	0.9
486.19781	0.8
487.21899	4.0
519.29584	0.9
531.27740	0.7
539.03381	0.4
549.24335	6.8
549.30157	22.4
550.24188	1.3
550.32019	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	549.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
55.83720	0.3
57.03455	0.7
58.00613	0.4
59.01380	26.7
61.98833	3.9
71.01385	9.3
71.01746	0.6
72.99336	0.4
73.02956	4.9
75.00876	3.0
78.10255	0.4
83.01387	4.4
83.01788	0.4
85.02966	2.7
89.02465	3.8
95.01428	1.3
98.19821	0.9
99.00903	0.7
99.04557	2.9
101.02464	6.8
108.02198	1.2
109.02995	0.8
110.12911	0.4
113.02485	3.7
115.04007	0.7
119.03529	1.5
119.04965	0.5
121.03001	1.3
122.03728	0.8
123.04462	0.4
125.02487	1.2
131.03508	0.5
134.03770	1.0
136.01678	73.5
137.02205	2.6
139.11276	0.6
141.09251	0.6
143.03506	0.7
145.03020	0.7
149.04549	0.5
149.06183	1.0
151.04025	100.0
152.04349	4.0
159.03088	0.7
159.04523	1.5
160.04057	0.7
160.05272	3.8
161.04538	3.3
169.01414	0.8
175.03993	0.6
175.07674	2.9
179.05727	0.7
183.10291	0.6
204.04138	0.5
205.05008	1.0
207.13837	1.5
209.11777	1.8
217.05054	1.4
219.06741	2.1
222.12357	0.4
225.11281	0.5
225.14992	2.5
226.15266	0.5
227.12946	8.1
228.13167	0.4
233.08061	0.9
235.06252	0.5
243.12274	0.8
269.13861	1.7
279.10794	0.6
287.14993	6.6
296.10379	0.6
311.12857	4.3
387.14487	56.8
387.27402	1.8
388.14917	6.7
389.17789	1.3
417.24866	1.0
449.19897	1.1
489.22543	0.5
513.24786	0.4
531.23608	1.2
549.24860	22.2
550.25085	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91004	0.2
55.01863	0.2
55.23596	0.2
57.03442	0.6
58.00591	0.5
59.01380	100.0
60.01713	1.0
61.98833	5.3
61.99136	0.4
67.03411	0.2
69.03450	0.3
69.43349	0.2
69.44170	0.2
69.44482	2.4
71.01386	4.4
71.05026	0.3
72.99311	0.4
73.02953	1.4
75.00871	0.4
79.53806	0.2
82.44993	0.2
83.01414	0.8
83.05021	0.2
85.02972	1.9
87.00874	0.4
87.04568	0.3
88.98855	0.3
89.02451	3.4
93.03493	0.9
95.01423	0.4
97.02979	0.3
97.76202	0.2
98.19802	0.4
99.00911	0.4
99.04554	0.4
101.02450	3.3
109.06576	0.3
111.00898	0.2
113.02471	1.8
118.04100	0.2
119.03502	0.8
121.78981	0.2
123.00908	0.3
123.04532	0.3
125.02446	1.3
131.03540	0.6
137.02437	1.0
137.06093	0.8
139.11273	0.2
143.03539	0.5
145.02968	0.5
149.04596	0.8
152.01157	0.3
153.05573	0.2
157.12317	0.3
159.03134	0.3
161.04594	1.2
163.03987	0.3
169.01419	0.6
179.05637	0.2
181.12399	0.4
183.10289	0.6
183.14027	0.3
207.13904	0.4
209.11833	0.9
221.15527	0.6
225.11324	0.4
225.14963	1.2
227.12909	4.4
238.06467	0.3
243.12317	0.6
253.05109	0.4
255.06642	0.4
255.19621	3.2
256.20013	0.3
266.05902	0.5
267.06616	0.6
268.07361	1.7
269.08163	4.6
279.14352	0.3
281.08188	0.8
282.08914	0.4
283.09747	0.4
284.06860	0.3
285.13556	0.2
293.08823	0.7
296.07147	0.3
297.07687	10.8
298.08176	1.2
311.09317	0.7
312.10016	11.3
313.10410	1.0
321.15543	0.3
324.70703	0.2
327.12375	60.7
328.12714	6.6
357.13504	0.4
387.27594	2.7
417.24759	1.3
487.21997	0.3
489.17584	0.3
531.27319	1.0
549.29529	12.4
550.30084	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	549.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
58.00599	0.7
59.01381	5.0
61.98827	0.8
69.53218	1.4
69.53651	2.2
71.01386	5.6
72.99313	0.8
73.02944	1.9
76.53968	0.5
83.01371	1.0
85.02945	1.8
87.00883	1.1
88.98823	0.9
89.02459	0.9
96.27318	0.4
96.96040	0.5
99.00899	2.9
101.02460	2.7
111.00890	1.9
113.02456	1.8
115.00401	0.6
122.06165	2.4
125.02496	0.5
132.04558	0.9
141.01952	0.6
143.03532	0.7
144.04491	1.1
145.05345	0.5
146.06128	2.4
147.03242	0.7
150.05623	1.7
159.03009	1.0
160.04030	1.7
161.04616	2.8
162.05611	1.0
165.09251	0.7
172.04057	2.9
173.04747	0.8
174.05637	1.9
176.07089	0.9
186.05653	0.7
188.07213	0.7
190.05081	1.7
191.89371	0.5
200.03525	0.8
202.05032	0.8
203.05765	0.6
204.06691	4.9
216.06746	0.7
218.04543	0.7
223.08713	0.6
229.13393	0.7
230.04594	0.8
232.06136	1.5
237.06454	0.5
237.10242	0.7
238.11009	1.1
239.11942	0.7
240.08977	1.0
241.09717	0.9
248.05649	1.2
251.11955	0.7
253.06142	0.7
253.09740	0.6
253.10922	0.4
253.13455	3.6
254.11757	0.8
255.11505	1.5
260.05481	0.7
262.07144	0.8
263.07999	0.8
263.86621	0.5
266.06982	0.8
267.07712	1.9
267.11380	0.8
268.08456	1.1
269.09293	0.8
269.12811	1.2
270.07568	0.5
279.07745	1.4
279.11005	0.5
280.08517	1.2
281.09280	2.5
281.12717	0.9
282.09985	1.5
283.10803	2.0
293.09244	0.8
294.09918	0.8
295.07532	0.8
295.10837	3.9
295.14163	0.9
296.11493	1.3
297.12445	13.8
298.12738	1.4
309.09085	0.9
309.12375	4.2
310.12842	0.8
311.13983	0.9
317.09561	0.6
323.10413	2.5
323.13757	0.6
324.10880	0.7
325.11896	10.6
326.12265	1.3
327.13593	0.8
329.15070	1.0
332.75461	0.5
335.10297	1.3
337.11887	1.9
339.13431	5.2
341.11249	1.4
347.10129	0.8
351.09818	1.2
353.11447	6.8
354.11636	0.6
355.13010	11.7
356.13208	1.6
357.15497	5.0
363.13553	0.9
365.11420	1.1
367.13080	0.9
369.10883	3.7
369.14737	0.7
373.13892	0.9
377.11359	1.1
379.09100	0.5
381.10678	1.1
383.12564	1.1
385.14105	0.5
387.15387	1.3
393.14566	0.6
397.10434	2.2
398.10400	0.5
399.11841	3.6
400.12189	0.6
401.13654	3.1
407.12225	0.6
413.13315	0.7
415.14972	1.7
429.13116	4.4
431.14627	4.7
432.14816	0.6
437.13364	0.6
443.14859	0.5
447.14194	1.0
455.14240	0.5
459.14117	0.9
461.15829	0.5
487.17191	1.7
489.20084	2.6
505.18613	0.5
517.14667	2.6
521.18103	0.8
531.16290	0.9
533.75873	0.5
549.17169	100.0
550.17493	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	548.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41166	0.5
57.03442	0.9
58.00583	0.6
59.01377	13.0
61.98829	56.9
63.99244	0.9
67.01887	0.6
68.61450	0.4
69.03455	0.9
71.01389	6.6
71.71667	0.7
72.99304	0.7
73.02959	1.1
79.01868	0.6
81.81202	0.5
83.01405	1.7
83.05024	0.5
85.02954	2.5
85.38070	0.5
86.33402	0.5
87.00876	0.8
87.04540	0.8
88.98822	3.0
89.02457	3.5
89.21906	0.4
93.03471	3.0
95.01396	1.9
95.10059	0.5
96.96022	0.8
99.00842	0.8
101.02455	3.6
107.01396	3.0
109.02975	0.7
111.00871	1.8
113.02459	2.1
119.03504	1.4
119.05069	0.6
123.00898	7.7
124.01671	1.5
125.02462	25.0
126.02769	0.6
127.00427	0.8
136.98769	1.0
137.02449	7.8
137.06148	0.9
139.00417	2.8
140.01157	3.0
141.01910	0.7
151.00354	5.2
153.01974	0.6
161.04556	0.6
165.01988	0.8
167.03482	1.5
168.00668	9.2
169.01442	36.6
170.01790	2.1
177.01913	0.5
183.02925	0.6
211.02475	45.0
212.02858	2.4
225.14958	0.5
227.12891	1.4
230.53358	0.5
241.03494	2.1
251.02739	0.4
271.04572	57.7
272.04919	4.1
306.07687	0.6
313.05673	0.7
331.06674	4.3
387.27493	1.0
417.24969	0.8
471.52594	0.5
485.20267	100.0
486.20639	14.5
487.30402	1.2
549.22498	2.7
549.30292	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	548.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83575	0.2
59.01382	8.9
60.01720	0.4
61.98834	100.0
68.51447	0.2
71.45829	0.4
71.46159	0.3
75.03973	0.2
119.72874	0.2
142.94588	0.2
259.64905	0.2
267.43494	0.2
277.15314	0.3
393.20557	0.3
486.33179	0.3
487.33707	0.3
488.34125	0.9
489.35785	0.2
548.32855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.4
59.01380	25.3
61.98831	38.7
69.59731	7.9
78.21323	0.8
78.93916	0.9
78.95905	1.3
83.95773	0.8
96.96027	1.3
98.19910	1.9
148.09483	0.9
185.32121	0.8
316.68839	2.7
322.08691	1.0
347.19009	0.9
439.32254	2.5
451.32663	1.2
469.33234	17.6
470.33551	3.9
487.34283	100.0
488.34674	18.2
505.34891	6.3
506.35922	1.2
547.33740	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	548.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
61.98834	100.0
68.47305	0.1
71.01384	1.5
71.73235	0.2
72.01713	0.2
72.99331	0.3
73.02962	0.5
74.99145	0.2
75.00898	0.3
83.01411	0.2
85.02975	0.5
87.00898	0.4
88.98806	1.1
89.02455	1.3
89.32060	0.2
93.03497	0.3
95.01419	0.2
96.96057	0.4
99.00912	0.3
101.02467	0.9
101.78352	0.2
111.00920	0.3
112.59616	0.1
113.02467	0.8
115.00422	0.2
116.92889	0.4
119.03527	0.2
119.05073	0.2
120.99714	0.3
121.02999	0.5
123.00932	0.5
123.04580	0.2
125.02477	1.1
131.03516	0.3
133.02974	0.3
137.02492	0.4
138.97948	0.2
139.00421	0.3
139.07681	0.3
145.08733	0.5
149.04541	0.2
151.00432	0.3
161.02478	0.2
161.04601	0.4
163.04167	0.2
169.01443	1.0
170.01810	0.3
175.02534	0.4
177.02013	0.5
183.02896	0.2
191.05664	0.2
201.02074	0.2
249.03989	0.2
263.31238	0.2
267.03400	0.2
275.02008	0.3
301.00018	0.5
301.03320	0.2
343.08679	0.2
357.15845	0.2
403.19958	0.2
459.15460	0.2
473.12085	0.2
483.12152	0.2
484.11688	0.2
485.11948	2.6
486.12097	0.2
489.19839	0.2
548.18475	0.2
549.16925	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	547.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01717	1.1
61.98834	10.5
64.89970	0.3
66.23474	0.3
71.43797	0.5
75.00883	3.6
96.96048	0.6
109.06567	0.3
157.76836	0.2
170.57175	0.3
216.76323	0.3
229.06529	0.3
414.00723	0.3
423.70038	0.3
471.34781	2.2
487.34677	1.2
547.36487	4.9
548.36639	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	547.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30296	0.6
59.01380	15.2
60.69728	0.6
61.98510	1.0
61.98831	14.1
67.36473	0.6
71.00321	1.6
94.56747	0.6
96.96014	0.8
122.44073	0.7
124.01685	1.0
150.06787	0.6
159.97572	0.6
177.97896	0.6
183.13927	3.1
191.07083	1.0
209.11876	1.8
258.49472	0.8
305.01602	0.7
404.81467	0.5
409.31235	1.0
421.31232	0.9
485.28897	1.1
487.34283	100.0
488.27667	1.2
488.34613	17.9
511.29401	0.9
547.21796	3.6
547.30078	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	547.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.8
57.03440	4.0
58.00583	2.6
59.01380	75.8
60.01735	1.4
61.98834	49.8
66.42206	1.2
69.03477	2.3
71.01386	81.4
71.67111	1.3
72.01720	1.6
72.99319	4.2
73.02950	21.7
75.00882	2.6
83.01418	9.1
85.02961	27.2
87.00885	4.3
89.02454	61.5
90.02820	1.5
94.20833	1.1
95.01399	3.8
97.02991	1.5
99.00901	12.5
101.02459	62.0
102.02802	1.9
108.02188	6.9
109.02984	8.0
113.02461	24.9
119.03501	14.6
123.04568	1.9
125.02434	7.3
129.01956	1.7
131.03525	19.5
143.03514	3.8
149.04578	53.3
152.01175	8.8
153.01917	6.5
155.04417	1.5
159.03015	3.9
161.04578	16.6
172.94958	1.5
179.05675	6.1
191.04048	1.9
191.05608	9.8
221.06792	1.5
251.07658	3.8
278.98175	1.2
293.08813	1.6
311.09879	2.2
311.22089	2.4
315.06912	1.6
355.21277	45.7
356.21622	5.6
399.20425	1.3
487.25452	100.0
488.25769	15.7
527.48773	1.3
547.21692	15.7
547.29968	7.3
548.22168	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	547.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07339	0.5
55.01883	2.7
57.03452	3.2
58.00595	1.6
59.01378	100.0
60.01707	0.9
61.98826	5.6
66.54404	0.5
69.03455	1.0
71.01384	56.6
72.01718	1.2
72.99312	2.8
73.02953	13.1
75.00867	0.7
81.03512	0.5
83.01389	6.9
83.31856	0.6
85.02955	21.5
85.26637	0.5
87.00859	2.6
89.02453	43.9
90.02826	0.7
91.38341	0.5
95.01406	3.3
97.03001	1.9
99.00883	7.2
101.02454	48.5
102.02790	1.3
108.02267	0.5
113.02466	23.6
114.02789	0.8
119.03515	10.8
123.04564	0.6
125.02428	3.0
129.01961	1.6
131.03519	57.8
132.03835	1.2
136.01653	0.7
143.03545	2.6
144.53809	0.6
149.04576	37.3
150.04881	0.7
153.05595	0.7
159.03027	2.7
161.04576	15.4
161.05838	0.9
162.04967	0.6
163.00423	2.0
164.01183	0.5
173.04701	0.8
176.01173	1.7
179.05614	5.6
189.01817	0.6
190.99872	3.8
191.05647	20.1
192.00623	3.1
192.06036	0.6
205.03654	0.6
221.06711	2.4
245.81874	0.5
251.07713	3.7
293.08679	0.8
311.09937	2.3
355.21252	61.9
356.21591	6.8
399.20361	0.8
433.85297	0.6
467.28033	4.4
485.28934	0.8
487.25476	20.4
488.25629	3.0
547.12415	9.9
547.21130	0.7
547.29706	3.3
548.13336	2.4
548.22302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03440	2.2
58.00601	0.8
59.01379	85.4
60.01705	1.2
61.98837	4.2
69.03480	0.6
70.73661	1.5
71.01386	17.4
71.05029	2.9
72.01746	0.6
72.99326	0.8
73.02946	7.9
75.00891	0.6
76.87402	0.5
81.03480	0.7
83.01398	3.5
83.05039	1.1
85.02969	8.1
87.00891	1.6
89.02453	5.0
95.01407	1.2
97.02958	1.0
97.06595	0.6
99.00904	2.3
99.04543	2.3
101.02455	11.8
101.03073	0.8
109.06638	0.6
113.02454	7.1
115.04028	8.8
116.04372	0.5
117.03517	0.5
119.03515	1.5
119.04984	0.6
121.06533	0.8
125.02481	1.1
129.01949	0.5
131.03554	0.6
135.06641	1.9
143.03456	0.7
145.02989	2.6
149.04570	1.0
154.67975	0.4
159.03043	1.1
161.04588	4.9
161.05940	0.8
161.09731	1.3
161.13351	0.7
163.04004	1.3
165.12837	1.0
169.01454	0.5
179.10748	0.5
187.11287	1.5
189.09212	0.8
189.12866	0.9
205.12405	0.8
207.10329	0.6
207.13896	1.8
209.11853	4.3
223.13394	1.5
225.14975	4.0
227.10655	0.9
227.12904	17.8
228.13243	1.1
233.10298	3.3
249.11351	0.6
251.12903	0.5
255.06186	0.5
267.12399	0.5
269.13922	2.2
277.09259	2.3
279.10913	2.4
287.15005	8.5
297.11914	4.4
319.10349	3.9
339.12903	1.0
388.67557	0.5
389.18140	1.2
449.20224	2.8
469.20944	0.6
484.18982	1.0
485.24124	0.6
501.49954	0.5
503.25211	0.9
529.22742	6.2
530.23083	1.0
547.23865	100.0
548.24286	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
57.03448	5.4
58.00588	2.6
59.01379	100.0
60.01712	1.3
61.98825	7.4
69.03459	3.1
69.51778	6.9
71.01385	44.5
71.05025	2.6
72.01724	0.9
72.99325	2.5
73.02950	10.6
75.00897	1.0
81.03459	2.5
83.01402	3.7
83.05015	1.5
85.02955	10.3
85.53645	0.6
87.00880	3.3
87.04514	2.1
89.02453	47.9
91.79579	0.6
95.01407	2.1
97.02944	3.6
99.00895	2.4
99.04516	1.6
101.02457	18.8
102.02798	1.2
103.04012	0.9
107.04984	0.8
111.04556	1.0
113.02473	13.1
115.03983	1.3
117.05590	2.6
119.03518	7.7
121.02976	1.6
125.02461	16.7
131.03526	7.4
135.04521	1.9
135.06657	12.3
141.05519	0.7
143.03523	3.6
149.04576	10.5
159.03014	0.8
159.06682	1.1
161.04558	5.8
161.09671	1.7
161.13391	1.6
163.04039	8.6
163.11290	1.5
167.03441	0.8
168.00613	0.6
169.01390	1.5
177.07689	2.0
178.06351	7.4
179.03633	0.8
179.05580	1.9
187.11220	2.7
189.09180	1.2
193.08681	5.5
201.07642	2.1
205.12360	6.6
207.10277	7.7
214.46338	0.7
220.10970	0.7
223.13446	5.0
227.12817	1.5
233.06633	1.6
249.11140	2.1
279.07959	1.3
279.10846	20.8
280.11127	0.8
293.05969	1.0
293.08820	12.1
294.09015	0.9
297.11884	21.0
298.12195	1.6
339.12952	6.8
395.21948	0.9
395.32187	0.7
462.29422	0.8
467.27722	1.8
484.19073	4.6
485.19385	0.9
499.26636	1.1
503.31787	0.7
529.22394	2.6
547.23291	35.9
548.23804	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89059	0.6
55.01873	1.6
57.03458	4.5
58.00584	2.6
59.01377	100.0
60.01719	2.0
61.98831	43.2
68.44437	0.7
68.99834	0.6
69.03451	3.5
71.01385	60.2
71.05009	1.6
71.67735	0.7
71.68131	0.8
72.01701	1.3
72.99311	3.5
73.02951	10.1
75.00874	2.0
81.03468	2.1
82.95424	2.6
83.01409	4.6
83.05030	1.6
84.38998	0.7
85.02959	11.6
87.00883	3.5
87.04524	1.3
88.98839	1.1
89.02451	61.8
90.02791	1.4
95.01411	2.7
95.05020	0.9
96.96034	1.8
96.96958	0.6
97.02953	4.0
97.06621	1.2
99.00909	4.3
99.04546	3.0
100.87231	0.7
101.02451	22.7
101.06118	1.2
107.01402	0.9
108.02224	1.5
109.02975	1.4
109.06595	4.0
111.00912	1.7
111.04563	0.7
113.02464	13.3
113.99615	0.9
115.00430	0.7
115.04030	1.3
116.92900	0.9
119.03519	5.5
119.04994	1.0
121.02922	0.8
121.06643	1.0
123.00880	1.5
123.04540	0.9
125.02460	23.1
126.02794	0.7
127.04004	0.9
127.07691	1.1
129.01950	1.1
131.03525	14.0
133.05109	1.5
135.04572	2.7
135.06721	0.7
137.02470	2.6
139.11307	1.0
143.03510	4.4
144.16565	0.7
145.02995	2.6
145.10378	0.8
147.03029	1.0
149.04568	14.7
150.04907	1.0
151.00414	2.0
152.01173	1.3
153.05518	0.7
158.18059	0.7
159.03058	0.9
160.04044	1.2
161.02466	2.3
161.04559	6.0
162.95004	0.7
163.04027	10.7
165.12894	2.9
169.01482	3.0
173.04579	0.8
177.01967	1.6
178.06372	3.3
179.05630	0.9
183.10272	1.0
183.13989	1.4
189.12923	0.8
191.05774	1.1
193.08707	20.6
194.09058	1.3
207.13931	7.7
209.11809	5.2
225.14951	2.5
227.12863	7.5
233.06599	1.7
233.11838	1.0
243.12416	1.3
251.12885	2.1
255.02983	1.2
269.13928	10.6
270.14432	1.0
270.99249	0.9
271.02518	3.6
287.15036	1.4
293.08771	25.3
294.09317	2.5
295.10400	7.2
295.13446	1.1
297.11850	1.0
298.98532	0.8
299.99194	24.0
300.02811	6.3
300.99899	15.6
301.03366	2.0
302.00293	1.5
325.20514	0.9
337.11526	1.2
367.21268	0.9
371.17212	1.3
385.26163	1.6
415.06421	0.9
415.23367	1.5
417.24854	1.2
455.28012	0.9
459.33237	1.6
484.18945	1.4
485.19073	1.6
487.22379	0.8
499.27100	0.8
503.32043	5.6
529.26978	1.1
547.10950	19.1
547.23737	30.3
547.28778	17.5
548.11713	5.3
548.23071	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.03435	1.0
59.01379	13.1
61.98833	1.0
67.01891	0.4
69.84837	2.0
71.01385	18.3
72.99321	1.6
73.02959	2.0
83.01394	4.8
85.02972	2.0
87.00883	32.5
88.01273	0.4
89.02464	1.0
99.00908	0.7
101.02444	1.2
111.00133	0.5
111.00898	8.2
112.98817	0.7
113.02471	1.9
113.40979	0.4
115.00389	57.8
116.00723	1.2
122.06123	0.6
127.00393	1.5
131.03510	0.6
139.00391	16.8
139.65530	0.3
148.14844	0.4
149.04576	0.4
157.01442	27.2
158.01801	0.5
161.04572	0.4
165.05637	0.7
167.03471	0.4
169.01373	0.4
175.02496	100.0
176.02820	3.1
219.16690	0.4
221.04491	0.4
235.06104	0.6
238.07835	0.4
238.10881	0.4
251.11858	0.6
253.13254	0.4
266.06912	0.5
267.07794	0.6
267.11166	0.9
268.12393	0.4
279.07892	0.6
280.08466	3.3
281.09106	0.6
295.10873	9.2
297.12445	1.1
309.12646	0.6
313.11685	0.5
323.10416	0.9
325.11993	1.9
327.13544	3.1
328.13797	0.7
339.09854	3.7
353.11478	1.5
355.13028	0.7
363.13812	0.5
367.12817	0.5
369.10797	0.7
371.12491	10.7
372.12842	1.0
385.13995	0.6
391.13068	1.1
397.10422	2.2
399.11969	1.5
401.13498	2.3
429.12997	6.5
430.13391	0.5
431.14612	1.7
435.12128	1.1
443.14651	1.3
447.13742	0.5
449.13443	0.6
453.13034	0.9
457.16211	0.5
467.14526	7.8
468.14972	1.0
485.15610	10.9
486.16074	1.7
487.13583	4.0
499.13501	1.3
511.13586	2.0
529.14447	1.5
547.15198	2.6
559.74225	0.4
562.08246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.18660	0.4
57.03434	0.8
59.01381	11.2
61.98835	1.2
62.62187	0.4
67.01882	0.4
68.80822	0.4
69.48394	1.0
69.48798	3.5
71.01385	17.0
72.99306	1.8
73.02950	2.0
79.62656	0.4
83.01395	4.6
85.02975	3.0
87.00887	31.1
88.01233	0.5
89.02465	1.6
98.17896	0.5
98.19893	0.9
99.00890	0.8
101.02432	2.1
103.04055	0.5
111.00905	7.5
112.98850	0.9
113.02454	2.2
115.00388	58.0
116.00708	0.7
123.00912	0.5
125.02449	0.7
125.98727	0.5
126.46172	0.5
127.00385	1.8
131.03549	0.4
138.99290	0.5
139.00391	15.9
157.01448	25.6
169.01462	1.2
172.04250	0.5
175.02498	100.0
176.02863	2.7
192.91019	0.4
211.76057	0.5
252.10234	0.5
265.13535	0.5
266.07053	0.7
267.11438	0.6
280.08414	2.5
281.08994	0.5
295.10931	5.6
297.12387	0.8
300.99512	0.6
309.12283	0.5
313.12854	0.5
325.12076	2.0
327.13510	4.2
339.09879	1.1
353.11447	0.8
355.13077	1.1
369.11237	1.0
371.12460	8.6
372.12708	0.8
372.46594	0.5
391.12927	1.6
397.10516	0.6
399.11761	0.8
401.13611	2.0
415.23242	0.7
429.13120	4.9
430.13461	0.7
431.14722	1.5
435.11880	1.3
443.14609	1.1
447.14154	0.8
453.13043	0.9
467.14594	5.9
485.15634	11.9
486.16006	1.5
487.13586	4.4
488.14343	0.5
499.13864	0.6
511.13516	0.9
529.13129	0.6
529.19830	0.9
547.15509	3.1
547.23816	1.6
571.96619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03437	0.9
58.00580	0.5
59.01381	21.1
60.01717	0.4
61.98834	9.2
65.00314	0.3
67.01899	0.5
69.03448	0.4
71.01387	6.1
71.05036	0.4
72.99303	0.6
73.02950	2.4
73.06364	0.2
75.00841	0.3
79.01892	0.4
81.03471	0.3
83.01410	1.7
83.05026	0.4
85.02956	3.3
87.00909	0.7
87.04520	0.5
89.02447	3.3
95.01393	1.8
96.96022	0.3
97.02982	0.5
97.06600	0.4
98.19910	0.6
99.00896	0.7
99.04527	0.4
101.02460	4.8
107.01383	1.7
111.00880	1.3
113.02466	3.0
115.04028	2.8
117.05570	0.6
119.03538	1.5
123.00902	9.7
125.02470	11.0
126.02782	0.4
127.00395	0.6
128.37762	0.3
133.02965	0.4
135.04512	1.1
135.06667	1.9
136.98834	1.0
137.02525	0.4
139.00403	3.3
140.01175	2.0
141.01939	1.2
143.03514	0.3
145.02969	0.4
149.04582	0.3
151.00388	8.5
153.01941	0.5
161.02443	1.0
161.04558	1.1
161.09782	0.9
161.13377	0.4
163.11252	0.4
167.03357	0.3
168.00688	2.6
169.01442	15.0
170.01828	0.7
177.04033	0.3
179.03503	1.1
179.05580	0.5
181.05042	0.4
187.11311	1.0
189.09212	0.8
193.05025	0.3
194.05251	0.4
205.12326	1.0
207.10274	0.6
209.11813	0.9
211.02449	0.5
214.47395	0.3
221.04515	0.4
223.13408	0.6
225.14992	0.7
227.12880	3.7
228.13252	0.4
249.11449	0.4
251.05504	0.3
277.09314	0.4
279.10925	2.2
281.06616	0.8
287.15021	0.7
288.15408	0.3
297.11954	3.4
313.05634	1.3
319.10419	0.4
339.12946	0.7
341.08792	0.7
415.23572	0.7
465.17719	0.3
483.18701	100.0
484.19064	14.0
529.22852	1.1
546.22229	2.2
547.23828	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	546.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34155	0.1
50.84063	0.1
55.01903	0.1
57.03436	0.3
59.01379	3.6
61.01810	0.2
61.98832	100.0
62.98547	0.2
66.73056	0.1
69.03465	0.1
71.01392	1.8
71.69897	0.2
72.01749	0.2
72.99322	0.2
73.02939	0.7
79.95803	0.1
82.27627	0.1
82.71916	0.1
83.01402	0.4
83.05068	0.1
85.02966	0.7
87.00893	0.3
88.98813	0.2
89.02445	1.2
93.03485	0.2
95.01408	0.2
96.96035	0.3
99.04534	0.3
101.02460	1.7
101.85651	0.1
102.02782	0.2
108.02182	0.1
109.02991	0.3
111.04605	0.2
113.02451	0.9
114.02921	0.1
117.29893	0.1
119.03528	0.2
123.00958	0.2
125.02467	0.5
131.03519	0.4
135.04562	0.2
137.02483	0.2
145.03000	0.2
146.41260	0.2
149.04626	0.2
151.74875	0.1
151.99246	0.1
152.01219	0.2
152.07240	0.3
153.01971	0.2
159.02963	0.1
161.04555	0.4
165.01823	0.1
165.12842	0.4
165.46655	0.1
166.13309	0.3
169.01448	0.5
173.04601	0.4
177.02019	0.2
183.10443	0.1
183.13979	1.0
184.14293	0.6
197.15485	0.2
198.15843	0.2
199.10008	0.1
209.11827	0.2
210.20866	0.1
211.13466	0.2
227.07219	0.2
227.12947	0.5
228.13194	0.3
237.09863	0.5
241.14505	0.2
251.16483	0.7
252.16821	0.6
253.18228	0.4
285.04007	0.4
312.13962	0.1
327.21759	0.8
353.19583	0.2
354.20074	0.6
385.26105	0.2
403.91977	0.1
469.21686	0.1
486.24088	0.2
486.30698	0.2
546.26483	3.6
546.33417	0.9
547.27472	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	546.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73629	0.4
55.01883	0.7
59.01383	1.5
61.98834	15.3
65.00352	0.6
67.01888	1.0
68.99818	0.6
69.03465	1.2
70.04373	1.1
70.04780	2.3
71.01391	3.6
72.99312	1.1
83.01382	1.2
83.13483	0.6
85.02978	1.4
87.00896	1.2
89.02477	0.9
93.03452	0.9
95.01407	0.8
96.96025	0.5
97.02982	1.3
101.02478	1.5
107.01391	4.1
110.00117	1.4
111.00893	4.5
113.02486	1.5
116.92886	1.1
123.00898	5.5
123.04529	0.7
124.01695	1.4
125.02464	30.9
126.02780	1.0
127.00410	1.7
134.04732	0.5
136.98837	2.9
137.02451	0.5
139.00391	9.8
139.04018	1.0
140.01175	8.2
141.01953	0.9
151.00374	3.9
153.01947	6.8
154.02765	6.2
154.99945	0.5
155.03479	2.9
166.99857	0.6
167.03531	1.5
168.00655	11.5
168.04292	1.5
169.01442	41.4
169.05161	2.5
170.01825	1.9
179.03496	1.0
183.02968	3.0
191.03468	0.7
191.05597	0.6
211.02509	2.2
241.03506	1.0
245.01012	0.6
253.03529	0.8
253.09525	0.5
297.06149	4.5
300.99884	1.7
313.05664	9.1
314.06073	1.1
465.01590	0.6
483.11493	100.0
484.11884	14.1
547.16718	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	546.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03441	0.9
59.01086	0.6
59.01380	8.4
61.98830	18.4
67.01880	0.5
69.03463	0.6
70.51464	0.9
71.01382	5.1
72.99300	0.5
73.02965	1.8
79.01891	0.6
83.01391	0.9
83.05050	0.3
85.02949	2.7
87.00888	0.7
89.02445	2.4
95.01398	1.4
96.85106	0.3
97.02946	0.8
101.02451	3.0
107.01389	1.7
109.02924	0.5
111.00874	1.5
113.02450	1.9
119.03518	0.7
121.36024	0.3
123.00896	9.6
124.01675	0.8
125.02457	9.0
127.00359	1.0
135.06624	1.0
136.98808	1.2
139.00395	3.0
140.01199	3.0
141.01941	1.2
141.33385	0.3
151.00380	7.6
153.02003	0.6
161.04584	0.7
163.11331	0.4
168.00684	2.8
169.01440	12.2
189.78560	0.3
205.12364	0.5
207.13974	0.4
209.11865	0.5
211.02441	1.8
223.13344	0.4
227.12962	0.5
269.13995	0.7
271.04510	0.8
279.10837	1.7
297.11996	1.8
313.05618	1.1
325.90289	0.3
404.52475	0.4
483.18686	100.0
484.19055	17.8
546.26404	0.9
547.22882	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	546.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81555	0.7
59.01378	9.8
61.98836	13.8
62.42227	0.6
67.01880	0.8
67.12683	0.7
69.55221	6.6
71.01384	8.5
72.99300	0.8
73.02946	2.3
79.01920	0.8
83.01415	2.0
85.02954	3.3
87.00873	1.6
88.22544	0.7
88.98834	1.0
89.02452	7.1
93.03474	2.6
95.01394	2.1
96.02319	0.6
96.96005	0.8
97.02963	0.9
99.00896	1.1
101.02481	5.7
107.01412	5.0
109.02951	0.9
111.00879	3.7
113.02465	2.9
116.53524	0.7
116.92906	1.3
119.03500	1.9
121.02993	5.5
123.00913	9.7
124.01727	0.8
125.02465	20.1
127.00407	1.0
129.01996	0.7
131.03519	1.4
136.98856	1.0
137.02521	0.8
139.00400	16.3
139.03989	2.2
140.01213	10.0
141.01949	2.4
151.00392	4.9
151.04057	0.7
153.01936	2.2
154.02765	10.1
155.03500	5.6
161.04584	1.0
165.01939	1.0
168.00664	7.7
169.01447	31.3
169.05081	4.6
170.01833	1.3
179.05643	1.3
183.02979	8.6
191.05621	1.2
197.04527	0.9
211.02489	1.0
225.03961	1.0
233.04597	2.2
262.68317	0.7
275.02042	0.9
285.06064	1.0
295.10336	4.0
296.10669	4.1
297.06229	1.6
297.10956	0.9
301.00055	1.4
313.05688	5.8
313.11145	1.0
327.07388	3.4
355.12439	1.9
356.12814	2.7
465.21481	0.7
483.11438	100.0
484.11789	14.1
546.19135	2.0
547.10101	1.3
547.17377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79655	1.5
52.88295	1.7
57.45336	1.3
59.01387	7.7
61.98829	11.7
67.27668	1.2
69.42796	13.5
71.01385	6.2
76.84299	1.5
77.01748	1.5
85.02944	2.0
87.00902	3.5
89.02435	1.6
93.03467	2.4
95.01404	3.5
96.96021	2.1
97.02991	1.8
101.02473	3.4
104.23686	1.2
107.01421	4.7
111.00912	4.0
113.02492	2.9
116.92883	1.5
121.03004	3.6
123.00903	10.5
124.01706	2.9
125.02470	79.0
125.41823	1.6
126.02763	2.9
135.04552	2.0
137.02481	3.2
139.00400	7.6
139.04044	15.2
140.01196	7.6
145.03006	1.7
147.75572	1.4
151.00378	7.0
151.04044	2.2
153.01913	1.5
159.04607	1.8
161.02496	1.8
163.04065	1.5
166.99808	1.4
167.03477	4.0
168.00677	14.4
169.01448	100.0
169.05087	32.0
170.01758	4.1
175.02446	1.7
175.03946	2.0
177.01912	2.2
179.03624	2.0
181.14433	1.3
183.03018	3.5
191.03456	3.3
193.01385	7.6
201.01886	3.4
203.03548	3.6
211.02478	36.4
217.01337	1.5
229.01414	4.2
236.17354	1.4
241.03604	3.0
245.00905	1.9
248.03154	1.8
248.97168	1.4
249.04074	4.8
251.03506	1.5
257.00946	2.5
271.04565	37.8
275.01917	7.9
287.07504	2.6
289.07367	2.0
300.99896	23.4
313.05658	20.2
331.06705	8.9
331.10425	4.6
342.48050	2.2
391.49078	1.5
397.75723	1.6
439.09015	12.0
440.09628	2.4
445.32645	1.8
473.03476	2.2
483.07941	88.7
484.07114	8.9
487.03397	2.1
502.03903	16.8
529.04352	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	546.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47385	0.3
59.01381	3.4
61.98831	4.8
67.01910	0.8
69.03472	1.0
71.01381	3.7
71.70795	0.5
72.99329	1.4
73.02969	0.6
75.00887	0.4
81.03491	0.4
83.01399	0.6
85.02984	2.3
87.00893	1.4
88.98835	1.0
89.02473	1.3
91.19509	0.4
93.03480	2.4
95.01401	1.0
96.96060	0.5
97.02969	1.3
99.00863	0.8
99.92596	0.4
101.02478	1.5
107.01361	1.9
109.03003	0.5
111.00906	1.0
113.02473	1.9
116.92892	2.2
119.03555	0.5
120.99650	0.4
121.02952	3.5
123.00900	3.3
123.04550	0.7
124.01717	0.8
125.02464	58.4
126.02791	2.1
127.00346	0.4
131.03545	0.8
137.02519	0.6
139.00391	1.7
140.01137	0.7
141.01942	0.7
145.03001	0.5
149.04588	0.4
151.00427	2.3
151.04007	0.5
154.02765	0.8
155.03540	0.5
161.04565	0.6
163.04094	0.5
167.03485	1.1
168.00641	2.7
169.01440	100.0
170.01761	4.4
172.87286	0.3
173.04514	0.4
175.02498	0.5
191.03941	0.5
191.05649	3.1
193.01393	0.5
201.01915	0.4
211.02422	1.2
221.11829	0.8
231.02881	0.6
241.03465	0.8
249.03908	0.4
271.04492	0.4
275.01859	1.4
276.02356	0.4
293.69250	0.4
300.99872	3.6
302.00082	0.7
313.05652	23.5
314.05927	2.1
331.06665	2.1
373.09573	0.5
429.12244	1.2
457.52036	0.6
473.03299	0.5
483.07574	60.7
484.07895	6.8
485.01251	0.5
510.02859	1.4
511.13977	0.4
545.25867	0.5
545.88971	0.4
546.18237	0.4
547.16394	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	545.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03445	1.4
58.00595	0.6
59.01381	15.0
61.98835	11.9
67.72262	0.3
68.04501	0.3
69.03459	1.2
70.50446	0.3
71.01384	12.2
71.70904	0.5
72.01706	0.4
72.83324	0.3
72.99306	0.9
73.02952	2.1
75.00880	0.5
75.49340	0.3
81.03482	0.7
82.31037	0.3
83.01383	1.6
83.05029	1.3
84.02199	0.5
85.02964	3.6
87.00872	1.4
89.02454	10.9
95.01400	1.0
96.96006	0.7
97.02951	3.7
97.06612	0.7
98.03310	0.3
99.00887	1.1
101.02455	11.5
103.04002	0.4
107.05070	0.4
109.02936	0.4
109.06593	0.6
111.08173	14.5
112.08524	0.4
113.02464	5.9
114.02828	0.3
119.03510	3.4
119.04958	0.3
121.10207	0.3
123.08228	0.7
125.02460	1.3
125.09750	1.5
127.07671	0.4
129.01923	0.4
131.03513	0.7
137.09721	1.3
139.11346	0.5
141.12791	0.4
143.03531	1.0
149.04605	0.5
151.11290	0.7
153.09216	0.5
153.12875	1.7
161.04585	5.5
163.11267	0.8
165.12875	2.3
167.10753	0.4
169.12367	4.8
170.12636	0.4
171.10289	2.5
179.05595	2.1
179.10796	0.5
179.14418	0.4
181.12393	1.6
183.13933	0.8
185.11922	0.7
193.12332	1.0
193.15994	0.7
197.11844	62.9
198.12204	4.4
199.13387	4.3
201.11343	0.5
209.11806	1.7
211.13416	8.0
212.13754	0.6
225.11526	0.4
227.12868	3.0
228.13248	0.4
235.08252	0.7
247.20689	2.0
253.09285	44.8
254.09608	2.8
259.88379	0.3
263.20078	3.0
265.18063	2.1
273.18625	2.2
291.19659	33.0
292.19955	4.2
309.20718	100.0
310.21042	12.5
348.21866	0.3
383.24536	0.5
421.80630	0.3
433.21039	0.5
456.26837	0.3
527.28290	0.6
545.29620	4.7
546.30066	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55804	0.3
55.01888	1.1
57.03453	1.4
58.00578	2.7
59.01378	100.0
60.01717	1.0
61.98833	19.1
66.28310	0.4
69.03470	0.7
71.01383	40.9
71.72160	0.4
72.01708	0.7
72.99320	3.4
73.02959	4.1
79.72304	0.3
83.01393	3.0
85.02956	9.1
85.75213	0.3
87.00890	2.6
89.02452	63.0
90.02804	0.7
93.03510	0.5
95.00845	0.4
95.01379	2.0
96.96028	0.6
97.02947	0.7
99.00896	3.1
101.02452	31.1
108.02182	0.9
109.02985	0.6
113.02462	14.5
114.02789	0.6
117.61726	0.4
119.03516	16.2
125.02437	1.6
125.09679	0.5
129.01941	1.3
131.03520	48.4
132.03845	0.9
133.06898	0.4
143.03529	4.7
149.04573	23.4
150.04881	0.9
152.01173	0.4
161.04567	6.3
169.01346	0.5
179.04063	0.8
179.05626	16.0
180.05984	0.4
189.95355	0.4
191.05629	14.4
192.05933	0.6
197.11612	0.5
209.11771	0.5
210.15059	0.4
221.06598	0.8
225.11313	1.0
228.97057	0.4
251.07629	1.2
251.16353	0.8
293.08737	0.7
309.20944	0.8
311.09714	1.0
314.97855	0.6
315.07101	0.7
353.19699	23.2
354.20038	2.0
485.23911	28.5
486.24210	3.2
527.28424	0.6
545.18909	0.7
545.27460	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
57.03451	1.1
58.00600	4.0
58.00859	0.7
58.30431	0.6
59.01380	100.0
60.01728	0.8
61.98831	14.3
69.03468	0.8
71.01386	46.8
71.05043	0.6
72.99314	3.4
73.02954	4.6
83.01395	2.9
85.02957	8.0
87.00893	1.8
89.02454	88.4
89.43172	0.6
90.02792	1.3
96.96024	0.9
97.03008	0.6
99.00891	4.7
101.02457	40.6
113.02466	11.6
119.03513	7.1
125.02464	2.3
129.01970	2.7
131.03520	61.2
132.03850	1.6
143.03545	1.9
149.04573	95.2
150.04921	2.4
161.04549	2.3
173.04591	1.0
179.05646	2.7
191.05637	41.6
192.05914	1.3
211.13403	6.0
221.06705	6.4
239.07724	0.9
251.07736	5.7
251.16493	1.4
253.09213	2.3
263.07697	0.8
281.08780	1.3
291.19675	6.0
293.08844	1.1
309.20615	1.3
311.09857	6.4
353.19632	1.0
485.23886	2.5
527.28467	1.8
545.28583	2.1
546.28387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03445	1.4
58.00595	0.6
59.01381	15.0
61.98835	11.9
67.72262	0.3
68.04501	0.3
69.03459	1.2
70.50446	0.3
71.01384	12.2
71.70904	0.5
72.01706	0.4
72.83324	0.3
72.99306	0.9
73.02952	2.1
75.00880	0.5
75.49340	0.3
81.03482	0.7
82.31037	0.3
83.01383	1.6
83.05029	1.3
84.02199	0.5
85.02964	3.6
87.00872	1.4
89.02454	10.9
95.01400	1.0
96.96006	0.7
97.02951	3.7
97.06612	0.7
98.03310	0.3
99.00887	1.1
101.02455	11.5
103.04002	0.4
107.05070	0.4
109.02936	0.4
109.06593	0.6
111.08173	14.5
112.08524	0.4
113.02464	5.9
114.02828	0.3
119.03510	3.4
119.04958	0.3
121.10207	0.3
123.08228	0.7
125.02460	1.3
125.09750	1.5
127.07671	0.4
129.01923	0.4
131.03513	0.7
137.09721	1.3
139.11346	0.5
141.12791	0.4
143.03531	1.0
149.04605	0.5
151.11290	0.7
153.09216	0.5
153.12875	1.7
161.04585	5.5
163.11267	0.8
165.12875	2.3
167.10753	0.4
169.12367	4.8
170.12636	0.4
171.10289	2.5
179.05595	2.1
179.10796	0.5
179.14418	0.4
181.12393	1.6
183.13933	0.8
185.11922	0.7
193.12332	1.0
193.15994	0.7
197.11844	62.9
198.12204	4.4
199.13387	4.3
201.11343	0.5
209.11806	1.7
211.13416	8.0
212.13754	0.6
225.11526	0.4
227.12868	3.0
228.13248	0.4
235.08252	0.7
247.20689	2.0
253.09285	44.8
254.09608	2.8
259.88379	0.3
263.20078	3.0
265.18063	2.1
273.18625	2.2
291.19659	33.0
292.19955	4.2
309.20718	100.0
310.21042	12.5
348.21866	0.3
383.24536	0.5
421.80630	0.3
433.21039	0.5
456.26837	0.3
527.28290	0.6
545.29620	4.7
546.30066	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	543.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03450	2.1
58.00599	0.6
59.01380	100.0
60.01721	1.1
61.98833	30.4
62.98521	0.3
65.60978	0.3
69.03458	0.6
71.01386	24.1
71.05025	0.4
71.76495	0.3
72.01734	0.3
72.99328	1.0
73.02952	6.9
75.00880	0.6
79.63657	0.3
81.03449	0.5
83.01390	3.0
83.05043	0.9
85.02958	10.9
87.00869	2.5
87.04577	0.3
88.98827	0.5
89.02454	6.5
95.01397	1.4
96.96032	0.8
97.02978	1.1
99.00885	2.8
101.02458	14.2
101.06118	0.4
111.00964	0.3
111.04557	1.0
113.02467	9.9
114.02837	0.3
119.03509	0.6
121.06721	0.3
123.00896	0.4
123.04602	0.3
123.83121	0.3
125.02467	3.1
129.02007	0.5
129.05598	0.4
129.35944	0.3
131.03516	6.3
135.08246	0.3
137.02461	0.8
139.07693	0.3
141.02014	0.4
141.09296	0.3
143.03528	2.0
149.04657	1.3
151.00449	0.3
151.07736	0.5
153.01926	0.4
159.03023	2.2
161.04579	17.8
162.05005	0.6
165.12854	0.4
169.01550	0.7
169.12415	0.4
177.01886	0.3
183.14005	0.4
189.12909	0.4
205.03635	0.3
207.13942	0.3
209.11781	0.5
224.85786	0.3
247.86063	0.3
248.86699	1.8
249.15021	0.5
293.08929	1.1
293.12549	0.8
351.18100	5.4
352.18631	0.5
399.11493	0.3
445.61191	0.3
481.31808	0.3
483.22580	4.3
483.29517	28.1
484.22995	0.6
484.29941	4.4
499.32678	1.5
500.33325	0.3
505.19864	0.3
507.35681	1.4
542.96472	0.6
543.24615	3.4
543.32855	17.5
544.25153	0.3
544.33441	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	544.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54271	0.2
59.01378	1.9
61.98832	100.0
62.98536	0.3
71.01408	0.2
71.71885	0.3
96.96021	0.3
97.52023	0.2
140.36119	0.3
152.18817	0.2
165.12874	0.2
168.08540	0.2
183.13983	0.4
184.14243	0.3
191.68298	0.2
197.11929	0.2
209.11795	0.5
210.12119	0.2
253.09338	0.3
291.19601	0.4
302.17236	0.2
309.20743	0.6
512.29535	0.3
544.32703	0.3
545.29901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
64.18264	0.7
64.80116	0.8
66.27701	0.7
67.01879	0.8
69.53199	2.9
69.53631	2.6
71.05029	7.1
81.03471	2.9
83.05025	3.9
85.02972	5.2
87.96674	0.6
97.06615	1.6
98.00091	0.7
99.00913	1.3
111.00906	2.9
112.46490	0.7
125.02460	32.2
125.09740	0.9
126.02806	0.8
128.87885	1.5
129.01959	4.3
147.17810	0.6
261.94061	0.7
267.26987	2.4
351.32642	8.3
352.33121	1.4
393.30151	3.1
393.37714	1.5
395.31671	67.0
396.31992	11.0
409.15295	1.0
481.35297	3.3
534.25128	0.7
544.20477	1.0
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
51.70317	0.5
54.73459	0.5
55.01873	1.7
57.03458	4.0
58.00598	1.3
59.01380	100.0
60.01718	2.0
61.92729	0.5
61.98832	29.1
65.26345	0.4
67.01879	0.8
69.03452	0.9
69.63625	4.2
71.01385	35.1
71.05026	0.8
72.01716	0.6
72.97706	0.4
72.99312	3.1
73.02952	18.1
74.46202	0.5
75.00880	0.9
78.98658	0.5
80.96535	1.0
81.03473	0.6
83.01396	6.1
83.05048	1.7
85.02959	15.1
87.00891	3.3
87.04538	1.0
89.02453	11.4
93.03484	1.1
95.01389	3.4
95.05074	0.6
96.96047	1.7
97.02983	1.3
99.00888	3.6
99.04543	1.0
101.02456	29.1
101.06092	0.5
102.02783	0.6
102.22877	0.4
102.31847	0.5
103.04045	2.0
107.01428	1.3
107.05048	0.8
108.02179	2.5
109.03008	2.5
109.06591	0.6
111.00920	1.7
111.04572	1.5
113.02465	16.7
113.03230	1.0
114.02798	0.8
114.65524	0.5
119.03526	3.6
121.02978	0.8
122.03795	0.6
123.00891	5.0
123.04552	1.3
123.08176	0.7
124.01682	0.8
125.02475	8.2
125.06182	0.6
127.00427	0.9
128.00229	0.5
129.01993	0.7
131.03522	13.2
135.04567	0.8
136.98897	0.6
137.02483	1.7
137.06026	0.7
137.09735	0.6
139.00417	1.4
140.01176	0.9
141.02094	0.6
143.03558	2.1
149.04619	1.0
149.70628	0.4
149.99686	0.9
150.03221	0.8
151.00385	2.5
151.07683	2.2
152.01184	3.5
153.01979	2.0
153.05525	0.7
155.10869	0.6
159.03056	3.2
161.02528	0.9
161.04576	21.6
161.09778	0.9
161.13402	0.7
162.04848	1.0
163.11345	1.0
165.05650	1.1
167.07124	2.4
168.00647	4.0
169.01454	6.8
170.01743	0.7
179.05688	2.1
179.14505	0.5
183.10324	0.6
185.11961	0.7
187.11322	1.1
189.09245	0.6
191.05592	0.6
201.11462	0.7
203.10922	0.7
205.03542	1.1
205.12349	2.7
207.10272	3.6
211.02586	0.8
223.13377	4.1
231.08818	0.6
243.12381	0.6
249.11252	1.2
267.12476	1.5
275.02710	0.5
275.07721	7.0
276.08362	0.7
293.08820	4.4
321.24466	1.1
335.09818	4.1
350.22968	0.5
369.15802	1.1
429.17740	0.9
481.16986	0.6
481.32169	1.7
483.29636	82.4
484.29977	14.5
484.36472	0.7
499.33121	2.2
543.24762	28.0
544.24414	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	543.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53335	0.2
57.03442	0.9
59.01379	100.0
60.01713	1.4
61.98829	18.5
63.99244	0.2
67.01913	0.3
69.03475	0.4
71.01389	6.9
71.05032	0.6
71.67647	0.3
71.68020	0.4
72.83378	0.2
72.99329	0.7
73.02952	3.9
79.95764	0.3
80.96525	2.8
83.01408	1.2
83.05044	0.7
85.02963	3.3
85.06610	0.3
87.00883	1.8
87.04517	0.3
88.98840	0.6
89.02448	2.1
93.03471	0.6
94.98097	0.7
95.01409	1.0
95.05032	0.5
96.96032	0.7
97.02979	0.6
97.06600	0.7
99.00905	0.9
99.04563	0.5
101.02455	4.6
101.06121	0.3
107.01405	0.5
107.05053	0.4
108.02167	2.5
109.03044	1.5
109.06616	0.4
110.03327	0.6
111.00895	0.7
111.04572	0.7
113.02449	3.3
113.03133	0.3
113.06093	0.5
119.03545	0.5
120.05884	0.3
121.02963	0.4
121.06593	0.4
122.03753	0.4
123.00921	2.0
123.04545	0.6
123.08200	0.4
124.01704	0.4
125.02473	3.7
125.06126	0.2
125.09778	0.5
127.04009	0.2
127.07711	0.5
131.03517	1.8
135.04576	0.5
135.08209	0.4
136.05318	0.6
137.02473	0.8
139.00412	1.1
139.04037	0.2
139.07726	0.3
139.11278	0.4
140.01173	1.9
141.05661	0.3
141.09203	0.2
143.03554	0.5
143.10789	0.2
145.02983	0.2
149.02525	0.3
149.06122	0.4
150.03278	0.8
151.00394	1.4
151.04060	0.3
151.07642	2.8
152.01183	2.6
153.01965	1.7
153.05580	0.3
153.09274	0.3
154.01613	0.3
155.03484	0.5
161.04572	4.0
161.05867	0.4
161.09763	1.2
161.13391	0.3
162.99127	0.2
163.04070	0.5
163.11353	0.3
164.04793	0.3
164.98665	0.4
165.05563	1.7
166.05093	0.4
166.06375	0.3
167.07135	2.8
168.00658	0.7
169.01459	3.2
170.01799	0.3
179.05600	0.3
187.11356	1.8
189.09268	0.6
202.44778	0.3
205.12402	0.8
207.10258	0.6
211.02426	0.3
211.13434	0.5
217.14523	0.3
223.13368	0.2
225.00816	0.8
225.11186	0.3
233.11919	0.3
234.09019	0.4
249.11377	0.9
249.15059	0.3
254.75760	0.2
267.12369	0.5
293.09036	0.5
293.12268	0.3
398.41791	0.2
480.11441	0.4
481.17041	0.4
481.32083	0.9
482.32288	0.3
483.29648	7.5
484.29773	1.4
499.33475	2.3
500.33368	0.3
525.19208	0.5
543.21411	12.8
543.31946	1.5
544.21765	2.7
544.32556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10921	0.2
54.02570	0.2
55.01874	0.3
57.03445	0.3
58.00613	0.2
59.01379	100.0
60.01709	1.5
60.62022	0.2
61.98832	16.0
69.03461	0.2
71.01385	5.4
71.69873	0.3
72.99331	0.5
73.02943	2.1
75.00889	0.5
79.01916	0.2
80.91724	0.2
81.03478	0.3
82.20565	0.2
83.01376	1.0
83.05041	0.2
85.02956	2.5
87.00901	0.7
87.04485	0.3
89.02456	1.3
93.03490	0.7
95.01408	0.6
95.05036	0.2
96.96041	0.4
97.02995	0.2
97.06604	0.2
99.00903	1.0
99.04559	0.3
100.74097	0.2
101.02461	3.5
107.01421	0.6
107.05064	0.3
108.02215	0.5
109.03009	0.7
109.06638	0.2
111.00887	0.9
111.04609	0.3
113.02461	2.6
115.03975	0.2
119.03530	0.5
120.99665	3.7
121.02991	0.5
122.00069	0.3
122.99268	3.4
123.00085	0.4
123.00871	1.8
123.04540	0.9
124.01699	0.2
125.02471	3.7
126.02837	0.3
131.03543	0.3
133.03024	0.2
135.04578	0.6
136.98814	0.3
137.02486	0.7
139.00447	0.6
143.03560	0.3
143.07133	0.2
146.01169	0.2
149.02502	0.4
149.04593	0.5
150.03296	0.3
151.00366	0.9
151.04095	0.2
152.01060	0.3
153.01984	0.7
153.05630	0.2
159.03041	0.7
161.02513	0.3
161.04582	4.3
161.05844	0.4
163.04070	0.5
164.04869	0.2
164.72559	0.2
165.01950	0.4
165.05669	0.7
167.03510	0.3
168.00731	0.7
169.01448	4.3
170.01837	0.3
179.03557	0.2
179.05728	0.3
179.07187	0.4
191.05597	0.2
195.06696	0.4
195.10352	0.2
205.03464	0.2
208.86026	0.2
211.02480	0.2
227.12979	0.2
229.08807	0.6
233.76454	0.2
271.04663	0.2
275.02133	0.3
300.99988	0.3
313.05923	0.6
337.20801	0.2
346.17517	0.2
347.11469	0.2
391.19797	0.3
465.86298	0.2
481.17111	0.9
483.29623	9.2
484.30109	1.1
495.19757	0.5
507.20340	0.4
525.20135	0.2
527.28778	0.2
543.15118	1.8
543.23895	3.7
543.31970	2.2
544.15192	0.4
544.23749	0.7
544.32184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03452	1.3
59.01380	100.0
60.01712	0.9
61.98829	10.3
69.03467	0.3
71.01386	13.2
71.24952	0.4
71.25285	0.5
72.99306	0.6
73.02952	4.3
83.01401	1.8
85.02959	6.6
87.00896	1.0
89.02464	3.2
95.01424	1.5
97.02960	0.7
99.00883	1.9
99.04510	0.3
101.01772	0.5
101.02451	9.5
104.06377	0.3
113.02457	5.8
119.03492	0.4
125.02466	1.6
131.03520	2.2
137.02328	0.3
143.03473	0.6
149.04590	0.6
159.03000	1.7
161.04567	11.0
162.04890	0.4
166.99155	0.3
188.46361	0.3
293.08740	0.4
351.14148	0.4
351.17999	2.0
389.14981	0.3
403.74628	0.4
483.22665	1.5
483.29581	33.9
484.23029	0.6
484.29892	4.8
507.35818	0.7
542.96637	0.4
543.25037	0.9
543.32654	14.2
544.32825	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
57.03445	0.4
59.01374	3.9
61.98829	5.9
68.99806	0.4
69.03462	0.5
70.85529	0.5
71.01385	1.4
72.32402	0.5
73.02943	0.4
80.02680	0.7
81.03468	1.2
82.50378	0.5
83.01401	1.3
83.05037	4.1
84.02157	0.8
85.02935	0.7
95.05074	0.5
96.96021	1.2
97.06597	1.1
101.02457	0.8
111.08165	1.0
113.02444	0.5
125.02423	0.5
125.06123	0.6
125.09709	2.0
125.72671	0.4
135.08157	0.6
142.62350	0.4
157.08601	0.5
161.04608	0.7
163.11305	4.7
165.12854	9.5
165.14095	0.7
166.13231	0.5
169.12373	1.1
181.12349	0.6
183.13911	100.0
184.14273	6.9
191.10796	1.3
209.11833	70.2
210.12167	5.5
211.13446	0.8
225.11526	0.5
227.12894	19.7
228.13219	1.4
283.15579	0.9
301.16614	7.2
302.16824	0.6
393.26471	1.6
411.27792	0.7
453.28528	1.0
467.30096	2.2
471.34708	1.4
493.28079	1.0
511.29077	35.7
512.29474	7.0
543.32654	2.1
544.32190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
57.03450	0.9
59.01379	12.4
61.98832	11.2
67.01887	1.0
68.99823	0.5
69.03463	0.9
69.48756	2.9
71.01386	6.0
72.99318	1.1
73.02965	1.5
75.00874	0.3
78.95911	1.9
79.01911	1.0
80.96514	0.4
81.03479	0.4
83.01396	1.6
83.05013	0.3
85.02971	2.5
87.00878	1.5
88.98791	0.4
89.02450	2.2
92.40000	0.3
95.01398	2.3
96.58257	0.3
96.96042	0.4
97.02968	1.1
97.06599	0.4
98.19892	0.5
99.00907	0.8
101.02461	3.8
107.01422	3.6
108.02192	0.9
109.02946	0.9
110.00117	0.3
111.00885	3.0
111.04559	0.6
113.02456	2.3
117.80145	0.3
119.03501	0.5
119.05071	0.7
119.55061	0.3
121.02963	0.7
123.00905	15.3
123.04523	0.5
124.01660	1.0
125.02460	16.2
126.02824	0.4
127.00405	0.9
135.04611	0.4
136.98843	1.4
137.02484	1.3
139.00391	4.1
139.03987	0.5
139.54709	0.3
140.01190	3.2
141.02000	2.4
149.02496	0.4
150.03278	0.6
151.00391	11.4
151.04042	0.5
151.07678	1.0
152.00964	0.3
152.99614	0.5
153.01985	1.5
161.04581	0.7
163.04027	0.8
165.05583	1.1
165.12857	0.9
166.99866	0.3
167.03419	0.3
168.00677	3.8
169.01443	20.2
170.01793	1.1
179.03618	0.4
181.05040	0.4
183.13936	2.9
209.11845	0.6
211.02460	1.7
225.00737	0.3
225.14981	0.4
227.12917	3.6
269.13940	0.6
271.04581	1.8
287.14981	1.2
307.18909	0.3
313.05661	1.2
389.18118	0.3
464.32376	0.4
481.17230	0.6
525.19989	0.4
526.47766	0.3
543.24512	100.0
544.24878	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	543.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07283	0.2
55.01880	0.6
57.03455	0.9
59.01380	9.1
60.01740	0.3
61.98832	10.0
67.01894	0.9
69.03465	0.8
69.71230	1.3
69.71660	0.8
71.01389	4.6
72.99330	1.1
73.02950	2.3
79.01918	1.0
80.96535	0.8
81.03482	0.5
83.01391	1.7
85.02966	2.5
86.00112	0.2
86.05923	0.3
87.00900	1.0
87.04543	0.6
89.02448	1.9
93.03475	0.6
95.01399	2.2
96.96040	0.4
96.99361	0.3
97.02978	0.8
99.00924	0.5
101.02460	3.5
107.01403	3.5
107.05085	0.3
108.02209	1.3
109.03027	1.8
109.06575	0.3
110.00135	0.5
111.00889	3.7
111.04517	0.3
113.02452	4.7
119.03536	0.4
119.05099	0.4
120.99694	0.3
121.02999	0.5
122.03787	0.3
123.00901	16.1
123.04533	0.4
124.01669	1.0
125.02463	16.5
126.02828	0.5
127.00404	0.9
131.03516	0.4
135.04544	0.7
136.10477	0.3
136.98813	1.5
137.02478	1.9
137.06145	0.3
139.00394	4.9
140.01173	4.4
140.02174	0.3
141.01971	2.2
150.03294	0.9
150.99168	0.6
151.00386	11.8
151.04005	0.6
151.07716	1.2
151.08806	0.2
152.01022	0.5
152.98663	0.3
153.01997	0.9
154.99837	0.5
161.04570	0.8
161.09769	0.3
163.04085	0.8
163.11308	0.3
165.05499	1.3
167.03503	0.4
168.00650	3.8
169.01448	20.7
170.01834	1.0
179.07222	0.3
181.05098	0.6
187.11279	0.4
195.06731	0.4
211.02573	0.7
223.13530	0.8
227.12914	0.7
228.13268	0.4
267.12311	1.4
267.21326	0.3
271.04709	0.6
313.05667	0.8
316.09894	0.3
327.10843	0.4
339.14288	0.3
345.13403	0.4
369.15640	0.9
391.19592	1.3
429.17859	0.7
443.25076	0.3
481.17441	0.4
499.21378	0.6
499.33319	0.5
525.20544	0.3
543.24548	100.0
544.24921	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	543.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
57.03436	1.9
59.01381	41.8
61.98833	34.6
67.01880	1.8
68.99791	0.6
69.03468	0.7
71.01382	11.5
71.73590	0.9
72.99297	1.2
73.02950	14.7
75.00858	0.6
78.95895	0.9
79.01909	1.4
82.00655	0.6
83.01392	14.6
83.04996	1.1
85.02959	5.1
85.06633	0.6
87.00863	2.9
87.04491	0.8
88.72550	0.6
88.98806	0.7
89.02449	3.2
93.03455	1.5
93.34736	0.7
95.01398	4.1
97.02985	1.1
97.06577	1.4
99.00868	1.8
99.04550	1.6
101.02451	10.3
101.05998	0.7
107.01389	4.6
108.02206	1.4
109.02927	1.4
109.06575	1.0
111.00900	46.5
111.04484	1.1
111.08180	0.9
112.01169	0.8
113.02468	4.5
113.06081	1.5
115.04028	1.0
119.03474	0.9
119.04961	0.9
123.00894	21.9
123.04524	0.8
124.01612	2.2
125.02461	24.8
126.02792	1.0
127.00336	1.3
135.04498	0.7
136.98787	1.8
137.02415	1.8
138.39754	0.6
139.00374	8.3
139.11310	0.8
140.01205	4.7
141.01900	2.3
141.09161	0.8
143.03476	0.9
149.02391	1.2
150.03185	1.7
151.00385	13.9
151.03989	1.1
152.01060	0.7
153.01891	2.3
155.03548	0.8
159.03032	0.8
161.04506	2.0
161.09718	0.7
163.03978	1.2
165.05499	2.0
165.12926	0.7
167.10776	3.3
168.00690	5.1
169.01443	25.4
170.01784	1.5
179.03539	0.8
179.07202	1.0
180.07477	0.9
181.05061	1.2
181.07645	0.9
183.10156	0.6
195.06622	1.6
207.13875	1.6
209.04250	0.7
209.11827	4.1
211.02406	0.9
211.13347	1.9
225.14948	5.9
227.12888	19.0
228.13170	1.6
229.14502	1.1
251.12859	1.4
258.01926	0.6
269.13956	5.3
271.04666	1.6
287.15009	16.0
288.15329	0.7
293.08734	0.8
311.14917	1.6
313.05600	1.9
317.10306	4.0
329.16208	1.5
353.15942	1.0
371.17004	3.2
373.18655	10.7
374.19052	0.9
383.17160	0.8
431.19257	6.9
432.19394	0.8
481.16989	17.1
483.25098	0.9
497.20319	4.4
501.19699	2.4
507.19608	0.8
525.19757	49.4
526.20056	7.2
543.20636	100.0
544.20905	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	543.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51966	0.5
59.01378	4.2
60.99308	12.7
61.98831	4.1
66.13936	0.6
67.01900	0.6
70.97057	0.6
71.01385	5.6
71.74454	0.7
72.99323	0.9
73.02949	1.0
74.99118	1.1
75.00864	0.5
75.53492	0.5
76.98630	0.5
78.95914	0.7
79.01876	0.6
83.01396	1.2
85.02956	2.4
87.00895	2.1
88.98817	81.0
89.02441	2.0
89.99149	0.7
93.03479	0.9
95.01395	1.0
96.96030	1.8
96.97020	0.8
97.02946	1.0
99.00861	1.5
101.02461	3.7
107.01423	3.5
109.02984	1.1
111.00894	1.8
113.02464	1.6
116.92842	0.9
119.05022	1.1
120.99654	2.4
121.02991	0.7
123.00905	9.3
124.01692	9.5
125.02471	21.3
127.00407	0.7
133.06599	1.4
136.98956	1.4
137.02484	2.7
139.00385	3.1
139.04031	4.9
140.01160	2.1
141.01949	1.7
149.02394	0.7
151.00414	5.3
151.04045	1.4
153.01949	1.0
161.04695	0.8
161.06085	2.4
163.04121	1.1
165.01955	9.9
166.99826	0.9
167.03586	0.7
168.00674	4.7
169.01448	28.4
170.01794	1.3
179.03474	0.7
179.05765	0.7
180.04324	6.4
183.03011	5.6
195.06636	16.7
196.06825	0.7
205.05066	3.0
211.02467	1.2
225.04041	1.3
243.08685	1.9
253.03455	0.6
271.04520	1.1
285.06186	0.7
297.06262	1.3
300.99844	0.9
313.05704	6.8
314.05762	0.7
327.07397	2.2
345.10028	0.7
351.20526	1.3
441.15970	0.8
453.10382	100.0
454.04871	1.0
454.10742	11.1
466.20349	0.5
543.08179	1.0
543.17316	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	542.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03049	0.1
56.71347	0.1
57.03446	0.1
58.09262	0.1
59.01380	2.3
60.99318	0.2
61.98833	100.0
62.98535	0.2
63.99280	0.1
70.25368	0.1
71.01395	0.9
73.02963	0.4
83.01401	0.1
83.05069	0.1
85.02981	0.4
87.00909	0.3
87.50613	0.1
88.98813	1.1
89.02469	0.6
96.96034	0.1
98.20627	0.2
99.00906	0.1
101.02465	0.7
107.01414	0.1
107.05042	0.1
108.02182	0.6
109.03052	0.5
109.06622	0.2
110.02544	0.2
110.03325	0.2
110.27055	0.1
111.04565	0.1
111.08192	0.1
113.02477	0.4
116.92789	0.1
119.03554	0.2
123.08231	0.1
125.02495	0.5
127.07649	0.2
130.08710	0.1
131.03525	0.3
137.02429	0.1
152.01134	0.5
153.01907	0.4
161.04607	0.1
161.09763	0.1
169.01488	0.4
169.45387	0.1
173.08267	0.2
183.13985	0.1
187.11264	0.2
205.12315	0.1
223.13397	0.1
229.76346	0.1
243.16037	0.1
247.01579	0.1
250.17073	0.1
275.07645	0.2
293.09003	0.1
479.24509	0.1
482.34113	0.1
483.30157	0.2
499.32718	0.1
542.23138	1.4
543.21753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62329	0.4
56.99908	0.4
59.01381	100.0
60.01720	1.3
61.98832	7.1
69.03476	0.5
71.73252	1.0
83.05033	1.0
83.31782	0.4
89.35468	0.4
96.96042	1.1
119.32320	0.4
160.19026	0.5
161.94240	0.5
163.11327	0.9
165.12947	0.8
169.12389	1.8
171.10321	1.8
197.11841	40.8
198.12231	2.8
202.74767	0.5
205.05655	0.5
209.11832	26.3
210.12222	1.9
227.12892	3.3
307.22858	3.2
359.26508	0.5
445.26202	0.6
463.26877	0.6
505.35382	2.1
541.32135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96974	0.4
55.58368	0.4
59.01379	13.1
61.98832	100.0
71.01379	3.5
73.02958	2.9
75.00875	0.6
83.01400	0.6
83.04996	0.6
85.02969	1.9
87.00877	0.8
87.04535	0.5
88.98813	1.8
89.02479	1.3
93.03486	0.5
96.96048	1.2
97.02984	1.0
98.20626	1.3
101.02422	2.5
109.02929	0.5
113.02459	1.7
117.07117	0.9
118.90049	0.4
120.96301	0.5
123.00887	0.6
124.01730	1.2
125.02457	4.4
125.09708	0.8
127.07667	0.8
137.02510	0.6
139.00388	5.0
139.80061	0.4
143.03581	0.6
149.99617	1.4
151.00407	1.3
153.01976	1.1
154.02728	5.2
155.03392	0.5
157.60251	0.6
161.04590	0.8
161.09776	0.4
168.00661	2.3
168.04332	0.7
169.01447	4.4
169.05081	4.3
179.56035	0.5
183.13930	2.3
207.10294	0.5
221.15395	0.5
227.13046	1.0
235.21062	0.5
251.16609	0.6
287.16660	0.7
293.14011	1.2
305.17859	0.5
307.22809	0.9
423.27496	0.6
479.30511	2.3
481.28308	0.8
497.30930	2.3
498.31662	0.5
505.33768	4.8
506.34192	1.0
523.25665	1.7
541.23242	9.5
541.31781	24.6
542.24036	0.9
542.31805	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	541.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03435	0.5
59.01382	3.9
61.98835	3.2
67.01885	0.6
69.03465	0.5
69.46124	2.2
71.01389	3.0
71.67484	0.2
72.99291	0.4
73.02950	0.9
79.01891	0.8
81.03467	0.3
83.01395	0.9
85.02959	1.5
87.00880	0.8
88.98814	0.7
89.02438	1.3
93.03477	0.2
95.01399	1.6
97.02953	0.6
98.41707	0.2
99.00883	0.5
101.02465	2.1
107.01408	3.1
109.02967	0.5
111.00915	1.9
113.02472	1.3
119.03541	0.3
120.99674	0.5
121.03004	0.2
122.99366	0.4
123.00900	12.0
123.04502	0.4
124.01762	1.2
125.02460	13.4
126.02740	0.4
127.00364	0.7
131.03514	0.3
135.04590	0.3
136.98833	1.0
137.02438	1.8
139.00400	3.1
139.07628	0.4
139.17271	0.2
140.01183	2.4
141.01961	1.6
149.04594	0.2
150.03198	0.5
151.00394	9.3
152.00854	0.3
153.01915	1.4
153.09250	0.3
155.10788	0.6
163.03999	0.4
164.04771	0.2
165.04164	0.2
165.05536	1.4
166.05965	0.3
167.03487	0.4
168.00687	2.7
169.01440	17.0
170.01762	1.0
173.11798	0.3
177.04124	0.3
179.07133	0.3
181.05020	1.6
182.05817	0.8
183.06599	1.1
191.03526	0.3
195.06764	0.3
197.04648	0.2
197.51205	0.2
209.04720	0.4
211.02504	1.8
212.02975	0.2
227.16377	0.2
237.07835	0.4
253.03516	0.4
267.10623	0.2
270.04080	0.3
271.04648	1.4
313.05469	1.5
316.02292	0.3
344.11075	0.5
399.12866	0.2
493.19870	0.5
541.22845	100.0
542.23218	16.3
542.31940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
58.00593	0.9
59.01381	13.3
61.98833	17.2
69.03450	0.5
71.01387	5.0
72.99306	0.7
73.02579	0.7
73.02954	8.8
73.88182	0.4
75.00885	5.8
81.03449	0.7
83.01395	8.2
83.05043	0.5
85.02962	1.9
87.04534	1.7
88.98811	0.6
89.02461	1.2
93.03478	1.0
95.01373	0.6
95.05051	1.0
96.95985	0.5
97.02901	0.6
97.06532	0.5
98.19889	1.0
99.00891	0.9
99.04529	0.4
101.02457	4.6
107.01397	0.7
108.02195	4.2
109.02975	4.0
109.06614	1.3
111.00919	0.6
111.08192	0.5
113.02480	1.6
121.03027	0.6
122.03761	1.3
123.00919	1.4
123.04541	93.5
124.04884	2.3
125.02454	3.0
125.06074	0.6
127.07644	1.4
135.04503	0.5
135.08214	0.7
137.02472	0.6
137.06122	0.6
137.09760	0.8
139.00395	0.5
139.07672	0.9
139.11310	7.4
151.00414	0.6
151.07709	0.8
151.11331	1.1
152.01195	3.4
153.02112	3.1
153.05592	100.0
154.05908	3.4
161.04585	1.1
163.11272	1.2
165.05484	0.7
165.09229	1.5
167.07173	0.4
167.10817	0.7
168.00603	0.9
169.01469	1.8
169.12349	2.8
179.10774	3.0
181.12349	3.1
183.10281	11.9
195.13835	1.2
197.11949	2.1
199.13409	1.0
207.10323	0.8
225.11317	12.1
226.11720	0.6
231.29201	0.5
239.12859	0.8
243.12350	9.7
245.09569	0.4
249.11343	1.6
250.11536	0.5
267.12283	1.2
271.04431	0.6
274.21698	0.5
285.13419	1.9
291.12384	1.9
305.47052	0.4
309.13312	0.8
312.99826	0.5
327.14526	2.9
328.02423	1.0
328.14685	0.5
343.04532	1.4
349.22244	1.9
387.16644	7.1
388.16663	0.5
470.72284	0.4
479.30246	0.5
481.20743	1.4
481.26779	0.9
497.20190	0.6
505.21143	0.7
523.21667	1.6
541.22864	96.2
542.23322	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	541.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03435	0.5
59.01382	3.9
61.98835	3.2
67.01885	0.6
69.03465	0.5
69.46124	2.2
71.01389	3.0
71.67484	0.2
72.99291	0.4
73.02950	0.9
79.01891	0.8
81.03467	0.3
83.01395	0.9
85.02959	1.5
87.00880	0.8
88.98814	0.7
89.02438	1.3
93.03477	0.2
95.01399	1.6
97.02953	0.6
98.41707	0.2
99.00883	0.5
101.02465	2.1
107.01408	3.1
109.02967	0.5
111.00915	1.9
113.02472	1.3
119.03541	0.3
120.99674	0.5
121.03004	0.2
122.99366	0.4
123.00900	12.0
123.04502	0.4
124.01762	1.2
125.02460	13.4
126.02740	0.4
127.00364	0.7
131.03514	0.3
135.04590	0.3
136.98833	1.0
137.02438	1.8
139.00400	3.1
139.07628	0.4
139.17271	0.2
140.01183	2.4
141.01961	1.6
149.04594	0.2
150.03198	0.5
151.00394	9.3
152.00854	0.3
153.01915	1.4
153.09250	0.3
155.10788	0.6
163.03999	0.4
164.04771	0.2
165.04164	0.2
165.05536	1.4
166.05965	0.3
167.03487	0.4
168.00687	2.7
169.01440	17.0
170.01762	1.0
173.11798	0.3
177.04124	0.3
179.07133	0.3
181.05020	1.6
182.05817	0.8
183.06599	1.1
191.03526	0.3
195.06764	0.3
197.04648	0.2
197.51205	0.2
209.04720	0.4
211.02504	1.8
212.02975	0.2
227.16377	0.2
237.07835	0.4
253.03516	0.4
267.10623	0.2
270.04080	0.3
271.04648	1.4
313.05469	1.5
316.02292	0.3
344.11075	0.5
399.12866	0.2
493.19870	0.5
541.22845	100.0
542.23218	16.3
542.31940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92486	0.3
53.35861	0.4
55.01874	0.4
56.93044	0.4
57.03440	0.9
59.01384	7.5
60.99301	0.6
61.98832	11.7
64.17613	0.5
65.00307	0.5
67.01900	1.0
68.88480	0.4
69.03465	0.6
69.74882	1.0
69.75282	2.8
70.11452	0.4
71.01383	5.1
72.99312	0.7
73.02956	1.7
78.75465	0.4
79.01909	0.8
79.25803	0.4
83.01398	1.2
85.02959	2.6
85.06609	0.6
87.00916	0.4
88.98827	2.2
89.02463	2.8
93.03482	1.6
95.01398	2.3
96.96041	1.0
97.02970	1.0
98.20586	0.9
99.00906	0.8
101.02451	3.4
103.05524	0.4
107.01401	2.9
108.02200	0.8
109.02967	1.1
111.00894	3.5
113.02467	2.3
118.32139	0.4
119.03545	0.9
120.99667	0.4
121.02982	3.4
122.03782	3.7
123.00903	15.5
123.04546	1.3
124.01635	1.6
125.02461	14.6
126.02802	0.8
127.00434	0.7
134.03764	1.0
135.04546	1.9
136.01642	0.6
136.98846	1.2
137.02463	1.2
139.00400	4.1
140.01218	2.7
141.01990	2.6
145.02921	0.7
147.06645	2.8
147.78070	0.4
149.02473	9.5
149.06119	1.0
150.03247	23.6
151.00391	10.4
151.03903	1.9
152.00999	0.7
153.01918	0.8
161.02484	0.9
161.04602	1.0
163.03992	0.9
164.04839	2.7
165.05592	22.6
166.05986	1.1
167.03477	0.4
167.07129	0.9
168.00658	4.1
169.01443	21.0
170.01843	1.0
179.07159	0.8
180.04269	1.3
180.07928	2.3
181.05086	1.2
183.03009	0.5
189.07658	0.6
191.05580	0.4
193.05104	0.7
195.06639	11.1
196.07002	0.8
208.07407	0.8
211.02472	2.1
224.60797	0.5
244.92920	0.4
251.07205	0.6
255.06621	1.4
267.10352	0.6
269.08212	1.9
269.11685	1.1
271.04596	1.3
272.05103	0.4
273.05032	0.5
283.09824	0.9
291.10892	1.9
296.10654	1.0
297.11340	5.3
299.09241	1.7
300.10025	7.8
301.10669	1.9
309.11969	2.9
311.09415	1.4
312.09900	2.3
313.05780	1.3
313.10568	0.8
314.11758	0.6
315.12366	22.0
316.12903	2.5
327.12411	6.4
328.12695	0.9
345.13306	2.2
351.12985	1.5
417.13358	1.1
419.15140	1.2
420.15805	0.5
463.17654	10.0
464.18112	1.9
475.17249	0.5
481.31113	0.4
493.18698	29.8
494.18964	5.1
503.13980	1.3
504.14777	0.8
541.22876	100.0
542.23242	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	541.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00523	1.2
55.01875	3.0
57.03458	2.9
58.00591	2.2
59.01381	61.6
61.98834	11.9
69.03458	2.2
70.38874	2.0
70.39273	3.9
71.01386	47.1
72.99310	3.6
73.02947	15.1
74.99113	1.9
81.03450	2.9
83.01395	5.7
83.05050	1.8
85.02961	13.9
87.00889	4.6
87.04533	2.1
88.98820	2.8
89.02456	50.0
93.03484	4.4
95.01405	11.0
96.96022	32.5
97.02968	8.6
98.19918	1.6
99.00886	3.9
101.02452	27.6
107.01408	5.0
107.05036	3.1
108.02197	4.0
109.02967	6.4
111.00927	2.8
111.04511	2.4
113.02470	20.0
116.36106	1.4
119.03531	13.1
121.02960	6.7
122.03762	11.0
122.04562	1.5
123.00903	10.7
123.04559	6.0
124.01691	5.1
125.02464	26.2
127.00359	1.8
131.03531	4.2
133.02957	2.6
134.03755	2.9
135.04549	5.1
136.01622	3.4
136.99072	2.7
137.02460	20.9
137.06187	1.7
138.03230	9.0
139.00349	4.1
139.04034	5.6
140.01158	3.8
141.01927	2.3
143.03560	2.4
145.02989	2.2
146.03763	18.1
147.06682	1.5
149.02452	27.7
149.04575	4.0
149.06079	2.9
150.03247	100.0
151.00404	4.9
151.04051	36.9
152.01170	4.3
152.04326	1.4
153.01959	9.9
153.05618	11.5
161.04555	9.1
161.06100	8.0
162.03265	2.0
163.04047	2.7
164.04800	18.5
165.01935	2.5
165.05588	91.7
166.06076	3.8
166.99855	1.9
167.03529	2.0
167.07108	2.2
168.00636	7.5
169.01454	19.8
177.05612	4.0
179.03535	10.3
179.05615	18.4
179.07164	30.1
180.04314	11.4
181.05086	99.7
182.05846	47.1
183.03062	14.0
183.06639	86.1
184.06966	4.1
187.09882	2.0
189.05580	4.6
193.05150	1.9
194.05785	2.1
195.06638	56.5
196.07042	2.0
201.11375	4.3
205.36322	1.5
209.08194	2.3
211.02550	4.3
219.06660	2.0
223.06192	5.6
225.04086	2.5
225.07706	4.7
226.08289	2.2
235.06284	2.0
237.07683	16.5
271.04517	3.5
285.06268	1.8
291.10950	3.3
297.11884	2.2
309.12054	3.4
313.05719	2.9
313.09247	21.1
314.09769	2.1
316.09601	4.0
319.10318	2.1
325.57446	1.5
327.07162	5.0
331.11838	20.1
343.10242	22.5
344.11127	20.7
345.11923	10.2
348.10135	1.5
349.18835	1.7
351.12967	2.4
361.12985	7.3
379.14114	10.0
389.10806	4.2
399.12939	4.1
443.11783	2.3
481.22629	3.0
493.17624	43.5
494.17300	4.9
523.18750	2.6
541.15771	23.3
541.24475	7.9
542.16949	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	541.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.5
57.03461	1.0
59.01385	14.2
61.98838	3.5
67.01910	0.9
69.03454	1.2
70.48074	2.3
71.01398	8.5
72.99313	1.1
73.02940	5.7
74.99110	1.4
75.00894	0.8
78.95893	0.6
81.03468	1.0
81.96049	0.6
83.01414	1.4
85.02955	2.9
87.00889	1.6
88.98822	1.8
89.02457	6.4
93.03470	1.2
95.01404	5.0
95.05047	0.7
96.96023	1.5
96.97016	0.8
97.02959	4.5
98.98353	0.6
99.00887	1.2
101.02457	5.1
107.01414	2.5
107.05033	3.0
108.02199	1.0
109.02969	2.4
109.06640	0.9
111.00874	1.2
111.04517	0.8
113.02459	5.0
119.03515	1.9
121.02977	0.8
122.03783	0.7
123.00907	5.3
123.04532	4.9
123.08107	0.7
124.01688	2.5
125.02469	8.8
126.02814	0.6
127.00372	0.6
131.03534	2.2
134.03772	2.6
135.04564	6.0
135.06674	0.8
136.01707	2.3
136.99075	1.0
137.02475	17.1
137.06146	0.8
138.03281	8.1
139.00391	2.0
139.04001	1.8
140.01173	2.2
141.01984	1.4
143.03508	0.7
145.03004	1.0
146.03775	21.3
147.04173	1.2
149.02556	0.8
149.04605	0.8
149.06084	2.9
149.35704	0.6
150.03293	4.7
151.00375	3.1
151.04039	31.9
152.04433	1.5
153.01953	2.3
153.05597	11.0
161.04578	1.9
161.06100	8.5
162.03281	1.4
162.06342	0.6
163.04045	2.3
164.04828	12.2
165.05614	3.0
167.03523	0.7
167.07130	1.7
168.00641	4.1
169.01442	9.5
170.02191	1.1
171.01897	0.6
175.04050	1.4
177.05643	1.2
179.03625	3.1
179.07162	35.1
180.04279	1.0
180.07497	2.0
181.05092	100.0
182.05856	46.2
183.03160	5.5
183.06645	81.1
184.06993	4.7
189.05562	2.9
193.05171	0.9
194.05794	0.9
195.06647	9.8
199.06201	0.9
201.11354	2.1
208.07361	0.7
209.08228	2.4
209.11836	1.0
211.02567	1.7
219.06688	2.9
223.06139	7.4
225.07655	3.5
237.05435	1.2
237.07681	15.6
238.08112	0.8
253.07199	1.1
271.04553	1.0
291.10852	2.2
297.06302	0.7
309.11996	3.1
313.05859	1.3
313.09256	19.8
313.12906	0.9
314.09552	1.3
327.07239	1.9
331.11868	4.4
343.10587	6.9
344.11148	18.2
345.11798	6.9
349.18817	1.6
351.13019	3.6
361.12897	7.5
373.12985	2.4
379.13928	7.5
380.14264	0.8
389.10931	1.4
399.13028	2.8
479.11899	1.1
481.22510	0.9
493.13391	1.3
523.18756	3.9
524.18829	1.0
541.15570	5.7
541.23438	21.0
542.16058	1.7
542.23956	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	541.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93649	0.3
57.03446	0.6
58.00618	0.4
59.01381	9.6
59.01656	0.5
61.98834	36.8
63.38544	0.4
69.03460	3.9
70.19956	0.3
71.01392	4.2
71.74442	0.6
72.99335	0.4
73.02949	1.8
75.23141	0.3
81.03497	1.2
83.01422	1.4
85.02967	2.2
87.00903	0.5
88.98846	0.9
89.02462	2.1
93.03494	0.4
95.01397	2.4
96.96037	1.1
97.02964	3.6
97.03493	0.4
97.06663	0.4
99.00922	0.5
101.02460	2.6
107.01418	1.4
108.02192	6.3
109.02978	6.4
111.00928	0.4
113.02455	2.4
117.07132	0.7
119.03548	0.5
121.02950	0.7
121.06599	0.4
123.00905	10.6
123.04582	0.7
124.01691	24.0
125.02470	60.4
126.02822	1.5
136.01697	0.7
137.02469	2.8
137.06064	0.4
139.00391	0.8
139.04077	0.7
143.78093	0.4
147.04478	0.4
149.02448	0.8
149.06027	0.4
149.99608	30.7
151.00421	3.6
151.04066	0.7
152.01181	7.1
153.01959	4.2
161.02428	0.5
161.04593	1.2
165.02005	0.6
165.12932	2.1
166.02348	0.4
167.03528	1.8
168.00662	71.1
169.01430	11.5
169.05067	0.5
183.13933	5.1
193.01460	0.4
209.11807	0.9
210.12329	0.4
211.02443	0.6
227.12883	0.9
227.16507	1.6
246.12973	0.4
251.12834	0.4
287.16479	0.7
293.13858	0.8
313.05707	0.8
315.07300	1.7
317.13898	0.6
331.06586	0.9
349.22501	0.5
371.20767	0.8
389.21796	5.3
390.21976	0.9
395.03140	0.4
434.10947	0.5
481.27856	2.1
497.20227	6.4
497.30997	0.9
498.20538	0.5
505.33755	1.1
523.17310	1.9
523.22571	0.5
523.25195	1.0
541.18823	100.0
541.31427	3.9
542.19153	16.5
542.32092	0.5
561.50073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
58.00591	2.1
59.01378	30.4
61.98835	13.1
67.01881	2.0
69.03466	2.2
71.01389	24.6
71.72691	1.2
72.99325	2.5
73.02946	6.1
75.00884	1.3
78.09077	0.8
79.38596	0.9
81.03487	2.3
83.01399	3.6
83.05027	1.2
85.02965	7.2
85.06581	1.2
87.00890	3.3
88.98824	3.4
89.02452	24.0
95.01397	6.8
95.05048	0.9
96.96022	9.8
97.02985	3.9
98.95608	1.8
99.00916	2.5
101.02450	14.0
107.01418	7.1
107.05044	2.6
108.02232	2.7
109.02982	5.7
109.06565	1.2
111.00898	5.8
111.04562	1.3
113.02472	9.3
113.06110	0.8
119.03482	4.5
119.05116	1.4
120.99728	0.9
121.02975	3.7
123.00912	13.7
123.04550	3.9
124.01704	4.2
125.02464	29.5
127.00410	1.0
128.03578	1.2
131.03516	4.8
134.03754	2.9
135.04533	6.7
136.01657	2.2
136.98901	2.8
137.02461	12.5
137.06055	1.4
138.03276	10.0
139.00406	5.5
139.04042	4.4
140.01193	3.4
143.03491	2.3
145.02995	1.8
146.03761	23.7
147.04161	1.2
149.02466	7.8
149.04575	7.2
149.06071	1.6
150.03244	24.3
151.00433	7.2
151.04042	21.1
152.01166	1.2
153.01958	9.4
153.05574	7.0
155.98616	1.4
159.04460	1.1
161.02518	1.6
161.04630	4.2
161.06107	19.0
162.03252	2.7
163.04027	2.0
164.04816	13.9
165.01970	2.7
165.05585	28.2
166.02740	4.2
166.05106	3.4
166.06227	1.5
166.99840	1.4
167.03511	2.6
167.07144	1.8
168.00652	8.6
169.01447	34.5
170.01964	1.5
175.04037	2.0
176.04788	0.9
177.01941	1.3
177.05588	2.2
179.03540	4.1
179.05682	1.8
179.07118	20.2
180.04289	4.6
180.07510	1.4
181.05083	78.3
182.02393	1.0
182.05832	28.5
183.03151	7.6
183.06635	100.0
184.06982	5.4
187.13422	1.1
189.05566	2.1
191.05634	1.6
193.05077	1.2
194.05798	2.3
195.02998	1.2
195.06615	11.5
196.03714	1.0
197.04628	2.1
201.11359	1.2
209.04498	1.0
209.08192	2.4
211.02478	7.3
211.06154	2.2
212.06937	2.2
213.07727	4.7
219.06616	5.9
223.06123	4.1
225.04048	1.5
225.07733	2.2
237.07677	12.7
249.04074	1.4
249.76833	1.0
267.08722	2.7
271.04636	10.4
272.04971	1.4
285.06168	1.4
291.10913	2.0
293.08890	1.7
297.06174	1.9
297.11911	2.1
301.00046	1.5
311.07703	1.3
313.05688	1.5
313.09177	12.0
314.09821	0.9
325.10760	1.8
327.07190	1.8
331.06747	4.6
331.11841	4.1
332.12210	1.2
343.10492	4.7
344.11099	11.3
345.11853	11.7
349.18658	15.4
350.18845	2.0
351.12906	1.2
359.36804	0.9
361.13098	2.6
371.09802	3.3
373.12979	22.3
374.13235	3.1
379.13937	13.1
380.14270	2.5
389.10834	12.4
390.11005	1.3
391.13800	2.3
399.13046	2.4
451.07947	1.1
451.13275	1.3
481.16953	1.5
481.23026	13.3
482.23383	2.0
493.13074	9.0
523.14941	4.0
541.11102	40.0
541.23956	1.9
542.11694	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	541.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.4
57.03444	0.3
58.00624	0.3
59.01381	5.7
61.98833	16.6
69.03461	3.3
70.62596	0.6
71.01380	1.9
73.02962	0.8
79.01910	0.3
81.03471	0.8
83.01376	2.0
83.05006	0.3
85.02944	1.6
87.00902	0.5
88.76536	0.2
88.98837	0.4
89.02482	0.7
95.01412	1.3
96.96047	0.4
97.02964	3.1
97.06603	0.4
98.19894	0.3
101.02466	1.5
105.55104	0.3
107.01406	0.9
108.02189	2.9
109.02978	2.0
113.02462	0.8
117.07156	0.3
118.79102	0.3
121.03020	0.4
123.00899	8.0
123.04545	0.4
123.23244	0.3
124.01684	24.1
125.02467	53.6
126.02821	2.0
127.98509	0.3
131.03537	0.3
136.01680	0.5
137.02461	2.2
139.04036	0.4
149.02422	0.3
149.99608	30.7
151.00429	2.1
151.03999	0.6
152.01210	3.0
153.01918	0.9
161.04581	0.6
165.12886	1.1
167.03500	1.7
168.00665	67.3
169.01439	8.7
170.01842	0.3
179.03616	0.5
183.13919	5.0
207.13914	0.5
209.11868	0.4
211.02423	0.5
227.12900	1.1
230.19600	0.3
247.99342	0.3
251.12944	0.6
265.14734	0.3
287.07678	0.4
287.16397	0.3
293.13916	0.4
313.05573	0.9
315.07269	0.5
317.14020	0.6
331.06689	0.9
389.21552	0.6
497.20267	2.3
497.31293	0.5
523.18097	2.1
523.25281	0.4
541.19128	100.0
542.19470	13.7
542.31378	0.6
546.03131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.7
57.96928	0.2
59.01384	6.1
61.92212	0.3
61.98833	100.0
62.98537	0.3
63.99262	0.4
67.01908	0.4
68.99830	0.4
69.03461	2.4
70.69109	0.7
71.01396	2.6
71.05038	0.3
72.99300	0.5
73.02956	1.3
80.56807	0.2
81.03471	0.8
82.21782	0.3
83.01405	0.6
83.05039	0.6
85.02981	1.1
87.00916	0.6
88.04097	0.3
88.98804	1.0
89.02454	1.6
93.03490	0.3
95.01401	1.1
96.96017	0.5
97.02950	1.5
99.04561	0.5
101.02454	1.8
107.01418	0.4
108.02185	0.9
109.02964	1.1
109.06625	0.4
111.00932	1.0
111.08201	0.5
113.02483	1.0
119.03522	0.4
121.02985	0.5
123.00907	2.6
123.04539	0.6
124.01706	3.6
125.02467	88.4
126.02793	2.7
129.05568	0.4
135.04498	0.4
137.02451	0.9
137.06082	0.4
139.00391	0.4
145.02965	0.3
151.00385	0.9
151.04045	0.3
151.07660	0.6
152.01132	0.7
153.01929	0.9
153.05638	0.4
155.10738	0.3
161.04555	0.9
165.01982	0.3
165.12862	1.8
166.99847	0.8
167.03505	0.6
168.00676	6.5
169.01448	84.6
170.01791	3.5
173.08167	0.6
179.03537	0.3
179.05640	0.3
183.13902	4.9
184.14211	1.2
187.11304	0.4
195.03000	0.5
205.12291	0.4
209.11703	0.4
211.02542	0.8
223.13429	0.3
227.12910	2.2
232.46387	0.3
243.12399	0.4
249.11406	0.3
251.12875	0.8
271.04492	0.9
275.12982	0.5
287.07648	2.3
293.13971	3.0
313.05487	0.4
319.19064	0.5
331.06763	4.2
332.07071	0.3
349.22226	0.4
371.17041	1.2
464.89984	0.3
478.23724	3.3
479.18808	0.5
479.29996	0.4
480.32248	0.4
481.26819	0.4
481.33032	1.4
497.20248	17.3
498.20688	2.8
523.17816	0.5
524.16718	0.5
541.18896	30.4
542.19025	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	541.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61180	0.5
55.43657	0.5
57.03416	0.4
59.01380	10.5
61.96987	0.5
61.98830	21.8
62.86146	0.4
66.82542	0.5
67.01884	0.5
70.67791	1.6
71.01367	2.2
73.02943	2.1
75.83723	0.5
75.84223	0.5
78.89527	0.4
81.03458	1.1
83.01391	1.4
85.02959	3.5
89.02473	0.5
90.56385	0.4
93.03432	0.6
95.01411	2.3
97.39487	0.5
101.02422	1.7
101.81821	0.5
107.05061	0.5
108.02187	43.1
109.02977	34.0
111.00954	0.6
113.02473	1.1
121.02929	0.7
123.00871	2.2
123.04514	0.6
125.02444	1.7
135.04514	0.6
139.00357	0.5
139.11317	4.7
152.01175	52.1
153.01958	19.7
154.02286	1.0
161.04555	0.7
163.03954	1.0
167.07126	1.6
169.01443	0.6
179.10750	0.6
181.12335	2.1
183.10292	5.6
225.11269	1.9
243.12344	1.2
349.22220	1.6
414.42377	0.6
431.17410	0.6
458.48605	0.5
479.19193	2.0
481.17035	4.3
481.23550	0.7
481.26593	0.8
481.33337	0.7
482.17233	0.7
497.20374	4.0
498.20279	1.2
505.22842	1.3
523.18060	1.5
541.19122	100.0
542.19421	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	541.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35198	0.4
59.01379	3.9
61.01778	0.4
61.98516	0.7
61.98834	11.8
69.37438	0.9
69.37856	3.4
71.01393	2.5
73.02921	0.6
83.01410	0.6
85.02956	0.8
86.52627	0.4
89.02451	1.0
95.01431	0.4
101.02457	1.0
106.14581	0.4
107.01420	0.8
108.02218	0.7
109.02946	1.1
110.02515	1.0
110.97191	0.4
111.00932	0.6
113.02456	0.6
120.99672	100.0
122.00018	1.4
123.00898	2.9
125.02478	5.3
126.02791	0.8
127.00367	0.4
131.04445	0.4
134.06067	0.4
139.00398	1.1
145.03035	0.6
150.03227	1.2
151.00410	1.8
151.03996	0.8
152.01123	0.7
153.01956	1.5
157.90750	0.4
165.05620	1.2
167.07164	0.9
168.00699	0.7
169.01450	6.4
170.01753	1.1
178.05116	0.4
234.22656	0.4
235.46060	0.4
299.09323	0.5
313.05515	0.7
329.12732	0.6
330.12775	1.0
331.12988	2.1
344.12878	0.9
479.15396	0.6
505.17001	1.6
541.22180	25.3
542.22607	3.5
554.02563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42848	0.6
53.12531	0.7
55.01871	1.7
57.03452	0.6
59.01379	72.9
60.01702	0.9
60.99301	1.7
61.98830	28.2
67.01881	1.3
69.03471	1.1
70.82638	1.9
71.01389	16.1
72.01688	0.9
72.99326	1.3
73.02956	5.5
75.00869	0.9
79.01872	1.3
81.03434	0.8
83.01388	3.1
85.02966	6.9
87.00880	1.8
88.98814	9.9
89.02452	8.7
90.02764	0.6
93.92178	0.7
95.01400	2.8
96.96030	0.8
97.02959	1.4
99.00867	2.0
101.01791	0.8
101.02451	11.8
107.01395	4.3
109.02936	1.3
111.00880	3.8
113.02450	5.9
119.03520	3.3
123.00896	14.6
123.04510	0.8
125.02457	24.0
126.02799	1.4
134.03801	0.9
135.04539	1.8
136.98868	1.3
137.02483	1.5
138.01994	0.9
139.00406	4.4
139.04076	0.7
139.11420	0.8
140.01216	4.4
141.01889	2.4
145.02948	1.0
149.04468	0.7
150.03276	1.5
151.00388	10.4
151.04071	0.9
152.00890	0.9
153.01979	2.0
155.10808	1.8
161.04541	1.1
163.03961	1.6
165.05547	2.0
167.03473	1.4
168.00664	4.6
168.99994	1.4
169.01430	25.3
170.01778	3.0
171.01942	1.5
179.03511	1.3
179.05461	0.7
179.07114	1.1
181.05074	1.3
187.13367	2.3
195.06624	1.1
209.08092	1.5
209.11871	0.9
210.08408	0.8
211.02512	4.0
211.09816	1.1
212.02779	1.0
227.12813	1.5
229.02390	0.7
271.04486	4.6
272.04834	1.2
287.14969	0.7
293.08630	1.6
313.05609	3.2
314.05603	0.8
315.08740	0.8
329.15964	0.9
349.18478	0.8
358.70746	0.7
371.17157	1.4
388.81552	0.8
389.18176	47.8
390.18539	4.5
408.11630	0.8
451.12726	6.3
452.08008	1.2
452.13416	1.1
478.10538	4.6
479.10620	1.7
479.21301	3.6
481.17184	9.3
481.23230	1.6
482.17462	1.4
523.18317	4.6
540.34540	1.3
541.19922	100.0
542.19849	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	540.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03452	1.0
58.00592	0.3
59.01383	10.6
60.01727	0.4
60.76660	0.3
61.98834	100.0
67.86169	0.3
69.03452	0.8
69.39133	3.2
71.01390	6.3
71.05035	0.4
72.01722	0.3
72.99311	1.0
73.02961	1.8
75.00883	0.3
81.03442	0.3
83.01425	1.2
83.05051	0.4
85.02962	3.4
87.00906	0.7
88.98833	1.1
89.02444	2.9
95.01404	0.8
96.96054	0.8
97.02997	0.3
97.06621	0.3
98.19807	0.6
99.00912	1.0
101.02460	4.3
102.02813	0.6
108.02217	0.5
109.02982	4.5
109.06625	0.6
111.00898	0.5
111.08201	1.1
113.02463	2.7
116.92900	1.2
119.03519	0.6
123.00919	1.0
123.04559	0.9
124.01707	1.0
125.02470	17.7
126.02810	0.5
127.07667	0.7
137.02530	0.8
139.00403	0.5
139.04021	0.4
140.01151	0.3
145.03017	0.5
151.00340	0.4
151.04025	0.7
151.07651	0.5
152.01184	0.5
153.01930	0.9
161.02457	0.4
161.04576	2.2
165.05502	0.5
165.12886	4.2
166.13126	0.3
167.03584	0.4
168.00716	1.4
169.01454	17.3
170.01735	0.4
173.08205	0.5
179.05681	0.3
183.13919	9.6
184.14307	0.8
193.68170	0.3
197.15446	0.5
207.10283	0.4
209.11882	0.7
211.13548	0.5
227.12947	2.0
267.10931	0.9
272.17578	0.3
279.97702	0.3
280.01001	0.3
286.98471	1.0
287.07852	0.4
293.14063	0.7
302.08279	0.3
318.27405	0.4
331.06595	1.6
349.22388	0.7
371.16891	0.3
458.21143	0.4
458.70856	1.5
459.20651	0.6
477.23404	22.7
478.23727	3.1
479.32208	1.3
480.17719	0.4
480.32565	7.8
481.32959	0.8
497.20395	3.7
497.31302	0.5
510.22360	0.8
522.22400	1.2
540.21655	3.1
540.34930	0.5
541.20007	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	540.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45804	0.3
58.00594	0.6
59.01376	1.5
61.98834	2.0
66.31080	0.2
70.96111	0.8
71.01385	2.6
72.00912	11.9
72.99317	0.3
73.02959	0.7
75.00887	0.6
78.95914	2.5
85.02972	0.9
85.83978	0.3
87.00898	2.1
89.02467	1.0
91.05559	0.6
93.03483	0.3
93.88670	0.2
95.01429	0.6
96.96061	0.4
96.96982	0.4
99.00876	0.5
100.86474	0.3
101.02464	1.8
105.01960	0.7
111.00902	0.5
113.02461	1.0
116.92882	1.3
117.03501	0.5
119.05044	1.0
121.02982	2.0
122.03747	0.5
122.06169	0.3
123.00913	1.8
123.04527	0.4
123.95580	0.3
124.04072	3.1
125.02461	3.3
126.02805	0.3
133.01534	0.4
133.02950	0.4
134.04744	0.4
137.02478	0.6
138.05606	0.9
139.00391	0.5
143.03471	0.3
145.02991	1.5
146.03802	0.4
147.04549	38.8
148.01639	0.3
148.04893	2.5
149.02461	8.3
149.03590	0.6
150.03250	15.2
151.00381	0.8
151.03731	0.8
156.24384	0.3
158.92554	0.7
159.04529	0.3
161.02484	1.2
161.04562	2.7
162.03217	1.2
163.04059	1.1
163.06158	0.3
164.04854	5.4
164.07191	100.0
165.01978	2.0
165.04134	3.3
165.05580	39.1
165.07544	5.5
166.02333	0.7
166.06055	2.1
166.99861	0.3
168.00781	0.3
169.01440	3.8
170.01704	0.4
173.02472	0.5
174.02971	0.3
175.04056	0.7
177.01941	0.6
177.05582	0.8
179.03522	0.4
180.04285	2.5
181.04691	0.7
185.02507	0.3
188.10590	0.3
189.01929	1.0
190.02666	0.4
191.03545	0.8
195.06645	17.9
196.07013	2.9
198.07777	0.3
201.01955	0.7
203.03473	0.9
204.06641	0.3
207.06517	0.4
211.02501	1.0
217.01462	0.7
218.02168	0.3
219.02965	0.7
229.01433	0.8
231.02959	1.0
233.00830	0.4
245.00902	0.8
247.02496	0.8
248.03220	0.8
249.04021	2.6
250.04399	0.4
257.00897	0.9
261.00348	0.6
269.12982	0.4
271.04681	2.1
273.00403	1.0
274.01065	0.8
275.01932	2.9
276.02277	0.5
283.99582	0.3
286.09344	2.6
291.01584	0.5
299.99020	0.4
300.99844	3.6
302.00150	1.1
309.11917	0.3
313.00128	0.3
313.05515	0.6
314.00613	0.4
315.98462	0.4
316.99460	2.7
317.99713	0.5
318.12039	1.3
327.10861	15.0
328.11188	1.6
331.06668	0.7
357.11853	1.1
373.07700	0.5
394.61206	0.3
403.09232	0.3
407.14520	0.6
413.66180	0.3
426.02405	0.5
457.52826	0.3
458.02899	0.5
459.11472	0.3
477.12515	8.1
478.12848	1.3
479.03806	0.3
480.17670	0.9
497.17749	0.4
540.04785	0.4
541.16138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23671	0.4
55.01892	0.7
57.03449	1.8
58.00563	0.6
58.81516	0.4
59.01380	11.5
61.98834	100.0
67.01918	0.6
71.01383	7.1
72.01730	0.6
73.02962	2.1
83.01388	1.1
85.02962	2.7
87.00917	0.8
87.04551	0.9
88.98804	0.7
89.02463	6.7
93.03496	0.4
95.01408	0.9
95.12714	0.4
98.19810	0.8
99.00906	1.0
101.02467	5.5
102.02853	0.6
104.17448	0.4
106.84194	0.6
107.01416	1.2
111.00928	0.6
113.02470	2.3
113.19986	0.5
119.03547	1.9
120.03878	0.6
122.06153	0.5
123.00893	2.4
125.02483	4.6
126.02853	0.7
137.02527	0.6
139.00426	0.6
140.01181	0.6
143.03549	0.6
151.00397	4.0
152.07205	1.0
153.01967	1.5
161.04588	0.8
168.00691	0.6
169.01440	6.6
170.01801	0.8
179.05653	1.2
187.13417	0.8
192.06712	1.5
199.04018	1.5
203.03577	0.7
211.02522	1.1
215.03520	1.4
217.14410	0.9
227.03519	2.1
229.90324	0.6
240.95110	0.5
242.02220	2.7
243.02995	21.0
244.03357	1.5
255.02899	0.9
257.04623	6.8
270.01697	4.6
271.02414	20.8
272.02988	1.9
285.04062	12.0
286.04678	4.0
299.01978	7.2
299.05112	0.8
300.02740	3.6
314.04330	42.3
315.04935	9.5
316.05383	0.7
317.23511	0.7
338.30362	0.5
357.06183	1.1
357.14447	0.8
377.29117	9.3
378.29422	5.1
453.82803	0.5
477.10406	91.1
478.10736	12.3
478.17758	0.6
539.21210	1.7
539.34283	10.6
540.21692	12.7
540.34448	10.1
541.23029	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	540.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38493	0.2
57.03447	0.2
59.01083	0.5
59.01380	8.5
61.98832	100.0
67.01880	0.3
71.01389	5.1
71.69580	0.4
72.01717	0.5
72.99323	0.8
73.02943	0.5
75.00883	0.5
78.95926	0.2
79.01909	0.4
83.01386	0.5
85.02973	0.9
86.03249	0.2
87.00887	0.5
88.98828	0.8
89.02454	6.3
90.02801	0.8
93.03481	0.5
95.01404	0.6
96.96036	0.3
97.02982	0.4
99.00861	0.3
101.02464	1.3
107.01395	1.0
111.00916	0.7
112.01262	0.2
113.02440	1.4
119.03511	0.5
119.04965	0.2
120.01304	1.0
120.99727	0.3
121.02951	0.3
123.00910	3.8
124.01206	0.4
125.02469	5.7
125.03415	0.3
126.02808	0.9
126.03613	0.2
127.00374	0.3
130.16148	0.2
131.03513	0.7
133.03061	0.2
136.98856	0.4
137.02432	0.2
137.99150	0.2
139.00365	1.4
139.04007	0.5
140.01161	0.7
141.01974	0.6
146.03680	0.2
147.04643	0.2
149.02455	0.5
149.04579	1.1
150.03252	0.2
150.04901	0.3
151.00385	3.1
151.04004	0.3
152.00961	0.3
152.53963	0.2
153.01958	0.4
161.02432	0.2
161.04559	0.4
163.04071	0.3
164.04880	0.2
165.01903	0.3
165.05508	0.3
166.06380	0.9
167.03453	0.2
167.06953	0.3
168.00659	2.0
169.01454	8.3
170.01759	1.8
177.01982	1.2
178.02306	0.6
179.03391	0.2
179.07202	0.5
180.07436	0.2
181.05164	0.3
181.08725	0.6
182.08998	0.3
185.58655	0.2
186.12552	0.2
192.04300	0.8
193.04730	0.6
207.06651	0.8
208.06987	0.7
211.02473	3.5
211.04305	0.3
211.63882	0.2
212.02820	1.7
213.03104	0.3
219.82695	0.2
267.06931	0.2
271.04596	4.3
272.04922	3.0
272.09219	0.3
275.01978	0.3
292.18369	0.2
313.05664	0.8
328.12799	0.2
330.13242	0.3
331.06857	0.3
332.07364	0.2
344.30923	0.2
403.82913	0.3
492.19461	0.3
496.19183	0.3
504.65500	0.2
522.20410	1.6
539.21228	0.3
539.34204	0.5
540.21619	17.6
540.34900	0.6
541.22876	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	539.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
57.03447	3.1
58.00600	1.2
59.01381	63.5
61.98832	93.8
67.01897	0.7
69.03456	1.0
69.59867	1.8
69.60290	3.0
71.01390	37.1
72.99317	2.9
73.02952	10.6
75.00886	1.1
81.03447	0.6
83.01394	6.5
83.05044	1.1
85.02959	16.7
87.00877	3.0
87.04511	0.7
88.98840	2.9
89.02453	15.1
89.50601	0.6
92.60419	0.6
93.03469	0.8
95.01391	4.6
96.96017	0.8
97.02960	1.7
97.06643	0.7
99.00895	3.2
99.04527	1.1
101.02457	27.1
102.02778	0.8
107.01399	1.2
107.05037	0.7
108.02180	3.4
109.02974	9.5
109.06606	3.3
111.00890	3.5
111.08160	0.7
113.02465	15.2
119.03537	5.8
120.99669	5.5
121.03009	1.1
122.06155	1.5
123.00926	4.6
123.04536	1.9
124.01641	1.2
125.02459	10.1
127.07668	6.0
129.01981	0.7
131.03522	1.6
135.04529	1.0
136.30003	0.6
137.02490	1.4
139.00377	2.3
140.01152	0.9
141.01991	1.5
141.09135	0.7
143.03493	2.0
149.02429	1.1
149.04532	1.1
149.99620	0.9
150.03197	1.4
151.00386	2.9
151.04004	1.5
152.01184	3.7
153.01965	7.1
153.05550	0.9
153.09195	1.3
157.12323	0.9
159.02988	2.5
161.04610	7.6
162.69774	0.6
163.04016	0.7
165.01813	0.8
165.05486	0.8
165.12827	0.8
166.05061	1.1
167.03525	0.9
168.00652	2.1
169.01440	9.0
171.06662	1.0
173.58020	0.6
179.03513	0.9
179.05620	1.8
179.07092	0.9
179.10789	2.3
183.13890	4.3
193.01517	0.7
193.12325	0.9
195.06638	1.3
197.68486	0.7
205.12305	2.4
211.13402	30.3
212.13715	2.2
216.85588	0.6
220.25414	0.7
243.06734	0.7
244.07095	0.9
253.09238	3.7
259.19064	2.2
273.20847	0.6
292.70346	0.7
297.11801	0.9
313.05496	1.3
315.07236	0.8
315.25269	0.9
317.26974	5.9
318.11240	0.7
337.01956	1.6
347.20847	3.0
407.26178	0.7
441.99133	0.6
447.22318	3.7
477.23407	5.5
479.32217	100.0
480.26181	0.9
480.32602	12.1
507.15463	1.2
539.20886	30.1
539.32379	4.1
540.21173	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	539.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03450	3.3
58.00595	1.6
59.01381	100.0
60.01712	1.4
60.66148	0.6
61.98833	99.5
65.17200	0.6
67.01897	1.7
68.99809	0.7
69.03461	2.0
69.74991	4.2
71.01389	38.9
71.05029	1.2
72.01719	1.1
72.99318	2.6
73.02950	9.8
75.00869	1.0
80.96534	0.6
83.01393	6.5
83.05037	0.7
85.02961	15.7
86.00090	0.7
87.00884	3.2
87.07598	0.6
88.98816	5.7
89.02454	20.1
95.01398	4.5
97.02991	1.1
99.00894	4.9
99.04498	0.6
101.02457	32.4
102.02812	1.1
107.01399	2.4
108.02187	13.1
109.02980	9.9
110.03284	0.7
111.00898	10.1
111.08222	0.6
113.02462	14.8
116.92891	1.9
118.15751	0.6
119.03520	7.1
120.99637	1.0
121.02937	1.2
122.03722	0.8
123.00899	6.4
123.04559	2.6
124.01702	1.3
125.02465	11.9
126.02823	0.9
127.00455	0.7
129.02013	0.8
129.09227	1.0
131.03528	3.1
135.04585	0.9
135.08194	0.6
136.98854	0.9
137.02469	2.2
137.09706	1.6
139.00406	2.7
139.11285	0.9
140.01163	2.8
141.01942	0.8
143.03517	2.1
145.02930	2.0
146.03722	1.5
149.02478	1.0
149.04559	1.2
150.03214	2.6
151.00403	3.2
151.04022	1.5
152.01172	12.9
153.01976	8.8
153.05519	1.1
153.09303	1.0
159.02946	2.9
161.02521	1.1
161.04581	13.2
161.05894	0.8
162.03238	0.7
163.04007	0.7
163.07640	1.7
164.04716	1.1
165.01923	0.7
165.05557	3.1
166.02800	1.4
167.03502	1.1
168.00661	5.4
169.01448	13.2
170.01881	0.9
177.01999	1.2
177.05498	1.0
178.02748	1.2
179.05597	3.7
179.07181	2.1
179.10818	1.0
181.05124	1.7
181.08748	1.2
187.13428	0.7
191.05708	0.8
193.05115	3.3
195.06482	0.9
199.13448	1.5
211.02516	2.3
211.06213	1.8
211.13377	2.1
253.09598	0.6
259.19174	5.0
271.04587	2.3
273.20624	0.8
289.07217	0.9
315.07233	0.8
315.25415	1.3
317.27014	6.5
345.19220	1.8
346.19540	1.1
347.20526	6.8
361.16733	1.2
377.29071	5.1
407.26654	1.6
440.26804	0.6
453.19635	0.6
476.19049	1.0
477.17590	1.2
477.23499	3.1
479.32217	82.2
480.26144	1.1
480.32645	9.6
481.17227	0.9
495.18634	2.2
521.20184	1.2
539.20905	50.0
539.34149	22.0
540.22339	7.4
540.34589	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	539.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65714	0.6
55.01898	1.0
57.03445	2.9
58.00604	1.4
58.99402	0.6
59.01381	26.3
61.98834	1.0
63.36728	0.6
67.37309	0.5
67.89942	0.6
69.78029	3.6
71.01390	11.9
72.99310	0.7
73.02940	3.4
74.43071	0.7
83.01414	1.1
85.02950	4.4
87.00901	0.8
87.04539	1.7
88.98820	1.2
89.02457	8.4
95.01430	0.9
95.05051	0.9
95.49495	0.7
96.96048	2.6
97.02983	0.7
97.67055	0.6
99.82080	0.6
101.02457	8.3
101.06905	0.7
113.02438	3.2
115.04781	0.6
118.40074	0.7
119.03526	2.4
120.01234	0.6
123.00872	1.2
125.02422	3.2
131.03448	0.6
133.05066	1.5
137.02472	1.2
137.09802	0.8
139.11313	20.2
140.11606	0.9
146.03740	0.9
149.06082	0.9
151.00398	1.5
151.06125	7.3
163.11266	1.2
165.09233	1.3
169.01488	1.9
169.12372	3.6
175.06020	1.0
179.05679	0.9
179.07205	1.4
179.10823	1.6
181.12349	6.3
183.10277	22.7
195.13962	0.8
197.11891	2.7
211.02464	1.6
225.11343	15.7
243.12445	5.9
267.12430	1.2
271.04697	1.6
273.05057	0.8
285.13467	1.8
287.15112	1.8
295.10385	1.7
317.85901	0.6
387.16553	1.8
521.22418	2.7
539.23474	100.0
540.23767	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	539.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
57.03447	2.4
58.00586	3.5
59.01380	66.4
60.18802	1.0
61.98812	3.7
62.05406	0.9
69.03470	1.6
69.42672	8.1
69.43083	2.0
71.01389	51.5
72.99293	4.2
73.02950	6.9
83.01407	5.6
84.25601	0.9
85.02954	15.5
86.00106	0.9
87.00883	4.4
88.98830	1.0
89.02454	61.7
93.03455	3.3
95.01398	3.8
96.96014	4.7
97.02958	1.2
99.00898	2.6
101.02457	29.7
102.02806	1.0
102.03522	0.9
108.02203	2.5
109.04630	1.0
111.00895	1.0
113.02468	20.9
119.03520	20.8
121.02961	7.2
122.03759	15.4
123.00866	3.5
123.04557	1.6
125.02437	6.3
129.01878	1.2
131.03516	3.9
132.02135	1.2
133.02959	5.2
135.04581	2.2
136.01645	1.7
137.02423	2.3
138.03291	1.2
139.11270	3.2
143.03513	4.1
145.02963	2.7
147.04509	1.3
149.02466	28.8
149.04430	2.0
149.06099	2.2
150.03246	99.5
151.00285	1.1
151.03603	5.2
153.01860	1.0
157.53954	0.9
161.04585	5.2
162.03252	13.2
163.03934	1.4
164.04843	7.1
165.05583	97.4
166.06339	12.3
167.07088	2.2
169.01440	5.6
170.01666	0.9
172.98676	1.0
177.05579	10.8
179.03438	1.2
179.05635	11.0
180.04301	6.8
181.05002	1.4
181.08714	8.5
183.10254	8.2
195.06636	51.1
196.06914	3.2
211.02452	3.3
212.02888	1.4
213.03017	1.2
271.04568	2.8
272.04868	2.3
273.05002	3.2
295.10275	2.7
313.11380	3.4
314.11450	5.0
315.12335	1.3
326.78271	0.9
329.13965	10.2
333.06924	1.2
343.13916	17.5
344.14072	1.8
347.17099	2.1
377.16049	2.6
477.10104	1.3
479.21387	3.3
491.19208	100.0
492.19531	15.2
539.14374	2.5
539.21307	30.7
540.21814	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.3
57.03451	3.9
58.00595	5.6
59.01382	100.0
60.01715	1.9
61.01820	1.0
61.98834	8.3
67.01897	1.0
69.03464	1.0
69.47594	4.8
71.01389	66.7
72.01741	1.4
72.99323	5.1
73.02959	5.7
74.99126	0.5
75.00882	1.4
79.01920	0.7
81.03469	0.8
83.01385	4.5
85.02960	13.8
86.03265	0.5
87.00908	3.4
87.04534	1.1
88.98807	1.5
89.02457	98.5
90.02794	2.0
93.03445	0.6
95.01394	3.5
95.05017	0.5
97.02946	1.5
99.00888	2.6
101.02460	22.8
102.02784	0.7
107.01395	2.9
108.02196	1.7
109.02970	2.1
111.00893	2.1
113.02473	15.6
115.07609	0.7
116.34464	0.5
116.83135	0.4
117.03472	0.6
119.03518	7.6
121.02958	1.2
123.00906	13.9
123.04545	2.1
123.08192	0.5
124.01685	1.5
125.02473	15.9
126.02772	0.6
127.00388	0.7
131.03520	12.9
133.02911	1.2
134.03711	0.6
135.04552	0.7
136.98853	1.0
137.02487	1.3
139.00397	3.2
140.01129	2.3
141.01927	1.2
142.92274	0.5
143.03499	1.4
143.53310	0.6
145.02968	3.3
145.08730	0.5
146.03827	1.1
147.04550	1.1
149.04581	18.4
150.03203	0.7
151.00403	9.1
151.03981	1.4
152.01141	0.9
153.01942	1.4
153.05591	0.7
153.09174	0.6
155.10794	0.8
159.02989	0.8
159.26123	0.5
161.02492	4.0
161.04576	3.0
161.05865	0.6
162.03255	22.9
163.03705	2.1
165.01904	0.8
165.05556	0.9
167.03447	1.0
167.10739	0.7
168.00655	4.1
169.01451	19.8
170.01756	1.0
173.11812	1.3
177.05591	18.2
178.05907	1.2
179.05623	3.6
180.04271	0.7
181.05090	12.6
185.11842	0.6
187.13364	1.6
195.06662	3.6
196.07437	8.0
197.07956	0.7
201.14876	1.6
209.06654	0.5
209.11923	0.6
211.02495	2.8
211.09778	5.8
227.12836	2.3
228.13239	0.7
229.13327	0.7
246.09988	0.5
267.10822	0.9
271.04517	2.2
275.02109	0.7
300.99835	0.6
310.96243	0.6
313.05435	1.4
359.28033	0.7
373.14944	0.8
375.27585	0.8
377.29095	14.2
378.29303	1.6
495.18277	0.9
521.19415	1.8
539.20984	69.4
539.33990	69.5
540.21509	11.0
540.34509	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	539.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03451	1.5
58.00589	1.3
59.01381	56.4
60.01718	4.2
61.01812	3.3
61.98829	5.6
65.57949	0.7
69.03450	0.9
69.45453	6.9
71.01025	1.2
71.01389	13.8
72.01743	0.7
72.99313	1.3
73.02955	5.8
75.00872	0.7
75.65595	0.5
76.91194	0.6
80.62520	0.6
83.01392	1.8
83.05001	0.8
85.02965	5.6
87.00888	4.2
89.02459	9.9
95.01388	1.6
95.05043	0.7
97.03033	1.1
99.00870	1.1
99.04527	0.8
101.02453	8.4
103.04025	4.5
105.00157	0.6
105.03488	1.2
105.05602	1.3
107.01373	1.8
107.96630	0.6
108.02177	0.7
111.00928	0.9
113.02467	4.5
119.03509	3.5
121.02985	1.7
122.03760	2.7
123.00896	6.8
124.01729	0.6
125.02464	10.2
127.04055	0.6
133.02940	0.9
135.04538	4.8
136.98828	0.7
137.02513	1.0
138.03206	1.2
139.00410	1.6
140.01187	1.7
143.03482	0.7
147.04510	11.3
147.06450	0.6
148.05254	0.7
149.02455	11.9
149.06090	4.6
151.00388	5.0
151.04027	2.0
153.05621	1.0
161.02463	19.3
161.04510	1.4
162.04956	0.7
163.04021	0.8
163.06146	9.5
163.07397	1.2
164.03429	1.3
164.04811	21.9
165.01942	2.3
167.07152	31.3
168.00690	2.4
168.07495	1.1
169.01456	10.1
170.01842	1.2
176.04807	17.8
177.02014	0.9
179.03519	25.2
179.07137	23.5
180.04103	2.6
180.07516	1.5
181.20941	0.7
191.07161	9.4
192.04366	1.0
193.08701	1.4
194.05858	33.8
195.06570	4.8
207.06645	1.0
208.35690	0.6
209.08205	100.0
210.08488	5.8
210.12090	0.7
211.02582	2.4
225.07727	1.2
225.14966	1.8
227.12924	6.4
227.15144	1.1
228.13161	3.5
229.13448	2.9
243.13197	0.7
250.10155	1.0
251.10336	0.7
267.10956	0.8
268.11148	1.0
269.11469	1.4
271.04568	2.2
272.04871	0.9
287.15005	1.3
311.11319	3.9
312.12155	5.0
313.12930	44.0
314.13251	3.7
355.14120	1.0
367.13974	21.2
368.14478	1.9
377.29260	0.9
449.20306	0.8
491.19064	8.2
492.19571	1.2
503.19141	8.0
504.19794	1.3
521.19702	2.0
521.25458	2.3
538.25989	1.3
539.20923	35.6
539.26672	27.0
540.20538	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	539.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63241	0.3
57.03422	0.5
57.82228	0.3
58.00542	1.0
59.01379	19.0
60.01675	0.3
61.98835	2.8
67.01892	0.3
69.03424	0.5
69.45628	0.3
71.01381	7.2
72.99280	0.7
73.02954	2.3
77.00679	0.3
83.01366	0.4
85.02964	3.4
87.00877	1.5
88.98782	0.7
89.02460	9.4
93.03432	0.5
95.01344	0.5
98.19894	0.7
99.00854	0.4
101.02452	4.8
103.04024	5.4
107.01393	0.4
108.02202	2.9
109.02967	4.0
113.02466	1.5
117.03456	0.8
119.03521	3.4
119.05001	0.6
122.03725	0.3
123.00884	1.7
123.04517	0.9
124.01669	0.4
125.02475	3.1
128.72266	0.3
131.03479	0.9
134.03760	13.4
135.04482	1.3
137.02449	6.8
138.03262	2.1
139.00397	0.6
140.01115	0.4
145.02951	2.1
145.05045	1.3
146.03758	42.9
147.04219	1.8
149.02509	0.4
149.04579	0.8
149.06099	10.4
150.03253	3.2
150.06433	0.7
151.00372	1.2
151.04044	5.6
151.50830	0.3
152.01170	2.0
152.04758	0.9
153.01955	3.8
161.02536	0.6
161.06105	15.7
162.03255	4.1
162.06454	1.2
163.04099	2.8
163.06140	14.1
163.07310	0.4
163.64398	0.3
164.04813	29.0
165.05569	3.7
166.96463	0.3
168.00594	0.6
169.01436	3.7
177.05588	15.3
178.06076	0.7
179.07153	100.0
180.04323	0.4
180.07512	5.4
181.05096	0.9
182.05864	27.1
183.06560	3.4
183.81113	0.3
193.08731	0.6
195.06741	1.3
197.08202	26.6
198.08560	1.6
199.13414	0.5
208.07385	0.4
210.05440	0.6
211.02603	1.1
211.06084	2.7
223.09767	0.4
225.07578	1.5
237.07741	0.4
271.04602	2.6
315.07361	0.4
327.11185	0.4
328.11612	6.1
329.12170	0.8
331.06906	0.7
341.12433	3.6
341.72073	0.3
342.13177	2.4
343.13980	13.0
344.14481	1.3
347.21060	0.5
359.11578	0.7
369.15939	0.4
374.13959	0.4
377.29208	1.5
385.15140	0.5
389.16013	2.1
397.15051	12.9
398.15274	1.8
451.13232	0.3
458.20938	0.5
479.25125	0.4
491.19312	2.6
503.19183	3.4
504.19785	0.5
521.20343	2.6
522.21362	0.5
539.21838	12.1
539.33789	2.7
540.22205	1.5
540.35284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69317	0.4
58.00583	1.1
59.01379	13.6
70.72292	0.7
71.01388	3.3
72.99300	0.8
73.02937	2.1
85.02967	2.0
87.00889	1.6
89.02454	5.7
101.02450	3.9
103.04016	5.7
108.02177	1.8
109.02953	0.5
119.03535	2.3
122.03860	0.4
123.04530	1.7
125.02448	0.7
134.03758	13.0
135.04593	0.9
137.02472	1.3
137.39810	0.3
138.03284	2.3
145.02977	1.8
145.05064	1.8
146.03755	39.5
147.04085	2.3
149.06099	13.3
150.03214	2.5
150.06380	0.6
151.04041	6.0
161.06104	16.8
162.03270	4.1
162.06407	1.0
163.04103	2.6
163.06136	10.9
164.04813	28.4
165.05574	5.1
177.05586	17.2
178.06017	0.7
179.07149	100.0
180.07507	5.7
182.05928	2.3
183.06627	3.7
195.06624	0.8
197.08170	2.9
210.05157	0.5
211.06154	3.6
225.07848	1.9
277.03247	0.4
328.11649	10.6
329.12091	0.9
341.12308	3.5
342.09286	0.4
342.13083	2.0
343.13977	18.8
344.14261	1.9
369.15610	0.8
377.29099	0.7
385.14859	0.5
397.15033	16.0
398.15396	1.3
415.15704	0.4
491.19153	2.9
492.19788	0.6
503.19296	3.5
504.19321	0.8
521.20599	1.9
522.20294	0.5
539.21350	5.2
539.34479	1.1
540.21637	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03445	2.4
58.00575	1.4
59.01382	26.2
61.98833	9.4
68.99837	0.7
69.03473	0.9
71.01387	16.6
71.18806	1.3
72.99311	1.6
73.02952	2.5
75.35224	0.6
79.01922	0.6
81.03464	1.8
83.01389	2.0
85.02953	6.6
87.00907	2.0
89.02453	13.9
91.01886	1.2
95.01389	2.9
97.02977	0.9
99.00883	0.7
99.04527	0.6
101.02461	8.5
107.01421	1.6
108.02188	43.8
109.02977	47.3
110.03314	1.6
111.00866	0.6
113.02468	4.9
119.03516	3.3
121.02972	1.7
123.00907	6.7
123.04485	1.3
124.01762	0.7
125.02467	7.1
131.03517	1.7
132.56313	0.6
135.00908	2.3
135.08202	0.8
136.01259	1.1
137.02460	13.3
137.09740	4.2
138.03255	0.7
139.00391	1.3
140.01170	0.9
146.03716	0.9
149.02463	1.1
149.04587	2.5
150.03259	1.3
151.00407	3.4
151.04002	4.9
152.01175	59.2
153.01962	35.8
153.05521	0.6
154.02304	3.2
155.02464	1.6
157.95280	0.5
159.02977	0.7
161.02502	1.4
161.04565	2.0
161.09770	1.2
163.04019	2.2
163.07668	2.4
165.01930	1.2
165.05585	2.4
167.03545	0.6
168.00645	2.3
169.01450	9.3
170.01758	0.8
179.05647	1.4
179.07175	1.9
179.10783	1.5
181.05063	1.7
181.08769	2.9
181.53593	0.5
182.05858	56.5
183.06192	3.0
185.11957	0.7
195.06645	2.1
197.08202	49.3
198.08527	2.6
199.13393	1.5
201.14995	2.5
211.02463	4.0
255.21338	0.7
271.04620	4.9
313.05402	0.7
313.12985	0.7
315.07214	5.1
331.06796	0.6
347.20715	2.0
359.11148	2.0
374.13611	0.8
377.29065	7.7
378.29233	0.7
389.16113	3.6
477.17627	2.5
479.15549	4.7
479.25311	1.0
479.32224	1.5
495.18488	4.4
521.16479	1.1
539.17120	100.0
539.34149	15.2
539.94678	0.7
540.17596	18.1
540.34595	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	539.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
59.01382	46.1
61.98825	6.7
67.01881	0.9
69.03476	1.6
69.53385	4.3
69.53813	4.3
71.01389	19.9
72.01707	0.9
72.99310	3.5
73.02954	6.3
75.00870	2.2
81.03447	2.2
83.01367	2.4
85.02959	6.9
87.00897	3.6
87.04501	1.1
88.98802	1.9
89.02457	16.5
91.05541	5.0
93.03475	4.8
95.01401	2.7
96.96090	1.6
97.02941	1.0
99.00873	2.4
101.02455	17.4
102.98667	0.9
107.01385	3.7
107.05042	15.2
108.02189	33.5
109.02976	20.8
109.06583	1.5
111.00899	3.1
113.02476	8.2
119.03491	3.9
119.05031	1.9
120.99680	3.0
121.02971	5.0
122.03755	1.6
123.00910	8.4
123.04551	5.0
124.01669	4.0
125.02461	21.2
131.03545	1.8
133.01283	1.0
133.02983	1.2
134.03775	6.6
135.04541	100.0
136.04909	3.6
136.99020	1.0
137.02489	5.3
137.06094	7.6
139.00378	3.7
139.04036	2.0
140.01176	1.9
141.01945	1.2
145.02985	4.3
146.03738	3.3
149.02441	4.5
149.04553	1.4
149.06105	6.1
150.03249	14.4
151.00359	5.9
151.04042	4.3
152.01180	32.3
153.01996	15.9
153.12875	1.2
160.04002	2.0
161.04695	3.7
161.06134	2.5
162.03238	1.3
163.04002	2.7
163.11308	26.8
164.04805	2.3
164.11638	2.0
165.01971	1.8
165.05585	13.4
166.02716	2.1
166.99794	1.2
167.03481	6.6
168.00667	5.6
168.03784	1.1
169.01462	26.7
170.01793	1.7
177.01993	1.3
179.03491	1.2
179.07162	3.6
180.04254	1.6
181.03621	0.7
181.05083	21.4
183.02823	1.2
193.05049	2.1
195.06630	10.6
205.03780	3.3
211.02486	18.2
211.06126	1.2
212.02879	1.2
225.11357	1.6
235.06102	7.1
243.12372	4.2
253.07086	1.5
271.04587	21.2
272.04904	1.4
275.02011	1.3
283.10782	1.4
297.06073	1.9
309.95575	1.0
311.07654	3.0
313.05624	1.7
329.10193	7.2
331.06723	2.5
341.10291	3.4
343.10483	1.4
343.14230	1.4
347.11401	1.0
347.17096	4.9
359.11301	18.0
360.11673	2.2
377.12415	20.5
377.17056	1.0
378.12701	3.5
387.09073	1.0
387.16614	26.3
388.16946	3.7
421.11545	1.8
433.07458	1.1
465.10361	1.9
479.15250	2.2
479.21393	8.4
480.21707	1.8
491.19522	8.2
492.19919	1.4
495.84106	1.0
497.37085	1.0
501.19275	2.2
507.16379	6.3
521.15771	1.8
539.15808	43.3
540.17267	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	539.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.1
59.01382	9.8
60.84132	0.5
61.98831	10.2
67.01889	1.3
68.99870	0.5
69.03435	1.1
71.01380	6.2
72.99299	1.9
73.02940	1.8
73.95878	0.5
75.00871	1.9
79.01882	0.9
82.16739	0.5
83.01385	2.0
85.02958	3.5
86.19854	0.5
87.00881	1.6
88.98805	2.0
89.02430	3.7
91.05520	0.8
93.03502	0.8
95.01370	2.7
96.96021	8.7
97.02940	0.8
98.19898	1.4
99.00888	0.7
101.02439	3.6
101.76771	0.5
102.05058	0.5
107.01401	6.1
107.05013	2.3
108.02178	1.5
109.02951	1.8
111.00903	4.0
113.02444	2.4
119.03503	1.2
120.99643	1.8
121.02992	3.1
122.03754	1.2
123.00896	14.8
123.04486	1.0
124.01662	2.3
125.02463	32.6
126.02766	0.6
127.00378	2.3
131.66138	0.6
134.03735	1.3
135.04536	13.8
136.01685	0.6
136.98785	2.8
137.02432	2.1
137.06097	1.4
138.03212	2.3
139.00403	8.2
139.03996	2.1
140.01189	4.8
141.01929	2.0
145.02901	1.3
149.02452	2.5
149.06099	1.0
150.03255	2.7
151.00375	9.1
151.03993	2.4
152.01109	1.3
153.01985	3.0
153.05563	0.9
161.04651	1.0
161.06009	0.8
162.03241	0.6
163.03996	1.2
163.07640	1.2
163.11305	1.8
164.01030	0.6
164.04765	0.6
165.01956	6.7
165.05591	12.6
165.06937	0.4
166.02690	2.2
166.06023	0.6
166.99883	1.2
167.03519	2.7
168.00652	8.0
169.01442	52.2
170.01779	1.8
175.03949	0.7
177.01941	3.5
177.05591	0.6
178.02673	0.8
179.03496	2.7
179.07149	0.9
180.04266	6.2
181.05089	4.7
181.08626	0.5
182.02232	0.7
183.03021	4.9
187.09367	0.6
189.01994	0.7
189.05623	0.5
191.03455	0.6
192.04279	1.8
193.05066	1.3
194.05800	1.2
195.02913	0.9
195.06644	8.1
204.04196	0.6
204.79770	0.5
207.06554	1.6
209.04634	0.6
210.01675	0.7
210.05269	0.6
211.02428	4.3
219.06493	0.6
221.04388	0.6
223.02509	0.9
223.06122	1.0
225.04004	2.0
225.07669	11.2
226.08009	0.6
235.06157	1.1
241.03523	1.2
249.03946	0.6
253.03487	1.1
271.04590	2.4
285.06097	2.2
297.06189	2.2
297.74384	0.5
300.99774	1.1
313.05615	14.5
314.05936	1.3
317.06778	1.2
318.39258	0.6
325.11389	0.6
327.07199	1.6
329.10486	0.8
331.08231	0.6
332.08896	3.1
341.09973	0.6
346.10098	0.8
347.11166	5.5
347.17062	1.7
359.11331	2.1
377.12418	14.2
377.17120	0.8
378.12680	1.1
387.12512	3.7
387.17245	1.1
396.40747	0.5
449.15088	1.3
463.08911	0.6
476.18610	0.7
479.21518	2.0
481.09894	3.2
491.19275	1.6
501.19592	1.5
507.15878	0.6
509.12878	26.0
510.13165	3.2
521.12659	3.2
539.13940	100.0
540.14197	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	537.3064
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
57.03450	3.0
57.12408	0.3
57.56760	0.3
58.00605	0.7
58.75346	0.4
59.01384	4.7
61.98830	8.8
69.03434	0.5
71.01374	0.9
71.04171	0.5
71.04496	0.8
71.05018	0.9
71.05394	0.3
73.02933	0.7
75.00858	0.8
78.95895	0.4
83.05032	1.9
85.02937	0.5
85.06602	0.5
87.00883	3.1
87.04495	0.9
88.98815	0.7
89.02460	1.1
91.05518	0.6
93.03419	0.9
95.05014	1.4
96.95998	0.7
97.06606	5.9
98.10027	0.3
98.34663	0.4
99.04520	2.8
101.06074	0.8
106.10642	0.3
107.05037	0.7
109.05878	0.4
109.06610	8.7
111.04514	2.1
111.08157	1.9
119.05023	0.4
121.06594	0.9
123.08179	10.4
125.06066	0.9
125.09719	0.9
127.07671	0.8
133.06572	0.4
135.08176	9.7
136.05267	0.5
136.08502	0.4
137.06062	0.8
138.06892	4.2
139.07668	2.6
141.02226	0.4
141.09247	7.9
147.08145	0.4
149.06058	1.6
150.06882	15.5
151.07462	0.9
153.09235	19.8
154.09494	0.7
155.10739	0.4
157.08719	5.3
161.04756	0.4
162.06886	24.4
163.07663	6.3
164.08423	2.7
165.09163	0.9
176.08470	1.9
177.09222	10.9
178.09634	0.7
179.09535	0.4
179.10811	5.8
185.08244	0.7
187.09773	18.9
188.10080	0.5
199.09741	0.6
203.09227	1.3
205.12267	0.6
215.09224	0.8
216.70134	0.4
217.10814	43.5
218.11113	2.5
259.17041	1.3
277.17932	1.0
280.15784	0.5
291.19556	0.4
319.19116	0.8
320.19946	0.5
321.20248	0.5
323.18335	0.5
337.20032	1.7
341.19705	10.5
342.19934	0.9
359.20737	3.8
360.20706	0.4
401.30161	0.4
441.30115	1.5
501.27792	6.0
502.28677	0.8
519.29523	19.5
520.29596	2.4
537.30554	100.0
538.30896	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.8
59.01379	6.4
61.98832	15.1
61.99130	0.9
69.03474	0.5
71.01411	2.3
71.05052	1.5
71.66699	0.9
73.02978	1.3
75.00897	1.1
78.95924	0.7
80.96542	0.7
81.29113	0.5
83.05061	1.0
85.02995	1.5
85.06644	1.1
87.00896	1.4
87.04561	1.1
89.02458	3.9
95.05054	1.2
96.96027	0.8
97.06603	8.8
99.04518	2.9
101.02487	1.4
107.05060	0.8
109.06606	7.2
111.04550	1.6
111.08161	3.6
113.02504	0.9
113.06100	0.6
113.09709	0.8
119.14426	0.5
123.04581	0.6
123.08178	26.0
124.08517	1.3
125.02428	0.7
125.06235	0.5
125.09761	0.9
135.08173	6.6
137.06137	0.6
138.06909	2.2
139.07726	0.7
141.09225	13.0
144.07393	0.5
149.06134	0.8
150.06876	6.5
151.07622	0.9
153.09224	11.9
157.08710	1.4
161.43930	0.5
162.06891	10.9
162.08272	0.5
163.07658	6.3
164.08275	1.1
167.84225	0.5
169.08635	0.5
171.10237	0.6
176.08484	0.6
177.09248	3.7
178.09758	0.7
179.10793	2.3
183.43317	0.5
187.09770	100.0
188.06180	0.6
188.10097	5.4
203.09309	1.0
215.09195	0.6
217.10803	37.9
218.11136	2.0
221.11876	1.1
337.20184	0.7
341.19553	1.9
345.22742	1.1
349.20154	0.7
359.20792	3.2
405.28522	0.7
409.82501	0.6
474.16251	0.8
475.34280	1.2
501.32089	0.6
506.19067	1.0
519.29169	3.6
537.30359	69.1
538.30591	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	537.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62013	0.5
55.01854	0.5
57.03440	1.5
58.00583	2.1
59.01382	33.6
60.01704	0.6
61.98833	8.8
62.79995	0.5
63.76091	0.5
69.03447	1.3
70.76285	1.8
71.01390	23.3
72.99296	1.8
73.02956	7.1
83.01406	2.7
83.05035	0.5
83.26984	0.5
85.02966	7.0
87.00894	4.2
87.04492	0.7
88.98804	2.2
89.02456	23.0
95.01408	1.1
97.02946	0.6
97.06623	0.7
98.20553	0.6
99.00861	0.9
101.02457	14.7
103.04012	1.6
109.03005	0.5
110.57880	0.5
111.04494	0.6
111.08163	0.8
113.02473	8.3
119.03510	8.3
120.99638	0.9
121.02934	0.7
123.00940	0.5
125.02468	2.2
137.02509	0.6
143.03511	1.6
147.06653	1.8
149.04550	0.8
152.01091	0.7
153.09218	0.6
161.04582	2.1
165.07719	13.1
165.12883	8.6
166.08026	0.5
167.03540	0.8
167.14497	0.8
168.00676	0.6
169.01405	1.6
179.05623	2.3
179.06996	0.5
183.13927	40.0
184.14301	2.5
189.07721	0.7
195.13907	1.0
197.15489	12.5
207.13895	1.4
209.11838	1.2
213.14926	7.9
225.14957	1.9
227.12881	8.3
227.16408	0.8
241.14502	0.9
251.12985	1.1
255.16058	0.8
269.13989	0.6
271.04587	0.7
309.11780	1.4
323.09863	1.4
327.12964	14.5
328.13467	1.0
341.10825	4.0
474.30698	0.6
477.23407	2.6
519.24017	1.0
537.25470	100.0
537.32318	5.9
538.25842	12.8
538.32819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2549
Annotation	Alangionoside O
Peak:m/z	Relative Intensity
52.74520	0.5
55.01882	0.9
57.03445	1.5
58.00584	0.5
59.01382	82.8
60.01725	0.7
61.98836	1.1
68.64076	0.5
69.45007	4.5
69.45433	1.7
71.01388	12.5
71.01755	1.0
72.99341	0.7
73.02957	5.1
75.44927	0.5
83.01408	2.4
85.02966	5.4
87.00886	1.0
87.04536	1.3
89.02457	4.8
95.01414	1.2
97.02981	0.7
98.19872	1.1
99.00915	1.1
99.04532	1.8
101.02454	10.8
105.05596	4.7
111.00916	0.9
113.02466	5.4
117.05630	0.8
119.03534	2.3
119.47991	0.6
124.01704	0.5
125.02498	3.0
143.03554	1.2
147.06642	1.2
159.03067	0.7
161.04591	5.4
165.12875	0.9
168.00691	1.2
169.01498	2.7
175.78442	0.5
189.12860	1.0
207.13969	1.6
209.11861	5.1
211.02475	3.0
217.92029	0.5
225.11452	1.5
225.14912	4.7
227.12900	23.5
228.13165	0.8
249.09779	4.3
251.12920	0.5
267.10867	7.0
269.13956	1.5
271.04504	4.8
287.15067	0.8
309.11996	2.1
331.06906	1.8
380.41632	0.6
409.18863	0.6
519.24634	5.9
520.24255	0.9
537.25580	100.0
538.18512	0.9
538.26013	14.0
538.34058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03454	1.6
59.01383	86.6
60.01714	0.9
60.98648	0.5
61.62962	0.4
69.03458	0.4
69.61154	3.9
71.01390	12.8
73.02954	5.4
83.01431	1.4
85.02967	5.0
87.00866	0.5
87.04525	0.7
89.02462	6.0
95.01419	1.4
97.03007	0.5
97.06544	0.5
99.00901	1.2
99.04527	1.5
101.02466	10.1
105.05594	3.0
113.02465	5.1
117.05592	0.8
119.03542	1.8
123.00936	0.6
125.02444	2.5
128.26987	0.5
140.01181	0.8
142.09396	0.5
143.03540	0.9
147.06691	1.7
151.00389	0.6
159.03056	1.2
161.04602	4.1
165.12862	0.7
168.00648	0.6
169.01471	3.0
181.12383	0.7
189.12900	0.8
207.13910	1.9
209.11855	5.3
211.02582	2.1
225.11339	1.8
225.14928	6.0
227.12901	25.2
228.13371	1.3
243.12474	0.5
249.09802	5.9
251.12852	0.9
267.10818	6.0
269.13895	1.1
271.04547	3.5
287.15225	0.9
303.78183	0.4
309.11923	2.1
331.06787	2.1
365.92368	0.5
424.32275	0.4
519.24463	6.1
520.24908	0.8
537.25592	100.0
538.18518	0.9
538.26007	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	537.2553
Annotation	Alangionoside O
Peak:m/z	Relative Intensity
55.01876	1.8
57.03449	5.2
58.00594	4.5
59.01379	69.5
60.01717	0.9
60.99317	0.3
61.98829	4.0
65.00317	0.3
68.99831	0.3
69.03464	2.1
71.01386	79.0
71.05025	2.0
71.68536	0.4
72.01717	1.2
72.99309	5.2
73.02953	11.3
73.06589	0.2
74.67563	0.3
74.99097	0.3
75.00874	1.2
78.95917	0.4
80.51283	0.2
81.03457	1.4
83.01392	6.1
83.05044	0.8
83.91769	0.2
84.02162	1.2
85.02959	18.9
86.03315	0.4
87.00883	3.5
88.98806	1.6
89.02454	81.5
90.02792	1.4
93.03472	0.4
95.01395	4.1
95.05035	0.7
96.96028	1.5
96.96960	0.6
97.02962	5.5
97.06639	0.3
98.03790	0.4
99.00894	8.4
99.04509	1.1
101.02456	50.4
101.06097	6.4
102.02794	1.2
107.05018	0.3
109.02956	0.8
109.06599	2.5
111.00899	0.8
111.04543	0.7
113.02467	24.4
113.06095	0.8
114.02810	0.7
115.00427	0.3
115.04018	0.7
116.92867	1.1
119.03516	18.4
119.04948	0.6
120.03864	0.4
121.06577	0.3
123.00892	0.7
123.04534	0.6
123.08180	6.5
124.01632	0.3
125.02459	10.4
125.06101	1.6
126.02805	0.5
129.01945	2.3
131.03522	33.6
132.03871	1.0
133.01456	0.4
133.02985	0.5
135.04530	1.2
135.08217	0.5
136.05302	0.4
136.99062	0.3
137.02455	0.5
137.05997	0.2
137.09729	1.4
138.06883	16.7
139.00381	0.3
139.07726	1.6
141.09239	10.6
142.09555	0.5
143.03528	6.2
145.02867	0.3
147.04521	0.5
149.04575	25.2
149.05946	0.9
149.09744	1.0
150.04861	0.5
151.00346	0.3
151.04074	0.5
151.07678	0.3
151.11284	1.2
153.09230	22.1
154.09541	1.2
155.10751	0.3
159.03044	1.4
161.02441	0.9
161.04573	12.6
163.00391	0.3
163.03993	0.8
163.11282	0.5
165.09209	0.8
167.03534	0.3
167.10832	1.1
169.01385	1.3
169.05101	0.2
173.04578	0.8
175.04002	0.3
177.01935	0.5
177.12871	1.3
179.03519	0.9
179.05629	7.3
180.05916	0.3
181.12334	3.5
189.12852	0.6
189.51025	0.2
190.02696	0.3
191.05623	18.8
192.06021	0.7
194.11737	0.4
195.13922	4.0
197.11755	0.3
205.03448	0.4
205.12352	0.7
207.13934	1.8
215.05473	0.3
217.01404	0.4
219.03027	0.4
221.06677	0.4
223.13434	0.6
225.14966	4.5
226.15279	0.4
229.01418	0.6
231.02805	0.2
233.06619	1.6
233.10245	0.5
241.14584	0.3
243.16008	33.6
244.16351	2.6
245.00864	0.4
248.03325	0.3
249.04129	0.9
251.07692	1.5
257.01028	0.3
267.03235	0.3
275.01947	1.2
293.08752	4.0
295.10968	0.3
297.08618	0.4
301.00046	1.6
311.09927	0.5
313.12119	0.4
327.12585	0.7
339.12515	0.4
341.08630	0.4
353.11746	0.4
371.12451	0.5
387.20181	0.8
405.21295	100.0
406.21634	12.7
415.11292	0.3
447.13574	1.1
475.14563	0.5
501.12631	2.0
502.12997	0.5
519.07916	0.4
537.25446	81.8
538.25806	12.8
544.12030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
57.03407	1.5
58.00590	0.7
59.01377	51.5
59.01804	1.5
60.01694	0.6
62.85673	0.4
64.43933	0.5
67.01868	0.7
68.49942	0.6
69.03413	1.1
69.46796	0.5
69.47778	2.9
69.48208	2.3
71.01382	12.9
71.22179	0.6
72.99258	1.8
73.02950	7.4
75.00877	4.7
79.01875	0.8
82.55579	0.6
83.01408	2.5
85.02946	4.7
87.00881	12.1
89.02457	6.3
95.01406	2.6
97.02933	0.9
97.06541	0.8
98.19888	0.8
99.00834	1.8
99.04486	1.5
99.52479	0.5
101.01781	0.6
101.02448	11.1
105.01941	6.7
107.01424	3.5
111.00827	1.7
113.02439	5.6
117.91485	0.5
119.03440	2.0
123.00896	9.5
124.01683	0.8
125.02461	14.3
126.02662	0.6
131.03448	0.9
136.05215	0.7
136.98741	0.8
137.51718	0.7
139.00383	2.5
139.11290	4.3
140.01187	3.1
140.11647	0.5
141.01869	1.2
143.03413	1.0
145.19136	0.6
145.81288	0.5
149.04468	0.5
149.08105	0.8
151.00389	6.9
153.01898	0.5
161.04471	2.0
163.11209	0.7
165.01930	0.6
165.12758	0.6
168.00644	4.4
169.01439	22.3
170.01614	0.7
181.12212	1.7
183.10248	3.4
184.10553	0.6
190.27298	0.5
205.12204	1.3
207.13713	2.2
209.11858	3.0
211.02504	5.3
225.11394	2.5
225.14944	4.1
227.12885	14.9
228.13124	0.9
233.08041	0.9
237.05910	1.8
243.12199	1.1
249.05969	2.3
249.09593	0.5
251.12700	0.8
267.07196	6.6
267.10025	0.7
269.14056	3.4
271.04535	6.5
287.15018	7.8
288.15204	0.9
294.19797	0.5
309.08276	4.2
313.05331	1.3
313.82568	0.5
357.13370	0.8
375.16296	1.6
401.28302	0.6
405.17188	0.7
417.16898	0.8
477.19339	1.7
519.20178	3.0
537.20020	100.0
538.20325	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	537.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
57.03407	1.5
58.00590	0.7
59.01377	51.5
59.01804	1.5
60.01694	0.6
62.85673	0.4
64.43933	0.5
67.01868	0.7
68.49942	0.6
69.03413	1.1
69.46796	0.5
69.47778	2.9
69.48208	2.3
71.01382	12.9
71.22179	0.6
72.99258	1.8
73.02950	7.4
75.00877	4.7
79.01875	0.8
82.55579	0.6
83.01408	2.5
85.02946	4.7
87.00881	12.1
89.02457	6.3
95.01406	2.6
97.02933	0.9
97.06541	0.8
98.19888	0.8
99.00834	1.8
99.04486	1.5
99.52479	0.5
101.01781	0.6
101.02448	11.1
105.01941	6.7
107.01424	3.5
111.00827	1.7
113.02439	5.6
117.91485	0.5
119.03440	2.0
123.00896	9.5
124.01683	0.8
125.02461	14.3
126.02662	0.6
131.03448	0.9
136.05215	0.7
136.98741	0.8
137.51718	0.7
139.00383	2.5
139.11290	4.3
140.01187	3.1
140.11647	0.5
141.01869	1.2
143.03413	1.0
145.19136	0.6
145.81288	0.5
149.04468	0.5
149.08105	0.8
151.00389	6.9
153.01898	0.5
161.04471	2.0
163.11209	0.7
165.01930	0.6
165.12758	0.6
168.00644	4.4
169.01439	22.3
170.01614	0.7
181.12212	1.7
183.10248	3.4
184.10553	0.6
190.27298	0.5
205.12204	1.3
207.13713	2.2
209.11858	3.0
211.02504	5.3
225.11394	2.5
225.14944	4.1
227.12885	14.9
228.13124	0.9
233.08041	0.9
237.05910	1.8
243.12199	1.1
249.05969	2.3
249.09593	0.5
251.12700	0.8
267.07196	6.6
267.10025	0.7
269.14056	3.4
271.04535	6.5
287.15018	7.8
288.15204	0.9
294.19797	0.5
309.08276	4.2
313.05331	1.3
313.82568	0.5
357.13370	0.8
375.16296	1.6
401.28302	0.6
405.17188	0.7
417.16898	0.8
477.19339	1.7
519.20178	3.0
537.20020	100.0
538.20325	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	537.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98890	0.4
57.03447	0.6
58.00596	0.5
59.01098	0.3
59.01378	7.0
61.98843	0.7
63.37300	0.4
69.03470	0.4
69.63332	3.1
71.01379	3.8
72.99311	0.5
73.02957	0.7
79.01884	0.4
83.01403	0.8
85.02982	0.9
88.63956	0.4
89.02449	2.7
95.01420	1.3
96.96039	0.7
98.19820	0.5
101.02449	2.3
107.01409	2.9
110.00103	0.5
111.00894	2.0
113.01054	0.4
113.02482	1.2
123.00906	5.3
124.01635	2.4
125.02463	20.9
126.02779	0.6
127.00377	1.1
133.02908	0.6
135.04547	0.5
136.98848	1.4
137.02481	0.6
137.09705	1.2
138.99454	0.4
139.00322	2.5
139.03998	0.6
140.01193	3.1
150.03337	0.5
151.00412	3.4
151.06102	0.7
161.02472	1.4
163.07635	0.6
165.01933	0.9
165.05522	0.6
167.03517	1.5
167.89001	0.4
168.00659	13.0
169.01445	35.6
170.01767	1.0
171.96700	0.4
179.03407	0.5
179.10876	0.6
181.08676	0.5
183.02997	0.6
211.02489	63.7
212.02898	2.8
241.03671	1.4
271.04581	100.0
272.04892	6.1
313.11414	0.5
331.06720	27.9
332.07065	2.3
406.53442	0.4
537.19885	40.3
538.20166	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	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39261	0.2
55.01879	0.4
57.03426	0.7
59.01096	0.6
59.01379	10.2
59.53354	0.2
61.98830	0.2
65.00324	0.3
67.01868	0.7
69.03444	0.7
69.34598	1.1
69.35018	1.6
70.93929	0.2
71.01387	5.7
72.99289	0.9
73.02953	1.3
75.00878	0.7
76.28205	0.2
79.01890	0.8
81.03481	0.3
81.33430	0.2
81.67930	0.3
81.82997	0.2
83.01409	1.3
85.02958	1.8
86.00124	0.3
87.00887	2.4
89.02451	3.3
95.01395	1.7
97.02934	0.7
97.06595	0.4
99.00854	0.6
101.02460	3.6
105.01915	0.8
107.01414	3.8
111.00887	2.3
113.02465	2.4
119.03488	0.9
122.99983	0.3
123.00903	12.4
124.01712	1.6
125.02470	17.8
125.06002	0.3
126.02835	0.6
127.00368	0.6
136.05328	0.6
136.98825	1.3
137.02487	0.4
139.00414	3.8
139.03981	0.3
139.11273	0.5
140.01180	3.2
141.01971	1.8
143.03520	0.3
151.00406	8.8
151.07610	0.3
152.00743	0.5
152.08487	0.4
153.01950	0.6
153.09184	1.0
154.02667	0.3
156.12965	0.3
159.03036	0.3
161.02493	0.5
161.04602	0.5
163.03986	0.3
163.11363	0.3
165.05461	0.3
167.03477	0.4
167.99205	0.3
168.00658	5.1
169.01451	25.1
170.01772	1.1
177.04019	0.5
179.03401	0.3
179.07097	0.3
181.05070	0.3
181.12372	0.5
183.02980	0.3
183.10243	0.4
205.12308	1.2
207.13951	0.4
209.04552	0.3
211.02489	7.0
212.02625	0.3
225.11288	0.4
225.14931	0.4
227.12865	1.1
237.06171	0.5
241.03398	0.4
243.00282	0.2
243.12309	0.5
252.78610	0.2
253.03406	0.3
259.19040	0.5
267.07117	1.0
269.13980	0.4
270.03857	0.4
271.01712	0.5
271.04568	6.7
272.04855	0.6
287.14926	0.9
309.08047	0.5
313.05722	1.6
331.06805	0.6
375.27393	0.6
385.11136	0.3
391.23489	0.3
415.43265	0.3
471.76053	0.3
477.19653	0.4
519.20239	0.3
537.19745	100.0
537.32996	4.5
538.20105	18.4
538.33276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03431	0.5
58.00593	0.7
59.01381	15.1
61.98822	1.3
67.01905	0.7
67.68944	0.3
69.03448	0.6
69.41328	3.9
71.01389	8.7
72.99309	1.2
73.02959	1.5
74.99159	0.3
75.00890	0.4
76.65071	0.4
79.01901	1.0
81.03432	0.4
83.01389	1.0
85.02960	2.6
87.00886	1.2
89.02453	7.2
95.01393	1.9
96.96060	0.4
97.02951	0.8
97.06590	0.6
101.02462	5.1
107.01388	3.8
109.02986	0.5
110.00111	0.5
111.00900	2.0
113.02461	3.1
119.03502	1.5
121.02992	0.4
122.99984	0.6
123.00896	14.5
124.01659	1.4
125.02465	18.5
127.00364	0.6
131.03464	0.8
135.04440	0.6
136.05316	0.6
136.98817	1.4
137.02422	0.9
139.00421	3.8
139.04048	0.7
140.01202	3.6
141.01962	1.9
145.02974	1.6
146.03722	1.1
149.04581	0.8
151.00392	11.0
152.08458	0.6
153.01964	0.7
153.09218	0.9
161.04539	0.8
163.04050	0.9
163.11331	0.6
164.04814	0.7
166.50761	0.5
167.03535	0.9
167.07176	2.6
168.00659	7.7
169.01442	29.9
170.01797	1.0
177.01984	0.4
177.04047	0.7
178.02679	0.4
179.03490	0.6
179.07135	1.3
181.12366	2.3
181.13707	0.4
183.10188	0.7
193.05061	1.5
205.12375	1.9
209.04588	0.4
211.02489	13.8
212.02823	0.5
225.05484	0.5
225.09195	0.5
225.11328	5.2
226.11647	0.5
227.12862	0.4
241.03569	0.7
243.12357	0.4
245.17656	0.5
251.07161	1.1
253.05084	1.0
256.10962	3.0
259.19058	0.5
265.08725	0.8
267.06671	1.4
267.09964	0.5
268.07065	0.6
271.04593	19.6
272.04974	1.4
283.09741	0.9
284.10590	2.3
295.09698	1.7
296.10532	3.7
297.11127	1.9
308.60397	0.4
310.08502	2.3
311.09229	8.6
312.10022	14.6
313.05832	1.8
313.10376	1.5
327.12366	32.1
328.12650	3.5
331.06726	4.6
357.11798	1.1
375.16776	3.8
375.27390	1.0
376.16931	0.5
455.62012	0.4
493.17108	1.2
519.18927	3.2
537.19733	100.0
537.32886	7.0
538.20020	14.1
538.33142	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	537.1976
Annotation	Hyuganoside IIIa
Peak:m/z	Relative Intensity
55.01860	0.9
56.58370	0.5
57.03428	1.6
58.00581	2.0
59.01382	39.7
60.01731	0.5
60.99279	0.4
61.98832	5.3
65.00323	1.0
67.01878	1.3
68.99803	1.0
69.72692	3.5
71.01389	22.7
72.01720	0.4
72.99316	2.9
73.02952	5.2
75.00853	0.6
82.00606	0.8
83.01401	4.3
83.33675	0.4
85.02961	6.3
86.00080	0.6
87.00882	3.4
87.04519	1.1
88.98794	1.4
89.02457	21.2
90.94190	0.4
91.01867	0.8
95.01393	3.1
96.95998	1.1
97.02950	0.5
99.00865	1.5
101.02455	15.4
106.00597	0.9
107.01383	1.0
108.02163	0.5
109.02982	2.1
110.00090	1.9
111.00901	11.4
113.02469	8.8
119.03521	7.6
121.02945	0.6
121.06529	0.5
123.00917	6.2
123.08150	0.8
124.01697	5.2
125.02480	6.7
127.00414	4.2
131.03534	2.1
133.05058	0.9
134.03737	3.0
135.00914	1.1
135.04535	0.8
136.98831	7.8
137.02441	0.6
139.00395	13.6
139.01427	0.5
139.11293	0.8
140.01187	20.4
143.03481	1.6
144.34770	0.4
146.03764	9.4
149.04637	0.7
149.06047	2.1
151.00360	3.2
153.01918	0.9
153.09216	0.7
154.99837	1.2
159.02977	0.6
161.02489	0.5
161.04530	2.7
161.05936	3.0
162.03261	0.9
163.03925	0.8
164.04832	6.0
165.05403	0.8
166.99849	1.0
168.00670	21.0
169.01454	7.4
177.05563	2.2
179.03514	0.9
179.05591	5.0
179.07120	18.5
180.07495	0.7
187.13345	0.9
194.05801	0.7
201.14893	0.6
209.08127	1.4
209.11993	0.6
211.02501	1.8
216.13698	0.7
225.11307	0.6
225.14803	0.6
227.12900	2.8
241.14543	1.0
243.12128	0.5
245.17453	0.5
245.65002	0.5
255.10349	0.6
267.10739	0.7
271.04611	2.3
286.11133	0.5
295.10251	2.0
295.13269	0.6
313.11716	0.7
313.14505	4.1
314.14752	0.5
329.77689	0.5
331.06659	0.7
331.15436	0.9
345.19156	1.0
357.13202	1.7
359.13522	0.5
375.27509	7.3
376.27686	1.1
421.24121	0.5
429.10327	1.6
447.09052	0.5
477.23245	1.7
493.20508	2.0
507.19104	0.6
519.18579	2.5
537.19507	100.0
537.32117	31.1
538.19928	16.0
538.32678	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	537.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
58.00596	0.3
59.01377	5.8
60.13152	0.2
61.98830	5.3
65.00336	0.5
65.03963	3.6
67.01889	1.6
68.55831	0.2
69.49215	1.6
69.49634	0.8
71.01385	4.6
72.99321	0.6
73.02950	0.9
78.06577	0.2
80.78583	0.2
81.03510	0.2
83.01385	0.6
85.02941	1.6
87.00896	0.6
88.98827	0.3
89.02460	3.8
91.01900	21.8
92.02259	0.5
95.01373	0.4
95.05058	0.3
96.96046	0.2
97.06580	0.3
98.20673	0.5
100.14588	0.2
101.02444	2.6
107.01412	0.3
108.02182	1.6
109.02965	25.8
110.03317	0.7
111.00819	0.3
113.02485	1.3
114.15889	0.2
119.03511	1.3
121.02953	0.5
123.00922	0.8
123.04497	0.3
124.01703	0.3
125.02440	1.9
131.03525	0.4
133.05162	0.3
135.00903	74.9
136.01213	2.5
136.98880	0.4
137.02402	0.5
139.00403	0.8
140.01149	0.8
143.03511	0.3
149.02411	0.4
151.00391	0.6
152.01175	1.3
153.01953	100.0
154.02274	2.8
161.04555	0.7
167.03564	0.3
168.00624	1.0
169.01439	1.6
175.00354	0.4
175.04027	0.6
177.01926	0.7
179.05577	0.6
179.07074	0.4
190.02682	0.4
195.03006	0.4
195.06670	0.3
197.11853	0.3
201.15021	0.3
205.05075	0.6
207.03056	0.2
217.14464	0.4
225.11298	0.3
227.12808	0.2
243.04279	0.3
243.06599	4.1
271.04724	0.3
292.63080	0.2
297.06180	3.5
297.11490	0.4
345.19040	0.4
375.27438	1.3
424.78287	0.3
429.10312	4.6
430.10654	0.3
474.20645	2.0
477.22800	0.4
493.20398	0.3
537.19366	7.5
537.32532	5.2
538.19702	0.8
538.32843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61013	0.1
56.41997	0.1
57.03447	0.5
58.00610	0.2
59.01378	5.2
60.01697	0.1
61.98829	3.9
64.54298	0.1
65.00333	0.7
65.03963	3.5
67.01884	1.7
68.99834	0.2
69.03472	0.2
71.01385	4.2
71.01756	0.3
71.05011	0.1
72.99315	0.4
73.02937	0.9
75.00900	0.2
83.01413	0.5
85.02966	1.4
86.81770	0.1
87.00897	0.4
87.04550	0.3
89.02458	3.0
91.01904	21.9
92.02223	0.8
95.01418	0.4
99.00901	0.3
101.02453	2.5
103.24116	0.2
103.86514	0.2
107.01388	0.2
107.05013	0.2
108.02183	1.8
109.02966	26.8
110.03312	1.0
111.00876	0.3
113.02457	1.7
119.03520	1.0
120.99633	0.2
121.02970	0.5
121.10195	0.2
123.00936	0.7
124.01693	0.2
125.02442	1.7
129.01974	0.2
131.03513	0.4
133.02969	0.3
135.00903	73.6
136.01216	3.4
136.98831	0.2
137.02460	0.5
137.09714	0.2
139.00395	0.7
140.01132	0.6
141.01961	0.2
143.03502	0.4
143.10799	0.1
145.03026	0.2
147.04524	0.2
149.02399	0.4
149.04553	0.5
151.00377	0.4
151.04018	0.3
152.01172	1.9
153.01955	100.0
154.02293	4.2
159.04451	0.2
161.02534	0.3
161.04611	0.9
163.03972	0.2
167.03537	0.3
168.00661	0.5
169.01476	1.4
175.03990	0.5
177.01945	0.7
179.05626	0.5
179.07150	0.3
183.13901	0.3
190.02699	0.5
191.03452	0.2
191.05659	0.3
195.03014	0.2
195.06654	0.2
197.11818	0.3
205.05049	0.4
210.05133	0.2
211.02475	0.3
217.14417	0.2
225.11313	0.5
227.12799	0.3
234.51367	0.1
239.12785	0.2
243.04262	0.3
243.06606	3.6
244.06883	0.4
271.04526	0.3
287.16791	0.2
297.06168	3.1
298.06528	0.3
301.00000	0.2
313.14395	0.2
345.19165	0.4
363.20114	0.2
367.10178	0.2
375.27448	1.6
429.04794	0.3
429.10394	4.4
430.10629	0.7
432.43124	0.2
474.20386	0.7
477.23087	0.3
502.64401	0.2
537.19434	8.3
537.32428	4.5
538.19800	1.6
538.32819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01443	1.6
60.99335	0.1
61.98551	0.3
61.98899	3.8
63.02486	0.1
65.00395	0.7
65.03992	0.2
69.03527	0.2
71.01457	0.7
71.71780	0.2
73.02973	0.2
74.81374	0.1
75.00493	0.3
75.00880	1.8
76.29324	0.1
77.04081	0.1
80.02759	0.4
83.01437	0.2
83.63733	0.2
85.03023	0.3
87.00954	0.2
88.98822	0.7
89.02445	0.6
91.01905	12.3
91.45438	0.1
92.02314	0.5
93.03468	1.1
95.00909	0.2
95.01377	0.8
97.03045	0.2
100.16969	0.1
101.02538	0.4
103.18586	0.1
107.01457	0.2
107.05034	0.6
108.02189	14.7
109.01906	0.2
109.03000	3.3
109.38539	0.1
110.03387	0.2
111.00946	0.2
113.02547	0.4
121.03041	0.6
123.00901	5.2
124.01719	1.6
125.02500	0.7
131.03549	0.1
135.00903	12.4
136.01341	0.4
136.11687	0.1
137.02464	5.7
143.04666	0.1
143.67796	0.1
149.02443	0.2
149.99638	0.1
151.00417	0.3
152.01173	15.3
153.01563	0.7
161.04611	0.2
163.04056	0.1
168.00720	0.5
169.01442	0.3
169.06659	0.3
177.02036	0.2
197.06097	1.5
199.07689	0.5
213.05542	1.0
215.07111	0.6
225.05605	0.4
227.16551	0.2
241.05101	0.3
242.05873	0.2
243.06613	100.0
244.06952	8.5
287.22134	0.3
319.78278	0.2
411.88156	0.1
429.10287	0.8
477.19193	0.1
477.30750	0.6
537.15619	8.6
537.29688	0.5
538.15936	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	537.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.14970	0.3
57.03448	1.4
58.00595	3.5
59.01380	51.6
59.87465	0.3
60.01716	0.6
60.99302	1.2
61.05038	0.4
61.98831	9.7
64.54242	0.3
67.01883	0.6
69.03458	31.3
69.83902	2.6
70.03814	0.3
71.01385	64.7
72.01708	1.0
72.99316	3.4
73.02953	6.7
75.00883	1.0
78.28281	0.4
79.01891	3.8
81.03466	4.6
83.01386	3.9
83.05042	0.4
85.02436	0.6
85.02957	11.7
86.00138	0.4
86.03245	0.5
87.00883	3.0
88.98814	7.4
89.02453	79.9
90.02795	1.5
93.03488	1.0
95.01385	7.8
97.02964	21.2
98.03321	0.4
99.00894	3.3
99.04563	0.4
101.02454	17.2
107.01402	15.9
108.02190	65.0
109.02994	22.2
109.03539	0.3
110.03370	0.7
111.00882	1.4
113.02463	10.7
119.03535	3.4
121.02958	3.1
123.00896	7.7
123.01733	0.6
123.04570	0.7
124.01694	1.5
125.02464	63.4
126.02811	2.6
127.04025	0.4
127.07716	0.5
131.03519	15.0
132.03857	0.5
133.02985	1.0
135.00905	43.6
135.04587	0.7
136.01257	1.6
137.02455	5.4
139.00386	0.4
139.04086	0.4
143.03516	4.4
149.02478	1.3
149.04567	13.7
149.99594	1.5
150.03212	0.4
151.00383	5.5
151.04033	1.2
152.01175	100.0
153.01956	83.3
153.05278	0.4
154.02309	3.9
159.03014	0.6
161.02411	0.5
161.04573	2.6
163.03966	1.1
164.04863	0.4
165.01892	0.8
165.12813	0.5
167.03487	1.6
168.00630	3.1
169.01427	2.7
169.06622	0.6
173.04529	0.9
177.01947	4.9
179.03557	0.5
180.04227	0.4
183.08223	2.1
183.13899	1.3
183.74443	0.5
191.05624	3.0
195.03006	6.9
195.06662	0.4
196.03319	0.5
197.06113	5.5
207.02972	0.9
208.03171	0.4
209.11919	0.5
211.02444	1.0
213.05634	1.0
215.07170	0.8
225.04060	2.8
227.12968	1.0
233.06642	2.9
237.04079	0.7
242.05826	1.8
243.06609	42.2
244.06967	2.8
271.04529	0.8
285.06073	1.9
293.08780	7.8
294.09024	0.6
297.06143	0.8
315.07275	0.4
326.06436	1.1
327.07211	8.5
328.07687	1.2
345.18945	0.4
357.08517	0.4
369.08322	4.2
375.27481	0.8
385.07928	0.7
386.08264	0.4
405.12216	0.6
407.18900	0.4
411.09167	0.9
429.10376	65.1
430.10715	9.3
477.30698	3.6
478.30725	0.5
537.16675	4.1
537.32660	5.2
538.19055	0.4
538.33234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
61.98833	100.0
75.06284	0.4
78.95914	0.8
79.95740	0.5
96.96023	2.5
98.20645	1.1
111.70439	0.4
126.30805	0.4
133.13805	0.4
140.63702	0.5
229.62024	0.5
245.04823	0.4
455.35324	7.6
536.31213	0.5
537.36011	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	536.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39068	0.2
55.49181	0.2
56.82937	0.2
59.01374	1.2
61.98832	100.0
63.91227	0.2
64.79389	0.2
65.66217	0.2
70.46361	0.2
71.74435	0.3
96.96024	0.4
102.97574	0.2
105.02045	0.2
108.08888	0.2
123.04913	0.2
152.71388	0.2
178.22787	0.2
458.06723	0.3
497.77252	0.2
537.32135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60478	0.2
54.90337	0.2
57.32394	0.2
61.98835	100.0
62.98546	0.2
63.99261	0.6
70.41569	0.7
72.05138	0.2
96.96073	0.3
129.35982	0.2
265.18112	0.4
279.26947	0.2
386.47134	0.2
429.37308	0.2
473.36298	9.1
474.36813	1.2
537.32385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
59.01384	21.3
61.98829	18.9
67.01899	4.2
69.03452	2.4
69.67096	2.5
69.67431	10.7
71.01385	19.3
72.99297	1.4
73.02946	2.4
73.82708	1.3
74.99113	1.8
77.97298	1.1
81.03457	1.9
83.01394	1.8
85.02955	10.1
87.00874	4.1
88.98804	4.1
89.02464	18.1
90.69322	1.1
93.03477	23.8
93.89209	1.2
94.03812	1.8
95.01379	1.2
95.11050	1.2
96.96021	9.7
96.96978	2.4
98.19803	1.4
99.00890	1.8
101.02436	8.1
108.02222	1.5
109.02962	5.1
111.00874	4.4
111.04523	5.5
112.73663	1.2
113.02451	5.2
115.00380	1.5
115.63271	1.2
116.92879	2.1
119.03497	2.1
121.02955	1.4
122.06117	2.3
123.00860	2.8
123.04527	1.7
125.02484	8.1
127.04047	2.7
131.03526	5.7
133.01466	1.9
133.02994	1.6
134.03787	4.1
135.04538	68.8
136.04881	4.3
137.02451	10.8
138.03201	3.4
139.00278	1.3
139.03929	1.3
141.09244	1.4
143.03532	2.6
147.04506	1.7
149.02422	1.5
149.04543	5.2
149.09732	1.5
151.00410	1.7
151.04033	1.5
153.01918	1.7
153.05557	2.8
155.03490	4.3
161.02403	4.3
161.04654	1.6
165.05467	1.2
167.10847	1.8
169.01425	4.6
170.02138	2.1
173.04570	100.0
173.39040	1.5
174.04904	4.7
175.03905	2.2
176.03613	1.5
177.01918	1.9
179.03511	71.6
180.03886	2.2
183.02968	6.7
190.02861	1.3
191.05626	48.7
192.05911	2.7
207.06525	3.1
229.01254	1.7
235.86023	1.3
243.16039	1.5
267.06528	1.4
269.12927	3.0
275.01895	2.5
279.06467	1.7
295.10843	3.0
297.08685	2.1
297.11874	1.5
300.99756	6.7
313.11725	3.4
327.12329	4.1
329.10773	1.3
331.11752	6.0
339.12256	3.6
345.13586	2.4
353.08716	64.1
354.09149	5.6
371.12518	3.1
375.10428	6.3
405.21384	4.0
415.11432	2.6
444.21634	1.4
447.14072	12.7
448.14182	1.8
477.15750	1.4
501.15573	1.5
537.16626	17.2
537.25385	6.7
538.16956	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	536.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.2
59.01376	4.5
60.01698	0.3
61.98830	100.0
65.05179	0.2
71.66261	0.2
71.84901	0.2
80.96519	0.3
96.96021	0.7
97.06587	0.2
98.20087	0.2
130.83723	0.2
135.65518	0.2
171.10295	0.3
331.57358	0.3
474.33017	0.3
500.31155	0.3
536.33112	1.8
537.32843	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	536.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84357	0.2
59.01382	7.5
60.01715	0.6
61.98833	100.0
73.02954	0.2
78.95931	0.3
88.98835	0.2
89.20963	0.2
96.96064	0.3
102.32109	0.2
105.19496	0.2
137.34943	0.2
327.71277	0.2
475.38449	0.4
476.32666	0.2
476.38577	2.1
536.32544	0.3
537.33026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3435
Annotation	Irregularasulfate
Peak:m/z	Relative Intensity
55.01870	1.5
57.03458	1.7
58.00597	4.8
59.01381	100.0
60.01715	1.5
60.99320	0.6
61.98833	44.4
62.07769	0.6
71.01389	56.0
72.01719	1.1
72.04548	3.9
72.99308	6.1
73.02972	1.4
76.11395	0.6
79.54582	0.6
83.01405	2.9
84.02187	1.2
85.02956	9.7
86.02505	0.8
87.00891	2.6
89.02456	76.8
90.02804	1.6
91.23943	0.7
95.01389	3.9
96.96040	2.4
98.18045	0.6
99.00909	1.1
100.04037	0.9
101.02456	38.4
102.02805	1.0
113.02466	22.6
116.51265	0.7
119.03519	35.6
119.74843	0.7
120.03853	0.8
120.06673	0.9
125.02474	0.7
131.03555	3.1
143.03531	5.7
143.18182	0.7
149.04591	3.8
161.04617	6.7
179.05630	16.6
179.07185	1.2
225.22246	18.9
226.22572	2.0
253.21696	2.8
255.23341	1.1
270.24319	0.7
271.22769	11.5
296.26025	1.1
308.26074	0.8
314.27292	1.0
326.27008	40.4
327.27368	4.8
356.28064	10.1
374.29065	10.6
375.29437	1.5
532.96466	0.8
536.34357	71.9
537.34906	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	535.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06627	0.3
55.01877	0.8
57.03444	1.4
59.01380	100.0
60.01722	0.9
61.98830	0.7
69.54996	2.0
69.55427	1.2
71.01384	8.8
72.99330	0.4
73.02955	4.3
73.14826	0.3
83.01377	1.8
85.02957	5.4
87.00915	0.7
89.02449	2.8
95.01407	0.8
97.06625	0.5
99.00905	1.6
99.04538	2.1
100.11838	0.3
101.01765	0.6
101.02457	9.2
102.02789	0.4
103.07682	0.3
109.02995	0.5
109.06577	0.4
113.02448	4.6
119.03532	0.4
121.06597	0.6
125.02449	0.5
129.01962	0.4
136.01738	0.4
143.03519	0.5
145.02972	0.5
151.04036	0.5
159.03017	0.9
160.05302	0.4
161.04578	3.9
165.12927	1.1
167.03545	0.4
183.13966	0.9
189.12909	1.1
207.13937	1.7
209.11819	5.5
210.12299	0.4
225.14951	6.3
227.12894	25.7
228.13264	1.1
251.12785	0.5
255.16185	0.4
265.12790	2.8
269.13861	1.3
287.14896	0.9
307.13931	1.9
358.09683	0.7
371.11307	1.4
372.11713	1.7
373.11993	3.8
373.26157	0.6
452.71350	0.4
473.20129	1.1
517.26624	7.3
518.26617	1.1
535.27600	97.8
536.28033	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	535.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03450	2.6
58.00598	0.5
59.01378	100.0
60.01709	1.0
61.98832	10.3
69.03456	0.4
71.01384	17.8
71.05058	0.3
71.16539	0.7
71.16893	0.5
72.01730	0.3
72.99327	0.5
73.02950	7.4
74.51862	0.4
75.00860	0.5
82.37340	0.3
83.01373	2.2
85.02956	9.2
87.00894	1.0
87.04513	0.7
88.98809	0.4
89.02449	6.8
93.03450	0.6
95.01376	1.2
96.95992	0.8
97.02961	0.7
97.06617	0.8
99.00884	2.2
99.04527	1.7
101.02453	13.5
101.06101	0.4
102.02791	0.4
109.02926	0.4
109.06556	0.5
111.00842	0.6
111.04559	0.4
111.08127	0.3
113.02458	6.9
115.20129	0.4
116.92851	0.6
119.03504	2.0
123.00890	0.6
123.04485	0.6
123.08131	0.5
125.02436	1.2
125.34024	0.3
129.01949	0.6
131.03467	0.5
137.02425	1.1
145.03011	0.6
145.05046	0.7
147.04515	0.8
151.03957	0.5
152.07129	0.4
157.05319	0.3
159.03006	1.1
159.86552	0.3
161.03426	0.4
161.04572	5.4
165.01842	1.5
165.12837	2.1
169.01422	0.7
179.03418	1.0
179.05594	0.5
180.04233	0.7
181.06589	0.4
181.12315	0.4
183.10289	0.6
183.13913	4.1
189.12759	1.1
195.06657	3.2
197.15421	0.5
205.03534	0.4
207.13870	2.1
209.11818	5.0
211.13255	0.6
225.14963	5.1
227.12891	23.5
228.13239	1.9
247.11653	1.0
251.12816	0.5
255.15822	1.3
265.12955	4.4
269.13596	1.0
276.99063	0.3
287.14813	0.5
307.13910	1.8
325.11050	0.9
329.15936	0.8
373.25967	1.7
389.17828	1.0
411.84839	0.3
431.18628	0.4
473.20316	1.6
475.12048	0.7
475.28442	1.0
504.17496	0.4
517.26611	5.1
518.26019	0.9
535.26984	72.6
535.43182	1.5
536.27283	12.8
562.29523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
56.14119	0.5
57.03453	2.3
58.00590	1.5
59.01381	100.0
59.41553	0.6
59.48196	2.0
60.01717	1.4
61.98838	7.5
69.03460	1.4
69.40015	6.7
71.01388	28.9
72.01704	0.7
72.99314	1.9
73.02956	8.2
75.00885	0.8
83.01376	2.5
85.02488	1.1
85.02960	11.2
87.00880	2.6
87.04538	0.8
89.02451	18.5
93.03459	1.0
95.01371	2.3
97.02924	1.8
97.06586	1.0
98.20605	1.5
99.00861	2.1
99.04500	1.0
99.47079	0.5
101.02458	22.7
101.06059	0.5
107.77075	0.5
108.02188	0.9
108.73513	0.6
109.02936	1.7
111.00861	1.0
111.08107	1.1
113.02469	13.0
115.69662	0.6
119.03513	6.5
121.02975	0.7
123.00833	0.8
123.04491	1.7
124.01647	1.1
125.02444	5.3
127.95280	0.6
131.03430	0.9
135.04492	0.7
137.02368	1.4
143.03439	2.5
145.02898	1.5
145.04982	2.0
149.02386	1.0
149.99521	0.9
151.00374	1.1
151.03979	0.8
152.01091	1.0
159.02975	1.3
161.04576	5.4
163.04008	0.7
163.06168	6.1
165.12857	10.6
166.02649	0.5
166.13084	0.7
167.03552	3.3
167.14311	1.7
168.00519	2.6
169.01317	1.4
179.05730	2.9
179.06960	0.8
179.14417	0.7
181.05006	1.0
181.12253	0.7
183.13914	41.6
184.12607	0.6
184.14224	3.1
194.02058	0.6
195.13762	1.1
197.15491	22.2
198.15741	1.3
207.13934	2.9
209.04584	5.5
209.11815	4.7
211.02365	0.6
221.11554	1.4
225.14977	8.2
227.12895	25.5
228.13101	1.3
239.05406	1.2
241.14441	1.2
251.12585	1.3
265.12915	2.8
269.06625	2.8
269.13596	2.1
271.04251	0.7
307.10205	0.7
307.13541	0.8
320.81467	0.5
325.11252	4.5
341.09824	2.2
356.12433	0.7
358.57611	0.7
371.15121	3.4
373.12167	2.3
373.25253	2.3
389.17960	0.7
482.31396	0.7
517.25098	2.1
535.22992	90.0
535.39728	2.3
536.23175	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	535.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03442	1.4
58.00576	0.9
59.01382	43.8
61.98834	12.1
64.70897	0.4
69.03441	1.9
69.46334	4.3
71.01390	21.0
71.04994	0.7
72.99284	1.5
73.02592	0.5
73.02953	6.0
75.00887	0.8
75.60707	0.5
81.03442	0.9
83.01392	2.6
83.05043	0.9
85.02958	8.6
87.00892	3.2
87.04530	0.5
88.98808	0.9
89.02457	13.3
91.42401	0.4
93.03456	1.0
95.01377	1.0
96.15735	0.5
97.02940	1.6
97.06571	0.9
99.00898	2.3
99.04520	1.1
101.02456	13.9
101.71500	0.5
102.02863	0.5
108.02113	0.5
109.02981	2.9
111.00842	0.6
111.08152	1.3
113.02473	7.9
119.03541	4.6
121.06501	0.5
123.00855	0.7
123.04449	0.8
125.01768	0.4
125.02456	4.3
127.03967	1.8
131.03487	1.2
135.04552	0.9
136.01666	1.5
137.02426	1.6
139.11269	1.4
140.38762	0.4
143.03506	4.9
145.02924	1.1
145.05069	3.2
147.06544	0.6
149.06050	0.4
151.03984	1.4
152.01147	0.6
159.02974	0.6
160.01631	0.5
161.04572	3.7
163.06143	19.3
163.07529	0.9
164.97273	0.6
165.11546	0.6
165.12868	9.0
166.13234	0.9
167.03520	1.0
167.14426	0.8
169.01436	2.5
173.04576	0.5
179.03511	0.4
179.05573	1.1
181.12317	1.2
183.10320	1.6
183.13925	54.1
184.14258	3.3
191.05513	0.6
195.13852	0.9
197.13843	0.7
197.15486	9.1
198.15814	0.5
199.13377	0.7
201.39540	0.5
207.13840	1.4
209.04506	1.0
209.11858	2.7
221.11784	0.8
225.11272	1.3
225.14961	2.7
227.12880	12.1
228.13210	1.0
239.12848	0.6
241.14363	0.7
243.12338	2.0
251.12817	0.8
269.13943	0.8
271.04599	1.0
285.13513	0.8
307.10376	0.8
313.07120	0.7
325.11322	5.0
326.07883	0.8
326.11539	0.7
341.10315	5.3
355.24594	0.6
356.12427	1.5
357.12775	0.5
371.15005	7.8
372.15079	1.1
373.12906	2.8
373.25833	1.0
423.68213	0.7
473.19971	0.8
475.21506	0.7
475.29019	0.5
505.19263	0.5
517.25116	0.7
518.25830	0.5
535.23676	100.0
536.23975	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	535.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
57.03447	4.0
58.00591	1.3
59.01380	100.0
60.01725	0.5
61.10492	0.6
61.98833	9.3
67.21162	0.5
69.03460	1.1
69.56786	4.8
71.01385	25.8
72.99304	0.7
73.02951	15.7
74.99093	0.9
75.00875	0.7
83.01392	6.1
83.05025	0.7
85.02956	14.2
87.00885	2.5
89.02450	14.1
95.01387	2.4
95.05009	0.9
95.10595	0.6
97.02956	1.3
99.00891	1.9
99.04521	2.5
101.02451	22.1
103.04022	4.6
107.05037	0.7
108.02185	2.8
109.02953	2.7
109.06566	2.0
111.00855	1.0
113.02463	10.5
119.03506	5.3
121.02933	1.0
121.05087	4.9
121.06553	1.2
123.00892	2.1
125.02454	2.4
129.01915	0.8
129.05518	0.7
131.03474	1.7
133.05086	0.7
135.04501	0.7
136.01736	1.0
137.02400	0.9
141.01927	0.6
143.03505	1.4
145.04980	0.6
149.02415	0.6
149.04533	1.0
151.00366	1.4
151.03976	1.8
152.01152	1.8
152.04324	0.6
153.01913	1.8
159.02971	1.0
161.04584	4.8
163.03957	0.9
163.06053	0.9
163.11235	0.9
165.07599	0.6
165.12839	6.8
169.01463	2.8
179.05577	1.1
181.05110	0.7
181.12381	3.7
183.10188	1.0
184.63902	0.6
187.04057	0.6
187.06116	1.1
189.12733	1.1
193.05046	0.9
195.13846	0.6
207.13884	11.8
208.14162	0.8
209.11821	11.7
210.12093	1.1
225.11186	1.3
225.14931	6.8
227.12895	22.3
228.13100	1.0
243.12161	0.7
251.12921	3.4
255.15829	2.5
265.09253	8.2
265.12396	0.9
269.13916	7.1
271.04492	0.7
283.10416	6.5
284.10281	0.7
287.15009	15.1
288.15179	1.1
307.10330	2.9
315.07056	1.0
325.11044	2.1
343.17294	1.9
371.11203	1.3
372.11389	1.1
373.12106	2.8
373.25793	1.2
389.17667	1.9
449.19583	2.2
472.18777	0.8
473.20239	15.5
475.21140	2.6
517.21667	5.2
535.23322	96.4
536.23694	12.5
551.26263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
67.89697	0.5
70.80173	0.9
70.80505	1.1
72.17432	0.6
84.72386	0.6
91.73560	0.6
96.95988	2.7
169.04752	0.6
172.27080	0.6
191.57784	0.7
207.17622	0.6
263.16544	0.9
375.03018	0.6
471.34787	27.8
472.35178	6.0
524.57660	0.7
534.36285	0.6
535.37482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
56.16445	0.6
57.03435	2.7
58.00599	0.9
59.01379	51.1
59.76817	0.6
60.01722	0.9
61.01788	0.6
61.98831	7.7
63.96239	0.8
69.03450	1.1
71.01385	18.1
71.05016	0.8
71.23454	0.6
72.99308	0.8
73.02947	9.1
74.77372	0.6
75.00883	0.7
83.01379	2.8
83.05047	1.5
85.02957	6.0
87.00863	2.2
87.04520	0.6
89.02445	12.6
93.03471	0.7
95.01390	1.6
97.06573	0.7
99.00890	1.0
99.04525	2.1
101.01865	1.0
101.02457	12.2
103.04031	1.1
107.05012	1.5
109.02948	0.8
109.06605	5.9
113.02459	6.1
117.97305	2.5
119.03494	4.0
121.05081	5.2
121.06539	4.5
123.00884	1.3
123.04513	0.9
123.80025	0.6
125.02432	1.5
128.13254	0.6
131.03551	1.0
133.05020	0.7
137.02432	1.0
139.11319	5.3
143.03534	0.7
147.06665	3.7
149.04594	1.0
151.00397	1.1
151.03992	0.6
159.03006	0.9
161.04564	3.8
165.12848	2.1
167.03470	1.9
169.01434	1.6
179.05598	1.9
180.51262	0.6
181.12349	2.2
183.10269	6.3
189.12817	3.9
191.10757	1.2
207.13902	18.5
208.14250	1.3
209.04639	0.6
209.11829	5.1
225.11244	1.3
225.15121	0.9
227.12846	2.8
233.11603	0.6
243.12332	1.8
251.12932	4.4
255.15956	7.7
269.13962	0.9
281.18158	0.8
283.10281	7.4
287.14877	0.7
297.11963	0.7
298.03586	1.0
309.11920	1.5
311.29068	0.7
373.12823	1.2
373.26181	0.9
391.23291	0.9
394.45847	0.6
472.19028	2.0
473.20251	7.6
475.21725	1.0
490.10202	0.7
517.22833	1.3
535.23840	100.0
536.24194	16.1
536.31689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70213	0.4
59.01381	100.0
60.01713	1.5
61.98833	15.5
66.15683	0.3
71.57616	0.3
71.72495	0.4
78.95924	0.5
81.65230	0.3
86.77557	0.3
91.61320	0.3
121.09474	0.3
125.02464	0.5
140.98276	0.4
255.23067	0.6
291.23132	1.1
335.22397	2.1
409.86618	0.3
452.27460	1.0
453.29486	0.4
461.28729	0.4
471.30267	1.7
485.22083	0.5
485.28961	5.4
486.28937	1.3
487.33844	1.2
533.30811	15.5
534.31213	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	533.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78159	0.3
54.85108	0.4
59.01380	100.0
59.46812	0.3
60.01710	1.4
61.98832	23.8
69.44586	3.8
70.62090	0.3
74.36407	0.3
78.95921	1.2
96.96073	0.6
99.40388	0.4
152.99660	1.5
171.19492	0.5
196.89583	1.3
216.95374	0.4
473.37094	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	533.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01718	0.8
60.09675	0.4
61.91988	0.4
61.98828	51.2
71.66273	0.7
78.95905	0.9
87.04537	0.8
96.96003	0.6
131.00421	0.5
131.03473	0.6
196.89523	1.3
290.44540	0.4
357.30212	3.0
413.30551	0.8
429.33643	2.2
473.31964	19.8
474.32248	4.7
485.29276	1.4
487.34445	1.2
530.15906	0.6
533.35370	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	534.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
61.98832	100.0
69.74457	1.0
69.74877	1.6
70.12988	0.3
71.43063	0.4
96.96013	0.8
260.20642	0.3
290.34875	0.4
474.36050	0.5
534.34003	0.9
535.30237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.0
60.01728	0.2
61.98832	100.0
63.12920	0.1
69.39879	1.7
74.81242	0.1
85.45547	0.1
106.55921	0.2
166.30270	0.2
329.67188	0.2
474.36505	0.5
489.37958	0.2
534.22247	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01715	1.3
60.21043	0.3
61.98832	19.3
63.01424	0.3
69.56176	3.2
74.14204	0.4
78.95906	0.7
85.06604	2.0
87.04543	0.7
96.96031	0.4
110.98542	0.6
129.03474	0.4
137.09735	0.7
166.13319	0.4
185.02283	0.7
197.11911	1.5
199.13466	0.9
218.77718	0.4
279.19724	1.3
287.20233	0.6
289.21655	4.0
320.38531	0.4
331.07626	0.4
333.20932	1.4
335.22272	42.8
336.22610	4.8
347.25845	0.6
365.27011	9.0
366.27448	1.4
473.36621	1.1
533.35187	16.3
534.35669	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	533.3116
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
57.03419	0.5
59.01378	10.2
60.99296	0.7
61.98829	19.7
71.01375	1.2
71.05001	0.6
71.25628	0.7
71.25964	0.5
72.99305	0.5
75.00844	0.4
85.02950	0.6
85.06600	0.6
87.00912	0.3
88.98807	0.7
89.02450	0.8
95.05024	0.4
101.02442	0.5
107.83854	0.4
109.06629	0.5
117.49184	0.4
119.08713	0.6
163.23767	0.4
177.38361	0.4
189.12767	0.6
267.15973	0.5
292.78687	0.4
357.25787	1.2
375.26819	0.9
389.28629	0.7
391.30121	1.0
405.28201	0.6
407.29495	1.1
409.31125	1.1
410.30795	0.4
421.36255	0.4
423.28906	0.9
425.30551	0.5
427.32159	1.3
453.29861	0.8
471.31055	1.0
473.32849	2.9
474.31961	0.4
489.32312	1.0
533.31116	100.0
534.31470	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	533.3123
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
50.47327	0.3
56.87749	0.3
57.03443	1.1
59.01383	9.7
60.99316	0.6
61.98833	18.8
63.96215	0.3
63.99274	0.3
71.01386	7.2
71.05019	1.0
71.71665	0.4
72.01743	0.4
72.99294	0.6
73.02953	2.7
73.45924	0.3
75.00880	1.2
81.03416	0.3
83.01398	1.1
85.02959	2.8
87.00890	0.7
88.98813	0.6
89.02455	3.7
93.03519	0.4
95.01398	0.3
96.96043	0.3
97.02945	0.6
99.00904	0.8
101.02462	4.7
109.02956	0.5
109.06598	0.4
111.00932	0.4
113.02461	2.8
116.92973	0.4
117.97331	2.4
119.03520	0.8
120.99620	0.4
121.02970	0.4
122.43362	0.3
123.04541	0.6
125.02484	2.0
131.03522	1.8
136.01700	1.0
137.02563	0.4
139.11328	0.4
143.03497	0.5
145.02977	1.2
147.13399	0.3
149.04558	0.4
151.04039	1.2
152.01189	0.5
153.01997	0.4
153.05629	1.2
159.03011	0.5
161.04607	2.2
163.04062	0.4
163.06366	0.3
168.00754	0.3
169.01447	1.4
183.13922	0.3
225.15025	0.8
227.12917	0.3
298.03726	0.8
327.25488	0.4
341.19852	0.6
353.23212	0.4
357.06409	1.0
371.18039	0.4
377.28674	0.9
387.14856	0.5
395.29868	0.5
401.25571	3.1
402.25797	0.5
423.29047	4.8
424.29401	0.9
439.28769	0.9
441.30017	5.1
442.30402	0.7
451.71509	0.4
452.20447	0.9
453.29807	2.8
455.28247	0.8
457.29135	0.4
463.29434	0.4
467.28360	0.7
469.29672	0.5
470.25775	0.4
471.31146	11.4
472.31522	2.0
485.29062	19.9
486.29504	3.5
489.32822	0.5
490.32071	0.3
503.30255	0.4
515.30939	0.5
533.31256	100.0
534.31580	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	533.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82223	0.8
57.03427	1.4
59.01379	16.0
61.98520	1.3
61.98830	26.0
63.62984	0.7
66.91924	0.7
70.81791	1.0
70.82137	2.4
71.01383	9.0
71.05016	1.2
72.99320	1.0
73.02943	1.8
75.00884	1.3
77.28374	0.8
78.95927	0.9
83.01349	1.2
83.05006	0.9
85.02955	3.5
86.16180	0.7
87.00884	0.9
89.02438	5.9
96.96008	1.1
97.06587	0.9
99.00883	1.0
101.02441	5.5
103.14252	0.7
111.00871	1.2
113.02431	3.9
116.06760	0.8
119.03585	1.9
123.04610	0.9
125.02440	1.1
128.61151	0.9
131.03485	1.0
137.32042	0.8
141.11653	0.9
143.03534	1.0
161.04556	2.8
171.10231	2.4
371.28101	1.9
401.24982	2.4
423.28870	1.2
441.29785	3.3
453.30069	7.8
454.30457	1.4
471.31152	15.2
472.31375	2.5
485.29068	100.0
486.29419	17.3
515.32031	1.6
533.31189	54.9
534.31628	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	533.3123
Annotation	Sanjoinine Ah1
Peak:m/z	Relative Intensity
52.10132	0.2
55.01871	0.6
57.03436	1.0
58.00594	0.5
59.01379	11.4
60.99314	1.5
60.99578	0.3
61.98555	0.3
61.98829	3.3
69.03458	0.5
71.01385	10.3
71.05022	3.8
71.71369	0.3
72.99301	0.9
73.02955	2.2
75.00871	0.4
83.01388	1.7
83.05007	0.3
85.02506	0.3
85.02964	3.9
85.06593	0.2
87.00874	1.0
89.02451	6.1
95.01385	0.9
97.02959	0.5
99.00889	1.1
101.02456	7.2
101.06086	0.3
102.02782	0.3
104.02699	1.7
111.00883	0.3
113.02464	3.9
119.03523	2.6
119.08665	0.4
121.02977	0.5
124.01662	0.5
125.02485	1.3
131.03493	0.7
132.80283	0.3
132.96758	0.2
137.02444	0.2
139.11281	0.5
141.09210	1.0
143.03371	0.4
148.01688	1.9
149.04564	0.5
149.74129	0.2
149.99518	0.4
159.02982	0.4
161.04568	1.8
168.00635	0.8
176.01164	10.5
177.01526	0.9
179.05659	0.6
183.13828	0.3
197.92749	0.2
206.78607	0.2
209.11719	0.2
227.13011	0.3
241.16005	0.3
267.10959	0.3
271.20523	0.3
305.22708	0.6
323.23572	0.3
327.25378	0.4
327.29031	0.3
341.19632	0.5
342.11020	0.5
357.13516	0.3
357.25830	0.3
359.23651	0.4
371.27972	2.9
372.28244	0.5
375.26785	0.3
379.25955	0.3
391.29944	0.4
401.25302	1.0
423.28668	0.4
425.30630	0.3
441.30347	1.6
471.30719	3.0
489.32056	0.4
503.29916	0.4
515.32025	1.1
533.14886	2.0
533.31543	100.0
534.14355	0.6
534.31793	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	533.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82983	0.2
59.01181	0.4
59.01454	1.0
61.98911	1.1
63.44394	0.2
65.09912	0.2
71.01472	1.2
71.05094	0.4
72.43935	0.2
72.58119	0.2
73.03011	0.3
85.03050	0.7
89.02536	0.3
95.13619	0.2
98.19791	0.3
101.02572	0.8
105.07092	0.2
113.02528	0.3
159.03111	0.2
161.04680	0.6
171.11902	0.3
229.75098	0.3
359.24042	0.3
371.28073	1.8
377.28629	0.3
379.30203	0.2
389.28738	0.3
407.29779	0.4
409.31308	0.4
423.29117	1.0
424.29437	0.4
439.28244	0.4
441.30063	3.8
442.30438	0.5
453.30093	8.9
454.30524	1.4
467.27936	1.8
469.29501	0.2
471.31149	12.7
472.31769	1.7
485.29074	100.0
486.29422	16.5
533.31165	32.1
534.31519	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.312
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
57.03433	0.5
59.01380	3.5
60.99305	5.2
61.98832	3.6
69.86965	1.1
71.01385	3.0
71.05024	11.2
72.05373	0.2
72.99294	0.2
73.02948	0.6
75.00877	0.4
83.01384	0.4
83.05045	0.4
85.02960	1.2
85.06595	0.5
89.02465	1.7
93.03461	0.6
96.96000	0.3
97.02908	0.2
99.00900	0.2
101.02443	1.8
103.51920	0.2
109.06573	0.2
111.00897	0.2
113.01733	0.2
113.02441	0.9
119.03526	0.5
119.08669	0.8
121.02958	0.3
124.01709	0.3
125.02428	0.8
131.03568	0.4
137.09743	0.2
149.04507	0.2
149.99602	0.2
161.04568	0.4
163.07684	0.3
168.00629	0.4
169.01410	0.7
179.05478	0.2
183.13762	0.2
221.15500	0.3
223.13406	0.2
250.92252	0.2
259.17038	0.2
289.19485	0.5
305.22855	0.9
309.22070	0.2
312.45221	0.2
323.23801	0.5
335.22345	0.3
371.23984	0.2
371.28049	0.6
377.24710	0.4
379.26117	0.2
391.30328	0.3
393.28186	1.2
395.29578	0.4
399.25613	0.2
401.25439	1.1
402.25623	0.3
409.31192	0.6
423.29028	0.6
453.30148	2.3
454.30383	0.4
457.29666	0.3
471.31473	1.9
472.31470	0.3
489.32007	0.6
496.57562	0.2
515.31635	0.4
533.31165	100.0
534.31500	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	533.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13550	0.3
54.97840	0.2
55.86011	0.2
57.47901	0.2
60.02521	0.2
60.99332	0.4
71.05057	0.6
75.47523	0.2
98.20615	0.6
106.98217	0.3
111.65034	0.2
131.83487	0.3
137.09776	0.3
269.93506	0.3
375.26743	0.3
377.28699	0.8
389.28415	0.4
393.28015	0.9
395.29694	0.4
407.29678	1.6
423.29095	1.1
439.28540	0.3
441.30017	2.0
453.30194	2.5
454.30469	0.4
455.28110	1.3
467.27969	1.1
469.29550	0.9
471.31149	11.0
472.31552	1.6
485.29095	43.8
486.29364	6.4
533.31158	100.0
534.31500	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	533.3115
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
57.03429	0.3
59.01369	1.4
60.99297	1.3
61.98843	0.9
69.72713	1.3
71.01387	1.1
71.05023	6.9
73.02943	0.4
83.05010	0.3
85.02975	0.3
85.06591	0.4
86.00511	0.2
87.16071	0.2
89.02464	0.6
98.19909	0.4
99.00867	0.2
101.02463	0.8
113.02473	0.4
119.08678	0.5
131.03499	0.2
155.22955	0.2
202.48326	0.2
218.85602	0.2
289.19733	0.3
305.22598	0.2
323.23840	0.3
355.67294	0.2
365.38950	0.2
375.26950	0.3
377.28452	0.9
379.26111	0.3
379.30136	0.3
380.29810	0.2
395.29626	0.8
396.29547	0.2
401.25308	0.9
409.31262	0.5
423.29068	4.2
424.29443	0.7
439.28394	0.3
441.30048	2.3
442.30249	0.4
453.30072	0.7
471.31241	1.1
472.32138	0.2
485.28662	0.2
489.28937	0.7
490.29651	0.2
503.30493	0.5
515.30591	0.2
533.31165	100.0
534.31506	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	533.2598
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
55.01876	0.9
57.03460	2.5
58.00605	0.8
59.01380	100.0
60.01721	0.6
61.98835	7.6
69.03429	0.6
69.48468	4.2
71.01383	14.1
71.05005	1.0
72.99323	0.7
73.02567	0.7
73.02947	6.7
75.00877	0.6
83.01402	1.8
83.05051	0.8
85.02956	4.9
87.00881	1.1
88.98831	0.8
89.02459	9.7
89.70079	0.4
95.01400	1.5
97.02956	0.6
97.06615	0.6
98.19840	1.0
99.00895	2.1
99.04528	2.4
101.02456	11.5
101.03072	0.8
109.06600	1.7
113.02467	6.9
119.03515	3.2
121.06620	1.0
125.02453	1.0
133.06516	0.5
143.03490	0.6
159.02969	1.0
161.04568	4.1
163.11378	0.5
165.12813	1.7
179.05582	0.6
180.94553	0.4
189.12852	1.4
191.10751	0.8
207.06639	0.7
207.13933	4.0
208.14169	0.6
209.11835	5.8
210.12222	0.4
225.14957	6.5
227.12892	22.4
228.13190	1.1
245.10225	0.6
251.12912	1.0
263.11328	3.7
269.13864	1.4
281.12305	0.8
287.14941	1.4
305.12354	2.3
371.11594	0.6
371.24490	0.5
471.18878	0.5
471.31146	1.3
485.28864	1.9
515.24976	7.3
516.24933	0.9
533.25769	94.0
534.26172	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	533.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01364	1.5
66.91254	0.2
67.01880	0.6
71.01379	1.4
73.02946	0.5
74.77467	0.2
77.55996	0.2
83.01398	0.3
85.02954	8.1
87.00889	4.8
87.01414	0.3
89.02444	0.3
93.03461	2.8
96.27631	0.2
99.00883	0.2
99.04463	0.2
101.02457	0.6
109.02968	0.8
110.66786	0.2
111.00888	0.3
111.04539	1.2
127.04025	2.0
129.01947	2.5
137.02420	0.2
147.03058	1.3
155.03503	0.2
171.03001	0.4
173.04578	0.8
185.53864	0.2
191.01987	3.6
191.05635	100.0
192.05991	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2597
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
53.26945	0.5
55.01886	0.5
57.00343	0.4
57.03439	2.3
58.00596	0.6
59.01382	93.9
60.01719	1.1
60.99317	0.7
61.98837	5.5
69.59976	3.6
71.01385	12.2
71.05021	3.0
72.99330	0.8
73.02956	5.5
80.72348	0.4
81.03478	0.5
83.01406	1.6
83.05079	0.7
85.02966	6.2
87.00907	1.2
88.77328	0.4
89.02462	4.2
90.97237	0.5
94.23752	0.4
95.01403	1.3
97.03033	0.5
99.00888	1.3
99.04552	2.0
101.02460	10.2
101.06136	0.4
102.02817	0.4
105.39692	0.4
107.05044	0.5
109.06607	1.1
111.00925	0.4
113.02459	5.6
118.18929	0.4
119.03521	1.4
119.05045	1.0
121.06597	0.7
125.02494	1.5
127.90692	0.4
129.01952	0.6
143.03551	0.8
145.02971	1.8
153.01991	0.5
158.16566	0.4
159.03073	0.9
161.04567	4.9
163.04019	1.0
165.12845	0.8
169.01462	1.2
181.12350	0.4
189.12866	1.3
204.43237	0.4
207.13895	3.2
209.11829	5.7
210.12218	0.6
225.14954	6.2
226.15213	0.5
227.12900	24.7
228.13194	1.6
235.06088	1.0
239.14288	0.5
245.10306	1.0
257.15439	0.6
263.11389	4.7
265.07147	1.1
269.13943	1.5
275.16507	2.0
287.14993	1.3
291.17258	0.4
305.12442	1.9
307.20798	0.9
371.24347	0.8
471.18942	0.8
471.31516	0.5
489.28513	9.4
490.28891	1.4
515.24847	7.1
516.25305	1.0
533.26019	100.0
534.26367	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	533.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03218	0.5
57.03452	6.5
59.01372	5.5
59.22106	0.4
67.01887	1.4
69.52806	3.1
71.01389	5.1
71.41322	0.4
72.99304	0.7
73.02943	0.9
75.00870	1.1
77.92915	0.4
78.51237	0.4
83.01374	1.3
83.05007	0.5
85.02957	10.8
87.00882	21.0
87.78452	0.4
89.02457	2.5
93.03477	2.1
94.53022	0.4
95.55011	0.4
99.00871	2.0
101.02444	3.1
107.10655	0.4
109.02945	0.7
110.75767	0.4
111.00919	3.1
111.04521	1.0
113.02464	0.4
117.01937	0.6
119.03482	1.0
125.02448	0.5
127.04005	1.4
129.01953	14.0
130.02303	0.7
133.01440	0.6
144.50769	0.3
147.03014	6.9
155.03496	0.4
161.02371	0.5
171.03041	0.8
173.04520	1.0
179.05672	0.7
191.02016	16.1
191.05621	100.0
192.02252	0.6
192.05998	4.4
197.59235	0.4
229.01283	0.4
249.04048	1.8
250.04323	0.7
275.01978	0.9
299.69055	0.4
300.99847	1.6
302.00290	0.5
306.54819	0.4
341.10864	1.1
389.77689	0.4
395.47693	0.4
522.67944	0.5
533.15448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1661
Annotation	3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside
Peak:m/z	Relative Intensity
57.03444	0.3
59.01377	3.6
61.09190	0.2
61.98828	0.7
69.38788	0.5
69.39191	1.9
71.01375	1.4
73.02942	0.4
81.09592	0.2
83.01392	0.3
85.02949	0.6
95.01418	0.3
98.20670	0.3
99.56496	0.2
101.02433	1.1
108.02187	0.8
109.02972	3.8
111.00872	0.3
113.02433	0.6
121.02969	4.5
122.03741	0.5
123.00890	0.9
123.04578	0.3
124.01676	0.5
125.02335	0.2
131.77309	0.2
134.03731	0.4
135.04514	0.4
136.01678	7.5
137.02489	3.6
143.04994	0.3
145.02971	3.7
145.38025	0.2
146.03491	0.2
147.04518	1.0
149.02448	2.1
150.03226	0.4
151.04018	9.6
152.04388	0.4
158.03792	0.6
159.04535	3.4
160.05310	7.5
161.02437	0.3
161.04678	0.3
161.06087	6.4
162.06424	0.5
173.06154	0.3
174.03204	0.5
175.04019	5.6
175.07532	0.2
176.04333	0.4
179.03502	0.4
187.04022	0.8
188.04808	0.3
189.05609	2.1
192.02100	0.2
193.01469	1.6
194.02074	0.2
207.02956	0.3
208.03932	1.0
227.12772	0.6
239.07179	0.6
239.55202	0.2
249.05612	0.4
250.06256	0.3
253.08655	0.7
254.09129	0.3
264.90765	0.3
265.09232	0.7
266.05740	0.4
267.06595	4.7
268.07135	1.0
281.08167	0.8
282.05801	0.4
282.08948	1.8
283.10037	1.5
297.07733	5.8
297.11298	1.0
298.08051	0.4
311.09280	1.4
312.10028	11.6
313.10361	0.9
325.11298	0.3
327.12369	1.1
341.10294	0.5
355.08017	0.5
356.09000	16.4
357.09436	1.7
371.11343	100.0
372.11682	12.5
372.16565	0.3
389.12311	0.6
533.16406	1.9
533.25128	1.1
534.16687	0.5
534.26422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1298
Annotation	LLP3
Peak:m/z	Relative Intensity
55.01869	1.6
57.03453	2.8
58.00581	1.6
59.01380	27.2
60.99292	0.8
61.98830	16.8
69.03463	2.8
71.01385	33.6
71.05021	3.0
72.99326	2.4
73.02952	8.3
75.00887	0.5
81.03463	1.3
83.01388	4.9
83.05064	0.6
85.02437	0.6
85.02959	13.2
87.00885	2.2
87.04517	1.2
89.02454	15.9
93.03451	0.5
95.01409	3.2
95.05044	0.5
95.83242	0.4
96.95990	0.6
97.02959	3.5
99.00878	2.4
99.04549	0.5
101.02456	25.1
101.06091	0.3
102.02798	0.6
105.91914	0.4
108.02176	0.7
109.02992	0.9
109.06578	0.6
111.00912	1.0
113.02460	12.9
115.04047	0.5
119.03521	5.9
119.04964	0.8
121.02976	8.5
123.00898	6.7
123.04528	0.5
124.01684	14.1
125.02464	34.8
126.02812	0.7
127.71236	0.4
129.01936	0.6
131.03526	1.6
135.04558	0.7
137.02460	2.8
139.11261	0.6
141.09209	0.7
143.03497	2.0
145.02997	0.5
149.04558	0.9
149.99600	25.8
151.00348	1.9
151.04053	0.5
153.02042	0.4
157.12360	0.5
159.03075	1.8
159.04256	0.4
161.04570	11.1
161.05853	0.8
163.04034	0.8
165.01878	0.4
165.12860	0.8
167.03616	0.6
168.00656	41.9
169.01428	4.6
171.13957	0.5
179.04149	0.4
179.05602	2.5
179.06950	0.4
183.13916	1.3
185.83658	0.4
187.13354	0.4
205.05112	0.5
223.13411	0.9
227.12923	1.0
228.04390	0.4
229.05026	1.1
229.71873	0.4
253.18039	0.9
258.43704	0.4
267.10855	1.1
313.05603	2.1
325.27426	0.4
341.19766	0.7
353.27020	1.2
371.28027	16.9
372.28180	1.9
401.25314	3.0
411.09323	0.7
412.48453	0.4
423.29239	0.6
435.28973	0.5
441.30048	7.0
442.30618	0.9
453.30112	1.1
471.31412	1.9
473.23807	0.7
503.30069	1.8
508.60794	0.4
515.11957	0.8
515.32135	1.5
533.13049	66.5
533.31909	100.0
534.13287	11.3
534.32025	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	532.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
61.98832	100.0
62.98538	0.2
67.68771	0.1
69.44647	1.7
71.01383	1.3
72.99314	0.1
73.02959	0.2
75.00889	0.3
85.02976	0.4
87.00900	0.3
88.49711	0.1
88.98838	0.4
89.02462	1.2
93.03490	0.1
96.96036	0.5
99.00896	0.3
101.02454	0.7
102.46542	0.1
102.98610	0.2
107.01385	0.1
107.05056	0.6
109.02958	0.2
111.00953	0.3
113.02470	0.4
113.06125	0.2
119.03520	0.4
121.03001	0.7
123.00851	0.4
125.02496	0.8
126.02754	0.2
131.03560	0.2
135.04549	0.4
147.04567	0.2
149.02496	0.2
149.04565	0.3
151.00394	0.2
164.04854	0.3
169.01485	0.7
172.72705	0.2
173.98668	0.1
179.03520	4.8
189.01929	0.2
190.02722	0.4
191.03436	0.2
191.05685	0.2
199.09862	0.3
205.05046	0.4
206.05452	0.2
211.02596	0.2
231.02988	0.2
234.08447	0.2
236.06985	0.2
248.02969	0.2
249.04060	0.3
251.09532	0.2
271.04568	0.3
275.01941	0.4
299.30261	0.2
300.99911	0.3
345.18420	0.2
352.75931	0.2
370.11963	0.2
450.58737	0.2
532.17120	2.4
533.19086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3688
Annotation	Rubianol d
Peak:m/z	Relative Intensity
59.01379	100.0
60.01712	1.1
61.98831	8.7
65.71468	0.2
70.13330	1.1
88.98803	0.6
96.96017	0.3
171.81667	0.2
175.77487	0.3
295.37823	0.3
421.29816	0.2
471.34854	0.9
491.35938	0.2
492.38031	0.2
531.37134	0.5
555.75604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30761	0.8
53.63816	0.8
55.81930	0.8
58.19436	0.6
59.01383	9.4
61.98834	68.6
70.67061	2.3
71.01386	24.3
71.05016	3.1
72.23043	0.7
72.99319	0.7
73.02950	1.2
83.01385	0.8
83.52388	0.7
85.02945	1.4
88.04053	3.6
88.98840	1.0
89.02459	4.6
93.99010	0.6
95.01407	1.2
99.04512	1.2
101.02453	6.3
107.01414	1.5
111.00876	1.0
113.02442	3.2
119.03515	2.3
119.59541	0.8
123.00954	4.5
125.02479	10.1
128.07207	1.4
135.04561	0.9
139.00406	1.2
146.08260	48.6
147.08580	1.3
151.00386	2.5
161.04642	1.3
168.00603	1.5
169.00171	0.9
169.01466	10.0
173.04573	0.9
174.11351	1.0
200.09306	1.2
211.02480	1.4
218.10320	1.7
245.00883	0.8
263.11310	1.7
271.04431	1.4
275.01968	0.8
300.99796	1.0
308.13425	6.7
335.01114	0.8
340.32742	0.9
342.80273	0.8
362.14471	1.7
380.15631	50.2
381.16016	4.2
387.48004	0.8
398.80475	0.9
415.12238	1.7
443.11441	0.9
460.14777	5.7
514.15448	1.9
532.16638	100.0
533.16974	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	531.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03447	1.6
58.00589	1.0
59.01376	19.0
60.01728	0.4
60.99295	0.7
61.98833	15.3
69.03455	1.9
71.00977	0.9
71.01385	15.7
71.05032	1.1
71.70024	0.6
72.99316	0.9
73.02958	4.7
83.01388	2.4
83.05067	0.9
85.02959	7.8
87.00886	1.5
89.02450	10.5
93.03471	3.4
95.01403	0.9
95.05062	0.9
96.96023	0.7
97.02969	1.1
97.06609	0.7
99.00909	1.9
99.04533	2.4
101.01773	0.7
101.02457	13.4
108.02171	0.6
109.02974	1.2
113.02466	5.9
119.03522	4.6
119.17511	0.4
121.02937	0.7
124.93390	0.5
125.02489	1.4
125.09741	0.6
131.03493	2.8
135.06633	0.9
135.08218	0.8
139.11317	0.7
143.03548	1.4
145.02995	1.0
149.04602	1.9
153.01987	1.2
159.02980	1.2
161.04596	5.8
165.12923	1.3
171.83040	0.5
177.02020	0.7
179.05621	1.3
183.04526	0.5
185.06255	0.5
187.11296	0.6
191.05617	1.4
207.13956	1.6
209.11858	1.8
227.03525	17.2
228.03911	2.2
242.07809	0.5
251.12926	0.9
251.13533	0.9
251.16507	15.5
252.17036	1.2
255.02991	23.8
256.03476	3.8
257.04489	0.5
265.18134	0.6
269.13965	4.6
273.69562	0.5
279.10925	1.8
284.03259	19.1
285.03937	6.0
297.11942	3.4
298.12192	0.6
321.12039	0.7
325.11453	2.0
333.20761	3.3
371.17303	0.7
375.27197	0.7
387.25351	0.6
397.27655	0.5
399.23895	9.1
400.24506	1.5
405.28110	2.0
407.29916	1.4
427.28592	5.2
428.28656	1.2
433.28070	0.5
435.25699	0.7
436.26065	5.0
437.27112	0.8
439.28464	8.9
440.28922	1.5
451.28516	31.9
452.28809	6.4
452.34317	0.5
457.29584	3.5
458.30048	0.8
468.25143	15.5
469.29944	16.2
470.30038	2.6
471.30298	0.7
483.27621	11.3
484.27905	2.1
487.31354	0.5
499.12891	1.7
501.28900	0.7
531.11731	22.2
531.29742	100.0
532.11902	4.4
532.30109	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	531.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03553	0.2
57.03482	0.4
59.01377	2.8
60.99343	0.8
61.98833	2.9
69.03479	0.2
69.53848	1.7
71.01393	2.3
71.05025	5.6
72.99371	0.3
73.02991	0.8
75.00910	0.3
83.01438	0.2
83.05059	0.3
85.03014	0.8
85.06635	0.5
87.00956	0.6
89.02449	1.5
95.01456	0.2
97.06639	0.3
98.19756	0.2
99.00935	0.4
101.02454	1.6
105.07179	0.3
109.06660	0.5
113.02525	0.8
119.03573	0.3
119.05122	0.3
119.08686	6.6
120.09042	0.2
121.06665	0.3
123.08224	0.2
125.02497	0.2
131.03502	0.4
135.08235	0.3
149.04668	0.6
157.06677	0.3
159.03148	0.3
159.08208	0.2
161.04631	0.8
162.46487	0.2
163.07698	1.0
173.09798	0.7
175.11290	1.0
181.50490	0.2
185.09798	0.3
187.11224	0.2
189.12964	0.7
191.05652	0.2
191.14507	0.3
197.09760	0.2
213.12875	0.3
231.13980	0.2
251.16556	0.5
257.15488	1.1
259.16992	0.9
273.18726	0.7
291.17520	1.3
295.84601	0.2
305.19171	0.3
307.20700	4.8
308.21082	0.5
318.81226	0.2
319.20697	0.3
323.23727	1.8
324.24323	0.2
325.21677	2.0
326.22110	0.3
335.23816	0.8
339.23279	0.4
341.24744	1.3
353.24969	0.8
354.25238	0.2
363.26590	0.2
369.26486	0.6
375.23373	0.5
389.28842	0.4
391.26477	3.8
392.26724	0.6
395.25992	0.8
399.23911	1.4
407.29575	13.3
408.29996	2.1
409.27585	0.4
411.29007	0.8
425.30649	15.6
426.30991	2.4
441.30042	0.3
451.28259	0.3
469.29666	1.2
470.30035	0.3
487.30655	32.1
488.31055	5.4
531.29590	100.0
532.29956	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	531.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
56.28360	0.5
56.73579	0.4
57.03459	1.4
57.33672	0.5
59.01381	9.4
60.52705	0.4
61.98832	8.2
61.99131	0.5
63.90613	0.4
69.03446	0.4
71.01390	7.4
71.01742	0.5
71.05029	5.4
71.74097	0.4
71.74529	0.5
72.99329	0.7
73.02980	2.0
74.28697	0.5
83.01433	1.6
83.05063	0.8
85.02962	3.1
87.00916	0.8
89.02460	4.7
89.02905	0.4
89.85786	0.4
92.79041	0.4
95.01420	1.0
96.96069	0.7
97.06609	0.8
99.00924	1.4
101.02464	5.8
109.02976	1.3
112.06121	0.5
113.02453	3.5
119.03520	0.8
125.02512	0.8
131.03580	1.0
137.55273	0.5
138.02016	1.9
141.35635	0.4
143.03551	0.5
145.02937	0.5
149.04617	1.4
153.01985	1.2
155.02570	0.5
159.03020	0.6
161.04613	2.1
177.12898	0.5
179.05658	0.5
183.13988	0.6
189.12877	1.9
191.05664	0.6
220.83936	0.5
314.19992	0.5
357.25800	0.5
359.23990	0.6
369.26721	0.7
375.27109	0.8
377.24576	0.7
391.26285	2.4
393.28085	5.5
394.28387	0.9
395.29529	0.7
399.23813	5.0
400.24460	0.7
407.29608	9.2
408.29919	1.7
411.28821	0.6
421.27417	3.7
423.29135	1.2
425.30655	2.8
437.26959	3.0
439.28510	4.2
440.28723	0.5
443.31607	4.4
451.28467	1.5
467.28256	1.4
469.29581	92.4
470.23209	0.8
470.29959	14.8
471.30023	1.0
487.30695	4.2
531.29602	100.0
532.30005	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	531.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60574	0.4
52.29230	0.3
55.01867	0.6
57.03435	1.5
58.00574	1.0
59.01376	14.5
59.56315	0.4
60.99281	0.7
61.98512	0.7
61.98830	13.1
69.03445	0.8
71.01384	16.8
71.05022	2.4
71.67015	0.7
72.01755	0.4
72.99289	1.7
73.02946	4.4
75.00858	0.4
83.01391	2.0
83.05019	0.5
84.95882	0.4
85.02947	6.1
87.00863	1.3
87.04520	0.3
88.98824	0.5
89.01910	0.8
89.02453	13.1
95.01405	1.0
96.49517	0.4
97.02945	0.9
97.06602	0.5
99.00871	2.6
101.02458	11.6
105.75288	0.3
111.00922	0.5
113.02466	6.7
119.03513	3.3
119.08669	0.9
121.06627	0.4
125.02455	2.1
131.03517	5.6
135.00897	0.4
137.02467	0.6
143.03493	1.5
149.04575	4.8
159.02963	0.7
161.04578	6.8
173.04617	0.5
179.05663	2.4
183.13930	0.4
191.05656	2.8
209.11748	0.7
234.49269	0.4
235.17001	0.5
237.11336	0.7
257.15320	0.6
275.02115	0.4
287.20053	0.6
293.08698	0.4
321.22092	0.5
327.23199	0.9
339.23218	0.6
369.26300	1.0
375.23401	0.5
379.35986	0.4
389.28397	0.5
390.29025	0.5
391.26508	1.8
398.01782	0.4
399.23898	11.4
400.24097	2.0
405.28076	0.5
407.29541	7.1
408.29935	1.3
409.27460	1.1
425.30594	7.1
426.30890	1.3
439.28543	0.5
451.28348	0.9
469.29486	4.1
470.30078	0.9
483.27557	5.0
484.28049	0.9
487.30634	12.0
488.31018	2.4
531.29547	100.0
532.29926	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	531.2963
Annotation	Wikstroelide E
Peak:m/z	Relative Intensity
57.03443	0.4
60.59180	0.2
60.99293	0.6
61.98831	3.3
62.70492	0.2
69.03448	1.2
71.01410	0.3
71.05022	1.9
72.72887	0.2
81.67378	0.2
83.05017	0.3
93.03468	3.9
95.05031	0.8
96.95935	0.2
101.02480	0.3
123.08162	0.4
124.90017	0.3
135.08197	0.4
137.09738	0.3
187.11279	0.3
223.14943	0.3
263.16492	0.3
269.15829	0.2
309.20621	0.3
320.73343	0.2
359.23816	0.7
361.25183	0.4
365.28513	0.3
374.26132	0.5
377.28476	1.0
387.25732	0.6
389.28442	3.9
390.29105	0.4
393.28116	0.4
395.29327	0.3
405.27985	0.6
406.25168	2.2
407.29749	1.5
423.29199	0.6
424.26254	1.0
427.28522	4.4
428.28879	0.6
433.27563	0.4
435.25336	0.4
436.26184	4.4
437.26987	1.2
439.28650	5.1
440.28879	0.7
449.26950	0.5
451.28534	26.0
452.28870	3.6
457.29904	1.3
468.25177	12.7
468.30682	0.3
469.29846	13.4
470.30054	1.7
483.27612	10.5
484.28085	1.4
501.28345	0.9
531.29578	100.0
532.29974	15.3
532.36176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.9
59.01375	100.0
61.98831	40.2
70.45027	2.6
70.49454	2.8
71.59627	5.7
83.05048	2.9
84.95662	3.1
87.00914	2.8
87.04524	2.8
88.71713	2.5
96.96024	9.7
97.06631	2.8
111.00843	3.4
115.08731	2.6
116.92846	2.8
247.88516	2.7
413.20120	3.7
418.81534	3.2
423.32941	3.3
469.33362	4.7
471.31113	3.9
531.33447	51.8
532.33344	9.9
548.08521	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	530.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.8
59.52765	0.5
60.01713	0.5
61.98833	13.0
66.08849	0.4
68.58915	0.4
71.01382	1.7
72.99294	0.7
75.00875	2.0
78.95453	0.8
78.95911	16.4
85.02959	1.4
87.00881	0.9
88.98799	0.7
89.02423	0.7
95.01397	0.8
98.19827	0.9
99.00889	1.2
113.02475	3.3
115.00450	0.4
128.84358	0.4
152.99631	2.9
165.02660	0.5
168.04343	2.8
221.41908	0.4
224.06905	7.8
242.08003	1.6
255.23289	100.0
256.23648	9.1
267.07205	0.6
279.23361	2.9
280.23611	5.1
337.35083	0.5
480.30954	68.2
481.31247	10.1
530.22418	0.7
530.30310	12.1
531.31049	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64024	0.4
54.15936	0.3
54.39599	0.3
55.01874	0.3
55.93106	0.3
57.03444	0.7
58.00585	0.9
59.01379	21.6
60.01687	0.4
61.50800	0.3
61.98831	22.4
67.01888	0.5
68.27895	0.3
69.03464	0.4
70.04052	1.2
70.04460	0.7
71.01387	13.7
72.01673	0.3
72.99311	1.2
73.02939	0.6
75.00879	5.1
79.01909	0.8
81.03448	0.6
83.01389	1.4
83.05049	2.0
85.02962	2.8
85.06583	0.4
87.00882	1.2
88.98811	0.5
89.02452	13.3
93.03465	0.5
95.01386	2.0
96.96030	0.7
97.02916	0.4
99.00883	0.9
101.02456	8.0
107.00823	0.3
107.01416	2.5
107.05045	0.5
109.02956	0.4
109.06559	0.4
109.18725	0.3
111.00867	1.2
113.02473	4.7
113.06097	1.0
114.02788	0.4
115.03987	0.5
116.92861	0.3
117.03419	0.3
119.03531	4.5
121.02943	2.6
123.00911	5.4
123.04535	0.4
124.01675	0.9
125.02463	15.8
125.06068	0.4
126.02802	0.5
126.90429	0.7
127.00387	0.5
128.03618	0.4
131.03407	0.3
134.03664	0.4
135.04558	1.7
136.98817	0.6
137.02438	0.9
137.09743	5.9
139.00389	1.8
139.04022	1.1
140.01166	0.8
143.03481	0.3
143.26611	0.3
145.02936	0.4
145.04979	0.3
149.02461	0.7
150.03220	0.7
151.00388	2.8
151.04002	0.4
153.01926	1.0
155.10802	15.6
156.11153	1.0
159.04494	0.4
164.04749	0.4
165.01926	0.4
165.05554	0.7
167.03482	0.7
168.00670	4.9
169.01440	16.2
170.01723	0.5
179.05542	0.6
181.05138	0.4
181.08749	2.3
191.05553	0.4
193.05112	0.6
195.06485	0.4
195.52493	0.3
199.09773	29.6
200.10110	2.5
211.02493	16.9
211.05850	0.8
212.02811	0.9
217.10851	2.5
219.07927	0.4
229.01341	0.5
241.03397	0.5
249.04033	1.0
271.04587	20.8
272.04868	1.3
275.01938	1.5
300.99823	1.0
313.05676	0.8
331.06747	1.6
357.02060	0.3
361.14694	0.7
379.16095	12.4
380.16364	1.3
413.13144	0.9
460.14499	0.4
468.11966	0.4
487.17935	0.4
495.15387	0.7
504.52338	0.4
513.16010	0.8
531.17096	100.0
532.17407	17.3
538.35785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3012
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
55.01887	0.6
57.03441	2.3
59.01378	20.4
60.76626	0.5
61.98829	27.6
67.01892	0.6
68.99815	1.5
69.03447	1.2
69.25546	0.5
69.39642	5.4
71.01386	13.5
71.05031	0.6
72.99310	5.8
73.02953	1.5
75.00875	17.2
78.95932	0.6
83.05014	0.7
85.02958	16.6
87.00874	6.1
88.98812	0.9
89.02458	3.0
95.01418	4.8
97.02998	0.6
99.00895	9.2
101.02491	0.7
103.00385	2.0
111.00896	0.5
113.02462	23.0
114.02785	0.7
115.00380	2.2
117.01957	2.1
129.01961	1.8
139.00397	0.6
152.99660	0.6
157.01472	1.0
175.02480	3.8
188.21233	0.6
189.04068	0.7
205.07272	1.1
231.05080	1.8
247.13168	0.5
249.06155	16.4
250.06525	0.8
267.07263	3.1
273.66663	0.5
279.23282	69.2
280.23648	7.9
469.27878	0.8
478.82690	0.6
511.28912	2.1
529.30103	100.0
530.22345	1.1
530.30383	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	530.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19572	0.3
59.01379	1.4
61.98832	8.6
67.01894	0.4
69.03458	0.3
69.54726	0.7
69.55145	2.5
71.01384	2.7
72.99329	0.4
73.02950	0.5
73.81318	0.3
74.02875	0.3
74.99112	0.8
81.03462	0.4
82.51201	0.3
83.01398	0.6
85.02966	0.9
87.00903	0.7
89.02471	0.8
95.01423	1.5
95.04999	0.5
97.02972	0.9
101.02470	0.9
107.01418	4.4
109.02941	0.4
111.00884	0.9
113.02475	1.5
121.03011	0.4
122.03759	0.5
122.54804	0.3
123.00030	0.3
123.00900	6.4
123.04539	32.1
124.01740	0.8
124.04884	0.7
125.02466	25.8
126.02847	0.7
126.90433	1.7
127.00397	0.5
135.04463	0.3
136.98996	0.7
137.02498	0.4
139.00417	2.2
140.01161	1.3
141.01967	0.4
151.00395	4.8
151.03963	0.3
153.05591	40.8
154.05939	1.3
166.99982	0.8
168.00629	1.7
169.01445	43.8
170.01787	1.5
179.03616	0.7
199.09697	0.5
207.03009	0.4
207.21545	0.3
211.02521	1.2
223.02487	0.6
241.03529	1.0
253.03571	0.7
271.04578	0.6
275.01968	0.5
277.04980	0.4
285.98090	0.4
300.12979	0.3
300.99710	0.4
313.05655	22.2
314.06052	1.4
315.10883	0.7
379.15637	0.5
467.11935	100.0
468.12299	9.5
529.27039	0.7
530.15527	1.4
530.26831	0.7
530.98413	0.7
531.17133	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	528.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95639	1.1
59.01389	1.6
61.98832	100.0
71.69114	1.5
89.80541	0.8
154.17369	0.9
160.84291	1.2
280.40686	1.0
433.01620	1.0
529.57971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.268
Annotation	Chaetoglobosin F
Peak:m/z	Relative Intensity
55.01891	1.2
56.58745	0.5
57.03435	1.7
57.98480	0.4
58.00570	0.5
59.01077	1.0
59.01380	19.5
60.97515	1.2
61.98827	5.8
63.96244	5.6
69.03453	0.9
71.01386	31.0
71.74868	1.0
72.99313	6.4
73.02957	6.8
73.98325	1.1
74.99097	5.4
75.00902	0.5
76.97028	2.9
79.95741	4.7
81.03458	0.7
83.01385	2.4
83.05032	1.3
85.02954	7.9
86.00098	1.2
87.00885	24.8
87.04523	2.1
88.98805	1.0
89.00673	0.7
89.02453	6.6
93.03466	1.3
95.01393	1.2
96.96017	2.4
97.02967	0.8
97.06602	1.5
99.00887	2.8
99.04527	2.2
99.08145	1.5
101.02451	10.4
109.03010	0.8
109.06623	0.8
111.00887	1.3
111.08147	0.9
113.02470	6.7
115.04015	0.6
115.07658	1.0
117.05585	1.0
117.97313	1.0
119.03593	0.6
120.99666	2.2
121.02965	0.6
123.00897	1.1
123.08178	1.9
125.02467	3.8
125.06115	0.8
127.07684	0.9
129.09193	2.2
131.03499	2.0
132.99684	12.4
135.04536	0.8
135.08189	0.7
135.98373	1.4
136.99178	1.0
139.00371	0.8
139.07674	2.0
143.03514	2.0
143.07155	8.6
143.10803	1.2
147.08176	1.7
149.04587	1.6
151.00729	31.9
151.07655	1.2
152.01091	0.9
153.01945	0.7
153.09203	3.0
159.02986	1.5
159.10269	1.9
161.02440	0.7
161.04591	8.1
161.08214	10.4
167.10800	0.9
169.01405	2.9
173.11827	0.6
175.02435	0.5
175.03999	0.5
187.09763	4.3
187.13402	1.3
191.05577	1.3
211.02490	1.6
215.09251	5.3
215.12785	0.6
216.13608	1.0
227.16406	0.6
271.04645	1.5
275.02017	0.6
277.12912	20.1
278.13364	1.2
289.20297	3.0
293.09061	1.2
300.99823	1.0
305.12408	5.7
305.21185	0.9
319.07031	0.6
323.22403	1.1
329.23376	0.6
337.15024	1.3
347.24396	12.6
348.24774	1.0
353.10788	0.7
359.24252	2.3
363.22061	8.2
377.14575	1.4
409.17172	17.0
410.17664	1.8
437.16635	8.5
438.17215	0.7
451.23816	1.4
453.18555	0.8
467.12073	1.0
511.26428	0.9
529.14532	4.9
529.26831	100.0
530.15778	0.7
530.27228	9.4
534.94171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25830	0.1
59.01384	1.4
61.98832	100.0
62.98527	0.1
69.61053	1.3
71.01392	0.7
73.02953	0.2
79.95733	0.2
80.96536	1.0
85.02979	0.2
89.02453	0.5
94.98090	0.2
101.02464	0.3
113.02444	0.3
119.03381	0.1
123.00958	0.2
123.04531	0.1
124.01708	0.4
125.02540	0.7
126.02774	0.2
131.03542	0.2
139.04062	0.3
149.04596	0.3
150.04984	0.2
153.02008	0.2
164.98721	0.2
168.00665	0.2
169.01476	1.0
170.01828	0.4
184.14314	0.2
211.02431	1.1
212.02867	0.5
219.61195	0.1
225.00883	0.2
271.04562	1.5
272.04929	1.3
317.42697	0.2
331.06775	0.4
332.07092	0.4
358.31638	0.1
528.17841	2.5
529.23224	0.5
529.30438	0.2
533.75818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11267	0.4
54.06981	0.4
55.01887	1.1
56.68118	0.4
57.03453	1.3
59.01381	100.0
60.01707	0.7
61.43167	0.4
61.98834	12.3
65.16235	0.4
69.03473	0.9
71.01386	16.9
71.05044	0.6
71.75914	0.5
71.76373	0.5
72.99314	1.0
73.02953	5.8
75.00879	0.7
80.96528	0.4
81.03493	0.6
83.01385	2.4
85.02956	7.1
87.00899	1.0
87.04573	0.5
88.98808	0.9
89.02457	1.7
93.44053	0.4
95.01405	2.0
96.96030	1.3
97.02963	1.8
97.06654	0.5
99.00886	2.5
99.04520	0.4
99.92395	0.4
101.02458	11.8
107.01387	0.5
108.02181	1.4
109.02959	0.6
111.00917	0.4
111.08178	0.5
113.02472	7.1
123.00916	3.5
123.04549	0.5
124.01688	11.1
124.02588	0.8
125.02467	19.0
125.09814	0.4
131.03528	0.6
135.04565	0.4
136.05286	0.5
137.02449	1.3
138.02003	6.8
139.00308	0.4
139.02306	1.5
140.01138	1.5
143.03490	0.9
149.99611	11.9
151.00404	3.4
151.07654	1.8
155.03474	0.5
159.02991	2.0
161.04572	22.7
162.04938	0.6
167.03502	0.6
168.00665	23.0
169.01459	4.4
171.10260	0.7
183.13992	0.5
205.03566	0.7
209.11876	2.0
219.10262	0.7
225.11278	0.6
233.06003	1.1
282.44940	0.4
286.60666	0.4
291.19174	0.5
336.89334	0.5
388.16669	0.6
465.17706	0.5
465.32434	1.0
467.26492	30.9
468.26831	3.2
483.33325	2.6
511.25323	0.9
527.21155	36.2
527.28259	5.7
527.39081	7.1
528.21466	4.7
528.28809	1.0
528.39484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88711	0.3
57.03440	1.2
59.01378	7.5
60.36673	0.3
61.98832	9.4
69.03426	0.4
71.01385	4.5
72.99294	0.5
73.02938	0.7
78.95889	0.4
83.01400	0.6
83.05027	0.7
83.80843	0.3
85.02958	1.0
87.00857	0.4
87.09760	0.3
89.02447	3.3
95.01357	0.4
95.05058	0.6
96.96021	1.4
97.02944	0.4
97.06626	0.5
99.00893	0.7
101.02456	3.8
109.06613	0.9
111.08174	7.7
113.02477	1.9
119.03498	0.9
125.02482	0.4
125.09746	0.5
137.09647	0.6
143.03497	0.5
161.04617	1.5
163.11275	0.5
167.10759	1.7
169.12405	0.3
171.10294	0.5
173.57176	0.4
177.12863	1.2
179.05580	0.5
179.10847	2.0
183.13933	0.8
187.09666	0.3
195.13913	5.1
197.11792	0.4
201.11365	0.9
203.14374	0.3
207.10130	0.7
209.11856	1.7
225.11317	0.8
235.08289	0.4
246.76402	0.3
247.20689	1.5
251.12650	0.5
253.09276	16.9
254.09604	0.6
263.20111	0.8
273.18622	1.7
291.19644	100.0
292.19989	7.8
429.39066	0.3
455.30435	0.3
468.66656	0.3
509.27759	0.5
527.28387	6.6
528.29230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07842	0.3
55.01869	0.8
57.03445	2.4
57.41580	0.2
58.00584	0.4
59.01378	13.6
59.28860	0.2
61.98835	2.5
64.34833	0.3
67.01876	0.6
68.99817	0.6
69.03443	0.7
70.39487	0.9
71.01385	19.3
72.01697	0.4
72.98917	0.3
72.99313	5.6
73.02941	1.6
74.98722	0.2
75.00877	16.2
80.96513	1.3
82.72860	0.2
83.01389	0.8
83.05009	0.3
83.06161	0.3
83.65183	0.3
84.02194	0.6
85.02957	22.1
86.03293	0.3
87.00890	6.2
89.02448	4.5
94.98082	0.5
95.01402	5.4
99.00890	9.7
101.02438	0.8
103.00385	3.2
111.00895	1.0
112.01670	0.5
113.02464	30.8
114.02781	0.9
115.00395	1.6
117.01946	2.5
127.03986	0.3
129.01950	1.6
131.03523	0.7
157.01405	1.1
164.98672	0.4
175.02502	3.4
183.13789	0.3
189.03960	0.3
193.03539	0.6
205.07152	2.0
205.46104	0.3
205.58685	0.2
211.13300	0.3
223.08150	1.1
231.05063	0.9
249.06134	5.8
250.06526	0.5
259.20486	0.3
267.07178	6.3
268.07391	0.4
275.20224	0.3
277.21710	48.2
278.22034	5.0
345.27316	0.3
371.17673	0.3
467.26971	0.4
509.27530	2.5
527.28577	100.0
528.28894	16.7
530.71698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.1
59.01387	8.9
60.46690	1.0
61.98835	37.0
69.03479	1.3
71.01389	50.2
71.05035	3.5
71.71882	1.3
71.72259	1.2
72.01726	1.4
73.02953	4.2
78.95897	1.3
79.95747	1.3
80.02665	1.8
80.19210	1.1
80.64103	1.2
81.03448	2.5
83.01411	1.4
83.05040	6.8
85.02965	2.4
87.00881	3.3
93.03500	1.9
95.05038	3.7
96.96017	6.9
97.02990	2.7
97.06609	4.3
99.00884	12.9
99.04527	1.3
109.02952	1.4
109.06625	3.2
110.03738	1.8
111.04544	2.1
111.08185	1.5
121.02996	1.2
123.08142	1.5
125.02499	1.3
125.09734	10.4
127.11293	2.9
129.67862	1.1
135.08202	2.8
137.09709	1.7
139.07639	1.7
153.09268	1.2
155.10759	2.2
163.11308	11.9
165.09206	1.6
165.12837	6.1
169.01456	1.4
171.10289	32.8
179.10756	2.5
181.12383	13.2
183.10387	1.2
183.13933	32.6
184.14220	2.4
185.11900	5.8
191.10825	1.5
197.11852	4.3
199.09782	3.2
199.13420	7.0
201.11340	30.8
202.11679	1.4
207.10263	19.9
209.11838	100.0
210.12146	8.5
211.13303	1.9
215.12863	2.1
221.11852	2.8
223.13332	2.5
225.11322	37.9
226.11710	1.5
227.12906	17.1
233.11882	2.3
233.15527	5.0
239.12764	1.6
243.12376	16.9
251.12872	19.2
252.13255	2.1
263.12808	2.8
269.14029	2.2
281.13919	1.9
291.19534	2.3
299.15018	4.3
299.80484	1.3
301.16571	3.5
317.16083	7.5
319.15411	1.2
325.02966	1.2
355.17340	1.3
373.23959	2.0
375.21942	1.4
395.23938	1.4
417.23578	1.4
435.24100	1.8
491.25769	5.5
509.27573	10.9
510.27960	1.6
527.28406	70.0
528.28387	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	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.1
58.00585	0.8
59.01381	16.0
61.98827	4.9
67.01886	0.8
67.07635	0.5
68.99834	1.0
69.03460	1.3
71.01383	13.4
71.52319	0.4
72.99302	5.3
72.99593	0.4
73.02956	1.3
75.00876	18.9
78.95924	0.6
81.03466	0.9
83.01419	1.1
83.05009	0.5
85.02956	19.4
86.03316	0.6
87.00887	6.9
89.02457	3.2
89.48484	0.4
95.01391	4.1
95.16221	0.5
96.96989	0.8
98.19862	1.9
98.86326	0.5
99.00890	11.1
103.00396	1.3
111.00904	1.0
113.02457	23.2
114.02821	0.6
115.00416	1.5
117.01936	2.3
125.02446	0.7
129.01988	1.7
147.51781	0.5
157.01440	0.9
164.32597	0.4
175.02483	3.5
205.07211	0.9
209.11833	0.5
210.82338	0.5
211.13316	0.5
231.05096	2.5
249.06137	17.0
250.06364	0.8
267.07233	3.2
277.21710	65.5
278.22079	8.0
356.41797	0.6
356.58499	0.5
419.92493	0.5
489.36151	2.3
490.35895	0.7
509.27628	3.9
510.28061	0.6
527.28497	100.0
528.28864	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	527.2133
Annotation	Dutasteride
Peak:m/z	Relative Intensity
50.99442	0.6
55.01898	1.0
55.77776	0.7
59.01382	63.7
61.57421	0.6
61.98832	95.6
62.98530	0.7
63.99268	0.7
69.03464	2.3
69.39008	0.6
71.01387	12.4
71.05050	0.8
71.69470	0.9
72.99308	0.9
73.02961	5.1
83.01398	2.8
83.05056	0.8
85.02961	5.4
87.00874	1.5
87.04527	0.7
88.98814	2.2
89.02460	1.6
93.03474	0.9
95.01392	2.4
96.96037	3.6
97.02964	2.5
97.06637	1.1
99.00905	2.0
101.02460	8.6
107.01462	1.2
108.02185	1.0
109.02975	0.8
113.02462	5.4
123.00890	7.1
123.04556	3.1
124.01683	29.7
124.04896	0.9
125.02472	39.7
126.02824	1.4
137.02473	2.5
138.01970	2.1
139.00475	0.7
139.02353	1.2
143.03485	0.8
146.94958	0.6
149.99605	28.5
151.00407	8.0
151.07669	1.6
153.05595	1.7
159.02997	1.9
161.04587	12.0
162.06952	0.6
167.03572	1.1
168.00664	54.1
169.01450	6.8
171.10248	1.3
179.10706	0.7
183.13841	0.8
187.11406	0.6
205.03458	0.7
209.11726	3.1
211.09578	0.6
211.13266	0.7
213.14960	1.6
225.11443	0.9
233.06015	2.6
305.21194	1.4
306.21548	0.7
313.05539	1.0
451.17062	1.0
467.26492	18.2
468.26617	2.5
483.32968	2.2
527.21210	100.0
527.38019	5.1
528.21564	14.5
528.28955	1.3
528.39703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.213
Annotation	Dutasteride
Peak:m/z	Relative Intensity
53.19375	0.2
55.01867	0.6
57.03439	1.0
59.01085	0.5
59.01377	9.6
61.98509	0.4
61.98832	8.7
65.00325	0.2
67.01885	0.8
69.03451	0.8
69.81522	0.2
71.01385	5.5
71.71687	0.3
71.72081	0.3
72.99296	1.2
73.02940	2.3
75.00872	0.2
79.01906	0.9
81.03458	0.5
83.01405	1.5
83.05015	0.5
85.02954	2.1
87.00876	0.6
88.98810	0.3
89.02455	1.8
93.03482	0.3
95.01405	2.4
96.96033	1.1
97.02959	1.1
97.06600	0.4
99.00882	0.9
101.02456	3.5
106.00645	0.3
107.01408	3.8
109.02959	0.5
109.06604	0.3
110.00128	0.3
110.44073	0.2
111.00898	2.6
111.04568	0.3
111.68753	0.2
113.02453	2.1
115.04021	1.5
119.03489	0.3
121.02949	0.4
123.00903	15.3
124.01773	1.6
125.02462	15.4
126.02802	0.5
127.00353	1.0
131.03494	0.3
131.22008	0.2
135.08025	0.3
136.98834	1.9
137.02419	0.9
137.06058	0.3
138.03268	0.3
139.00403	4.5
139.04007	0.5
140.01187	3.5
141.01965	2.3
145.02936	0.4
149.04623	0.3
149.09612	0.3
151.00394	10.4
151.04007	0.6
151.07652	0.8
152.00725	0.5
153.01950	1.1
153.05568	0.4
161.02434	0.3
161.04572	1.2
161.09711	0.5
161.13414	0.3
163.04036	0.7
163.11327	0.4
166.99890	0.4
167.03568	0.4
168.00655	3.3
169.01437	19.1
170.01788	0.8
171.10242	0.2
179.03477	0.4
179.10811	0.3
181.05034	0.4
183.03004	3.1
187.11304	0.7
189.09274	0.4
193.05048	0.3
195.03139	0.3
195.06578	0.3
205.12334	0.7
207.10147	0.5
207.13933	0.2
209.04529	0.3
209.11845	0.6
211.02460	0.5
223.13434	0.4
228.66843	0.2
233.15480	0.3
249.11192	0.3
267.12289	0.4
269.13821	0.4
271.04651	0.2
277.09372	0.9
313.05682	0.9
315.18231	0.4
319.10291	0.4
331.06802	0.9
335.20770	0.4
415.68747	0.2
467.25140	0.5
483.33255	0.8
527.21289	100.0
528.21619	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01963	0.5
55.01890	0.5
59.01381	6.2
60.26720	0.4
60.99292	1.6
61.98833	14.6
62.89419	0.4
63.22221	0.4
63.96229	1.5
69.03448	1.1
69.37971	1.6
69.38400	3.2
71.01388	8.2
72.99310	1.3
73.02944	3.3
74.03269	0.4
74.99096	2.6
75.00883	0.9
75.19106	0.4
78.98598	4.6
79.95741	8.5
80.96523	50.0
81.03477	1.2
82.78521	0.5
83.01394	1.2
83.05050	0.7
84.11600	0.4
85.02958	3.6
85.06586	1.0
86.50393	0.4
87.00893	5.0
87.04562	0.5
88.98817	14.5
89.02450	1.5
92.25446	0.4
93.03447	1.4
94.98094	14.0
95.01402	0.5
96.96025	1.7
97.02957	2.4
99.00916	0.8
101.02444	4.0
106.98100	2.7
107.01431	0.9
111.00876	1.0
113.02473	2.3
113.06103	0.4
115.04008	0.5
116.92810	0.5
119.03512	0.8
119.05033	0.5
120.99686	2.1
122.97596	5.0
123.00925	2.2
123.04533	0.6
124.01665	0.7
125.02467	7.9
125.06078	0.8
127.04041	0.8
132.99678	1.7
134.97585	3.7
135.98441	0.5
136.99184	3.5
137.02481	1.3
139.00284	0.6
140.01176	1.0
141.03883	0.5
148.99176	5.7
150.03206	1.5
150.06879	0.4
151.00685	3.4
151.03929	0.7
152.01122	0.5
152.98668	6.9
153.01944	0.8
159.04715	0.5
160.31914	0.4
161.04601	0.7
163.07664	0.6
164.98654	11.1
165.05574	0.7
167.00244	0.7
167.03519	0.9
168.00653	2.6
169.01460	7.6
179.03548	0.5
182.99721	2.5
189.07704	0.5
191.93909	0.6
195.06622	0.6
206.99652	3.1
209.11838	4.0
211.02484	7.3
212.02849	0.6
225.00742	19.4
226.01047	0.9
243.01799	2.2
244.65198	0.4
271.04593	10.7
272.04837	1.0
299.04425	2.7
313.05255	0.5
313.08514	0.5
321.20703	0.5
331.06796	1.8
365.19504	0.5
437.10843	13.2
438.11078	1.6
465.09238	0.7
465.14264	1.3
467.28427	0.6
479.14539	1.6
509.24319	0.5
527.18005	100.0
527.25140	9.1
528.18372	13.4
528.25293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07991	0.2
57.03459	0.3
57.74270	0.2
59.01382	13.7
60.01733	0.8
60.99335	0.4
61.01815	0.6
61.98833	100.0
64.61408	0.3
68.99801	0.3
69.03466	0.6
71.01388	8.4
71.05026	0.3
72.01727	1.1
72.99312	0.4
73.01780	0.3
73.02950	1.8
78.98607	1.2
79.95756	1.6
80.96526	11.4
83.01398	1.6
85.02964	2.0
85.79854	0.3
87.00885	0.9
88.98820	2.0
89.02454	8.2
90.02792	1.1
91.02881	0.6
93.03494	0.4
94.98103	2.9
95.01403	0.5
95.05022	0.4
96.96007	0.5
97.02985	0.8
97.06631	0.4
99.00891	0.7
101.02460	4.9
102.02779	0.7
103.02854	0.4
106.98130	0.5
107.01380	1.5
109.02956	0.8
111.00883	1.3
113.02452	1.4
114.02761	0.3
119.03488	1.0
121.02948	0.9
122.97595	0.6
123.00892	3.0
123.04575	0.3
124.01677	8.5
125.02467	13.4
126.02767	0.5
127.00392	0.5
127.03986	0.3
131.03522	3.5
132.03836	1.0
133.03951	0.8
134.97551	0.8
136.98862	0.4
137.02472	0.5
138.03242	0.5
139.00433	1.2
139.02998	0.4
139.04021	5.5
139.11293	2.3
139.36707	0.3
140.01187	1.4
140.04262	0.3
141.01970	0.4
148.99124	1.1
149.03482	0.3
149.04581	4.7
150.04823	1.4
151.00366	1.0
151.04964	1.0
151.11305	0.6
152.98589	0.8
153.01942	1.6
161.04536	0.4
164.98651	2.2
165.01883	0.4
165.12837	0.3
167.03438	1.2
168.00642	6.5
169.01443	15.3
169.12395	0.4
170.01707	0.4
174.52722	0.3
181.08655	0.3
181.12242	0.6
183.02837	0.3
183.10313	3.1
183.13823	1.0
185.11937	0.3
191.05568	1.7
192.05922	0.6
193.06027	0.6
195.10265	0.5
206.99652	0.5
211.02487	26.2
212.02740	1.0
225.00748	3.5
225.11179	0.9
241.03496	0.6
243.12256	0.6
271.04590	44.7
272.04919	2.3
293.13638	0.3
299.04453	0.4
313.05508	0.8
313.10532	0.4
327.14310	0.3
331.06708	12.7
332.06781	0.8
462.11569	0.3
467.24036	0.5
509.16431	1.3
527.17285	26.3
528.18286	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	527.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39053	0.5
57.03441	1.0
59.01378	9.4
59.47218	0.5
61.98833	16.0
63.96239	0.6
67.01901	0.5
69.03448	1.5
69.39357	2.5
69.39790	2.7
69.56525	0.4
71.00988	0.5
71.01387	11.0
72.99306	1.4
73.02956	4.2
73.38494	0.5
75.00877	1.0
75.32355	0.5
78.98590	5.3
79.95751	7.1
80.96522	57.4
81.03445	1.1
81.96496	0.6
83.01382	1.3
83.05060	0.6
85.02957	4.3
87.00884	4.0
87.04516	0.4
88.98779	0.5
89.02457	2.4
93.03464	0.6
94.98091	14.8
95.01385	1.7
95.05029	0.9
95.91962	0.5
96.05453	0.5
96.96011	1.8
97.02944	3.0
97.06607	2.6
99.00911	1.2
101.02459	6.9
106.98086	3.2
107.01408	1.8
108.02196	1.0
109.02969	1.3
109.06599	0.5
109.55398	0.5
111.00894	1.7
113.02470	2.7
119.03490	1.0
121.02989	0.6
121.06606	0.6
122.97604	5.2
123.00900	8.2
123.04533	0.8
124.01235	1.9
125.01501	1.0
125.02456	11.8
126.02806	2.2
127.02951	1.0
127.03973	0.9
134.97617	5.2
135.04536	1.1
136.99046	1.6
137.02477	1.2
137.06081	0.5
139.00409	2.6
139.04016	1.1
140.01146	1.4
141.01906	1.1
143.03600	0.5
148.99155	6.6
149.06126	0.6
149.99516	0.5
151.00388	5.3
152.00766	2.2
152.98634	7.6
153.00792	1.1
153.01990	1.3
161.04573	1.7
164.98645	11.6
165.05533	0.6
167.03496	0.6
168.00685	3.1
169.01443	9.3
170.01811	2.9
171.01892	2.2
179.03622	0.4
182.99634	2.6
183.13901	5.0
206.99669	3.5
211.02528	1.4
211.13354	0.6
225.00751	22.6
225.11336	0.6
226.01062	1.1
243.01743	2.1
243.12511	0.7
271.04630	0.9
299.04541	2.7
300.99753	0.6
314.06085	0.5
335.20761	3.5
467.25018	1.4
483.18665	1.6
509.16812	0.7
527.17804	100.0
527.24158	66.0
528.18286	16.2
528.24371	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	527.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59689	0.3
55.01882	0.5
55.25694	0.3
58.00598	0.6
59.01377	1.6
61.98832	0.4
65.00323	0.4
67.01898	1.2
68.99821	0.4
69.03481	0.6
71.01389	4.0
71.15951	0.4
71.16303	0.9
72.99308	0.4
73.02946	0.9
79.01913	1.1
83.01397	1.1
85.02984	1.4
87.00900	1.4
95.01418	1.9
97.03003	0.8
101.02468	1.5
107.01412	7.0
108.02260	1.8
109.02983	0.9
110.00127	0.4
111.00910	3.7
113.02496	2.0
120.03268	0.4
121.03008	0.6
122.03790	1.0
123.00909	14.2
123.04574	2.1
124.01717	3.0
125.02468	36.3
126.02840	0.9
127.00423	1.5
135.96925	0.4
136.98820	2.4
137.02469	1.9
138.55092	0.4
139.00401	5.0
139.04036	1.2
140.01193	5.3
141.01981	2.3
145.02982	0.7
149.02483	4.3
150.03250	19.8
151.00395	10.2
151.04051	3.4
152.00793	0.3
153.01991	0.6
153.05594	0.7
154.99904	0.4
161.02480	0.8
162.03253	1.3
163.04045	1.0
164.04788	1.8
165.01944	0.6
165.05598	12.8
166.02765	0.4
166.05966	0.4
166.99901	1.1
167.03548	0.5
168.00667	8.9
169.01451	56.7
170.01804	2.3
177.05568	0.5
179.03488	1.0
180.04373	0.4
181.05211	0.4
182.02162	0.4
183.03027	6.0
191.03575	0.5
193.05165	0.4
195.06616	1.3
210.01738	1.4
211.02495	5.1
223.02431	0.9
223.75212	0.4
225.04042	4.7
241.03539	1.7
253.03604	0.8
255.05099	0.5
271.04559	3.0
275.79742	0.4
285.06137	5.9
297.06149	2.2
313.05676	15.9
314.06018	1.3
327.07281	1.1
345.08337	0.6
373.07715	2.8
385.07819	6.9
386.07779	0.7
403.08920	1.2
479.11972	33.2
480.12408	4.2
491.12030	1.0
492.13455	0.4
509.13004	11.3
510.13242	1.0
527.14044	100.0
528.14429	13.1
531.97180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43449	0.4
51.83844	0.4
54.29547	0.5
55.01867	0.4
58.00575	0.8
58.18551	0.5
59.01381	2.3
65.00316	0.6
67.01886	1.9
68.99803	0.7
69.03453	0.8
70.68914	2.0
71.01382	3.3
71.57890	0.5
72.99315	0.8
79.01898	1.9
83.01388	1.3
85.02964	1.3
87.00898	1.9
89.02451	0.5
95.01384	2.6
97.02965	2.2
99.00887	0.9
101.02462	2.1
107.01402	9.8
108.02175	0.9
109.02984	0.8
111.00889	4.6
112.11829	0.5
113.02473	1.5
121.03000	1.1
122.03777	1.0
123.00901	20.6
123.04549	2.1
124.01707	3.8
125.02463	46.5
126.02821	2.1
127.00396	1.9
135.04547	0.7
136.98842	2.7
137.02417	2.4
139.00394	7.9
139.01402	0.8
139.04016	0.8
140.01192	6.6
141.01933	1.9
143.87704	0.5
145.02968	0.9
146.03711	0.5
149.02457	5.2
150.03252	24.3
150.72914	0.5
151.00388	12.3
151.03946	2.5
152.33386	0.5
153.01982	1.3
153.05551	0.6
161.02467	1.3
162.03212	1.4
163.04031	1.7
164.04831	1.7
165.05592	16.6
166.05972	0.8
166.99869	1.4
168.00671	11.4
168.02115	0.6
169.01448	66.2
170.01724	3.2
179.03516	1.6
180.04309	0.9
181.04977	0.4
183.03011	8.3
195.06610	1.6
210.01605	1.0
211.02495	5.3
212.03040	0.7
223.02478	0.9
225.04036	6.4
226.04431	0.6
241.03528	1.5
253.03461	0.7
263.20914	0.5
271.04520	4.2
285.06152	9.0
293.04984	0.6
297.06128	3.0
300.99942	0.7
313.05621	18.2
314.06085	1.6
327.07285	1.9
345.08417	0.5
373.07742	1.2
385.07724	6.9
479.11929	68.0
480.12207	9.4
509.12939	13.6
510.13419	1.6
527.14032	100.0
528.14301	17.8
547.87433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
59.01379	2.3
61.98835	1.0
64.19769	0.5
65.52760	0.5
65.75748	0.5
67.01884	1.0
68.99822	0.5
69.03450	1.2
69.71579	4.1
71.01387	4.7
72.99329	0.9
73.02958	0.8
76.46743	0.5
79.01886	1.1
83.01397	1.6
85.02977	2.0
86.88593	0.4
87.00875	1.9
89.02470	1.2
95.01423	2.6
97.02969	1.3
101.02464	1.8
107.01406	8.8
108.02193	1.6
109.02993	0.6
109.25196	0.5
110.00115	0.7
111.00912	4.6
113.02472	2.0
121.02951	1.3
122.03745	0.8
123.00909	18.5
123.04552	2.1
124.01749	2.6
125.02466	46.1
126.02782	1.1
127.00399	1.9
127.75401	0.5
136.98824	3.8
137.02475	1.9
138.03287	0.5
139.00401	7.6
139.04027	1.9
140.01169	6.7
141.01958	2.3
145.02962	1.1
149.02473	5.8
150.03247	20.5
151.00395	12.6
151.04071	2.9
153.01984	0.7
161.02406	1.2
162.03261	1.9
163.04050	1.6
164.04825	2.1
165.01901	0.6
165.05585	14.8
166.05927	0.7
166.99898	0.9
167.03496	0.8
168.00679	12.1
169.01448	68.6
170.01764	2.6
179.03513	1.9
180.04338	0.8
181.05070	0.8
183.02989	7.0
194.05888	0.6
194.99345	0.8
195.06656	2.0
210.01665	1.2
211.02490	6.2
223.02534	0.9
225.04050	5.7
241.03506	1.7
253.03549	1.0
271.04593	4.1
285.06180	7.7
297.06284	3.2
300.99899	1.0
313.05682	20.7
314.06323	0.6
319.60886	0.5
327.07269	1.2
345.75293	0.5
373.07849	3.6
385.07764	8.5
386.08212	0.9
403.08878	1.9
479.11963	55.1
480.12234	6.0
491.11731	0.9
509.13028	21.2
510.13440	3.0
527.14050	100.0
528.14380	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	527.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08495	0.5
55.01873	0.8
58.00595	0.5
59.01371	2.0
60.48716	0.5
65.00320	0.4
67.01901	1.5
67.74042	0.4
68.99828	0.6
69.03463	1.1
69.11678	0.4
69.56647	2.8
69.57067	1.4
71.01387	4.5
72.99319	1.0
73.02959	0.7
77.38492	0.4
78.95908	2.3
79.01895	1.1
83.01380	1.1
85.02958	2.6
87.00882	1.5
89.02451	0.9
93.03421	0.4
95.01400	3.2
96.96947	2.5
97.02969	3.0
99.00890	0.5
100.04058	0.8
101.02475	1.5
106.00623	0.4
107.01409	8.6
108.02200	1.9
109.02964	0.9
110.00123	0.7
110.98570	1.0
111.00900	4.4
113.02486	2.1
121.02997	1.0
122.03781	0.8
123.00909	17.2
123.04543	2.3
124.01683	1.7
125.02465	43.5
126.02793	1.3
127.00404	1.3
136.98833	2.7
137.02441	1.5
139.00388	6.3
139.04022	1.4
140.01186	6.2
141.01956	3.8
142.05048	0.6
145.02951	1.1
147.04518	0.5
148.58420	0.5
149.02493	4.6
150.03246	21.9
151.00392	11.9
151.01540	0.9
151.04028	3.0
153.01939	0.9
153.05585	0.6
154.99954	0.6
161.02444	0.9
162.03239	1.4
163.03976	1.8
164.04805	2.0
164.83017	0.4
165.01886	0.7
165.04143	0.6
165.05591	12.6
166.05942	0.7
166.99896	2.8
167.03568	0.8
168.00667	10.4
169.01445	67.3
170.01801	1.8
179.03487	1.2
180.04277	1.3
182.02248	0.6
183.03024	7.4
184.98570	1.9
185.00922	2.3
185.02347	0.7
186.07718	0.6
189.49005	0.4
191.05707	0.7
195.02997	0.6
195.06677	1.4
210.01695	1.0
211.02470	6.4
220.03656	0.5
223.02438	1.0
225.04047	6.9
241.03464	1.7
253.03584	1.3
257.89673	0.4
258.24203	0.5
271.04572	3.8
285.06177	7.3
286.06656	0.7
297.06073	2.2
300.99924	0.8
301.99661	0.5
313.05655	18.3
314.06021	0.8
327.07156	1.8
344.01309	0.5
345.08237	0.5
373.07739	2.2
374.09299	0.5
385.07751	7.0
386.08197	0.9
403.09097	0.9
479.11963	44.4
480.12238	5.4
491.11853	1.1
509.12921	13.1
510.13135	1.1
527.14026	100.0
528.14331	12.8
528.21930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
60.50533	0.2
61.98832	100.0
68.99807	0.4
69.03448	0.3
71.01402	0.8
71.72470	0.4
80.48250	0.3
83.05047	0.3
85.02962	0.4
85.48343	0.2
89.02454	0.3
96.96024	0.4
101.02453	0.4
108.02197	0.3
109.02979	0.4
113.02441	0.5
119.85436	0.2
123.04472	0.2
125.02539	0.3
131.74446	0.2
153.01979	0.4
165.12950	0.4
169.01500	0.3
169.12383	1.0
170.12788	0.5
171.10327	0.8
197.11887	1.1
198.12173	0.8
209.11876	2.9
210.12210	1.2
225.11453	0.6
226.05228	0.2
227.12938	0.5
233.15520	0.4
287.47330	0.2
291.19794	0.6
407.82101	0.2
526.27557	3.5
527.26257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54501	0.5
58.00572	0.8
59.01381	18.9
61.98830	4.8
67.01883	0.7
69.03457	0.6
70.59180	0.5
71.00991	0.8
71.01385	11.9
71.26980	0.5
71.27370	0.4
71.66682	0.6
72.99289	1.4
73.02930	2.2
74.99072	1.0
79.01865	1.1
83.01378	1.7
84.63214	0.4
85.02971	4.2
87.00861	1.6
88.98791	1.0
89.02452	9.5
95.01416	2.6
96.96013	1.0
97.02921	1.1
99.00895	1.1
101.01871	0.9
101.02462	11.6
107.01412	4.9
110.00119	0.5
111.00914	2.5
113.02469	4.4
119.03544	4.0
120.99632	1.1
123.00899	14.1
124.01669	2.0
125.02464	35.0
126.02774	1.6
127.03954	0.7
131.03464	0.7
136.98920	1.7
137.02440	0.9
139.00391	4.7
140.01186	4.2
141.01904	1.8
149.02480	0.6
150.03185	1.0
151.00394	12.1
151.03929	1.2
152.00700	1.1
153.01903	1.6
159.06691	0.8
161.04607	0.9
164.04691	0.6
165.01927	0.9
167.03479	1.2
168.00665	7.6
169.01447	37.8
170.01756	1.4
172.09802	0.8
178.02594	0.6
179.03479	1.0
179.05530	0.6
179.07118	0.8
181.05037	1.4
183.02956	0.5
183.45045	0.5
189.05655	0.5
193.82959	0.6
193.98576	0.9
194.99361	1.5
195.02959	0.7
195.06595	0.8
201.11398	0.5
211.02501	8.8
212.02815	1.1
213.04008	1.7
217.01466	0.5
223.02612	0.6
255.05072	3.1
271.04651	6.3
272.04941	0.8
287.07819	1.1
300.99747	0.9
313.05679	4.0
315.01398	1.0
325.11368	0.6
331.06677	4.3
357.04483	0.6
362.74420	0.6
375.09332	86.4
376.09653	8.7
439.08762	1.6
467.21747	1.0
479.12067	1.2
483.07657	0.9
509.05273	1.0
527.10443	100.0
528.10742	12.4
549.70673	0.6
554.97644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59654	0.4
59.01376	4.9
61.98830	100.0
68.99826	1.0
70.89133	0.4
71.01387	2.2
72.99318	0.5
89.02470	1.0
96.96029	2.4
98.20693	1.0
99.78202	0.4
101.02474	1.5
109.06537	0.6
111.08151	2.5
113.02517	0.7
125.09776	0.6
161.04700	0.6
163.11311	0.6
171.10300	1.3
177.12923	0.5
179.10825	0.6
181.12321	0.5
183.13866	2.6
195.13937	1.5
197.11899	0.7
199.13382	1.0
207.10257	0.5
209.11935	2.0
210.12233	0.6
224.10269	0.6
225.11345	0.6
227.12961	0.7
247.20526	0.6
253.09305	6.5
262.73203	0.5
291.19653	35.5
297.30502	0.5
343.50339	0.5
347.21887	0.7
356.64899	0.5
385.27728	1.2
401.30872	2.1
402.30807	0.6
445.29410	0.9
463.30695	7.2
464.31274	1.1
488.34830	1.5
526.25891	3.6
527.28253	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	526.323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94005	0.1
55.42415	0.1
59.01379	3.2
61.98832	100.0
62.98537	0.2
69.38283	0.2
69.38674	1.6
71.01393	1.1
71.05009	0.2
72.99298	0.2
73.02962	0.5
82.02998	0.2
83.01397	0.4
84.26080	0.2
85.02962	0.3
88.98824	0.2
89.02464	0.4
89.08410	0.2
95.01421	0.3
96.96040	0.5
97.02941	0.1
97.06613	0.3
101.02481	0.6
109.02964	0.2
112.51682	0.2
113.02506	0.5
113.06113	0.3
121.02967	0.2
123.00934	0.2
123.04539	6.3
124.01698	0.6
124.04877	2.2
125.02460	1.2
131.03632	0.2
136.04033	0.4
137.02428	0.2
138.01987	1.5
139.04037	0.1
139.07722	0.2
148.18925	0.2
149.99670	0.5
151.00368	0.2
151.07669	0.3
153.05598	5.4
154.05937	2.4
155.06010	0.2
157.05110	0.2
161.04626	0.5
163.04042	0.2
164.03580	0.5
165.12889	0.4
166.13242	0.3
168.00677	0.9
169.01437	0.3
171.10329	0.3
183.13919	1.2
184.14268	0.7
194.04575	2.2
196.06248	0.4
209.11781	0.8
213.14885	0.2
227.12938	0.8
228.13322	0.5
233.06140	0.3
234.12311	0.2
244.09920	0.2
248.66829	0.2
251.12906	0.4
252.13147	0.2
265.14362	0.2
270.07715	0.7
275.12747	0.2
276.12988	0.2
285.08813	0.3
287.10416	1.8
293.14011	0.7
294.14304	1.1
304.20035	0.3
305.21161	1.5
313.08536	0.2
331.09305	0.3
341.25739	0.2
358.11737	0.6
363.12021	0.6
371.17319	0.3
372.17661	0.7
406.17883	0.3
450.16824	1.8
451.17377	0.3
463.27042	0.6
467.26837	0.5
483.33429	0.5
526.15918	0.3
526.23627	4.2
527.21826	1.4
527.28882	0.7
527.39771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42711	0.3
59.01373	1.9
60.30542	0.3
61.98832	100.0
70.63353	1.0
71.01395	0.6
72.49052	0.3
78.53783	0.3
96.96030	0.7
113.69411	0.3
123.50717	0.3
125.09702	0.4
145.98628	0.3
153.67226	0.3
171.10298	0.7
180.11061	0.3
183.13927	1.8
184.14294	0.7
197.11850	1.5
198.12196	0.8
209.11751	0.4
225.11389	0.7
227.12950	0.4
253.09265	0.4
261.13959	0.4
291.19620	3.5
301.09387	0.3
411.66544	0.4
457.48810	0.3
466.29199	0.6
488.34592	4.6
489.35358	0.4
490.36285	0.4
509.27417	0.3
526.26837	3.5
527.28278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
61.98832	100.0
62.34195	0.2
63.99248	0.2
68.59111	0.2
69.38506	2.4
71.01396	0.6
71.32916	0.2
78.26693	0.2
79.95759	0.3
83.05067	0.4
85.02970	0.3
89.02482	0.4
96.96033	0.5
101.02443	0.3
118.96919	0.2
129.46463	0.2
143.63397	0.2
163.11395	0.3
171.10313	1.0
174.88834	0.2
179.10812	0.3
180.11241	0.2
181.91393	0.2
183.13939	0.4
197.11855	1.6
198.12204	1.2
207.10327	0.4
209.11852	2.0
210.12187	0.8
225.11392	0.7
227.12959	0.4
233.15503	0.8
279.01743	0.3
286.16000	0.2
318.20538	0.2
507.00699	0.2
526.26953	2.5
527.15320	0.2
527.27649	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	526.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
61.98831	42.3
65.11279	0.5
69.33543	6.7
74.12514	0.5
75.48788	0.5
85.93317	0.6
107.01420	1.8
108.02167	1.1
109.02980	1.2
121.02879	1.5
123.00883	0.8
125.02533	0.7
135.00929	0.8
148.01729	0.7
150.06886	3.6
151.00385	9.4
153.01852	0.6
163.00366	2.1
169.01454	1.3
178.99931	4.7
179.10724	0.9
183.02879	0.6
226.02756	1.0
227.03564	1.8
243.02974	6.5
245.04453	0.7
254.02126	1.7
255.02975	18.2
256.03302	1.7
271.02451	40.4
272.02917	3.8
273.03906	0.9
299.02100	0.8
300.02747	74.7
301.03455	39.9
302.03799	2.7
306.18286	0.9
321.20731	1.4
463.08795	100.0
464.09152	14.4
526.16486	2.6
527.24854	2.8
550.36755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74742	0.4
51.65453	0.3
51.88137	0.4
59.01378	4.9
61.98833	100.0
62.22129	0.3
69.45159	3.8
71.01389	2.2
73.02963	1.1
77.02640	0.4
78.73611	0.3
82.26791	0.4
83.05053	0.4
85.02963	1.1
87.00928	0.5
89.02444	2.5
95.23753	0.4
101.02453	3.3
113.02481	1.3
113.79509	0.4
119.03542	0.9
119.48807	0.3
121.81255	0.4
125.02441	1.1
135.34169	0.4
157.37781	0.5
161.04625	0.7
163.86292	0.4
165.12891	3.1
166.19284	0.4
169.01389	0.5
183.13922	37.8
184.14290	2.1
209.11865	0.8
227.12926	3.1
235.08208	0.5
253.09261	2.9
265.05847	0.4
341.92026	0.4
463.21854	51.8
464.22144	7.7
508.17227	1.5
526.19476	1.6
527.21027	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	526.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43475	0.6
57.91121	0.6
59.01379	32.4
61.98832	100.0
65.00319	1.6
69.03450	1.1
69.37469	1.2
69.37872	6.5
71.01385	8.2
73.02959	2.5
75.00904	1.2
83.01404	2.6
85.02966	4.0
87.00898	1.0
89.02447	3.8
92.45367	0.7
93.03446	1.5
95.01415	0.9
96.96004	0.8
97.02943	0.7
99.00914	1.0
101.02464	6.0
104.16634	0.6
107.01407	3.3
108.02196	3.4
109.02995	2.3
113.02477	2.9
121.03006	3.3
123.00912	3.0
123.04556	1.7
124.01729	1.0
125.02456	5.5
127.67291	0.7
131.03537	1.8
135.04543	1.0
137.02448	1.7
139.00446	0.9
139.11304	11.6
149.02461	0.9
151.00391	14.5
152.01152	3.0
153.01895	3.5
154.02347	1.0
161.02470	0.9
161.04570	3.2
165.09200	1.2
168.00726	1.5
169.01440	4.8
170.01750	0.9
175.02510	0.9
175.03970	0.6
178.99895	7.0
179.03529	0.8
181.08698	0.9
181.12370	5.5
183.10284	14.5
191.05705	1.1
192.00783	0.8
193.01436	1.0
193.58713	0.8
197.04581	1.0
197.12027	0.7
207.02983	1.0
225.03381	0.7
225.11385	2.1
237.09894	0.9
243.12440	0.8
271.05035	0.7
283.07278	1.1
300.02899	1.8
301.00089	1.4
301.03528	26.8
302.04007	2.8
334.19696	1.0
335.20801	3.2
445.21179	1.8
450.16541	1.6
463.08804	26.7
463.21777	84.7
464.09213	3.4
464.22101	11.0
467.25104	2.6
494.15634	1.5
526.16882	1.4
526.24481	10.3
527.20929	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	525.2703
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
53.58569	0.2
54.55590	0.2
55.01871	0.8
57.03461	1.6
59.01378	3.0
61.98831	6.6
67.01902	0.5
68.36974	0.2
69.03459	9.4
70.61583	0.5
70.61942	0.5
71.01386	2.2
71.05035	2.8
73.02956	0.6
73.12337	0.3
80.02682	1.9
81.03460	2.7
83.01408	2.1
83.05031	6.5
83.21797	0.3
84.01752	0.3
84.02183	1.7
85.02958	0.4
85.84576	0.3
89.02441	0.6
91.04037	0.2
93.03455	0.4
95.01401	0.3
95.05031	1.9
96.96027	0.4
97.02966	0.9
97.06594	2.0
98.19942	0.3
99.00870	0.6
99.52703	0.2
101.02449	0.6
107.05100	0.3
108.02178	0.4
109.06599	1.0
111.04493	0.5
111.08181	0.6
121.06607	0.3
123.08193	3.1
125.06110	0.9
125.09739	6.1
126.10089	0.4
131.03490	0.3
135.08168	1.5
137.09735	0.9
147.11803	0.7
149.09718	1.5
151.11301	5.8
152.11658	0.4
153.12860	2.1
161.09749	10.3
162.10049	0.5
163.11308	5.9
164.11647	0.3
165.12869	3.8
167.11046	0.2
171.10229	0.4
177.09178	0.3
177.12947	0.4
179.10789	30.3
180.11089	1.2
181.12303	0.8
185.11832	1.9
191.10794	1.6
195.10196	0.3
197.11841	98.2
198.12199	4.8
205.08762	0.3
207.10249	0.7
209.11836	76.5
210.12141	3.6
221.11865	0.7
223.09755	4.2
225.11301	1.0
227.12903	9.6
228.13237	0.6
239.12769	0.5
241.10823	13.8
242.11174	0.9
297.13425	5.9
298.13834	0.5
315.14496	18.3
316.14804	1.2
333.22711	0.7
338.67017	0.3
363.21622	0.3
389.23337	1.4
407.24295	0.4
445.25781	0.6
463.26898	1.5
465.26917	0.9
507.25732	2.5
508.26199	0.3
525.26984	100.0
526.27344	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79482	0.5
55.01873	1.3
57.03452	0.6
58.00605	3.1
59.01381	100.0
59.22620	0.5
60.01713	1.4
61.98834	2.7
69.03473	0.9
69.46232	5.4
71.01388	54.1
72.01738	1.3
72.99317	3.0
73.02956	5.3
83.01379	2.7
85.02959	7.3
87.00900	1.9
89.02454	86.9
90.02776	1.4
93.28161	0.6
95.01373	0.6
96.71458	0.5
99.00300	0.8
99.00887	5.2
101.02455	38.6
102.02802	1.2
108.19745	0.5
111.00887	0.5
113.02467	10.5
119.03523	5.8
123.00925	1.2
125.02483	2.7
129.01994	2.7
131.03525	56.3
132.03853	1.9
142.53510	0.6
143.03462	0.9
149.04573	79.7
150.04926	1.9
151.00394	0.9
152.07176	1.1
161.04626	0.8
167.38329	0.6
169.01447	2.2
173.04514	1.1
174.12926	0.6
191.05630	35.5
192.05898	1.0
202.10036	0.6
203.11551	0.6
207.85600	0.5
221.06664	3.5
240.04318	0.7
251.07687	2.2
263.07816	0.7
281.08801	1.6
293.08734	1.4
311.09824	2.8
313.10898	0.7
318.97681	0.6
525.23743	10.0
525.35486	1.4
526.23663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13281	0.3
57.03459	0.7
59.01381	8.8
61.98832	100.0
63.71809	0.3
64.57304	0.3
69.03449	0.5
71.01387	3.3
71.05029	0.4
71.26540	0.9
72.99313	0.5
73.02955	3.0
75.00887	0.6
79.74074	0.4
81.77847	0.3
83.01397	1.0
83.05053	0.8
85.02970	1.5
87.00892	0.7
87.04527	0.6
88.98814	0.6
89.02483	0.7
93.03463	0.4
95.01372	0.6
95.05058	1.1
96.96037	1.2
97.02966	0.8
97.06621	0.6
99.00933	0.5
101.02463	2.2
107.04993	0.4
108.02175	0.8
109.02941	0.8
109.06628	0.6
111.00880	0.4
111.08200	0.5
111.39317	0.3
113.02460	1.3
122.03779	0.7
123.04541	68.9
124.04884	2.2
125.02470	1.4
131.03517	0.8
135.04552	0.4
137.02449	0.6
138.02025	1.0
139.07605	0.4
145.03165	0.3
149.02542	0.4
151.00415	0.4
151.07674	0.7
153.05592	63.6
154.05908	2.9
161.04573	0.7
163.11330	0.4
164.03529	0.4
165.12863	5.4
168.00623	0.5
169.01430	0.5
171.13930	1.4
181.12270	0.5
183.13911	16.0
184.14220	0.8
189.12852	0.9
194.04614	2.9
203.14453	0.6
205.12422	0.5
207.13942	1.9
207.15581	0.3
209.11830	1.0
219.13954	0.3
221.11942	0.4
221.15457	1.8
223.13403	0.5
223.75792	0.3
227.12892	8.4
228.13220	0.8
231.08249	0.4
231.13887	1.3
233.11848	2.9
237.14864	0.5
249.14944	1.7
251.12880	4.5
263.12958	0.4
265.14459	2.6
269.14038	0.8
270.07748	0.9
275.12949	2.4
281.13834	0.5
285.08740	0.6
287.10278	2.0
293.08936	0.6
293.13947	14.7
294.14279	1.4
303.19675	5.6
304.20163	0.5
311.14886	0.8
314.07205	0.4
315.10886	1.3
323.22430	0.5
333.53522	0.4
341.04669	0.3
353.15997	0.4
358.11829	1.1
371.17087	8.6
372.17474	0.8
450.16727	1.8
463.27014	0.7
464.33109	0.6
465.33099	1.4
481.32166	0.8
508.22186	0.4
525.23364	39.0
525.29724	1.7
526.08850	0.4
526.23676	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	525.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70044	0.3
55.01862	0.5
57.03442	0.6
58.00587	0.3
59.01376	4.7
61.98828	6.6
63.31088	0.3
67.01895	0.9
69.36577	3.0
71.01384	3.8
72.99302	0.7
73.02944	1.1
75.00878	0.4
79.01895	1.2
83.01393	1.1
85.02956	2.0
87.00871	0.7
87.04520	0.7
88.98841	0.5
89.02455	1.4
90.11887	0.3
92.76331	0.2
95.01408	1.5
97.02966	0.7
101.02452	2.5
103.04018	0.4
107.01389	2.8
108.02209	0.4
109.02953	0.6
110.00084	0.3
111.00896	1.8
113.02469	1.6
119.05101	0.4
121.02947	0.5
123.00900	13.9
123.04507	0.5
124.01650	1.0
125.02465	11.3
126.02809	0.4
127.00366	0.8
131.03493	0.6
134.91428	0.3
135.04517	0.6
136.98825	1.3
137.02434	1.1
139.00407	4.0
140.01198	3.1
141.01949	1.9
149.04535	0.3
151.00386	9.5
151.03987	0.6
152.00945	0.4
153.01924	0.9
153.05560	0.9
161.04582	0.6
163.04021	1.2
165.05530	0.4
166.06403	0.8
167.07120	0.4
168.00647	3.7
168.07515	0.7
169.01437	16.2
169.07727	0.3
170.01779	0.6
179.03471	0.5
181.05075	1.0
181.08699	0.5
199.98988	0.3
211.02432	0.9
217.05164	0.3
240.04248	0.8
271.04645	0.6
282.63229	0.3
298.08530	1.0
313.05707	1.3
313.10910	1.6
314.13263	0.6
315.13531	1.4
465.23389	0.6
477.19437	0.5
524.35785	0.4
525.23395	100.0
526.23779	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	525.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00565	0.3
59.01380	3.5
60.62722	0.2
61.98817	0.9
63.97878	0.2
67.01872	0.7
69.45770	0.7
69.46182	1.5
71.01390	2.1
72.99303	0.5
73.02950	0.2
79.01907	0.7
81.03471	0.3
83.01388	0.5
85.02945	0.6
87.00877	0.3
89.02448	0.7
94.03523	0.2
95.01388	1.2
97.02950	0.5
101.02456	1.3
103.49116	0.2
107.01402	2.5
111.00890	2.1
113.02445	0.9
123.00902	11.7
124.01767	1.1
125.02467	10.5
126.02820	0.4
127.00384	0.8
136.98828	0.9
138.99397	0.4
139.00378	3.4
140.01176	2.6
141.01962	1.2
145.55629	0.2
150.99153	0.4
151.00389	8.1
152.00706	0.3
153.01930	0.7
163.04045	0.2
168.00652	3.3
169.01440	14.2
170.01768	0.7
181.04994	0.3
187.28831	0.2
191.99579	0.2
211.02484	4.2
224.43839	0.2
241.03575	0.3
251.07935	0.2
252.22621	0.2
253.03609	0.3
258.91800	0.2
271.04581	3.6
313.05554	1.1
465.23599	0.3
525.23370	100.0
526.23724	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	525.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93571	0.6
54.36891	0.6
57.03450	1.7
58.00572	0.8
59.01379	21.4
61.98833	11.5
63.58706	0.6
67.01886	0.6
71.00305	1.0
71.00650	1.6
71.01384	14.8
72.13433	0.8
72.31308	0.7
72.37043	0.6
72.99286	1.2
73.02950	1.6
74.99094	0.7
78.20026	0.7
85.02946	4.4
87.00884	2.0
88.98804	1.0
89.02454	16.5
93.03473	4.0
95.01414	1.3
95.96210	0.8
96.96005	0.9
101.02454	9.8
106.25403	0.7
107.05017	1.4
108.02187	2.2
109.02978	1.8
111.00868	1.2
111.40141	0.6
113.02465	8.1
116.92896	0.7
119.03506	6.4
121.02972	8.3
121.04401	0.7
122.03779	9.6
123.00906	1.5
123.04543	1.9
124.01619	1.6
125.02509	1.6
131.03514	1.3
132.02301	0.8
134.03758	28.4
135.04544	16.2
136.01691	1.0
137.02473	9.5
137.06084	1.2
138.03177	2.0
139.03976	1.4
143.03477	1.7
145.02989	1.4
146.03755	46.7
147.04420	4.2
149.02522	1.0
149.06102	40.5
150.03259	5.3
150.06445	2.3
151.04037	0.7
153.01968	0.9
161.02512	1.0
161.04619	2.3
161.06091	28.6
162.03255	7.8
162.06381	1.7
163.03931	1.2
164.04817	22.0
165.01956	4.6
165.05592	46.6
166.02718	1.2
166.06364	16.3
167.03531	3.5
167.07156	73.7
168.00806	0.7
168.07538	4.3
169.01430	2.5
171.10254	0.8
174.03110	0.8
176.04846	0.9
177.05568	6.3
179.03725	2.1
179.05789	4.4
179.07149	100.0
180.04259	4.3
180.05949	1.0
180.07462	6.5
181.05086	3.4
182.05614	0.8
183.06644	21.4
184.06964	1.3
189.05621	2.8
195.06686	6.4
196.07083	0.8
209.04655	1.3
221.08212	2.3
231.06755	0.7
279.10406	0.6
281.06641	5.2
311.07748	2.4
312.10010	1.1
315.09201	0.4
315.12357	15.1
316.12842	1.9
327.12399	22.6
328.12729	3.1
345.13507	6.6
346.13910	0.9
363.14621	0.9
465.22784	1.6
477.13913	9.8
478.14359	2.2
525.15625	3.9
525.29724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47046	0.3
55.01902	0.3
57.03461	0.3
57.73679	0.3
58.00588	0.3
59.01383	3.2
61.98824	2.4
67.01887	0.8
68.99807	0.3
69.03448	0.4
71.01382	2.5
71.05246	0.4
71.05555	0.3
72.99308	0.8
73.02960	0.8
79.01895	0.7
81.03481	0.3
83.01392	1.1
85.02972	1.4
86.00108	0.3
87.00893	0.5
88.98831	0.4
89.02461	0.7
93.03407	0.3
95.01408	1.8
97.02971	0.7
98.38933	0.3
99.00893	0.6
101.02453	2.2
107.01398	2.8
108.02220	0.3
109.02946	0.3
111.00922	2.2
113.02440	1.0
115.53564	0.4
123.00909	13.2
123.04536	0.4
124.01677	1.0
125.02470	12.2
126.02848	0.5
127.00385	0.7
128.68413	0.2
133.97247	0.3
135.04568	0.3
136.98837	1.0
139.00400	3.6
140.01186	3.4
141.01974	1.9
145.02939	0.4
149.04579	0.3
151.00394	9.7
151.03984	0.5
152.00774	0.4
153.01952	0.8
154.99893	0.4
161.04608	0.3
163.04089	0.6
165.05505	0.2
168.00658	3.3
169.01453	16.4
170.01736	0.4
181.05052	0.4
189.39339	0.3
204.76297	0.3
211.02530	0.7
225.20689	0.3
235.42175	0.2
253.03513	0.3
271.04642	0.6
285.62360	0.2
299.99847	0.3
311.62802	0.3
313.05704	1.2
462.42789	0.3
525.23383	100.0
526.23767	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	525.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
57.03443	0.6
59.01372	1.9
61.98830	7.7
68.99806	0.4
69.03455	0.7
69.35345	0.5
69.35748	2.7
71.01382	2.4
73.02951	0.9
74.59394	0.2
75.00888	0.6
81.03458	1.7
83.01401	0.8
85.02953	4.0
88.98815	0.5
89.02438	0.5
93.03478	0.7
95.01395	3.4
96.96025	0.7
97.06651	0.5
99.00904	0.6
101.02454	1.2
107.05062	0.3
108.02186	70.6
109.02975	43.8
110.03311	1.6
111.00891	0.2
111.08187	0.4
113.02473	0.9
121.02969	1.0
122.03780	0.3
123.00901	3.6
123.04541	0.9
125.02477	1.0
131.03424	0.3
133.02975	0.5
135.00883	0.7
135.04553	0.7
137.02455	0.3
139.04022	0.3
145.05186	0.3
151.00352	0.2
151.04094	1.3
151.06203	0.3
152.01166	66.7
153.01961	21.8
154.02246	0.8
161.04541	0.4
163.04018	1.1
165.01974	0.5
165.12823	3.1
169.01418	0.6
171.13913	2.4
183.13910	11.4
184.14342	0.5
195.02937	0.3
207.13882	0.3
209.11841	0.9
221.15599	0.3
227.12852	1.0
231.13817	0.2
233.11725	0.2
251.12794	0.8
265.14444	0.6
293.08585	0.4
293.13928	0.6
315.07257	2.0
385.41684	0.3
450.17322	0.4
465.23593	0.3
481.20676	3.8
482.21344	0.5
507.18701	7.6
508.19009	0.9
525.19666	100.0
526.19995	17.8
546.20319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44423	1.1
56.98024	1.7
57.03444	1.3
58.00599	3.1
58.99592	1.4
59.01383	26.7
61.98830	16.7
65.04560	1.0
67.01908	1.8
68.99811	1.0
69.39516	9.8
69.39933	2.3
71.01391	24.2
72.99323	2.9
73.02949	5.6
74.99100	4.7
75.00851	1.4
81.03475	2.0
83.01383	3.0
85.02963	6.4
87.00892	9.8
88.98803	1.3
89.02460	18.2
91.01925	2.4
93.03474	22.8
95.01408	3.6
97.02967	1.8
99.00912	1.8
101.02473	11.8
107.01391	2.7
107.05056	1.0
108.02190	8.7
109.02964	3.8
111.00888	3.1
113.02460	9.2
119.03516	2.0
119.05032	1.2
120.99683	1.4
121.02967	16.4
122.03753	9.1
123.00924	8.3
123.04551	19.5
123.08119	1.1
124.01739	1.4
125.02481	7.3
131.03548	3.3
133.02977	2.5
135.04543	4.2
136.01691	1.2
136.99146	1.7
137.02469	43.7
138.03220	4.0
141.09212	1.6
145.02950	3.8
146.03725	1.8
147.04536	1.9
149.02477	21.6
149.04594	2.4
149.06091	2.6
150.03253	60.4
151.00385	9.3
151.04068	8.0
152.01190	15.5
153.01982	5.3
153.05582	3.5
156.01474	1.0
159.72031	1.0
161.02460	26.7
161.04546	2.3
161.06067	1.6
161.10719	1.0
162.03319	5.2
163.04008	3.1
164.04820	11.0
165.05594	48.4
166.02782	2.3
166.06358	26.6
167.03525	64.4
167.07155	65.0
168.03838	3.0
168.07518	2.7
168.45175	1.2
169.01430	3.2
176.04799	37.3
177.01907	2.0
177.05363	2.5
179.03456	3.1
179.07231	1.5
180.04280	2.1
181.05069	3.0
183.06619	1.7
191.05423	2.5
191.07166	42.1
192.04308	1.9
192.07478	2.0
193.08725	3.1
194.05838	1.9
195.03009	2.1
195.06660	12.2
207.06604	2.3
209.02654	1.1
209.04527	3.4
209.08186	1.3
217.76346	1.3
221.08208	18.5
238.48120	1.3
239.05420	1.3
249.06042	2.5
251.05803	1.4
271.04355	1.6
295.08151	1.3
296.05554	6.0
311.07739	78.0
312.08075	6.1
327.08661	4.6
327.12201	1.3
333.19217	4.4
342.11044	3.4
345.13693	2.7
357.13449	82.7
358.13705	9.4
363.17026	2.1
373.11401	1.3
375.14526	2.9
465.23578	2.4
477.14029	100.0
478.14209	13.8
489.13715	1.2
507.15372	1.8
514.05426	1.1
525.16290	11.2
525.22949	2.3
525.29578	2.1
526.16663	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	524.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93277	0.3
59.01380	1.3
61.98831	100.0
71.05060	0.4
72.85867	0.4
84.14364	0.4
87.81424	0.3
95.05032	0.5
96.96016	1.0
98.19875	1.2
99.00908	0.5
109.06600	0.3
112.79570	0.4
125.85918	0.4
127.07722	0.7
171.06712	0.5
179.10835	0.8
197.11850	2.0
209.11760	2.2
227.12962	0.4
233.22446	0.4
238.85918	0.4
241.10889	0.4
297.13544	0.4
309.16992	0.6
401.65179	0.4
437.29068	0.7
461.29254	0.5
524.29156	1.6
524.36847	2.4
525.26770	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	524.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33679	0.4
51.87764	0.5
54.09446	0.5
55.01884	1.9
57.03456	3.0
58.00597	1.2
59.01382	28.6
60.01723	2.3
61.98836	15.2
69.03465	0.8
69.64307	3.9
71.01389	29.9
71.37386	0.5
72.01729	3.3
72.99313	2.4
73.02956	6.2
74.03310	0.7
74.83759	0.5
75.00878	0.8
83.01399	3.2
84.01731	0.6
85.02963	11.5
86.03296	1.5
87.00880	1.0
87.04520	0.5
88.98821	1.2
89.02457	13.2
90.02802	1.5
93.03455	0.7
94.06644	3.9
95.01401	3.4
97.02981	1.1
98.20613	1.0
99.00901	1.2
101.02460	18.1
102.02788	2.1
102.03407	0.5
105.11947	0.5
106.06662	1.5
107.01405	1.5
107.03784	6.3
107.04964	0.5
108.02121	0.7
108.04564	1.3
109.02971	0.6
110.74418	0.4
111.00873	2.3
112.01303	0.7
112.30494	0.5
113.02468	9.8
114.02805	1.8
119.03516	5.0
120.03866	0.8
120.04635	0.9
121.02969	0.8
121.05366	0.7
122.06139	27.2
123.00913	5.0
123.04508	0.6
123.06454	0.9
124.01729	1.1
124.07710	2.9
125.02453	6.4
132.04553	4.0
134.06151	6.5
135.04550	1.9
136.07631	0.6
137.02490	1.1
138.05641	0.5
139.00409	1.8
139.02773	1.3
139.03999	0.5
140.01172	1.3
141.01964	0.8
143.03540	0.9
148.07758	0.5
149.04706	0.5
150.05637	1.1
151.00386	4.3
151.04050	1.0
151.06148	2.2
152.07211	50.1
153.01926	0.6
153.05632	0.5
153.07556	2.5
158.02415	1.0
159.03026	1.3
160.04118	2.3
161.04572	2.9
162.05693	1.0
163.04018	0.6
165.05623	1.0
165.12842	1.2
166.05075	0.9
166.06389	1.1
166.13245	0.7
168.00688	1.3
168.14896	0.7
169.01451	9.7
171.13971	1.1
172.04051	1.3
174.01872	0.6
176.03548	2.5
176.07207	0.9
181.05092	0.6
183.13939	8.7
184.14267	6.7
190.05142	4.8
191.05765	0.6
192.06633	0.6
197.15486	2.9
198.15865	2.8
199.08713	0.7
211.02498	0.6
211.12440	0.9
212.10941	0.9
215.11861	3.3
219.94237	0.5
223.08826	1.7
224.09381	2.3
225.10092	0.7
227.08205	1.2
227.12941	2.3
228.13177	1.4
237.10237	1.1
238.11122	0.9
239.08214	1.7
239.11897	10.8
240.04138	1.1
240.10219	1.6
240.12396	0.7
241.09787	2.9
251.11888	1.4
252.08934	0.6
253.06152	2.0
253.09808	2.0
254.06920	0.6
255.07777	0.9
255.11441	2.5
265.09787	1.4
266.07266	0.5
266.10651	0.5
267.07877	3.2
267.11371	2.1
268.08380	2.8
271.10696	0.8
279.07803	0.9
279.11310	0.9
280.08490	2.8
281.09091	1.8
281.12201	0.5
282.09857	0.8
283.10895	30.4
284.11313	3.4
287.10370	1.3
293.09213	0.7
295.10889	10.5
296.11063	0.9
297.12299	0.7
298.08450	0.6
299.10349	0.7
307.10849	1.2
309.08795	1.6
309.12134	0.9
312.11127	1.9
313.10974	3.4
314.11841	0.7
315.13525	2.2
323.10486	1.2
327.10181	0.8
327.13531	1.6
333.19345	0.5
339.09915	0.8
341.11295	2.2
355.12964	1.4
359.28192	0.5
361.29700	4.2
362.29950	8.3
402.18454	0.5
418.17770	0.6
420.19550	2.7
430.18076	0.8
446.17273	0.7
448.18860	9.1
449.19092	0.9
456.15479	0.8
464.18469	1.3
474.16547	0.8
477.19354	0.8
480.21683	1.1
488.22437	0.7
492.17816	14.2
493.17993	3.1
496.20850	1.4
506.19263	1.7
507.19971	0.6
523.34808	9.8
524.19788	100.0
524.35089	61.0
525.23016	36.6
525.34961	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	524.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
61.50011	0.1
61.98833	100.0
62.81653	0.1
62.98536	0.2
69.48029	1.2
69.62630	0.1
71.01379	0.4
89.02459	0.3
90.02750	0.1
93.03487	0.3
97.30283	0.1
101.02475	0.2
108.02196	0.3
109.02969	0.2
132.62175	0.1
137.02490	0.5
150.06885	0.5
151.07303	0.1
152.01237	0.4
153.02002	0.2
167.10829	0.4
168.11163	0.2
169.01457	0.2
169.11377	0.1
179.10820	0.3
190.40195	0.1
203.86021	0.1
206.45978	0.1
233.67212	0.1
264.47757	0.2
274.48468	0.1
397.27478	0.1
476.40109	0.1
523.33167	0.5
524.22614	1.0
524.33374	2.1
525.19464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33679	0.4
51.87764	0.5
54.09446	0.5
55.01884	1.9
57.03456	3.0
58.00597	1.2
59.01382	28.6
60.01723	2.3
61.98836	15.2
69.03465	0.8
69.64307	3.9
71.01389	29.9
71.37386	0.5
72.01729	3.3
72.99313	2.4
73.02956	6.2
74.03310	0.7
74.83759	0.5
75.00878	0.8
83.01399	3.2
84.01731	0.6
85.02963	11.5
86.03296	1.5
87.00880	1.0
87.04520	0.5
88.98821	1.2
89.02457	13.2
90.02802	1.5
93.03455	0.7
94.06644	3.9
95.01401	3.4
97.02981	1.1
98.20613	1.0
99.00901	1.2
101.02460	18.1
102.02788	2.1
102.03407	0.5
105.11947	0.5
106.06662	1.5
107.01405	1.5
107.03784	6.3
107.04964	0.5
108.02121	0.7
108.04564	1.3
109.02971	0.6
110.74418	0.4
111.00873	2.3
112.01303	0.7
112.30494	0.5
113.02468	9.8
114.02805	1.8
119.03516	5.0
120.03866	0.8
120.04635	0.9
121.02969	0.8
121.05366	0.7
122.06139	27.2
123.00913	5.0
123.04508	0.6
123.06454	0.9
124.01729	1.1
124.07710	2.9
125.02453	6.4
132.04553	4.0
134.06151	6.5
135.04550	1.9
136.07631	0.6
137.02490	1.1
138.05641	0.5
139.00409	1.8
139.02773	1.3
139.03999	0.5
140.01172	1.3
141.01964	0.8
143.03540	0.9
148.07758	0.5
149.04706	0.5
150.05637	1.1
151.00386	4.3
151.04050	1.0
151.06148	2.2
152.07211	50.1
153.01926	0.6
153.05632	0.5
153.07556	2.5
158.02415	1.0
159.03026	1.3
160.04118	2.3
161.04572	2.9
162.05693	1.0
163.04018	0.6
165.05623	1.0
165.12842	1.2
166.05075	0.9
166.06389	1.1
166.13245	0.7
168.00688	1.3
168.14896	0.7
169.01451	9.7
171.13971	1.1
172.04051	1.3
174.01872	0.6
176.03548	2.5
176.07207	0.9
181.05092	0.6
183.13939	8.7
184.14267	6.7
190.05142	4.8
191.05765	0.6
192.06633	0.6
197.15486	2.9
198.15865	2.8
199.08713	0.7
211.02498	0.6
211.12440	0.9
212.10941	0.9
215.11861	3.3
219.94237	0.5
223.08826	1.7
224.09381	2.3
225.10092	0.7
227.08205	1.2
227.12941	2.3
228.13177	1.4
237.10237	1.1
238.11122	0.9
239.08214	1.7
239.11897	10.8
240.04138	1.1
240.10219	1.6
240.12396	0.7
241.09787	2.9
251.11888	1.4
252.08934	0.6
253.06152	2.0
253.09808	2.0
254.06920	0.6
255.07777	0.9
255.11441	2.5
265.09787	1.4
266.07266	0.5
266.10651	0.5
267.07877	3.2
267.11371	2.1
268.08380	2.8
271.10696	0.8
279.07803	0.9
279.11310	0.9
280.08490	2.8
281.09091	1.8
281.12201	0.5
282.09857	0.8
283.10895	30.4
284.11313	3.4
287.10370	1.3
293.09213	0.7
295.10889	10.5
296.11063	0.9
297.12299	0.7
298.08450	0.6
299.10349	0.7
307.10849	1.2
309.08795	1.6
309.12134	0.9
312.11127	1.9
313.10974	3.4
314.11841	0.7
315.13525	2.2
323.10486	1.2
327.10181	0.8
327.13531	1.6
333.19345	0.5
339.09915	0.8
341.11295	2.2
355.12964	1.4
359.28192	0.5
361.29700	4.2
362.29950	8.3
402.18454	0.5
418.17770	0.6
420.19550	2.7
430.18076	0.8
446.17273	0.7
448.18860	9.1
449.19092	0.9
456.15479	0.8
464.18469	1.3
474.16547	0.8
477.19354	0.8
480.21683	1.1
488.22437	0.7
492.17816	14.2
493.17993	3.1
496.20850	1.4
506.19263	1.7
507.19971	0.6
523.34808	9.8
524.19788	100.0
524.35089	61.0
525.23016	36.6
525.34961	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3639
Annotation	Concentricol B
Peak:m/z	Relative Intensity
57.03445	0.7
59.01375	2.4
61.98831	12.3
69.03474	0.4
69.55878	2.5
69.56289	0.8
71.05042	1.7
77.01048	0.3
81.03474	1.0
85.06584	2.0
87.04520	0.4
93.73571	0.3
93.80160	0.3
96.95994	0.6
97.06604	0.7
98.03787	0.4
98.19888	0.5
99.04546	0.7
99.08170	0.4
106.18023	0.4
114.23781	0.4
125.09798	0.5
135.04562	0.4
143.10765	0.5
149.02437	1.2
164.04805	2.7
179.07140	1.7
223.13412	0.3
272.89105	0.4
279.80957	0.4
289.25323	0.6
291.27011	0.4
333.31509	0.9
343.15625	0.5
343.30157	0.7
361.27386	0.7
361.31186	3.4
363.25320	0.6
396.12207	0.4
405.30090	25.2
406.30338	3.9
417.33429	0.6
435.31024	1.7
447.31155	0.8
449.32199	0.4
491.33929	1.1
505.35544	2.7
523.36444	100.0
524.36823	18.5
535.43549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26933	0.3
57.03436	0.6
59.01377	3.8
61.98832	10.8
67.01881	0.6
69.03461	0.5
69.54229	1.3
69.54655	2.3
70.94324	0.3
71.01390	5.2
72.99297	1.1
73.02945	1.1
75.00906	0.5
75.89221	0.3
76.92416	0.4
79.01888	0.7
81.03478	0.5
83.01383	0.6
85.02960	2.2
86.02502	0.4
87.00871	0.7
88.98827	0.5
89.02459	1.1
93.03476	0.7
95.01400	2.7
99.00871	0.8
101.02451	2.4
104.53098	0.4
107.01430	2.5
109.02976	1.1
111.00900	1.1
113.02444	2.1
116.92867	1.2
117.92934	0.5
119.03587	0.4
121.02982	1.0
123.00080	0.8
123.00912	11.4
124.01711	0.7
125.02466	19.9
126.02769	0.6
136.98859	0.7
137.02483	0.8
138.05592	0.5
139.00424	2.4
139.04092	0.8
140.01160	1.5
141.01958	1.8
143.03546	0.5
147.06656	6.3
149.02446	0.5
150.99156	0.5
151.00389	9.1
151.03990	0.7
152.07205	0.7
153.02002	0.6
154.99835	0.5
161.04591	0.9
163.00267	0.4
163.04047	1.1
165.01997	0.5
165.05598	0.6
166.02744	1.0
166.99838	0.9
167.03511	1.4
168.00630	2.7
169.01447	25.8
170.01726	0.7
175.03969	0.5
177.02002	1.0
178.02745	0.5
179.03558	0.7
179.05560	0.4
181.05095	0.9
191.03552	0.8
191.05544	0.5
193.01414	0.4
193.05089	0.5
202.02457	0.4
211.02443	1.6
211.06152	0.6
215.29347	0.4
223.02364	0.5
233.00755	0.5
249.03862	0.7
253.03557	0.6
265.49908	0.4
271.04584	2.7
275.01932	1.6
276.02295	0.7
298.98477	0.5
300.99890	2.9
302.00201	1.1
313.05655	5.2
331.06674	0.7
461.13000	100.0
462.13336	9.5
466.02911	0.5
495.11496	0.8
501.57278	0.9
507.11084	2.4
514.55878	0.7
523.55878	1.1
524.10687	0.4
524.15173	0.7
525.12653	4.9
525.19867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
57.03451	3.5
58.00597	1.8
59.01379	29.0
60.01712	0.5
60.99307	0.3
61.01823	0.2
61.98831	4.5
68.99808	0.3
69.03465	0.6
69.46144	0.4
69.46553	1.6
70.91188	0.2
71.01386	34.2
71.05016	0.3
72.01727	0.6
72.99316	2.1
73.02953	7.5
74.03295	0.3
75.00887	0.5
83.01399	4.3
83.05018	0.2
85.02959	13.4
86.00127	0.2
86.03286	0.4
87.00879	1.7
87.04533	0.7
88.98809	1.0
89.02453	13.5
90.02771	0.2
93.03471	0.4
94.06650	0.4
95.01404	3.0
96.01740	0.2
97.02973	0.7
97.06618	0.4
99.00893	3.5
99.04563	0.2
101.02455	20.7
101.50904	0.2
102.02788	0.6
107.01421	0.2
107.03780	0.5
108.04556	0.3
109.06614	0.2
111.00896	2.0
113.02467	12.8
113.09707	0.3
114.02798	0.4
119.03519	4.7
120.99708	0.3
122.06129	2.4
123.00894	1.2
123.04538	0.2
123.08166	0.6
124.01569	0.1
125.02470	2.4
125.09669	0.2
127.11313	0.5
129.01997	0.7
131.03508	0.6
132.04565	0.4
134.06136	0.7
135.04507	0.2
135.08147	0.2
136.01653	0.3
137.02477	0.6
139.00371	0.5
139.11320	0.2
140.01181	0.2
141.02029	0.3
141.09271	0.2
143.03511	0.9
143.10802	0.3
149.04581	0.4
151.00381	0.6
151.03996	0.6
151.06094	0.3
152.07198	5.5
153.00180	0.3
153.02058	0.2
153.09212	0.4
157.12300	0.6
159.03011	1.8
161.04576	4.4
163.03949	0.3
165.05557	0.3
165.12920	0.2
167.07190	0.5
168.00687	0.5
169.01451	1.4
169.06667	0.2
169.12340	0.4
171.13962	1.3
173.11835	0.2
179.05562	0.9
183.13905	1.8
187.13405	0.4
190.05090	0.4
191.05603	0.2
197.15517	0.4
199.13374	0.4
201.14993	1.2
205.03429	0.2
209.11781	0.2
211.02423	0.3
211.12491	0.2
215.12053	0.2
217.14453	0.6
223.08946	0.2
227.12910	0.6
239.11885	1.4
267.07584	0.3
267.11295	0.3
268.04074	0.2
268.08392	0.3
271.04599	0.2
280.08456	0.5
281.09317	0.3
283.06445	0.4
283.07559	0.3
283.10880	3.3
293.08810	0.2
295.10776	1.1
307.11005	0.3
313.13242	1.0
314.12793	0.2
315.13409	0.3
315.25461	0.6
341.11203	0.2
341.26935	0.2
359.28018	1.3
361.29602	16.8
362.29883	1.8
391.23300	0.2
420.19492	0.2
430.17621	0.2
448.19101	1.2
480.18042	0.5
487.21750	0.3
487.28647	0.3
492.17703	1.8
496.20999	0.2
505.33701	0.2
523.23352	5.9
523.34814	100.0
524.20349	11.8
524.35156	16.6
524.41461	0.1
524.51941	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.8
57.03450	9.1
57.88164	0.2
58.00603	2.2
59.01381	37.8
60.01708	0.7
61.98833	6.8
67.01888	0.5
68.99823	0.3
69.03466	1.6
71.01386	72.0
71.05013	0.5
72.01381	0.2
72.01729	1.4
72.99309	3.3
73.02951	20.4
75.00871	2.0
81.03468	0.6
83.01398	11.0
84.01711	0.3
84.02177	0.6
85.02959	31.2
85.06522	0.2
86.00102	0.3
86.03317	0.8
87.00884	3.9
87.04526	1.8
88.98832	0.5
89.02454	19.3
90.02790	0.5
93.03477	0.7
95.01400	6.0
95.01984	0.4
97.02972	1.8
97.06599	0.9
97.32157	0.2
99.00893	7.3
99.08164	0.4
101.02457	51.0
102.02793	1.1
103.04006	0.2
103.33363	0.2
107.01408	0.6
108.02220	0.5
109.02980	0.5
109.06646	0.4
111.00896	1.4
111.08154	0.5
113.02464	27.1
113.09747	1.0
114.02817	0.8
114.49561	0.3
119.03518	8.0
120.03828	0.3
121.03004	0.3
123.00916	1.6
123.04536	0.9
123.08170	1.6
124.01737	0.3
125.02477	3.8
125.09705	0.5
127.07660	0.3
127.11292	1.7
129.01988	1.1
129.09206	0.3
131.03494	1.4
135.04497	0.5
135.08072	0.5
137.02519	1.1
137.09731	0.7
138.03267	1.5
139.00374	1.0
139.11307	0.5
140.01134	0.2
141.01926	0.3
141.09232	1.0
143.03522	4.1
143.10756	0.8
149.04575	0.8
149.09760	0.3
151.00406	1.2
151.04031	3.5
151.11296	0.3
152.01108	0.3
152.04292	0.2
153.01938	0.4
153.05629	1.1
153.09258	1.5
155.10757	0.5
157.12416	0.6
159.03012	5.0
161.04573	20.9
162.04909	0.7
164.04829	1.4
165.05560	1.3
168.00644	0.8
169.01428	3.0
169.12335	1.1
170.01805	0.4
171.13934	4.4
173.11855	1.0
179.05649	5.1
179.07159	0.5
180.04286	0.3
180.05869	0.3
181.12289	0.4
182.05841	1.1
183.06638	2.0
183.13969	0.4
187.13434	3.0
195.06586	0.3
197.08209	0.7
199.13374	1.0
200.14204	1.1
201.14966	5.2
205.03539	0.7
211.02344	0.3
211.06119	2.3
215.16533	0.3
217.14500	1.8
224.06873	0.2
225.07672	0.7
225.18062	0.2
229.18375	0.3
229.79491	0.3
267.06522	0.2
271.22809	0.2
273.20535	0.4
277.21655	0.7
313.27451	0.4
315.25388	2.0
328.11655	7.1
329.11893	0.6
341.26834	0.3
343.13995	24.0
343.28406	0.7
344.14423	2.6
359.28046	5.6
360.28305	0.9
361.29593	86.0
362.29950	10.9
460.19138	0.3
523.21771	9.3
523.34796	100.0
524.21954	1.7
524.35168	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	523.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76343	0.4
55.01859	0.6
57.03451	0.9
58.00591	1.0
59.01379	35.2
61.98833	9.7
67.01888	1.1
68.93041	0.4
68.99809	0.4
69.03452	1.4
69.47372	0.5
69.47661	4.7
71.01386	23.7
72.99323	1.3
73.02953	3.1
79.01888	0.7
81.03489	1.0
83.01398	1.6
85.02964	4.7
87.00880	1.0
89.02455	29.1
89.88987	0.4
90.54077	0.5
93.03466	0.9
95.01401	1.7
97.02953	1.8
99.00890	2.1
101.02460	11.8
103.44762	0.5
104.81277	0.5
107.01413	1.6
108.02171	1.2
109.02965	0.8
109.06615	0.4
111.00880	1.1
113.02468	6.0
119.03512	1.4
123.00892	6.6
123.04607	0.5
124.01675	0.9
125.02462	19.1
131.03528	16.4
131.04254	0.3
137.02464	0.9
139.00377	2.3
140.01158	1.4
141.01964	1.2
143.03496	1.5
149.04581	13.1
149.05829	0.8
150.06853	0.6
151.00389	5.2
151.11311	0.7
152.01105	0.9
153.01955	1.2
153.05489	0.6
159.62437	0.4
161.04567	1.6
165.05594	1.2
168.00650	2.2
169.01447	10.1
169.12357	100.0
170.12694	4.5
173.04601	2.8
179.10820	0.8
191.05634	6.7
211.02475	1.1
226.93027	0.5
233.06720	0.9
253.14560	0.5
271.04550	0.6
293.08786	15.0
294.09079	0.9
313.05676	0.8
343.17792	0.5
355.18466	1.4
355.68463	0.5
361.29239	0.7
442.21066	0.5
463.21786	5.8
523.21851	58.6
523.33356	3.5
524.22180	6.9
524.34369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.2
56.94957	0.2
57.03454	4.1
58.00595	1.7
59.01380	30.7
60.01709	0.7
61.98830	4.1
67.01897	0.5
67.81047	0.2
68.99837	0.4
69.03466	0.9
69.53177	2.3
71.01387	32.3
72.01733	0.8
72.99320	2.1
73.02952	9.5
74.03291	0.4
74.71800	0.2
75.00876	0.6
83.01399	5.3
84.02203	0.3
85.02957	13.9
86.00108	0.3
86.03349	0.3
87.00894	2.4
87.04512	0.6
88.98834	0.4
89.02454	11.0
90.02807	0.3
93.03513	0.2
95.01397	3.5
97.02996	0.9
98.20557	0.5
99.00887	3.0
100.43072	0.2
101.02457	24.4
102.02795	0.6
102.41597	0.2
103.04013	0.6
107.01410	1.7
109.02974	0.5
111.00909	2.3
111.08189	0.4
113.02464	11.9
113.09701	0.4
119.03519	5.1
120.99652	0.3
123.00904	6.1
123.08189	0.6
124.01733	0.4
125.02467	8.3
126.02824	0.2
127.00425	0.4
127.11325	0.4
129.01970	0.7
131.03542	0.8
134.03738	1.1
135.04233	0.4
136.98869	0.7
137.02463	0.3
137.06207	0.3
139.00380	1.7
140.01192	1.7
141.01994	0.9
143.03519	1.3
143.10880	0.3
145.03006	0.3
145.95634	0.2
146.03763	4.4
146.04836	0.4
147.04080	2.4
148.04311	0.7
149.06096	1.2
149.99614	0.3
150.06471	0.7
151.00400	4.2
151.01524	0.3
151.03998	0.3
151.06630	0.2
152.00826	0.3
153.01999	0.5
153.09271	0.4
155.10840	0.5
157.12402	0.9
159.03026	1.8
161.04617	5.7
161.06131	1.4
162.03284	0.5
162.06516	0.8
163.03975	0.6
163.06346	1.0
164.04834	3.0
164.06212	0.4
165.05168	1.6
166.05415	1.0
168.00652	1.8
169.01437	8.2
169.12447	0.3
170.01826	0.5
171.13960	0.9
173.11885	0.3
177.05592	1.2
178.05968	0.8
179.05708	1.6
179.07219	8.4
180.07494	5.6
181.05200	0.3
181.07666	2.9
182.08423	0.3
183.13878	0.3
187.11948	0.3
187.13377	1.2
195.06717	0.3
199.13518	0.5
201.14983	1.3
211.02492	0.6
271.04669	0.4
313.05606	0.4
315.25534	0.6
329.12283	0.2
330.12238	0.3
345.14694	0.3
359.28006	1.7
360.28442	0.3
361.29578	21.6
362.30078	2.2
442.21503	0.4
505.19727	0.8
523.22241	41.6
523.34753	100.0
524.22485	6.4
524.35107	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63365	0.8
55.01871	4.0
57.03436	2.3
58.00618	1.0
59.01383	100.0
60.01702	1.1
61.98832	2.7
64.36163	1.0
68.99798	1.3
69.62760	1.6
69.63174	5.7
71.01387	55.1
72.99304	2.2
73.02957	17.2
74.46687	0.8
75.00870	1.6
75.56750	0.8
81.06618	0.9
83.01406	9.1
85.02959	27.1
87.00878	3.4
88.98809	1.3
89.02464	13.1
95.01415	5.1
97.02962	2.5
99.00898	7.0
101.02462	39.0
108.02168	1.2
109.02987	4.3
110.35618	0.8
111.00900	1.0
113.02469	24.4
119.03524	3.0
121.02965	10.4
122.03773	8.3
123.04453	1.4
124.01691	2.0
125.02444	2.3
131.03523	52.9
132.03807	1.3
135.04527	1.7
135.06648	1.8
136.05339	0.9
137.02460	2.0
139.11305	2.9
143.03564	1.9
145.02965	1.5
147.04527	5.6
149.04584	1.8
152.39745	0.9
159.02986	4.1
161.04593	22.2
161.06020	2.5
165.05588	20.0
166.05911	1.2
175.07677	1.2
179.05603	1.4
179.07072	7.1
181.12321	1.5
183.10281	3.7
191.07101	1.3
192.40752	0.9
209.11801	1.6
225.11368	0.9
231.39490	0.9
279.10944	1.4
297.11884	1.5
313.14386	1.8
315.12250	1.7
328.13168	2.2
331.17651	71.8
332.17990	6.7
343.15530	4.9
346.14175	8.9
347.15247	1.9
361.16574	70.4
362.16925	7.9
373.51807	1.1
416.68106	1.0
463.21866	33.8
463.28378	1.9
464.22137	4.8
505.22916	1.1
523.21924	94.5
524.22205	16.7
542.18890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
57.03439	2.9
59.01082	2.3
59.01382	43.2
69.43176	2.5
69.43582	8.5
71.01389	43.7
73.02956	15.5
75.68967	1.0
83.01411	6.7
85.02962	21.0
87.00893	1.5
89.02464	11.3
95.01405	2.7
97.02971	1.2
99.00907	6.5
100.12261	1.1
101.02463	37.5
113.02470	23.8
116.91808	1.0
119.03477	1.1
119.81938	0.9
122.81349	1.0
125.02430	2.6
129.02003	1.3
131.03522	16.4
133.77072	1.2
137.02426	1.7
139.11356	1.2
143.03488	2.2
149.04565	2.4
159.02979	4.1
161.04584	28.5
163.04117	1.5
179.05600	1.0
181.05081	1.2
183.10310	5.7
184.10733	0.9
191.05608	1.6
193.05086	1.2
227.12842	1.3
234.76935	1.2
253.09103	1.1
253.75363	0.9
266.30966	1.0
287.19516	1.0
297.11896	2.4
331.17627	100.0
332.18109	6.6
405.65060	1.1
447.53854	1.2
463.21851	48.3
464.22208	5.9
465.52618	1.2
489.04346	1.1
523.21509	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03441	2.0
58.00599	0.8
59.01380	33.9
61.98830	1.2
69.03442	0.9
69.39293	3.1
69.39718	2.9
71.01388	13.1
72.99318	0.6
73.02950	5.7
76.45468	0.6
83.01394	1.5
85.02943	6.3
87.00895	0.6
87.04541	1.3
89.02457	6.5
90.56314	0.5
95.01392	1.0
96.60757	0.5
99.00903	1.8
101.02449	13.2
113.02458	5.5
117.05621	1.7
119.03503	1.9
120.99663	0.9
125.02481	0.9
131.03516	2.5
135.06635	4.0
137.02448	0.6
137.09731	0.7
139.11310	27.2
140.11674	1.3
149.04596	1.5
159.02965	0.9
161.04594	6.3
165.09265	0.9
169.01419	0.9
169.12308	0.9
170.93243	0.6
179.10808	0.9
181.12363	6.8
183.10278	31.3
184.10649	1.8
211.02444	0.8
211.06023	0.7
225.11316	8.1
239.09538	0.6
243.12383	2.7
263.12573	0.6
271.04697	1.0
279.10760	1.5
295.37494	0.5
297.11945	1.4
331.17621	17.3
332.18170	1.1
463.21820	11.7
463.28311	0.6
464.22116	1.8
502.07745	0.6
505.22928	3.3
523.23969	100.0
524.24335	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03454	2.6
58.00593	1.5
59.01381	34.6
60.01718	0.4
61.98830	2.6
63.92103	0.3
69.03452	0.6
69.38165	0.4
71.01387	31.0
71.05032	0.3
71.76302	0.5
72.01711	0.7
72.99303	1.5
73.02952	6.6
75.00867	0.5
83.01401	3.0
83.05038	0.3
85.02959	9.7
87.00871	2.3
87.04492	0.3
88.98818	0.6
89.02453	19.5
95.01402	2.6
97.02959	0.9
97.06615	0.4
99.00900	2.1
101.02453	18.4
102.02769	0.4
107.03729	0.3
111.00898	1.3
111.08160	1.2
113.02465	11.1
114.02795	0.4
115.03991	0.5
116.13904	0.2
117.01984	0.3
119.03516	6.7
120.03738	0.3
122.06148	2.6
123.00861	0.6
123.08195	0.4
124.07684	0.4
125.02477	1.6
131.03535	0.8
133.05115	2.3
134.06163	0.5
137.02440	0.7
137.09735	0.4
143.03494	1.0
149.04599	0.7
151.00383	0.3
151.04132	0.6
151.06139	12.1
152.07236	4.7
153.01949	0.6
159.02972	0.9
161.04579	2.5
165.11537	0.5
165.12871	9.0
166.13147	0.5
167.10742	0.5
167.14433	1.1
169.01395	1.0
171.13861	0.4
175.06146	0.9
179.03775	0.3
179.05620	1.7
179.14490	0.5
183.13914	45.5
184.14227	1.8
187.13434	0.6
190.05118	0.4
195.13925	1.0
197.15482	18.9
198.15936	0.6
201.15018	0.5
207.13879	1.7
209.11830	1.3
211.02472	0.3
215.11861	0.4
224.09489	0.4
225.14964	2.6
227.12907	9.4
228.13266	0.3
239.11865	1.2
241.14442	0.5
249.41628	0.3
251.12842	0.4
253.09781	0.3
265.09784	0.3
267.07654	0.5
269.13943	0.8
280.08463	0.4
283.06424	0.3
283.10916	3.5
295.10645	2.5
313.11356	6.6
314.11728	0.3
315.13443	0.4
315.25519	0.5
359.28052	0.9
361.29605	7.1
362.29794	0.3
420.19550	0.6
448.18771	1.2
487.29071	0.8
492.17789	1.6
505.23108	0.7
522.34161	0.7
523.23883	100.0
523.34784	41.4
524.20496	10.6
524.35309	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	523.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91680	0.3
55.01886	0.6
58.00587	0.4
59.01382	9.5
61.98827	2.1
68.06344	0.4
69.03466	1.3
71.01387	5.3
72.99323	0.8
73.02948	4.1
75.00892	0.4
83.01392	0.9
85.02961	4.6
87.00891	1.1
87.04551	0.4
88.98853	0.6
89.02461	1.5
93.03484	1.2
95.01407	0.4
95.05059	0.6
98.19852	1.1
98.50784	0.3
99.00887	0.6
99.04542	0.4
101.02464	2.2
108.02207	0.9
109.02962	0.6
111.60223	0.3
113.02485	0.9
121.02984	4.4
122.03764	3.9
123.04546	1.2
132.02159	2.4
133.02979	19.0
134.03802	2.2
135.04562	1.8
136.01669	0.5
137.02480	0.6
137.06099	0.9
139.11275	0.9
147.04572	1.6
148.01662	0.3
149.02461	40.7
149.06067	2.7
150.03249	33.7
151.03647	1.3
153.05655	0.3
161.02542	0.6
161.04555	0.7
162.03265	0.8
163.04066	0.6
164.03445	0.5
164.04813	8.9
165.05589	27.2
166.06331	4.7
167.07184	2.5
173.25465	0.3
177.05553	0.3
180.04271	1.5
181.05110	1.6
181.08748	6.5
181.12389	0.4
182.09061	0.4
183.10307	1.3
195.06641	11.6
196.07034	0.4
209.11800	2.1
227.12827	0.7
253.09096	0.5
270.08942	0.8
283.09683	0.8
297.11844	0.7
312.12213	0.9
313.12924	1.2
314.11639	5.3
315.12354	2.7
327.14490	16.4
328.14749	1.0
329.13956	9.5
329.17908	0.4
330.14175	0.9
331.17706	1.7
341.08762	1.5
343.15546	0.6
381.15485	0.4
449.19974	0.4
458.30826	0.4
460.17154	0.7
463.21851	3.9
475.19720	100.0
476.20010	11.7
487.19818	0.7
505.21759	0.7
523.13916	0.6
523.22101	10.8
524.22498	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76030	0.4
55.01893	0.6
55.82030	0.4
57.03444	1.4
59.01379	36.2
60.01691	0.6
61.98829	1.4
69.03429	0.5
69.77998	3.2
71.01385	9.4
73.02953	4.2
81.03445	0.7
83.01401	0.9
83.05018	0.5
85.02951	3.4
87.00858	0.8
87.04528	0.8
89.02447	6.1
89.83865	0.5
95.01376	0.5
97.02987	0.6
99.00867	0.7
101.02448	7.0
103.04012	1.1
111.08116	0.6
113.02438	3.9
117.05604	0.6
119.03529	1.9
120.99641	3.4
121.03024	0.5
125.02438	1.1
135.06657	5.2
137.02446	0.8
137.09720	0.5
139.11305	26.5
140.11592	1.1
143.03519	0.9
155.10750	0.5
161.04559	1.9
162.03271	4.5
163.11380	0.7
166.06364	0.6
169.12337	1.2
177.05595	5.1
179.10776	0.6
181.05109	0.5
181.12355	6.8
183.10278	27.1
184.10611	1.7
195.13786	0.6
197.11861	1.1
199.13324	0.7
209.11790	1.5
225.11310	10.2
225.14812	0.8
227.07559	0.5
227.12837	2.9
243.12419	2.9
253.09227	2.3
254.81076	0.5
267.12268	0.7
277.96164	0.5
279.10931	1.9
285.13391	0.8
297.11902	1.8
331.17441	1.4
456.52551	0.4
460.66757	0.6
463.21780	5.1
464.22144	0.7
486.35889	0.5
505.23087	3.7
506.23065	0.5
523.23932	100.0
524.24298	16.0
524.32361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	22.2
61.98830	33.6
67.01872	1.8
68.99841	1.4
69.03465	2.6
69.86549	5.1
69.86970	1.3
71.01389	18.2
72.99314	5.0
73.02950	4.6
75.00889	3.3
81.03493	1.8
83.01389	3.3
85.02946	5.7
87.00888	3.2
88.98815	1.7
89.02446	10.4
93.03470	3.3
95.01398	4.9
96.96017	2.3
96.96984	1.6
97.02978	1.6
99.00906	2.0
101.02444	10.6
104.05075	1.3
107.01397	9.0
107.05054	1.2
108.36488	1.0
109.02957	4.5
109.33195	1.1
110.03365	1.0
111.00905	5.9
113.02419	6.2
116.92909	1.8
117.03469	2.5
119.03510	2.8
119.05024	4.3
120.01276	12.7
120.99651	3.6
121.01634	2.5
121.02981	1.5
122.00859	2.2
122.06106	5.2
123.00896	14.0
123.04521	1.9
124.01700	8.2
125.02464	65.3
126.02843	3.1
127.00352	1.4
131.03522	2.7
133.02971	1.9
135.04524	3.5
136.98802	2.8
137.02458	6.3
139.00381	5.0
139.04050	2.1
140.01178	4.7
144.04610	1.4
145.02989	6.2
145.05257	1.5
147.00929	1.3
147.04512	4.1
148.04062	6.0
149.02440	2.9
149.04544	1.4
149.99602	3.4
151.00386	8.6
151.04013	4.4
153.02014	1.6
157.02968	2.2
159.04538	1.8
160.04018	7.2
160.72363	1.2
161.02466	7.0
161.04698	4.5
161.05969	1.3
163.00385	3.4
163.04037	4.4
164.04651	1.2
165.01906	4.4
165.05557	2.1
166.05096	8.0
166.99879	1.7
167.03543	1.8
168.00655	14.8
169.01445	74.2
170.01855	2.5
173.02443	4.1
173.04617	2.2
175.04033	4.2
176.04752	2.5
177.01915	4.3
178.48587	1.2
179.03513	8.6
179.05692	1.2
179.07088	1.5
180.04231	1.9
181.01404	1.5
181.05121	2.1
183.02997	4.1
185.02438	3.7
187.03955	1.2
189.01921	3.9
189.04335	12.2
190.02731	2.9
190.05006	1.4
190.99873	2.0
191.03462	4.8
191.05548	3.0
191.07097	1.8
193.01370	6.1
193.03571	1.5
194.05815	5.7
195.06648	2.9
199.00549	1.3
200.01164	1.2
201.01952	7.9
203.03482	6.1
203.05807	2.0
205.01495	2.6
207.02969	1.6
207.08199	1.2
209.08200	4.0
210.04066	3.4
211.02461	3.7
213.01920	2.3
214.02699	1.9
216.00716	1.4
217.01361	4.1
218.02034	1.8
219.02905	2.7
221.03162	1.8
221.06876	2.0
227.03148	1.6
228.04018	1.3
229.01416	11.2
230.01833	1.4
231.02913	4.0
237.09212	2.4
242.99471	1.8
243.02831	1.5
243.11266	1.2
244.00133	1.8
245.00827	6.7
247.02451	3.1
248.03296	2.2
249.03998	5.2
253.05658	1.5
253.08641	2.3
255.02983	1.2
257.00949	8.4
257.03339	1.3
258.01584	4.2
259.02472	2.2
261.00189	1.6
263.07120	1.4
267.11310	9.5
272.06967	2.2
273.00311	4.1
273.03799	1.1
274.01175	5.7
275.01956	26.6
276.02295	2.5
281.08374	2.5
283.05801	2.9
283.10028	1.3
283.99603	3.8
287.01959	2.0
287.09189	11.4
291.01547	1.8
295.02426	1.6
295.10632	1.6
297.07397	3.5
297.11890	1.7
299.09253	3.4
299.99197	7.7
300.99896	88.1
302.00159	11.4
303.00946	1.7
310.08536	1.4
311.02206	1.6
311.10410	14.9
312.10394	1.6
313.05640	20.3
313.10657	2.8
315.08713	2.5
325.03522	1.5
325.07132	1.4
325.11749	4.3
327.01474	2.4
327.07733	2.5
327.12680	2.0
331.06696	2.4
331.11786	1.6
331.17627	7.1
340.01910	1.7
343.08325	5.0
343.12888	30.7
344.13055	2.9
346.13489	1.4
357.13885	2.6
358.13797	3.2
359.14813	1.8
361.09015	1.4
361.12585	1.9
361.16107	1.6
371.10471	1.4
401.12692	1.8
402.12793	4.3
405.02502	1.2
415.06595	1.4
421.03748	4.1
433.15158	3.9
435.06610	1.3
461.14304	2.0
463.21927	5.7
465.52423	4.9
466.02802	4.6
479.06799	1.7
483.05594	1.5
491.16489	2.2
492.06342	3.6
492.56345	1.7
493.06891	1.5
493.94958	1.3
501.06815	6.7
501.56897	3.7
505.05591	1.3
514.05756	10.4
514.55219	2.8
523.06122	39.6
523.14453	100.0
523.56415	24.6
524.09363	8.6
524.15497	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	521.3481
Annotation	Lycernuic acid C
Peak:m/z	Relative Intensity
50.66452	0.3
57.03430	0.7
59.01374	3.2
59.98499	0.6
60.73564	0.3
60.99272	0.4
61.98832	8.2
70.24112	0.4
70.24422	1.7
71.04671	0.5
71.05024	6.6
73.02943	2.3
75.00887	0.8
75.32006	0.4
78.95889	0.4
83.05001	1.3
85.02958	4.0
85.06594	10.6
86.06909	0.6
87.04507	0.4
96.96010	0.5
97.06577	1.0
98.19942	0.6
103.55694	0.3
106.04296	0.3
109.06592	1.3
111.08159	0.7
113.21704	0.3
121.06599	9.3
135.08156	0.4
136.01698	0.3
137.09720	2.1
139.11310	3.1
157.08723	1.9
165.75041	0.3
169.08678	0.8
183.10426	0.4
189.12808	0.5
205.15955	0.3
228.11151	0.3
243.13815	0.4
245.15445	3.9
246.15852	0.4
255.15955	0.5
259.17053	3.5
261.18579	36.9
262.18915	3.3
265.18106	1.0
265.21735	0.7
275.16547	1.5
275.20135	2.2
277.21722	44.8
278.22098	4.4
293.17584	0.6
295.22729	3.1
305.17551	2.4
305.20920	0.6
305.24881	0.4
307.22794	0.7
323.22412	0.5
335.29465	0.5
339.21603	1.2
361.27408	0.4
371.25949	0.9
379.28668	1.2
461.29144	0.6
477.36139	0.5
491.20966	0.6
503.20731	0.9
503.33997	1.0
521.34857	100.0
522.35181	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	521.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00919	0.4
57.06349	0.3
59.01378	3.4
59.98523	1.1
61.98831	5.6
71.01393	0.6
71.05026	5.8
71.37595	0.7
72.99276	0.3
73.02961	2.1
75.00883	1.0
78.15230	0.3
78.95957	0.5
79.49390	0.4
83.05039	1.2
85.02960	6.3
85.06602	5.8
87.04540	0.7
96.96019	0.4
97.06610	1.0
111.08179	0.7
116.92867	0.3
123.08166	3.8
137.06084	0.4
149.37904	0.4
150.06859	0.9
155.07155	0.7
157.08704	4.6
162.06863	1.7
169.08722	1.3
184.93602	0.4
189.12907	0.6
196.91428	0.4
205.16037	0.7
209.12111	0.4
245.15546	0.5
251.16542	0.6
255.16054	1.2
259.16974	4.1
261.18576	27.7
262.18906	2.5
265.17950	1.8
277.21732	12.5
277.24719	0.8
278.22116	1.4
279.19733	1.4
293.21350	0.9
295.22797	7.2
296.23276	0.5
305.17667	3.8
305.20914	0.7
306.17996	0.7
307.22836	1.5
321.21011	0.5
323.22388	1.1
335.29761	1.1
339.21802	5.0
343.21454	1.0
346.64212	0.4
379.28598	0.5
459.35394	0.8
485.32874	0.5
503.34616	0.8
521.34961	100.0
522.35303	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	521.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03398	0.6
57.06046	0.3
58.72498	0.3
59.01297	4.0
59.01625	0.5
61.98752	4.2
61.99100	0.5
69.03383	0.4
71.01315	0.4
71.04950	1.0
73.02881	0.3
78.95844	0.6
83.04972	0.7
85.06596	4.2
86.06851	0.3
87.00808	0.3
87.04451	0.4
93.86509	0.2
95.04981	0.3
96.95945	0.5
97.06499	1.2
98.20734	0.6
99.04467	0.5
101.06023	0.4
109.06520	0.4
111.08088	0.9
113.09676	0.6
125.09629	0.5
128.47606	0.4
135.08113	0.4
137.09743	9.7
138.10017	0.6
139.11252	0.6
149.10837	0.3
150.06790	0.3
151.11256	0.4
152.99477	0.8
154.37401	0.3
162.06772	0.5
169.12357	1.3
191.05545	0.3
195.13939	0.3
197.11771	0.5
209.15425	0.3
213.11371	0.6
221.15454	0.6
223.13313	0.4
247.16902	0.3
249.18578	0.3
261.18448	0.5
270.28107	0.3
287.20108	0.5
289.18106	1.2
289.21674	1.5
293.10468	0.3
293.21240	1.9
295.22964	0.6
305.21228	10.2
306.21405	0.8
307.22778	100.0
308.23108	8.6
323.22327	0.9
328.52576	0.3
343.21600	0.4
364.61130	0.4
389.27087	0.6
417.30411	1.0
459.31213	1.2
461.28726	0.6
477.36182	0.7
521.35052	38.8
522.35358	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	523.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03443	1.7
57.04588	0.9
58.00611	1.3
59.01382	29.2
61.98834	27.2
65.00327	1.6
67.01884	1.1
68.99831	1.8
69.03451	1.9
71.01392	23.1
71.73248	1.5
72.99308	6.9
73.02961	5.8
74.50356	0.8
74.99096	1.0
75.00886	3.2
75.63781	0.9
81.03490	1.0
83.01394	3.3
83.05019	0.9
85.02947	7.0
87.00889	4.2
87.04530	1.1
88.98821	2.8
89.02462	13.0
93.03467	4.0
95.01414	6.1
96.96014	2.7
97.02977	2.0
99.00896	3.3
99.04507	1.1
101.02461	14.0
107.01434	5.7
108.02190	1.5
109.02972	9.3
110.03313	1.2
111.00890	6.9
113.02479	8.1
116.92879	2.2
117.03448	2.5
119.03534	2.6
119.05058	7.1
120.01268	10.4
120.99671	3.1
121.01660	1.4
121.02975	3.9
122.06144	7.6
123.00903	15.9
123.04535	3.2
124.01675	3.4
125.02472	41.1
126.02790	1.7
129.02010	0.9
129.03458	1.6
131.03534	4.4
131.05055	1.9
132.04619	1.1
133.02991	2.6
135.04486	4.7
136.01695	1.3
137.02472	7.1
138.09355	1.0
139.00409	3.1
139.04016	1.4
140.01178	3.6
141.01834	1.0
144.04546	1.9
145.02991	6.3
145.05319	3.8
146.03719	1.4
146.06110	2.2
147.04535	4.7
148.04095	1.8
149.02422	2.3
149.04579	2.0
149.06114	2.3
150.03255	2.1
151.00372	3.2
151.04016	4.5
152.01112	1.1
153.01932	2.4
157.02965	2.0
159.03275	1.2
159.04558	2.8
160.04041	9.7
161.02527	5.9
161.04672	5.8
161.05931	1.0
162.03183	1.5
162.05559	1.0
163.00403	3.8
163.04076	8.2
164.01213	1.9
165.01941	3.9
165.05540	2.6
166.05083	1.6
166.99950	1.5
167.03552	1.3
167.07249	1.2
168.00621	5.6
169.01457	44.9
170.01825	1.5
173.02437	6.0
173.06061	2.0
174.03238	1.3
175.00276	1.8
175.02686	1.0
175.03943	5.9
176.01163	1.6
176.03429	1.3
177.01945	3.8
177.05661	1.7
178.02640	1.1
179.03517	4.4
179.05682	1.8
179.07111	1.6
180.04161	0.9
181.05084	5.1
183.02878	2.5
183.06615	1.3
185.02399	5.1
187.00316	1.2
187.03995	2.1
189.01950	4.2
189.04314	18.0
189.05815	1.6
190.02763	2.3
190.04742	1.2
190.99860	2.5
191.01990	1.2
191.03531	6.5
191.05592	3.6
191.07190	1.1
192.00630	2.3
193.01413	7.0
193.03787	1.6
194.05847	2.4
195.06624	3.2
199.00621	2.1
199.03894	0.9
200.01180	1.2
201.01935	6.5
202.02644	1.3
203.03526	6.5
203.05859	3.2
205.01422	2.4
207.02922	1.7
209.00931	1.8
209.04602	3.0
209.08180	2.0
210.04126	1.1
211.02377	1.8
213.01941	2.6
214.02515	1.3
214.99979	1.8
215.03476	1.6
216.00673	2.4
217.01477	5.4
218.02148	1.4
219.02962	3.2
219.08156	1.5
221.03291	3.1
221.06895	3.3
223.06032	1.4
225.02034	1.0
225.05507	1.0
225.09178	1.9
226.99791	1.5
227.03410	1.7
229.01405	13.3
230.02003	3.8
231.02953	6.2
235.02394	1.3
235.07686	1.2
237.00133	1.1
237.09254	3.6
241.05162	2.3
242.02065	1.7
242.05545	2.0
243.02963	1.8
243.11348	2.8
244.00102	1.7
245.00885	6.5
246.01480	1.9
247.02527	3.2
248.03227	1.9
249.03993	7.2
250.04315	1.5
250.63196	1.0
251.03511	1.1
253.08719	3.5
256.03653	1.4
257.00964	9.3
257.03641	1.2
257.04550	0.9
258.01590	3.8
259.02283	1.9
261.00488	1.4
267.11340	13.9
268.07227	1.4
269.08224	2.0
270.98813	1.6
271.09686	1.4
272.06958	1.7
273.00424	5.8
274.01117	6.9
275.01956	29.8
276.02298	2.4
281.08249	3.4
283.02496	1.3
283.10413	1.8
283.99533	2.1
285.00656	1.3
287.01913	1.2
287.09198	10.4
288.02740	1.2
288.09897	1.0
295.10638	1.1
297.07483	2.8
297.12131	1.2
298.07803	1.7
298.98376	1.9
299.09116	4.4
299.99158	9.5
300.02502	1.4
300.09402	1.3
300.99896	100.0
302.00284	10.6
307.02570	1.0
311.07104	1.8
311.10419	24.5
312.10260	2.8
313.00018	2.1
313.05707	10.5
313.10669	4.0
314.00583	2.8
314.11069	2.0
315.08783	3.9
325.03589	1.2
325.07462	1.7
325.11658	5.8
326.00522	1.2
327.01511	1.8
327.07373	1.5
328.09479	1.5
331.17664	11.9
339.01477	1.8
343.08289	6.7
343.12970	44.3
344.08728	1.4
344.12939	5.8
345.13181	5.3
346.13257	3.4
351.01291	1.2
355.00763	1.0
356.13220	1.1
357.13632	4.0
358.13617	2.9
359.14990	7.4
360.15372	14.2
361.09250	1.7
361.15878	9.7
367.00928	1.5
368.01373	1.0
371.07962	2.1
375.16537	1.3
381.02496	1.1
390.22079	1.2
401.12881	2.4
402.13220	2.4
415.06616	3.0
421.04245	5.1
431.14694	2.3
432.14764	3.3
433.15265	3.9
461.06927	1.3
461.13562	3.7
463.21985	7.1
465.52386	9.5
466.02704	2.3
470.06702	3.2
477.14154	2.3
479.06802	2.8
491.16528	2.9
492.06183	6.8
492.56812	1.4
501.06671	13.8
501.57318	5.4
502.06940	1.4
505.13229	1.7
514.05847	11.4
514.56250	5.5
515.06146	1.4
522.26337	1.6
523.06140	52.5
523.14404	57.0
523.27307	3.8
523.49017	2.2
523.56433	26.9
524.06598	3.8
524.15625	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	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28194	0.3
54.13079	0.3
54.31681	0.3
55.01877	3.5
57.03449	4.3
57.03725	0.4
58.00582	1.6
58.31332	0.3
59.01381	100.0
60.01719	0.8
61.98840	1.3
68.99869	0.3
69.03458	0.7
69.71904	1.2
69.72324	1.0
71.01387	46.6
71.05025	0.6
72.01713	0.6
72.99310	2.2
73.02953	12.5
75.00874	0.9
81.03457	0.3
83.00893	0.3
83.01396	6.7
85.02960	22.0
85.06588	0.7
86.00115	0.5
86.03283	0.6
87.00886	2.2
89.02455	17.6
90.02716	0.4
93.07121	2.4
95.00892	0.4
95.01394	4.2
97.02914	1.2
97.06552	0.8
97.24728	0.3
97.86486	0.3
99.00895	4.3
99.04492	1.3
101.02457	34.9
102.02753	0.7
107.01354	0.5
109.02868	0.4
109.06547	0.7
111.00892	2.4
111.08192	0.3
113.02464	17.1
114.02738	0.4
119.03520	5.2
121.06522	0.4
123.00903	2.1
123.04441	1.1
125.02467	6.7
129.01872	0.7
131.03513	1.7
136.98659	0.4
137.02353	0.4
137.33554	0.3
139.00224	0.9
140.01015	0.7
141.01819	0.6
143.03523	1.8
149.04355	1.8
149.05571	0.6
151.00201	0.9
153.05399	1.0
153.12866	1.9
159.02788	2.4
161.04337	7.5
162.04726	0.5
163.11119	0.4
165.01668	0.4
165.12650	0.7
168.00664	2.2
169.01172	9.5
170.01627	0.4
173.05885	0.3
179.05328	1.6
179.06844	0.6
181.12155	0.5
183.10011	0.5
187.03552	0.4
189.12567	0.9
205.04799	0.6
207.10001	0.4
207.13483	1.5
209.11406	2.8
211.02043	12.0
212.02481	0.5
220.06923	0.4
225.11029	0.3
225.14453	4.5
227.12384	17.6
227.14859	1.7
227.16077	0.7
228.12654	1.0
229.17563	9.9
229.20015	0.9
230.17984	0.7
235.09314	0.5
241.56496	0.3
248.25783	0.3
251.10715	3.2
269.13254	1.3
271.03839	14.3
271.07056	1.8
272.04340	0.8
279.10233	0.4
287.14417	0.6
293.11664	0.9
299.25372	0.4
311.08478	0.5
326.10712	0.4
331.05621	1.8
341.09396	0.7
341.13089	0.7
359.26761	12.8
359.31711	2.1
360.27118	1.5
367.09384	0.6
371.13638	3.0
371.18692	0.6
372.14499	0.4
391.21869	2.3
392.22498	0.3
458.15753	0.4
483.17337	0.6
485.28976	0.4
491.30487	0.6
503.22617	4.6
503.30624	1.5
504.23373	0.6
504.29895	0.4
521.17572	11.9
521.23962	48.5
521.31061	81.0
522.17584	2.1
522.24335	7.6
522.31390	13.5
522.39722	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	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44793	0.3
55.01880	3.0
57.03452	3.4
58.00587	1.1
59.01379	27.5
60.01702	0.4
61.98818	2.2
67.85506	0.4
69.03455	0.8
69.41386	1.2
69.41813	3.0
71.01386	40.0
72.01705	0.7
72.99282	1.2
73.02954	12.0
75.00867	0.6
75.69797	0.4
79.05553	0.4
83.01400	5.7
83.04989	0.4
85.02960	19.6
85.06620	0.4
86.00080	0.4
87.00882	2.2
87.04505	1.2
88.78996	0.4
88.98792	0.5
89.02454	10.8
90.02776	0.4
93.50715	0.4
95.01393	4.0
95.05059	0.7
97.02972	1.0
97.06605	9.2
99.00895	5.2
99.08179	0.5
101.02457	27.4
102.02841	0.6
107.05063	0.4
108.02171	1.4
109.02973	2.6
109.06586	3.0
111.00891	2.6
113.02463	16.4
119.03518	3.6
121.03001	0.5
123.00940	0.4
125.02448	1.7
127.07642	1.6
129.01987	0.9
131.03508	0.7
135.04547	0.4
141.01932	0.5
143.03497	1.6
145.08717	0.5
159.02998	2.8
161.03238	0.5
161.04584	9.8
165.12827	1.1
169.01472	1.2
179.05609	0.9
179.07080	0.8
183.13918	3.1
197.15541	0.4
199.17073	1.9
201.15050	0.5
207.10432	0.4
211.02419	0.5
227.12860	1.3
227.16414	0.5
243.19611	4.8
253.07074	0.7
271.04535	0.4
279.11185	0.4
300.63913	0.4
329.16183	0.5
341.26932	0.5
357.82257	0.4
359.27997	10.1
360.28476	0.8
375.23874	4.4
389.17834	1.0
389.22198	0.9
405.24902	9.1
406.25186	1.3
461.31168	1.5
473.30908	0.5
485.31268	0.6
491.32013	0.8
503.32260	4.6
521.20276	2.6
521.26660	3.9
521.33276	100.0
522.21307	0.7
522.33661	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	521.2601
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
55.01875	2.4
57.03447	2.5
58.00588	1.6
59.01381	30.2
61.98832	48.6
63.64463	0.5
63.96218	0.7
68.99849	1.1
69.03456	1.9
69.37447	2.0
69.37874	4.2
71.01386	30.9
71.05019	0.6
72.99321	5.6
73.02955	9.2
74.99086	0.6
75.00869	0.9
81.03461	1.8
83.01387	4.9
83.05039	0.9
85.02959	13.3
87.00883	3.8
88.98813	1.0
89.02451	18.0
93.03477	0.8
95.01384	4.0
97.02946	2.2
97.06583	0.8
97.64766	0.5
99.00897	4.5
99.04565	0.6
101.02457	18.2
102.97913	0.5
108.02190	43.7
109.02978	31.7
110.03310	1.1
111.00882	1.7
112.01737	0.6
113.02464	9.8
117.97367	2.7
118.64260	0.6
119.03506	3.8
120.99621	0.7
121.02971	1.1
123.00883	2.4
123.04549	8.0
124.01677	1.0
125.02448	5.9
129.01875	0.7
131.03532	4.9
133.02966	0.7
135.04517	1.2
135.98386	1.1
137.02483	0.7
143.03510	2.0
149.04572	5.1
151.00352	0.5
151.04070	1.1
152.01172	39.8
153.01961	20.4
153.05585	10.0
153.78664	0.5
154.02280	0.7
154.05898	0.8
161.04610	3.2
161.09731	1.9
163.03989	1.2
164.04817	26.4
165.02007	0.6
165.05176	1.8
167.10783	13.4
168.00650	1.3
169.01434	1.3
177.01942	7.5
179.05765	1.4
179.07152	27.5
179.10652	2.5
180.07449	1.6
181.15994	1.8
183.13890	1.5
187.11252	1.0
187.13409	0.5
191.05681	1.2
209.15408	0.6
226.92436	2.3
227.16531	13.9
228.16718	0.8
229.18082	0.8
233.06586	0.9
271.04633	0.6
293.08777	6.0
298.03671	1.1
300.99725	0.7
315.07214	5.2
329.19601	1.2
359.15070	3.4
359.28003	7.5
360.28537	0.7
371.20697	4.4
389.21808	27.3
390.22086	3.6
459.16315	0.7
461.22940	0.7
477.17645	17.5
478.18246	2.9
503.15637	3.4
503.24194	0.9
504.16232	0.9
521.16779	36.4
521.25928	100.0
521.33215	32.1
522.17126	6.0
522.26239	14.7
522.33380	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	521.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04709	0.7
55.01875	1.4
57.03446	2.9
59.01381	100.0
60.01716	1.8
61.98839	4.2
71.01385	18.9
71.01755	1.2
72.99329	1.0
73.02954	6.0
83.01414	3.1
85.02966	8.2
87.00893	1.7
88.98805	0.7
89.02461	6.4
93.03426	0.6
95.01412	1.1
97.02975	1.0
97.06635	0.7
98.19902	1.7
99.00905	1.8
99.04529	1.6
101.02463	15.7
101.03080	1.2
109.06626	0.9
109.30507	0.6
113.02467	7.9
119.03543	1.8
120.10596	0.6
123.00981	0.6
125.02504	2.0
131.03542	1.7
131.07123	0.7
131.74022	0.6
137.02463	0.8
140.73206	0.6
143.03566	0.8
159.03018	1.0
161.04614	5.9
165.12898	1.6
165.36565	0.7
167.10855	1.6
169.01456	2.0
172.36966	0.6
179.05661	1.1
189.12880	1.5
197.11926	0.7
207.13914	3.9
209.11861	6.0
210.12309	1.1
211.02415	0.7
225.15036	6.5
227.12894	27.4
228.13324	1.7
233.10216	1.0
251.11230	5.9
269.14053	1.8
293.12540	2.5
325.10840	0.9
341.13904	1.9
359.15152	2.1
359.28195	2.3
364.34116	0.7
371.14963	0.9
377.21802	0.8
389.21829	1.8
391.23694	1.1
422.87845	0.7
459.18939	1.0
503.25220	9.0
503.32236	1.5
504.25320	1.4
521.26062	92.4
521.33173	10.5
522.26410	16.0
522.33557	1.4
539.34125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
55.38128	0.5
57.03454	1.0
59.01380	88.5
60.01706	0.9
63.95641	0.4
67.73178	0.5
70.48323	1.9
70.68127	0.5
71.01385	11.8
73.02949	3.9
83.01391	1.6
85.02948	6.0
87.00920	0.7
89.02473	2.3
95.01387	0.8
97.06527	0.5
99.00900	1.6
99.04530	2.0
101.02454	8.6
109.06607	0.7
109.89718	0.4
113.02465	5.6
125.02441	0.9
143.03500	0.5
159.02972	1.2
159.78348	0.4
161.04581	4.5
165.12932	0.8
189.12827	0.9
207.13908	2.4
209.11842	5.5
211.02554	0.7
225.14970	6.6
227.12901	27.7
228.13272	1.5
251.11270	5.4
269.13998	1.3
271.04626	0.7
287.15082	0.8
293.12415	2.7
359.27954	0.7
473.01956	0.5
503.24985	9.4
504.25348	0.9
521.26038	100.0
521.32581	3.9
522.26379	15.2
522.33148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54169	0.6
55.01865	0.9
55.81842	0.6
57.03450	2.0
58.00571	0.6
59.01379	99.7
60.01713	1.8
61.98825	1.4
70.48143	1.0
70.48542	1.6
71.01385	14.0
73.02959	3.7
78.51965	0.6
80.98351	0.7
83.01402	2.5
85.02949	6.3
87.00876	0.9
87.04547	0.8
87.58692	0.6
89.02459	4.1
95.01400	0.9
97.06570	0.7
99.00896	1.6
99.04539	1.7
101.02461	12.5
113.02470	5.5
119.03568	1.4
125.02482	1.9
127.71561	0.6
130.72253	0.6
130.98242	0.6
159.03041	1.4
161.04588	4.4
165.12865	0.8
169.01451	1.4
172.00504	0.6
176.92587	0.6
189.12906	0.8
207.13925	2.7
209.11877	6.7
225.14955	7.0
226.15240	0.7
227.12895	27.2
228.13174	2.8
251.11217	5.9
269.14032	1.3
287.15237	1.1
293.12445	1.7
308.27417	0.6
359.14966	1.1
359.27991	1.3
389.21832	1.0
503.24942	8.7
504.25351	1.0
521.26074	100.0
521.32703	5.2
522.26337	15.2
522.34003	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	521.2597
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
55.01882	2.9
56.99815	0.3
57.03452	4.1
58.00602	2.4
59.01381	45.4
60.01717	0.4
61.98834	2.1
67.01868	0.3
69.03464	1.3
69.44066	0.9
69.44498	1.2
71.01386	72.8
71.05020	4.0
72.01723	0.7
72.99311	3.2
73.02953	17.4
74.03298	0.4
75.00871	1.5
81.03465	0.6
83.01395	6.5
83.05067	0.3
84.02193	0.3
84.91937	0.2
85.02959	27.3
86.03324	0.5
87.00888	3.7
88.98828	0.4
89.02454	29.4
90.02776	0.5
91.49034	0.2
93.03458	0.4
93.20734	0.2
95.01402	5.5
95.05024	0.5
96.96031	0.3
97.02958	3.1
98.03758	2.0
99.00893	9.1
99.92601	1.1
101.02456	45.0
102.02798	0.9
102.98624	0.4
103.04038	1.0
105.38663	0.2
105.50648	0.2
109.02937	0.5
109.06599	1.8
111.00907	1.2
111.04506	0.3
111.08118	0.3
112.05360	0.3
113.02467	30.3
114.02784	0.9
115.04029	0.5
116.92877	13.1
117.01968	0.3
117.05602	0.2
117.92868	1.5
118.92677	0.4
119.03517	9.0
121.02936	0.2
121.06606	0.2
122.03751	0.3
122.06104	0.3
123.00932	0.2
123.04524	0.4
123.08186	1.2
124.05329	1.2
125.02464	5.1
127.07669	4.7
128.07939	0.3
129.01927	1.3
129.05563	0.5
131.03522	18.6
131.07155	3.2
132.03862	0.4
135.04538	0.3
137.02409	0.4
137.09743	2.4
138.06911	1.3
139.07677	6.7
141.09259	2.5
143.03529	5.9
144.03850	0.3
149.02486	0.3
149.04572	3.6
150.03241	0.7
150.38828	0.2
151.05963	0.3
151.07655	0.2
153.02008	0.3
153.08008	0.4
153.09224	5.8
154.09532	0.4
155.10800	24.2
156.11134	1.0
159.03009	6.0
161.04576	44.4
162.04906	1.5
164.06937	0.2
165.01962	2.1
165.05566	1.1
165.12906	0.2
169.01418	1.0
169.33295	0.2
174.05473	0.3
177.01889	1.0
179.05626	7.3
180.04317	5.1
180.05833	0.3
191.05640	1.8
192.04257	1.5
195.06642	10.5
196.06927	0.5
199.09712	0.3
204.06700	0.3
205.03529	1.1
207.06648	3.8
208.06931	0.3
209.15475	2.6
210.05406	0.4
225.07709	2.4
225.14989	0.3
227.16531	29.5
228.16830	2.3
233.06660	0.7
253.13368	0.3
267.07721	0.4
281.09109	0.3
293.08908	1.2
295.10150	1.0
296.11453	0.3
297.12442	1.5
313.11295	0.6
325.11798	0.4
344.12704	0.3
355.12762	2.5
356.12930	0.4
359.15021	0.9
389.21814	100.0
390.22144	12.2
390.26465	0.2
399.12015	0.9
431.14661	4.9
432.14816	0.5
433.20825	4.4
434.21036	0.5
438.79794	0.2
443.14651	0.4
459.15039	0.4
461.15610	0.6
521.17621	2.8
521.25897	21.6
522.18805	0.4
522.26410	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03456	2.7
58.00594	1.0
59.01381	100.0
60.01716	1.4
61.98832	0.9
69.46078	3.5
69.51894	0.3
71.01385	28.6
72.01731	0.5
72.99326	1.0
73.02949	7.4
74.57722	0.4
75.00851	0.5
83.01395	3.8
85.02961	12.8
87.00900	1.2
87.88366	0.3
89.02459	8.6
89.02984	0.7
89.16837	0.3
93.07127	1.0
95.01389	2.3
97.02966	0.8
99.00896	2.9
99.04520	2.0
101.02455	20.4
101.80493	0.3
102.02804	0.4
109.06649	0.5
111.00908	1.0
113.02470	11.5
119.03505	3.0
119.04178	0.3
121.06669	0.4
123.00903	0.8
124.59522	0.3
125.02443	1.9
127.46117	0.3
129.01953	0.7
131.03499	0.7
143.03476	0.8
146.16397	0.3
149.04604	0.9
151.00452	0.4
153.05608	0.4
153.12880	1.1
159.03047	1.4
161.04570	7.2
162.04839	0.5
165.12888	1.0
168.00681	0.8
169.01460	2.8
179.05673	0.4
183.68887	0.4
189.12852	0.9
207.13937	1.8
209.11868	5.4
211.02477	3.8
225.11371	0.5
225.14977	5.6
226.15234	0.5
227.12903	24.0
228.13243	1.7
229.18094	6.5
230.18530	0.4
251.11263	4.4
269.14020	1.5
271.04535	4.9
287.14948	0.6
293.12411	2.0
311.09091	0.6
331.06705	0.7
359.28009	7.9
360.28412	1.1
371.15091	1.4
372.15381	0.3
389.21930	0.7
391.23398	1.2
392.99924	0.4
485.23959	0.4
494.75278	0.3
503.25098	6.4
503.32440	0.6
504.25577	1.0
521.26135	76.6
521.33533	47.8
522.26489	12.9
522.33881	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.9
57.03447	3.9
58.00594	2.5
59.01379	46.5
60.01717	0.4
61.98830	2.1
67.01907	0.4
68.99826	0.3
69.03472	1.7
69.81013	1.3
69.81433	0.7
71.01386	73.2
71.05021	4.1
72.01719	0.9
72.99317	3.1
73.02951	17.2
74.99081	0.3
75.00887	1.4
81.03463	0.5
83.01397	7.2
84.02164	0.4
85.02959	28.4
85.06591	0.4
86.03306	0.4
87.00888	3.1
88.98833	0.6
89.02456	31.1
92.17948	0.3
92.71049	0.2
93.03481	0.4
95.01401	4.7
95.05029	0.5
97.02965	3.6
98.03754	2.1
98.20674	0.4
99.00893	10.4
99.04529	0.3
99.92616	0.7
101.02456	46.1
102.02795	0.8
103.04006	0.7
109.02959	0.4
109.06612	2.2
111.00897	0.8
113.02464	29.9
113.06120	0.4
114.02811	0.7
115.04019	0.4
116.92876	20.0
117.01952	0.6
117.05666	0.3
117.92867	1.5
118.92707	0.7
119.03516	8.5
121.06591	0.4
122.06126	0.3
123.08175	1.2
124.05326	1.0
125.02464	5.6
127.07667	4.6
129.01968	1.1
129.05614	0.5
131.03523	18.7
131.07158	3.6
132.03891	0.5
133.05089	0.4
135.04552	0.3
137.02426	0.4
137.06067	0.3
137.09734	2.5
138.06888	0.9
139.00363	0.4
139.03992	0.3
139.07664	7.0
140.07962	0.3
141.09247	2.3
143.03522	7.1
149.04582	3.7
150.03261	0.4
150.53564	0.3
151.06192	0.3
151.07605	0.4
153.09221	6.6
155.10800	24.9
156.11111	1.1
159.03021	5.9
159.04361	0.4
160.04036	0.4
161.04576	45.1
162.04877	1.0
165.01941	2.1
165.05582	1.0
169.01474	1.1
172.04039	0.4
173.04608	0.6
177.01918	0.8
179.05632	6.9
180.04289	4.4
191.05595	1.7
192.04332	1.3
195.02885	0.7
195.06642	10.0
196.06982	0.6
204.06854	0.5
205.03474	1.4
207.06598	4.2
209.15486	2.9
210.05302	0.4
215.05576	0.4
225.07655	2.4
225.14856	0.4
227.16533	30.3
228.16878	1.8
233.06686	0.7
253.13239	0.4
260.05765	0.3
276.16449	0.3
293.08762	1.2
295.10355	2.2
297.12497	1.7
313.05597	0.4
313.11322	0.8
325.12003	0.7
344.12375	0.3
355.12766	3.7
359.14917	0.8
367.13235	0.4
389.21808	100.0
390.22147	9.0
399.11957	1.2
414.05655	0.4
431.14630	5.5
432.15115	0.4
433.20724	3.9
434.20905	0.4
443.14185	0.5
456.61993	0.3
459.15137	0.5
461.15311	0.8
516.27240	0.3
521.17456	2.9
521.25934	22.1
522.19092	0.4
522.26025	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	521.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.03457	0.6
58.00601	1.3
59.01381	46.6
59.98521	0.8
60.01717	0.7
61.72601	0.3
61.98829	1.8
69.03467	1.2
69.40443	0.9
69.40860	2.2
71.01389	26.1
72.01744	0.4
72.99313	1.0
73.02950	2.6
81.03472	1.2
83.01371	1.4
85.02962	3.9
87.00896	0.7
89.02456	34.5
90.02805	0.7
95.01401	0.6
96.96062	1.3
96.96973	0.5
97.02968	1.8
98.03767	0.3
99.00904	1.7
99.04562	1.4
101.02458	10.4
104.62775	0.3
108.02188	0.8
109.02979	1.7
113.02464	5.8
119.03496	2.0
123.00872	0.3
123.04530	0.3
124.01682	0.3
125.02467	13.3
126.02843	0.6
129.01967	0.5
131.03525	15.4
132.03876	0.3
143.03506	1.3
149.04573	15.9
150.04970	0.5
152.01146	0.3
153.01945	0.4
153.05568	0.6
161.04529	1.6
162.06902	0.3
167.10794	100.0
168.09737	0.3
168.11140	5.4
172.13182	0.3
173.04579	0.4
191.05637	5.8
191.10799	0.8
192.06123	0.3
202.60510	0.3
209.11842	0.4
221.06702	0.3
233.06628	1.2
275.07742	0.7
283.20718	0.3
293.08789	17.7
294.09015	1.5
311.09927	0.7
329.19766	0.3
339.20059	0.3
341.15985	0.5
359.28064	0.9
359.47586	0.3
461.20245	4.6
462.20596	0.9
521.16974	0.4
521.33386	4.6
522.32855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70272	0.5
55.01877	1.6
57.03456	3.9
58.00594	1.0
59.01379	39.3
60.01733	0.5
61.98830	8.3
69.03471	1.0
71.01385	22.9
71.49888	0.9
72.99326	1.8
73.02953	6.1
75.00856	0.9
79.05532	0.6
81.03472	1.4
81.93691	0.5
83.01390	2.8
83.05018	1.3
85.02956	9.4
87.00894	4.4
87.04528	2.6
88.98825	1.6
89.02455	13.1
95.01391	1.8
95.05073	0.8
97.02941	1.3
99.00906	2.5
99.04536	0.8
101.02457	15.5
102.98610	5.6
105.01939	0.9
107.01415	0.7
107.05102	0.7
108.02214	1.0
109.02975	2.5
109.06583	0.7
110.06201	0.5
111.00888	1.2
113.02473	9.0
116.92942	1.1
117.05627	1.6
117.50027	0.6
119.03522	4.4
119.08674	2.1
120.01256	0.8
120.99700	0.5
121.02964	0.9
121.06618	1.2
123.00914	2.1
123.04543	1.1
125.02477	3.4
131.03529	2.9
133.01555	0.8
133.10234	0.9
135.04544	1.5
135.06641	7.8
135.08182	2.9
135.11838	1.2
137.09737	16.6
138.10059	1.1
140.01286	0.5
141.01947	0.7
143.03554	1.5
147.04510	0.8
149.04562	1.8
149.06097	0.7
150.03230	0.8
151.00398	1.3
151.04024	0.9
151.07741	0.5
153.09229	1.8
159.03088	0.9
159.04535	1.4
160.04126	0.7
161.04579	4.6
161.06105	1.5
161.09746	5.9
163.04070	1.1
163.07649	6.6
165.05576	1.3
168.00459	0.7
169.01456	2.4
172.05232	0.6
173.06038	1.1
179.05644	1.4
179.10774	4.9
181.08719	8.6
181.12379	1.3
189.05676	0.7
191.07188	0.7
192.00662	1.1
197.11835	1.9
205.08731	1.4
207.03008	2.2
223.09750	4.3
225.11394	1.3
241.05054	1.2
243.12453	1.1
255.06650	1.2
281.08304	0.7
283.04858	6.5
287.15063	1.1
293.08875	0.7
295.10364	0.8
296.11169	0.7
297.11914	5.1
299.09222	3.7
311.09384	1.4
313.05765	0.8
313.10919	0.9
326.11703	1.2
329.10333	1.4
329.16199	6.7
330.10867	1.2
330.16129	0.8
341.10583	0.9
344.12692	6.6
345.13422	5.5
355.13028	1.2
357.13391	1.2
359.11368	1.2
359.15051	13.1
360.15335	1.6
366.78015	0.6
369.08356	0.8
399.12076	1.7
431.14813	2.7
458.17740	1.7
459.11505	1.5
459.18716	5.0
461.20340	4.5
483.18539	0.7
503.21161	2.0
521.22162	100.0
522.22577	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	521.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80894	0.3
55.01878	2.2
57.03447	3.8
58.00593	2.8
59.01381	44.1
60.01711	0.5
60.36935	0.3
61.98829	6.6
63.40165	0.4
69.03468	2.1
69.03773	0.3
71.01386	45.4
71.05048	0.9
71.44170	0.3
71.70347	0.5
72.01752	0.7
72.99321	3.1
73.02951	12.0
75.00883	0.7
81.03440	0.4
83.01395	6.1
83.05038	0.4
83.71437	0.4
84.02193	0.4
85.02959	16.4
85.06598	0.4
86.03278	0.5
87.00888	4.1
87.04517	0.7
89.02455	22.1
95.01379	4.1
96.96043	0.8
97.02995	0.7
97.06585	1.6
99.00885	4.3
99.06666	0.4
101.02457	32.6
102.02779	0.8
108.02174	1.9
109.02969	2.6
111.00906	1.5
111.08190	1.8
113.02460	17.1
119.03518	9.4
121.02995	1.9
121.10248	1.5
123.00890	1.5
123.04505	0.5
123.08162	0.7
124.01676	0.6
125.02452	3.6
127.11311	0.6
129.01964	0.5
131.03545	2.5
137.02460	0.9
137.09776	0.6
139.00378	0.5
140.01129	0.4
143.03496	2.8
143.10756	0.4
144.03769	0.4
149.04584	1.6
151.00354	0.6
152.01190	1.3
153.01955	1.7
155.10773	0.5
157.12379	0.5
159.03079	1.7
159.04237	0.4
161.04576	7.7
161.05861	0.7
163.06000	0.4
165.12857	16.5
166.13196	0.8
167.10811	1.3
167.14510	0.5
168.00665	0.7
169.01456	2.4
171.13965	1.0
177.05591	0.4
179.05638	4.1
179.07027	0.6
179.14439	0.5
181.12433	0.8
183.13913	37.1
184.14287	2.5
187.13394	1.2
195.13898	0.7
197.15462	5.7
199.13405	0.4
199.17033	0.5
201.14975	6.8
207.13962	3.3
209.11867	3.6
209.15550	0.4
211.02448	1.1
211.13326	0.4
216.00569	0.4
225.11394	0.4
225.14958	4.2
227.12900	26.8
227.16173	2.4
228.13191	2.0
229.18124	0.8
241.14444	0.6
243.19806	0.7
251.12912	3.1
269.13919	2.8
271.04648	0.5
271.19199	1.2
271.22372	0.4
293.08734	0.5
298.98358	0.4
299.15152	0.8
299.99240	0.5
300.99960	1.5
311.09711	2.1
329.16214	3.1
329.19797	0.6
332.18002	0.3
341.27020	0.7
341.92407	0.4
347.20865	0.9
359.28021	24.8
360.28384	2.3
373.22641	0.4
375.23660	0.7
389.18005	1.0
389.22253	2.5
436.52200	0.8
450.51874	1.1
459.18762	0.8
461.23901	1.3
477.17615	1.0
491.32404	0.5
503.21326	2.5
503.31979	0.6
504.21588	0.4
521.22418	39.2
521.33429	100.0
522.22723	6.3
522.33807	16.1
540.56873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
58.00605	0.8
59.01380	27.9
60.01748	0.6
61.98839	2.6
67.01883	0.8
67.34870	0.5
69.03494	0.6
69.58340	4.0
71.01388	14.5
72.99332	0.7
73.02973	2.2
79.01911	1.0
83.01381	1.2
85.02962	3.8
87.00924	1.1
89.02453	9.2
89.02972	0.6
95.01424	1.8
97.02982	0.7
99.00900	0.8
101.02460	4.3
107.01405	5.1
111.00925	2.5
113.02471	3.0
119.03523	0.9
121.02979	0.6
123.00896	9.1
123.04568	0.8
124.00919	0.5
124.01630	2.3
125.02469	26.3
126.02805	1.0
127.00417	0.6
131.03516	1.3
136.98849	1.8
137.02460	0.5
138.03288	0.5
139.00439	3.5
139.04082	0.7
139.11389	0.7
140.01210	4.1
141.01912	1.2
146.03792	0.8
149.02458	0.5
149.04631	1.8
151.00420	4.4
153.05663	1.0
161.04602	1.8
164.04900	1.0
165.01967	1.0
167.03545	1.8
168.00668	11.9
169.01457	44.5
170.01801	1.6
175.04033	1.4
179.07188	1.2
180.60938	0.5
181.12277	0.7
183.02975	1.1
183.10291	0.8
187.03986	0.7
190.06363	1.1
193.01553	0.5
205.05095	1.6
207.10342	1.1
207.13858	0.5
211.02492	59.5
212.02872	2.6
219.06432	0.6
220.07455	1.1
225.11421	1.0
225.14911	0.9
227.12860	4.8
229.17943	0.8
235.09746	0.8
241.03621	1.5
243.12419	1.6
271.04584	70.8
272.04895	4.3
287.15005	0.5
311.09314	1.6
313.05743	0.7
326.11658	1.0
328.13541	0.6
331.06659	7.4
332.07086	0.6
359.15036	0.8
359.27786	0.9
371.15045	7.6
372.15390	1.1
389.21555	0.6
461.20328	0.6
483.18744	2.2
491.19308	1.1
503.25116	0.8
521.20135	100.0
521.33081	6.9
522.20453	13.6
522.33441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36403	0.7
55.01874	0.9
57.03439	1.5
57.37054	0.8
57.63469	0.8
58.00602	1.9
59.01382	15.7
60.01706	0.8
61.98834	9.0
69.65353	2.2
69.65768	3.6
71.01385	18.6
72.99309	1.4
73.02945	4.2
75.00864	1.2
83.01405	2.2
83.05003	1.0
85.02950	4.9
86.00037	0.8
87.00883	3.2
88.98816	1.5
89.02454	13.5
95.01388	1.2
97.02969	1.3
99.00912	2.1
101.02450	8.4
102.43817	0.8
106.61621	0.7
107.01390	1.7
108.02225	1.3
108.99600	0.8
109.02211	0.9
109.02964	16.8
111.00896	1.0
111.04538	0.7
113.02469	6.1
116.92873	1.9
119.03530	1.9
120.01246	2.9
120.99668	0.9
122.06145	4.5
123.00910	1.4
123.04526	0.9
124.07687	1.0
125.02454	9.0
131.03542	4.4
132.04604	1.3
135.04510	2.0
137.02419	1.2
137.06119	0.8
143.03552	0.9
144.04539	2.7
146.06113	2.8
149.04570	2.7
149.99780	0.8
150.05644	1.9
151.04002	2.1
153.01898	1.1
159.03267	1.5
159.04518	7.1
160.04039	2.8
161.04582	3.6
161.05875	0.8
162.05615	1.4
162.67577	0.7
163.00415	1.5
164.01160	2.8
167.03564	1.1
169.01433	8.9
172.04060	5.6
173.04771	1.0
173.06091	3.7
174.05585	3.5
176.07152	1.7
177.02107	0.8
179.05695	1.2
189.05629	4.1
190.04916	1.5
190.99875	1.7
191.05656	2.1
191.07149	2.0
192.00670	13.9
193.01256	1.2
195.06522	0.8
197.08205	1.2
202.05122	0.9
203.07323	1.1
204.06712	7.2
205.07190	1.1
207.02991	12.4
211.02429	2.1
225.13951	0.9
227.16573	1.4
229.13522	1.3
231.05275	1.1
232.06042	2.3
233.06662	1.2
237.10219	2.0
238.08923	0.8
238.11162	2.9
240.04208	2.5
240.09114	0.9
241.05067	10.2
241.09816	2.5
242.05176	1.0
248.05614	3.0
251.11743	0.9
253.06194	1.7
253.09749	1.1
253.10886	1.1
253.13394	8.0
255.06679	6.4
255.11307	1.9
256.07422	1.1
262.07169	2.5
263.07913	1.9
266.06808	1.0
267.07538	2.4
267.11295	1.4
268.08542	1.1
269.08316	1.6
269.12949	2.7
271.04608	1.3
271.10214	1.4
279.11484	1.5
280.08646	1.9
281.09332	4.1
282.09964	2.5
283.10883	4.1
285.12399	1.3
287.13919	1.3
293.08771	1.6
295.10974	5.6
296.11554	2.7
297.12436	28.3
298.12695	3.7
299.09244	8.1
300.99820	1.0
311.10312	1.1
311.13989	2.8
313.05511	3.7
313.10757	10.8
314.00473	1.0
314.08881	0.9
323.10477	1.6
325.11850	8.4
327.13034	1.6
328.10391	1.0
329.10394	4.5
329.15186	2.2
337.11871	2.2
341.11377	1.8
343.11801	3.2
344.12677	35.4
345.13120	4.3
351.09818	1.2
353.11365	2.6
355.13000	34.1
356.13309	5.0
357.14090	1.6
359.15015	100.0
360.15320	11.7
363.09644	1.2
367.12994	3.2
368.13400	1.0
369.07806	4.8
371.12268	1.0
381.10825	2.6
387.15692	2.5
389.21729	6.2
391.13046	1.6
399.11987	13.5
400.12485	1.5
401.13449	8.1
411.12137	1.9
413.13425	1.5
431.14618	91.4
432.14966	12.3
443.14560	7.7
461.15543	11.8
467.14447	2.0
485.15887	3.8
503.16681	3.1
521.09344	11.9
521.17798	45.4
521.26294	11.1
522.09808	2.0
522.18188	8.7
522.26202	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	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75640	0.4
55.01875	0.5
57.03466	0.5
58.00610	1.1
59.01378	22.3
60.01716	0.4
69.03469	0.4
69.23640	0.3
70.64127	0.9
71.01385	12.7
72.99329	1.1
73.02953	4.7
83.01399	1.0
85.02956	5.6
87.00893	1.4
89.02450	9.6
95.01423	0.8
95.05035	0.5
97.06625	0.9
98.19791	0.4
99.00912	1.4
101.02457	9.9
103.04013	4.7
104.04348	0.4
104.31786	0.3
108.02174	0.5
111.00939	0.4
113.02445	2.9
117.03526	0.4
119.03535	4.1
123.00883	1.0
125.02478	1.3
127.04025	0.8
131.30676	0.4
134.03755	14.1
135.04482	1.6
137.02501	0.8
138.03276	0.9
138.54448	0.3
145.02927	2.0
145.05061	1.0
146.03754	49.0
147.04074	2.6
149.06108	11.6
150.03259	0.6
150.06419	0.7
151.00397	0.7
151.04041	2.5
161.04599	2.1
161.06082	17.8
162.03247	4.7
162.06458	0.9
163.04097	2.7
163.06123	9.1
164.04814	32.5
165.05244	2.4
165.12753	0.5
168.00691	0.5
169.01450	1.5
171.13908	0.6
172.05307	1.0
177.05589	16.5
178.05865	0.9
179.07146	100.0
180.07492	6.7
182.05862	1.5
183.06664	0.9
183.13965	2.6
197.08165	1.0
209.08267	0.6
211.02577	0.8
211.06149	1.1
211.13376	0.7
225.07697	0.9
227.12880	0.6
236.71884	0.3
271.04871	0.4
323.55167	0.4
328.11627	3.1
329.11710	0.5
341.12308	1.9
342.13141	1.9
343.13937	5.1
347.20673	1.0
359.27994	2.7
491.19180	1.9
492.19708	0.4
503.19180	3.8
504.19662	0.5
521.19470	5.7
521.26019	3.5
521.33081	21.6
522.20062	1.0
522.26868	0.8
522.33575	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
57.03436	1.7
58.00596	1.3
59.01380	30.1
61.98837	3.1
62.69492	0.5
69.03476	0.6
69.85625	3.8
71.01385	21.1
71.57001	0.7
72.99312	1.8
73.02956	5.7
75.00874	0.6
83.01394	3.9
85.02963	8.8
86.00102	1.8
87.00878	2.9
89.02455	8.6
93.03461	4.6
95.01393	2.4
97.02920	0.7
99.00890	2.6
101.02460	13.1
104.36234	0.6
108.02178	0.7
109.02960	1.4
110.88248	0.6
111.00904	1.3
113.02438	5.1
119.03506	3.1
121.02989	5.3
124.01656	0.9
131.03510	1.5
135.04555	1.5
136.01688	0.8
137.02477	9.3
139.11304	1.8
145.02956	2.7
147.04547	0.8
149.04591	1.3
153.01994	1.1
159.04541	2.5
164.04807	1.0
165.05591	0.7
169.01390	0.9
177.01859	1.2
179.03516	4.0
179.10855	0.6
180.08009	0.7
181.12349	0.8
183.10277	1.5
191.05537	0.9
225.11253	0.7
227.12878	2.6
239.05589	2.4
240.04071	0.7
243.12207	3.1
253.08577	0.9
255.06622	2.4
255.16087	1.7
263.07196	1.2
265.08704	1.1
266.05869	0.9
267.06509	2.1
268.07413	4.0
269.08148	4.9
270.08896	2.7
280.07440	2.2
281.08197	11.6
282.08942	5.4
283.09772	8.5
284.10068	0.9
285.13461	1.0
293.08255	3.1
294.08844	0.9
295.09656	3.7
296.10428	2.8
297.11258	1.3
299.09393	4.3
300.09857	2.2
309.11282	1.0
310.55917	0.7
311.09277	4.5
312.09967	1.7
313.10712	1.0
314.07898	1.9
314.11615	7.8
315.12247	4.6
325.10922	0.8
326.11575	11.8
327.12228	7.8
328.12903	1.2
329.13885	9.8
340.09558	0.8
341.10068	1.3
341.13943	9.3
342.14594	1.0
343.11844	2.5
345.15359	0.8
355.11945	5.7
356.12503	1.1
357.13202	1.0
369.13306	1.6
385.14877	1.3
389.21844	1.0
405.17877	0.7
445.15063	0.9
459.09500	0.8
461.14542	1.8
461.20383	0.7
473.14539	5.6
474.15079	1.2
476.16870	11.2
477.16803	1.1
483.18637	1.0
488.16861	7.5
489.17169	1.5
491.19205	100.0
492.19608	12.4
503.19202	97.6
504.19473	13.4
521.20081	13.8
522.20898	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52161	0.4
51.86210	0.3
59.01384	3.6
61.89019	0.3
62.04844	0.3
69.73821	2.2
70.34207	0.4
71.01378	2.4
71.05028	1.0
72.99320	2.1
73.02948	1.4
75.00877	29.3
81.03447	2.2
85.02953	2.1
87.00883	3.6
89.02444	1.9
97.02957	0.8
99.00896	3.0
99.04515	0.9
104.51325	0.3
105.01911	0.6
115.33834	0.3
125.02399	0.4
131.03528	1.2
143.03525	6.8
161.04562	5.5
162.04897	0.5
179.05620	100.0
180.05978	4.2
271.50027	0.4
460.70602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68145	0.6
51.60767	0.6
58.00579	1.5
59.01377	7.8
61.98817	2.6
64.62914	0.6
69.37553	5.9
69.37967	1.2
71.01403	6.4
73.02939	2.6
75.00883	0.8
77.50951	0.5
79.17599	0.7
80.91367	0.6
85.02943	2.2
88.98795	1.2
89.02449	4.1
90.62132	0.6
95.01397	0.6
95.05090	0.7
98.19836	1.4
99.00964	0.7
99.92596	2.8
101.02441	2.7
102.31889	0.6
102.34751	0.6
109.02945	0.8
111.40947	0.6
113.02453	2.3
116.92883	43.7
117.01935	1.8
117.92887	3.6
119.03558	0.7
122.06151	3.8
123.00836	1.3
125.02477	1.6
131.03490	1.6
132.04547	1.8
137.02339	0.6
144.04585	2.3
145.05284	0.7
146.06110	3.0
147.03369	1.1
149.04541	1.4
150.05629	1.6
160.04059	3.6
161.04607	1.4
162.05626	1.6
169.01411	1.2
172.04039	4.1
173.04665	1.8
174.05621	3.7
176.03561	1.1
176.07149	1.9
190.05095	2.4
191.05679	2.0
191.48528	0.6
201.06564	0.7
202.05019	1.5
203.05792	1.3
204.06702	9.3
205.07150	1.5
206.08348	0.8
214.05013	0.7
216.06587	0.7
218.04538	0.8
219.05333	0.7
225.10599	0.8
225.14088	0.9
229.13416	1.8
230.04521	1.2
231.05377	1.9
232.06212	2.2
237.10303	1.2
238.11089	2.6
239.11836	1.4
240.09036	1.3
241.09828	1.5
248.05627	4.0
251.11952	1.1
252.10191	1.2
253.06186	1.8
253.09792	1.0
253.10916	0.9
253.13461	8.4
254.10558	0.9
254.13904	1.5
255.11267	1.8
262.07153	2.9
263.07996	2.2
266.07040	0.9
267.07742	3.0
267.11240	1.0
268.08401	2.3
269.09219	1.8
269.12967	3.2
275.07990	0.8
279.11334	0.8
280.08624	1.3
281.09351	3.6
282.10080	2.5
283.10870	2.7
295.10831	5.2
295.14093	1.4
296.11536	4.3
297.12418	26.7
298.12766	2.4
309.08862	1.0
311.10522	1.1
311.14063	3.7
314.09058	0.7
323.10297	1.5
323.13953	1.0
325.11865	7.3
326.12234	1.1
327.13541	1.0
329.15338	1.6
337.11926	1.7
339.13593	1.3
341.11319	1.5
353.11389	2.6
355.12997	36.5
356.13348	4.9
359.11661	0.9
363.09787	1.0
367.13052	4.7
369.10760	1.5
381.10880	2.3
387.15768	2.6
389.21771	1.9
391.13168	1.0
399.12009	14.6
400.12366	2.5
401.13498	7.1
402.13855	1.6
411.12292	1.8
413.13617	1.8
423.83612	0.8
431.14612	100.0
432.14960	12.7
435.13162	0.8
443.14661	8.0
444.14920	1.1
452.59326	0.6
459.15408	0.8
461.15503	12.6
461.21179	0.9
462.15848	2.5
467.14682	2.6
485.15756	5.8
503.16779	3.2
521.17804	43.9
521.25922	2.5
522.18091	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	520.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.17645	1.3
71.17970	1.1
90.99125	0.8
96.96024	4.1
113.32742	0.8
115.71640	0.8
121.40151	1.0
233.83478	0.9
299.24323	1.0
366.64752	0.9
397.25183	1.2
416.84067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91708	0.2
55.01871	0.2
58.00585	0.2
59.01385	3.3
61.98835	1.9
69.03456	0.3
69.47290	1.8
71.01389	3.8
71.57337	0.2
72.99300	0.4
73.02951	2.8
73.16909	0.2
74.02448	0.3
75.00883	0.5
83.01405	0.6
85.02966	1.4
87.00897	0.6
88.98816	1.2
89.02448	1.8
93.03510	0.2
95.01388	0.5
95.05053	0.2
97.02995	0.3
99.00890	0.7
99.92598	7.1
100.92683	0.4
101.02460	2.7
107.01419	0.7
109.02985	0.6
111.00889	0.7
113.02453	1.6
114.93415	0.2
116.92878	100.0
117.01955	4.0
117.05616	0.5
117.92083	0.4
117.92892	6.2
119.03511	0.4
121.02975	0.4
122.06133	0.3
123.00888	1.1
123.04505	0.2
124.01711	0.3
125.02463	4.2
125.03305	0.4
129.05472	0.2
131.03531	0.7
135.04529	0.3
139.00363	0.3
139.04073	0.2
140.01100	0.3
143.03520	0.3
146.06079	0.3
149.04543	0.2
150.05666	0.3
151.00415	0.8
151.04091	0.2
153.01973	0.4
155.10785	0.6
155.63684	0.2
159.03056	0.3
160.03992	0.3
161.02434	0.2
161.04607	1.5
163.03990	0.2
164.01154	0.2
167.03592	0.2
168.00642	0.5
169.01436	6.0
170.01781	0.3
172.04034	0.4
174.05559	0.4
176.07285	0.2
179.03571	0.2
179.05692	0.4
183.02998	0.2
190.05162	0.4
190.99904	0.5
191.05626	0.3
192.00659	5.5
193.01433	4.4
194.01791	0.2
197.04558	0.3
202.05023	0.2
204.06639	0.7
207.02998	1.7
211.02527	0.2
214.05147	0.2
227.16576	0.8
238.11185	0.3
248.05673	0.3
253.13432	0.7
255.11481	0.3
267.07947	0.2
281.09412	0.3
282.09946	0.3
283.10956	0.3
295.10904	0.5
296.11569	0.5
297.12430	2.3
299.09738	0.2
313.05664	3.6
314.05988	0.3
325.12006	0.6
344.12726	0.4
355.06659	1.3
355.12936	3.2
356.13474	0.4
359.15033	1.3
360.15677	0.2
367.12698	0.3
369.08252	0.5
389.21854	3.5
390.22244	0.4
399.12009	1.5
401.13504	0.8
431.14658	8.4
432.15192	1.0
443.14655	0.8
459.15094	0.5
461.15701	1.2
466.26199	0.2
485.15567	0.5
503.16669	0.3
521.09436	6.8
521.17719	4.0
521.26093	2.1
522.09796	1.2
522.18170	0.7
522.26434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98832	100.0
70.06557	1.8
70.06950	0.7
96.93550	0.4
96.96043	0.7
98.19936	0.5
140.82356	0.4
201.84372	0.4
332.38156	0.4
485.32748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82358	0.2
59.01379	1.0
61.98830	100.0
62.98538	0.3
67.25014	0.2
68.80793	0.2
71.07443	0.2
71.65173	0.3
71.65948	0.2
96.96045	0.2
97.13491	0.3
101.71320	0.2
108.96233	0.2
146.33565	0.2
154.60486	0.2
225.11472	0.4
235.96454	0.3
452.67603	0.2
520.33551	1.9
521.33643	0.8
523.89789	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
80.13301	0.4
96.96027	0.5
120.44713	0.4
129.46046	0.5
132.82236	0.4
133.99397	0.4
142.89017	0.4
224.26219	0.5
229.73817	0.5
337.10361	0.5
422.80096	0.5
521.33264	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	520.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
56.94913	0.3
57.03452	2.1
58.00594	0.6
58.02982	0.7
59.01379	100.0
60.01707	1.1
61.98831	7.0
69.03475	0.5
71.01385	19.4
72.01742	0.6
72.99322	1.2
73.02956	7.8
75.00870	0.5
83.01390	3.0
83.05016	0.4
85.02960	8.4
86.00129	0.4
87.00453	0.4
87.00878	2.2
88.01197	0.4
88.98808	0.4
89.02454	9.9
93.03463	2.4
95.01420	1.1
97.02979	1.0
97.06614	0.5
99.00889	2.5
99.04546	1.6
101.02457	10.9
108.02158	0.5
109.02975	0.5
109.06605	0.6
111.00918	0.5
113.02470	7.7
113.06195	0.4
114.02808	0.4
115.04026	0.7
117.03521	2.2
119.03513	1.3
119.05054	1.3
121.02974	1.3
123.00886	0.5
123.04536	0.8
124.01688	0.6
125.02486	1.7
131.03564	1.1
135.04564	0.8
136.01686	5.1
136.05254	0.5
137.02541	5.3
139.00294	0.4
139.04079	0.6
139.11316	4.5
143.03558	1.0
145.02985	11.7
145.04117	0.9
149.02469	1.5
150.03285	3.2
151.02806	0.8
151.04022	8.8
152.04352	3.0
153.09128	0.5
159.03006	1.2
159.04437	0.8
160.05328	0.5
161.02473	0.6
161.04587	8.6
161.05859	0.5
163.04001	2.0
164.04779	0.4
165.01994	0.8
165.05626	2.1
165.09174	0.5
165.12875	1.4
166.02788	0.7
166.05116	9.4
167.05515	0.6
167.10797	0.7
169.01503	1.3
170.01782	0.5
175.07729	0.5
179.03519	1.9
179.10765	0.9
181.12328	1.9
181.61664	0.4
183.10277	6.3
189.12929	0.6
194.05602	0.4
195.06610	1.1
207.13931	3.0
209.00912	0.4
209.11813	6.0
209.13721	0.5
211.02577	0.7
212.02980	0.4
212.04848	0.6
225.11403	1.6
225.14938	7.4
226.15422	0.5
227.12897	29.6
228.13243	1.5
239.05521	1.0
243.12334	4.2
250.09413	0.9
251.07635	2.7
251.13004	0.7
269.08081	0.4
269.13873	3.4
270.05460	0.8
271.04807	0.7
272.04926	0.7
279.81311	0.4
281.08392	0.5
285.13437	1.3
287.09872	0.4
287.15030	8.8
292.10336	2.8
293.08646	1.6
295.10110	0.6
296.06842	0.7
296.10455	0.5
297.07620	0.4
298.08298	0.5
299.09213	0.8
300.10092	0.7
307.08237	2.4
311.09216	2.3
312.10022	0.5
313.10904	0.9
314.08041	0.7
314.11612	1.1
315.01416	1.2
315.05081	0.5
326.11633	1.0
327.12326	2.7
329.10236	1.0
329.16385	0.6
341.13892	0.8
343.11768	0.6
344.12643	2.6
345.06305	2.7
345.13071	0.5
345.15799	0.7
357.13333	3.0
358.13806	8.2
359.14761	3.6
373.12839	0.6
389.18045	1.4
405.17761	1.5
447.18729	6.5
449.20300	2.0
457.17108	0.7
461.20129	2.4
473.13635	4.8
491.20059	6.1
500.56375	0.4
502.22937	5.9
503.19431	6.0
506.18167	2.0
520.23993	68.8
521.20923	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01722	1.0
60.29650	0.2
61.98832	5.9
71.71575	0.3
78.95921	0.3
80.58239	0.3
96.96033	0.5
103.91586	0.3
126.01203	0.3
180.14140	0.3
190.31398	0.3
304.66165	0.3
519.32294	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	519.405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59658	0.4
59.01380	100.0
59.77694	0.5
60.01720	1.2
61.98835	7.0
70.92728	0.9
70.93064	0.6
71.61510	0.4
71.93464	0.5
77.65328	0.5
96.96046	0.9
98.71877	0.4
108.22833	0.4
197.36346	0.5
229.37527	0.5
404.51965	0.5
444.21637	0.5
519.33624	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	519.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77488	0.2
58.97380	0.2
59.01381	100.0
60.01719	0.8
61.98835	7.1
71.07422	0.7
152.47321	0.2
153.48306	0.2
290.08380	0.2
300.99319	0.2
459.35184	0.3
519.32635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01730	1.1
60.12625	0.7
61.98833	19.9
65.74327	0.6
70.87808	2.3
73.02966	1.9
79.59488	0.6
85.15588	0.7
96.96004	1.0
140.75128	0.8
161.66972	0.7
178.30666	0.6
189.06361	0.7
249.02838	0.7
519.33478	4.5
520.33960	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3331
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
57.03444	4.0
59.01385	7.8
61.98829	8.2
71.01390	2.4
71.73750	0.7
72.99313	0.7
73.02957	8.3
76.26926	0.6
85.02995	0.7
85.06621	2.1
101.02440	0.8
104.76806	0.8
109.06646	0.8
111.04547	0.8
120.83940	0.6
123.08154	1.0
234.75958	0.8
277.21585	1.0
281.92496	0.7
312.94601	0.7
321.20599	4.0
322.20999	0.9
381.27689	1.0
389.28549	0.8
392.27219	1.9
403.21002	1.0
407.29523	9.6
408.29773	1.4
409.31131	1.2
419.29721	1.7
439.32318	5.4
445.32465	2.8
457.33310	3.0
469.29855	1.4
475.34128	1.6
485.32718	100.0
486.33066	15.6
501.32309	4.4
519.33337	75.6
520.33698	10.1
529.31073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
59.01379	1.5
61.98831	1.3
71.01388	1.2
71.05022	0.2
73.02940	0.3
75.07307	0.2
76.48557	0.2
85.02953	0.4
89.02458	0.4
101.02454	0.4
113.02485	0.3
119.08681	0.3
121.06612	0.2
123.08179	0.3
125.02465	0.2
131.13286	0.2
134.07442	0.2
135.08163	0.3
151.07724	0.2
171.11887	0.2
175.11307	0.5
175.55281	0.2
189.12831	0.4
205.12387	0.6
209.11958	0.2
223.14970	0.4
225.16441	0.2
239.14433	0.3
319.51581	0.2
323.20163	0.2
357.26221	0.8
359.23877	0.4
361.25229	0.4
363.27005	0.4
373.29141	0.4
375.22906	0.3
375.26978	1.1
377.23761	0.3
377.28491	6.5
378.28836	1.0
379.26031	0.2
379.30136	1.5
380.30414	0.3
389.28500	2.1
390.28894	0.2
391.30276	2.2
392.30429	0.3
393.27975	0.4
395.29877	0.3
403.21390	0.7
405.28046	0.6
407.29572	20.5
408.29901	3.1
409.31210	0.5
411.29214	0.2
419.29758	0.2
421.27628	0.5
425.30743	0.6
431.51587	0.2
441.30154	0.8
451.28583	0.7
453.30423	0.3
456.33002	0.2
457.33334	5.2
458.33557	0.8
465.26517	0.3
473.32797	3.8
474.33182	0.6
475.34122	0.8
489.32339	2.2
490.32275	0.4
501.32178	2.5
502.32642	0.3
519.33295	100.0
520.33649	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	519.3325
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
56.19036	0.6
57.63798	0.6
58.43036	0.7
59.01379	18.6
61.98831	13.8
66.91595	0.7
68.54922	0.7
78.95894	4.5
83.04980	0.7
84.74160	0.6
95.05047	0.7
96.96024	1.3
98.89120	0.6
110.79204	0.7
115.24088	0.7
141.34537	0.7
149.69560	0.7
152.99594	7.2
171.00700	1.0
181.12344	7.3
189.12860	4.0
191.14429	0.8
205.15927	3.8
207.17508	2.0
209.15402	0.8
223.16910	0.8
225.11320	48.9
225.41360	0.8
226.11662	2.3
229.86336	1.3
229.88428	0.9
249.14934	8.0
250.15256	1.0
251.16399	1.3
253.14403	3.0
258.09763	0.7
267.15927	0.9
281.75888	0.7
311.15012	4.1
413.34277	2.4
433.23669	3.0
457.33240	7.3
458.33588	1.9
501.31808	1.5
519.33179	100.0
520.26660	0.7
520.33496	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	519.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
57.03446	4.5
58.00588	0.6
59.01380	79.8
60.01712	1.2
61.98824	3.2
69.03444	1.0
71.01388	23.9
72.99335	1.1
73.02950	10.9
77.37144	0.6
77.89037	0.5
80.02676	0.8
81.03440	0.6
83.01390	4.2
83.05032	0.8
83.15074	0.6
83.60019	0.6
85.02959	10.7
87.00889	2.0
87.04526	2.3
88.98824	1.6
89.02458	8.7
95.01415	2.1
97.02958	1.5
97.06611	1.2
99.00901	2.8
99.04556	3.7
101.02454	18.5
103.04032	1.4
105.05589	7.5
107.01424	0.6
107.05035	0.8
108.02206	1.1
109.02969	2.9
109.06637	1.4
111.00907	1.9
113.02466	11.0
117.05598	1.4
117.97268	0.6
119.03510	2.8
121.02996	3.1
121.06590	1.3
123.00900	3.4
123.04622	0.6
124.01713	1.3
125.02436	4.3
134.30647	0.6
143.03522	2.1
147.06664	2.0
151.00430	1.2
153.01945	1.4
159.03096	1.4
161.04553	6.9
163.11290	1.2
165.12849	11.0
166.13141	0.8
168.00658	1.2
169.01436	4.7
179.05576	1.1
179.14447	1.0
189.12880	2.6
207.13910	12.8
208.14236	1.5
209.11845	28.2
210.12236	2.3
211.02565	1.8
225.15027	1.0
229.75436	0.6
249.09795	10.8
251.12868	4.0
267.10809	15.9
268.11197	1.6
269.13931	2.0
271.04614	2.1
309.11758	3.9
340.09744	0.8
355.11963	2.2
357.13483	7.5
357.26480	1.5
408.19720	2.2
408.70013	1.0
483.18686	14.1
484.19220	2.9
501.23413	9.0
502.23734	1.7
514.45245	0.8
519.24487	100.0
519.31732	8.2
520.17725	0.9
520.24780	16.0
520.31921	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	519.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78445	0.3
55.01839	0.8
55.02100	0.3
57.03410	0.7
59.01382	5.0
59.72249	0.2
61.98790	0.8
68.99798	0.4
69.38914	2.9
71.01378	4.4
73.02957	1.3
83.01393	14.7
84.01673	0.3
85.02966	1.8
87.00849	0.5
88.98804	0.3
89.02420	1.0
93.03448	0.8
95.01382	0.3
98.19821	0.6
99.00842	0.4
101.02431	2.3
109.02961	1.6
109.06565	0.5
113.02464	1.7
117.03496	0.7
119.03479	0.5
121.02962	8.4
121.06533	0.3
122.03780	4.3
123.00858	0.4
123.04579	1.4
125.02431	0.3
129.59442	0.3
133.02934	0.6
134.03694	0.9
135.04549	2.0
136.01619	1.3
136.05286	0.6
137.02452	6.1
137.05194	0.4
137.06082	3.2
138.02768	0.3
147.04536	1.9
149.02437	2.0
149.05981	0.4
151.04012	2.8
157.63474	0.3
159.02953	0.5
159.04489	0.3
160.05309	0.6
161.02385	1.2
161.04510	2.0
161.06024	1.0
162.03166	1.0
163.04013	2.4
164.04720	0.8
173.05911	0.4
175.03961	1.3
176.04704	0.7
177.05557	1.9
179.03517	1.4
187.03925	0.4
189.05516	0.4
190.06355	0.6
191.07104	1.2
207.13908	2.3
209.08171	0.8
209.11856	0.4
221.08127	1.0
251.12732	0.5
267.06989	0.5
267.10831	0.3
269.13687	0.3
287.32758	0.3
312.09906	0.5
313.10715	0.6
313.14465	0.4
314.96243	0.3
324.10049	2.6
327.08667	1.2
327.12131	0.5
341.10257	1.1
342.11078	40.7
343.11411	4.5
357.13431	100.0
358.09235	0.6
358.13757	12.0
375.14551	0.5
519.17798	0.6
519.25305	6.3
519.32227	0.3
520.24731	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72966	0.4
55.01858	1.1
57.03445	3.0
58.00588	0.4
59.01381	52.9
60.01727	0.4
61.98825	1.9
69.03478	0.7
69.41293	5.2
69.41643	0.8
71.01386	15.3
71.05011	0.5
72.99309	0.7
73.02958	4.5
81.03496	0.5
83.01405	2.7
83.05030	1.3
85.02962	5.4
87.00876	1.4
87.04514	0.7
88.98791	0.8
89.02451	5.5
95.01377	1.3
97.02952	0.5
97.06578	1.1
99.00901	0.8
99.04558	3.3
101.02456	10.8
105.05583	2.9
107.05022	0.9
108.02200	3.0
109.02959	1.8
109.06600	5.7
113.02467	7.2
119.03526	1.6
121.06614	3.7
125.02467	0.8
133.06602	1.5
143.03537	0.7
152.01164	2.3
153.01956	0.7
159.03011	1.3
161.04584	4.5
165.12863	4.0
169.01378	0.7
179.05699	0.6
181.12498	0.5
189.12891	4.3
191.10773	1.7
207.13922	27.6
208.14268	2.0
209.11855	11.3
210.12154	0.5
227.12943	1.6
233.11833	0.6
243.02971	2.0
249.09814	2.2
251.12859	6.4
252.13176	0.8
257.04523	0.7
267.10867	9.2
268.11258	0.6
269.13895	1.2
271.02411	1.6
285.04092	1.1
314.04379	2.1
315.04572	0.5
347.93958	0.5
357.13464	1.4
361.95560	0.6
501.23401	3.4
502.23795	0.6
519.12781	4.4
519.24445	100.0
519.30890	3.6
520.12787	0.6
520.16766	0.8
520.24762	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	519.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19556	0.9
53.90590	0.9
58.99597	1.7
59.01375	9.2
61.98834	14.5
64.66559	1.0
67.01879	1.5
71.01377	8.2
71.70185	1.9
72.99313	2.4
73.02944	2.0
75.00874	1.7
78.95903	1.8
83.01390	1.9
83.61355	0.9
85.02957	2.6
87.00890	3.2
88.98814	3.1
89.02462	3.7
93.03501	1.3
95.01407	2.7
96.96039	7.8
96.96959	6.2
99.04504	1.1
99.92578	1.4
101.02469	5.9
102.98612	8.8
107.01391	3.3
107.05007	1.7
111.00896	2.9
113.02448	2.9
116.92900	5.2
119.03533	1.7
121.02980	2.0
123.00894	8.6
124.01733	2.1
125.02462	49.2
126.02798	1.6
127.00411	1.1
131.03500	1.0
135.04527	2.3
136.98795	2.0
137.02477	2.5
139.00375	3.8
139.04007	1.8
140.01163	2.3
143.03491	1.5
143.46446	1.0
144.04636	1.3
145.02968	1.0
149.02484	1.5
151.00391	5.3
151.04012	6.7
155.03566	1.7
161.02554	1.3
163.00476	1.3
165.01938	4.1
165.05556	3.6
166.99937	1.2
167.03477	2.2
168.00668	10.7
169.01437	77.0
170.01802	3.3
177.01826	1.2
177.05632	1.2
179.03514	1.8
179.05563	1.6
181.01526	1.8
183.03044	2.1
191.03522	1.4
191.05499	1.1
193.01408	6.3
195.06656	1.2
211.02486	32.3
212.02837	1.4
229.01241	1.2
241.03485	1.4
244.84796	1.0
245.00737	1.3
249.03954	1.9
253.03418	1.9
253.10973	1.1
258.01666	1.5
271.04575	28.9
272.04913	1.9
274.01154	2.0
275.01938	5.4
276.02261	1.9
283.04953	10.4
300.99918	6.3
302.00140	1.2
313.05518	5.8
325.11374	1.2
331.06683	4.9
349.21274	1.1
423.05725	11.6
424.05670	1.3
457.02292	1.7
457.52560	4.7
458.02530	2.9
483.07632	100.0
484.08017	12.6
514.04535	1.1
519.15558	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	518.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.3
61.98833	100.0
63.30629	0.7
87.01301	0.7
94.80076	0.7
95.23081	0.7
97.72774	0.8
98.20601	2.0
202.30630	0.7
286.86111	0.8
387.37039	0.7
440.98465	0.8
455.34970	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99154	0.7
59.01380	8.4
60.99272	0.9
61.61457	0.7
61.98831	17.9
62.06331	0.7
69.46557	0.9
71.01385	5.3
72.99303	1.7
73.02956	1.6
75.00877	1.3
79.01899	1.0
85.02950	3.0
87.00911	0.9
88.98824	2.5
89.02433	4.8
93.03458	0.9
93.13148	0.9
95.01408	2.3
96.96021	2.1
96.96969	1.0
101.02454	5.6
102.02752	0.9
102.12469	0.8
107.01407	3.5
111.00899	2.3
112.01492	0.8
113.02477	3.6
116.73122	0.8
116.92880	9.4
119.03510	1.2
119.04991	1.0
121.02981	1.5
123.00912	6.6
124.01733	1.1
125.02468	43.1
126.02806	2.1
127.10021	0.7
128.90157	1.2
131.03574	0.9
135.04556	1.0
136.98788	1.5
137.02448	2.4
137.49744	0.7
139.00391	3.4
139.04097	1.3
140.01163	3.2
149.02435	1.2
150.03244	2.6
151.00377	4.0
151.04042	2.4
152.00922	0.9
153.01863	1.1
161.04558	1.3
163.04073	1.3
165.01973	3.0
165.04305	0.8
165.05594	3.6
166.05106	1.1
166.99889	1.4
167.03523	1.2
168.00658	8.0
169.01445	73.6
170.01793	3.1
173.04677	1.0
177.02010	0.9
179.03473	0.9
179.05702	1.1
181.01483	2.7
182.02162	0.8
191.03523	0.9
191.05518	1.1
193.01425	6.4
193.05188	1.0
194.01785	0.8
195.06734	1.0
205.04889	0.8
211.02492	31.0
212.02847	1.2
213.17966	0.8
223.06139	1.2
235.02324	0.9
241.03494	2.1
253.03557	2.2
253.10721	1.3
271.04572	25.5
272.04938	2.2
300.99878	1.6
313.05606	3.5
327.10855	1.1
331.06818	5.6
339.13223	0.7
405.04233	1.6
423.05679	10.8
429.10263	3.3
431.72995	0.8
456.10983	0.8
483.07639	100.0
484.08011	14.2
519.13153	1.6
519.20056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61942	0.2
59.01390	0.3
61.98832	100.0
62.98538	0.3
71.05033	0.5
71.30466	0.4
71.78057	0.2
72.42403	0.2
87.04527	0.7
98.20565	0.2
131.03526	1.4
137.91199	0.2
171.92651	0.2
250.59128	0.2
281.28674	0.6
323.29614	0.5
327.29395	0.3
341.30615	7.3
342.30960	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28163	0.3
60.39111	0.3
61.98832	100.0
71.30260	0.6
71.30616	0.3
96.96032	0.3
141.03619	0.3
150.47166	0.3
162.07784	0.3
165.14957	0.2
168.58978	0.3
456.57254	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88338	0.2
52.87986	0.2
54.50772	0.3
59.01379	5.8
60.01713	0.4
60.18909	0.2
61.98832	100.0
68.88305	0.2
71.71410	0.3
75.45775	0.2
83.01945	0.2
96.96053	0.4
103.92126	0.3
113.02473	0.2
123.73463	0.2
269.24930	0.6
407.10660	0.3
408.74249	0.3
455.35287	41.1
456.35614	7.5
480.13098	0.7
518.29004	0.3
518.36230	0.5
519.31763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99614	0.2
59.01379	2.5
61.98834	100.0
62.98532	0.3
71.01395	1.4
71.45390	0.1
72.99347	0.2
73.02966	0.5
74.56816	0.1
75.00930	0.2
79.00617	0.2
80.74397	0.1
85.02990	0.4
87.00890	0.3
88.98823	0.8
89.02450	1.3
93.03491	0.2
95.01424	0.2
96.96058	0.2
99.00893	0.2
99.92609	0.5
100.28325	0.2
101.02450	0.8
106.51280	0.2
111.00924	0.2
113.02503	0.4
114.93441	0.4
115.00449	0.2
116.92875	4.8
119.03568	0.2
119.05074	0.2
123.00941	0.7
125.02460	1.5
126.02801	0.2
131.03545	0.3
137.02460	0.1
139.00386	0.2
147.04582	0.3
149.04590	0.2
151.04027	0.2
161.02489	0.3
161.04587	0.5
161.06024	0.2
163.04044	0.3
165.05576	0.2
166.02585	0.2
168.00735	0.2
169.01428	1.8
169.02754	0.2
173.04500	0.2
186.33649	0.2
191.03813	0.2
191.05707	0.7
192.06635	0.2
211.02505	0.3
237.07471	0.2
241.60049	0.2
249.04053	0.2
271.04810	0.6
275.02020	0.3
278.07590	0.2
293.09201	0.2
296.08496	0.3
299.11380	0.2
301.00003	0.5
313.05750	0.4
331.06741	0.4
357.13208	0.2
387.20224	0.3
390.05222	0.2
401.66147	0.2
455.08401	0.6
456.02957	0.3
518.19666	1.5
519.19519	0.9
529.05017	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01714	0.4
61.98837	6.0
71.74922	0.8
75.40261	0.4
78.95929	1.0
85.06625	0.5
96.96085	0.5
121.02972	0.6
151.07741	0.5
152.99638	1.3
179.15564	0.5
205.16010	0.5
517.31549	7.1
518.32477	1.4
535.13647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79411	0.4
50.93906	0.5
51.15648	0.4
55.67258	0.5
59.01378	100.0
60.01703	0.8
61.98828	12.3
71.05035	0.7
77.08002	0.6
86.87679	0.5
87.00886	0.6
96.96023	0.6
103.65388	0.5
120.28117	0.5
125.02404	0.5
163.32509	0.5
164.91594	0.5
289.21994	0.8
333.28104	1.5
455.31488	0.7
457.33069	0.8
471.31244	1.8
517.35236	11.6
518.36603	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	517.3167
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
52.26080	0.4
59.01375	13.0
60.74072	0.4
61.98827	6.6
71.05007	0.4
71.66160	0.7
78.95896	0.5
87.04529	1.2
94.60802	0.4
125.76137	0.4
135.48627	0.4
143.54602	0.4
156.19641	0.4
227.02148	0.4
279.23178	0.6
280.23636	0.7
281.23856	1.1
284.16534	0.4
373.39789	0.5
423.29074	1.4
435.28900	0.5
437.30618	7.3
438.30710	1.5
439.32330	2.6
441.30762	0.5
455.31577	5.8
456.31830	0.8
457.33133	5.0
458.33505	1.3
499.30624	0.9
515.30109	0.5
517.31573	100.0
518.31897	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	517.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12428	0.2
53.93728	0.2
55.10891	0.2
58.00587	0.3
59.01370	0.7
60.23571	0.2
60.99312	0.4
61.98822	0.6
71.01411	0.3
71.05011	0.3
75.00864	0.3
87.31940	0.2
98.21194	0.2
112.32802	0.2
148.13132	0.2
200.49620	0.2
377.28748	0.3
385.25296	0.2
391.26563	0.3
407.29742	1.4
408.29999	0.2
411.28864	0.3
425.30640	10.5
426.30923	1.8
437.30533	0.3
455.31641	2.1
456.31885	0.5
469.29495	0.3
487.30646	8.9
488.30905	1.5
499.30109	0.3
517.31671	100.0
518.32019	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	517.3171
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
57.03469	0.3
59.01384	3.2
60.99315	0.7
61.42799	0.2
61.98835	2.9
61.99086	0.2
65.57040	0.2
69.65361	0.2
69.65687	1.8
69.68204	0.2
71.01393	0.5
71.05038	1.1
72.99328	0.2
81.03503	0.2
81.17427	0.2
83.05051	0.4
85.03003	0.2
85.06596	3.4
89.02444	0.2
98.19875	0.3
106.23736	0.2
109.06651	0.4
110.77410	0.2
121.02980	0.3
123.08205	0.8
137.09717	0.2
160.39212	0.2
177.09987	0.3
185.60681	0.2
189.12883	0.5
191.07121	0.3
205.05919	0.2
221.11829	0.5
233.11717	0.2
273.18979	0.3
275.20221	0.8
319.19229	2.4
343.39975	0.2
377.28534	0.3
393.27750	0.3
395.29529	0.3
407.29581	1.0
419.29517	0.4
423.29071	0.9
425.30643	1.7
437.30707	3.2
438.31076	0.5
439.28674	0.8
451.28592	0.4
453.30026	2.8
455.31717	12.7
456.31958	1.7
469.29590	31.3
470.29959	4.6
473.32584	0.8
487.30771	0.4
499.31009	1.5
500.31036	0.4
517.31677	100.0
518.32001	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	517.3166
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
53.56653	0.2
59.01381	0.9
60.99325	0.2
61.98834	1.2
62.47984	0.2
63.42574	0.2
67.53374	0.2
71.01375	0.2
73.02929	0.3
76.65768	0.2
83.13322	0.2
93.03508	0.2
222.38376	0.2
254.57166	0.2
341.50940	0.2
343.17899	0.2
377.28601	0.4
379.30344	0.3
389.28479	0.3
406.25073	0.3
421.27423	1.5
422.27747	0.4
423.28775	0.2
425.26208	0.3
425.31122	0.4
437.30621	12.1
438.30939	2.1
441.30191	0.7
455.31689	7.5
456.32043	1.4
457.33157	0.2
471.30780	0.3
473.32376	0.3
499.30698	0.8
517.31647	100.0
518.31995	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	517.3169
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
57.03442	0.6
58.00573	0.3
59.01366	1.7
61.98832	3.4
65.95387	0.3
69.03461	0.4
71.01376	1.7
71.05030	0.4
71.43855	0.7
73.02932	1.0
75.26346	0.3
85.02946	0.3
85.06564	0.3
87.04515	0.7
101.02477	0.5
111.98806	0.3
121.02992	0.3
265.24023	0.3
347.23737	0.4
361.25272	0.7
363.26962	0.5
371.23499	0.3
377.28577	5.4
378.28860	0.6
379.30069	1.0
389.28546	2.3
391.26279	0.7
391.30515	0.6
393.28067	0.9
399.93701	0.3
405.28204	0.7
406.28839	0.4
407.29584	17.5
408.29834	3.0
409.27100	0.4
421.27466	5.6
422.27802	1.0
423.29031	1.2
424.29413	0.6
425.30701	2.5
426.31079	0.5
439.28690	0.5
441.30240	0.7
443.31317	0.5
451.28592	6.2
452.28842	1.0
453.30182	0.4
455.31485	0.8
457.29614	0.6
465.26337	1.4
469.29605	1.8
471.31131	1.4
487.30762	2.2
488.31174	0.4
499.30591	0.6
517.31689	100.0
518.32025	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	517.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99294	0.3
67.97861	0.2
71.05025	1.9
75.00880	0.3
83.05054	0.6
115.17511	0.2
148.24754	0.2
165.61768	0.2
176.44444	0.2
281.08701	0.2
361.25580	0.3
367.04105	0.2
377.28607	1.5
393.31607	0.6
395.29468	0.8
419.29306	0.6
421.27707	0.5
437.30615	11.2
438.30884	2.0
441.29364	0.3
455.31628	7.6
456.31888	1.1
499.30515	0.7
500.31201	0.3
517.31659	100.0
518.32025	13.4
518.39978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99298	0.5
62.77922	0.2
71.05025	0.7
71.27576	0.5
75.18459	0.2
92.38988	0.3
106.14164	0.3
114.03184	0.3
128.08813	0.2
130.59639	0.2
137.09740	0.4
137.35486	0.3
161.36191	0.2
389.28641	0.4
421.27985	0.3
437.30606	6.5
438.30804	1.2
441.29889	0.5
453.30042	0.3
455.31628	4.9
456.31863	0.9
499.30865	0.5
517.31665	100.0
518.32007	18.8
518.39935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3171
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
50.79306	0.2
56.82093	0.2
59.01377	1.8
59.64860	0.2
60.99289	0.4
61.98831	1.1
67.49680	0.2
69.52467	1.4
71.01394	1.0
71.05019	0.2
71.79744	0.2
73.02944	0.5
74.56566	0.2
75.00879	0.3
85.02953	0.3
87.00877	0.2
88.14997	0.1
89.02464	0.3
96.96040	0.2
101.02470	0.5
113.02432	0.3
119.03471	0.2
121.02963	0.4
125.02377	0.2
130.59630	0.2
161.04535	0.2
166.26396	0.2
223.13457	0.2
237.14998	0.2
285.47308	0.2
311.13412	0.2
339.08881	0.2
355.24789	0.5
401.08530	0.2
421.27573	1.1
425.26862	0.4
437.30634	11.5
438.30997	1.8
441.30151	0.5
455.31686	7.1
456.32172	1.1
469.29648	0.2
471.31128	0.4
473.32928	1.6
474.33035	0.3
499.30493	0.7
500.31012	0.3
517.31677	100.0
518.32007	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	517.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03444	5.1
58.00599	0.9
59.01381	57.0
60.01693	0.7
60.24183	0.6
61.98824	4.6
68.41240	0.6
69.03461	1.3
71.01388	24.3
71.05041	1.4
72.99310	1.3
73.02954	9.2
75.00891	1.1
83.01401	3.7
83.05029	2.7
85.02966	10.9
87.00883	7.7
87.04527	1.9
89.02459	10.4
93.03519	0.7
95.01411	2.2
95.05047	1.1
97.03019	0.9
97.06618	1.5
99.00894	3.3
101.02457	20.6
101.06077	0.7
105.01932	0.8
105.05610	5.4
107.05074	4.1
109.06610	0.9
111.00925	1.6
113.02466	10.4
119.03541	4.1
119.05021	0.9
120.05823	3.0
125.02466	1.7
125.06078	0.6
131.03424	0.7
135.04559	2.5
135.08142	0.8
141.09258	4.4
143.03574	1.1
145.10237	0.8
147.06670	1.2
147.08194	0.7
152.04884	1.0
155.03516	0.7
157.06636	1.3
159.03024	1.8
159.08176	1.0
161.04597	8.7
161.09746	14.5
161.13396	7.6
162.10048	1.0
163.07680	2.2
163.11325	3.0
169.01512	1.2
179.05647	1.0
179.10797	1.7
182.02467	0.8
187.11314	18.7
188.11562	1.6
189.09229	12.1
190.09631	0.9
203.10887	0.7
205.12369	12.6
207.10274	12.4
208.10533	1.0
223.13356	4.9
248.33400	0.7
249.09801	9.6
249.11688	4.0
267.07455	1.8
267.10666	27.0
268.11063	1.3
301.63605	0.8
309.11783	3.9
347.05109	0.7
351.76212	0.7
373.15100	0.9
387.27643	1.1
457.24585	1.0
473.20248	1.0
493.30417	0.8
499.22189	1.3
517.22998	100.0
518.23334	15.0
518.29761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
57.03446	4.2
58.00595	4.1
59.01379	92.2
59.25297	0.5
60.01702	0.8
61.98832	8.8
62.05400	0.4
67.01894	0.6
68.99815	0.5
69.03464	2.5
69.59633	4.6
71.01386	99.1
72.01720	1.7
72.99316	4.7
73.02950	14.0
75.00875	1.1
80.98315	0.5
81.03484	2.5
83.01386	6.5
83.05052	0.7
85.02959	21.5
87.00881	5.1
88.98811	1.1
89.02453	100.0
90.02790	0.9
91.89999	0.5
93.03469	1.2
95.01404	4.5
95.05018	1.2
96.96013	0.7
97.02960	6.8
99.00890	11.4
101.02453	47.9
102.02779	0.9
108.02213	0.7
108.05830	1.6
109.02998	1.8
109.06599	1.6
111.00906	1.3
111.04520	0.7
113.02466	25.5
113.06079	2.5
114.02806	0.7
115.00460	0.6
116.92889	0.7
119.03527	8.0
119.05083	0.8
121.02963	0.5
121.06625	1.0
122.03786	1.5
123.00922	2.1
123.04545	0.9
123.08182	3.1
125.02464	26.1
125.06120	2.1
129.01967	4.0
131.03520	65.4
132.03880	2.1
135.04597	1.3
136.05325	2.1
137.02412	0.6
137.06137	1.1
138.06879	14.9
139.00414	0.7
139.04018	0.8
139.07675	6.1
143.03531	7.0
147.08160	1.0
149.04573	38.0
150.04962	0.7
151.00403	1.0
151.04105	0.6
151.07663	14.6
152.01154	0.7
152.04884	1.2
152.08452	32.9
152.27336	0.6
153.09233	65.9
154.09596	2.3
159.03029	2.3
161.02524	0.7
161.04576	19.4
162.04892	0.7
163.11296	4.8
165.09229	1.7
167.07133	1.5
168.00659	0.7
169.01445	3.4
173.04567	1.9
175.03912	0.6
179.05617	2.8
179.10675	0.5
187.11339	1.5
190.10036	2.6
191.05630	40.5
192.06004	1.6
205.12340	73.9
206.12659	4.9
211.02455	0.9
221.06596	0.7
223.13390	17.2
224.13750	1.5
233.06653	3.7
233.10367	1.6
251.07915	1.4
271.04663	1.0
293.08771	8.8
294.08978	0.6
313.05917	0.7
343.08075	1.2
365.14874	0.7
385.18677	39.6
386.19009	4.0
455.12018	0.9
517.23254	47.1
518.23584	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	517.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55510	1.0
55.01875	1.9
57.03447	11.6
58.00589	1.8
59.01381	100.0
60.01735	1.0
61.98837	10.8
69.03447	3.7
69.64691	3.1
69.65125	3.7
71.01386	41.2
71.05039	1.6
71.07877	0.9
72.99323	1.7
73.02953	11.3
75.00848	1.3
81.03466	1.1
83.01391	4.0
83.05039	3.2
85.02967	13.3
87.00874	6.5
87.04516	2.4
89.02461	27.8
93.03453	1.3
95.01399	3.3
95.05109	1.0
95.17292	0.8
97.02979	2.3
97.06587	1.4
99.00894	3.5
99.04535	1.6
99.05629	0.9
101.02457	26.6
105.05579	6.6
107.05051	1.8
107.66691	0.8
109.02919	0.9
111.00920	2.8
113.02453	15.1
117.05623	1.6
119.03511	3.1
119.05093	1.2
120.05851	1.8
123.00893	2.9
125.02477	9.5
125.06107	1.3
128.03555	3.1
129.01950	1.0
131.03502	5.0
137.09769	0.8
139.00406	1.4
139.04076	0.9
143.03523	2.9
143.04646	4.5
145.10207	1.0
147.06656	1.6
148.05328	6.7
149.04590	5.8
151.00418	1.2
155.10785	2.3
159.03029	3.0
159.04472	1.1
161.04594	10.2
161.09750	8.5
161.13387	5.0
162.10013	1.0
163.07690	3.7
163.11313	3.5
168.00702	0.9
169.01430	6.5
179.10744	5.0
179.14429	1.1
187.11290	11.3
189.09233	5.8
191.05634	2.3
203.10864	1.1
204.40768	0.9
205.12372	16.1
206.12764	1.3
207.10278	21.2
208.10652	1.4
223.13405	8.4
233.06586	1.3
249.09645	25.9
250.10210	1.2
254.07683	1.0
267.10773	37.1
268.11234	1.6
271.04675	1.3
272.08923	1.4
283.05167	0.9
293.08807	10.7
306.07660	7.1
309.12000	7.7
310.12085	0.9
373.15079	1.0
408.19455	0.9
473.10931	3.4
499.21948	4.0
499.32590	1.1
517.22900	92.9
518.23138	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	517.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	5.2
58.00595	1.6
59.01379	100.0
60.01717	1.2
61.98824	5.1
69.03467	4.0
69.55013	9.5
71.01387	64.0
72.36028	1.0
72.99306	3.7
73.02948	9.5
73.04697	0.9
76.67065	0.8
81.03466	2.2
82.24626	1.1
83.01385	4.8
83.05034	1.6
83.26754	0.9
85.02961	11.4
87.00877	7.2
89.02453	65.2
95.01401	3.6
97.02939	4.5
97.06576	1.2
99.00864	2.4
101.02455	20.1
105.01949	1.2
105.05582	1.9
107.05034	1.6
107.05774	1.0
109.02967	1.4
111.00877	1.5
113.02454	17.8
119.03493	6.2
123.00874	1.6
123.04530	1.7
125.02460	27.1
128.03548	1.0
131.02626	1.4
131.03522	13.5
134.06146	1.4
143.03488	3.0
143.04573	1.5
148.05310	24.7
149.04575	20.6
149.05632	0.8
151.07619	1.8
161.04593	4.9
161.09703	3.9
161.13359	3.2
163.03903	1.3
163.07645	11.5
163.11340	2.7
169.01468	3.3
173.04462	1.0
179.10793	1.5
187.11253	7.0
189.09219	3.6
191.05611	2.9
205.12270	5.5
207.10245	6.7
223.13310	2.1
233.06581	2.2
237.11275	1.3
249.09430	5.6
267.07162	2.9
267.10840	10.1
267.15973	1.2
293.08786	35.7
294.09134	1.9
294.54025	1.1
294.61578	1.0
306.07651	3.0
309.08447	1.3
309.11780	2.4
412.84839	1.0
473.20053	2.8
499.32657	1.2
517.23297	47.8
518.23090	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	516.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02690	0.6
59.01369	1.2
61.98835	9.3
64.42755	0.6
69.61811	0.5
69.70401	3.6
70.38747	0.5
71.01387	2.3
73.02959	0.7
83.01387	0.9
85.02927	1.6
87.00883	0.8
89.02455	0.7
95.01400	1.6
97.02949	0.8
99.00892	0.8
101.02440	1.7
107.01421	3.3
109.02979	0.7
111.00908	3.0
111.20657	0.5
113.02480	1.5
123.00908	10.9
124.01690	15.5
125.02476	27.7
125.03404	1.3
126.02840	1.4
127.00446	0.7
128.24654	0.5
136.98781	1.7
137.02419	0.6
138.03264	0.9
139.00432	3.4
139.04015	6.5
140.01244	2.8
141.01959	1.5
151.00377	6.9
151.04053	0.6
167.03560	0.6
168.00662	6.2
169.01451	34.5
170.01849	1.5
179.03622	0.7
183.03006	6.3
191.05577	1.0
211.02525	1.0
225.04117	1.1
232.99115	0.6
241.03662	0.9
253.03778	0.7
285.06125	1.4
297.06180	1.5
313.05670	8.4
314.05859	0.7
327.07260	1.9
328.08066	0.9
334.26834	0.6
405.34000	0.6
453.10391	100.0
454.10748	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	516.317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07699	3.0
56.02208	3.1
59.01376	4.2
59.46420	2.8
61.44251	2.7
61.98832	100.0
66.19615	2.5
71.05022	4.6
71.57409	2.8
71.73695	3.8
98.62093	2.9
110.62978	3.7
110.98367	2.8
128.25081	2.9
131.34767	3.1
170.72345	3.5
207.23820	3.5
222.20128	3.3
224.96880	3.0
281.28366	3.8
341.30545	34.8
342.31119	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	515.3012
Annotation	CHEBI:88298
Peak:m/z	Relative Intensity
55.30495	0.2
56.52220	0.3
57.03460	0.7
59.01383	1.1
61.98822	2.2
71.05027	3.2
97.06620	0.3
98.19849	0.7
100.36135	0.3
111.08243	0.3
120.70573	0.3
121.06618	0.3
123.08176	0.3
130.22011	0.3
173.09766	0.7
180.80312	0.2
189.12898	1.0
203.65880	0.3
245.40929	0.2
335.27310	0.3
371.27585	0.4
373.25217	0.3
373.29028	1.4
375.26938	2.7
376.27087	0.5
389.28586	0.8
391.30109	7.5
392.30771	1.3
393.28030	0.6
407.29492	4.0
408.30005	0.7
409.31070	1.0
425.30649	0.4
435.29144	1.8
436.29410	0.6
451.28491	1.9
452.28934	0.3
453.30093	100.0
454.30429	16.4
458.76221	0.3
471.31281	2.7
472.31665	0.6
515.30115	77.0
516.30444	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	515.3013
Annotation	Adynerin
Peak:m/z	Relative Intensity
53.98616	0.2
57.03431	0.2
59.01089	0.4
59.01378	8.3
60.81297	0.2
60.99296	0.3
61.98820	1.7
67.76141	0.2
70.88257	0.2
71.01386	2.9
72.99303	0.3
73.02956	0.6
83.01369	0.3
85.02964	1.3
87.00887	0.4
89.02457	2.2
99.00868	0.4
101.02464	2.4
104.91744	0.2
109.06676	0.3
113.02447	0.9
119.03504	0.3
119.08689	1.1
119.57381	0.2
121.06636	0.2
123.08090	0.2
125.02461	0.3
125.09707	0.2
130.96675	0.2
131.03482	1.2
137.57848	0.2
143.03464	0.3
149.04585	0.7
159.03128	0.2
161.04541	1.2
171.10283	2.2
191.05632	0.4
209.11850	1.4
239.02924	0.2
251.42023	0.2
278.92532	0.2
383.24490	2.0
384.24734	0.5
391.30014	0.5
407.29523	2.7
408.29889	0.3
411.28915	0.3
419.25571	0.5
425.30692	1.4
426.31299	0.3
435.29050	7.5
436.29465	1.0
439.28165	0.4
453.30051	8.0
454.30545	1.4
469.29504	0.2
471.31134	0.4
487.30435	1.5
497.29224	0.7
515.30078	100.0
516.30414	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	515.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71070	0.2
57.03451	0.2
59.01380	2.6
60.99306	2.8
61.98833	5.2
70.94485	0.5
71.01375	1.1
71.05016	0.2
72.01737	0.3
72.98200	0.2
73.02944	0.4
75.00894	0.2
79.95720	0.4
81.03490	0.3
83.05046	0.3
85.02916	0.3
87.00890	0.2
89.02444	0.9
96.96030	0.4
101.02454	0.9
103.63879	0.3
109.02930	0.2
111.00882	0.2
113.02443	0.3
119.10321	0.3
131.03465	0.2
149.04594	0.4
186.08450	0.2
221.15466	0.8
371.27612	0.4
377.28436	0.4
389.28607	1.1
405.28009	1.3
423.29126	0.9
424.29733	0.3
435.29276	0.5
441.29938	0.3
453.30124	3.5
454.30444	0.6
471.31223	0.5
485.29153	0.3
497.29004	1.0
515.30121	100.0
516.30475	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	515.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84325	0.1
55.79207	0.1
57.03424	0.2
59.01381	1.0
59.65556	0.1
60.99311	0.6
61.98832	1.8
63.48871	0.1
71.01385	0.6
71.05025	7.3
73.02637	0.1
73.02956	1.4
81.22980	0.1
83.01380	0.1
83.05027	0.5
85.02956	0.3
85.06586	0.7
89.02464	0.1
97.06606	0.2
101.02451	0.4
113.02465	0.2
119.08679	1.8
121.06628	0.2
125.01423	0.1
125.02383	0.1
131.03490	0.4
133.06578	0.1
157.10179	0.2
159.11743	0.2
161.04552	0.3
163.07654	0.1
169.10225	0.3
205.82249	0.1
243.17490	0.2
275.18149	0.3
277.19623	0.6
287.16486	0.9
289.19659	0.4
291.21060	0.2
293.19183	0.3
293.22632	0.2
305.22858	1.0
312.99927	0.1
323.23676	0.3
345.21863	0.1
375.27026	1.4
376.27234	0.2
383.24326	0.6
384.24887	0.2
391.30042	0.6
393.27817	0.7
397.27548	0.4
398.14078	0.1
405.24072	0.2
405.28525	0.2
407.29843	0.2
409.31247	0.6
416.22095	0.3
419.25906	1.9
420.26233	0.4
423.24527	0.6
423.29843	0.3
435.29050	5.2
436.29626	0.7
441.26224	0.6
441.31021	0.2
453.30112	6.7
454.30225	1.0
470.30316	0.2
471.31284	0.5
497.29056	0.2
515.30109	100.0
516.30469	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	514.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23603	0.5
55.61191	0.6
61.98833	100.0
71.46574	0.7
71.46912	0.6
75.00079	0.5
76.66038	0.5
84.48978	0.5
96.96058	0.7
134.28316	0.6
168.03661	0.5
222.19182	0.5
515.30670	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
55.64164	0.8
57.03442	3.1
58.00592	2.4
59.01380	54.6
63.76994	1.0
69.50443	2.1
69.50858	5.2
71.01388	43.4
72.99303	2.5
73.02953	3.6
75.00871	3.0
83.01388	3.8
85.02968	7.0
85.06602	1.4
87.00894	4.5
89.02456	46.0
93.03459	2.9
95.01395	2.5
98.20631	2.0
99.00902	6.4
101.02458	19.1
111.00907	3.1
111.04490	2.6
112.87349	0.9
112.98826	18.6
113.02467	13.7
115.00392	2.6
119.03522	17.8
120.99818	0.8
124.98804	1.5
125.02476	1.0
129.01945	3.2
129.05614	2.8
131.03511	2.4
137.02431	2.1
142.99887	14.6
143.03525	3.9
145.01451	2.5
149.04581	1.9
155.03575	1.5
161.04562	5.9
169.01358	1.0
173.00932	12.8
173.04558	13.6
173.08182	1.5
175.02481	1.5
179.05635	21.0
180.05980	1.2
191.01965	1.5
209.06699	2.6
323.13452	6.7
327.85968	0.9
341.10898	100.0
342.11282	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	514.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23915	0.7
52.50594	0.6
57.03443	0.8
58.00595	0.8
59.01381	15.4
60.03584	0.7
61.98833	100.0
63.96257	0.7
63.99289	0.7
65.00333	0.7
65.93096	0.7
67.01909	0.8
69.03440	0.7
71.01393	10.0
71.71851	1.0
72.99322	1.5
73.02952	3.1
74.99094	1.1
78.91923	0.7
79.01907	0.8
79.73066	0.7
81.03436	0.7
83.01403	1.9
85.02957	5.3
87.00875	4.0
88.98811	1.5
89.02440	5.7
93.03487	0.7
95.01408	3.1
96.96033	1.0
97.02963	1.3
101.02455	5.7
107.01422	4.2
107.83000	0.7
108.02218	4.4
108.32558	0.7
109.02988	3.6
111.00894	3.9
113.02467	4.6
113.06073	0.8
119.03528	2.4
119.05032	8.7
120.99686	0.7
121.02950	5.1
123.00900	11.9
123.04575	1.1
124.01695	2.3
124.98149	0.8
125.02457	22.6
131.03513	1.0
132.99637	1.4
133.02969	0.8
135.04572	1.6
136.05301	1.3
136.98891	1.3
137.02495	1.4
137.06137	1.0
138.01990	14.5
139.00415	3.6
139.04041	2.0
140.01172	2.6
141.02042	0.9
145.02936	0.7
147.04550	7.7
149.02451	0.9
150.03166	1.9
151.00455	7.5
151.03984	1.0
152.01231	4.1
153.01904	2.8
153.09254	1.3
154.02238	0.8
160.04071	4.4
160.95682	17.6
160.96935	1.2
161.02454	1.3
161.04605	1.6
161.06136	0.7
163.00426	0.8
163.03999	1.3
163.06097	1.0
164.04836	0.8
165.01933	1.0
165.05605	2.1
165.09280	0.7
167.03540	1.6
168.00659	7.2
169.01440	34.7
170.01810	1.5
173.02512	1.1
173.11821	1.0
175.04219	0.7
181.05109	1.0
189.01895	1.1
190.02724	1.9
191.03513	1.7
193.01567	1.0
195.06683	2.5
201.01920	1.4
202.02722	1.0
203.03523	1.7
205.01491	1.0
205.05174	1.0
205.12285	0.9
209.06042	0.7
211.02484	20.6
212.02853	1.2
217.01576	0.8
229.01340	2.1
231.03058	1.4
241.03459	1.2
245.00970	1.6
247.02507	1.2
248.03116	1.0
249.04045	2.3
257.00937	1.7
261.00467	1.0
267.33868	0.8
271.04590	26.7
272.05014	2.2
273.00351	1.7
274.01245	1.7
275.01984	10.5
288.09598	0.9
299.99133	1.7
300.99878	7.3
302.00354	1.0
307.10416	1.0
313.05713	10.5
321.19247	1.7
348.22766	0.8
353.19763	1.3
385.11621	1.0
424.01062	0.9
451.12454	76.0
452.07599	12.1
452.13129	6.8
453.23553	1.7
454.23911	2.6
455.15628	1.0
456.01468	1.1
456.51743	4.3
457.02316	2.3
465.02148	1.7
465.52448	16.2
466.02707	6.9
513.27094	4.6
514.05542	1.9
514.19757	7.0
514.27869	8.3
515.22015	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	514.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.1
61.98832	22.8
67.01897	0.9
68.99814	0.4
69.75540	2.8
71.01386	4.1
72.99320	0.6
74.99074	0.4
75.00871	0.4
79.01917	0.5
83.01385	0.9
83.68351	0.4
85.02964	1.3
87.00903	0.9
89.02447	2.2
93.03481	0.8
95.01378	2.4
96.96021	1.2
97.02947	0.9
101.02454	2.6
107.01424	2.3
108.02190	0.6
109.02948	1.1
111.00906	2.3
113.02448	1.3
119.03548	0.4
119.05036	1.7
121.02977	0.8
122.03760	0.6
123.00905	11.8
123.04522	0.5
124.01694	1.1
125.02469	13.9
125.23790	0.4
126.02849	0.6
127.00409	0.6
131.03452	0.4
131.85344	0.4
133.03000	0.6
134.03764	2.1
135.04538	1.0
136.01677	2.3
136.98862	0.9
137.02458	1.8
137.06160	0.6
139.00374	4.0
140.01187	3.1
141.01962	1.8
145.02940	0.8
147.04594	0.7
149.02484	1.3
149.06110	1.2
150.03242	4.9
150.99176	0.5
151.00385	8.9
151.01544	0.6
151.04002	3.8
152.00943	0.4
153.01933	1.3
153.99756	0.4
154.99771	0.4
155.64413	0.4
157.68025	0.3
163.04062	0.6
165.01982	0.6
165.05573	4.8
166.45279	0.4
167.03572	0.8
168.00635	4.0
169.01442	21.5
170.01807	0.9
173.04594	1.0
175.04045	0.5
177.01956	0.7
179.03488	0.8
180.04138	0.5
181.05040	0.4
195.06604	3.3
203.03455	0.4
211.02477	3.8
213.05624	0.4
217.01552	0.7
229.01460	0.8
241.05049	4.5
245.00964	0.6
255.06628	0.9
256.07431	3.4
257.04465	0.5
258.08551	0.4
271.04605	3.5
271.09695	6.8
274.01254	0.7
275.01877	2.6
277.01044	0.4
279.22839	0.4
285.07703	0.5
295.06088	0.9
297.07791	0.8
299.09323	1.6
299.99094	0.4
301.00006	2.4
313.05652	1.9
319.11850	0.9
405.59769	0.4
407.14236	0.4
427.02957	0.4
451.12527	100.0
452.12866	12.1
456.51874	1.5
465.02051	0.5
465.52457	2.4
466.02713	1.5
467.17130	4.1
514.17389	0.5
514.56836	0.5
515.17865	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	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
58.00586	0.2
59.01377	5.6
60.01724	0.1
61.98825	0.1
69.03464	0.1
69.60275	0.3
71.01384	4.7
72.01731	0.1
72.99303	0.3
73.02949	1.0
73.03329	0.1
75.00865	0.1
83.01389	0.5
83.05038	0.2
85.02956	0.8
87.00882	0.6
89.02449	3.3
90.02806	0.1
91.04020	0.2
93.03477	0.0
95.01393	0.4
97.02938	0.2
97.06585	0.1
99.00870	0.2
99.04539	0.1
101.02452	4.5
102.02762	0.1
103.04044	0.1
112.01698	0.1
113.02461	2.1
113.06077	0.1
115.04018	0.1
119.03508	0.9
125.02473	0.2
127.03972	0.1
127.07648	0.2
131.03593	0.2
133.05104	0.3
141.09276	0.1
143.03520	0.4
145.05061	0.1
149.04610	0.1
157.05049	0.1
161.04579	1.6
162.04906	0.0
179.05641	0.5
182.13208	0.1
187.06226	0.1
197.11777	0.1
205.19675	0.1
233.22803	0.3
235.08211	1.3
236.08504	0.0
253.09270	16.5
254.09637	0.9
259.20593	0.4
275.20084	0.3
276.20428	0.1
277.21701	100.0
278.22037	9.7
291.23193	0.1
303.61993	0.0
497.31406	0.0
513.35956	0.8
514.36395	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	Tricalysioside J
Peak:m/z	Relative Intensity
59.01377	21.2
61.98830	23.0
69.03458	3.4
71.01393	10.9
71.05011	1.2
71.76498	1.3
71.92600	1.0
73.02956	3.0
80.96509	1.6
81.03448	1.5
82.96146	1.1
83.01411	3.0
83.05034	1.0
85.02955	5.7
87.00883	2.1
87.04519	1.7
87.34542	0.8
88.72357	0.9
89.02466	5.8
95.01404	2.4
96.96037	1.6
97.02957	2.9
99.04585	2.0
101.02444	8.4
107.01375	1.7
108.02227	1.1
109.02956	2.0
111.00909	1.3
111.04499	1.5
111.08177	1.8
113.02467	6.1
121.02962	1.6
123.00904	9.9
123.04520	3.4
123.08232	2.1
124.01682	15.0
125.02469	41.7
131.03456	0.9
135.04587	0.9
135.08185	3.4
137.02493	2.6
137.06096	1.6
137.09740	1.8
139.00453	1.4
139.04013	1.8
140.01155	1.0
141.09163	1.1
143.03493	1.1
145.05135	0.9
149.02214	0.8
149.04744	1.1
149.06090	4.1
149.99605	19.9
150.06886	78.4
151.00391	6.3
151.07280	2.8
152.01184	1.1
153.05585	3.3
153.09195	2.0
155.10803	6.0
161.04541	1.5
161.09776	1.6
163.07677	15.2
164.08440	16.6
165.01881	1.3
165.08943	1.0
168.00661	47.1
169.01460	18.7
169.12366	1.2
171.10287	21.8
176.08371	1.2
177.09250	1.7
178.10033	2.1
179.10800	50.0
180.11115	3.1
181.12315	0.9
187.09850	1.4
191.94009	1.0
199.13486	0.9
211.02528	2.9
217.10786	2.4
263.07483	1.6
271.04480	1.3
313.05710	1.4
315.10907	1.0
318.18378	1.5
321.19153	4.9
332.20135	2.1
333.20798	5.9
336.19449	9.7
350.21060	11.1
351.21762	68.3
352.22058	5.8
361.18738	4.6
375.21796	3.6
397.19687	1.1
419.17981	2.5
422.99203	0.9
425.12732	1.5
435.23956	0.9
437.18719	1.3
453.17621	0.9
453.23401	3.3
477.23322	3.1
481.18024	1.5
513.16296	59.4
513.27106	100.0
514.16644	6.5
514.27356	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	513.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
57.03434	1.9
58.00589	0.8
59.01380	35.9
60.01719	0.6
61.98827	7.4
66.87033	0.4
69.03469	0.6
69.41412	3.7
69.41827	0.9
71.01386	35.1
72.99314	1.3
73.02952	12.4
75.00880	1.4
81.03442	0.8
83.01402	5.7
85.02954	15.9
87.00892	2.7
88.98811	1.0
89.02451	7.9
93.03489	0.5
95.01402	2.6
95.23452	0.5
97.02930	1.2
98.01952	0.5
99.00891	5.4
99.04552	0.5
101.02453	32.4
102.02801	0.7
104.68122	0.4
108.00316	0.5
111.00893	1.0
113.02459	14.9
115.03938	0.6
119.03527	2.0
121.02953	0.5
123.00891	0.7
124.01723	0.6
125.02455	2.9
128.67503	0.4
129.01967	0.6
130.74954	0.4
131.03514	3.2
136.78310	0.4
137.02461	0.7
143.03510	2.9
147.28094	0.5
149.04555	1.7
159.02998	3.5
161.04573	13.9
162.04842	0.5
165.05533	0.7
168.00526	0.7
169.01404	1.5
187.58385	0.4
191.05679	1.0
215.05698	0.6
233.06566	0.7
259.48758	0.4
263.07465	1.9
293.08640	1.1
307.40042	0.5
321.19180	100.0
322.19479	7.9
376.80325	0.5
406.52045	0.5
437.19141	1.0
453.23395	30.5
454.23685	3.9
513.18103	2.5
513.29535	1.6
514.10187	0.6
514.18054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.3
59.01381	7.2
60.72807	0.3
61.98835	13.0
69.03470	2.1
69.48184	2.9
71.01403	2.6
71.05014	0.4
73.02961	0.8
74.18423	0.3
81.03479	1.2
83.01396	1.2
85.02975	1.2
87.00920	0.6
87.04544	0.4
89.02460	1.0
90.93427	0.3
93.03452	0.4
95.01400	1.9
95.05058	0.4
96.96024	0.7
97.02945	2.5
97.06601	0.4
99.00884	0.6
101.02450	1.7
101.95422	0.3
107.01418	1.2
107.05035	0.6
108.02179	0.9
109.02969	1.1
113.02462	1.0
118.99236	0.3
119.03516	0.6
121.02915	0.4
121.06526	0.3
123.00909	7.0
123.04574	0.3
123.08114	0.4
124.01685	28.0
125.02469	36.6
126.02794	0.8
129.09282	0.4
134.26634	0.3
135.04546	0.8
135.95895	0.3
137.02467	2.3
137.09714	0.6
139.00374	0.6
139.04004	0.5
141.09215	0.4
145.02982	0.8
149.02402	0.4
149.45966	0.3
149.99608	27.5
151.00406	7.0
151.03970	0.4
161.02548	0.3
161.04562	0.9
163.03955	0.4
165.01849	0.3
167.03516	1.3
168.00662	53.8
169.01431	7.8
169.05139	0.3
170.01765	0.4
178.46706	0.3
179.03519	0.6
189.09242	0.5
193.01411	0.5
199.13399	0.7
201.01881	0.3
203.99725	0.3
210.69742	0.3
211.02536	0.6
226.28716	0.3
258.66064	0.3
291.19711	0.6
295.04672	0.4
313.05695	1.3
323.05685	0.5
351.05219	0.9
351.21774	0.8
437.18805	0.4
453.24133	1.0
469.31604	0.9
477.29727	0.4
513.19696	100.0
514.20044	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	513.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.2
56.39978	0.7
57.03454	0.8
57.21097	0.7
58.00574	1.0
59.01380	40.8
61.98823	1.6
69.71071	4.8
71.01388	25.5
72.99300	1.9
73.02943	2.5
80.05038	2.4
83.01385	2.7
84.20831	0.7
85.02962	5.4
87.00467	0.6
87.00890	5.5
89.02453	16.8
90.02817	1.0
94.06615	1.1
95.01402	2.8
95.24819	0.9
98.19900	1.6
99.00880	1.3
101.02457	15.2
105.04569	0.7
108.04528	1.8
113.02463	8.1
119.03529	8.4
119.39382	0.7
120.04610	1.0
121.05350	6.1
122.06151	10.8
123.00899	2.0
125.02483	4.2
132.04581	1.1
136.04050	2.0
136.07683	2.4
137.02463	0.8
138.05635	5.3
139.08716	0.8
140.07173	1.6
143.03514	1.3
144.08243	0.9
148.04048	3.8
149.04756	2.2
150.05627	4.3
153.01886	1.0
154.02705	1.0
155.03580	1.4
158.06146	1.0
159.06918	2.0
160.11299	0.8
161.04675	1.0
165.04298	3.5
166.05099	4.8
169.01431	2.2
173.08463	1.5
174.05692	1.0
174.09058	0.8
174.12907	2.8
175.04083	1.7
175.06421	0.9
177.01866	1.4
179.05655	1.7
184.11337	3.6
186.09300	0.9
188.07190	3.6
189.07954	2.1
191.03397	1.4
200.10832	1.7
202.12367	7.5
203.03511	1.7
204.06703	6.5
213.01962	0.8
213.06656	2.2
214.07434	1.4
215.05632	0.8
216.06636	5.9
216.08897	1.7
217.07385	4.8
218.08159	1.6
227.08183	1.3
228.10254	3.3
229.01418	1.6
229.09775	8.2
231.03047	3.0
231.09155	1.7
231.11372	26.2
232.11647	2.4
238.07494	1.2
241.06413	0.9
242.10493	1.0
243.11252	1.6
245.00790	1.1
246.11339	9.6
247.02487	1.3
247.11082	1.5
248.03201	2.5
249.04037	9.2
253.09915	2.6
255.11383	1.2
270.10049	3.5
271.10861	31.4
272.11313	2.3
273.12564	1.0
274.01251	1.5
275.02078	3.9
275.10147	0.8
291.45740	0.8
300.99896	4.6
312.88379	0.8
316.08112	0.9
328.10339	1.6
330.11752	1.2
346.11575	3.5
372.09323	1.4
390.10654	2.2
397.13849	6.1
408.16367	1.2
426.17645	2.7
433.16193	2.5
451.17209	30.2
452.17426	4.0
457.02737	0.9
469.18225	9.3
470.17828	2.2
492.04556	0.9
495.16302	7.2
513.17255	100.0
514.17499	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	513.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	1.7
56.07347	1.1
57.03463	1.4
57.30921	1.1
58.00605	1.5
59.01082	2.2
59.01378	36.3
61.98822	4.3
71.01388	23.6
71.20060	1.5
72.01707	1.2
73.02948	3.1
75.00883	2.4
76.00485	1.3
80.05081	1.1
81.38698	1.0
83.01389	1.5
85.02969	6.4
85.06607	1.7
87.00890	4.5
89.02454	16.0
95.01402	2.9
99.00911	1.7
101.02457	16.6
109.02976	1.5
113.02470	10.0
119.03529	7.3
121.05360	3.6
122.06136	8.2
123.00871	2.0
125.02450	4.4
126.90398	2.4
127.03033	1.3
136.07704	2.8
138.05629	3.2
139.00345	1.5
148.04030	2.0
149.04802	3.6
150.03230	1.9
150.05630	3.2
158.06128	1.4
159.06805	1.2
161.04707	1.6
165.04344	2.7
166.05138	3.3
169.01465	4.1
172.07735	1.2
173.08389	1.1
184.11383	3.8
188.07227	3.7
189.07860	1.5
195.06842	1.3
202.08707	1.4
202.12379	7.2
204.06691	4.2
216.06636	2.7
216.08853	1.4
217.07404	2.9
227.08275	1.5
228.10373	2.2
229.09866	5.5
230.08221	1.6
231.09145	2.3
231.11346	18.3
237.06198	1.4
243.11491	2.2
246.11241	7.9
253.09860	2.3
270.10019	2.7
271.10883	23.9
272.11237	1.4
300.99908	1.4
346.11545	3.6
390.10355	2.1
397.13867	4.6
408.16327	1.2
426.17841	2.3
451.12115	2.9
451.17389	23.3
452.17773	2.8
465.52518	1.6
469.18271	6.0
495.16202	7.0
496.17401	1.3
513.17230	100.0
514.17517	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	513.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12716	0.5
59.01380	7.9
59.37485	0.4
61.98831	11.3
69.03467	2.8
69.37889	2.7
69.38313	2.6
71.01395	5.0
73.02956	2.3
81.03453	0.7
83.00925	0.5
83.01367	2.4
85.02940	3.0
87.00878	0.9
87.04538	1.2
89.02455	2.0
93.03503	0.5
95.01405	1.9
96.96021	0.8
97.02968	3.4
99.04555	1.3
101.02453	3.2
107.01424	1.7
107.05045	0.7
108.02179	1.2
109.02973	1.4
109.06610	0.9
111.00922	0.9
111.04498	0.6
111.08193	0.6
113.02437	3.5
119.03609	0.5
119.05076	0.5
121.02979	1.1
123.00902	7.8
123.04545	1.9
124.01685	18.8
125.02468	44.7
126.02805	1.5
127.11336	0.8
131.03513	0.6
135.04559	0.7
135.08203	2.0
136.01695	0.8
136.05295	0.9
137.02470	2.0
137.06143	0.6
137.09760	2.0
139.00377	0.8
139.04033	1.0
139.07722	0.9
139.11324	0.9
149.02386	0.6
149.06122	3.5
149.98695	0.7
149.99603	26.2
150.06885	48.8
151.00441	4.1
151.07297	2.3
151.11316	0.8
152.01115	0.6
153.05589	2.0
153.09209	1.5
154.02715	0.5
155.10803	7.7
161.04651	0.6
161.09758	1.8
163.07658	10.0
164.08455	11.2
165.08870	1.0
167.03516	1.7
168.00659	59.1
169.01439	14.7
169.05151	0.5
169.12361	1.6
171.10294	14.5
172.10631	0.9
176.08469	0.9
177.01965	0.7
177.09071	0.5
178.10020	1.4
179.03505	0.9
179.10793	34.7
180.04172	0.5
180.11140	1.7
181.08713	0.7
187.09784	0.8
191.03574	0.9
193.01544	0.7
195.10249	0.7
199.09801	1.9
199.13339	0.9
211.02386	1.1
217.10820	1.7
263.07465	2.7
292.10907	0.5
292.20322	0.6
300.99814	0.8
307.11954	0.9
313.05734	1.3
315.10977	0.8
315.19717	0.9
318.18399	1.2
321.19113	1.3
331.07034	0.7
333.20688	4.9
336.19434	5.6
337.19678	0.6
349.12891	0.6
350.21005	8.1
351.21774	42.4
352.22095	5.4
361.18640	2.3
375.21771	1.7
393.22629	0.7
404.49054	0.5
425.13077	0.8
453.23444	1.6
469.16968	0.9
469.32199	0.9
477.23264	0.6
513.16156	100.0
513.27094	65.8
514.16492	15.7
514.27557	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	512.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
61.98832	49.4
66.15917	0.5
67.01896	0.5
69.79719	2.8
71.01374	2.8
72.21314	0.5
72.99303	0.7
73.02935	1.5
83.01372	0.8
85.02985	1.0
87.00888	0.6
88.98808	1.0
89.02483	0.8
93.03451	1.1
97.03025	0.4
98.20576	1.0
101.02442	1.8
107.01414	0.5
108.02181	0.9
108.04547	0.6
108.10382	0.5
108.68911	0.4
110.06129	3.6
111.00922	0.9
113.02452	0.5
116.05151	0.5
117.58961	0.5
122.06139	4.5
123.00913	0.8
124.07717	1.0
125.02454	2.2
132.04517	0.7
135.04559	1.3
137.02451	1.2
138.05603	0.5
144.04567	2.4
146.06151	1.1
150.05597	0.9
151.00443	1.7
152.01161	1.0
153.01982	1.3
160.04057	1.6
161.04620	1.0
162.05577	1.0
168.00641	0.9
169.01480	3.3
172.04025	1.2
173.04756	1.4
174.01956	0.7
174.05615	1.4
176.07201	1.0
182.04625	0.8
182.07471	0.5
188.03564	0.7
190.05025	0.7
203.05782	0.9
204.02943	0.6
204.06676	2.9
211.08812	0.8
212.05888	1.8
220.06038	0.6
223.08754	1.3
224.73141	0.5
225.06801	1.1
227.08170	0.5
227.11882	1.1
237.10332	1.8
239.08189	3.3
240.08795	0.8
241.06210	0.7
241.09810	1.4
245.09268	1.7
251.08218	0.7
251.11855	3.0
252.12660	1.7
253.06210	2.2
253.09676	3.3
254.10602	0.8
255.07603	0.9
255.11292	1.5
265.06201	0.9
265.09979	0.6
266.06921	0.7
267.07700	5.1
267.11224	2.9
268.08368	1.7
268.12036	1.5
269.05646	0.9
269.09183	1.5
269.12708	1.0
271.04602	0.6
271.10989	0.8
279.07846	1.3
279.11102	0.8
280.08420	1.3
281.09296	5.6
282.10071	1.8
283.07428	1.3
283.10974	1.4
284.07928	0.5
284.11206	0.5
285.08600	0.8
285.12347	1.1
293.09299	1.0
294.10114	1.7
295.10834	6.0
296.08194	0.4
296.11609	12.1
297.08807	3.0
297.12128	1.9
299.10330	2.4
300.11087	2.4
301.08484	0.7
311.10364	4.4
312.11145	1.6
313.11917	1.8
321.19034	0.7
325.11902	0.7
327.13531	0.5
328.10678	4.7
328.14197	0.8
329.11243	3.0
330.12036	0.6
340.10678	0.6
343.12997	1.3
344.13910	1.0
360.13580	0.6
374.18900	1.5
376.13055	0.8
387.11865	1.1
388.12811	0.6
392.20074	0.9
403.15170	0.7
406.17691	2.7
416.16068	0.7
418.17712	12.9
419.17923	2.1
436.18802	15.6
437.19266	1.5
444.15579	1.0
450.20392	0.8
462.16812	3.6
468.21130	1.4
474.13922	0.7
480.17719	16.3
481.18015	2.0
482.19479	0.9
494.19333	3.9
512.20355	100.0
513.20258	20.6
513.27289	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	512.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.7
59.01623	0.5
61.98832	35.2
70.59618	1.2
71.01379	2.6
83.01389	0.8
85.02949	0.9
87.00875	0.8
89.02448	0.9
91.14256	0.6
94.81065	0.5
95.01388	0.6
96.96056	0.7
101.02457	1.4
108.04565	0.7
109.02954	0.6
110.06104	2.5
113.02421	0.6
122.06136	6.1
123.00889	1.0
123.04533	0.8
124.07680	0.9
125.02438	2.2
137.02487	0.9
138.09361	0.7
144.04543	2.0
146.06099	1.0
151.00496	0.9
152.01184	1.1
160.04031	1.7
161.04729	0.5
162.05637	0.8
169.01427	2.6
172.04019	1.5
173.04768	1.5
174.01898	0.9
174.05542	1.2
176.07141	1.0
188.03586	1.2
190.05054	0.9
199.05154	0.7
203.05830	1.0
204.06653	2.6
208.19142	0.5
211.08702	0.6
212.05861	0.9
223.08792	0.7
225.59734	0.6
225.91864	0.5
227.11963	1.2
236.09558	0.8
237.10280	2.1
239.08244	2.1
240.08911	0.9
241.09735	0.7
245.09299	1.8
251.11917	2.0
252.12668	2.3
253.06183	1.4
253.09756	2.8
254.10648	0.7
255.07765	0.7
255.11414	2.0
265.06000	1.0
267.07779	4.9
267.11160	3.5
268.08469	2.3
268.12094	2.2
269.09369	1.7
269.12961	1.6
271.10910	1.2
273.65823	0.6
279.07898	1.2
280.08533	1.3
281.09332	6.4
282.09860	0.9
283.07431	0.8
283.10696	1.2
284.11368	0.7
285.08994	0.9
285.12491	0.7
294.10065	1.1
295.10867	6.7
296.11642	10.8
297.08801	3.6
297.11905	1.3
298.09641	1.0
299.10287	1.8
300.11133	1.6
311.10309	3.1
312.10916	1.6
313.11874	1.7
325.12067	1.0
327.13495	0.8
328.10617	5.2
329.11340	2.9
340.10608	1.5
343.12924	1.3
344.13846	0.7
374.18832	1.8
375.17227	0.7
376.12643	0.7
387.12064	1.0
388.12909	1.1
392.19962	1.0
406.17731	2.4
418.12604	1.0
418.17764	11.2
419.18018	1.0
420.15753	0.7
436.18817	16.2
437.18915	1.3
444.15683	0.8
462.16513	3.2
468.21716	0.7
480.17813	15.5
481.17993	1.1
482.19360	0.8
494.19299	3.4
512.20367	100.0
513.20441	14.9
513.27240	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	512.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85496	0.4
55.01855	0.4
59.01376	1.6
61.98831	10.6
64.24535	0.4
71.01379	1.4
73.02957	0.5
85.02939	0.4
87.00901	0.7
89.02428	0.5
98.20630	1.1
101.02474	1.1
109.02962	0.9
110.06121	1.8
113.02461	0.4
120.99609	0.4
121.05321	0.8
122.06140	3.7
123.00900	0.8
125.02470	1.4
144.04555	3.3
146.06154	0.9
151.00626	0.8
152.01157	0.6
153.01912	0.7
160.04008	1.6
161.04800	2.4
162.05624	1.5
169.01503	0.9
172.04062	2.2
173.04797	1.8
174.05615	1.0
175.06152	0.5
179.05650	0.5
188.03546	0.7
189.04312	0.9
203.05865	1.7
204.06677	5.0
211.08798	0.7
212.05891	5.2
212.09381	0.5
213.10538	0.4
223.08751	0.6
225.06679	1.4
227.11891	1.1
228.12643	0.8
236.09557	0.6
237.10309	5.1
238.08832	0.5
239.08237	4.3
239.11899	0.6
240.09044	1.4
241.09779	1.2
251.11873	2.3
252.12636	3.6
253.06203	4.2
253.09726	3.4
254.10535	1.3
255.11372	1.7
264.08969	0.6
265.06039	0.6
266.06976	2.0
267.07736	7.1
267.11304	2.7
268.08545	3.4
268.11963	3.5
269.09238	0.9
269.12891	1.4
279.07898	0.9
279.11230	0.6
280.08560	2.9
281.09314	11.1
282.09811	0.9
283.10950	0.5
285.08829	2.0
285.12283	0.8
294.09976	0.6
295.10904	7.4
296.11639	17.6
296.15005	1.0
297.09140	0.5
297.12024	2.3
299.10339	2.9
300.10974	2.4
310.09546	0.7
311.10364	2.5
312.11209	0.8
313.12076	2.1
325.11850	0.4
327.13635	0.9
328.10641	4.7
328.14264	1.1
329.11224	1.5
340.10681	1.5
340.15256	0.4
343.13138	1.1
360.13354	1.0
362.18939	0.7
371.12619	0.5
372.13251	0.6
374.18753	1.9
387.12018	1.8
406.17722	1.8
418.17773	6.6
436.18747	6.3
437.18939	0.5
449.20230	1.2
450.20792	1.0
462.16605	1.4
468.21497	0.7
480.17795	10.3
481.18164	1.1
494.19394	4.3
512.20349	100.0
513.20721	12.6
513.27637	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	512.126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01382	5.1
61.98549	0.5
61.98838	5.6
67.01888	0.4
69.03451	0.7
70.59574	0.4
71.01389	5.7
71.25266	0.4
72.99320	0.9
73.02962	0.8
75.00863	0.7
79.01904	0.6
83.01392	0.8
85.02963	1.7
87.00888	1.1
88.98817	0.6
89.02461	3.7
95.01398	1.6
96.96010	0.7
97.02953	0.9
101.02465	3.8
104.84081	0.4
105.01929	1.2
107.01408	2.7
107.65973	0.4
109.02960	0.5
111.00903	1.0
113.02487	2.2
114.05643	0.6
119.03499	1.3
122.06100	0.8
123.00897	11.2
125.02470	15.2
126.02819	0.6
135.06638	1.2
136.98769	0.7
137.02466	0.5
139.00380	2.9
140.01189	1.1
141.01935	1.3
143.03456	0.4
151.00385	8.8
152.00725	0.5
153.01958	0.9
156.06693	0.8
160.04160	0.5
161.04572	0.6
163.04013	0.6
166.05020	0.5
168.00687	2.3
169.01447	24.3
170.01753	1.8
179.03476	0.4
181.04965	0.5
204.06602	0.4
210.05489	0.4
211.02518	4.1
216.06866	0.6
229.09824	0.6
231.11386	1.6
253.03479	0.4
271.04590	7.6
271.10864	1.6
272.04840	0.5
275.02057	0.4
296.17072	0.4
298.08646	0.4
300.99835	1.3
313.05643	3.8
314.06262	0.7
327.81461	0.4
350.87531	0.4
363.18301	0.4
386.52823	0.4
423.09412	0.5
449.13000	100.0
450.13379	9.5
451.17157	2.0
471.29639	0.4
477.12494	7.4
512.11194	2.0
513.10138	0.6
513.17242	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	512.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04855	0.4
59.01379	4.8
61.98836	4.5
70.29449	1.9
71.01389	3.8
72.99306	0.6
73.02922	0.9
75.00856	0.4
79.01917	0.5
83.01398	0.6
85.02963	2.0
88.98837	0.9
89.02436	2.9
90.59011	0.4
95.01404	1.5
101.02464	2.8
107.01411	2.7
111.00901	1.4
113.02457	1.7
119.03510	1.1
121.02896	0.7
123.00904	9.6
123.04540	0.4
125.02468	14.3
126.02819	0.7
126.67585	0.4
130.28648	0.4
135.06650	1.3
136.98869	0.5
137.02405	0.5
139.00354	3.3
140.01141	1.5
141.01953	1.3
149.02576	0.5
151.00394	7.9
153.01941	0.8
156.13550	0.4
163.04021	0.6
168.00668	1.9
169.01445	24.2
170.01779	1.2
192.42366	0.4
201.01840	0.4
208.46346	0.4
211.02527	5.2
232.34218	0.4
249.03975	1.2
253.03481	0.7
262.84033	0.4
263.14438	0.5
269.06747	0.5
271.04575	10.5
271.10968	1.0
272.04865	0.9
275.01810	1.0
301.00012	0.9
313.05704	3.4
314.06033	1.1
331.06604	0.8
423.04706	0.5
436.09717	1.0
442.87222	0.4
449.12994	100.0
450.13354	11.3
451.17325	0.6
465.67761	0.4
489.73718	0.5
512.11078	2.2
513.10803	0.4
513.17633	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	512.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11765	1.7
59.01381	81.3
60.01727	2.4
61.98833	86.9
71.01385	13.8
71.75544	2.8
72.99329	1.6
73.02948	5.1
81.03500	1.7
81.32819	1.6
83.01398	2.6
83.05051	5.1
85.02962	4.9
87.00878	2.6
89.02464	8.4
92.16962	1.4
93.26952	1.3
93.72955	1.4
95.01395	1.9
96.49660	1.2
97.02967	1.8
99.00874	3.4
99.04495	1.9
101.02470	11.6
108.02203	2.6
109.02979	2.9
113.02466	5.3
119.03470	1.4
125.02457	6.0
131.03551	3.3
136.98997	1.9
149.04622	1.7
151.00529	4.5
153.01891	2.0
156.00627	2.2
161.04526	3.8
169.01414	5.8
207.13940	3.3
209.11839	5.9
225.14972	5.1
227.12877	38.5
251.12840	2.2
269.13950	10.5
281.12347	1.9
287.14999	100.0
288.15311	5.3
319.17624	4.1
320.17944	7.1
321.19482	7.3
323.13547	2.4
329.16098	3.2
349.26001	2.6
389.18112	9.1
389.37506	1.5
433.31445	2.5
436.18692	2.1
449.10852	3.2
449.20282	39.0
450.20615	4.0
451.22513	1.6
451.32947	26.7
452.22363	5.0
452.33292	24.9
453.23325	5.6
480.17642	7.4
512.11432	1.5
512.19867	2.7
512.31915	2.0
513.19434	14.4
513.27313	8.0
538.66467	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	512.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92342	0.5
59.01379	4.4
61.98834	14.8
70.22956	1.0
70.23370	1.7
71.01403	0.8
73.02958	0.6
83.01395	0.6
85.02921	0.6
87.00889	0.8
89.02464	0.6
98.19884	0.7
100.98058	0.5
101.02392	0.7
108.02186	1.1
109.02975	0.8
110.06165	2.6
120.99677	1.4
121.05356	0.9
122.06129	4.1
125.02451	0.7
139.11322	1.5
144.04582	1.9
146.06184	0.7
151.00655	0.8
152.01184	0.5
153.01880	0.7
159.86433	0.5
160.04068	1.0
160.97711	0.5
161.04759	1.9
162.05605	0.7
167.15569	0.4
168.55843	0.5
169.01396	0.7
172.04091	1.5
173.04774	1.3
174.05609	1.2
183.10269	1.7
188.03481	0.6
192.44583	0.5
203.05901	1.3
204.06679	4.5
211.05142	0.5
211.08742	0.5
212.05937	3.7
212.09491	0.6
213.06256	0.6
213.10335	0.7
223.08635	0.7
225.06683	1.3
225.10289	0.9
227.11972	0.5
237.10347	3.7
237.88274	0.6
238.08940	0.5
239.08218	4.2
240.08989	1.7
241.09761	1.0
251.04546	0.8
251.11876	2.7
252.05507	0.5
252.10516	0.6
252.12692	3.9
253.06152	4.4
253.09741	4.4
254.10420	1.1
255.11482	1.5
266.06818	1.0
267.07742	8.4
267.11322	2.4
268.08551	4.1
268.11844	3.3
269.12878	1.0
279.07861	1.1
280.08496	2.3
281.09293	11.9
282.09796	1.3
283.10989	0.6
285.08798	2.1
295.10910	7.1
296.11679	17.0
297.09106	0.6
297.12207	2.0
299.10391	3.1
300.02927	0.5
300.11160	1.6
301.03229	0.9
302.03503	0.9
303.04010	0.6
311.10471	1.2
312.10779	0.5
313.11899	1.7
328.10614	4.7
328.14340	1.7
329.11325	1.4
340.10544	0.8
344.14075	0.6
345.77148	0.5
360.13245	0.8
374.18741	1.3
406.17697	1.4
418.17612	7.7
436.18796	4.8
437.18726	0.6
444.15530	1.0
449.10168	3.6
449.20187	9.5
450.20596	2.1
462.16620	2.4
480.17844	9.4
481.17953	0.8
482.19205	1.0
494.19153	2.7
511.27631	0.5
512.20361	100.0
513.20697	13.3
513.27533	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	511.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
57.03445	0.3
59.01376	1.4
61.98831	4.5
63.84841	0.2
64.75986	0.2
65.03959	0.2
71.01385	0.3
71.05021	0.2
80.02651	1.3
81.03464	1.7
83.01385	0.4
83.05029	6.1
84.02161	1.0
84.05343	0.2
93.03458	0.9
95.05041	1.0
96.96030	0.5
97.06589	0.9
103.26587	0.2
109.06608	0.9
111.04527	0.5
111.08167	0.3
111.33694	0.1
121.06599	0.2
123.08187	0.7
125.06124	0.4
125.09743	2.0
127.11304	0.5
133.06618	0.2
135.08182	1.1
138.01959	0.4
147.08095	0.2
147.11833	0.3
149.09717	1.1
163.11302	4.1
164.11581	0.4
165.12868	2.6
166.13211	0.2
171.10283	24.6
172.10635	1.3
175.11360	0.2
177.12752	0.4
181.12450	0.8
183.13919	0.8
185.11861	1.6
191.10797	1.2
194.01607	0.2
199.13435	0.4
203.10695	0.2
203.14423	0.6
205.12471	0.3
207.10262	0.6
209.11835	100.0
210.12167	6.5
210.14171	0.3
211.13458	0.5
219.13872	0.5
221.11813	1.1
223.13374	1.5
224.13634	0.2
225.11378	0.3
227.12894	9.7
228.13226	0.9
229.12375	0.5
231.13885	0.5
235.13472	0.2
237.14909	0.3
239.12849	0.3
247.13385	7.9
248.13734	0.5
249.15036	0.4
265.14468	2.5
301.16324	0.2
321.17093	0.5
331.22754	0.3
331.82916	0.2
337.02731	0.2
339.18231	0.5
357.20615	0.4
357.24414	0.2
373.23984	0.4
375.21625	0.7
375.25516	0.8
377.44452	0.2
383.22473	0.5
401.23349	1.2
419.24298	0.8
431.24313	0.4
432.24747	0.3
437.25299	0.5
449.25299	2.2
449.31448	0.2
450.25943	0.4
457.25858	0.5
467.26868	0.2
475.26907	3.1
476.27176	0.5
493.27985	1.9
494.28131	0.5
511.12732	0.3
511.28958	2.9
512.29297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.0
57.03445	2.6
58.00584	1.2
59.01377	66.5
60.01701	0.7
61.98830	19.0
69.03447	0.7
69.64227	1.8
69.64651	2.4
71.01384	28.5
72.43576	0.5
72.99305	1.3
73.02954	12.1
78.63330	0.5
83.01386	6.2
83.05069	0.6
85.02959	16.8
86.00121	0.6
87.00858	1.5
89.02438	2.8
93.66442	0.5
95.01393	1.7
96.96035	0.9
97.02972	1.2
99.00894	5.8
101.02452	37.0
102.02811	0.5
104.48940	0.5
106.62139	0.5
106.62803	0.5
111.00871	1.2
113.01687	0.9
113.02467	12.9
118.88445	0.5
125.02457	1.1
128.66374	0.5
129.01950	1.1
131.03517	43.3
132.03848	0.9
143.03540	1.4
149.04482	0.6
159.02979	2.2
161.04579	9.3
161.21288	0.6
183.13867	0.8
199.13342	1.2
209.11826	7.4
224.34404	0.6
227.12915	4.1
319.21243	100.0
320.21646	8.9
369.53180	0.6
434.59698	0.6
451.25400	22.6
452.25839	2.3
493.27924	0.9
511.29376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2913
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
57.03444	0.8
59.01380	0.7
59.75088	0.1
61.98831	1.7
65.27891	0.1
68.04505	0.1
69.03450	0.2
71.01399	0.3
71.05029	0.2
71.74858	0.2
74.08813	0.1
81.03452	0.2
83.05013	0.5
91.03992	0.1
91.65672	0.2
95.05024	0.3
96.96036	0.3
97.06620	0.9
109.06554	0.2
110.87666	0.2
111.04558	0.2
111.08179	2.0
115.54052	0.1
119.29428	0.2
137.09717	0.3
163.11317	0.5
165.12863	19.7
166.13222	0.9
171.10342	0.2
181.12332	0.2
183.13916	100.0
184.14261	4.7
185.11826	0.2
191.10814	0.2
199.13351	0.2
209.11852	3.9
211.13409	0.5
227.12898	15.1
228.13176	1.0
237.14798	0.2
242.70583	0.2
242.85880	0.1
283.15512	1.5
296.18997	0.2
301.16568	10.2
302.16940	0.7
331.26376	0.7
349.27789	0.2
375.25259	0.3
449.29004	0.9
467.30090	1.7
468.30341	0.2
493.28027	1.9
494.28549	0.3
511.29080	39.4
512.29395	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	511.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.2
59.01373	0.7
61.98831	3.0
65.08132	0.2
69.42256	1.5
69.42676	0.4
71.01384	0.4
80.02686	0.7
81.03460	1.5
83.01399	1.1
83.05035	4.0
84.02193	1.0
93.03462	0.3
95.05040	0.8
97.06578	1.0
97.66888	0.2
97.67490	0.2
109.06595	0.4
111.08185	0.8
125.06087	0.5
125.09715	1.2
135.08180	0.6
146.02385	0.2
147.11786	0.3
151.00310	0.2
158.80589	0.2
163.11322	3.0
164.11513	0.2
165.12863	9.4
166.13237	0.5
180.36024	0.2
181.12364	0.6
183.13911	100.0
184.14258	6.4
185.11882	0.3
191.10835	1.5
199.13522	0.3
205.15912	0.2
209.11839	68.5
210.12187	4.6
211.13419	0.4
216.82362	0.2
227.12892	18.6
228.13266	1.4
269.50308	0.2
283.15540	1.0
301.16565	6.4
302.16873	0.7
375.25491	0.5
393.26566	1.7
467.30008	2.2
468.30429	0.3
493.27948	0.9
511.29105	14.9
512.29431	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	511.2912
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.48977	0.1
57.03445	0.3
59.01381	0.8
61.98838	1.4
62.33062	0.1
65.03967	0.2
69.03467	0.2
71.01373	0.2
71.05033	0.3
71.75594	0.1
72.63190	0.1
80.02690	1.3
81.03475	1.2
81.03918	0.2
82.49389	0.1
83.01406	0.3
83.05035	5.2
84.02177	1.0
84.05403	0.1
85.06630	0.1
93.03476	0.9
95.05037	1.2
97.02957	0.1
97.06613	0.7
106.04272	0.2
107.05054	0.2
109.06609	0.8
111.04533	0.4
111.08205	0.1
113.06196	0.1
121.06603	0.2
123.04626	0.1
123.08215	0.9
125.06116	0.6
125.09738	2.1
127.11333	0.3
128.37979	0.1
135.08202	1.1
141.12845	0.1
147.11829	0.1
149.09732	0.8
153.12860	0.1
158.07402	0.1
161.09705	0.2
163.11311	4.6
164.11620	0.1
165.12860	2.7
166.13217	0.1
171.10292	23.3
172.10652	0.9
173.09753	0.2
175.11238	0.2
177.12842	0.3
181.12332	0.9
183.13921	0.4
185.11864	1.4
185.13417	0.2
191.10799	1.1
193.12340	0.1
197.11928	0.1
203.10738	0.2
203.14474	0.6
205.12448	0.3
207.10286	0.4
209.11844	100.0
210.12177	5.1
211.13148	0.1
219.13895	0.5
221.11798	1.0
221.15475	0.2
223.13431	1.2
223.83754	0.1
225.11356	0.2
225.42065	0.1
227.12898	8.7
228.13081	0.4
229.12381	0.6
229.14326	0.2
231.13811	0.5
235.13345	0.2
237.15005	0.3
239.12790	0.3
247.13387	7.1
248.13776	0.6
249.15010	0.4
265.14441	2.5
266.14731	0.1
277.17902	0.1
283.15503	0.2
303.16153	0.2
321.16895	0.4
331.22784	0.4
335.22159	0.1
339.18768	0.3
339.23471	0.1
347.29642	0.1
357.20624	0.5
357.24603	0.2
373.23862	0.3
375.21652	1.0
375.25528	0.9
383.22360	0.4
383.90988	0.1
391.24896	0.3
393.22174	0.1
393.26794	0.2
401.23355	1.2
409.25919	0.1
419.24380	0.9
420.24561	0.1
431.24323	0.7
437.25314	0.4
449.25443	2.6
449.32056	0.2
450.25818	0.3
457.26062	0.5
458.25790	0.1
467.26608	0.2
467.33621	0.1
475.27075	2.9
476.27216	0.4
493.28061	2.3
494.28516	0.3
511.28482	2.4
512.29437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1458
Annotation	CHEBI:67505
Peak:m/z	Relative Intensity
56.98018	0.9
57.03460	0.7
58.00579	0.7
59.01383	21.4
61.98832	5.7
67.01868	1.0
69.03458	1.0
71.01389	9.6
72.99300	1.3
73.02937	1.7
74.34652	0.4
74.99107	4.0
79.01894	1.0
83.01391	1.8
85.02958	3.0
87.00894	2.6
88.98778	0.7
89.02457	8.2
93.03474	0.8
95.01424	2.5
97.02957	1.1
98.02480	0.5
98.19894	0.9
99.00897	0.6
100.00438	0.6
101.02459	5.6
105.01930	0.7
105.11453	0.5
107.01407	5.5
109.02965	1.1
111.00926	2.6
113.02470	4.4
117.97305	0.6
118.98111	1.1
119.03513	2.4
120.99677	0.4
121.02972	1.2
122.03785	0.6
122.06137	0.5
123.00906	14.3
123.04546	0.7
124.01648	1.4
125.02473	20.7
126.02778	0.9
127.00385	1.2
134.03749	1.1
135.04510	1.7
136.99115	2.4
137.02473	1.6
139.00389	3.6
139.03999	1.5
140.01176	3.7
141.02002	1.9
143.03510	0.6
147.04495	0.6
149.02480	2.6
149.04521	0.6
149.06049	0.7
150.03256	4.6
151.00404	8.6
151.03917	0.6
152.00943	0.4
153.01936	2.2
154.99913	0.4
157.08662	0.5
161.02469	0.9
161.04535	0.9
163.03978	0.6
164.04845	3.1
165.01921	0.6
165.05606	6.3
166.02751	0.4
166.05934	0.5
166.99826	1.0
167.03474	0.8
168.00667	6.2
169.01456	27.7
170.01744	1.3
171.10364	0.4
179.03558	0.7
179.05612	1.8
179.07184	1.3
180.04346	0.4
181.01448	0.4
181.05025	0.9
182.02109	0.4
182.05869	2.2
183.03015	4.9
186.04060	1.7
195.03023	0.5
195.06636	2.7
197.04420	0.8
197.08109	1.3
210.01663	0.6
211.02498	13.4
212.02739	0.6
224.30479	0.4
225.04062	5.0
233.39380	0.4
237.04233	0.5
241.03571	0.7
245.01048	0.5
261.00513	0.5
261.11646	0.4
271.04584	14.3
272.04767	0.5
273.00351	0.5
281.06638	0.7
285.06161	2.9
286.08453	0.6
297.06012	0.8
299.04474	1.2
300.99738	1.4
301.02902	0.5
301.10794	1.6
313.05588	2.5
315.07150	0.4
325.11435	0.4
331.06616	1.1
331.12381	0.6
345.11887	1.2
386.14404	0.4
451.52646	0.5
463.16513	4.5
464.17093	0.7
493.13321	1.7
511.14471	100.0
512.14642	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03783	0.3
57.03439	0.6
58.00584	0.3
59.01386	5.2
61.42648	0.3
61.98834	16.3
63.96229	1.0
69.03472	0.5
69.55799	2.5
69.56210	0.5
71.01387	2.3
72.99310	0.8
73.02958	0.9
73.98287	0.5
74.99100	1.0
76.97035	0.7
79.95745	0.7
81.23114	0.3
83.01398	0.5
83.05027	0.4
85.02953	0.9
85.06606	1.2
87.00883	3.1
89.02465	1.4
95.01393	0.3
96.96026	0.4
99.00924	0.5
100.29568	0.3
101.02443	1.8
102.92226	0.3
108.02193	2.1
109.02954	2.5
110.06120	0.4
111.08179	0.3
113.02472	1.3
116.92926	0.4
119.03558	0.6
119.05034	0.3
120.99673	100.0
122.00053	1.7
122.06138	0.5
123.00911	0.7
123.04505	0.5
125.02460	2.3
132.99699	1.8
135.04593	0.8
137.02499	0.4
139.04025	0.6
139.07681	0.5
145.03004	0.9
151.00716	5.2
152.01195	2.2
153.01952	1.0
161.04613	0.8
163.04007	0.4
168.00764	0.5
169.01460	1.6
177.01955	0.6
193.03276	0.5
199.10048	0.3
211.04408	0.8
211.85675	0.3
243.04837	0.6
245.09325	0.9
267.11215	0.4
275.20242	1.2
276.20572	0.4
277.82330	0.4
293.21198	1.9
296.11880	0.4
297.08783	0.7
311.10474	1.0
323.22470	0.3
346.87973	0.4
355.08975	0.4
373.42990	0.3
381.81467	0.3
387.12045	1.3
418.17767	0.6
436.18683	2.1
448.09558	0.6
449.10776	0.5
449.20154	0.7
451.29001	1.1
467.19742	0.8
473.20221	0.5
480.17725	2.2
511.18237	6.2
511.25934	10.7
512.19800	2.1
512.26428	1.1
539.41302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50901	0.3
52.82625	0.3
55.01892	0.3
57.03443	0.4
59.01381	3.5
61.98834	24.9
62.98546	0.4
68.99812	0.4
69.03464	0.7
69.50801	1.4
69.51244	1.6
70.94832	0.3
71.01386	2.5
72.99319	0.3
73.02956	1.0
75.00885	0.4
78.95956	0.4
81.03468	1.5
83.01389	0.8
85.02955	3.2
87.04514	0.3
89.02496	0.4
93.03473	0.8
95.01397	2.3
95.05056	0.3
95.28822	0.3
97.02956	0.6
99.00878	0.9
101.02449	1.7
108.02193	82.1
109.02990	26.5
110.03329	0.7
111.08199	0.3
113.02473	1.2
121.02977	1.0
123.00908	5.9
123.04536	0.9
124.01690	4.1
125.02480	2.1
131.03561	0.5
133.02983	0.5
135.00940	0.5
138.03232	1.0
139.04056	2.9
143.03448	0.4
149.99564	0.5
151.04050	1.1
152.01180	60.9
153.01967	16.4
154.02310	0.5
161.04575	0.8
163.04024	1.3
165.01947	0.9
165.12878	0.9
167.03593	0.4
168.00684	1.5
174.35857	0.4
183.13893	2.2
195.03069	0.4
195.13884	0.9
207.23201	0.3
209.11845	1.0
213.14986	5.7
227.12863	0.4
251.12822	0.5
275.12772	0.4
293.14047	1.1
315.07285	1.0
319.21201	1.1
349.20389	0.6
451.25162	1.0
465.28455	0.7
511.21890	100.0
512.22211	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	511.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05685	0.3
57.03455	0.6
58.00604	0.4
58.59822	0.4
59.01379	100.0
60.01715	1.0
61.98829	7.3
67.01905	0.5
69.03442	0.5
70.78371	0.3
71.01388	5.9
71.69250	0.5
72.00923	0.7
72.99323	1.0
73.02953	6.0
74.99109	1.1
75.00870	0.4
81.03519	0.4
83.01396	1.3
85.02953	2.3
87.00890	1.9
88.98843	0.8
89.02451	4.3
93.03474	0.4
95.01416	1.2
96.96056	1.1
97.02988	0.9
98.02485	7.0
99.00928	0.6
100.00414	3.3
101.02454	4.0
103.00404	1.6
107.01391	1.9
107.05030	1.6
108.02217	0.8
109.02948	0.6
109.06662	0.5
110.12347	0.3
111.00909	1.1
111.04512	0.4
113.02448	2.5
116.92866	0.3
119.03502	1.3
120.99664	1.9
121.02956	0.9
122.99296	0.7
123.00912	4.1
123.04559	1.5
124.01709	1.2
125.02461	11.6
125.09832	0.3
126.01978	0.4
126.02810	0.4
127.00381	0.4
131.03526	1.0
133.03001	0.4
134.03752	0.5
135.04558	5.4
135.98369	0.4
136.99023	1.2
137.02480	2.1
138.03261	0.6
139.00436	1.7
139.04080	0.8
140.01134	1.8
141.01955	0.6
142.01469	1.6
143.03551	0.6
143.07196	0.3
144.03040	3.3
146.03770	0.9
147.04659	0.5
148.05264	0.7
148.06314	4.7
149.02527	0.6
150.03217	0.5
151.00383	2.7
151.04045	1.4
153.01987	0.9
153.05585	0.9
155.10809	0.7
159.72420	0.4
161.04611	1.2
161.06006	0.6
163.04070	1.6
164.04787	3.0
165.01939	0.6
165.05562	3.0
166.99911	0.5
167.03491	0.5
167.07140	0.4
168.00662	3.4
169.01440	15.0
169.84282	0.4
170.01814	0.7
175.04045	0.5
179.03528	0.5
179.05757	0.6
179.07198	1.6
181.01553	0.4
181.05066	4.0
182.02292	0.7
182.05850	2.4
183.03014	2.5
183.06615	3.3
186.04086	19.8
187.04460	0.9
187.09842	1.0
187.93417	0.3
188.82681	0.4
195.06680	0.6
196.03935	0.4
197.04639	0.7
197.08269	0.8
200.47470	0.4
201.11438	1.2
207.06628	0.5
210.01611	0.4
211.02579	1.3
217.10968	0.4
225.04143	1.1
231.09769	0.4
233.04700	0.7
237.07802	0.8
267.10910	1.2
271.04684	1.0
275.07709	0.5
285.06067	1.8
297.06335	1.0
301.00180	0.5
313.05585	2.6
319.17767	1.4
327.07303	0.5
335.10416	0.4
343.11838	4.4
344.12289	0.5
387.09647	1.0
436.43256	0.4
449.11270	0.5
493.13379	8.7
494.14172	1.1
511.14755	19.8
511.24341	8.9
511.31155	1.2
512.15070	2.6
512.24579	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	511.1455
Annotation	CHEBI:67505
Peak:m/z	Relative Intensity
57.03439	1.0
58.00584	0.9
59.01378	14.1
60.02785	0.5
61.93412	0.6
61.98837	5.8
67.01898	1.2
68.99828	0.6
69.03455	1.1
69.41624	5.8
71.01384	9.4
72.99304	1.2
73.02940	2.6
74.99099	1.3
75.00847	0.5
76.05372	0.4
79.01910	1.1
81.03467	0.6
83.01389	1.3
85.02947	3.7
87.00885	2.3
89.02454	4.6
95.01392	2.7
97.02973	1.3
98.19807	0.9
99.00867	1.1
101.02463	6.5
107.01401	7.6
108.02192	1.8
109.02965	12.1
111.00901	3.6
111.04530	0.7
113.02460	4.0
116.05959	0.4
116.92835	0.7
119.03484	1.9
120.99670	1.0
121.02967	1.6
122.03759	1.1
123.00898	13.8
123.04537	2.3
124.01678	2.3
125.02463	29.1
126.02793	1.8
127.00365	1.4
131.03500	1.0
135.04535	1.8
135.27425	0.5
136.07739	0.6
136.98877	1.8
137.02441	2.2
139.00380	4.7
139.04031	1.7
140.01196	5.1
141.01907	2.0
145.02965	1.4
146.03665	1.2
149.02452	2.2
149.04585	0.7
150.03247	7.3
151.00391	9.0
151.04007	5.6
152.01100	1.2
153.01956	20.7
153.05545	1.0
157.08698	1.7
161.02374	0.5
161.04526	1.2
163.04042	3.5
164.04805	6.6
165.01955	1.1
165.04118	1.2
165.05568	8.5
166.05876	0.5
167.03508	2.7
167.99350	0.8
168.00668	8.1
169.01443	38.5
170.01788	2.4
177.01984	0.7
179.03506	1.0
179.05754	0.9
179.07132	3.6
180.04294	0.9
181.05061	1.3
182.02238	0.8
182.05843	3.7
183.02989	3.5
191.84122	0.6
195.02991	2.2
195.06654	2.2
197.04514	1.6
197.08189	3.3
201.11394	1.0
209.04483	1.6
210.01788	0.7
211.02473	7.2
217.48746	0.5
225.03989	3.0
233.88408	0.5
241.03552	0.9
247.89565	0.5
255.05103	1.2
267.10983	0.7
271.04587	7.9
281.06641	0.6
285.06177	3.0
297.06128	8.7
311.07697	1.1
313.05621	5.7
313.11450	0.7
314.06165	0.7
317.03906	0.6
319.17792	2.5
357.08276	1.0
369.08371	3.1
387.09265	1.6
451.21780	1.0
463.12393	14.0
464.12836	1.5
465.06982	1.0
465.40182	0.7
466.06995	0.8
479.11395	0.7
481.12836	0.9
493.13602	10.5
494.13861	0.6
511.14487	100.0
512.14886	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	511.1454
Annotation	CHEBI:67505
Peak:m/z	Relative Intensity
51.81102	0.4
55.01870	0.5
57.03443	0.4
58.00599	0.4
59.01381	8.9
60.89549	0.3
61.98838	2.2
63.99239	0.3
65.00304	0.4
67.01885	1.0
69.03451	1.2
69.60862	2.3
71.01385	5.6
72.99310	0.7
73.02948	1.1
79.01891	1.3
81.03490	0.4
82.00598	0.3
83.01386	1.0
85.02972	1.7
87.00894	0.8
89.02460	3.0
95.01398	2.9
97.02966	1.1
101.02464	3.2
107.01411	7.2
107.05056	0.3
109.02987	0.8
110.00102	0.4
111.00874	2.1
113.02468	1.6
119.03503	1.0
120.99728	0.3
121.02966	1.2
122.03737	0.8
123.00906	15.8
123.04557	1.0
124.01762	2.0
125.02470	29.2
126.02782	1.1
127.00369	1.0
131.03516	0.4
135.04547	0.4
136.98889	1.6
137.02458	1.3
137.06110	0.4
139.00404	4.2
139.04013	1.3
140.01195	3.7
141.01964	2.6
146.03752	1.6
147.04483	0.8
149.02539	0.4
151.00395	7.2
151.04019	0.9
153.01959	1.6
153.05574	0.4
154.99904	0.4
161.05995	0.5
163.04022	0.5
164.04836	1.9
164.96660	0.3
165.01933	1.0
165.05614	3.3
166.99863	0.9
167.03546	0.4
167.99345	0.5
168.00679	6.9
169.01448	35.4
170.01816	0.7
179.03523	0.5
179.07162	1.2
181.05038	0.7
182.02267	0.7
182.05862	5.2
183.03001	4.3
183.06296	0.4
197.04535	0.6
197.08203	4.1
201.11223	0.4
210.01717	0.6
211.02477	8.5
212.02875	0.5
225.04088	2.8
241.03447	0.4
253.03664	0.4
255.05026	0.4
271.04581	9.3
272.04990	0.5
285.06192	1.7
297.06268	0.4
299.20947	0.3
313.05661	3.2
314.05777	0.4
331.06668	0.6
345.11978	1.2
387.09595	0.4
450.95355	0.3
479.11847	0.6
493.13486	1.2
511.14569	100.0
512.14948	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	511.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00505	0.6
59.01384	5.3
61.98850	1.4
62.64324	0.6
67.40398	0.6
69.03470	1.0
69.57826	2.2
69.58246	3.2
71.01391	7.3
71.01752	0.7
72.99339	0.8
73.02985	1.4
79.01909	0.6
81.03452	1.0
81.95311	0.6
83.01418	1.3
85.02975	1.5
87.00916	1.0
89.02488	2.3
95.01433	2.1
97.02983	1.4
99.00879	0.9
101.02458	3.8
103.10180	0.6
107.01398	10.1
109.02967	1.0
111.00919	2.4
113.02473	2.7
123.00905	13.7
123.04544	1.1
124.01723	3.9
125.02466	73.4
126.02796	1.1
127.00427	0.7
131.03589	0.7
131.38234	0.6
134.03792	1.2
135.04556	1.6
136.98886	1.4
137.02501	1.7
138.03259	3.2
139.00417	3.6
139.04033	2.1
140.01167	2.5
141.01988	1.8
147.16782	0.6
149.02423	0.9
149.06163	0.7
151.00398	8.7
151.03978	1.4
153.01961	1.9
153.05615	1.3
164.04768	1.1
165.01881	0.9
165.05618	0.6
166.99878	7.0
167.03552	2.2
168.00662	6.8
169.01443	100.0
170.01747	3.3
179.03563	1.7
181.01436	0.6
182.02240	18.1
183.02985	7.4
197.04558	13.3
198.04851	0.6
198.08131	0.6
203.09085	0.6
211.02521	3.1
241.03542	3.0
253.03491	0.8
271.04700	1.5
275.93799	0.6
313.05637	43.6
314.05887	3.2
327.07318	3.3
343.11444	0.7
448.15485	1.1
451.18161	0.7
467.05692	1.0
467.11957	11.7
468.12241	1.0
475.14560	0.7
493.10196	0.7
511.10672	92.0
512.10748	8.6
512.21088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.2
61.98834	6.1
67.01862	0.9
69.03445	0.9
71.01377	6.5
71.71304	1.0
72.99309	3.1
73.02940	1.1
75.00882	10.3
81.03449	0.9
83.01403	1.6
85.02950	2.1
87.00863	3.3
88.98817	2.0
89.02449	2.4
95.01376	1.8
97.02914	1.5
99.00878	0.7
101.02453	4.6
107.01402	7.3
107.05035	2.9
107.54508	0.6
109.02951	2.0
111.00870	2.3
113.02446	2.7
116.05112	0.6
117.03539	0.7
119.03540	1.2
121.02979	38.1
122.03314	0.9
123.00900	12.8
123.04518	1.1
124.01745	1.3
125.02468	49.5
126.02789	1.5
135.03618	0.9
135.04553	11.5
136.98859	1.3
137.02489	1.3
138.03278	0.7
139.00392	3.6
139.04018	0.8
140.01157	2.9
141.01932	2.7
149.02472	1.1
151.00389	11.4
151.03966	2.4
153.01964	3.5
153.05626	0.9
160.04076	6.1
161.02457	1.4
161.04420	3.8
163.04063	0.9
164.01089	0.7
165.01932	1.2
165.05493	0.8
166.99840	1.0
167.03468	1.5
168.00624	3.3
169.01448	80.9
170.01846	3.6
170.03062	0.7
177.01855	0.8
179.03532	1.8
182.02142	2.9
183.02972	2.0
189.01970	0.8
191.03320	0.8
193.01431	1.1
197.04518	3.5
203.03386	0.6
204.03102	5.6
205.01631	0.8
205.03363	4.0
211.02522	4.9
223.02335	1.0
241.03485	1.9
245.00894	0.7
253.03458	1.3
271.04407	3.9
275.01917	0.8
300.99829	2.2
301.10645	0.9
301.55453	0.6
305.06604	2.4
313.05652	56.4
314.05841	3.7
359.09711	3.3
362.03531	0.7
413.62207	0.7
435.09326	41.2
436.09735	5.6
448.11823	1.2
449.13025	29.0
493.09430	0.8
511.10788	100.0
512.11047	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	511.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.7
61.98830	7.5
62.30505	0.9
67.01915	1.1
69.27336	0.9
70.09014	5.2
71.01390	14.3
72.92516	0.9
72.99327	3.8
73.02954	2.3
73.47526	0.9
83.01405	1.4
85.02962	3.9
87.00901	1.9
88.98816	1.3
89.02477	6.7
93.03468	3.3
93.65852	1.1
95.01396	2.7
97.03008	2.2
99.00914	1.8
101.02474	7.3
105.01950	1.0
107.01418	9.2
107.05029	1.1
108.02254	1.4
109.02977	7.3
111.00893	2.4
112.98017	0.9
113.02460	6.4
117.03500	1.0
117.71309	0.9
119.03532	2.4
121.02957	3.4
123.00077	1.3
123.00916	14.3
123.04529	3.8
124.01676	4.3
125.02470	54.1
126.02770	2.5
127.00309	1.4
133.02957	2.1
134.03806	2.2
135.04547	73.2
136.01657	1.7
136.04857	2.9
137.02475	18.6
139.00410	4.6
139.04039	12.2
140.01147	3.5
141.01965	1.5
143.03514	1.7
143.07152	4.3
149.02470	14.8
149.04559	1.2
149.06059	1.0
150.03168	2.2
151.00392	9.9
151.04054	4.8
152.00836	1.0
153.01920	4.5
153.05576	2.3
161.02477	7.5
161.04538	2.8
161.05821	1.0
163.03984	1.5
163.06140	1.2
164.04771	2.1
165.01935	2.0
165.05588	2.2
166.99890	2.9
167.03526	41.1
168.00677	6.8
168.03822	1.3
169.01454	79.9
170.01743	3.0
171.06731	1.3
177.02005	1.5
179.03503	15.3
179.05695	1.9
179.07133	1.3
181.05083	1.3
182.02151	4.9
182.05902	1.4
183.02939	3.9
186.04144	1.2
191.03490	1.2
195.06689	1.4
197.04562	31.4
197.08215	1.1
198.04930	1.3
211.02441	5.4
241.03542	2.3
257.04572	1.3
267.06628	1.6
271.04590	6.7
275.01871	1.2
282.08771	2.7
283.06094	2.9
298.08530	1.4
300.99951	3.3
302.00400	1.3
313.05670	41.7
313.10785	5.8
314.05975	1.6
319.13864	2.1
325.11420	4.4
327.07327	1.6
329.08804	2.7
341.08682	2.6
347.85287	1.1
348.08185	1.3
359.09860	17.2
360.09680	1.3
367.16125	1.9
423.09164	2.8
447.36069	1.2
448.15869	2.2
449.10880	6.4
451.08890	7.0
451.18091	3.6
451.24506	1.2
465.10287	2.8
467.11978	3.4
475.14301	8.1
481.10007	3.1
493.09875	18.6
511.10272	100.0
512.10803	9.1
520.00824	1.0
520.94885	1.2
534.83667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.307
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08709	0.3
59.01371	1.0
61.98832	100.0
69.55867	0.4
69.56264	2.8
71.39204	0.3
76.89334	0.3
95.69536	0.3
96.96019	0.4
99.81415	0.3
106.75337	0.3
119.05088	0.5
145.02957	1.1
163.04012	0.7
163.11288	0.5
175.07288	0.3
183.13927	2.3
184.14290	0.8
195.06255	0.3
209.11888	1.5
211.13493	0.6
225.11382	0.7
227.13100	0.6
301.16669	0.4
301.20325	0.3
302.16882	0.5
332.44702	0.3
429.30307	0.4
447.24091	1.4
510.28513	1.1
511.29306	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	510.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04414	0.2
57.14693	0.2
58.23255	0.2
59.01384	0.5
61.98832	100.0
62.65491	0.2
68.12761	0.2
69.53347	1.9
72.73052	0.2
80.72610	0.2
83.05052	0.3
96.96013	0.3
98.19890	0.3
104.64084	0.2
165.12910	0.3
167.43423	0.2
171.10283	0.3
183.13940	0.5
190.33989	0.2
197.12059	0.2
199.13484	0.2
207.10393	0.2
208.10703	0.2
209.11850	5.4
209.13719	0.4
210.12289	0.3
211.13496	0.2
225.11417	0.4
227.12885	1.3
228.28893	0.2
287.66220	0.2
510.27985	0.4
510.35632	0.2
511.12506	0.3
511.28134	0.5
516.15753	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.2
59.01621	0.6
61.98853	2.4
67.01945	0.7
69.03469	0.6
70.18821	1.0
70.19220	1.5
70.98363	0.6
71.01389	9.5
72.00237	0.6
72.99324	1.7
73.02988	1.5
79.01924	0.9
81.03477	0.9
83.01413	1.4
84.32945	0.6
85.02962	3.0
87.00883	1.2
88.98785	0.8
89.02475	2.7
92.52258	0.6
95.01380	2.6
97.02995	1.2
99.00910	0.8
101.02468	4.4
107.01406	11.9
107.02110	0.8
109.02979	1.2
111.00906	2.4
113.02441	3.4
119.03539	1.0
122.06175	0.7
123.00906	14.7
123.04528	1.3
124.01685	2.5
125.02467	75.7
126.02834	2.2
127.00386	0.6
134.03793	1.1
135.04518	1.3
136.98938	0.9
137.02440	1.6
138.03252	3.6
139.00388	4.3
139.04044	2.3
140.01250	4.1
141.01932	2.0
143.03568	0.9
143.07217	0.8
149.02489	1.2
149.06163	1.2
151.00391	9.6
151.04012	0.7
153.01930	2.2
153.05606	1.6
157.08675	0.5
161.02362	0.5
161.04596	1.3
163.04106	0.8
165.01942	1.3
165.05565	1.0
166.99896	6.2
167.03516	3.2
168.00652	6.9
169.01448	100.0
170.01794	3.2
171.06627	1.2
179.03438	1.5
182.02237	20.7
182.05780	0.7
182.79021	0.6
183.02997	9.3
186.04074	0.7
193.01401	0.8
195.03072	0.6
197.04572	13.5
197.08237	0.7
198.04918	1.0
200.79688	0.6
209.04518	0.7
209.59406	0.6
211.02435	3.0
241.03525	2.5
253.03496	1.4
271.04514	1.2
275.01956	0.7
287.10281	1.4
297.06039	1.3
300.99844	0.6
313.05658	43.6
314.05951	3.3
314.09323	0.5
325.11142	1.1
327.07291	3.0
331.06360	0.8
343.11755	0.6
389.46167	0.6
451.17987	1.3
467.12033	10.7
468.12265	0.9
493.09714	1.0
511.10614	88.0
512.10803	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	509.2883
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
55.15319	0.2
59.41600	0.2
60.27428	0.2
61.98808	0.8
66.41141	0.3
78.95907	17.6
81.33114	0.3
96.96982	1.9
118.27753	0.2
140.62866	0.3
143.13713	0.3
150.98048	0.4
152.99603	31.3
153.99921	0.3
171.00597	1.4
180.89964	0.5
196.89479	3.9
227.03246	4.0
245.04335	1.4
278.27985	0.3
281.24838	100.0
282.25174	11.3
395.17972	0.3
417.24103	0.6
509.28790	71.1
510.29153	11.6
510.36905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.0
61.98834	72.6
69.63484	6.1
82.71889	0.7
88.50584	0.7
89.02419	0.7
101.02460	0.9
113.02480	1.0
120.99671	1.2
121.03014	1.2
125.02480	1.9
136.99127	0.7
150.43472	0.6
151.00372	1.8
167.07172	0.9
169.01430	1.1
178.99922	0.9
199.13431	0.8
227.03510	33.3
228.03853	1.4
229.05006	1.4
255.00919	0.8
255.02975	45.4
256.03604	5.7
284.03262	54.7
285.03995	18.2
327.05182	1.3
427.91602	0.8
447.09341	100.0
448.09570	9.9
509.23987	1.3
510.13373	1.1
511.25327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.5
58.00578	1.2
59.01384	47.7
61.98833	24.4
69.03461	8.1
69.56681	11.3
70.55559	1.1
71.01388	37.6
71.05035	3.4
72.01720	1.9
72.99322	14.7
73.02960	11.9
74.99115	3.6
75.00883	2.9
77.29350	1.2
83.01399	5.8
83.05030	1.9
85.02963	8.8
87.00882	7.5
87.04530	1.5
88.98823	2.8
89.01911	1.8
89.02451	27.2
93.03473	2.8
95.01411	1.5
95.05058	1.7
96.95998	1.5
97.03011	1.5
97.06636	1.2
99.00905	2.7
101.02457	23.5
107.01443	1.6
107.05040	2.4
108.02193	1.9
109.03006	4.2
111.00888	1.6
111.08176	2.3
113.02473	13.2
115.00379	1.7
116.92870	12.4
119.03504	8.1
119.05029	3.7
120.01282	5.8
120.99689	5.0
121.02984	4.8
121.05103	8.2
122.03784	1.4
123.00922	3.5
123.04557	5.7
124.01673	2.1
125.02480	7.8
127.07656	1.4
131.03510	3.1
134.03873	1.4
135.04555	8.8
136.99150	2.5
137.02460	5.7
137.09702	1.5
138.03232	1.5
139.04057	1.8
139.11320	17.6
143.03468	3.0
145.02957	2.3
146.03700	1.7
147.04608	1.5
149.02478	1.5
149.04509	1.7
149.06177	2.2
151.00412	3.2
151.03987	1.6
152.01103	2.4
153.01953	4.0
153.05595	3.3
155.10774	7.2
161.04590	6.8
161.05797	1.3
163.04053	3.2
165.01950	5.0
165.05579	2.6
166.02768	1.4
167.03499	4.4
169.01443	5.6
177.01988	1.7
179.03513	4.4
179.05650	5.5
179.07100	1.8
180.04271	2.5
181.05046	3.1
183.03101	1.7
183.10287	100.0
184.10640	5.0
187.06209	1.5
195.06674	8.5
197.03056	1.2
197.04556	7.2
197.11850	2.4
199.09789	3.8
209.11722	1.4
221.06659	1.6
225.07787	2.5
225.11288	3.4
227.12914	2.0
265.09222	9.3
283.07388	2.3
283.10370	35.1
284.10724	2.4
286.05975	1.3
287.15030	7.1
289.03616	2.0
300.99911	1.3
313.07111	1.7
317.16068	4.6
329.12558	14.3
341.10049	2.2
347.14944	4.2
359.11273	9.1
359.15146	1.4
417.17764	1.4
419.19211	1.5
446.17212	2.1
447.16302	1.3
449.24850	14.0
509.11795	9.7
509.18640	6.7
509.21939	7.1
509.29910	5.9
510.12936	3.6
510.29672	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	509.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.3
57.03447	4.0
58.00584	1.3
59.01381	73.7
60.01703	1.3
61.98835	11.6
68.64571	0.7
69.03454	1.6
71.01389	43.0
71.73917	1.6
72.01728	2.3
72.99315	3.0
73.02950	18.5
75.00864	1.0
77.93331	0.7
78.95912	0.8
80.96519	1.7
83.00947	1.2
83.01396	11.3
83.05024	0.9
85.02432	1.2
85.02959	23.5
86.00105	1.0
86.03326	1.7
87.00893	2.9
87.04525	28.6
89.02467	8.0
90.65620	0.7
93.03442	3.7
95.01376	2.9
96.01778	0.8
97.02930	1.7
97.06601	0.8
99.00897	7.9
101.02457	43.0
102.02788	2.8
103.02857	0.8
108.02176	0.7
109.02943	1.1
109.80675	0.8
111.00888	1.5
113.02465	17.8
114.02773	1.0
119.03465	1.8
125.02457	2.4
129.01952	1.3
131.03522	37.2
132.03870	1.3
137.02472	3.9
140.01286	0.7
143.03523	2.4
143.05272	0.6
149.04459	0.8
151.00551	1.0
155.07175	0.9
159.02982	3.6
161.04572	13.1
162.04935	1.1
165.37303	0.7
171.10286	1.6
179.05562	0.8
179.07056	1.0
193.06822	0.7
209.00829	0.8
209.11807	1.2
213.14993	1.4
217.28343	0.7
223.08253	0.7
225.00713	0.8
225.15009	1.5
246.98848	1.1
307.17490	0.9
317.19705	100.0
318.19986	7.4
341.23386	2.6
346.30585	1.2
347.30701	1.0
377.21567	1.7
377.25790	1.5
385.27386	1.3
421.20944	1.3
439.21701	0.9
449.23956	28.0
449.30237	1.1
450.24298	3.4
473.20441	2.5
508.35916	2.7
509.17392	2.2
509.27237	8.9
509.36005	31.2
510.18307	0.8
510.36197	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	509.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39524	0.6
55.44011	0.5
57.03475	0.8
57.34388	0.5
59.01371	7.6
60.41803	0.5
61.98830	56.8
62.98561	0.5
65.03986	1.0
67.95164	0.5
69.03486	0.5
70.57685	1.5
71.01430	1.2
71.05069	0.9
72.34254	0.5
73.51424	0.5
78.95936	1.1
80.02722	2.0
81.03468	4.4
83.01460	0.5
83.05032	9.7
84.02221	2.3
93.03461	2.6
93.87766	0.6
95.05094	2.0
96.96052	1.0
97.02959	5.3
97.06652	2.1
98.19995	0.8
107.05062	0.9
109.03000	1.3
109.05868	0.7
109.06596	18.6
110.03777	1.2
111.04549	5.2
111.08190	0.6
114.86554	0.5
121.02977	0.5
121.06638	1.3
123.08204	1.9
125.06136	1.0
125.09746	5.4
127.11336	0.6
135.08176	3.5
136.05370	1.1
142.02821	1.3
145.10213	0.8
151.07681	1.7
161.09807	1.7
163.11298	15.9
164.11560	0.9
165.09290	0.6
165.12805	2.9
171.10287	15.8
172.10570	0.9
175.11298	0.9
177.12872	0.7
179.07152	1.9
179.10783	1.1
181.12346	4.0
183.13901	3.1
185.11859	7.2
186.12196	0.9
187.09851	0.7
189.09184	1.7
191.10886	1.3
197.11807	0.9
199.09657	0.7
201.11287	1.7
201.12926	0.7
205.12451	0.6
207.10271	40.2
208.10616	2.2
209.11832	100.0
210.12164	7.1
211.13335	1.0
213.09200	1.0
217.12378	1.1
219.10124	1.2
219.13838	1.0
221.11777	1.9
223.13373	1.5
225.11301	22.8
226.11650	1.6
227.12889	14.4
228.13219	0.8
231.10210	2.3
233.11641	0.6
235.13371	1.9
237.11397	1.1
245.11757	1.3
247.13472	2.8
249.11241	3.6
251.12917	1.3
263.12897	4.0
264.12894	0.7
265.14355	1.0
281.13892	4.3
293.14047	1.4
299.14999	6.7
300.15234	0.9
305.13770	2.2
307.15268	0.5
319.15298	2.1
323.14828	1.6
327.84790	0.6
337.16574	2.7
355.18048	1.1
355.22711	1.4
373.19547	1.1
373.24155	2.8
381.20377	0.9
389.23383	0.9
399.21970	4.1
417.22522	2.1
429.30032	0.7
435.23593	1.0
447.23630	1.7
448.24088	0.7
449.32172	1.2
465.24823	3.9
466.25330	0.7
473.25363	15.8
474.25616	3.5
491.19608	0.8
491.26199	14.8
492.26492	2.6
509.27124	32.0
510.27402	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	509.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03441	2.4
58.00588	1.4
59.01381	43.9
61.98827	6.7
62.21555	0.5
69.03455	0.8
71.01384	28.1
71.04983	0.5
71.71735	0.6
72.99313	2.3
73.02945	8.2
74.99089	0.9
75.00885	2.2
78.60896	0.5
79.53648	0.4
81.03447	0.7
83.01371	3.2
84.04372	0.5
85.02959	8.7
87.00874	2.6
87.04522	1.5
88.98812	0.7
89.02452	20.2
90.02788	0.8
93.03477	1.0
95.01401	1.7
95.05054	0.7
96.96022	3.7
97.02944	1.7
97.23272	0.5
99.00891	2.0
99.04542	0.7
101.02453	17.7
103.04021	1.0
107.01397	2.0
107.05065	0.7
108.02188	0.7
109.02958	1.5
109.06589	0.5
111.00887	0.6
111.04421	0.6
113.02470	9.0
116.92835	0.8
119.03486	3.5
120.99675	2.7
121.02947	2.5
121.05099	6.2
122.03825	0.6
123.00941	2.5
123.04551	2.6
124.01721	0.8
125.02466	11.2
126.02773	0.7
131.03534	1.9
135.04550	1.3
136.99071	1.2
137.02483	3.0
137.09737	3.5
139.00365	1.2
139.04031	0.6
139.11305	14.4
140.01181	0.7
140.11575	0.8
143.03519	1.8
145.02950	1.2
145.05109	1.2
149.02505	1.0
149.04555	2.9
150.03215	1.8
151.00426	1.7
151.03996	2.2
153.01936	0.7
155.10793	23.6
156.11104	2.2
159.02997	0.7
161.02478	0.6
161.04575	2.9
161.05971	0.9
162.03246	8.9
163.03903	1.0
163.06163	1.0
163.11353	2.5
164.04773	1.8
165.05542	1.8
165.07722	1.3
166.06363	3.7
167.03511	0.7
169.01453	13.0
169.12305	0.8
170.01811	0.8
173.04578	0.8
177.05586	8.5
178.06021	0.5
179.03531	1.5
179.05571	1.7
179.07141	1.5
180.04295	44.3
181.01390	0.7
181.04956	4.3
181.08728	4.1
181.12376	5.4
183.10286	17.2
184.10587	0.9
187.06190	0.7
195.06635	40.5
196.06952	2.3
197.04521	0.6
199.09760	8.0
213.11449	0.8
221.06607	0.8
225.11276	5.3
229.14456	0.9
241.10741	1.7
243.12401	3.6
265.09265	6.2
271.10629	0.6
283.10367	7.6
284.03308	0.8
285.04092	3.7
287.01825	0.7
287.14954	1.5
297.11746	0.8
302.00314	0.6
311.09940	1.2
313.05624	7.8
314.06091	0.6
315.01456	1.9
316.01816	0.6
317.16000	4.0
325.11346	2.3
341.08960	1.0
343.10327	0.8
343.14020	2.1
343.24762	0.6
357.11908	15.0
358.12296	1.5
365.13278	0.6
447.09158	2.9
449.19690	3.1
461.18091	1.6
463.21677	0.7
478.07544	0.9
491.21350	5.9
509.13242	23.4
509.22256	100.0
510.13718	3.4
510.22653	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	509.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.1
59.01382	19.9
68.35281	0.7
69.58715	6.2
71.01395	4.8
73.02948	2.9
77.06574	0.7
85.02966	3.0
87.00875	1.8
87.55820	0.6
89.02444	6.7
93.17062	0.8
98.19870	1.4
101.02467	5.2
103.04031	8.0
105.03467	1.4
108.02192	1.8
119.03521	3.4
121.02999	1.0
121.31477	0.8
122.03770	2.2
123.00906	1.2
123.04533	1.2
125.02480	1.0
127.04073	0.8
134.03757	26.8
135.04607	3.8
145.02881	0.8
145.05113	0.8
146.03758	43.5
147.04547	20.4
148.05032	1.1
149.04887	1.9
149.06099	35.4
150.03239	1.7
150.06445	2.1
161.06085	18.9
162.03275	1.7
162.06519	0.9
163.04030	1.2
163.06139	18.2
164.04813	26.3
165.05426	2.1
167.07153	26.1
167.08589	1.3
169.01436	2.1
177.05545	1.8
179.07152	100.0
180.07547	5.2
193.08687	2.2
195.06729	1.8
311.11453	5.5
312.12036	2.5
313.12924	39.2
314.13193	4.0
338.86591	1.0
367.14029	18.6
368.14230	2.0
372.54776	0.8
409.88211	0.8
458.15918	0.7
461.18149	15.1
462.18433	2.0
473.18127	11.8
474.18698	2.2
491.19321	5.7
492.19879	1.2
509.15631	5.2
510.20871	0.7
514.51776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16384	0.2
55.01878	0.5
57.03450	1.6
58.00595	0.4
59.01381	25.9
61.54205	0.3
61.98854	0.5
62.92239	0.3
71.01385	8.9
71.71538	0.4
72.44455	0.3
72.99316	0.9
73.02948	2.7
74.84543	0.3
74.99123	0.3
75.00862	0.4
77.75618	0.3
83.01408	0.9
83.05021	0.5
85.02961	2.8
87.00902	1.2
87.04515	0.5
89.02450	5.8
89.25423	0.2
93.03477	0.6
95.01398	0.7
95.05039	0.6
97.02996	0.5
99.00905	1.0
99.04548	0.5
101.02449	6.8
103.04011	0.4
107.05031	0.5
108.02181	0.8
109.02980	0.6
109.06601	0.4
111.00948	0.3
113.02470	3.2
116.92885	0.8
119.03525	1.8
119.05015	0.4
120.99662	0.7
121.02982	0.5
121.05083	4.6
122.03806	0.4
123.00895	0.4
123.04539	0.6
125.02457	1.7
131.03552	0.5
134.03697	0.3
135.04533	1.2
137.02412	0.5
137.06111	0.3
137.09724	0.9
139.00334	0.4
139.11308	28.2
140.11656	1.1
143.03566	0.5
145.03024	1.6
146.03764	0.8
147.04567	0.3
149.04561	0.3
150.03281	0.4
151.00410	0.9
151.04048	0.3
152.01193	0.6
153.01944	0.3
153.05602	0.5
155.10803	1.0
159.02980	0.3
161.04565	1.5
161.06105	0.9
163.11307	1.1
164.01201	0.3
165.01920	1.1
165.05568	0.3
165.09216	1.0
167.07161	0.6
167.10918	0.3
168.00681	0.4
169.01416	0.7
169.12354	1.3
173.02483	0.3
178.99916	0.3
179.03416	0.5
179.05658	0.6
179.07112	0.4
179.10803	0.8
180.04257	0.9
181.05113	0.5
181.08762	0.3
181.12358	6.9
183.02966	1.1
183.10278	31.6
184.10568	1.4
193.01498	0.3
195.06664	3.1
195.13977	0.6
197.04591	0.6
197.11844	1.2
199.13411	0.8
222.90976	0.3
225.07880	1.3
225.11320	7.5
226.11633	0.4
227.12805	0.5
233.04536	0.6
235.06091	0.5
243.02821	0.3
243.12384	2.6
261.04086	0.4
265.09366	1.0
277.14862	0.3
283.10416	1.7
285.13336	0.4
287.14944	2.1
289.03403	0.4
301.03510	0.3
311.13513	0.5
312.09348	0.4
315.01343	0.6
317.15897	0.4
327.12463	0.5
329.09296	0.3
333.02408	0.7
341.10236	2.2
342.10266	0.3
347.15012	0.5
359.14407	0.5
409.07874	0.3
449.19217	1.3
461.16714	0.3
466.83591	0.3
491.21313	2.9
492.21899	0.4
509.22388	100.0
510.22775	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	509.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00626	0.6
55.67813	0.5
57.03450	35.2
59.01382	22.3
59.01666	0.3
59.31786	0.5
61.24933	0.5
61.98832	9.6
62.44097	0.5
68.80412	0.5
69.59385	1.0
69.59791	4.0
71.01393	6.5
72.99316	1.0
73.02941	1.7
75.00864	0.6
78.50901	0.6
82.03004	1.8
85.02946	1.3
87.00881	0.9
89.02437	3.3
93.03460	1.4
95.01413	0.6
99.04532	21.9
100.04873	0.8
101.02460	10.3
108.02151	0.6
109.02955	0.8
113.02460	2.0
113.06077	0.5
119.03513	1.3
119.05048	0.7
120.99668	1.2
121.02951	1.0
123.00893	0.8
125.02458	6.9
137.02472	3.4
139.11369	0.6
145.07736	56.5
146.03754	1.2
146.08109	2.7
147.04147	0.6
149.02463	1.3
149.06097	1.4
150.03271	1.0
152.01196	0.6
155.10855	0.7
161.04587	12.6
161.05898	0.7
162.05028	0.6
163.04068	0.9
165.05547	1.3
169.01424	1.2
170.07242	3.2
177.05586	0.7
179.07225	0.5
181.05135	0.8
182.05878	1.0
185.10887	0.5
188.08307	41.8
189.08672	2.9
197.08205	0.9
199.13408	23.2
200.13622	0.7
210.10281	1.1
213.10329	0.6
214.09874	33.4
215.10123	2.4
226.09848	1.8
228.11417	1.3
244.10828	2.8
256.08179	1.0
256.10904	18.7
257.11224	1.5
257.81958	0.6
261.12286	0.7
267.10843	2.2
268.10837	2.9
279.13498	0.9
286.11990	1.5
304.13046	29.6
305.11026	1.0
305.13864	1.2
322.14084	100.0
323.14438	10.0
357.13367	0.7
359.14166	1.3
364.15137	3.1
365.14700	5.1
366.15039	0.8
449.15677	1.3
449.27908	0.8
466.18295	4.7
467.18976	0.8
509.21973	5.4
509.27795	0.7
509.33405	1.5
510.19864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03446	1.3
58.00595	5.6
59.01379	100.0
60.01710	1.3
61.98826	3.5
69.33421	2.8
69.33852	2.4
71.01385	75.3
72.01724	0.9
72.99319	5.5
73.02957	1.6
74.99067	0.5
75.00860	0.8
83.01370	0.8
83.02241	0.5
85.02961	9.4
87.00889	3.2
88.98834	0.7
89.02454	98.2
90.02785	1.3
91.46967	0.4
91.74065	0.5
93.03455	0.8
95.01380	0.7
99.00851	0.8
101.02457	8.8
108.02193	3.2
109.02946	0.7
113.01688	0.7
113.02467	12.5
117.03463	1.4
119.03503	3.5
119.05006	0.6
119.10034	0.5
120.99677	0.9
121.02972	5.9
122.03816	1.0
123.04534	4.4
125.02464	1.8
131.03528	15.9
133.02954	2.1
134.03728	1.3
135.04530	1.3
136.01610	0.5
137.02472	0.7
139.11313	1.6
145.02959	6.7
146.03699	1.6
147.04512	1.7
149.02496	1.3
149.04573	20.6
150.03258	2.9
151.00429	1.0
151.04013	2.0
152.01277	0.6
155.10797	0.7
161.02492	6.9
161.04526	1.1
162.03244	97.6
163.03580	5.1
164.04836	0.5
165.05551	3.2
166.06367	24.6
167.03526	0.8
167.06709	1.5
169.01462	1.9
174.73326	0.5
177.05588	97.1
178.05928	6.2
180.04282	4.0
181.05084	1.2
181.08730	12.4
181.12297	0.9
182.09113	0.7
183.10275	1.2
195.06647	11.7
196.07051	0.7
200.43634	0.5
221.06558	0.7
227.13002	1.2
241.03122	0.7
243.12355	0.8
283.10388	0.7
287.02069	0.7
287.14996	1.4
311.09613	0.5
313.05576	0.7
315.01328	0.7
317.15979	2.0
327.10776	1.5
329.13742	0.6
357.11514	0.8
449.19995	1.1
461.17966	1.0
491.20618	0.6
509.15189	1.7
509.22479	8.9
510.22021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28227	0.5
57.03438	1.2
59.01379	14.9
61.98833	47.9
64.68176	0.4
67.01873	0.8
69.03452	1.2
69.37648	5.6
71.01388	10.7
71.56210	0.5
72.99322	3.0
73.02945	3.0
74.99094	1.0
76.53201	0.5
79.01909	1.0
81.03485	0.7
83.01381	1.2
84.10299	0.4
84.74902	0.4
85.02966	3.8
85.06569	0.5
87.00893	1.9
88.98820	1.2
89.02464	5.0
93.03467	0.8
95.01381	2.1
96.96049	0.9
97.02946	1.4
99.00889	1.1
101.02465	5.9
104.64189	0.5
107.01395	7.2
107.05037	2.8
108.02195	1.0
109.02962	2.6
111.00900	2.1
113.02444	3.8
116.81418	0.5
116.92855	0.7
119.03501	1.7
119.05019	1.2
120.99682	2.1
121.02967	1.4
122.03747	1.3
123.00909	12.2
123.04553	2.5
124.01698	1.9
125.02464	42.6
126.02757	1.5
127.00349	0.9
127.96278	0.5
134.03760	5.3
135.04547	20.6
136.01668	0.6
136.05255	1.1
136.98956	1.6
137.02478	3.4
137.06081	0.7
139.00374	3.1
139.03995	1.4
140.01178	2.5
141.01936	1.5
141.09203	0.8
143.03539	0.6
146.03755	4.2
147.04506	1.9
148.91306	0.6
149.02501	1.0
149.04916	0.5
149.06081	4.1
150.03250	1.2
151.00395	8.6
151.04012	2.1
151.07631	0.9
152.01094	0.8
153.01973	2.7
153.05591	0.9
155.10771	0.7
161.04582	1.7
161.06105	1.6
163.04031	1.0
163.06143	2.3
164.04884	2.5
165.01927	6.4
165.05605	3.7
167.03520	3.4
167.07173	3.1
168.00655	5.4
169.01447	57.9
169.08690	0.6
170.01744	2.4
171.03864	0.5
172.06593	0.5
175.03918	0.6
177.05591	0.6
179.03598	3.3
179.05627	0.6
179.07124	9.6
180.04338	3.9
181.01411	0.9
181.05115	1.9
182.02153	0.6
183.02982	1.6
183.10223	1.4
193.05107	0.7
195.06638	18.4
196.06905	0.8
197.04573	1.2
199.09720	0.6
205.05081	0.5
210.05525	0.9
211.02461	4.5
223.02464	1.1
223.06119	1.0
225.07620	3.5
233.04518	0.5
238.08345	0.8
241.03589	1.0
253.03458	0.6
253.10776	1.8
255.11508	0.5
271.04596	3.8
275.02127	1.0
285.12308	0.6
297.06183	1.4
299.12811	1.1
300.99991	0.6
311.07629	1.5
313.05606	14.2
313.13074	3.5
317.16089	1.0
319.07401	0.5
329.10175	1.0
331.06723	1.2
367.13916	1.4
431.13385	0.9
446.17084	1.8
447.29205	0.6
449.23825	2.0
461.18176	11.5
462.18439	1.8
473.17914	1.5
479.07401	0.7
491.11945	6.4
491.18964	1.3
492.12222	0.8
509.12970	100.0
509.20007	4.0
509.28778	7.3
510.13187	12.9
510.20551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1299
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
57.03458	0.5
58.00596	1.0
59.01120	0.5
59.01384	5.2
61.98837	5.5
62.66654	0.5
63.67713	0.5
65.88684	0.5
67.01883	1.6
69.03452	1.2
69.66868	4.6
71.01392	6.7
72.99301	2.3
73.02945	2.5
73.89251	0.5
74.99088	0.8
75.00874	0.7
79.01907	1.2
83.01378	1.9
85.02955	3.1
87.00888	1.2
89.02457	2.7
93.03503	0.7
95.01409	2.9
96.96030	0.8
97.02942	1.4
98.19833	0.6
99.00888	1.2
101.02443	3.7
106.95271	0.6
107.01404	6.7
108.02182	4.2
109.02969	3.4
111.00900	4.0
113.02451	2.9
119.04971	0.9
120.99648	1.2
121.02937	2.0
122.03699	1.4
123.00916	14.8
123.04497	2.2
124.01694	1.5
125.02470	38.7
126.02795	1.3
127.00413	1.1
131.03442	0.6
135.04521	1.1
136.01653	0.6
136.98856	1.8
137.02435	1.5
138.03247	0.7
139.00400	5.8
139.03940	1.0
140.01192	4.6
141.01927	2.4
143.03526	0.6
145.02946	2.0
146.06110	0.8
147.04529	0.7
148.04048	0.5
149.02432	1.4
149.06125	0.6
150.03255	16.9
151.00394	11.1
151.04063	3.0
152.01181	4.2
153.01956	3.3
153.05595	0.6
154.99937	0.7
161.02458	0.8
161.04489	1.2
162.03230	4.3
163.03943	2.4
164.04785	0.6
165.01907	1.0
165.04312	1.1
165.05591	12.3
166.99878	0.9
167.03485	0.8
167.05490	0.5
168.00661	7.3
169.01453	66.1
170.01759	1.9
174.05495	0.7
175.03906	0.6
177.01964	0.6
177.05597	3.1
179.03493	0.8
179.05670	0.7
180.04289	3.5
181.05020	1.2
183.03006	2.8
185.08260	1.1
189.05522	1.0
193.01422	0.5
193.05064	1.1
194.05859	0.6
195.06645	6.8
211.02446	3.2
221.63933	0.6
225.03958	1.8
229.01328	0.6
241.03481	1.5
271.14453	1.1
275.01907	0.5
285.06100	1.6
297.06177	2.4
299.13959	1.3
300.99814	1.2
313.05658	24.6
314.05896	1.2
315.07156	1.2
317.10257	1.2
317.15988	1.1
327.07141	1.8
343.12921	1.1
347.11282	3.2
355.11880	0.5
368.60275	0.6
371.12311	0.6
389.13565	1.2
473.16830	0.8
479.11963	26.8
480.12082	2.6
491.11618	24.6
492.12186	3.5
509.12811	100.0
509.29266	2.0
510.13245	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	509.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	0.6
59.01380	8.5
61.98528	1.0
61.98830	21.7
67.01945	1.2
69.03494	1.5
69.25980	0.6
71.01391	10.4
71.68409	0.9
72.99361	2.8
73.03007	1.8
74.99136	1.5
75.00921	1.8
78.95953	0.8
79.01929	1.2
83.01437	1.8
85.02946	3.1
87.00932	2.0
88.65819	0.7
88.98859	2.6
89.02451	4.4
93.03500	1.5
95.01447	2.8
95.97761	0.5
96.96066	2.7
96.97028	1.8
97.02946	3.3
99.00912	1.0
101.02463	4.8
103.00417	0.7
103.04073	1.1
105.01997	0.9
107.01409	11.4
108.02197	15.9
108.02880	1.0
109.03017	3.8
111.00900	3.6
113.02458	4.0
116.92859	1.0
119.03542	1.0
119.05060	0.9
120.99721	1.2
121.02963	1.5
123.00904	14.5
123.04540	22.1
124.01708	1.8
125.02465	72.7
126.02832	1.9
127.00432	1.0
133.02922	0.9
135.04555	1.6
136.01672	28.0
136.99042	2.5
137.02504	6.5
139.00383	4.3
139.04060	1.2
140.01169	4.6
141.01955	2.9
143.07179	1.2
145.02946	1.0
147.04591	0.8
149.02510	1.4
150.03264	1.3
151.00394	10.4
151.04033	21.7
152.01137	2.0
153.01938	2.7
161.02487	4.4
161.04478	0.8
162.03238	0.9
163.04056	1.4
164.04631	0.9
165.01939	1.8
165.05647	0.7
166.99789	0.7
167.03528	1.9
168.00630	4.3
169.01447	100.0
170.01857	3.6
173.04572	0.7
175.02588	0.8
175.03989	1.1
177.01935	2.1
177.05611	2.5
179.03493	2.0
179.05571	1.1
180.04317	1.2
181.01454	0.8
181.05180	0.6
183.02995	1.7
191.03505	1.5
191.05690	0.7
193.01369	1.6
195.03004	1.9
195.06573	1.2
199.04051	0.8
201.01837	1.0
201.05539	0.8
203.03447	1.4
205.01416	5.4
206.02086	1.8
211.02444	4.8
217.01399	0.9
221.04556	3.5
223.02359	0.9
228.04292	0.7
229.01392	1.5
231.02635	0.9
233.04291	0.7
241.03381	2.2
243.02806	0.8
249.03900	1.1
253.03348	1.0
255.02956	1.1
267.10876	1.0
270.05096	2.4
271.04620	1.7
275.02078	3.4
285.07541	1.0
287.05115	0.9
291.00919	0.6
297.06299	0.8
300.99890	6.8
302.00232	1.2
311.07654	4.0
313.05646	54.5
314.05914	4.7
325.11176	0.8
327.07114	1.1
329.06671	3.1
358.56146	0.7
413.10437	0.8
437.10605	1.5
446.13303	2.7
447.10806	0.8
449.02646	0.7
449.16068	0.7
449.23895	0.8
465.10391	31.3
466.10648	3.1
473.13080	3.9
479.11252	2.0
491.10956	1.2
508.53085	0.9
509.08740	74.6
509.54184	1.2
510.09073	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	508.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95438	0.2
59.01380	1.9
61.98833	100.0
66.38419	0.2
70.92207	0.7
71.05064	0.4
75.36523	0.2
78.95921	1.2
80.02712	0.4
81.03474	0.8
83.05036	1.3
93.03493	0.3
95.05044	0.5
97.02977	0.7
97.06641	0.5
109.02954	0.3
109.06609	2.9
110.03751	0.3
111.04550	0.6
112.92532	0.2
113.41898	0.2
123.08195	0.3
125.09755	1.3
135.08174	0.5
138.87462	0.2
140.01227	0.3
142.02728	0.3
151.07742	0.4
161.09776	0.5
163.11308	2.8
165.12862	0.5
171.10257	1.7
177.12881	0.3
179.10895	0.2
181.12413	0.6
181.96518	0.2
183.13994	0.4
185.11809	1.2
191.10844	0.3
195.13942	0.3
196.03944	0.4
207.10274	6.4
207.12125	0.4
209.11850	16.8
221.11827	0.4
223.13438	0.9
225.11311	4.1
227.12874	2.7
231.10373	0.4
235.13417	0.3
245.11841	0.3
247.13452	0.3
249.11263	0.5
263.12988	0.5
281.14017	0.5
293.21252	1.8
299.15149	1.0
319.15640	0.3
337.16769	0.3
372.26166	0.2
373.24048	0.3
393.13019	0.3
399.21985	0.5
417.22818	0.3
420.18210	0.4
447.24161	0.5
447.31076	0.6
448.31476	4.6
449.32059	0.7
465.25165	0.6
472.12500	0.3
473.25534	3.1
473.31888	0.3
491.26486	2.4
508.38171	0.4
508.86298	0.3
509.27017	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	507.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.2
57.03448	3.5
58.00590	1.2
59.01380	22.4
60.01711	0.4
61.98827	1.0
67.24522	0.1
68.99825	0.4
69.03455	0.8
69.44402	0.2
69.44680	0.4
69.45096	1.1
70.40360	0.1
71.01385	41.6
72.01727	1.1
72.99305	1.8
73.02950	13.3
74.03295	0.2
75.00880	0.6
81.03468	0.2
83.01395	7.1
84.02171	0.2
84.34993	0.1
85.02958	21.3
86.00114	0.8
86.03312	0.5
87.00882	2.1
89.02452	8.0
90.02798	0.3
95.01394	3.8
97.02973	1.1
99.00237	0.3
99.00890	5.6
101.02454	30.9
102.02782	0.7
108.02208	0.3
109.02968	0.2
111.00903	2.5
113.02462	17.4
114.02810	0.6
117.99781	0.2
119.03528	2.8
120.03884	0.2
125.02461	1.1
129.01959	1.0
131.03531	0.5
131.32857	0.2
139.00383	0.2
141.01962	0.4
143.03517	2.0
144.03886	0.2
146.03859	0.2
149.04593	0.2
157.12343	0.5
159.03009	4.0
160.03267	0.1
161.04573	15.4
162.04861	0.7
171.13927	0.4
179.05678	0.7
205.03542	0.5
223.20680	0.4
239.20309	0.2
255.59842	0.2
265.21616	0.1
279.01599	0.2
297.24255	0.3
299.25900	1.5
310.28494	0.2
327.28857	0.2
343.28589	0.3
344.15515	0.1
345.16113	0.2
345.30103	9.6
346.30435	0.9
447.25998	0.3
507.35333	100.0
508.35703	18.2
508.43762	0.2
530.91766	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
57.03450	3.0
58.00597	1.3
59.01381	20.6
60.01698	0.2
61.98825	1.3
67.01885	0.2
67.64394	0.1
68.99819	0.3
69.03454	0.6
71.01385	42.6
71.05035	0.3
71.76476	0.2
72.01725	0.5
72.99314	1.8
73.02952	13.3
74.03277	0.2
75.00866	0.8
79.69083	0.1
81.00182	0.1
81.03477	0.3
83.01395	7.0
84.01720	0.2
84.02187	0.3
85.02959	20.8
85.06570	0.1
86.00108	0.5
86.03297	0.4
87.00885	2.1
88.98817	0.5
89.02455	8.6
90.02842	0.1
93.03478	0.2
95.01398	3.6
96.01762	0.1
97.02978	1.2
99.00894	6.1
101.02457	28.5
102.02800	0.4
109.02940	0.1
111.00901	2.8
111.08179	0.2
113.02464	17.1
114.02791	0.3
119.03522	2.5
123.04504	0.2
125.02477	1.2
127.11318	0.4
129.01974	0.8
131.03525	0.4
137.09760	0.2
139.00388	0.2
141.01979	0.5
143.03526	1.8
149.04585	0.4
153.05568	0.2
155.10851	0.2
159.03012	3.7
160.03348	0.2
161.04578	14.0
162.04929	0.5
166.04875	0.1
169.01410	0.1
169.12328	0.1
171.13895	0.6
179.05603	0.6
179.07011	0.1
180.07906	0.2
183.13918	0.4
205.03561	0.5
211.13414	6.5
212.13774	0.4
223.09695	0.2
223.20659	0.2
227.16486	0.4
253.09276	0.8
279.23322	0.2
293.24774	0.2
297.12012	0.2
299.25931	1.7
300.26361	0.2
311.25653	0.1
315.18219	0.2
340.18066	0.8
345.30087	9.3
346.30545	0.7
375.23819	0.3
427.20346	0.4
447.22159	0.8
448.22440	0.2
471.30234	0.1
477.19424	0.2
489.18951	0.4
507.35361	100.0
508.23077	0.4
508.35703	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	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
57.03434	0.9
58.00584	0.7
59.01379	19.8
61.98827	2.4
65.67829	0.4
69.36814	4.6
71.01384	17.3
71.05060	0.4
72.99281	0.5
73.02953	4.9
75.67891	0.4
81.03461	1.1
83.01394	1.9
85.02960	6.1
87.00880	1.4
88.98817	0.9
89.02457	11.0
95.01410	1.4
97.02959	0.4
97.06599	0.6
99.00890	1.4
101.02459	11.7
103.04011	0.6
110.44456	0.4
111.08171	1.6
113.02473	5.8
115.04056	0.5
117.05602	1.4
119.03516	4.2
125.02471	1.4
131.03523	2.3
131.47081	0.4
135.06659	10.0
137.02478	0.5
143.03468	0.9
149.99692	0.5
159.03043	0.8
161.04575	4.0
165.12856	10.2
165.14255	0.6
168.00644	0.7
177.63834	0.4
178.97488	0.4
179.05615	1.2
183.13910	52.5
184.14243	2.7
195.14038	0.4
197.15460	9.4
198.15865	0.5
205.07336	0.4
207.13918	1.0
209.11775	1.9
215.19086	0.4
225.14981	1.1
227.12889	7.1
228.13200	0.4
279.10730	1.9
297.11896	11.5
298.12195	0.7
315.18118	5.7
327.23410	0.4
372.42621	0.4
447.22198	7.6
447.27737	0.5
448.22379	1.0
465.12631	0.5
489.23480	0.9
507.24432	100.0
508.12427	0.5
508.24796	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	507.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	10.2
61.98509	4.9
61.98830	71.1
63.24545	3.4
71.72456	3.6
74.20564	3.2
78.95928	4.0
96.96045	4.4
96.97046	3.2
110.34365	3.9
141.34354	2.9
152.99536	3.9
171.78716	3.4
279.22241	5.5
283.68088	3.7
286.98279	4.9
298.94485	3.5
471.34866	100.0
472.35150	18.4
507.26028	7.3
507.36313	17.6
519.23706	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	507.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36914	0.9
56.37247	1.3
59.01378	10.7
59.97050	1.2
61.98833	22.8
71.01411	1.5
71.05016	1.5
78.95908	1.0
81.60591	0.9
85.06615	3.5
87.04533	1.7
95.05070	0.9
96.96037	2.0
97.06608	1.8
105.27607	0.9
125.09726	1.3
139.49002	1.0
151.11298	2.8
152.64771	1.2
153.12845	1.7
167.37532	1.0
185.81961	0.9
209.11812	1.8
209.22098	1.0
225.11441	1.2
279.19766	1.3
307.23080	1.6
383.29724	1.0
411.29291	1.3
429.30090	12.1
430.30554	1.5
445.22351	1.2
447.31158	100.0
448.31616	12.7
463.23386	3.3
491.13202	1.0
507.32999	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	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44200	0.6
53.20599	0.5
55.85598	0.5
57.03450	1.4
59.01382	100.0
60.01729	0.6
64.73277	0.6
70.39688	0.5
71.01386	9.3
71.29668	1.4
71.31724	0.6
72.43868	0.5
73.02962	3.5
78.45236	0.6
83.01416	1.4
84.03864	0.6
85.02958	5.1
87.00892	0.7
89.02479	1.4
95.01378	1.1
99.00901	1.9
99.04547	1.7
101.02464	9.4
109.06595	0.6
113.02460	3.1
117.98614	0.5
121.06574	0.7
125.02512	0.8
159.02957	0.9
161.04576	5.6
165.12857	1.2
182.80577	0.5
189.12895	1.1
207.13971	3.1
209.11868	5.4
210.12112	0.7
225.14998	6.9
226.15367	0.6
227.12888	27.2
228.13272	1.3
237.09801	6.0
269.13898	1.4
279.10895	1.7
287.14902	0.8
308.75702	0.6
429.21500	0.6
442.65042	0.6
474.37930	0.7
489.23511	8.9
490.23886	1.2
507.24469	96.3
508.24911	10.0
509.95648	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29850	0.5
52.41864	0.4
54.04008	0.4
55.01884	0.8
57.03437	1.6
58.00604	0.6
59.01380	24.4
60.01706	0.5
60.99289	0.7
61.98830	3.7
69.03450	1.6
70.97460	0.4
71.01384	18.6
72.99306	1.1
73.02946	4.1
75.00874	0.8
77.31638	0.4
80.54068	0.4
81.03481	0.7
83.01395	1.9
85.02961	6.2
87.00871	1.6
87.04520	3.8
87.92955	0.4
88.98813	10.1
89.02458	12.1
93.03482	0.5
94.76402	0.4
95.01421	1.1
99.00893	1.5
101.02450	11.7
111.08174	1.7
112.22998	0.4
113.02465	6.8
117.05592	3.6
119.03504	3.5
125.02487	1.0
131.03534	3.4
135.06657	9.4
135.50713	0.4
137.02454	1.2
143.03485	1.0
149.76054	0.5
152.01212	0.5
153.09241	1.5
159.03064	0.6
161.04581	4.1
161.68326	0.4
165.05650	0.5
165.12862	11.1
166.13229	0.6
177.07623	0.5
179.05611	1.3
183.13911	58.6
184.14255	2.8
189.84761	0.4
191.10562	0.6
197.15462	5.5
209.11887	1.7
225.15004	0.8
227.12881	4.9
228.13181	0.5
243.44055	0.4
279.10812	1.4
297.11884	11.3
315.18121	7.2
316.18506	0.5
447.22183	5.8
448.22690	0.7
450.10944	0.4
489.23645	1.0
507.24454	100.0
508.24826	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	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.9
57.03467	4.8
58.00607	3.3
59.01380	98.8
60.01731	2.0
60.99318	5.6
61.98833	38.2
61.99134	2.4
69.82262	5.7
69.82672	5.3
71.01388	100.0
72.01750	1.9
72.99332	6.8
73.02958	24.2
73.68990	1.8
78.95896	1.5
83.01390	7.8
85.02961	28.9
87.00928	4.2
88.98815	39.5
89.02454	82.7
90.02825	2.6
93.03484	2.5
95.01441	6.8
97.02980	2.3
97.64320	1.5
98.19875	3.6
99.00877	18.0
101.02457	54.8
108.02234	3.2
113.02470	28.4
119.03526	20.4
119.05004	11.7
123.04585	2.8
125.02511	5.3
131.03499	20.3
134.06125	1.9
135.06563	1.8
136.07762	5.7
137.02536	5.0
137.08093	2.6
137.36436	1.5
139.04054	1.5
143.03601	5.8
145.02992	1.6
149.04575	44.9
155.10791	1.8
159.03130	2.6
161.04584	14.9
163.03995	11.7
167.10876	4.8
179.05650	12.1
183.13914	3.3
191.05630	10.7
199.09726	2.0
210.79097	1.6
211.02321	1.7
211.13416	13.6
227.16643	6.2
228.31171	1.7
231.54863	1.6
251.07878	3.2
259.99704	3.0
267.19632	7.5
273.20709	1.7
279.01556	4.3
287.99173	1.8
293.08997	2.6
293.17728	1.8
303.01752	2.1
311.18869	3.6
315.18344	6.9
345.26483	3.1
345.30273	4.9
375.24261	7.1
431.18307	4.4
447.22220	84.7
448.23209	7.2
463.26898	2.2
475.17307	3.7
507.11777	8.2
507.19946	7.7
507.27347	5.1
507.35736	62.6
508.12457	1.7
508.23361	5.5
508.35916	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	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90552	0.5
57.03447	1.1
59.01381	100.0
60.01711	1.0
61.98836	2.5
66.02294	0.6
70.13662	1.7
70.14059	1.2
71.01390	9.9
72.99323	1.3
73.02951	3.0
74.87569	0.5
83.01412	2.2
84.01163	0.5
85.02979	4.5
87.00878	1.1
89.02467	3.4
93.03486	1.9
95.01414	1.2
95.05050	0.8
96.18494	0.5
96.96067	0.6
97.06618	0.6
98.01311	0.6
98.20011	0.8
99.00921	1.4
99.04539	1.6
101.02453	8.6
101.07326	0.5
113.02486	3.7
118.17731	0.5
119.03529	1.8
119.05074	0.8
120.99670	0.6
121.02952	0.7
123.00943	0.9
125.02519	1.3
133.04915	0.5
135.04593	0.6
135.08163	0.6
137.02473	3.3
139.00401	2.3
139.11324	1.6
140.01175	0.8
143.03514	1.0
145.02951	1.2
146.65022	0.6
147.07346	0.5
149.02423	0.8
150.03218	0.8
155.10774	0.6
159.03062	1.0
161.04568	4.0
163.04066	0.9
165.12936	1.3
167.10799	0.7
169.01459	0.8
177.01900	0.7
179.03514	1.6
181.12297	0.9
182.99384	2.7
183.02962	1.7
183.10333	2.3
189.12875	1.0
198.01697	1.4
199.13406	1.9
207.06648	1.0
207.13892	3.0
209.11888	6.1
225.11469	0.8
225.14958	7.1
226.15474	0.6
227.12900	30.5
228.13202	2.1
237.09789	6.2
239.05598	1.6
243.34158	0.6
251.12978	0.6
269.13968	1.9
279.10791	2.1
287.14984	0.7
295.28955	0.6
316.02402	0.9
331.04623	2.2
345.13538	1.2
489.23227	9.5
507.11877	3.2
507.24518	90.1
508.24924	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	507.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.03437	1.5
57.67366	0.5
58.00589	0.5
59.01377	34.2
60.01712	0.6
61.98832	1.7
62.92104	0.5
69.03462	0.5
69.37292	4.7
71.01382	17.4
72.01726	0.6
72.99304	1.7
73.02956	6.3
75.00877	73.2
76.01226	0.5
81.03456	0.7
83.01382	3.2
85.02964	4.9
87.00895	1.4
87.04549	0.8
88.98854	0.8
89.02451	6.1
95.01411	1.1
96.96023	0.6
97.02953	0.7
99.00900	1.3
99.04543	1.3
101.02451	9.9
101.03084	0.7
102.02833	0.4
102.98690	0.5
109.02924	0.7
111.00887	0.7
112.04055	0.7
113.02457	5.0
116.92869	0.8
117.01949	1.6
119.03535	1.8
120.99679	1.2
121.02986	0.5
123.00942	0.7
125.02445	3.1
127.82704	0.5
129.01981	3.1
131.03542	1.0
135.04585	0.9
137.02483	1.0
137.09720	1.1
143.03534	0.9
149.02556	0.5
149.04716	0.5
151.03983	0.4
153.01952	0.7
155.10786	4.6
159.02989	0.6
161.04572	0.9
163.04001	0.7
163.06181	0.5
165.05531	0.5
165.12755	0.4
169.01414	3.2
169.12294	0.9
177.05598	0.4
179.05684	0.4
179.07236	0.6
187.06160	0.6
188.04758	0.5
193.07266	1.0
199.09789	1.3
199.13495	1.1
207.13945	1.2
209.11862	2.0
219.03020	0.6
219.05098	8.9
220.05434	0.5
225.15030	1.0
227.12917	4.4
228.13258	0.6
237.06154	45.6
238.06476	1.6
241.10822	0.6
251.12892	0.4
269.13919	1.6
279.07220	18.7
280.07449	1.2
283.26489	0.7
287.15018	4.9
288.15549	0.5
313.05566	0.6
325.11493	0.5
327.08682	1.7
345.09641	0.5
373.22632	0.7
374.22888	0.9
375.22879	1.7
429.17502	1.1
447.18320	2.5
463.11969	0.5
489.19879	6.4
490.20132	0.7
507.20844	100.0
507.27301	5.6
508.13919	0.8
508.21161	14.3
508.28680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88721	0.4
55.01862	0.5
58.99600	1.3
59.01381	100.0
60.01708	1.0
61.98833	13.0
71.01386	9.7
71.26369	0.9
72.99318	1.7
73.02949	2.1
74.99120	0.5
75.00899	0.6
83.01378	0.6
85.02969	2.8
87.00897	1.9
88.98820	1.8
89.02451	4.3
93.03443	0.8
95.01408	1.0
97.02977	0.6
99.00873	1.1
101.02452	4.1
102.98599	4.8
107.01443	0.6
108.02191	0.5
111.00860	0.5
113.02467	2.9
115.58588	0.5
116.92894	2.1
119.03566	1.2
120.99699	2.5
121.02958	1.4
123.00888	1.9
125.02464	8.1
126.02800	0.9
131.03542	0.6
133.05101	2.0
134.03726	2.1
137.02463	0.9
138.02000	4.7
139.00432	0.7
139.02344	1.8
139.04025	0.5
140.01117	0.5
143.03600	0.6
149.04619	0.5
149.06117	0.9
151.00388	1.4
151.03989	1.9
152.00861	0.5
153.05598	1.4
159.03069	0.9
161.04567	7.1
163.03983	0.8
167.07104	0.5
168.00665	0.8
169.01437	9.4
170.01826	1.1
178.02745	1.1
179.03433	0.9
181.05081	31.4
182.05447	1.5
193.01431	0.8
193.05023	2.3
196.07425	38.8
197.07829	1.7
199.42067	0.5
211.09773	90.6
212.10129	3.6
221.09743	2.0
235.08171	5.6
249.06190	0.5
265.08722	0.6
271.04855	0.5
272.04874	0.6
283.04971	7.1
309.07693	1.3
312.10098	1.1
313.05630	3.8
314.05750	0.5
327.08749	0.9
327.12494	1.6
341.08603	0.7
366.10721	0.5
417.14148	2.0
439.64435	0.5
444.12271	12.7
445.12631	1.8
447.13150	0.8
447.18546	6.3
448.19006	0.8
463.12021	0.9
507.10849	7.8
507.28244	0.9
508.11423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03434	3.1
58.00581	0.7
59.01381	28.2
60.50113	0.5
61.98833	5.5
66.75753	0.4
66.76122	0.5
67.01911	0.7
69.03465	1.1
71.01385	18.4
71.05029	0.5
71.37989	0.5
71.71432	0.8
72.26250	0.4
72.99312	2.3
73.02945	5.6
74.99081	1.2
75.00871	1.7
79.01896	0.9
81.03468	0.8
83.01398	1.9
83.05017	1.2
85.02960	5.8
87.00876	4.5
87.04511	0.7
88.98808	1.0
89.02441	9.3
90.02824	0.7
93.03452	3.0
95.01399	2.3
95.05046	0.8
96.42330	0.5
96.95972	0.5
97.02969	1.7
97.06631	0.5
99.00913	1.2
99.04552	1.4
99.92597	0.7
101.02455	11.8
102.02789	0.6
102.98627	1.9
107.01405	6.7
107.05088	0.8
108.02226	1.0
109.02951	2.2
109.06625	0.7
110.00107	0.5
111.00928	2.1
113.01761	0.9
113.02464	6.4
115.04073	0.5
116.92880	3.7
117.66040	0.5
117.92893	2.3
117.97345	1.0
118.92722	2.3
119.03518	4.8
119.08662	2.4
120.01244	0.7
120.99670	1.9
121.02980	0.8
121.05080	7.1
122.03710	0.9
123.00894	8.1
123.04542	1.7
124.01701	1.2
125.02462	46.8
126.02795	2.4
127.59771	0.5
131.03473	1.0
133.10301	0.8
134.03761	20.9
135.04614	3.0
135.08173	3.3
135.11819	1.2
136.99005	0.7
137.02458	4.5
137.06142	0.8
137.09737	16.8
138.03203	0.6
138.07024	0.5
138.10077	1.0
139.00421	2.9
139.04070	1.8
140.01175	3.2
141.01918	1.1
143.03488	1.5
145.05086	0.5
149.02536	0.6
149.06094	7.5
150.03262	1.7
151.00391	7.4
151.04070	1.6
152.00986	0.8
152.03581	5.7
152.04715	0.9
153.01974	1.4
153.03885	3.0
153.09225	2.3
155.10799	7.8
159.02966	0.7
161.02467	1.3
161.04575	3.0
161.09735	3.6
163.04016	1.6
163.07637	6.3
164.08003	0.6
165.01981	1.5
165.05605	1.2
167.03520	1.9
168.00688	3.9
169.01439	66.3
170.01791	2.2
173.04553	6.2
176.31799	0.5
178.02724	12.4
179.03479	2.4
179.05666	1.3
179.10793	5.1
180.04280	0.9
181.05074	1.4
181.08725	9.8
183.03004	1.5
185.07066	0.5
187.06174	0.9
191.03528	0.9
191.05534	1.0
191.07098	0.6
193.01378	1.0
193.05074	23.0
193.08690	2.6
194.05446	1.2
195.06694	1.4
197.11850	2.8
199.09802	2.1
205.05008	0.8
205.08711	0.7
206.41618	0.6
211.02609	2.0
223.09781	2.5
241.03465	1.1
241.10750	1.5
253.03691	0.6
254.75269	0.5
271.02368	1.2
283.04977	1.9
283.10303	5.2
286.49142	0.5
297.06104	0.6
300.02823	0.9
311.07733	1.9
313.05655	22.2
314.06000	1.0
315.08731	0.6
325.10724	0.5
330.11063	2.6
331.04520	1.3
343.11896	1.7
345.13379	4.6
355.10379	1.8
445.17209	2.4
463.12555	7.9
464.12845	1.2
489.04224	0.6
489.10263	2.5
489.19736	1.9
507.11493	88.0
507.20758	100.0
507.27762	6.8
508.11823	14.0
508.21097	12.9
508.28137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91035	0.5
57.01567	0.5
57.03434	2.0
58.00588	0.5
59.01382	25.1
61.98564	0.5
61.98833	7.7
69.03446	2.6
71.01385	11.9
71.05032	0.8
71.70298	0.9
72.99286	1.1
73.02945	5.3
74.99069	0.7
75.00890	0.9
81.03447	1.0
83.01361	2.1
85.02966	4.8
87.00877	1.9
87.04528	1.1
88.98800	2.2
89.02454	5.7
93.03445	1.9
95.01385	2.0
96.03667	0.6
97.02922	2.7
97.06554	0.7
99.00877	2.0
99.04520	0.9
101.01859	0.8
101.02457	7.9
107.01421	1.1
108.02197	10.4
109.03004	3.0
111.00877	1.3
113.02458	4.0
116.92775	0.7
117.03436	0.7
119.03484	1.5
119.05047	1.3
119.07145	0.6
120.99669	0.8
121.02950	2.6
122.03804	0.7
123.00915	8.1
123.03722	0.6
123.04530	6.5
124.01685	18.7
125.02462	41.9
126.02771	1.2
131.03494	1.0
132.02214	1.0
134.03770	7.6
135.04469	1.8
136.01704	0.7
136.99176	0.6
137.02472	6.0
139.04024	0.9
139.11345	3.2
143.03503	0.8
145.02963	1.1
147.04530	1.7
149.02489	0.9
149.04568	0.7
149.06175	1.2
149.99602	32.0
150.03195	1.0
151.00401	2.7
151.03946	0.8
151.11391	1.1
152.01190	3.4
153.01897	2.0
155.10785	0.5
160.01682	7.9
161.02359	2.0
161.04594	3.5
161.05780	0.8
162.03189	1.7
163.04015	5.1
164.04768	0.5
165.01881	1.6
165.05605	3.2
165.09195	1.3
165.12776	0.5
167.03438	1.2
168.00661	61.3
169.01398	7.5
174.29660	0.6
175.02498	0.7
175.04025	9.4
177.05649	0.9
179.03429	1.5
179.07196	0.9
181.05054	0.7
181.12338	2.1
183.10306	5.4
183.13828	0.8
190.02666	0.7
193.01353	0.7
193.05032	4.7
195.06552	1.3
195.10207	2.0
197.11792	2.2
199.13431	1.0
205.05035	0.8
225.11378	0.8
227.12881	3.0
228.03986	0.6
231.16023	0.9
236.77705	0.6
237.09769	0.6
239.05536	0.9
260.60480	0.6
263.11862	0.6
269.10315	0.9
275.01938	1.0
281.12350	2.0
287.07916	0.6
311.09073	0.6
313.05685	4.2
313.13522	0.6
327.10846	4.8
329.02939	2.2
331.06732	15.1
337.09235	1.2
345.13641	0.7
345.22717	0.8
348.10138	0.5
361.16373	2.5
375.23825	1.5
406.69305	0.6
432.15707	0.6
463.12097	0.8
477.17667	1.2
489.10745	0.8
489.17468	2.8
489.23621	1.1
506.23349	0.7
506.35318	1.9
507.11331	100.0
507.22748	25.2
508.11636	12.6
508.22910	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	507.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
59.01374	7.2
60.01690	0.5
60.99279	0.5
61.98833	6.7
63.96262	0.5
67.01907	0.9
69.03461	1.3
69.30472	0.4
69.83694	1.1
69.84111	2.7
71.01389	7.7
72.99279	1.0
73.02959	2.2
74.99113	1.2
75.00869	0.5
80.44869	0.5
81.03452	0.7
83.01414	0.9
83.05067	0.6
85.02956	2.1
87.00880	1.1
88.98817	5.3
89.02448	2.5
93.03448	0.7
95.01397	1.1
96.96012	0.6
97.02984	1.2
98.20592	1.0
99.00928	1.0
100.39659	0.5
101.02463	3.9
102.98617	0.7
107.01411	7.8
109.02986	1.2
111.00880	1.6
113.02438	3.4
116.92870	0.6
119.03510	1.2
120.99676	30.5
121.02969	1.2
122.03772	0.9
123.00897	8.5
124.01682	1.0
125.02460	47.8
126.02838	1.1
133.02972	0.8
134.03758	20.9
135.04588	3.0
136.98949	0.8
137.02466	5.5
139.00366	2.7
139.04051	1.7
140.01152	1.9
141.01964	1.2
145.02995	0.8
149.02444	0.6
149.06102	7.7
151.00410	7.2
151.04047	0.9
152.03549	4.1
153.01971	1.1
153.03912	2.0
154.42113	0.5
161.02469	0.8
161.04478	0.6
165.02008	0.5
167.07159	1.0
168.00664	3.2
169.01440	69.5
170.01797	2.7
178.02733	15.7
179.03491	3.0
179.05670	0.8
179.07149	0.8
181.01389	0.6
183.03027	1.1
193.01360	0.9
193.05067	22.3
194.05389	1.0
211.02501	2.7
223.02547	0.6
237.04311	0.5
241.03493	1.6
259.15417	0.5
269.08136	0.5
271.04370	0.6
283.04837	0.7
296.10434	0.6
299.04312	0.7
299.74872	0.5
300.09967	1.2
310.08548	0.7
311.09222	1.4
312.10052	3.3
313.05637	35.1
314.05969	2.3
315.12067	3.2
327.12454	6.8
328.12653	0.7
345.13315	2.3
430.31320	0.5
445.12677	0.6
447.22552	1.3
463.12360	2.0
464.12665	0.6
477.17422	0.7
507.11414	100.0
507.18723	5.4
507.27789	4.1
508.11713	14.5
508.28180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.078
Annotation	Patuletin 3-glucuronide
Peak:m/z	Relative Intensity
53.62694	0.3
55.01854	0.4
57.03410	1.3
58.00573	0.7
59.01382	14.9
59.66001	0.3
60.01688	0.5
61.98834	3.4
63.02353	0.8
65.00296	1.2
69.03439	0.5
71.01385	11.8
71.05009	0.4
71.49801	0.4
71.50133	0.6
72.99268	1.6
73.02946	2.5
74.99062	0.4
75.00842	1.6
81.21803	0.4
83.01356	1.4
85.02954	6.6
85.06557	0.4
87.00882	2.4
87.04484	0.5
88.98781	0.7
89.02442	5.3
90.02787	0.4
93.03427	0.7
95.01410	1.9
97.02918	0.5
99.00871	1.8
99.04564	0.4
99.33353	0.3
101.02461	4.1
102.98556	0.4
103.00338	0.9
103.04012	0.4
104.43481	0.3
107.01418	3.1
108.02200	3.9
109.02991	2.6
109.06498	0.5
112.04018	0.7
113.02470	6.6
115.00401	0.6
116.92817	0.9
117.01942	0.6
119.03491	1.2
119.04977	0.8
120.99627	1.3
121.02907	0.7
121.05027	0.6
123.00876	0.6
123.04488	1.5
123.08118	0.5
124.01637	1.6
125.02489	2.0
129.01932	0.7
131.03409	0.5
134.03706	1.3
135.00845	0.5
135.04543	0.9
135.08147	0.6
136.01637	1.5
137.02461	3.3
137.09709	3.3
139.00365	0.4
139.03987	1.0
140.56599	0.4
143.03467	0.9
143.07054	0.4
145.02928	1.0
145.05029	0.5
146.03769	3.4
147.04449	1.3
149.06049	1.0
150.03096	0.5
151.00380	11.4
151.04007	3.0
152.01199	2.6
153.01865	1.0
153.09164	0.6
155.10805	8.7
155.21043	0.4
156.10986	0.5
160.01680	0.6
161.02466	0.6
161.04697	0.8
161.06081	1.6
163.00398	3.8
163.02701	0.6
163.04024	10.4
163.06079	1.8
163.07565	1.0
164.01189	2.6
164.04768	2.6
167.07048	0.4
169.01414	2.1
169.12286	1.0
173.08162	0.4
175.02507	2.6
177.01971	0.5
177.05618	0.5
178.98412	0.5
178.99892	8.9
179.05673	0.6
179.07141	6.1
179.10793	0.5
181.01364	0.6
181.05109	0.7
181.08678	1.4
187.03983	0.4
187.06102	0.8
191.03468	0.9
191.07181	0.5
195.10013	0.4
196.03766	0.5
197.11760	0.5
199.09715	1.6
203.03487	0.5
205.05090	0.4
206.05817	0.5
207.06584	0.8
211.06097	1.8
214.02696	2.6
215.03427	0.6
223.09808	0.7
227.03493	0.6
227.12747	0.5
231.03004	0.4
232.03745	0.6
241.10770	0.6
242.02228	2.8
243.02924	1.7
244.03522	0.5
255.02956	0.6
256.03653	0.8
259.02469	3.5
260.03098	1.0
270.01715	3.9
271.02448	17.2
272.02853	1.9
275.05527	0.7
281.00861	0.5
282.09012	0.4
283.04996	0.7
283.10220	0.8
287.01953	9.2
288.02670	2.6
297.11816	0.5
298.01224	1.1
299.01614	0.6
303.05170	0.7
309.11801	0.7
311.09341	2.7
312.09949	0.8
313.03482	0.8
315.01367	0.5
316.02246	39.5
317.02567	2.9
325.11044	1.0
326.11716	0.8
327.11252	4.6
328.11295	0.8
330.11270	1.4
331.04584	100.0
332.04895	7.9
342.11014	0.8
345.13416	4.8
353.12616	0.6
354.12463	0.4
357.13419	4.9
361.18509	0.4
365.12286	0.8
377.14633	0.8
477.17743	2.7
489.17963	1.9
491.13974	0.4
506.27032	0.6
507.07458	12.7
507.20850	27.8
507.28128	5.4
508.08289	1.7
508.20856	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	507.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08784	0.5
53.99678	0.7
55.10611	0.6
57.03442	1.9
59.01380	15.6
61.57015	0.5
61.98833	3.0
67.01891	0.9
69.03424	1.0
69.94299	3.7
71.01390	14.6
72.99309	2.6
73.02951	3.5
75.00871	1.8
79.01910	0.6
81.03481	0.7
82.65520	0.6
82.99449	0.6
83.01386	1.7
83.05016	0.9
83.19412	0.6
85.02962	4.8
87.00883	3.0
87.04501	0.7
88.98797	1.8
89.02453	6.4
93.03448	3.4
95.01402	1.6
97.02947	1.1
99.00887	1.4
99.04490	0.6
101.02460	7.5
102.98588	2.3
107.01408	6.6
108.02202	0.8
109.02970	1.9
109.06577	0.6
111.00893	2.3
113.02470	4.0
113.06078	0.7
116.92854	3.3
117.92886	1.9
117.97304	1.4
118.92664	1.7
119.03541	2.9
119.08641	1.0
120.01256	0.6
120.99642	1.8
121.02979	1.2
121.05122	3.4
122.03767	0.6
123.00903	9.8
123.04536	1.3
124.01657	1.6
125.02463	48.4
126.02793	1.4
127.00404	0.8
134.03764	22.6
135.04427	1.9
135.08182	1.3
137.02478	5.0
137.09752	7.4
138.03224	0.6
139.00426	2.8
139.04005	2.2
140.01117	1.8
141.01939	1.4
149.02509	0.7
149.06090	7.5
150.03241	1.6
151.00400	7.8
151.03990	1.1
152.01137	0.5
152.03557	3.3
153.01920	1.7
153.03902	1.8
153.09280	1.0
155.03520	0.8
155.10797	5.1
160.01593	0.7
161.02441	1.9
161.04559	1.5
161.09727	2.1
163.03969	0.7
163.06389	0.6
163.07603	3.0
165.01933	1.4
165.05527	1.0
166.02689	0.6
167.03471	1.2
168.00688	3.3
169.01443	67.6
170.01762	2.0
173.04564	6.7
174.01738	1.0
175.04027	0.8
176.04726	0.6
178.02724	13.4
179.03470	2.6
179.05589	1.0
179.10812	2.9
181.05083	0.9
181.08719	4.1
183.02951	1.2
183.10240	0.8
187.06053	1.5
191.07127	0.7
193.05072	21.7
193.08635	0.8
194.05428	1.2
195.06694	1.1
197.11847	0.7
199.09764	1.8
211.02490	2.2
219.88379	0.7
223.02335	0.6
223.09785	1.5
241.03603	1.6
253.03468	0.8
271.99588	0.6
283.05017	2.4
283.10425	2.5
311.07394	1.1
313.05621	21.9
314.06027	1.7
327.07050	0.7
328.09506	0.7
330.11121	1.6
338.94162	0.6
343.11789	1.9
345.13266	4.2
355.10263	1.6
420.80612	0.6
445.17078	1.6
463.12375	7.5
464.12540	0.8
489.10474	3.3
489.19492	1.0
495.06491	0.6
507.11380	100.0
507.20657	50.4
507.27814	5.7
508.11716	11.9
508.20990	5.3
508.28009	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	506.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33784	0.1
57.03439	0.2
59.01379	1.8
61.98831	2.2
69.41632	0.1
69.68017	0.9
69.68426	0.2
71.01391	1.2
72.99297	0.3
73.02942	0.3
74.99078	0.1
83.62178	0.1
85.02938	0.3
85.03861	0.1
87.00880	0.2
88.98808	0.6
89.02454	0.7
99.00875	0.2
99.92581	0.2
101.02462	0.6
102.98620	0.2
107.01448	0.1
109.02994	0.2
113.02465	0.3
116.92854	1.1
117.92855	0.8
117.97323	0.5
119.03527	0.2
120.99690	0.4
121.02976	0.5
122.03762	8.1
123.00853	0.3
123.04050	0.1
125.02443	1.0
131.03496	0.3
134.03755	0.3
135.04550	0.3
137.02464	0.3
137.09781	0.2
149.06131	0.1
151.00446	0.4
151.04044	0.2
152.03554	100.0
153.01923	0.3
153.03896	3.6
155.10793	0.3
161.02475	0.3
161.04637	0.2
163.03978	0.2
165.05603	0.1
169.01442	1.4
173.04585	0.1
177.02011	0.1
178.02739	0.2
193.05107	0.2
199.09775	0.1
228.17943	0.1
252.06412	0.1
269.08295	0.1
271.02353	0.2
283.10318	0.2
301.00092	0.2
313.05646	0.6
327.12723	0.2
422.02051	0.1
443.15860	0.7
463.13797	0.1
477.17813	0.2
489.18069	0.3
506.14526	0.7
507.11407	1.2
507.20526	1.6
507.28247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73369	0.2
57.03411	0.2
59.01382	2.9
61.93136	0.2
61.98832	100.0
71.01038	0.2
71.01391	1.1
71.73267	0.3
72.99340	0.3
75.00829	0.2
85.02983	0.2
87.00883	0.4
88.98848	0.3
89.02452	1.0
93.69356	0.2
96.96067	0.5
96.96996	0.3
99.00896	0.3
101.02458	0.5
107.01400	0.3
113.02464	0.6
116.92873	0.5
121.03007	0.2
123.00913	0.4
123.04461	0.2
125.02448	1.1
137.02515	0.3
159.38586	0.2
169.01451	0.6
177.01982	0.2
178.99765	0.2
183.02980	0.3
185.61893	0.3
198.05383	0.4
203.03665	0.2
229.01549	0.3
245.01070	0.3
271.04663	0.4
272.05161	0.2
275.01959	0.5
298.72467	0.2
300.99939	0.6
335.53207	0.3
355.12308	0.3
443.12997	0.5
443.18951	0.2
446.20172	0.3
462.90250	0.2
474.09778	0.3
507.14255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04785	0.4
50.16521	0.3
57.03445	0.7
58.99599	0.8
59.01382	6.9
61.98832	12.0
69.03468	0.6
69.50990	1.5
69.51406	2.3
71.01389	5.5
71.05006	0.6
72.99312	1.9
73.02950	1.7
74.99133	0.6
75.00886	0.7
82.74856	0.4
83.01392	0.9
85.02952	2.2
87.00884	1.5
88.98814	0.9
89.02462	3.1
93.03455	0.7
95.01390	0.8
97.02983	0.8
98.20687	0.9
99.00904	0.7
101.02438	2.3
101.04934	0.4
102.98601	5.3
103.04021	0.7
107.01402	1.3
108.02188	7.1
109.02930	0.4
111.00888	1.2
111.04527	0.6
113.02462	1.6
116.92867	1.6
116.93594	0.4
117.92866	1.0
117.97315	0.5
118.92660	1.0
119.03543	0.9
120.01273	0.6
120.99663	3.0
121.02961	2.7
123.00892	4.9
123.04530	1.1
125.01617	0.9
125.02468	12.3
126.02797	0.7
131.03490	0.6
134.03745	1.7
136.99001	0.5
137.02492	1.1
138.01990	100.0
139.00397	1.5
139.02324	3.6
140.01152	0.7
141.01897	0.5
149.04550	1.0
149.06064	0.5
151.00391	3.3
151.04010	2.2
152.01187	0.6
152.04396	0.8
159.03073	0.5
161.04616	0.6
162.80986	0.4
163.06134	0.7
167.03606	0.9
168.00690	1.3
168.99986	0.9
169.01443	14.0
170.01772	1.0
173.04590	0.6
176.01099	0.9
177.01907	0.5
178.02739	1.4
180.03027	0.9
181.05083	0.8
193.05070	2.0
196.07378	0.5
205.07233	0.9
211.06082	0.7
211.09666	0.8
214.60948	0.4
221.09724	3.3
237.09276	0.6
249.06255	0.6
253.03529	0.5
265.08713	1.1
283.04968	5.1
293.08871	1.0
294.09058	0.7
301.00009	0.5
309.07813	0.5
312.01965	0.5
313.05597	3.8
314.05984	0.6
327.08752	1.7
327.12396	0.6
334.70483	0.5
345.09787	1.0
443.11954	39.1
444.12259	4.4
446.13013	8.2
447.13544	1.2
447.22302	0.6
463.12192	0.6
506.09427	2.1
506.29605	1.5
507.11768	7.2
507.28433	1.2
510.69080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3536
Annotation	Lycernuic acid D
Peak:m/z	Relative Intensity
54.99142	0.4
57.03440	1.3
59.01381	5.6
60.99318	0.5
61.87869	0.3
61.98835	6.0
69.03462	0.6
71.01388	0.7
71.05022	3.1
73.02962	0.9
75.00882	0.5
83.05018	0.6
85.02957	0.7
85.06605	3.3
87.04539	1.9
97.06602	0.8
101.06100	0.6
109.06609	0.7
111.08172	4.1
116.29561	0.4
121.06614	0.7
123.08202	0.9
127.07678	0.5
137.09732	1.9
139.11313	12.1
140.11681	0.4
155.07181	1.2
177.09140	0.4
193.12589	0.4
199.06094	0.8
209.15575	0.6
221.15613	0.5
223.13463	0.8
225.11331	0.9
237.14984	0.5
239.16608	1.2
247.17075	0.9
259.20743	0.5
261.18686	1.4
277.21716	1.1
289.18066	0.5
303.23349	0.8
305.21136	2.0
306.21512	2.1
307.22037	1.7
323.22379	1.4
375.32883	1.2
387.32498	0.5
401.30655	1.0
403.32449	0.8
415.32373	0.7
417.33850	5.1
418.34344	0.8
427.32639	2.3
441.33939	0.8
443.35382	29.2
444.35672	5.1
445.29572	7.4
446.29977	1.5
459.31522	0.5
461.36780	3.3
462.36923	0.7
485.99292	0.4
487.35074	1.7
488.34283	0.4
505.35458	100.0
506.35840	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	505.3532
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
57.03450	0.3
59.01378	14.3
60.48079	0.3
61.98827	2.8
69.33591	2.1
69.34021	1.3
71.01388	1.1
73.02979	0.3
76.00161	0.3
79.44368	0.3
85.06605	0.6
101.02468	0.4
104.71933	0.3
119.05031	0.5
130.11787	0.3
137.06079	0.4
139.22124	0.3
139.92119	0.4
163.04077	0.7
172.79541	0.3
307.22827	0.7
343.28970	0.4
345.39420	0.3
359.22025	0.4
380.75720	0.4
393.31677	0.7
411.32596	0.4
443.31735	0.6
445.29922	0.9
461.29684	0.3
505.35477	100.0
506.35840	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	505.3537
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
51.55857	0.1
52.96356	0.2
57.18961	0.2
58.00597	0.2
59.01379	1.9
60.09444	0.2
60.98968	0.2
61.98848	0.9
64.45789	0.2
71.01387	0.8
73.02947	2.7
78.95902	0.2
85.02965	0.3
89.02469	0.2
101.02464	0.5
113.02460	0.1
119.50352	0.2
125.02477	0.2
167.05968	0.2
191.89714	0.2
225.71654	0.2
311.65472	0.2
339.26965	0.2
343.28592	0.3
358.81198	0.2
385.30939	0.3
411.31885	0.3
423.32422	0.3
431.31631	0.2
445.33340	0.3
459.34775	0.3
505.35312	100.0
506.35651	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	506.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
59.01380	15.5
61.98837	15.0
68.99833	0.5
69.03469	0.8
69.82713	3.3
71.01386	7.1
72.99314	3.4
73.02946	1.6
74.99117	0.7
75.00900	0.5
83.01405	1.3
83.17107	0.5
85.02954	2.8
87.00890	1.4
88.61811	0.5
89.02456	2.0
93.03448	0.8
95.01400	1.7
97.02985	1.2
99.00909	0.7
101.02458	3.7
102.98610	2.4
107.01382	3.0
108.02191	3.6
110.23871	0.5
111.00913	1.6
113.02477	2.8
116.92912	1.1
119.03432	0.5
120.99655	2.5
121.02939	1.3
123.00911	9.2
123.01697	0.3
125.02461	17.7
126.02805	0.5
134.03726	1.3
135.04510	0.7
136.98944	1.1
137.02473	1.0
138.01988	55.7
139.00380	1.9
139.02322	1.4
140.01149	1.8
141.01978	1.4
149.06096	0.5
150.03339	0.4
151.00389	8.2
153.01898	0.6
153.09192	0.5
161.04568	1.6
168.00659	1.9
169.01440	26.7
170.01750	0.8
178.02650	0.9
179.03485	0.7
179.07216	0.5
180.03009	0.7
181.05067	3.6
193.05107	1.2
196.07413	3.5
209.09750	0.7
211.02434	0.9
211.09753	10.2
221.09686	6.4
235.08191	0.7
241.03636	0.5
253.03438	0.9
265.08670	2.1
271.04694	0.9
281.08319	0.5
283.04944	2.8
283.09979	0.5
285.04440	0.5
291.10724	0.6
309.07639	1.4
313.05624	6.2
314.05960	0.9
327.08759	1.7
345.09814	1.1
443.11935	100.0
444.12234	10.9
446.13049	4.6
463.11877	0.5
471.05148	0.5
489.17569	0.6
506.09964	1.1
506.29727	1.4
507.16068	7.7
507.27109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32601	0.2
57.03448	1.3
59.01374	4.2
60.99300	0.8
61.98827	4.1
67.01909	0.2
69.03455	0.5
69.51018	0.7
69.51433	1.8
71.01367	0.4
71.05022	3.3
71.30953	0.3
73.02950	1.2
78.95177	0.2
83.05042	0.6
85.02951	0.3
85.06600	3.5
87.04521	1.5
95.05027	0.3
96.96068	0.2
97.06602	1.1
99.00890	0.3
99.04524	0.3
101.06080	0.5
107.05090	0.3
109.06603	0.6
109.19879	0.3
123.08180	0.3
125.09753	0.5
129.05556	1.6
135.08154	0.3
137.09755	0.8
139.11253	0.3
149.19812	0.3
152.99606	0.4
177.12984	0.4
179.14407	1.1
189.12929	0.3
195.13916	0.8
197.15485	0.4
223.13426	0.7
239.12996	0.3
241.14507	1.2
261.18677	0.7
277.21820	2.8
278.22186	0.3
287.20114	0.7
289.21725	0.3
291.23352	0.5
303.23285	0.6
307.22784	5.1
307.26199	0.3
308.22955	0.4
317.28363	2.3
318.28656	0.3
329.24606	0.5
330.24683	0.4
335.25757	0.4
341.24847	1.5
345.27701	0.5
355.30087	0.6
357.27972	3.7
358.28207	0.6
373.31104	5.0
374.31500	0.6
387.32712	2.9
388.33121	0.3
389.26926	0.9
401.30655	1.1
417.29730	0.6
427.32263	0.5
443.35556	2.1
444.35669	0.6
445.29303	0.7
461.36874	1.6
487.34277	25.6
488.34625	5.0
505.35376	100.0
506.35764	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	505.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.1
57.03418	0.2
59.01388	0.7
61.98796	0.3
65.18013	0.1
68.26061	0.1
69.03430	0.3
71.04989	0.6
72.78072	0.1
73.02929	0.4
81.94605	0.1
83.05004	0.4
85.06599	7.3
86.06912	0.1
97.06602	1.2
99.04517	0.8
100.43748	0.1
109.06546	0.2
111.08176	0.8
114.66872	0.1
119.72966	0.1
125.09708	0.5
135.08165	0.4
137.09740	11.4
138.10014	0.3
139.11292	0.5
146.77235	0.1
151.11273	0.3
153.12892	0.2
163.11295	0.1
165.12796	0.2
167.10728	0.3
169.12361	0.8
179.10771	0.1
197.11832	2.6
197.13503	0.2
221.15443	0.5
229.56367	0.1
239.92509	0.1
247.16988	0.3
249.18634	0.2
287.20169	0.5
289.18069	1.2
289.21738	1.3
303.19650	0.1
305.21228	10.6
306.21597	1.0
307.22784	100.0
308.23111	8.1
308.26810	0.3
308.39316	0.1
323.22437	0.3
441.34579	0.1
443.31741	0.5
445.29376	0.3
487.34647	0.2
505.35410	41.4
506.35800	5.4
506.43314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
57.98854	0.2
59.01375	3.9
61.98831	2.1
67.00952	0.2
69.03450	0.2
69.44335	0.8
69.44746	2.0
71.04658	0.5
71.05023	4.9
73.02954	0.4
78.95897	0.3
81.03458	1.1
83.05064	0.3
84.02169	0.3
85.06603	4.6
87.04575	0.3
95.05006	0.3
97.03031	0.2
97.06594	1.0
98.03757	2.5
99.04580	1.1
99.08160	0.6
109.06573	0.8
111.08176	0.4
118.95063	0.3
121.02966	1.0
123.08198	0.9
125.09758	0.6
127.07674	0.3
137.09749	3.3
139.11354	0.6
141.09238	1.3
143.10796	3.2
151.11348	0.4
153.12892	1.0
163.11325	0.7
165.12906	0.2
169.12366	0.3
191.14581	0.3
197.11874	0.9
223.13379	0.4
225.14978	0.6
247.17050	0.4
261.18704	0.2
263.20151	12.0
264.20480	0.8
275.20291	0.5
277.21765	0.4
278.21881	0.3
279.22699	0.4
287.20248	0.3
289.21704	1.0
305.21298	2.5
307.22791	24.4
308.23068	1.7
333.24396	0.3
335.25903	0.5
335.29764	0.3
345.27905	0.3
345.31503	0.3
347.26056	0.4
373.27158	0.4
401.30765	0.3
415.35959	0.9
417.37277	0.7
427.32266	2.2
431.35425	0.4
443.35199	1.0
445.33466	10.6
446.33780	1.5
461.36435	12.2
462.36621	1.6
463.30627	0.4
475.33832	0.3
487.34320	1.0
505.35379	100.0
506.35736	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	505.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65050	0.4
57.03460	1.1
59.01381	6.7
59.98565	0.4
60.71597	0.3
60.99317	1.8
61.98832	5.5
65.88093	0.4
66.04984	0.4
69.03472	0.4
71.01402	0.7
71.04658	0.3
71.05025	9.5
71.05386	0.7
72.99326	1.5
73.02956	0.7
75.00889	0.8
81.03511	0.4
83.05047	0.7
85.02972	1.1
85.06600	10.3
96.02765	0.4
96.96018	0.5
97.06608	1.1
99.00897	0.5
99.04553	0.8
109.06618	0.6
111.08177	1.3
121.06608	1.1
123.08184	1.0
125.09737	0.5
137.09773	0.5
139.11388	0.5
149.06088	0.6
151.11421	0.4
153.09253	0.9
155.07167	0.8
177.12761	0.5
179.71481	0.4
191.14366	0.6
193.16023	0.8
199.06078	0.5
221.15541	1.0
223.13451	0.9
229.84685	0.4
239.16489	0.5
243.17667	0.6
245.15564	0.6
259.16949	0.5
259.17682	0.6
259.20663	8.2
261.18607	4.0
265.18146	0.7
275.20187	0.8
277.18951	0.7
277.21591	3.8
278.22195	0.6
279.23318	0.7
287.20480	0.4
289.18109	5.0
300.53473	0.4
305.17789	0.5
305.21201	8.9
305.24637	0.7
306.21695	0.7
307.22760	0.6
317.24875	0.4
323.22345	5.8
324.22586	0.8
329.24786	0.4
345.28085	0.8
363.28976	3.9
364.29703	0.5
389.27219	1.3
443.35934	1.2
445.29150	2.2
446.30511	0.5
461.37146	2.1
487.34567	6.9
488.34756	0.8
505.35498	100.0
506.35889	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	505.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.2
57.03451	3.2
58.00601	1.3
59.01383	20.7
60.01703	0.3
61.98817	0.4
67.01904	0.3
69.03455	0.6
69.48723	1.9
71.01389	42.8
72.01727	0.7
72.99314	1.4
73.02952	12.6
74.03292	0.3
75.00869	0.7
81.03445	0.2
83.01398	5.7
84.02204	0.5
85.02960	19.9
86.00111	0.7
86.03281	0.5
87.00880	1.6
89.02456	7.7
93.07122	3.1
95.01396	4.5
97.02971	1.1
97.39719	0.2
99.00894	5.0
101.02458	26.4
102.02778	0.4
105.06018	0.2
111.00906	2.9
113.02466	16.6
114.02841	0.4
119.03522	2.6
125.02455	0.8
129.01976	1.1
130.10699	0.2
131.03520	0.3
139.00481	0.2
139.28519	0.2
141.01962	0.4
143.03482	1.6
159.03011	3.2
161.04579	14.0
162.04901	0.4
165.12852	0.2
177.75728	0.2
179.05659	0.5
183.13908	0.3
189.42943	0.2
190.82596	0.2
197.15417	0.6
205.03430	0.3
211.13324	0.4
213.18604	1.7
339.99756	0.3
343.28513	3.2
344.28772	0.4
375.23911	4.8
376.24176	0.8
430.83060	0.2
445.31400	0.4
469.31665	0.4
475.32480	0.9
487.32806	0.6
505.33801	100.0
506.34122	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	505.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01637	0.3
55.01878	3.5
57.01325	0.2
57.03444	3.5
58.00590	1.6
58.28111	0.2
59.01381	27.0
60.01710	0.4
61.98826	2.6
66.08670	0.2
67.01908	0.3
68.86692	0.2
69.03455	0.6
70.96457	0.5
71.01385	52.4
72.01723	1.0
72.99309	2.7
73.02950	15.4
74.03278	0.3
75.00867	0.9
78.95891	0.3
79.05528	0.4
81.03455	0.3
83.01396	8.4
84.02170	0.3
85.02959	25.9
86.00100	0.9
86.03284	0.6
87.00888	3.0
87.04537	0.5
88.98824	0.3
89.02456	10.9
95.01402	4.7
95.05051	0.6
96.01758	0.3
97.02955	1.2
97.06600	7.1
98.06920	0.3
99.00890	6.5
101.02454	36.1
102.02791	0.9
111.00890	3.2
113.02466	21.0
114.02784	0.5
115.04084	0.2
119.03519	4.3
120.66943	0.2
121.10257	0.7
123.08186	0.2
125.02449	1.6
129.01984	1.5
131.03506	0.8
136.07692	0.2
137.02425	0.6
139.00374	0.4
141.01945	0.8
141.12840	0.2
143.03520	2.2
149.04585	0.3
149.13341	0.3
157.12346	0.7
159.02997	4.4
161.04576	17.9
162.04929	0.6
165.73721	0.2
179.05650	1.3
185.15498	0.7
205.03572	0.8
209.12033	0.3
211.13422	0.2
211.16919	0.3
213.18634	0.8
227.20189	0.9
239.20236	0.3
291.23593	0.2
313.27670	0.3
325.27579	0.3
343.28549	7.8
344.29080	1.0
375.23990	0.8
389.25449	3.6
389.30255	0.4
390.25745	0.6
443.35272	0.3
445.31796	0.3
445.51627	0.3
447.96152	0.2
469.31790	0.8
475.32721	1.1
487.32867	3.3
488.33197	0.4
505.33932	100.0
506.34311	17.8
506.42169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.2
59.01381	11.1
60.99305	8.2
61.50246	0.6
61.98830	33.5
68.99833	0.9
69.03432	1.2
69.58701	6.3
71.01387	17.4
72.99311	5.3
73.02945	1.0
75.00876	16.6
75.50000	0.7
83.01378	1.9
85.02959	17.7
87.00435	0.7
87.00888	7.2
89.02436	3.7
91.18394	0.6
95.01408	3.7
96.56144	0.6
96.95999	1.0
99.00893	8.4
99.09848	0.7
101.02422	0.7
103.00338	3.0
113.01713	1.6
113.02460	28.0
115.00359	1.2
117.01915	2.4
129.01900	1.5
131.03455	0.9
148.70598	0.7
157.01428	1.5
175.02469	4.3
195.13826	0.9
205.07101	2.1
223.08080	0.7
229.01085	0.8
239.12782	2.3
249.06189	6.8
255.23296	73.5
256.23654	6.4
267.07224	5.6
311.23737	4.1
364.80499	0.7
383.29431	5.4
427.28079	1.9
430.37381	0.8
443.35010	3.1
445.12326	0.8
487.28503	2.4
487.34149	2.9
505.29688	100.0
505.35303	11.9
506.30063	16.1
506.35693	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	505.3014
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
57.03448	1.9
59.01377	12.7
61.98830	9.2
66.80360	0.5
68.99814	1.4
69.03465	1.0
71.01385	12.3
71.65855	0.9
71.66269	0.7
72.99314	4.5
73.02962	1.1
75.00878	15.3
83.01393	0.6
85.02956	14.7
85.03445	0.8
85.34702	0.5
86.03332	0.6
87.00878	6.3
87.01360	0.7
89.02467	2.0
95.01405	3.5
96.96040	1.8
99.00896	7.5
103.00377	1.3
113.02460	19.2
114.02788	0.8
115.00404	1.7
117.01976	1.6
129.01938	1.3
175.02550	2.5
189.04111	0.5
189.94963	0.5
205.07329	0.7
231.05107	2.3
249.06120	13.2
250.06380	0.8
255.23277	80.5
256.23672	7.9
267.07248	2.6
463.75659	0.7
487.28897	2.6
505.30072	100.0
506.30435	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	505.257
Annotation	Amoritin
Peak:m/z	Relative Intensity
51.91494	0.3
59.01382	3.9
59.61377	0.4
59.93499	0.4
61.98830	3.1
69.61881	1.1
69.62302	1.6
71.01383	0.6
71.05021	0.5
72.99305	0.9
73.02969	0.5
78.95910	12.1
83.05055	0.5
85.06587	0.5
87.04509	0.5
90.33676	0.3
96.96046	0.3
96.96967	1.2
123.08177	0.4
137.09692	0.5
141.09282	0.5
152.99606	17.4
167.80933	0.3
171.00661	1.8
227.03259	3.4
245.04321	1.8
248.08087	0.6
249.63689	0.3
259.20755	0.7
265.27423	0.4
275.20120	0.6
277.21713	100.0
278.22052	8.6
280.23627	0.5
305.21414	0.4
307.22794	0.4
443.35413	0.5
445.29556	0.5
461.36795	0.5
465.46323	0.4
487.34085	0.6
505.25687	39.7
505.34842	9.6
506.26001	5.2
506.35318	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	505.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
61.98822	1.4
62.96395	0.3
63.00166	0.3
71.01389	0.7
71.46575	0.6
78.95909	25.6
83.05035	0.3
87.04542	0.3
96.96948	2.0
97.06669	0.3
99.58884	0.3
112.66869	0.2
122.21262	0.3
127.07582	0.3
150.98000	0.6
152.99605	42.1
153.99965	0.6
171.00633	2.3
179.10840	0.3
183.17067	0.3
198.03572	0.3
227.03265	6.4
233.22650	0.6
241.39410	0.3
245.04248	1.3
259.20618	0.7
275.20081	0.7
277.21710	100.0
278.22055	9.7
377.27734	0.3
401.30600	0.7
413.21158	1.3
423.32629	0.7
431.22141	0.4
443.35352	1.5
461.36841	0.4
469.33133	2.3
470.33572	0.5
505.25668	80.9
505.34308	5.5
506.25970	9.7
506.35172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07117	0.7
55.01870	1.8
55.06173	0.8
56.69171	0.7
57.03456	2.7
59.01379	100.0
60.00975	0.7
60.01725	1.0
61.98833	5.5
69.34676	4.1
69.35107	4.2
71.01384	22.2
72.99322	1.8
73.02946	9.7
75.00881	0.8
75.13399	0.7
77.80287	0.7
81.03455	0.7
81.80434	0.7
83.01381	3.8
85.02953	10.3
85.03360	0.8
87.00880	3.5
88.98816	2.1
89.02448	6.3
93.03463	14.6
95.01393	2.3
97.02972	1.3
97.06606	0.8
98.20776	1.0
99.00897	5.3
99.04534	2.0
101.02453	17.3
104.02327	0.7
107.05048	0.9
108.02210	1.5
109.02978	1.3
111.00891	1.7
113.02454	10.5
115.54229	0.7
117.03505	1.7
119.03518	1.3
119.05033	2.0
120.99672	1.9
121.02977	1.4
123.00938	1.1
123.04545	1.2
125.02441	3.6
131.03534	2.2
135.04576	1.2
136.00816	0.7
136.01666	4.2
137.02466	34.8
138.02815	1.3
139.11269	0.9
143.03529	1.2
145.02966	3.2
145.05080	1.9
146.03735	0.9
149.02486	2.0
151.00369	0.8
151.03996	1.9
151.07597	0.8
154.70309	0.8
159.03017	1.0
161.04565	9.1
161.05913	1.5
163.04045	2.9
164.04750	1.0
165.12881	1.4
167.03558	1.2
167.10712	1.1
168.00676	1.2
175.03961	1.1
175.07677	1.2
179.03525	20.1
180.04041	1.4
181.12405	3.7
183.10304	1.5
189.12863	1.0
194.82207	0.7
195.06732	1.0
197.11842	0.9
207.13956	2.5
209.04591	6.1
209.11841	6.0
217.07176	2.5
225.11264	1.8
225.14964	7.5
227.12895	30.9
228.13199	2.1
235.08304	4.3
239.05592	24.5
240.05978	1.0
243.12396	0.8
251.12871	0.7
255.16014	2.8
269.13971	2.2
271.02521	2.1
277.09317	3.3
287.14877	1.4
299.07788	8.0
300.02643	3.7
301.03427	0.7
329.13812	4.8
341.08801	0.8
343.11877	3.2
343.21246	0.7
373.22293	11.0
374.22769	1.0
487.16409	0.8
487.22067	11.1
488.21954	1.3
505.22659	98.2
506.23029	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	505.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99186	0.2
57.03470	0.5
58.00608	0.5
59.01378	10.2
61.98830	1.7
67.55071	0.2
71.01387	3.4
71.71901	0.3
71.72293	0.3
72.99299	0.3
73.02950	1.9
81.10967	0.2
81.40172	0.3
85.02945	1.7
87.00916	0.2
88.98842	0.7
89.02451	2.8
91.93770	0.2
92.82391	0.3
93.03463	1.3
95.01398	0.4
99.00918	0.3
101.02445	2.7
101.75607	0.2
103.04037	1.3
107.03429	0.2
108.02181	0.4
109.02991	0.8
113.02517	0.8
117.05633	0.6
119.03526	1.2
120.99709	0.7
121.02983	0.7
125.02457	0.4
131.03531	0.6
135.04584	0.4
137.02480	3.5
139.11348	1.0
141.66626	0.2
145.02995	1.8
148.18408	0.2
149.02448	0.3
151.00403	0.4
153.24144	0.2
155.10742	0.3
161.04594	0.3
163.00415	0.5
163.06190	0.9
165.05701	0.3
166.06364	0.3
169.01451	0.4
170.88817	0.2
177.01936	1.5
178.99886	5.5
179.03581	0.9
179.10751	0.3
181.08925	0.3
181.12421	0.7
183.10281	2.1
187.04028	0.4
192.00526	0.4
196.05368	0.4
197.11932	0.3
205.12315	0.5
206.99394	0.6
210.06918	0.3
211.02283	0.6
211.04039	0.8
221.06317	0.3
222.06825	0.7
224.04825	2.1
225.09340	0.4
225.11391	1.4
227.03526	0.9
227.10822	0.7
229.04988	0.5
235.07860	0.4
236.08411	0.3
237.09471	0.3
238.06401	1.8
239.03537	0.5
239.05580	0.5
239.10764	1.8
241.08745	1.2
243.12379	4.0
251.07156	0.7
252.04308	0.5
252.07347	0.3
253.08727	0.7
254.09509	0.7
255.03029	1.6
255.10262	5.7
255.15959	0.9
256.03592	0.3
256.10657	0.4
257.04608	0.5
265.05222	0.3
265.08719	0.6
266.03198	0.3
266.05850	1.6
266.09637	0.3
267.10172	1.3
269.11795	2.0
270.05292	0.5
270.12631	1.8
271.04697	0.7
273.04080	0.4
281.08221	0.4
282.09009	0.5
283.02713	2.4
283.09756	23.1
284.10056	2.1
285.13461	1.6
293.08319	0.3
294.08884	1.5
295.09729	3.4
296.10550	2.4
297.11182	1.2
298.04575	0.3
298.12085	3.8
301.03503	1.5
309.11450	1.1
310.08521	0.7
310.12112	2.0
311.02100	1.5
311.09256	57.4
312.09598	6.0
312.13062	0.2
313.16510	0.8
325.10870	6.1
326.11597	35.4
327.11871	3.7
329.03030	20.7
330.03366	2.3
341.13947	100.0
342.14288	11.8
343.15210	0.7
345.15558	1.3
405.17538	0.5
423.68533	1.9
424.18570	0.7
486.29153	0.4
487.21335	0.4
505.06369	0.9
505.22116	7.5
506.22476	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	505.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.4
58.00612	0.5
59.01378	14.1
60.01734	0.3
61.98832	2.2
65.00340	0.4
71.01385	4.4
71.67794	0.3
72.99328	0.6
73.02941	2.1
83.01411	0.4
85.02948	1.9
87.00901	0.4
88.98854	0.7
89.02452	3.4
93.03464	1.7
93.13899	0.2
95.01434	0.3
99.00899	0.5
101.02451	3.5
103.04036	1.9
107.01423	0.3
109.02954	1.4
113.02474	1.1
117.05578	0.5
119.01499	0.2
119.03532	1.2
120.99728	0.4
121.02998	1.1
123.00948	0.2
125.02475	0.5
127.04083	0.3
131.03477	0.6
133.03035	0.2
135.00922	0.6
136.01666	0.3
137.02443	3.2
139.11282	2.0
143.03551	0.3
143.04800	0.2
145.02968	2.5
149.02548	0.3
149.04576	0.5
151.00432	0.4
151.03949	0.3
155.10808	0.4
161.04588	0.3
163.00420	0.7
163.04095	0.3
163.06171	1.4
165.05603	0.5
168.00676	0.3
169.01379	0.3
171.04482	0.3
171.08260	0.3
176.98373	0.3
177.01958	1.6
178.99872	6.4
179.03470	0.7
180.00200	0.4
181.12413	1.3
183.04501	0.4
183.10263	3.0
190.02863	0.3
190.99884	0.6
191.05609	0.4
192.00645	0.8
194.07381	0.3
196.05267	0.4
197.11992	0.2
205.12187	0.3
206.99319	1.0
207.08188	0.4
209.09804	0.3
210.06879	0.3
211.02325	0.4
211.04065	0.8
211.07632	0.5
215.03542	0.3
222.06895	0.7
223.07597	0.4
224.04742	2.4
225.09288	0.4
225.11249	2.0
225.14882	0.3
227.03542	1.0
227.10802	0.8
229.05101	0.3
235.07829	0.3
237.05502	0.4
237.09180	0.4
238.02655	0.3
238.06354	2.4
239.03531	0.5
239.05476	0.5
239.10760	1.5
241.08694	1.7
243.03001	0.4
243.12358	5.0
244.12813	0.4
251.07175	0.7
252.04195	0.7
253.08733	0.9
254.09480	0.4
255.02982	2.5
255.10219	5.6
255.16031	1.1
256.03519	0.6
256.10565	0.5
257.04599	0.8
263.07150	0.4
265.08688	0.7
266.05811	2.5
267.06525	0.3
267.10291	1.2
269.09094	0.3
269.11838	2.0
270.05460	0.4
270.12488	2.1
271.02209	0.4
273.04077	0.4
281.08450	0.3
281.11765	0.3
282.08994	0.9
283.02628	3.6
283.09738	26.7
284.02795	0.5
284.10107	3.0
285.13541	1.9
293.08371	0.3
294.08957	1.8
295.09750	3.9
296.10455	2.5
297.11279	1.8
298.12064	3.6
299.01630	0.3
301.03519	2.2
302.03870	0.3
309.11349	1.4
310.08438	0.7
310.12033	2.0
311.02072	1.6
311.09244	63.7
312.09543	6.9
313.16473	1.4
325.10785	7.3
326.11575	39.3
327.11877	4.6
328.12686	0.4
329.03021	22.6
330.03345	3.0
341.13928	100.0
342.14282	12.7
343.15649	1.2
345.15427	1.2
373.21939	0.3
405.17743	0.8
423.68555	1.1
424.18512	0.4
445.20502	0.9
505.06116	0.8
505.22363	7.6
505.30823	0.4
506.23288	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	505.2076
Annotation	Aviculin
Peak:m/z	Relative Intensity
53.85634	0.3
55.01870	0.6
57.03435	0.9
58.00584	1.2
59.01378	30.2
60.01720	0.4
61.98825	2.5
69.03448	1.1
71.01386	11.6
71.04983	0.4
71.69755	0.5
72.99313	1.8
73.02953	5.7
81.03461	0.5
83.01397	1.7
83.05022	0.5
85.02955	7.9
87.00897	2.0
87.04493	0.4
88.98814	0.7
89.02447	5.1
91.01900	0.7
95.01402	0.3
97.02972	0.4
99.00877	0.9
99.04538	0.6
101.02450	8.2
103.04028	1.8
107.76848	0.3
108.02187	1.3
109.02977	6.9
111.00880	0.6
113.02464	2.9
113.06035	0.3
116.92863	2.3
119.03497	1.2
119.05006	0.6
120.99675	0.7
123.04531	2.2
125.02448	1.2
127.03981	0.7
137.02429	0.6
144.05807	0.6
145.02965	0.7
147.00899	0.6
148.01678	0.6
151.03983	0.4
152.01228	0.5
159.04527	2.3
161.02415	0.3
161.04550	1.7
161.05957	0.5
163.03986	1.2
163.06160	0.7
165.01955	0.5
167.07155	0.3
169.01457	0.7
171.04494	0.5
172.05316	3.6
173.06065	3.7
174.06581	0.4
179.03497	1.4
181.12323	0.6
187.07663	3.6
189.05568	2.2
190.06337	0.7
191.05603	0.4
191.07159	0.9
194.05873	0.7
197.04501	0.6
197.11845	1.0
201.05487	0.4
202.06393	0.6
203.07036	0.7
209.08167	1.4
217.08794	0.8
218.05807	0.3
225.11388	1.8
240.04330	0.7
241.05077	4.4
253.05058	1.6
255.06522	2.2
255.10468	0.5
256.07440	0.3
263.07056	0.6
265.08640	0.3
267.06552	2.1
267.10226	0.3
268.07224	1.8
269.08121	1.0
279.06564	1.0
279.10239	0.4
280.07352	1.0
281.08115	3.9
282.08545	0.5
283.09811	2.1
293.08148	0.4
295.09781	5.6
296.07489	0.3
296.10507	2.5
297.11200	0.8
298.08414	1.0
299.09256	2.9
307.07938	0.5
307.84854	0.3
309.11490	0.7
311.09277	7.3
311.12692	0.5
312.09567	0.7
313.10797	7.8
314.11130	0.9
325.10800	1.2
326.07779	0.5
326.11588	6.6
327.12079	1.4
329.10086	1.5
341.10718	0.5
341.13959	8.3
342.14328	0.9
343.11734	1.4
344.12665	12.2
345.12997	2.0
359.14993	19.6
360.15350	2.2
373.12836	0.4
373.17825	0.5
373.22266	6.1
374.22787	0.6
446.14294	0.3
475.15915	1.0
490.18250	1.1
505.20657	100.0
505.26624	7.5
506.20999	15.4
506.26959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05048	0.9
57.03443	1.2
58.00592	2.5
59.01377	79.3
61.98832	25.9
69.03450	3.4
69.34303	10.0
69.34724	2.4
71.01384	57.5
72.99306	2.5
73.02956	5.7
75.00886	1.8
79.08090	1.0
81.03472	2.7
83.01397	3.1
85.02972	5.9
87.00890	2.7
89.02451	67.0
91.01902	7.9
93.03465	9.4
95.01391	1.7
96.96016	2.5
97.02964	4.8
98.20646	2.1
99.00880	1.7
101.02454	17.7
104.02649	0.9
105.39175	1.0
107.01395	3.2
107.05017	2.1
109.02977	3.1
111.00883	0.9
113.02467	10.1
115.04042	1.5
116.92883	7.6
117.05567	1.5
117.92862	1.3
119.01401	3.8
119.03522	4.1
120.99665	3.8
121.02979	13.2
123.00905	3.1
125.02461	48.2
127.00377	6.7
131.03513	15.5
133.02963	2.3
135.04514	3.2
137.02473	10.3
137.90359	0.9
139.00453	1.6
143.03519	4.3
148.01700	2.1
149.04579	20.4
151.00391	3.3
151.04024	100.0
152.04395	4.8
153.02043	1.2
161.04630	2.9
165.05737	1.1
167.10754	2.9
168.00598	1.3
169.01453	26.3
173.04605	1.6
176.01158	13.9
177.01909	6.6
179.03534	3.7
181.01358	1.5
181.87959	1.0
191.03554	4.9
191.05551	2.9
194.05783	1.2
209.08226	4.6
211.06029	1.8
216.11916	0.9
233.06685	2.5
255.10580	5.4
279.10776	3.5
281.06555	2.3
283.04926	1.3
293.08786	31.0
293.11673	1.1
294.09119	2.5
297.11862	3.2
313.05612	18.3
314.06052	1.9
339.12979	2.9
413.10696	1.7
443.11783	1.5
445.16678	1.2
455.17786	1.2
505.09674	26.9
505.16785	4.6
506.09946	4.3
506.17551	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	505.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05048	0.9
57.03443	1.2
58.00592	2.5
59.01377	79.3
61.98832	25.9
69.03450	3.4
69.34303	10.0
69.34724	2.4
71.01384	57.5
72.99306	2.5
73.02956	5.7
75.00886	1.8
79.08090	1.0
81.03472	2.7
83.01397	3.1
85.02972	5.9
87.00890	2.7
89.02451	67.0
91.01902	7.9
93.03465	9.4
95.01391	1.7
96.96016	2.5
97.02964	4.8
98.20646	2.1
99.00880	1.7
101.02454	17.7
104.02649	0.9
105.39175	1.0
107.01395	3.2
107.05017	2.1
109.02977	3.1
111.00883	0.9
113.02467	10.1
115.04042	1.5
116.92883	7.6
117.05567	1.5
117.92862	1.3
119.01401	3.8
119.03522	4.1
120.99665	3.8
121.02979	13.2
123.00905	3.1
125.02461	48.2
127.00377	6.7
131.03513	15.5
133.02963	2.3
135.04514	3.2
137.02473	10.3
137.90359	0.9
139.00453	1.6
143.03519	4.3
148.01700	2.1
149.04579	20.4
151.00391	3.3
151.04024	100.0
152.04395	4.8
153.02043	1.2
161.04630	2.9
165.05737	1.1
167.10754	2.9
168.00598	1.3
169.01453	26.3
173.04605	1.6
176.01158	13.9
177.01909	6.6
179.03534	3.7
181.01358	1.5
181.87959	1.0
191.03554	4.9
191.05551	2.9
194.05783	1.2
209.08226	4.6
211.06029	1.8
216.11916	0.9
233.06685	2.5
255.10580	5.4
279.10776	3.5
281.06555	2.3
283.04926	1.3
293.08786	31.0
293.11673	1.1
294.09119	2.5
297.11862	3.2
313.05612	18.3
314.06052	1.9
339.12979	2.9
413.10696	1.7
443.11783	1.5
445.16678	1.2
455.17786	1.2
505.09674	26.9
505.16785	4.6
506.09946	4.3
506.17551	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	505.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55032	0.2
54.71635	0.3
55.04380	0.3
57.03435	0.7
59.01380	9.4
59.53568	0.3
61.98826	3.3
65.00312	0.4
69.57455	0.5
69.57865	1.8
71.01387	4.5
71.05021	0.3
72.99297	0.5
73.02953	3.1
74.02464	0.2
79.45318	0.3
83.01379	1.1
83.05027	0.4
85.02961	1.9
87.00879	0.7
87.04527	0.5
88.98816	1.2
89.02457	3.3
93.03448	0.8
95.01395	0.4
95.05013	0.3
95.05598	0.2
97.02974	0.3
98.19869	0.6
99.00879	0.8
99.04533	0.3
101.02450	3.1
107.01395	0.8
108.02184	1.1
109.02968	0.3
109.06606	0.6
111.00856	0.8
111.72695	0.3
113.02459	1.8
117.63578	0.2
119.03542	0.6
119.04964	0.3
120.99668	0.3
121.02948	0.8
123.00883	0.4
123.04549	0.7
123.08188	0.3
124.01631	0.3
125.02471	1.4
131.03505	0.9
135.00862	0.3
135.06575	0.3
137.02422	1.1
143.03510	0.5
145.02962	0.4
148.01680	1.0
149.02467	0.3
149.04634	0.6
151.00383	3.4
153.01994	0.4
155.10794	0.6
161.04527	1.0
163.00417	0.6
163.11255	0.4
164.01228	0.6
168.00612	0.5
169.01443	1.6
170.31708	0.3
171.04440	0.3
178.02660	0.3
178.99879	2.3
179.03526	0.5
179.14432	0.3
181.12404	1.3
183.10161	0.3
187.03947	0.4
187.06107	0.6
189.12984	0.3
191.05586	0.5
193.05052	0.4
197.11852	0.3
199.04053	0.8
199.09819	0.4
201.02025	0.5
203.03400	0.4
207.13945	1.3
209.11888	0.6
211.02417	1.4
211.04184	0.4
211.13312	0.8
215.03505	0.5
225.11255	0.6
226.02657	0.9
227.03528	3.0
239.05586	0.6
243.02969	9.4
244.03416	0.8
251.12932	0.5
253.09213	0.4
254.02231	1.9
255.02966	22.8
255.15990	3.3
256.03369	1.8
267.10730	0.3
271.02441	49.3
272.02832	4.9
299.01971	6.0
300.02753	100.0
301.03290	14.9
302.03824	0.4
343.11731	2.0
343.21237	0.5
373.22128	0.9
392.68594	0.5
399.67838	0.4
423.18405	2.7
423.68622	12.3
424.18796	3.8
424.68954	0.6
445.07779	3.6
445.20520	0.6
446.08133	0.5
463.08664	1.7
464.09369	0.3
505.09860	38.1
505.22974	7.7
506.10251	4.7
506.23306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
70.39227	2.5
96.48995	0.6
96.96022	1.3
98.19847	0.6
159.58411	0.5
179.81049	0.6
294.96625	0.6
307.24020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0985
Annotation	Kunzeachromone C
Peak:m/z	Relative Intensity
57.03443	1.4
59.01381	13.8
61.98833	34.5
67.01891	1.4
69.03455	2.2
71.01382	15.3
71.74721	1.1
72.99315	2.4
73.02934	3.1
74.99102	1.7
75.00890	1.8
81.03459	1.6
82.04817	0.9
83.01404	1.3
85.02958	4.7
87.00893	2.4
88.98826	5.2
89.02470	6.4
93.03468	3.3
95.01367	2.0
96.96010	1.1
97.02980	1.4
99.00900	1.4
99.04519	1.3
99.92570	1.3
101.02460	6.9
102.98591	2.5
104.02699	3.3
107.01415	10.7
107.05031	1.1
109.02956	2.7
111.00870	3.1
111.04578	1.6
113.02455	4.8
115.00388	1.5
116.92879	11.2
117.05584	2.3
117.92890	4.4
118.92677	3.5
119.03507	2.2
119.04955	1.3
120.99654	5.1
121.02967	3.8
123.00900	11.7
123.04482	1.5
124.01698	2.1
125.02464	71.5
126.02788	1.9
127.00354	2.6
131.03511	1.5
135.04547	9.3
136.98933	1.6
137.02431	3.4
139.00388	5.1
139.04042	1.3
140.01155	3.3
141.01958	1.7
145.02927	1.9
148.01692	7.8
149.04530	1.3
151.00366	7.9
151.04005	3.8
152.03549	6.8
153.01918	3.0
156.45943	1.0
161.02490	2.6
161.04581	2.1
163.04070	1.2
165.05612	1.5
168.00679	4.0
169.01442	100.0
170.01753	3.5
173.04558	14.7
176.01163	66.3
177.01926	11.6
179.03502	10.4
191.03510	38.3
191.05582	8.5
192.03790	1.8
211.02495	2.1
217.33003	1.0
225.07709	2.3
241.03627	1.6
243.54202	0.9
255.10643	1.2
271.04581	1.4
283.04987	3.2
293.08731	1.2
297.12146	1.7
313.05646	90.1
314.06003	4.3
323.22531	1.2
343.06668	6.2
353.08835	10.3
354.08780	1.3
363.60785	1.3
371.12296	1.2
443.15921	1.5
445.16354	1.2
465.08051	1.2
505.09842	74.0
505.17877	5.1
505.26248	3.8
506.10043	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	503.3376
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
50.08774	0.3
50.60759	0.3
57.03422	0.5
59.01381	25.3
61.98834	3.5
69.03432	0.4
70.07655	1.9
71.05038	0.5
73.02911	0.5
78.95903	3.0
83.05025	0.9
85.06565	0.9
87.04492	0.4
95.05013	0.9
96.96020	0.5
97.02927	0.5
97.06612	1.6
98.03746	3.1
98.20558	0.3
108.02177	0.4
109.02900	0.3
109.06621	0.4
117.09290	0.4
121.06507	0.3
123.04543	10.6
123.08114	1.2
125.06068	0.5
135.04532	0.6
137.09720	0.5
149.06082	0.9
150.06848	0.8
152.99533	0.7
167.07095	1.1
168.04333	0.8
237.14931	0.5
242.07965	1.3
245.04247	0.6
261.22278	0.4
270.34171	0.4
275.20050	0.4
279.23288	53.6
305.21292	0.5
349.23865	0.4
377.20517	0.4
385.30984	0.8
407.29617	0.5
411.32709	0.9
413.34399	0.8
415.35703	1.1
423.32617	3.4
424.33136	0.5
425.30551	1.1
439.32050	0.5
441.33752	8.2
442.34106	1.0
443.27206	1.8
457.29434	0.8
459.34973	6.7
460.35129	1.0
485.32965	1.9
503.33817	100.0
504.33698	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	504.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50093	1.3
61.98832	100.0
69.48658	9.0
73.02953	42.0
96.96020	1.5
297.91754	1.2
323.29492	3.4
341.30469	2.1
504.33578	1.5
505.35190	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	503.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85595	0.2
59.01376	0.9
61.98823	0.9
63.49508	0.2
64.13055	0.2
69.03454	2.5
70.40746	0.7
70.41118	0.4
71.05019	0.6
73.02928	0.3
77.02530	0.2
83.05045	0.4
85.06596	43.2
86.06945	1.1
97.06613	0.6
99.04514	0.5
104.36650	0.2
109.06612	2.3
111.08176	0.6
121.06625	1.3
123.08193	0.3
127.74954	0.2
135.08232	0.2
137.09758	0.3
146.75383	0.3
163.11301	0.3
167.10785	0.5
189.12766	0.2
197.11884	2.1
205.12335	0.7
207.13950	1.6
217.12372	0.5
219.14020	0.3
287.20197	1.1
295.31079	0.2
303.19720	2.3
305.21210	100.0
306.21545	11.4
321.20709	0.8
441.33981	0.7
457.33484	0.6
459.34454	0.8
485.32538	0.6
503.33789	42.6
504.34174	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	503.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
57.18346	0.3
66.47588	0.3
68.68020	0.3
70.45679	0.3
70.85003	1.0
71.01385	0.6
73.02941	0.9
80.24583	0.3
88.43002	0.3
97.59190	0.3
106.63384	0.3
109.98869	0.3
115.89865	0.3
135.49037	0.3
165.80177	0.3
234.46309	0.3
346.60266	0.3
347.23782	0.5
359.24323	0.3
363.26981	1.7
375.27167	0.5
377.28650	0.9
379.30054	2.6
380.30182	0.5
387.26794	0.5
391.30356	2.1
393.27512	0.6
393.31735	1.2
401.28513	1.3
403.29990	0.4
407.29514	0.8
409.31183	15.1
410.31610	2.5
417.27835	0.4
419.29440	0.8
421.31232	5.5
422.31543	0.9
423.28818	0.4
425.30566	0.9
439.32101	0.9
441.33777	4.5
442.34113	0.4
453.30069	6.7
454.30527	1.1
457.33301	4.6
458.33313	0.7
473.32745	2.6
485.32822	2.8
486.32599	0.7
503.33774	100.0
504.34119	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	503.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01384	1.4
61.98818	1.0
63.99566	0.2
71.01390	0.6
71.05015	1.3
73.02930	0.5
85.02923	0.3
85.53886	0.2
89.02474	0.3
98.19823	0.4
99.00966	0.2
101.02455	0.3
112.43768	0.3
113.02486	0.3
297.14941	0.3
341.14005	0.5
363.26831	0.4
377.28607	0.4
379.30386	0.4
391.30133	1.1
401.28467	0.3
407.29791	0.6
409.31100	1.1
417.28162	0.3
419.29742	0.3
421.31201	1.5
423.29144	0.9
435.28983	0.6
439.32220	0.4
441.33771	0.8
443.31723	1.5
453.30072	5.1
454.30576	1.1
459.34686	0.7
473.32925	0.3
485.32761	11.9
486.33337	1.8
503.33789	100.0
504.34116	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	503.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.2
57.16222	0.2
59.01381	1.4
59.38515	0.2
61.98832	0.4
69.75641	0.8
69.76051	0.4
71.01385	0.3
71.18077	0.2
72.50077	0.2
73.02924	0.2
75.01031	0.2
77.99994	0.2
80.05685	0.2
85.02954	0.2
86.53512	0.2
96.93220	0.2
101.02442	0.2
101.52948	0.2
113.02453	0.2
191.14389	0.2
286.77850	0.2
363.26843	0.2
377.28397	0.4
379.30139	0.3
379.96707	0.2
387.26971	0.3
389.28580	0.3
391.30325	0.2
393.27234	0.2
393.31558	0.9
401.28400	0.8
403.29727	0.5
407.29440	0.4
409.31219	0.5
411.32687	0.3
417.28085	0.4
419.29620	0.5
421.31158	3.3
422.31522	0.6
423.32983	0.3
425.30511	0.5
437.30688	0.2
439.32220	1.0
440.32465	0.3
441.33743	15.9
442.34052	2.2
455.31512	0.2
457.33243	3.0
458.33432	0.4
459.34836	3.6
460.35254	0.7
473.33170	0.2
485.32739	6.6
486.33127	1.0
498.42703	0.2
503.33768	100.0
504.34106	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57473	0.3
57.03457	0.8
58.00594	1.4
58.41474	0.4
59.01380	4.8
60.99305	0.5
61.98822	2.4
63.44110	0.4
69.03458	0.5
69.39822	1.5
69.40243	2.6
71.01403	0.7
71.05042	0.6
73.02939	0.7
78.84018	0.4
83.05026	0.6
85.06590	1.9
87.04507	0.4
95.05031	0.6
97.06615	1.8
98.19890	0.6
122.67648	0.4
123.08165	0.4
131.34964	0.4
151.11418	0.4
153.09218	0.5
166.44269	0.3
166.72659	0.4
209.12097	0.4
223.13435	1.5
249.15068	0.5
261.18643	0.5
305.21289	1.7
311.24194	0.5
387.30606	0.9
389.28571	2.3
405.31802	0.7
406.28610	4.5
407.29324	1.5
421.31134	3.0
422.31268	0.6
423.32788	7.4
424.33005	1.2
425.29852	1.0
441.33957	1.9
443.28046	0.7
455.31763	0.5
457.32971	1.0
458.33713	0.5
459.34943	6.9
460.35263	1.3
467.31699	1.3
469.33224	100.0
470.33578	16.2
485.32898	2.3
503.33920	40.7
504.34335	6.7
513.32300	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.8
59.01381	7.1
60.99313	2.0
61.98832	6.8
62.57082	0.9
71.69730	1.3
73.02943	1.2
74.41335	0.9
78.95907	42.3
82.90935	0.9
85.06595	4.0
85.52172	1.0
87.00916	1.0
87.04530	3.3
94.46117	0.9
95.14151	0.9
96.96979	4.5
97.06605	2.1
97.16387	1.1
111.08144	1.2
113.06104	1.4
125.09774	1.2
135.09528	1.0
137.09827	1.1
139.11308	2.5
152.99603	54.1
153.99916	1.4
171.00677	17.9
179.14380	1.8
185.11783	1.4
227.03279	2.2
231.21202	27.0
232.21558	2.3
245.04306	100.0
245.19069	1.3
246.04648	3.0
275.20163	42.0
275.23160	2.2
276.20486	3.8
277.22723	1.1
305.21176	1.2
333.50092	1.1
412.83087	1.1
425.30551	3.2
441.33829	15.6
442.34103	1.5
443.32181	1.1
459.34540	4.6
473.67316	1.1
485.32831	4.1
503.17416	2.1
503.24167	29.3
503.33676	83.4
504.24338	3.9
504.34012	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	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44660	0.4
55.01876	1.5
57.03444	3.3
58.00576	1.0
59.01379	70.9
60.01723	1.2
61.98833	4.6
68.99809	0.4
69.03485	0.9
69.54915	3.9
71.01385	30.5
71.05017	1.5
72.99317	1.2
73.02949	10.2
75.00890	1.1
78.91898	1.0
83.01394	3.7
83.05038	1.3
85.02956	12.7
85.03439	0.8
87.00867	2.2
87.04538	0.8
89.02451	12.0
89.02980	0.7
93.99545	0.5
95.01402	2.7
95.05041	0.6
97.02984	1.1
97.06588	1.3
97.24084	0.5
99.00883	4.2
99.04518	2.9
101.02457	21.5
107.05051	0.8
109.06604	3.1
111.00894	0.9
113.02464	11.9
113.03240	0.9
115.04062	0.8
119.03525	3.6
121.06575	3.0
125.02467	2.0
131.03511	5.2
133.06537	0.6
135.08136	0.6
136.01727	0.5
139.07646	0.5
143.03523	1.8
149.04602	1.1
159.03015	1.2
161.04576	10.6
161.09674	0.6
162.04926	0.7
163.11339	0.6
165.02255	0.4
165.12860	10.6
179.05635	0.6
179.14407	0.6
183.13911	6.8
189.12854	3.7
191.05466	0.6
191.10878	1.4
197.15533	1.2
207.13910	24.8
208.14325	1.4
209.11842	18.6
210.12184	1.2
225.14932	0.7
227.12895	5.5
233.06696	0.6
233.11980	0.6
251.11311	4.4
251.13150	3.2
269.13986	1.5
281.17850	0.6
293.09058	0.9
293.12463	1.0
314.78815	0.6
371.20743	12.5
372.21255	1.0
421.70840	0.9
422.20871	0.5
441.30136	1.3
457.29803	0.6
485.23819	5.4
486.24152	0.9
503.25043	100.0
503.33163	14.4
504.25369	15.0
504.33334	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	503.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64372	0.4
57.03458	0.4
57.36890	0.3
57.88992	0.3
58.00597	0.7
59.01382	100.0
60.01719	1.0
61.98838	4.7
62.86298	0.4
67.40770	0.3
69.68388	3.0
71.01389	20.7
72.99337	1.4
73.02959	1.8
75.00897	0.4
78.95943	0.8
83.01424	1.3
85.02956	3.6
87.00890	1.9
89.02457	24.8
95.01408	1.5
96.96033	1.4
96.97003	1.1
97.02975	0.6
98.20686	0.8
99.00941	0.5
101.02462	14.3
111.00882	0.4
111.04531	3.5
113.02465	9.7
116.18546	0.4
117.05610	0.3
119.03529	13.2
121.06638	1.4
123.00977	0.3
123.08212	0.9
125.02482	0.7
131.03551	1.7
139.07683	0.4
143.03534	3.5
149.04640	1.3
149.06087	0.4
161.04596	4.8
163.04131	0.4
166.99997	0.5
168.46907	0.3
179.05623	11.9
180.05960	0.5
189.05710	0.8
193.08553	0.4
211.09715	0.5
216.71255	0.4
219.02928	0.4
251.09564	0.4
264.46060	0.4
271.04633	0.5
281.14047	1.4
300.99829	0.5
301.12827	2.0
341.03171	0.5
369.02264	0.4
397.02271	1.0
413.18524	1.0
426.37216	0.4
443.19250	33.5
444.19638	4.1
503.14380	0.5
503.21671	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43299	0.3
57.03444	0.7
58.00592	0.7
59.01379	100.0
60.01729	1.1
61.98827	5.0
70.07593	0.4
71.01385	16.2
71.42651	0.6
72.99323	1.4
73.02970	1.4
78.95892	1.9
83.01414	1.1
85.02960	4.3
87.00915	1.6
89.02454	15.7
95.01424	1.5
96.96024	5.4
96.96964	3.8
97.02966	0.4
98.02496	0.4
99.00907	0.5
101.02455	9.9
110.02511	0.9
111.00880	0.6
111.04552	1.5
113.02472	6.6
119.03516	9.0
121.02930	0.4
123.00946	0.6
125.02493	1.2
131.03528	0.7
143.03462	1.7
149.04588	0.5
149.96861	0.3
152.03581	1.6
161.02446	0.5
161.04573	2.3
169.01443	0.9
179.05632	5.7
189.05687	0.9
189.12982	0.4
191.03595	0.5
219.13994	0.5
249.03952	0.4
263.12909	0.4
275.01953	0.7
281.13980	0.7
301.00009	1.5
301.13031	0.4
341.03336	0.7
356.39487	0.4
379.01245	0.6
397.02158	1.6
423.00143	0.7
443.19235	36.6
444.19638	3.7
502.54376	0.9
503.05005	0.4
503.15164	0.6
503.21539	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2134
Annotation	Furcatoside C
Peak:m/z	Relative Intensity
53.05060	0.5
55.01870	1.3
57.03453	3.2
57.53907	0.6
58.00579	0.8
59.01380	67.7
61.98830	7.2
69.03468	0.5
69.70347	1.7
69.70773	2.5
71.01388	21.9
71.04994	2.0
72.99321	1.2
73.02584	0.7
73.02952	9.6
75.00870	0.9
81.03432	0.6
83.01392	3.5
83.04998	1.5
85.02501	0.7
85.02956	9.7
85.14036	0.5
87.00852	2.9
87.04494	1.6
88.98803	1.2
89.02455	11.2
93.03451	1.2
95.01365	1.3
96.96023	0.9
97.02943	1.4
98.32603	0.6
99.00874	2.5
99.04500	1.2
101.02453	17.6
107.04952	0.7
109.06562	1.6
111.00887	0.6
113.01700	0.6
113.02460	8.0
115.03284	0.7
115.04024	10.3
119.03520	3.6
125.02399	2.3
127.07614	1.0
128.03494	0.6
131.03529	3.2
135.04425	0.8
135.06596	2.2
135.11787	1.2
137.02461	1.1
137.09698	1.5
139.11304	25.4
140.11607	0.8
143.03430	1.4
143.04495	0.9
145.02982	0.7
145.05008	0.6
149.04555	3.7
151.03920	0.8
159.02953	1.3
161.04572	6.7
161.09673	2.1
163.11336	1.2
165.09111	1.7
165.12845	0.8
168.00632	0.6
169.01410	1.0
169.12292	0.7
179.03369	1.5
179.05556	1.2
179.10789	6.8
181.12354	10.6
183.10275	26.4
184.10553	1.5
187.11111	0.5
189.09100	1.2
191.05525	1.3
195.06523	0.8
199.13443	1.4
207.02827	0.6
207.10262	0.8
209.11742	2.0
225.09532	0.5
225.11324	7.2
233.10199	1.1
243.12360	14.2
244.12616	0.8
253.09109	1.5
279.10904	1.4
285.13348	3.9
286.04333	0.7
297.11816	5.7
307.08002	1.0
311.14905	0.9
315.14288	0.9
323.09808	0.6
327.14334	0.8
345.15454	5.4
371.20752	7.8
387.16287	0.9
405.17480	2.2
410.75717	0.5
441.21207	3.0
443.18918	2.8
446.25522	0.5
447.82901	0.6
451.55383	0.6
459.22482	7.4
459.33047	0.7
460.22159	1.1
485.19580	3.1
503.21027	100.0
504.21317	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	503.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81102	0.4
56.76838	0.3
59.01380	1.3
64.49217	0.4
67.39948	0.5
69.03455	3.2
69.47623	4.0
71.01386	1.3
79.01916	0.4
81.03467	1.5
83.01410	1.3
85.02970	0.6
85.06600	5.4
95.01401	1.7
97.02369	0.7
97.02946	3.1
98.19781	0.9
101.02483	0.5
107.01413	1.3
108.02186	1.0
109.02976	1.4
113.02480	0.7
113.06113	1.6
115.04038	1.2
121.02976	0.7
123.00910	7.5
124.01690	20.0
125.02469	72.2
125.92334	0.4
126.02847	2.1
137.02492	4.3
138.03223	0.5
139.04036	1.6
149.06027	0.5
149.99612	31.9
151.00414	2.7
151.03979	0.6
165.01915	0.5
167.03561	1.1
168.00670	67.4
169.01447	19.2
170.01752	0.9
182.71095	0.5
187.33038	0.4
211.02557	0.6
221.22330	0.5
313.05655	5.0
327.66861	0.4
331.06680	3.7
345.08133	1.2
355.06537	0.4
373.07813	1.4
485.13150	1.3
503.14023	100.0
504.14346	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	503.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82081	0.9
55.01862	1.0
59.01385	17.8
61.98830	9.0
62.37921	0.9
62.87803	0.8
67.01900	1.8
69.03453	2.4
69.39087	9.0
69.39497	1.5
71.01385	15.5
72.99297	0.9
73.02951	15.4
79.01897	2.0
81.03447	0.8
83.01402	10.6
85.02953	4.3
85.06600	30.5
89.02438	4.5
93.03526	1.2
95.01394	4.9
97.02962	3.0
98.19848	2.1
99.00900	1.5
99.04514	0.9
101.02456	7.1
107.01407	11.4
108.02230	1.3
109.02986	1.2
111.00883	2.2
113.02484	7.3
113.06103	6.7
115.04020	7.4
119.03545	1.1
123.00904	33.6
124.01741	1.3
125.02467	47.4
126.02777	1.2
129.05571	2.5
131.03561	1.4
139.00418	6.2
139.04033	4.2
140.01184	2.0
141.01944	3.9
151.00394	23.8
153.01930	1.4
157.05141	1.0
163.60144	1.1
165.01982	1.4
166.99869	1.3
167.03539	2.5
168.00662	6.4
169.01453	68.3
170.01657	2.2
183.03012	13.9
189.07693	1.7
193.01465	1.6
211.02498	10.7
225.04048	3.4
253.03615	1.3
301.03564	1.7
313.05594	6.5
331.06680	4.8
337.11469	1.8
339.65378	0.9
345.08267	27.1
345.12473	1.4
346.08679	2.5
356.28433	1.0
373.07779	47.1
374.08118	3.4
387.09442	2.9
485.13159	6.5
486.13397	1.1
503.14096	100.0
503.21249	10.7
504.14709	13.9
504.21393	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	503.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82357	0.4
57.03458	0.5
59.01386	4.2
61.98837	5.8
65.00327	1.1
69.03464	1.5
71.01385	2.2
72.73414	0.4
72.99329	0.5
73.02958	0.6
81.03474	0.9
83.01381	1.9
85.02955	0.9
85.06599	20.0
89.02460	1.2
95.01413	1.3
97.02967	2.0
99.92580	0.8
101.02474	1.0
107.01387	3.4
108.02238	0.7
109.02987	0.6
111.00919	0.6
113.02478	1.1
113.06095	4.1
115.04022	4.4
116.92879	9.6
123.00883	3.4
124.01688	5.7
125.02465	72.6
126.02809	1.9
128.03609	0.4
137.02509	0.8
139.00407	1.2
139.04024	3.7
140.01187	1.0
151.00397	12.1
157.05048	0.6
161.04698	0.6
165.01964	1.6
165.05579	0.9
166.99889	1.6
167.03523	0.5
168.00670	12.5
169.01448	100.0
170.01785	3.0
175.00407	0.5
177.02049	0.6
183.03012	11.9
189.07721	0.7
193.01488	1.4
211.02460	1.4
211.12537	0.5
224.36171	0.4
229.76740	0.5
282.46436	0.5
306.07523	0.7
311.09204	0.8
313.05652	5.4
327.08746	1.1
331.06699	12.8
345.08203	3.8
357.06372	0.7
357.13318	2.5
373.07794	8.5
447.61197	0.4
459.25671	0.5
467.10440	0.5
485.13177	1.0
502.19647	0.9
503.14108	62.3
503.21152	14.8
504.14325	5.2
504.20886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01091	0.2
51.79914	0.2
59.01371	1.1
61.98831	100.0
69.61665	1.8
71.01402	0.3
76.07325	0.2
87.04523	11.4
88.04855	0.2
98.20634	0.2
119.32378	0.2
181.51747	0.2
185.20184	0.2
210.12442	0.2
248.53499	0.2
307.22903	0.8
353.28607	0.3
355.26584	0.7
371.29663	0.9
415.28784	0.4
433.29730	0.3
458.33453	0.3
502.32077	1.8
503.33517	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	502.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
61.80587	0.2
61.98829	100.0
71.66341	0.3
87.00906	0.2
96.96019	0.2
97.53975	0.2
164.08031	0.2
181.68634	0.2
209.12015	0.2
261.93057	0.2
454.63229	0.2
485.32864	0.2
502.31888	1.3
503.34079	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	503.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
61.98839	2.9
69.50332	2.2
71.01390	2.9
72.99309	0.5
73.02958	1.9
74.99098	0.3
75.00883	1.0
83.01411	0.4
85.02969	0.7
86.94608	0.2
87.00896	0.8
89.02450	1.6
93.03461	0.4
95.01395	0.3
96.96011	0.3
97.02944	0.3
99.00889	0.9
99.92603	7.7
100.92618	0.4
101.02456	2.2
107.01399	0.3
109.02966	0.3
113.02473	0.7
115.00407	0.4
116.92883	100.0
117.01973	3.9
117.05604	0.8
117.92893	5.3
119.03522	0.6
119.05042	0.5
123.00899	0.7
125.02495	1.6
132.04558	0.4
134.03751	0.4
135.04549	0.4
139.00395	0.5
145.02991	1.0
149.06123	0.4
151.00447	0.4
160.01666	0.5
161.02400	0.4
161.04642	0.4
163.04092	0.4
168.00679	0.4
169.01413	1.6
175.03976	0.4
176.03520	0.4
177.02086	0.3
179.03470	0.3
179.05612	0.4
186.70944	0.3
193.05042	0.6
205.05153	0.5
211.02623	0.3
223.06174	0.3
271.04706	0.4
281.13730	0.3
327.08929	0.3
503.17896	4.6
504.17523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.7
59.60773	0.3
61.98838	2.4
68.99755	0.2
69.93567	0.5
69.93986	1.0
71.01385	1.5
72.99310	0.5
73.02946	2.1
75.00879	0.8
83.01381	0.3
85.02967	0.7
87.00876	0.6
89.02450	1.2
89.97265	0.2
90.94350	0.3
98.20606	0.4
99.00906	0.8
99.92601	7.9
100.92612	0.6
101.02465	1.0
113.02471	0.9
115.00440	0.2
116.92879	100.0
117.01961	5.6
117.05607	0.7
117.92895	4.6
119.03546	0.5
123.00887	0.9
124.43365	0.3
125.02448	2.0
134.03781	0.4
139.00426	0.4
149.06117	0.4
151.00409	0.4
160.01685	0.9
168.00676	0.5
169.01453	1.8
170.01773	0.3
175.04036	1.0
179.07269	0.4
190.02724	0.5
193.05112	0.7
205.05124	0.7
211.02600	0.6
221.96315	0.4
222.96982	0.3
223.06253	0.5
224.99847	0.2
236.98697	1.0
237.99393	0.8
253.01729	1.0
271.04730	0.5
281.13580	0.3
298.82407	0.3
300.99838	0.5
341.03323	0.4
351.16708	0.5
400.04565	0.3
415.07162	0.6
485.16177	0.3
502.20200	0.3
503.19995	6.7
504.19183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.7
59.60773	0.3
61.98838	2.4
68.99755	0.2
69.93567	0.5
69.93986	1.0
71.01385	1.5
72.99310	0.5
73.02946	2.1
75.00879	0.8
83.01381	0.3
85.02967	0.7
87.00876	0.6
89.02450	1.2
89.97265	0.2
90.94350	0.3
98.20606	0.4
99.00906	0.8
99.92601	7.9
100.92612	0.6
101.02465	1.0
113.02471	0.9
115.00440	0.2
116.92879	100.0
117.01961	5.6
117.05607	0.7
117.92895	4.6
119.03546	0.5
123.00887	0.9
124.43365	0.3
125.02448	2.0
134.03781	0.4
139.00426	0.4
149.06117	0.4
151.00409	0.4
160.01685	0.9
168.00676	0.5
169.01453	1.8
170.01773	0.3
175.04036	1.0
179.07269	0.4
190.02724	0.5
193.05112	0.7
205.05124	0.7
211.02600	0.6
221.96315	0.4
222.96982	0.3
223.06253	0.5
224.99847	0.2
236.98697	1.0
237.99393	0.8
253.01729	1.0
271.04730	0.5
281.13580	0.3
298.82407	0.3
300.99838	0.5
341.03323	0.4
351.16708	0.5
400.04565	0.3
415.07162	0.6
485.16177	0.3
502.20200	0.3
503.19995	6.7
504.19183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.322
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
53.55288	0.2
57.36833	0.2
59.01381	15.5
60.99288	0.3
61.98835	1.2
61.99076	0.2
71.05019	0.2
85.39467	0.2
85.47417	0.2
98.20661	0.3
100.22414	0.2
103.02836	0.2
238.98300	0.2
263.16553	0.9
339.23315	0.9
355.22595	0.2
369.24356	0.4
370.25061	1.3
371.25739	0.5
402.24225	2.2
403.24582	0.3
421.31000	0.6
437.30228	0.3
439.32053	1.5
440.32950	0.2
441.30069	60.6
442.30441	8.3
442.36600	0.4
455.31433	1.0
457.33020	0.9
469.47269	0.2
483.31024	0.3
501.32190	100.0
502.32565	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	502.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36856	0.1
58.41221	0.1
59.01376	2.0
61.98831	100.0
62.98518	0.2
70.88309	0.2
70.88634	0.2
71.01382	1.1
72.99326	0.1
73.02962	0.3
85.02962	0.3
87.00912	0.3
89.02471	0.5
90.10401	0.1
96.96051	0.4
98.20541	0.2
99.00858	0.2
99.92605	0.3
101.02482	0.6
107.01430	0.1
111.08128	0.1
113.02464	0.5
114.93438	0.1
115.00404	0.2
116.92879	5.1
117.02004	0.3
121.52612	0.1
123.00932	0.7
124.01699	0.1
125.02456	1.0
126.02825	0.3
131.03529	0.2
135.04549	0.2
137.02556	0.2
139.00401	0.2
150.05696	0.2
151.00409	0.3
151.04070	0.2
161.02530	0.2
161.04500	0.2
168.00636	0.3
169.01450	1.1
170.01773	0.2
176.26514	0.2
179.03484	0.2
190.02815	0.2
194.05861	0.3
209.08243	0.4
211.02556	0.3
271.04733	0.3
272.04642	0.1
280.12842	0.2
300.99805	0.2
306.07788	0.4
309.00888	0.1
413.13986	0.2
502.20221	2.9
503.22061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98832	100.0
69.49375	1.2
69.49801	1.1
71.05042	0.3
82.84911	0.2
87.04572	0.3
96.96082	0.3
175.26743	0.2
217.80057	0.2
220.83871	0.2
412.20694	0.2
425.30646	0.6
441.33951	1.0
458.33347	0.3
502.32745	2.2
503.34109	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3221
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
57.03446	0.2
59.01366	0.6
61.98809	0.2
97.06590	0.1
109.06623	0.2
125.09741	1.6
137.09787	0.1
234.58034	0.1
311.23969	0.2
325.21671	0.4
343.26529	0.1
363.26910	0.4
371.25858	0.4
381.31696	0.2
395.29791	0.8
397.31052	0.2
411.32617	0.3
439.32251	0.3
455.31622	0.4
457.33276	2.8
458.33606	0.4
465.90765	0.1
471.31467	0.2
501.32190	100.0
502.32541	12.1
502.40244	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76793	0.2
57.03439	0.5
57.56730	0.2
58.20280	0.2
59.01368	0.7
60.99303	0.3
61.98815	0.7
62.84635	0.2
69.85575	0.2
71.05026	1.0
73.02956	0.3
77.18386	0.2
96.96032	0.2
111.04522	0.2
174.44084	0.2
361.29391	0.2
363.26950	0.3
373.96021	0.2
377.28494	0.5
378.28793	0.2
379.30014	0.5
387.26889	0.3
389.24750	0.3
391.30243	0.4
393.31839	0.9
394.31808	0.3
401.28766	0.9
403.30057	0.8
405.27786	0.2
407.29333	0.3
409.30927	0.3
411.32794	0.4
417.28165	0.3
419.29547	0.9
421.31134	3.9
422.31476	0.6
423.29044	0.3
435.29059	0.2
437.30728	0.5
439.27719	1.1
439.33240	3.0
440.32947	0.4
441.30011	0.9
455.31543	1.3
457.33716	1.2
458.33160	0.3
483.31210	6.1
484.31311	1.2
501.32211	100.0
502.32553	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	501.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
58.00575	0.3
59.01376	0.3
71.05023	0.4
73.02955	1.5
73.63290	0.2
77.33787	0.3
83.05043	0.6
96.98471	0.2
111.04526	0.6
262.46698	0.2
299.30124	0.3
363.26877	0.9
377.28506	0.8
379.30072	0.8
385.29138	0.5
387.26865	0.8
389.24939	0.7
391.30106	0.8
393.31668	1.9
394.32184	0.5
401.28506	2.3
402.28830	0.4
403.30182	1.6
405.27997	0.4
407.29572	0.6
409.31104	1.3
417.28101	1.1
419.29697	1.3
421.31110	8.4
422.31381	1.3
435.29114	0.4
437.30569	0.9
439.32254	0.8
453.30167	0.7
455.31592	3.2
471.31125	0.8
483.31174	0.8
501.32205	100.0
502.32553	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	501.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
59.01363	0.7
61.98827	0.4
71.05022	6.6
76.96325	0.2
83.05018	0.5
98.19878	0.5
121.06591	0.4
123.08126	0.3
151.86441	0.2
173.09703	0.6
189.12871	1.4
239.14491	0.3
261.80951	0.3
273.18811	0.3
313.25430	0.5
343.24109	0.3
371.27530	0.3
373.29047	2.5
375.26968	3.7
376.27167	0.6
391.30057	40.1
392.30383	6.0
407.29544	0.5
409.31253	2.4
410.31793	0.3
417.46274	0.3
455.31784	1.8
483.31198	0.7
501.32211	100.0
502.32544	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	501.3226
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
57.03418	0.5
59.01377	2.5
61.98829	3.9
71.05015	0.5
72.99332	0.5
85.06600	1.2
87.00872	0.9
97.06567	0.6
102.32520	0.4
161.04590	1.1
187.11267	1.4
189.12848	7.1
205.15973	26.6
206.16251	2.7
231.13954	0.7
247.13248	0.7
249.14964	5.9
251.16461	1.1
253.17972	0.9
357.29822	1.1
397.31168	3.4
413.34576	3.1
416.29898	0.6
439.31750	1.5
457.33243	9.5
458.33286	2.0
501.32010	100.0
502.32291	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	501.3221
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
58.06953	0.2
59.01381	0.4
60.99302	0.5
61.98830	0.4
67.13242	0.2
71.05013	0.3
71.24943	0.2
71.25292	0.4
78.95919	0.8
83.05016	0.2
85.06602	0.4
88.71222	0.2
112.77839	0.2
115.66328	0.2
144.72556	0.2
163.87321	0.2
168.04308	0.3
189.79567	0.2
203.98598	0.2
242.08011	0.4
277.21713	14.0
283.66226	0.2
292.77390	0.2
301.62146	0.2
303.19681	1.2
391.30203	0.3
393.31793	0.3
437.30319	0.5
439.32123	6.7
440.32602	1.2
455.31830	0.6
457.33435	0.6
483.30988	1.5
501.32205	100.0
502.32690	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	501.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77158	0.3
56.22505	0.3
59.01384	2.1
61.98829	1.8
71.01388	1.8
71.05027	1.7
71.31011	0.6
73.02953	4.4
75.00866	0.3
83.05021	0.3
85.02943	0.6
88.63068	0.3
89.02440	0.5
97.06606	0.4
101.02462	0.7
111.08176	0.3
113.02476	0.6
123.08237	0.3
139.07657	0.3
161.04553	0.4
215.14462	0.3
255.17468	0.3
339.12286	0.5
339.25354	1.1
345.22513	0.4
357.25986	0.8
359.23672	0.4
369.22806	0.7
373.25470	0.6
375.26779	0.6
377.24789	0.7
379.26331	0.4
389.28647	0.5
391.26358	1.2
393.28033	0.9
395.29388	0.4
405.28091	0.6
407.29736	4.6
408.29901	0.7
409.31198	0.8
421.27588	0.5
423.29086	3.2
425.26630	1.0
425.30792	1.2
430.52365	0.3
437.30911	1.6
439.28271	1.9
440.28641	0.3
441.30045	0.7
449.96661	0.3
455.31662	64.4
456.31964	10.1
457.33420	2.6
458.34024	0.4
501.31982	100.0
502.32312	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	501.2339
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
55.01874	1.8
57.03456	7.5
58.00592	2.0
59.01379	93.7
60.01723	0.8
61.98831	24.2
69.03468	1.0
71.01386	35.5
71.05037	1.0
72.99324	2.2
73.02956	11.3
83.01393	5.1
83.05035	4.1
85.02959	17.6
87.00885	8.8
87.04528	1.7
88.98859	0.8
89.02451	11.2
93.03487	1.1
95.01405	3.0
95.05021	1.4
96.96040	1.0
97.02937	1.0
97.06615	2.5
99.00881	4.5
99.04527	2.3
101.02455	27.3
107.05045	4.6
108.02195	0.8
109.02985	1.1
109.06632	2.4
111.00903	1.9
113.02474	14.1
113.06137	0.9
119.03532	3.6
119.04990	1.8
120.05854	3.6
120.99696	1.5
121.06636	1.8
123.00939	2.6
123.08170	0.9
125.02448	4.4
125.06126	1.1
129.02002	0.9
131.03525	4.4
135.04555	3.0
135.08189	1.0
135.11819	1.2
136.05307	0.9
143.03540	1.7
145.02995	1.3
151.00444	1.1
151.07709	2.7
152.04787	1.0
159.03038	2.8
159.08310	0.8
159.11864	0.8
161.02493	2.1
161.04581	14.6
161.09737	15.3
161.13368	7.0
162.10139	1.0
162.13789	0.8
163.11275	2.4
168.00581	0.9
169.01433	3.4
174.07040	0.8
179.03540	0.8
179.05615	1.5
179.10831	1.6
187.11293	17.5
188.11656	1.2
189.09216	9.5
189.12802	4.8
205.12341	15.3
206.12692	1.0
207.10269	15.9
207.13976	3.0
223.13367	5.2
233.10255	1.8
244.02977	0.7
249.11305	7.1
251.11299	25.1
252.11609	1.3
267.12357	4.3
267.15967	3.0
279.16061	0.9
293.12317	4.9
339.25595	1.4
357.15567	1.7
369.19156	8.5
420.19879	5.4
420.69934	2.0
421.20575	1.0
439.28650	1.2
441.29333	2.3
453.28735	2.1
465.28586	1.7
483.22415	2.0
483.33325	2.0
501.23477	100.0
501.30841	13.5
502.23853	15.8
502.30878	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	501.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99680	0.2
55.01875	0.4
57.03436	0.5
57.55763	0.2
59.01124	0.3
59.01384	4.9
61.98545	0.4
61.98833	4.2
67.01875	0.7
68.99821	0.4
69.03455	0.7
69.27248	0.2
69.41644	2.8
71.01385	3.9
72.99309	0.7
73.02941	0.8
73.86236	0.2
75.00871	0.4
78.91917	0.4
79.01910	0.6
80.91692	0.6
81.03461	0.4
83.01401	0.5
85.02966	1.2
87.00883	0.5
89.02446	1.8
95.01409	1.6
97.02979	0.8
99.00892	0.4
99.04518	0.3
101.02456	2.5
107.01408	3.2
109.02972	0.3
110.00127	0.3
111.00911	1.9
113.02448	1.0
116.92863	0.5
119.03516	0.6
119.05013	0.7
121.02972	0.5
123.00905	12.1
124.01775	1.2
125.02465	15.0
126.02828	0.3
127.00404	0.4
135.04561	0.2
136.98819	0.9
137.02403	0.5
139.00395	3.6
139.04074	0.4
140.01198	2.5
141.01953	1.5
149.94760	0.2
150.03244	0.2
151.00394	9.9
151.03983	0.6
152.00760	0.4
153.01939	0.6
159.02876	0.2
160.25299	0.2
161.04613	0.5
163.04066	0.2
165.01962	0.4
168.00662	4.0
169.01447	25.6
170.01747	0.7
177.04071	1.4
179.03493	0.3
181.05061	0.4
211.02487	5.9
212.02852	0.4
235.12767	0.2
241.03633	0.3
253.03528	0.3
271.04587	6.8
272.04889	0.3
275.01855	0.3
280.37720	0.2
300.99826	0.5
302.13571	0.3
313.05728	1.8
315.90765	0.2
320.85919	0.6
329.05228	0.3
451.52319	0.4
501.19775	100.0
502.20151	12.0
502.27603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.234
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
53.71335	1.0
54.00875	0.7
55.01874	1.4
57.03445	8.5
58.97853	0.8
59.01381	100.0
60.01715	1.9
61.73481	0.8
61.98836	14.5
64.30695	0.9
69.03449	2.0
71.01389	32.1
71.05032	2.2
72.99314	2.1
73.02950	11.9
75.00911	1.3
81.03452	0.9
81.31389	0.9
83.01416	5.9
83.05041	3.7
85.02960	14.8
85.84787	0.9
87.00893	7.1
87.04494	1.5
88.98805	0.9
89.02455	11.9
93.03477	2.2
95.01409	3.2
95.05019	1.2
96.96022	1.3
97.02968	2.2
97.06599	1.8
98.19890	2.1
99.00903	5.6
99.04531	1.6
101.02460	25.7
107.05059	3.7
108.82723	0.9
109.06585	1.2
111.00881	2.0
111.04562	0.9
113.02462	16.1
113.50796	0.8
114.02824	0.9
119.03521	2.5
120.05806	3.3
121.02991	1.7
123.00905	2.9
124.01677	3.8
125.02464	7.6
125.06087	1.7
128.03651	0.9
131.03520	3.5
133.10300	1.1
135.04541	1.5
135.08176	2.2
135.11830	1.9
137.02478	2.1
141.02000	1.0
143.03558	1.4
143.04578	1.4
149.04608	1.5
149.99634	2.5
151.00362	2.0
151.07642	2.4
151.73346	1.0
152.04817	1.2
153.01907	0.9
159.03026	1.7
159.11871	0.9
161.04570	12.0
161.09721	13.5
161.13383	8.6
163.11331	4.4
167.04764	1.1
168.00671	5.8
169.01411	5.5
176.01163	4.2
177.01999	1.9
179.10802	3.4
187.11293	20.6
189.09219	11.5
189.12831	1.3
205.12331	15.2
206.12601	1.2
207.10268	10.7
211.02463	1.4
221.11778	1.6
223.13452	4.1
233.10246	3.1
249.11246	5.2
251.07713	2.0
251.11340	23.2
252.11531	1.3
267.12497	5.3
267.15952	3.6
271.04880	1.0
283.23199	0.9
293.12344	5.9
295.10223	1.3
306.07632	3.1
337.07126	2.3
369.19141	3.3
438.20392	1.1
448.14856	1.0
483.22598	1.6
501.23792	81.6
501.30328	3.5
502.24112	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	501.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88033	0.5
55.01856	0.5
59.01379	8.1
60.30751	0.4
61.22746	0.5
61.98825	5.9
64.58176	0.5
67.01888	1.8
69.03458	1.9
71.01393	3.7
71.74568	0.6
73.02959	1.2
74.62825	0.5
75.00856	0.7
76.92732	0.5
78.95917	0.8
79.01887	0.6
81.03460	1.0
83.01402	1.3
85.02956	2.3
87.00891	1.5
89.02457	1.7
93.03447	1.3
95.01399	21.0
96.96019	10.0
96.96942	3.0
97.02943	2.7
99.00874	1.3
101.02456	2.4
107.01398	1.5
108.02186	19.7
109.02975	10.8
111.00901	3.3
113.02473	1.8
115.92060	0.6
117.01955	1.8
119.05029	0.7
121.02966	1.7
123.00902	31.8
125.02470	9.6
131.05049	0.6
135.00891	1.1
135.04561	1.0
137.02487	1.5
139.00392	13.2
140.01172	1.1
141.01974	4.2
141.02913	0.8
145.02972	0.8
147.04523	1.1
149.02466	1.1
151.00401	4.3
151.04001	1.4
151.99930	1.2
152.01169	25.6
153.01956	7.1
158.03720	1.0
159.04539	1.9
161.02443	1.1
163.00327	0.7
163.04042	1.1
165.01932	0.9
166.99876	17.5
167.03485	0.9
168.00720	3.0
169.01448	11.6
171.04471	0.8
175.03995	2.0
177.01938	0.9
185.02333	1.0
187.04019	1.4
189.01926	0.6
189.05470	0.7
191.03677	0.6
192.00606	1.1
193.01414	1.1
203.03484	1.7
207.03017	1.5
211.02534	3.5
213.01959	1.0
215.03481	1.5
219.02934	1.1
220.09914	0.9
225.15556	0.5
229.01454	0.9
231.02881	0.8
234.05299	0.7
243.02919	0.6
258.01608	0.8
259.02377	3.3
265.09241	0.7
271.04535	2.3
271.87396	0.6
279.08633	2.9
297.06155	1.7
300.99744	1.2
309.99014	0.6
311.04037	0.7
313.05692	1.9
315.07236	4.1
325.11469	1.1
383.15158	0.8
419.06058	0.9
421.07788	12.0
437.07135	0.7
438.11255	0.6
439.08615	3.6
441.16177	0.7
465.06714	100.0
466.07025	8.9
501.19843	35.9
502.20117	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	501.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
56.20270	0.9
57.03464	2.1
58.00608	2.5
59.01380	81.9
59.30852	1.0
60.99332	1.0
61.98835	18.6
69.03471	4.2
69.66605	8.7
71.01386	68.8
72.01732	1.7
72.99325	3.7
73.02959	11.5
78.95927	1.1
79.01894	1.2
81.03468	2.5
83.01378	6.5
83.92468	1.1
85.02950	12.9
85.99165	1.1
87.00910	4.6
88.98792	1.4
89.02452	70.9
95.01398	5.5
96.96029	1.3
97.02947	6.2
99.00930	3.4
101.02451	21.7
107.01424	5.3
108.02232	3.6
109.03003	4.0
111.00927	3.2
113.02462	16.4
117.05628	2.7
119.03513	5.6
123.00897	15.9
123.04580	2.1
124.01733	4.2
125.02464	59.1
127.04060	1.1
128.03589	1.0
131.03522	13.9
135.04630	1.2
136.98862	1.1
139.00450	4.7
139.04068	1.4
140.01189	4.4
141.01993	2.6
143.02486	0.9
143.03545	4.9
143.04654	1.5
147.04547	17.6
148.04892	1.2
149.02568	2.1
149.04573	23.3
149.99637	3.1
150.03375	1.0
151.00377	11.5
151.01361	1.0
151.04062	1.5
152.01218	3.5
153.01942	5.6
159.03000	1.2
161.04572	12.3
163.04050	1.2
163.88609	1.1
165.05653	1.6
168.00671	11.6
169.01443	29.8
169.02747	2.0
177.02042	2.9
191.03636	1.1
191.05679	2.2
200.01625	1.1
205.06366	1.4
211.02475	17.0
211.04300	1.3
233.06740	2.1
237.23109	0.9
256.03372	1.0
271.02048	2.3
271.04620	21.4
271.07370	1.1
272.05017	2.3
289.01837	1.1
293.08765	50.2
294.09164	2.8
300.02939	3.2
301.03476	1.3
306.07813	4.0
309.10001	2.5
313.05664	1.7
331.06931	2.4
438.10922	1.2
441.14142	1.3
457.17416	7.2
463.09259	2.9
463.22028	2.1
483.18533	3.8
501.19995	100.0
502.20422	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	500.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.5
61.69081	0.4
61.98835	3.2
71.01399	1.9
71.11703	0.3
71.51138	0.5
73.02951	1.0
78.95918	0.9
85.02993	0.5
87.00886	57.2
88.01215	0.4
89.02448	1.0
93.03506	0.5
95.01400	0.5
96.96028	7.0
96.96954	2.8
98.02464	0.5
99.00892	27.3
100.01207	0.4
101.02452	1.3
106.06648	0.6
108.08208	0.4
109.02975	0.9
111.00920	0.6
113.02456	0.7
116.92873	1.6
117.01957	100.0
118.02294	1.2
119.03522	0.7
121.02960	0.6
123.00897	1.9
123.04546	1.4
125.02454	1.1
134.06166	4.2
135.06949	0.9
136.07692	7.4
137.02472	0.4
138.05655	0.5
139.00412	0.8
146.06114	0.7
149.04845	1.6
151.00389	0.5
153.01952	0.6
162.05659	0.5
164.07188	17.1
166.05121	0.8
169.01453	2.0
174.09344	0.5
177.07962	0.4
183.03090	0.7
192.00623	0.7
192.10300	1.4
202.08826	0.6
203.17279	0.4
207.03017	0.8
211.02574	0.4
217.26540	0.4
219.09012	1.0
220.09792	41.8
221.10167	2.3
342.11292	0.6
358.14792	0.5
382.15082	29.9
383.15411	2.8
437.11121	1.4
465.06525	2.7
482.16843	0.6
500.17825	7.8
501.12161	0.9
501.19424	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	500.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
60.09593	0.1
61.98832	100.0
62.98520	0.2
71.01396	0.3
73.02958	0.2
81.82464	0.1
95.97330	0.1
96.96024	0.2
97.08835	0.1
98.19805	0.3
101.02445	0.4
111.70567	0.1
131.03569	0.2
145.02985	0.1
201.03152	0.1
245.52733	0.1
264.35815	0.1
306.19965	0.2
307.20395	0.2
308.20511	0.2
377.17236	0.1
500.28830	0.2
501.32297	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	500.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98833	100.0
62.83313	0.1
69.52558	1.6
99.96172	0.2
100.21726	0.2
101.02459	0.2
106.05490	0.2
107.65417	0.1
124.34811	0.2
217.21123	0.2
319.13153	0.1
500.30579	0.5
501.32001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.4
61.98833	100.0
70.39316	1.8
80.17776	0.4
108.38154	0.4
125.06083	0.5
152.50577	0.5
181.46176	0.4
184.32224	0.4
244.06223	0.5
278.67117	0.4
358.70511	0.6
424.33038	0.5
452.77716	0.5
469.86783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24014	0.3
56.47823	0.3
58.74524	0.3
59.01381	80.6
60.01715	0.6
61.98833	1.1
69.65311	2.0
69.65723	0.7
72.99318	1.2
90.33695	0.4
90.97163	0.7
107.99481	0.3
115.02576	0.4
132.98221	2.1
153.03397	0.4
156.99968	0.8
157.03584	2.4
159.01506	2.8
159.82358	0.3
174.99269	24.9
175.99608	0.6
192.96085	0.4
201.02574	37.7
202.02707	2.9
215.04181	1.1
217.00317	100.0
218.00629	2.7
292.96271	0.8
299.01096	0.8
323.42258	0.4
343.03693	3.2
359.01474	72.9
360.01678	7.1
500.99402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.5
61.69081	0.4
61.98835	3.2
71.01399	1.9
71.11703	0.3
71.51138	0.5
73.02951	1.0
78.95918	0.9
85.02993	0.5
87.00886	57.2
88.01215	0.4
89.02448	1.0
93.03506	0.5
95.01400	0.5
96.96028	7.0
96.96954	2.8
98.02464	0.5
99.00892	27.3
100.01207	0.4
101.02452	1.3
106.06648	0.6
108.08208	0.4
109.02975	0.9
111.00920	0.6
113.02456	0.7
116.92873	1.6
117.01957	100.0
118.02294	1.2
119.03522	0.7
121.02960	0.6
123.00897	1.9
123.04546	1.4
125.02454	1.1
134.06166	4.2
135.06949	0.9
136.07692	7.4
137.02472	0.4
138.05655	0.5
139.00412	0.8
146.06114	0.7
149.04845	1.6
151.00389	0.5
153.01952	0.6
162.05659	0.5
164.07188	17.1
166.05121	0.8
169.01453	2.0
174.09344	0.5
177.07962	0.4
183.03090	0.7
192.00623	0.7
192.10300	1.4
202.08826	0.6
203.17279	0.4
207.03017	0.8
211.02574	0.4
217.26540	0.4
219.09012	1.0
220.09792	41.8
221.10167	2.3
342.11292	0.6
358.14792	0.5
382.15082	29.9
383.15411	2.8
437.11121	1.4
465.06525	2.7
482.16843	0.6
500.17825	7.8
501.12161	0.9
501.19424	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	500.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60055	0.5
52.27158	0.6
53.65322	0.6
57.03429	0.9
59.01380	13.3
60.01673	1.2
61.98833	27.6
61.99134	1.2
67.01855	0.8
69.09234	0.5
70.17107	2.7
71.01387	8.5
72.99284	0.8
73.02914	2.3
78.91890	0.6
79.01890	0.6
80.91695	0.6
83.01360	1.1
85.02954	3.1
87.00867	0.8
89.02457	3.0
93.03465	11.8
94.03788	3.2
95.01424	2.5
96.95996	0.8
97.02911	1.6
99.00842	0.8
101.02455	4.9
107.01412	6.8
108.02231	0.6
109.02914	2.4
111.00899	3.0
111.93956	0.5
113.02436	3.3
116.92805	0.8
119.03471	1.1
121.02979	11.3
122.03259	0.6
122.99975	0.7
123.00903	16.9
123.04538	14.9
124.01719	3.1
125.02460	41.6
126.02769	1.3
127.00357	1.2
136.98781	1.5
137.02400	1.2
139.00389	4.6
139.03999	1.8
140.01208	2.7
141.01868	2.2
143.03435	0.8
149.99603	0.8
151.00395	13.6
153.01945	5.1
159.02945	0.5
161.04523	1.3
163.03972	0.8
165.01970	2.8
166.02228	1.1
167.03447	1.1
168.00644	5.6
169.01443	64.3
170.01743	2.3
177.03958	0.9
179.03465	2.4
180.03804	1.5
183.02869	0.6
191.03548	0.6
207.03026	0.6
211.02483	5.7
241.03467	1.0
249.04021	0.6
249.09825	3.1
249.74982	0.6
250.10187	3.1
253.03505	1.4
267.10797	2.1
268.11185	1.9
271.04568	5.0
297.06119	1.3
300.99988	1.3
309.12079	1.2
310.12131	1.7
313.05649	21.1
314.05902	1.2
326.07501	0.7
331.06467	0.7
437.10889	100.0
438.11166	11.6
440.22046	1.1
451.02338	1.5
451.52905	0.6
456.08954	0.5
497.54419	0.6
500.18909	4.3
501.19775	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21342	0.1
55.44976	0.1
56.52470	0.1
59.01374	0.5
60.99297	0.7
61.46882	0.1
61.98555	0.1
61.98830	1.6
71.01407	0.2
71.05019	0.5
71.66663	0.2
73.02926	0.1
75.00871	0.2
83.05016	0.3
85.02925	0.1
96.95995	0.2
101.02450	0.2
127.04015	0.3
139.07640	0.1
149.70068	0.1
183.13954	0.6
185.25140	0.1
195.13907	1.7
196.14290	0.1
206.48123	0.1
211.13409	2.5
213.14920	0.8
337.25107	0.2
359.26343	0.3
363.26730	0.2
377.26947	0.4
379.30014	0.4
381.27942	0.2
391.30148	0.2
403.26205	0.2
407.28125	0.8
419.29407	1.1
423.28830	0.3
425.29053	2.1
426.29440	0.4
437.30612	1.1
455.31628	3.5
456.32089	0.5
481.29675	0.2
499.30646	100.0
500.30978	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	500.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
57.23431	0.5
59.01084	1.0
59.01377	18.4
60.01721	0.6
61.98830	28.1
65.00298	0.8
67.01900	0.9
69.70398	3.5
71.01385	10.2
72.99297	1.0
73.02940	2.3
73.36701	0.5
78.95899	2.2
81.03457	0.5
83.01415	1.2
85.02942	3.4
87.00873	1.6
89.02441	4.9
93.03461	1.0
95.01395	1.1
96.96023	1.3
97.02956	1.0
99.00900	1.1
101.02463	5.4
105.35474	0.6
107.01380	3.0
108.02196	1.5
109.02959	1.8
111.00868	2.6
111.01548	0.6
113.02452	3.7
113.38559	0.5
115.00352	0.6
117.03430	0.6
119.03489	1.3
121.02931	0.7
123.00890	8.0
123.04523	1.5
124.01685	2.8
125.02463	31.5
126.02810	1.6
127.00416	0.9
133.03015	0.6
135.04507	0.6
136.98779	1.4
137.02466	1.8
139.00394	3.5
139.04005	1.4
140.01181	3.8
141.01892	1.0
143.03514	1.0
145.02994	0.5
146.27946	0.6
149.02361	0.6
149.99626	0.6
151.00386	6.0
152.01102	1.7
152.44220	0.6
152.99614	4.8
153.02032	1.2
154.99873	0.8
156.01497	0.5
161.02599	0.7
161.04539	2.5
163.04039	1.0
165.01936	1.5
166.99951	0.6
167.03477	1.9
168.00665	16.4
169.01439	44.1
170.01770	2.3
173.38689	0.5
179.03563	0.6
179.05602	0.7
185.43480	0.6
193.01442	0.9
196.64536	0.5
211.02489	67.1
212.02777	2.9
241.03542	2.0
249.09816	2.0
250.10016	1.0
267.10843	1.3
268.11169	1.4
271.04565	100.0
272.04950	5.4
275.02048	1.4
300.99875	1.9
307.17520	3.8
308.17932	2.5
309.12070	1.7
310.12033	0.8
313.05646	1.9
331.06674	11.4
332.06921	1.4
381.14038	0.8
429.14026	0.8
437.10867	90.9
437.52835	0.8
438.11264	9.2
438.20340	1.2
439.21884	1.2
440.22067	1.6
451.02100	1.6
451.52487	1.0
456.21457	1.1
500.07440	0.7
500.18961	9.7
501.19934	37.7
525.81519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3063
Annotation	Ganoderic acid beta
Peak:m/z	Relative Intensity
57.03435	0.5
59.01368	0.6
61.98829	0.7
96.96036	0.5
97.02983	0.4
98.20611	0.9
102.01142	0.2
121.06563	0.3
123.08143	0.3
152.29439	0.3
179.85670	0.3
229.60591	0.3
349.25168	0.8
361.28918	0.5
363.26840	0.4
365.28503	4.8
366.28546	0.4
395.29388	0.3
409.27350	0.4
421.27686	0.7
428.87048	0.3
437.30606	15.3
438.30896	2.0
453.30136	5.0
454.30176	0.6
455.31540	0.8
469.29630	2.5
470.30026	0.3
481.29584	5.9
482.30188	0.9
499.30624	100.0
500.30930	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.1
57.36757	0.1
59.01381	0.3
60.16603	0.1
60.99319	0.7
61.98820	0.6
66.80827	0.1
69.08817	0.1
71.01374	0.1
71.25206	0.3
75.00874	0.3
78.95976	0.1
96.77816	0.1
108.65134	0.1
119.08676	0.3
129.89261	0.1
185.25783	0.2
187.97356	0.1
220.76709	0.1
335.33047	0.1
403.26245	0.9
407.25842	0.3
419.29538	5.3
420.29993	0.8
423.29132	0.4
437.30658	2.3
438.31070	0.4
451.28510	0.3
453.30054	0.5
455.31683	0.5
467.27869	0.2
481.29407	0.9
482.30008	0.1
499.30609	100.0
500.30948	16.6
501.44531	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	499.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01718	0.4
57.03440	0.7
59.01382	2.7
61.98832	4.1
69.87886	0.3
71.01376	3.0
71.68512	0.5
73.02955	0.9
74.48838	0.3
83.01403	0.5
83.05042	0.6
85.02965	1.3
87.04539	0.8
89.02459	0.8
93.03472	5.2
95.01391	0.9
95.05035	1.8
96.96036	0.7
101.02483	2.0
113.02479	1.1
123.04597	0.4
127.04034	1.0
134.96388	0.4
136.45111	0.4
139.67715	0.4
155.10829	0.8
187.11363	0.8
197.11823	0.5
289.04285	0.4
309.20731	0.9
337.23849	3.1
338.24399	0.5
374.25995	3.4
375.26596	0.6
389.28485	9.1
390.28839	1.7
391.26044	0.4
406.25113	11.4
407.25244	1.3
407.29810	3.9
408.29980	0.6
425.16959	0.4
463.30515	1.0
499.30594	100.0
500.30884	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	499.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.7
61.98831	4.1
63.70402	0.5
66.71367	0.5
69.53864	3.4
69.54272	1.4
84.90588	0.4
87.19099	0.4
98.19972	1.0
160.84207	0.5
162.12233	0.5
162.83907	0.8
245.76906	0.5
337.23889	0.5
363.26883	0.7
367.57364	0.6
379.30057	0.7
389.28299	0.7
403.26492	1.8
407.29559	3.9
415.94522	0.5
419.29459	7.0
420.29932	1.0
425.30826	0.6
437.30603	2.1
451.28503	0.7
453.30212	0.8
455.31714	1.7
456.32327	0.6
481.30032	1.1
499.30637	100.0
500.31039	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	499.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99314	0.7
61.98808	0.2
62.48724	0.1
69.46941	0.7
69.47371	0.7
75.00880	0.3
101.64354	0.1
119.08698	0.3
210.64046	0.1
220.90028	0.1
224.13617	0.1
379.29965	0.7
391.30194	0.2
399.73242	0.2
403.26227	0.2
407.29706	0.4
419.29547	1.4
423.29068	0.4
425.30734	0.3
437.30670	1.5
453.30307	0.3
455.31650	4.2
456.31940	0.4
499.30621	100.0
500.30991	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98807	0.3
64.97255	0.2
71.14992	0.5
71.15342	0.2
98.20567	0.2
119.08660	0.5
125.79514	0.2
164.82213	0.2
180.72586	0.3
188.70111	0.2
198.24733	0.2
398.80609	0.2
403.26373	2.3
404.26978	0.4
419.29538	6.7
420.29816	1.2
423.29120	0.8
437.30563	3.5
438.30960	1.0
451.28525	0.5
453.30090	0.4
481.29654	0.9
499.30615	100.0
500.30927	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	499.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87080	2.0
57.03452	2.2
58.00589	3.5
59.01377	24.2
61.98830	18.6
62.08739	1.9
69.03449	3.4
70.10253	10.3
71.01385	23.0
71.05032	4.8
72.99301	2.8
73.02944	12.3
75.00877	4.7
85.02959	6.2
87.00879	4.7
89.02455	5.5
90.14124	1.8
99.00900	2.7
101.02466	9.1
111.08175	5.0
113.02438	16.1
115.41680	2.3
125.06094	2.5
127.07674	2.1
127.11293	3.1
130.44092	2.3
161.04530	4.4
255.21133	2.9
263.23843	2.3
273.22107	9.4
277.21713	100.0
278.22040	11.1
291.23285	68.3
292.23660	7.6
301.21738	11.2
301.24753	1.8
302.58029	2.2
310.02182	2.1
319.22818	21.0
331.22784	3.5
349.23862	2.5
355.28732	2.4
357.30099	25.8
409.71866	2.1
455.31662	6.4
499.29807	58.2
500.30276	9.5
527.38062	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	499.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70317	0.8
55.01906	1.0
57.03440	2.2
57.31409	0.7
59.01381	100.0
59.51080	0.7
60.01702	0.8
61.98835	9.5
69.03465	2.1
69.66801	2.6
69.67233	2.7
71.00986	1.1
71.01387	21.7
72.22536	0.7
72.99337	1.2
73.02959	8.4
83.01414	3.2
83.05029	0.7
85.02966	10.5
85.06622	2.0
87.00912	2.0
87.04531	3.0
89.02464	9.2
93.03475	32.9
94.03825	1.4
95.01368	3.8
95.02699	0.7
97.02972	1.9
99.00903	3.1
101.02457	18.1
105.05597	5.4
107.01384	1.3
107.05112	0.8
108.02193	0.9
109.03023	1.8
111.00916	2.4
111.04556	1.0
113.02462	12.2
113.06115	3.5
115.04053	2.6
116.92889	1.5
117.05621	3.5
119.03511	3.7
121.02999	3.0
123.00903	5.5
123.04559	2.2
124.01683	1.7
125.02459	10.4
129.01938	0.8
136.98897	1.1
137.02477	2.2
139.00302	0.9
139.04042	8.1
143.03529	3.2
145.77469	0.7
147.06641	5.2
151.00427	2.1
153.01979	1.4
157.05040	0.8
159.03018	1.3
161.04585	9.5
161.05879	1.3
163.04062	0.8
165.01958	7.1
165.05594	1.1
168.00662	2.2
169.01447	9.4
171.06622	1.0
179.03520	8.4
179.05678	1.1
191.05609	1.0
211.02505	0.9
249.09793	66.7
250.10196	2.4
251.76312	0.7
267.10837	37.1
268.11212	1.7
271.04736	1.7
275.01923	0.7
287.82614	0.8
295.02243	0.8
301.00031	1.1
307.17609	8.4
308.18042	0.9
309.11935	28.4
310.12378	1.4
313.05551	1.2
327.13010	1.0
407.15677	3.1
437.10910	9.4
439.21857	7.2
440.22385	0.7
499.18326	23.5
500.18600	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	499.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.6
61.98833	13.0
69.42172	3.5
71.01389	2.3
71.05016	0.5
73.02975	0.8
83.01389	0.7
85.02959	1.4
86.92070	0.3
89.02461	1.3
95.05032	0.5
96.65336	0.3
97.06591	4.2
99.00946	0.4
99.04521	0.7
101.02444	1.7
109.06632	0.4
111.00916	0.6
111.04575	0.5
113.02469	1.5
121.06629	0.4
123.00921	1.0
123.04575	0.8
124.01697	0.4
125.02476	2.5
135.08182	1.3
136.05292	0.6
137.06114	0.3
137.09752	0.6
139.05220	0.3
139.07681	4.0
149.06120	2.9
150.06885	59.7
151.00449	0.7
151.07216	2.8
153.05594	0.3
153.09338	0.4
155.10796	1.3
157.08722	33.1
158.09053	1.3
161.04639	0.4
161.09735	1.2
163.07668	9.5
164.08446	20.1
165.08812	1.3
167.03589	0.4
168.00656	0.6
169.01456	2.3
169.47772	0.3
170.02003	0.3
176.08391	0.9
177.09177	0.7
178.10048	1.6
179.10793	55.1
180.11121	3.8
183.10341	0.4
211.02579	0.4
217.01402	0.8
220.17033	0.3
245.00984	0.9
246.01715	0.6
246.78229	0.3
247.02609	0.6
260.17862	0.6
262.06674	0.3
274.08105	0.8
275.20093	1.8
278.18634	0.5
304.16824	1.1
307.94662	0.3
318.18381	0.4
319.19150	9.1
320.19595	0.7
322.17868	5.9
323.18121	0.4
336.19427	10.7
336.23508	0.6
337.20187	58.0
338.20505	6.1
347.17050	0.6
351.21695	1.8
379.21222	1.3
439.21719	0.5
455.09561	0.7
455.19165	0.6
455.70639	0.3
481.17166	0.6
499.25424	100.0
500.19638	1.1
500.25943	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	499.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03425	1.4
59.01378	100.0
60.53613	0.9
61.98830	9.4
69.03461	1.0
69.62437	4.1
69.62872	3.7
71.00987	1.2
71.01382	21.9
73.02949	9.5
80.79091	0.8
81.65977	0.8
83.01375	6.2
85.02954	10.5
87.00883	1.7
87.04506	3.1
88.98830	1.1
89.02452	8.5
95.01389	2.9
96.96050	1.0
97.02990	1.8
99.00873	2.7
101.02454	20.8
103.04009	1.0
105.01943	1.3
105.05595	8.9
107.01431	1.1
108.02147	1.1
111.00900	5.7
111.04500	1.1
113.02476	10.5
113.06071	1.5
115.04019	2.8
117.05608	1.8
119.03502	2.8
123.00893	3.4
124.01642	1.9
125.02457	8.1
139.00368	2.0
139.04045	8.6
141.01976	1.1
143.03525	2.7
147.06650	5.8
151.00403	3.8
152.48746	0.9
159.02948	1.9
161.04568	9.4
168.00706	1.7
169.01428	6.4
171.06656	1.0
173.11943	1.4
231.08716	1.3
249.09776	76.7
250.10001	4.4
250.94186	1.2
267.10831	42.2
268.11264	2.7
307.17618	4.2
309.08319	2.0
309.11905	39.4
310.12308	3.6
369.79578	0.9
407.15622	3.2
409.00177	0.8
414.97351	0.9
439.22025	1.2
451.02237	1.5
499.18213	37.3
500.18414	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	499.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03448	1.5
59.01379	100.0
61.98833	9.5
69.03456	1.2
69.62729	2.9
69.63165	2.9
71.01387	21.1
72.99310	0.9
73.02956	9.8
79.39808	0.6
83.01395	4.0
85.02963	9.9
85.06602	1.7
85.75767	0.7
86.03302	0.8
87.00887	1.7
87.04505	3.8
89.02454	11.1
93.03468	36.7
95.01416	1.9
96.96028	0.8
97.02979	2.0
98.08312	0.7
99.00908	2.6
101.02455	18.9
101.03078	1.2
105.05589	5.6
107.01431	1.1
107.77048	0.8
108.02214	1.2
109.03045	1.0
111.00900	1.9
111.04460	0.6
113.02462	10.8
113.06095	3.7
114.44386	0.7
115.04043	3.0
116.29453	0.6
116.92017	0.6
116.92889	2.5
117.05610	3.2
119.03529	2.9
121.02995	3.0
123.00919	3.8
123.04576	3.1
124.01687	2.3
125.02472	10.7
131.03526	1.1
137.02489	1.6
139.00438	1.3
139.04045	8.5
143.03526	2.6
145.02994	0.7
147.06657	5.0
149.02373	0.8
150.03227	0.9
151.00404	2.3
152.01207	1.1
153.01973	2.3
159.03018	1.5
161.04562	11.1
165.01968	7.9
165.05614	0.8
168.00676	2.1
169.01451	9.9
169.02803	1.0
171.06624	1.0
179.03522	7.4
179.05722	1.2
189.07689	0.9
207.03023	1.3
211.02380	1.6
215.85170	0.7
227.40523	0.8
241.34091	0.7
249.09787	62.2
250.10228	2.9
267.10831	36.2
268.11377	1.8
271.04688	1.0
300.99927	1.2
307.17722	4.9
309.08347	1.7
309.11911	28.8
310.12540	1.7
313.05670	2.7
407.15680	2.9
424.61633	0.8
437.10919	17.9
439.21875	4.6
451.02530	1.6
499.18442	17.0
500.18774	2.8
503.60629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	1.0
59.01382	21.3
61.98833	12.8
65.01075	0.7
69.03471	1.4
71.01390	17.2
71.05029	1.5
71.71745	1.0
72.99316	2.4
73.02940	2.5
73.29388	0.8
74.99117	0.9
75.00874	1.1
76.44770	0.7
80.13902	0.8
83.01386	1.6
83.05040	1.0
85.02969	3.2
85.06584	1.8
86.02499	2.5
87.00892	11.7
88.98808	2.4
89.02465	12.1
93.03470	0.9
94.06615	0.8
95.01405	2.8
96.96033	4.4
96.96999	2.0
97.02970	1.5
99.00888	4.3
101.02452	8.2
106.06651	2.1
107.01429	2.0
108.04561	2.5
109.02941	1.2
110.02504	1.2
111.00912	3.4
112.04082	0.8
113.02479	7.4
116.92892	1.0
117.01952	1.1
117.97304	0.9
119.03532	3.2
119.05114	1.1
120.04582	1.4
121.05294	1.3
122.06150	12.3
123.00916	8.1
124.04080	2.1
124.07717	2.7
125.02462	10.4
126.02829	1.1
131.03510	1.9
131.07169	8.4
134.06131	8.7
136.07712	14.6
136.98938	0.8
137.02475	2.9
138.05649	1.5
139.00381	6.2
139.54723	0.8
140.01183	9.9
140.07201	1.2
141.01971	25.5
142.02228	1.4
146.06157	1.6
147.04651	1.1
147.05635	4.3
149.02452	1.1
149.04851	7.2
150.03345	0.8
150.05609	1.3
151.00388	1.9
151.04077	0.9
153.01953	1.5
160.04022	1.5
160.07700	2.3
161.04744	2.5
162.05646	3.4
163.06393	1.8
164.07190	24.7
165.99106	1.8
166.05130	2.3
166.99879	10.7
167.03479	1.6
168.00658	1.5
168.06693	3.5
169.01437	13.8
170.01854	0.9
171.01941	1.1
172.06430	1.9
173.04628	1.0
174.05608	1.5
174.09271	2.5
177.10330	11.3
179.05602	1.6
183.02995	1.3
184.00160	12.8
184.07687	1.1
185.00897	2.0
187.08803	2.5
188.07213	1.2
189.06688	3.1
191.03517	0.9
191.11937	0.9
192.06795	0.9
194.99312	5.6
197.07077	1.5
199.08858	1.6
200.10905	1.0
201.10335	19.8
201.12097	1.6
202.08788	5.6
202.10516	1.6
203.11902	1.1
206.04671	0.8
206.08237	1.3
211.02402	3.8
211.08792	2.7
213.06731	1.8
213.10312	1.9
214.07526	0.9
215.11935	2.8
216.10313	1.1
217.09871	1.4
218.10454	1.8
219.11394	20.7
220.09785	19.0
220.11467	1.0
221.09984	0.9
225.06851	1.2
225.10336	3.3
227.08260	7.8
228.08867	1.3
229.01608	0.8
229.09805	22.8
230.10136	1.5
239.08286	2.3
240.08966	6.9
241.09827	7.7
242.06998	1.2
242.10616	6.5
243.07680	2.7
243.11353	17.1
244.11742	1.2
245.09346	4.7
247.10876	10.5
252.08980	5.2
253.09798	16.7
254.10197	2.2
255.07828	2.5
255.11359	4.9
256.08350	1.1
257.09314	6.6
259.10849	10.5
260.08008	4.4
260.10913	1.1
261.08774	3.1
265.09821	3.0
269.09323	1.1
270.10083	15.4
271.04700	7.2
271.10858	52.5
272.11322	5.9
273.09268	4.4
273.12167	5.1
277.11926	43.7
278.12222	3.4
282.09961	1.1
283.10867	21.0
284.11063	1.2
289.11957	3.9
300.11160	13.9
300.99710	1.4
301.11920	49.2
302.12106	4.2
303.07254	6.9
313.05652	2.2
318.12360	2.1
319.12915	7.3
329.05267	1.9
331.06708	2.4
341.10974	2.9
347.06253	3.6
381.16833	5.6
382.15009	11.3
383.15189	1.2
399.17776	2.9
423.14087	6.3
424.14282	1.1
433.16183	22.3
434.16275	2.2
437.07181	1.0
439.18118	1.4
445.16321	2.2
451.17398	4.0
455.08264	16.5
456.08487	1.7
461.12521	4.1
463.17233	49.4
464.17728	5.0
467.13254	3.4
469.18707	1.5
481.12363	3.5
481.18280	52.7
482.18683	6.9
490.19540	1.0
499.07828	20.0
499.19363	100.0
500.07654	2.4
500.19736	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	498.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82450	0.2
59.01379	0.7
59.99889	0.2
61.40923	0.1
61.98833	100.0
69.56765	0.9
69.57180	0.4
71.01392	0.5
96.96037	0.2
98.19915	0.4
101.02470	0.4
105.84879	0.1
113.02479	0.2
123.08208	0.2
128.03572	0.2
143.04657	0.4
171.10365	0.3
183.14001	0.5
204.87239	0.2
272.08832	0.2
306.07608	0.2
438.23969	0.2
454.11627	0.4
498.28061	0.4
499.29059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.9
59.34229	0.7
61.98826	5.5
67.01901	1.4
69.03450	1.6
69.67344	5.9
71.01392	6.1
71.05026	0.9
72.99304	0.8
73.02943	1.4
73.23270	0.6
73.84753	0.7
76.74554	0.8
77.57877	0.6
79.01906	0.7
85.02958	2.2
85.06599	1.3
87.00877	3.1
89.02445	4.0
90.56882	0.7
93.03474	0.8
95.01399	6.6
96.04575	1.8
96.96026	3.3
96.96957	1.3
99.00915	1.2
101.02461	3.7
107.01406	6.7
108.04568	2.8
109.02927	0.9
110.00160	1.0
111.00904	8.0
113.02486	3.9
115.03962	0.7
117.01929	1.0
119.03528	1.0
122.06084	1.1
123.00899	20.7
124.07696	6.0
125.02465	20.6
125.94737	0.8
126.02763	1.0
127.00381	0.7
131.03517	1.0
131.07144	7.2
134.06136	1.8
136.07697	8.2
137.02477	3.5
139.00392	23.8
139.03902	0.7
140.01181	47.4
141.01962	99.7
142.02278	2.2
147.04649	1.0
150.03284	0.9
151.00397	5.0
152.01122	0.7
153.01924	2.3
154.02716	0.8
162.20216	0.7
164.07185	6.1
165.01953	1.8
165.99101	6.2
166.99883	41.4
167.03516	1.6
168.00674	4.2
168.06714	7.0
169.01439	28.3
170.01854	0.8
177.02011	0.7
179.03600	0.8
179.05585	0.9
183.02995	2.8
184.00150	62.2
185.00902	6.0
193.98471	3.6
194.99359	25.1
195.00705	0.6
195.05020	0.8
202.08899	1.2
209.00864	1.2
211.02513	9.1
220.07843	1.2
220.09805	16.3
221.04683	0.8
229.09924	1.1
230.52612	0.8
237.00499	1.3
242.10686	1.0
243.11504	1.3
257.13077	1.8
271.04572	18.5
271.10858	3.1
277.11945	15.0
283.11172	0.9
301.11951	4.3
303.07248	35.2
304.07599	1.9
313.05627	8.0
329.05066	6.6
331.06635	4.1
341.10849	2.4
347.06195	13.4
382.15063	10.3
433.16153	1.8
437.07339	0.9
455.08292	75.9
456.08630	4.9
463.17041	2.5
481.06094	4.2
481.18164	2.9
499.07272	100.0
499.18289	7.0
500.07657	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	497.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65899	0.7
57.03444	4.0
59.01371	3.7
61.98836	12.2
69.03459	0.7
71.01400	1.2
80.02699	2.3
80.52357	0.7
81.03476	1.9
83.01386	1.2
83.05034	7.8
84.02184	1.0
95.05045	2.5
96.96021	1.6
97.06597	8.4
99.09396	0.7
109.06644	0.9
115.89010	0.7
116.90195	0.7
117.01266	0.6
125.09711	1.4
133.10278	1.0
135.08145	1.6
149.09760	1.0
151.11307	44.8
152.11642	2.2
163.11290	4.2
164.29721	0.7
165.12888	2.8
165.71193	0.6
169.12357	100.0
170.12701	4.9
191.10738	1.3
195.10275	8.3
197.11790	1.0
205.75230	0.7
209.11836	93.2
210.12170	6.4
211.13394	3.1
213.11327	24.5
226.68030	0.9
227.12885	18.8
269.13962	2.6
287.14996	26.5
288.15198	1.6
337.25717	0.8
379.24609	1.3
453.28448	1.1
461.29108	1.2
479.26602	3.3
497.27570	46.7
498.28058	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	498.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47943	0.4
59.01385	3.3
61.98839	5.2
69.76938	0.4
69.77279	2.8
71.01382	4.3
72.99291	0.6
79.01889	0.9
85.02947	1.3
87.00882	0.6
89.02450	2.1
95.01388	1.0
97.02920	0.5
101.02473	2.9
107.01418	3.0
111.00936	0.8
113.02461	1.5
113.84761	0.4
119.03553	0.8
121.05065	1.0
123.00911	10.8
124.01723	0.6
125.02463	14.3
126.91145	0.3
127.00378	0.6
139.00417	3.0
140.01169	1.4
141.01915	1.3
145.59088	0.4
150.99179	0.5
151.00381	8.0
151.01532	0.6
161.04556	0.4
163.04053	0.7
168.00613	2.1
169.01454	21.7
170.01764	1.1
211.02470	3.0
232.17456	0.4
237.80029	0.4
253.03531	0.5
271.04630	7.0
275.91354	0.3
312.64233	0.4
313.05667	2.8
325.97232	0.4
432.73462	0.4
435.11441	100.0
436.11783	9.5
516.95294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01250	0.2
57.03439	0.3
59.01383	1.5
60.23845	0.2
60.29283	0.2
61.98834	100.0
63.99269	0.2
69.44196	2.4
71.01390	0.8
73.02973	0.5
73.79288	0.2
80.27539	0.2
81.03469	0.5
83.01413	0.5
83.94102	0.2
85.02954	0.5
87.00900	0.6
88.01225	0.2
89.02457	0.5
91.12961	0.2
93.03485	0.5
95.01386	0.2
97.06599	0.7
99.00909	0.3
101.02466	0.6
108.02233	0.2
109.02975	0.3
110.02517	0.2
111.00917	0.9
113.02512	0.5
117.64160	0.2
119.05074	0.6
123.00901	0.4
123.04533	2.0
125.02438	1.8
135.04475	0.2
137.02440	0.4
137.06116	0.2
139.07703	0.9
149.02371	0.2
149.06140	0.6
150.06889	12.3
151.00388	0.4
151.07693	0.3
153.02010	0.4
155.10828	0.3
157.08733	5.7
161.09796	0.3
163.07678	2.3
164.08437	3.6
167.03522	5.2
168.00690	0.3
169.01436	0.9
175.38730	0.2
176.08556	0.3
178.09991	0.5
179.03566	0.5
179.10799	11.1
213.14989	0.8
214.15419	0.3
243.12413	0.3
245.00957	0.3
247.13780	0.6
248.14163	0.8
249.06178	0.3
253.10013	0.4
268.12241	0.3
273.07678	9.2
274.08081	0.6
275.20297	0.5
285.12585	0.3
319.19159	1.8
322.17859	1.2
336.19421	2.6
337.20206	12.3
351.22058	0.3
362.19217	0.2
410.20923	0.3
435.13138	2.0
436.13306	0.2
436.19122	0.3
454.19995	1.1
455.10547	0.2
498.20178	2.3
498.28558	0.6
499.18549	1.4
499.25470	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	497.1666
Annotation	Globulusin B
Peak:m/z	Relative Intensity
50.12953	0.3
57.03452	0.4
58.00592	0.4
59.01386	2.2
59.75835	0.3
61.98832	12.4
66.00861	0.3
69.03465	3.0
69.83130	2.3
71.01390	1.5
72.99339	0.5
73.02950	0.6
74.99126	0.4
80.96523	0.3
81.03460	0.7
83.01383	1.8
85.02961	0.7
87.00889	1.3
88.98803	0.5
89.02451	0.8
93.03503	0.4
95.01402	1.7
96.96033	0.4
97.02985	2.2
101.02465	1.1
107.01407	1.1
108.02177	1.2
109.02975	1.1
111.00851	0.3
113.02447	0.7
113.06001	0.4
119.05028	0.4
121.02923	0.4
122.05006	0.3
123.00903	6.2
123.04543	0.4
124.01685	21.3
125.02463	50.9
126.02785	1.0
135.04579	0.7
136.05301	0.4
137.02470	2.2
139.00432	0.3
139.11292	0.4
143.10797	0.9
147.04501	0.4
149.02440	0.6
149.99606	28.5
151.00407	3.6
151.04005	0.6
152.01170	0.9
153.01942	0.7
155.10782	0.3
163.04030	0.4
165.01973	0.3
166.99899	0.4
167.03543	1.0
168.00659	55.2
168.49013	0.3
169.01439	10.5
173.04567	0.3
174.71286	0.3
179.03540	0.4
179.63518	0.3
183.10310	0.8
185.12038	0.3
191.03511	0.4
199.09811	0.3
211.02509	0.9
261.07654	2.4
271.04581	1.4
313.05634	1.9
331.06766	0.4
497.16541	100.0
497.28006	3.5
498.16940	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	497.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.7
57.03449	3.6
57.71241	0.4
58.00593	0.8
59.01380	72.1
61.98835	5.7
69.03471	0.8
69.47399	4.3
71.01385	37.7
72.99317	2.6
73.02951	15.9
75.00873	0.7
83.01395	9.1
83.01859	0.7
85.02959	21.2
86.00130	0.9
86.03292	0.4
87.00890	1.6
89.02456	7.5
95.01419	2.3
97.02966	1.7
99.00903	6.4
99.04492	0.5
101.02455	44.6
102.02821	0.7
107.01398	0.4
111.00919	1.8
113.02467	15.8
114.02786	0.7
119.03493	0.5
121.06601	0.5
123.00871	0.4
123.42351	0.4
125.02460	1.5
129.01935	0.7
131.03522	39.9
132.03870	0.8
139.34761	0.4
141.12929	0.6
143.03508	1.4
149.04572	1.6
159.03000	2.7
161.04581	9.3
205.03558	0.5
213.14946	0.4
233.06595	1.0
293.08740	0.5
305.19693	100.0
306.20078	6.9
321.14114	0.4
335.14590	0.4
335.22339	0.8
349.18735	1.1
437.23920	61.0
438.24271	5.1
497.18442	0.8
497.26923	1.3
498.27161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1664
Annotation	Eucalmaidin B
Peak:m/z	Relative Intensity
53.48047	0.4
54.82669	0.5
57.03449	0.7
59.01114	0.7
59.01379	7.1
61.98840	5.8
63.27033	0.5
69.03484	0.5
69.48479	4.6
71.01392	5.0
73.02944	1.8
74.79814	0.5
80.36411	0.4
81.03469	1.2
83.01395	0.8
85.02975	3.0
85.03409	0.6
87.04520	2.0
89.02451	4.3
95.01384	1.7
97.02966	0.7
99.00880	0.5
101.02441	2.0
108.02191	42.1
109.02975	31.1
111.08165	0.6
113.02440	1.3
117.03692	0.5
119.39897	0.4
121.02935	0.8
123.00904	2.3
123.04486	0.8
124.01676	1.0
125.02486	6.8
129.24965	0.5
131.03508	1.8
135.04486	0.5
137.09749	3.2
143.10797	18.7
149.04579	1.3
149.99602	2.4
151.00446	0.6
151.04034	0.8
152.01173	53.3
153.01973	21.2
154.02292	0.6
155.10808	17.0
156.11047	0.8
163.03989	1.0
168.00648	3.6
169.01411	1.6
169.12314	0.7
179.10786	1.3
181.08710	0.9
183.29970	0.6
191.05603	0.5
191.10855	0.6
193.12219	0.5
195.10419	0.7
199.09802	3.2
223.09625	0.6
241.10773	1.1
255.11630	0.7
275.16379	0.6
283.11725	0.9
293.08795	3.1
297.06326	0.5
365.94592	0.6
375.44394	0.5
437.20334	1.3
453.17590	3.3
454.17459	0.5
479.15500	2.3
497.16586	100.0
498.16919	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
60.14709	0.2
61.98828	0.7
67.01883	0.3
69.03473	0.2
69.58080	1.4
71.01392	1.6
73.02934	0.3
74.42632	0.2
75.89213	0.2
79.01916	0.2
83.01395	0.2
85.02968	0.7
85.06605	0.3
87.00891	0.2
89.02469	0.6
95.01412	0.5
97.02940	0.3
99.00895	0.3
101.02460	0.9
107.01414	2.3
109.02979	0.2
111.00909	1.8
113.02477	0.7
120.99678	0.4
123.00906	2.4
124.01661	1.8
125.02471	6.8
127.00396	0.5
136.98802	1.0
137.02495	0.2
138.03181	0.2
139.00391	2.3
139.04063	0.5
140.01190	2.4
141.01997	0.2
151.00389	1.0
153.01898	0.4
154.99857	0.3
155.10825	0.3
157.08705	0.5
161.04654	0.3
166.99875	2.2
167.03426	0.2
168.00677	6.0
169.01453	7.8
181.01547	0.2
182.02238	6.7
183.03006	100.0
184.03342	4.2
193.01474	0.3
194.99339	0.9
195.03177	0.2
210.01736	0.4
211.02504	0.9
217.10933	0.2
225.04088	1.1
249.66380	0.2
267.47928	0.2
271.04517	0.4
279.11108	0.2
285.06024	0.3
287.89407	0.2
305.16141	0.6
307.10178	0.2
313.05640	2.5
325.11005	0.2
326.76929	0.2
327.07147	0.3
345.08282	44.9
346.08633	3.1
367.12314	0.3
437.20148	0.6
465.06705	2.6
497.09354	27.8
497.22232	1.1
498.09747	3.3
498.16846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22081	0.3
59.01378	2.1
61.45339	0.4
61.98829	100.0
64.74426	0.4
65.53447	0.4
69.53927	1.4
69.54358	1.4
71.01389	1.5
73.02951	0.8
78.95895	0.4
85.02939	0.9
85.23490	0.3
89.02474	0.7
95.05003	0.4
96.08164	0.4
97.01724	0.4
99.00897	0.6
101.02454	0.9
108.02177	4.2
109.02953	1.7
113.02424	0.6
119.05053	0.3
122.06165	1.2
123.00874	0.4
123.04533	0.6
125.02448	1.6
127.07587	0.3
129.43907	0.4
143.76454	0.3
144.04579	3.6
146.06140	0.6
147.03195	0.4
150.05670	0.7
151.00372	0.5
152.01187	2.7
153.01981	1.0
153.05681	0.4
160.04062	1.0
161.04822	1.9
162.05626	1.2
168.37762	0.3
169.01486	1.2
172.04059	3.0
173.04898	2.1
174.05621	1.0
176.03539	0.5
188.03540	0.8
190.05116	0.6
203.05913	1.7
204.06639	5.5
205.03830	0.6
211.08717	0.6
212.05907	4.3
212.09357	0.4
213.10301	0.4
223.08820	0.6
225.06746	1.3
225.10210	0.5
227.12047	0.6
236.09546	0.7
237.10287	4.4
238.08821	0.6
239.08209	4.5
240.09018	1.5
241.09798	1.2
251.04500	0.9
251.08142	0.5
251.11830	2.5
252.05258	0.5
252.12651	3.7
253.06151	4.5
253.09740	4.1
253.12384	0.6
254.06557	0.5
254.10547	1.3
255.11407	1.5
264.09030	0.4
265.06155	0.7
266.06918	2.0
267.07709	7.5
267.11328	1.9
268.08640	3.6
268.12067	3.5
269.12857	3.2
278.10510	0.5
279.07748	0.9
279.11111	0.5
280.08435	1.8
281.09293	11.7
282.09653	1.4
283.11050	0.5
284.11713	0.6
285.08902	1.9
294.09988	0.6
295.10837	5.7
296.11652	15.2
297.12137	2.5
298.09552	0.9
299.10336	2.1
300.07669	0.5
300.10931	1.0
302.20135	0.4
304.18530	0.9
310.09628	0.4
311.10440	0.8
313.11847	3.1
322.09525	1.2
323.09979	0.4
327.13452	2.3
328.10632	6.3
328.14285	1.7
329.11063	0.6
340.10580	1.8
360.13327	1.1
366.31616	0.4
372.13382	1.0
376.20209	1.2
390.14462	0.4
404.16266	0.8
415.18817	1.7
415.68842	1.0
418.17703	1.3
420.19269	14.7
421.19711	2.2
436.23022	0.8
446.17300	2.3
452.21780	2.6
464.18250	15.7
465.18585	1.8
478.19904	1.9
496.20853	87.0
497.21033	21.0
497.28564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34684	0.3
54.94950	0.3
55.01867	0.3
56.16957	0.3
59.01384	5.1
60.99303	1.4
61.98832	10.5
67.01882	0.4
68.54111	0.3
69.03480	0.5
69.40365	3.4
71.01385	5.7
72.99310	2.6
73.02949	1.7
75.00889	0.4
79.01886	0.4
83.01407	1.1
85.02956	2.5
87.00904	1.7
87.04520	0.5
88.98817	9.3
89.02448	4.8
89.99153	0.8
90.01969	1.3
91.00368	0.7
95.01421	1.9
95.95248	0.3
97.02966	0.4
99.00875	0.8
101.02455	3.4
105.01945	1.0
107.01421	2.4
109.02956	1.0
111.00890	1.8
113.02457	2.4
119.03506	0.6
119.05069	0.5
123.00900	11.8
124.01682	0.9
125.02467	15.8
127.00420	0.8
128.03632	0.5
132.22739	0.4
135.04544	0.8
136.98862	0.8
137.02489	1.0
139.00392	3.9
139.04030	0.7
140.01196	1.7
141.01968	1.6
143.03531	0.4
147.04518	0.4
149.06085	0.4
151.00397	9.0
151.04050	0.8
153.01923	0.9
159.02982	0.4
161.04567	1.1
163.04030	0.7
165.01917	0.6
165.04091	2.0
165.05431	0.5
166.05217	0.4
166.99843	0.4
167.03569	0.4
168.00650	3.5
169.01448	23.2
170.01831	0.6
179.05675	0.4
181.05057	0.7
183.02988	0.7
183.06509	0.4
191.03444	0.4
211.02486	2.0
239.76549	0.3
253.03464	0.5
271.04639	4.3
271.10721	0.4
272.04993	0.5
272.11151	0.6
293.60229	0.4
307.10580	0.6
313.05716	3.5
331.06720	0.6
401.30182	0.4
433.13501	100.0
434.13852	6.9
437.16418	0.8
479.11835	1.1
496.10803	0.7
496.17435	2.1
497.12076	0.8
497.17523	1.0
516.71692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
61.98834	10.3
65.51060	0.3
66.10011	0.3
71.01379	1.4
71.71916	0.7
72.99308	0.4
73.02959	0.8
80.58339	0.3
83.01431	0.4
85.02975	0.8
89.02457	0.4
95.01422	0.4
96.08196	0.4
101.02441	1.1
107.01316	0.3
108.02188	5.3
109.02991	4.7
110.03284	0.7
111.00911	0.6
113.02466	1.0
121.03040	0.4
122.06139	1.2
123.00906	1.9
125.02473	2.3
126.72317	0.3
137.02489	0.4
137.28046	0.3
138.09251	0.5
139.00388	0.8
140.01074	0.4
144.04564	5.0
145.02983	0.3
146.06180	0.8
147.03195	0.6
150.05638	0.9
151.00406	1.8
152.01164	4.1
153.01982	3.0
160.04044	1.8
161.04793	2.0
162.05643	2.1
162.10287	0.3
168.00653	0.8
169.01443	2.7
172.04045	2.9
173.04852	2.2
174.05568	1.4
176.03485	0.5
176.07193	0.3
179.03540	0.3
187.06366	0.5
188.03554	1.4
189.04240	0.8
190.05171	0.9
198.55229	0.3
199.13441	0.3
200.09993	0.4
202.05116	0.4
203.05894	3.1
204.06660	6.8
205.03699	0.6
205.07076	0.5
211.08717	0.4
212.05894	4.1
212.09592	0.6
213.10251	0.4
223.08661	0.3
224.07224	0.5
225.06691	1.7
225.10269	0.5
226.07399	0.8
227.08350	0.4
227.11955	1.1
236.09560	0.9
237.10315	4.8
238.08891	0.4
238.10899	0.5
239.08200	4.8
240.08998	2.1
241.09654	1.7
251.04689	0.5
251.11835	2.8
252.10280	0.5
252.12654	4.1
253.06184	5.0
253.09785	4.6
254.10486	1.7
255.11212	1.7
265.06207	0.4
266.06885	2.3
267.07733	7.4
267.11349	2.0
268.08475	4.4
268.12070	3.1
269.12943	3.0
278.10617	0.5
279.07800	1.7
279.11179	0.5
280.08591	2.1
281.09290	13.3
282.09772	1.1
283.10675	0.4
284.11649	1.1
285.08920	1.7
294.10226	0.8
295.10889	5.7
296.11639	16.2
297.12067	2.1
298.09543	0.5
299.10349	3.1
300.11090	1.5
303.18219	0.4
307.07227	0.4
311.10391	1.1
312.11081	0.6
313.11856	3.2
322.09698	0.6
327.13556	2.2
328.10629	6.1
328.14346	2.0
329.11038	0.5
332.13919	0.6
340.10696	2.2
346.15683	0.4
360.13223	1.2
364.24243	0.4
372.13260	1.2
376.12918	0.5
376.20337	1.5
390.14645	0.5
393.19214	0.4
404.16461	0.4
415.18823	0.6
418.17761	1.3
420.19263	20.5
421.19702	2.8
429.18756	0.5
446.16925	2.1
452.21930	3.7
453.21869	0.5
464.18274	21.0
465.18671	2.8
478.19711	2.3
479.20422	0.6
496.20871	100.0
497.20676	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01381	19.6
60.99305	0.4
61.98833	10.1
70.94784	0.4
71.01393	5.0
71.05020	2.1
71.28870	0.9
73.02959	1.9
76.09776	0.3
78.95905	0.7
83.01398	0.5
83.05045	4.4
85.02962	1.3
85.06622	0.4
85.99914	0.4
89.02470	1.1
90.94824	0.4
92.74480	0.4
93.03448	0.5
96.47269	0.4
96.96024	0.4
97.06608	0.6
101.02483	2.0
108.02153	0.4
109.02971	1.6
109.06626	1.2
111.08204	1.2
113.02466	1.5
121.06611	4.2
123.04562	0.7
123.08183	0.5
125.06089	0.9
127.04017	0.5
135.08218	0.5
137.02492	1.0
137.09709	0.9
139.11325	1.3
143.07173	1.6
149.06128	1.0
149.09834	0.5
150.06879	5.6
151.04007	0.7
153.02000	0.7
155.07161	32.5
156.07480	1.2
157.08795	0.5
161.04561	1.0
164.08446	0.8
167.03494	1.1
179.10808	1.4
195.13933	0.8
201.09189	0.4
209.11723	0.5
211.09726	0.5
229.10851	1.4
245.15430	2.3
259.16989	2.3
261.18570	14.7
262.18964	1.3
266.58749	0.4
275.16669	0.7
275.20285	1.4
277.21719	14.3
278.22089	1.1
285.82169	0.4
295.22754	2.1
305.17484	0.6
305.24985	0.6
307.22858	0.5
315.16092	0.5
339.21790	1.9
349.24051	0.7
433.29654	8.1
434.30106	1.3
435.22571	1.2
435.29688	4.5
451.31232	0.6
477.28827	3.2
480.34775	1.2
495.29752	100.0
495.36557	6.2
496.05939	0.4
496.19434	0.7
496.30057	16.2
496.36765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53633	0.7
55.60129	0.7
57.03443	1.7
58.00594	2.4
59.01377	100.0
60.01729	1.4
61.98826	5.6
67.34074	0.6
71.01385	44.0
72.01744	1.2
72.99316	3.0
73.02951	4.1
78.95896	0.8
83.01390	2.5
85.02956	7.9
87.00903	2.4
89.02451	57.6
90.02808	0.9
95.01392	1.8
95.60143	0.6
98.19679	0.6
99.00890	4.4
101.02454	30.3
113.02466	13.7
116.40646	0.6
116.83550	0.7
119.03516	13.4
119.04984	0.7
123.04561	1.1
125.02467	1.6
131.03522	50.5
132.03867	1.9
135.04585	0.9
143.03519	4.0
149.04572	34.9
152.99586	1.0
161.04562	5.5
163.00107	0.6
168.01987	0.7
179.05614	15.1
182.48196	0.7
191.05620	20.5
192.06015	0.7
221.06656	0.8
251.07703	1.8
275.07758	0.9
293.20975	0.8
303.18130	5.7
311.10010	1.3
363.23767	0.9
435.22418	15.4
435.29575	2.6
436.23178	1.2
485.88086	0.8
495.19296	1.1
495.24762	1.0
495.30231	2.7
510.12875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.9
61.98835	6.1
62.26732	0.5
67.84496	0.5
69.45185	3.2
69.45610	2.2
71.05004	0.6
83.05045	0.9
97.06598	1.4
111.08170	1.2
155.10750	0.6
165.12875	9.2
166.13219	0.6
183.13916	100.0
184.14279	4.9
193.12321	2.7
209.11844	7.6
211.13408	78.7
212.13768	4.3
227.00012	0.7
227.12889	7.2
279.19540	1.3
280.19940	1.5
283.15469	2.3
301.16562	8.1
325.51260	0.6
333.28131	0.8
377.26920	1.9
451.30301	1.1
495.29501	20.2
496.29977	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2962
Annotation	3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide
Peak:m/z	Relative Intensity
57.03442	0.3
58.85010	0.3
59.01381	7.3
59.98522	0.4
61.98829	4.0
71.01382	2.8
71.05023	0.9
73.02954	1.0
83.05042	2.1
85.02960	1.5
85.06599	1.2
89.02457	0.4
91.08853	0.3
96.96008	0.3
97.06596	0.5
101.02436	0.4
109.06627	0.4
109.83709	0.3
111.08150	0.4
120.63052	0.3
123.08165	2.1
125.06105	1.5
127.07678	2.5
128.79768	0.3
137.02417	0.3
139.07674	0.6
143.07138	1.1
150.06879	0.8
155.07166	15.3
156.07494	0.6
157.08745	1.4
161.04510	0.4
165.09212	0.3
169.08710	1.0
171.06677	0.9
183.10246	0.4
189.12810	0.3
205.15926	0.3
211.09869	1.4
227.07127	0.3
227.09236	0.4
229.10834	3.4
259.17007	3.7
260.17358	0.4
261.18579	14.1
262.18814	1.3
265.18094	0.6
277.21695	5.9
278.22119	0.7
279.19659	0.9
295.22806	7.9
296.23160	1.0
305.17526	2.9
305.20789	0.4
305.24997	0.4
321.20627	0.3
323.22305	2.7
339.21802	8.1
340.22208	1.0
407.27927	0.4
415.28568	0.3
433.29535	1.1
435.29663	0.5
450.36038	0.3
477.28479	1.1
479.14612	0.3
495.29639	100.0
496.29996	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	495.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
58.53650	1.0
59.01377	25.0
61.98827	1.9
63.37712	1.6
68.14417	1.0
69.79444	4.2
69.79855	3.4
71.01382	16.7
72.99316	1.6
73.02952	1.2
85.02969	2.6
87.00895	2.8
89.02454	21.7
89.08338	1.2
95.01385	1.2
95.34126	1.2
96.96007	1.3
98.20540	2.1
101.02446	3.7
108.02190	30.7
109.02989	13.3
113.02485	3.9
120.99664	8.1
121.02982	12.0
122.03761	5.7
123.00900	4.3
123.04554	3.2
124.01645	1.9
125.02473	2.5
131.03561	2.8
135.04541	7.9
137.02438	2.9
137.06166	1.3
139.00356	2.8
139.04004	2.0
139.08092	1.2
143.22545	1.0
146.03763	65.1
147.04095	3.3
149.04568	3.8
151.00343	1.7
152.01189	25.3
153.02002	8.7
161.06113	63.6
162.03261	4.7
162.06438	3.1
165.01930	1.2
165.05559	7.8
166.06378	28.3
167.07166	71.6
168.00574	1.7
168.07506	4.6
169.01382	1.4
177.05559	2.4
179.07039	1.5
182.02258	1.5
183.02963	3.3
193.08723	5.0
195.06676	1.6
197.04549	2.6
221.08212	23.7
222.08470	1.3
258.48581	1.2
283.09796	1.3
301.02777	1.4
312.10019	3.5
313.12601	1.1
319.03751	1.7
327.12384	100.0
328.12744	10.0
341.08780	1.6
344.12601	2.5
345.13306	2.9
359.15082	3.2
435.25882	1.5
495.11395	36.0
495.18732	2.0
496.12018	5.2
517.10461	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	495.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
58.00600	1.0
59.01080	1.2
59.01381	21.7
61.98832	26.8
69.03452	0.7
69.14835	0.6
71.01388	18.0
71.02866	1.6
71.03193	0.7
72.99315	2.0
73.02953	7.4
74.99108	1.1
75.00874	1.3
81.03473	1.6
83.01379	1.8
85.02971	5.8
87.00886	4.9
87.04523	3.0
88.98804	2.5
89.02452	12.2
91.01926	0.6
93.03452	1.0
95.01398	1.7
97.02962	0.8
99.00913	1.5
99.04565	1.0
101.02455	10.2
106.06609	0.6
107.01408	0.6
108.02199	12.5
109.02970	45.6
110.03307	1.5
111.00826	0.8
113.02455	6.0
115.04074	0.8
119.03519	4.1
120.99637	2.2
121.02966	4.0
123.00909	2.7
123.04579	1.5
124.01661	1.4
125.02470	4.7
127.00406	0.7
133.05107	0.8
135.00937	0.8
135.04575	0.9
135.08195	1.4
135.98376	1.8
136.99074	0.9
137.02487	6.9
137.09744	9.4
139.00403	0.7
139.04039	1.7
139.11363	0.6
149.02486	1.5
150.03218	1.4
151.00372	1.9
151.04016	1.3
151.06194	4.6
151.11243	0.7
152.01184	15.6
152.71385	0.6
153.01961	39.5
153.05522	2.8
154.02309	1.4
155.10799	68.7
156.11142	3.8
161.02399	1.5
161.04536	2.2
161.05937	0.8
163.03984	0.7
165.01935	2.4
165.05597	1.0
166.02731	2.4
166.99835	1.5
167.03391	1.7
168.00671	2.5
168.03316	0.6
169.01468	4.0
169.12346	7.8
177.01955	0.8
179.03517	1.3
179.05630	1.0
179.10802	1.3
180.04298	2.1
181.05089	3.0
181.08682	2.1
182.02200	1.7
182.05486	1.3
183.03008	2.6
185.11858	0.7
187.13489	0.8
189.05392	0.6
193.08662	0.7
195.06679	2.9
197.04541	4.6
197.11818	2.5
199.09784	22.3
200.10258	0.7
208.00154	0.7
211.06107	1.1
212.06505	0.6
213.11328	1.1
215.12900	0.7
216.06566	0.6
225.07693	2.3
241.10782	7.0
259.11954	0.6
271.06308	0.6
271.11047	0.8
272.09290	3.1
273.17075	0.7
295.10593	0.7
297.06174	0.6
297.11917	6.3
301.12808	0.6
309.90405	0.7
313.05673	1.7
313.11337	1.4
315.07120	3.8
327.07236	1.8
342.10986	1.4
344.12650	0.7
357.13641	1.5
359.15179	0.7
389.10803	1.8
405.15637	1.3
407.17233	0.7
432.14682	0.7
433.11444	1.7
435.25861	2.2
451.08688	0.8
459.19321	0.9
477.13086	0.7
495.11444	51.1
495.20770	100.0
495.32111	3.3
496.11905	6.3
496.21140	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	495.1508
Annotation	Aquaticoside B
Peak:m/z	Relative Intensity
50.44941	0.6
57.03459	0.6
58.00586	0.9
59.01391	4.9
61.98833	4.7
64.28505	0.7
67.01904	1.4
67.64091	0.6
69.88278	0.6
71.00488	1.9
71.01388	7.9
72.99323	0.7
73.02955	2.3
76.20675	0.6
78.61552	0.6
82.00562	0.8
83.01411	2.4
85.02975	3.7
87.00894	2.3
89.02446	1.6
93.03472	21.9
94.03821	0.9
95.01373	3.6
96.99348	0.9
97.02947	1.3
97.32548	0.6
99.00946	0.9
101.02461	6.6
107.01401	5.1
108.02197	3.5
109.02972	2.2
111.00919	2.8
113.02473	3.3
119.00074	0.7
119.05058	0.7
121.02983	2.1
122.03796	1.1
123.00898	10.3
123.04571	2.8
124.01694	2.4
125.02467	26.1
127.00407	0.9
131.03548	1.0
134.03716	0.7
135.04564	1.1
136.01688	2.0
136.05330	9.0
136.98854	1.4
137.02469	51.2
138.02806	1.7
139.00392	3.3
139.04071	1.2
140.01247	3.5
141.01996	1.0
145.03012	1.2
147.04555	0.8
148.05299	0.7
149.02467	8.9
150.03247	39.3
150.06889	2.8
151.00400	6.2
151.04044	10.3
151.07648	2.7
152.01192	2.5
153.01994	1.6
161.02443	1.9
161.04578	1.1
162.03317	2.3
162.06909	2.7
163.04071	1.8
163.07706	2.7
164.04849	3.7
165.05586	22.7
166.06010	1.3
167.03575	1.0
167.07103	0.7
168.00665	7.2
169.01450	34.0
170.01781	1.4
177.05646	0.7
177.29018	0.6
179.03578	3.0
180.04367	1.3
180.07938	8.3
180.09404	0.8
181.08731	4.9
183.03064	1.5
187.09740	0.7
191.03596	1.0
195.06602	5.4
197.11958	0.6
199.78879	0.7
209.04539	0.9
211.02496	1.0
221.04657	1.6
225.16794	0.7
241.03555	1.2
281.06668	42.0
282.07037	2.5
297.06259	2.2
313.05704	6.6
341.08826	0.7
353.09079	0.8
394.13101	0.8
447.12967	55.4
448.13245	9.2
459.13571	0.8
477.13968	3.0
495.15189	100.0
496.15607	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
58.00588	1.0
59.01081	1.2
59.01382	25.3
60.01737	1.1
61.98834	35.9
67.01900	1.3
69.03452	1.3
71.01389	18.9
71.75691	1.4
72.99316	2.1
73.02940	5.8
74.99134	0.9
75.00880	0.8
81.03485	1.5
83.01391	2.9
85.02966	6.4
87.00900	2.9
88.98816	7.3
89.02459	8.5
93.03481	2.6
95.01395	3.2
95.05039	1.5
97.02950	1.8
99.00895	1.7
101.02458	9.7
101.89935	0.8
107.01430	4.8
108.02169	1.5
109.02966	3.8
111.00893	3.0
113.02464	6.7
119.03511	3.4
120.44010	1.0
120.99661	7.4
121.02970	6.8
122.03738	2.3
123.00916	15.5
123.04542	100.0
124.01682	2.8
124.04873	1.3
125.02465	28.9
126.02842	1.1
127.00378	1.8
136.01685	2.4
136.05342	4.9
136.98883	1.1
137.02432	7.9
138.03230	3.4
139.00383	3.6
139.04030	1.8
139.11304	2.4
140.01196	2.9
143.03535	1.1
146.03770	2.1
149.06110	2.8
151.00397	10.3
151.04024	5.1
152.01073	1.2
153.05595	93.6
154.02800	1.0
154.05959	3.1
155.03532	1.3
155.10814	1.7
155.50858	0.9
161.04556	3.3
161.06033	1.8
161.38817	0.9
163.04094	1.0
166.02724	11.1
166.06380	2.6
166.99878	3.5
167.03490	3.4
167.07118	2.9
168.00648	7.0
168.04271	2.5
169.01443	35.5
170.01869	1.0
171.10384	0.9
177.01898	2.8
180.04372	5.4
181.01558	4.0
181.05069	6.0
181.08708	1.1
182.02254	5.2
183.02939	4.7
183.06645	9.6
183.10286	3.0
184.10591	1.7
187.13451	1.3
195.03064	1.4
195.06622	1.5
197.04565	20.9
199.09779	1.9
211.02510	3.3
213.02975	1.0
225.04036	1.6
226.11588	1.1
243.12306	2.6
245.12213	2.1
271.04419	4.1
272.05008	1.6
273.05011	2.6
297.11960	1.4
311.04282	1.0
311.07727	2.0
313.05670	18.4
324.30292	0.9
326.06390	5.6
327.12366	5.1
329.12527	1.2
333.13547	1.2
333.19241	1.0
333.26495	1.7
341.08783	85.7
342.09088	5.9
433.11493	1.5
435.25961	2.0
451.12314	3.0
459.19226	1.7
494.23071	1.2
495.11057	24.2
495.15060	21.7
495.24048	10.0
495.31607	6.3
496.11157	2.5
496.16342	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	495.1145
Annotation	Cedrinoside
Peak:m/z	Relative Intensity
52.15918	0.5
52.44811	0.5
59.01383	6.2
59.12637	0.5
61.98832	11.7
63.25808	0.5
69.03468	0.8
71.01392	6.3
71.70679	0.9
72.99318	1.2
73.02940	0.9
74.44197	0.5
79.01908	1.0
81.03474	0.7
83.01402	0.9
83.60895	0.5
85.02969	2.7
85.05576	0.5
87.00872	1.2
88.98824	2.6
89.02455	2.6
93.03474	0.7
95.01406	1.8
97.02949	1.2
99.00909	1.2
101.02450	3.2
101.31681	0.5
107.01395	5.9
111.00897	2.2
113.02475	2.0
119.05046	36.3
120.05408	1.0
120.99696	0.4
121.02977	24.3
122.03325	0.8
123.00900	11.2
123.04513	0.8
124.01660	0.9
125.02464	44.7
126.02801	1.1
127.07683	0.7
131.03540	1.2
135.04526	1.1
136.98958	0.6
137.02484	1.2
139.00392	3.3
139.03993	0.9
140.01208	2.5
141.01944	1.7
145.02948	0.6
149.02448	0.6
149.04602	1.3
151.00369	8.4
151.04030	1.1
153.01945	1.7
161.02505	0.8
163.04021	7.9
165.02010	0.7
165.61221	0.6
167.03465	0.9
168.00671	4.2
169.01443	77.8
170.01788	1.9
175.02507	1.3
177.01910	0.7
179.03540	0.8
181.01389	1.0
181.05057	2.2
183.03020	0.8
191.05574	0.7
193.01538	0.8
203.61287	0.6
211.02484	2.7
241.03484	2.1
253.03566	1.3
259.99667	0.6
271.04620	1.2
271.10800	1.3
297.06113	0.8
313.05649	42.3
314.06076	3.3
343.06567	0.7
343.10651	0.8
416.96558	0.6
432.12033	0.8
433.11459	6.3
434.11847	0.7
435.09341	19.2
436.09741	2.1
477.10370	16.5
477.16986	1.1
478.10834	1.8
495.11414	100.0
496.11688	13.1
496.19492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1141
Annotation	tarocin A1
Peak:m/z	Relative Intensity
57.03440	1.1
58.00580	0.7
59.01379	25.7
60.01707	1.6
61.01795	1.2
61.98831	35.4
67.01888	1.0
71.01385	9.3
71.69796	0.6
72.99287	1.1
73.02942	4.4
74.99076	1.1
75.65464	0.7
81.03422	0.7
83.01367	1.3
85.02964	3.0
87.00874	4.4
88.98791	1.8
89.02460	5.8
93.03441	1.2
95.01382	1.8
96.96014	1.4
97.02972	0.8
97.06646	0.6
99.00854	1.2
101.02470	6.7
107.01424	4.0
107.05045	3.8
109.02944	2.1
111.00861	2.4
113.02447	4.5
116.81849	0.6
119.03500	2.4
120.99665	3.6
121.02911	0.8
121.99928	0.7
122.03751	4.0
122.14485	0.6
122.99238	2.6
123.00071	0.9
123.00893	8.7
123.04514	1.8
124.01671	1.7
125.02464	22.0
126.02802	0.8
135.04494	2.3
136.05316	27.5
136.98935	1.2
137.02403	1.5
137.06113	5.6
139.00429	3.6
139.04027	0.6
139.11331	2.9
140.01105	2.7
140.11646	0.8
141.01917	1.1
143.03465	0.8
149.02481	1.0
149.05980	0.8
150.03194	2.5
151.00391	9.4
151.03951	1.6
153.01935	1.1
153.05597	2.2
155.10825	2.8
156.11102	0.6
156.30579	0.7
161.02446	1.0
161.04539	2.3
161.05843	0.7
163.00282	0.6
163.03972	1.6
163.16537	0.6
165.01883	1.3
165.05583	3.1
166.05006	1.2
166.99857	0.8
167.03453	1.2
168.00638	4.6
169.01443	39.4
170.01813	0.8
177.01921	1.0
178.99933	1.0
179.03532	1.1
179.07112	1.2
180.04295	45.0
181.05043	8.5
183.02963	0.9
183.10327	2.9
184.10588	1.6
185.11906	1.4
187.09702	0.9
191.07166	2.2
193.05077	0.8
193.98550	6.7
194.99255	2.0
195.06593	2.2
205.05067	0.8
211.02370	2.1
227.12939	3.0
228.13179	1.5
229.14264	0.9
233.04350	0.8
243.02988	1.1
255.02936	2.6
267.10791	0.9
271.02313	6.0
275.01764	0.8
283.10086	0.6
297.06097	2.2
297.11865	0.7
300.02725	12.7
301.00220	0.8
301.03464	6.0
313.05640	7.5
314.05835	0.7
327.19745	0.6
333.26514	0.8
343.10306	9.0
433.07642	17.2
433.20563	1.4
435.25833	2.3
451.12408	27.4
452.12656	3.1
459.18631	2.5
477.10440	2.0
477.22626	1.0
494.23230	4.1
494.29205	0.8
495.11301	100.0
495.23447	18.8
495.31558	4.2
496.11749	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	495.1144
Annotation	tarocin A1
Peak:m/z	Relative Intensity
50.52576	0.4
59.01381	12.3
59.01664	0.7
61.98843	2.8
62.69634	0.4
66.90787	0.4
69.03471	0.8
69.69965	3.4
71.01383	5.4
72.99320	1.7
73.02963	0.7
81.03478	0.9
82.12447	0.4
83.01430	0.5
85.02981	1.5
86.08807	0.5
87.00880	0.8
88.98828	1.8
89.02454	1.9
93.03472	2.5
95.01411	0.8
95.05039	0.9
97.02959	0.5
101.02467	3.1
107.01405	4.9
107.05060	0.6
108.02218	1.6
108.04575	0.4
109.02987	6.1
109.06619	3.2
111.00909	1.4
113.02481	1.7
119.05056	3.7
121.02985	5.4
122.03781	1.3
123.00914	5.8
123.04571	0.7
124.01729	1.0
125.02467	29.5
126.02819	1.4
135.04530	4.8
136.01695	0.6
136.98979	1.2
137.02472	5.2
137.06108	26.7
138.06425	1.2
139.00435	2.3
139.04025	0.6
140.01195	1.6
141.01970	0.7
145.02998	0.7
146.03758	0.5
149.02428	0.8
150.03261	1.8
151.00389	6.4
151.04008	0.8
152.01176	2.3
153.01958	2.0
162.03271	0.6
163.04025	1.3
165.01997	0.6
165.05582	1.5
166.02832	0.5
167.03522	1.0
168.00685	3.4
169.01451	41.4
170.01775	1.4
178.99886	1.1
179.03511	1.5
181.05090	85.1
182.02139	0.5
182.05440	3.0
183.03000	1.8
195.03021	0.6
195.06601	0.7
197.04675	0.5
199.47289	0.4
209.04614	0.5
211.02475	0.9
214.18701	0.5
231.63898	0.5
239.05354	0.6
253.03442	0.6
271.10934	0.7
281.06659	1.3
291.61908	0.5
293.91968	0.6
313.05676	18.7
314.05957	1.1
317.03036	1.6
318.03400	1.8
319.03662	3.2
327.07428	0.9
343.10364	13.0
344.10788	0.9
346.00494	0.5
379.13272	0.5
422.47592	0.5
432.15802	1.0
435.25937	0.7
447.12793	2.6
451.12173	1.2
451.29630	0.5
457.16623	0.5
477.03534	0.5
495.11331	100.0
496.11591	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	495.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29425	0.5
59.01369	3.4
61.98823	2.3
67.32639	0.5
71.01380	9.2
71.33699	0.5
71.71440	0.8
72.99295	0.9
73.02936	1.6
74.99093	1.8
78.95901	0.7
83.01398	1.6
85.02956	2.6
87.00880	1.6
88.98829	0.7
89.02444	1.7
91.05534	0.5
93.03465	0.9
95.01392	1.9
96.96008	0.6
97.02979	0.8
99.00871	1.0
101.02456	3.3
101.58105	0.6
103.05539	0.6
105.03468	1.7
105.85603	0.5
106.05441	0.6
107.85479	0.6
108.02183	4.0
109.02963	6.4
111.00876	1.8
113.02457	1.4
117.00393	0.6
117.03477	1.9
119.05041	3.6
121.02926	0.8
122.03762	0.8
123.00896	2.1
123.04539	0.9
124.01665	0.7
125.02494	2.6
126.98917	0.7
133.01497	0.7
133.02985	5.7
135.04529	8.0
136.99142	0.7
137.02458	1.6
139.00316	0.6
145.02968	6.1
147.04555	5.6
149.02470	1.2
151.00336	0.7
153.00681	1.0
153.01959	21.3
159.04533	0.7
161.02464	13.4
162.03209	1.4
163.00395	1.9
163.04025	21.9
164.01170	1.3
164.04539	1.3
165.01917	1.8
165.04155	1.2
165.05573	3.2
169.00096	0.8
169.01436	2.6
173.02454	5.0
175.04001	1.6
176.01068	0.8
177.01909	1.6
187.03998	1.2
189.01949	17.1
190.02728	8.1
191.03513	65.7
192.03888	3.0
193.01410	0.7
193.05057	0.8
201.01967	0.8
203.03442	2.3
204.04051	0.8
205.01439	2.4
205.05016	1.1
206.02106	0.6
207.02992	4.4
209.00960	0.9
209.04601	2.4
215.03555	1.6
216.00511	0.9
217.01436	10.8
217.04927	2.8
218.02061	0.7
219.02972	2.4
219.06635	0.7
225.96375	0.6
229.01523	0.7
231.02943	4.0
232.03734	0.7
233.00876	2.3
233.04608	1.6
234.01703	2.0
235.02481	30.6
236.02876	1.0
237.04024	1.5
243.03362	0.7
244.03752	0.9
245.00751	1.3
245.04579	1.1
247.02553	1.5
247.06139	0.6
257.04523	0.7
259.02460	3.7
261.00369	34.2
262.00732	2.0
263.02100	0.8
275.01978	1.0
276.02695	0.9
277.03610	2.7
289.03595	1.8
300.99866	1.0
303.01419	2.3
307.04568	2.9
319.04654	10.4
333.02582	1.2
335.04141	1.9
361.05643	1.2
363.03528	14.5
364.03882	0.7
379.06714	17.6
380.07227	0.8
391.03281	0.7
407.06046	0.8
423.05673	100.0
424.06012	6.9
451.05304	1.4
495.03842	2.2
495.12045	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	495.114
Annotation	tarocin A1
Peak:m/z	Relative Intensity
59.01381	3.2
60.99304	1.2
61.98833	54.1
69.03451	1.0
69.38341	3.9
69.38763	1.2
71.01395	4.1
72.99320	4.5
73.02946	1.2
75.00877	0.4
78.95928	0.5
79.01894	0.7
81.03458	1.0
83.01382	1.0
85.02953	1.3
87.00875	1.2
88.98816	11.3
89.02444	3.4
93.03459	5.2
95.01394	1.5
96.96059	0.7
97.02954	0.5
101.02457	2.7
105.01945	0.4
107.01389	3.4
107.05042	0.9
109.02966	1.5
111.00903	1.4
111.74745	0.5
113.02468	2.2
119.05038	11.8
119.05886	0.6
121.02929	0.8
122.06010	0.5
123.00082	0.6
123.00906	7.9
123.04568	0.6
124.01678	1.1
125.02464	30.0
125.67698	0.4
126.02791	1.2
127.00412	0.6
127.07690	0.5
131.03574	0.6
134.03751	0.5
135.04546	8.9
136.04924	0.7
136.07687	0.6
136.98865	0.9
137.02492	1.2
137.06079	1.0
138.01987	1.1
139.00380	2.1
139.02325	0.6
140.01186	2.3
141.01912	1.0
151.00401	5.3
151.04018	1.0
153.01987	3.4
161.02414	2.0
161.04553	0.5
162.05565	0.6
163.00414	0.5
163.04028	15.7
164.04361	0.5
165.05515	0.5
166.99908	0.9
168.00650	3.3
169.01442	42.7
170.01833	1.1
175.03780	0.4
177.01947	1.1
181.01666	1.0
181.05086	41.7
182.05388	1.6
191.03542	0.5
211.02469	3.2
223.06058	0.5
241.03503	1.3
271.04584	2.6
271.10880	1.2
273.07693	0.6
275.01923	0.5
312.15576	0.4
313.05664	12.8
314.06110	0.8
315.09854	0.5
338.88824	0.4
343.06494	0.6
343.10309	6.1
377.39679	0.4
449.11206	2.6
451.08630	0.7
459.15076	1.4
477.10306	3.6
495.11411	100.0
496.11752	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	494.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.98832	100.0
71.00195	0.6
71.01384	1.0
75.00890	0.2
85.02974	0.3
89.02467	0.5
92.12509	0.2
99.04510	0.2
101.02466	0.4
102.19669	0.2
102.32149	0.2
108.02200	0.5
108.08168	0.3
109.02980	0.6
113.02483	0.3
120.99678	0.2
125.02478	0.6
145.03073	0.3
152.01198	0.8
152.07214	0.6
153.01971	0.4
167.03581	0.3
167.07138	0.2
169.01495	0.2
275.42743	0.2
303.18234	0.3
306.87769	0.2
313.12991	0.2
450.14157	0.6
464.17615	0.2
476.17590	0.3
494.12857	1.0
494.25879	0.4
495.25726	0.3
495.32150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54419	0.6
57.03438	0.7
59.01373	5.0
61.98840	4.9
70.96417	1.6
71.01382	9.4
72.99320	1.3
73.02943	1.4
74.99107	1.1
78.85083	0.6
81.03424	0.8
83.01392	0.7
85.02954	2.2
87.00886	2.0
88.98825	1.4
89.02447	2.4
93.03439	1.0
95.01399	1.6
95.05043	0.9
96.96027	0.7
97.02971	1.0
99.00945	0.7
101.02467	4.9
105.03451	2.1
107.01427	1.1
107.05060	0.7
108.02168	2.0
109.02964	4.8
111.00906	3.0
113.02449	2.7
117.03463	1.6
119.05048	3.6
121.02980	0.9
121.49321	0.5
122.03775	1.1
123.00913	2.8
123.04534	1.1
125.02452	5.6
133.01492	0.7
133.02968	5.2
135.04549	6.3
136.99133	1.1
137.02496	1.8
139.00327	0.8
143.03581	0.7
145.02971	6.5
145.06590	0.7
147.04575	6.9
149.02452	1.4
151.00401	1.3
153.01941	10.0
159.04503	1.2
161.02463	13.9
161.06084	0.6
162.03137	1.9
163.00389	1.6
163.04037	21.8
164.01161	1.5
164.04352	1.0
165.01924	1.6
165.04317	0.7
165.05553	3.5
166.99973	0.7
169.01453	9.5
173.02477	4.2
173.06079	0.8
174.03117	0.8
175.04042	1.2
176.01079	0.8
177.01978	1.5
181.04977	1.2
187.03976	1.4
189.01959	16.6
189.05582	0.9
190.02704	6.7
191.03522	66.6
192.03883	3.3
193.05026	1.3
201.02054	1.1
201.05605	0.9
203.03505	2.6
204.04303	0.9
205.01424	1.4
206.02180	0.9
207.03029	5.0
208.03143	0.7
209.00983	0.9
209.04564	2.7
211.02354	1.5
215.00032	0.7
215.03464	1.8
216.00677	0.8
217.01447	11.3
217.05070	2.7
218.01913	1.4
219.03018	2.5
223.06590	0.6
231.03011	3.4
232.03607	0.8
233.00883	1.9
233.04298	0.8
234.01736	1.3
235.02461	28.6
236.02858	1.9
237.03993	1.2
245.00998	0.9
245.04625	0.9
247.02429	1.7
249.04114	1.3
259.02469	4.1
259.99515	0.5
261.00394	36.8
262.00787	2.5
263.01907	0.9
271.04550	2.0
275.01895	2.6
276.02725	0.9
277.03485	3.6
289.03540	1.9
300.99887	2.3
303.01535	1.7
307.04620	2.4
319.04623	9.5
319.08734	1.6
320.04913	1.0
333.02524	0.8
335.04071	1.8
343.06482	0.7
361.05692	1.2
363.03568	11.3
364.03836	1.0
379.06699	17.2
380.06888	1.4
423.05676	100.0
424.06021	10.0
451.05057	0.9
495.03937	2.1
495.13190	13.0
496.13940	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.281
Annotation	Herkesterone
Peak:m/z	Relative Intensity
50.41066	0.5
57.03437	0.7
59.01382	11.8
59.98510	0.6
61.98835	6.7
65.12848	0.4
66.93362	0.5
71.01385	3.1
71.05011	1.3
71.75924	1.0
72.99295	0.6
73.02941	2.0
83.05044	3.0
85.02948	1.4
85.06606	3.7
96.95994	0.5
97.06588	1.4
101.02453	0.8
111.08137	0.6
121.06557	0.5
123.08194	1.0
125.06084	1.1
125.09715	0.6
127.04049	0.6
135.08142	0.8
139.07597	0.8
143.07144	1.7
155.07161	18.3
157.08693	1.5
165.09189	0.6
169.01430	0.6
169.08757	0.6
171.10287	0.5
173.80962	0.5
181.12158	0.5
183.10320	0.8
189.12807	1.4
209.11826	2.3
211.09810	1.2
211.13365	0.6
229.10846	3.7
259.17029	24.9
260.17291	1.5
261.18619	1.0
263.16531	1.3
275.20139	7.8
276.20578	0.6
293.21216	7.1
295.22925	0.8
303.16068	0.6
303.23416	1.0
305.17401	0.5
305.21024	0.5
307.22775	0.6
337.20227	6.8
339.21869	1.0
356.02423	0.4
431.22794	0.5
431.27957	1.3
447.24362	0.5
449.29462	1.0
475.26883	2.0
493.28015	100.0
494.28381	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	494.094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03450	0.7
58.00632	0.3
59.01082	0.4
59.01381	7.6
60.01721	0.2
61.98832	100.0
69.03453	0.3
71.01389	4.9
71.72118	0.4
72.01717	0.4
72.99295	0.5
73.02953	1.5
74.99131	0.2
75.00880	0.2
83.01408	0.8
85.02979	2.2
85.06605	0.4
86.03297	0.3
87.00900	0.6
88.98819	0.4
89.02431	2.2
93.03484	2.3
95.01408	0.6
99.00915	0.7
101.02460	3.4
107.01427	0.5
108.02213	0.3
109.02959	0.7
111.00863	0.3
111.04522	0.3
113.02451	2.1
113.06104	0.2
114.02800	0.3
119.03516	0.7
120.99674	0.3
123.00903	0.9
123.04568	0.8
124.01666	0.4
125.02472	3.0
126.02836	0.9
131.03534	1.4
132.03928	0.3
135.04544	0.4
136.99106	0.2
137.02472	4.6
143.03548	0.3
145.02968	0.3
149.02525	0.3
149.99644	0.6
150.03250	0.8
151.00302	0.4
152.01097	0.4
153.01959	0.3
153.09265	0.3
159.02983	0.3
159.04535	0.2
161.04564	1.6
163.04033	0.3
164.04823	1.2
165.05435	1.1
166.05891	0.5
167.03500	0.5
167.35052	0.2
168.00629	1.5
169.01443	2.3
170.01814	0.5
170.30716	0.3
173.04578	0.5
177.01970	0.7
179.03604	0.4
179.05672	0.6
179.07201	1.2
180.07513	0.8
181.12119	0.2
183.10320	0.8
197.04581	0.2
199.13451	0.3
213.12737	0.2
227.03513	4.8
227.07150	0.5
228.03792	0.4
229.05121	0.8
255.02986	6.9
256.03558	1.3
268.25232	0.2
269.13965	0.8
273.07596	1.1
284.03262	8.8
285.04031	8.0
286.04398	0.7
291.08469	0.2
301.00058	0.3
301.16635	1.7
302.16922	2.6
313.05731	0.7
314.06067	0.7
331.25122	0.3
333.26425	2.5
431.09814	16.0
432.10275	1.9
433.20590	0.3
434.20819	1.4
493.30215	0.4
494.14767	2.4
494.30743	0.5
495.19296	0.9
495.25720	0.6
495.31906	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	493.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26033	0.3
55.01885	0.7
57.03448	1.2
58.00587	1.2
59.01381	22.2
60.01719	0.7
61.01806	0.4
61.53658	0.2
61.98833	9.0
65.36942	0.2
69.03481	0.5
69.16058	0.2
69.50992	0.7
69.51417	1.5
71.01389	19.1
72.01748	0.3
72.10018	0.2
72.99316	1.1
73.02955	3.6
75.00882	0.7
83.01382	1.9
85.02959	5.5
87.00907	1.7
89.02457	12.9
95.01410	1.3
97.02979	0.4
97.06613	0.5
99.00900	1.4
101.02456	14.1
102.02776	0.5
103.04027	0.4
107.16614	0.2
108.02180	0.4
108.08202	0.3
111.08181	1.3
113.02468	5.9
119.03513	4.0
121.03114	0.3
121.05082	10.9
122.36983	0.3
125.02468	1.1
131.03508	0.4
135.04482	0.2
135.93007	0.2
143.03542	0.8
149.04605	0.4
151.04129	0.3
152.01172	0.4
153.01907	0.3
159.03029	0.7
161.04588	3.0
163.06195	0.3
165.05600	0.3
165.12862	8.8
166.13226	0.5
167.14389	0.5
169.01445	0.7
173.04552	0.3
179.05663	1.0
183.13914	68.2
184.14265	4.3
195.13898	0.4
197.15480	7.0
198.15933	0.4
207.13924	0.7
209.11844	1.5
211.13394	0.3
213.15030	0.4
225.15012	1.1
227.12900	5.4
228.13249	0.9
229.13461	0.4
241.14503	0.4
265.09241	2.0
271.19049	0.3
272.03308	0.5
283.10367	8.8
284.10748	0.6
321.20789	0.6
331.04648	0.6
361.22614	0.3
463.17709	0.3
475.22061	0.8
493.22855	100.0
494.12552	0.5
494.23160	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	493.2291
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
57.03445	1.3
59.01380	88.1
60.01713	1.1
69.44479	5.8
69.44819	0.8
71.01385	7.4
72.99339	0.8
73.02950	3.8
77.84650	0.6
80.70051	0.5
83.01382	1.5
85.02952	4.5
89.02486	0.7
90.59695	0.6
95.01388	0.5
99.00892	1.5
99.04539	1.4
101.02446	9.2
109.49623	0.6
113.02469	4.7
125.02452	0.8
139.11333	1.7
146.59448	0.5
159.02992	0.8
161.04558	6.1
181.12503	0.8
183.10286	2.9
189.12881	1.0
205.07167	0.7
207.13887	2.5
209.11839	5.4
223.08243	8.0
225.14981	6.5
226.18080	0.6
227.12888	28.1
228.13196	1.7
248.59242	0.6
251.12802	0.6
265.09198	2.6
269.13974	2.2
287.14914	0.8
475.21762	9.4
476.22159	0.9
493.22885	100.0
494.23242	10.5
498.57440	0.6
518.15778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03447	1.3
58.00574	0.8
59.01381	16.7
61.98831	8.6
62.28360	0.3
69.03491	0.5
69.42972	1.2
69.43394	2.4
71.01386	11.4
72.99335	0.8
73.02957	2.1
75.97326	0.3
83.01398	1.1
85.02970	3.9
87.00876	0.7
88.98825	0.4
89.02454	9.1
93.03472	0.9
95.01393	0.5
99.00922	0.6
101.02464	2.3
107.01377	0.3
108.02203	1.8
109.02967	5.4
111.04538	0.6
113.02474	1.7
119.03510	0.7
120.99664	0.9
121.02966	14.4
122.03761	13.8
123.00878	0.5
123.04578	2.3
124.01686	1.8
125.02478	2.4
126.90208	0.3
129.03467	0.8
131.03488	0.7
134.03761	0.9
135.04523	2.5
136.01666	0.3
136.05287	2.1
137.02452	2.7
139.11320	0.7
146.03723	0.5
147.04544	7.5
148.05357	1.1
149.02408	0.4
149.06104	1.8
150.03242	1.2
151.00414	0.6
151.04070	0.5
153.01901	0.4
154.02736	1.7
159.04601	0.5
160.05325	0.4
161.04721	0.6
161.06097	5.6
162.06877	2.9
164.04846	0.7
165.05589	22.9
166.05991	0.6
168.00685	1.0
168.04309	0.7
169.01468	2.2
173.06111	0.9
174.06915	0.9
175.07645	1.7
176.08380	1.3
178.06381	1.1
179.05682	0.6
179.07153	8.0
181.04955	0.4
181.12320	0.4
183.10307	1.3
185.49796	0.3
190.06377	0.5
191.07124	2.0
199.13419	1.6
208.07487	0.3
209.08223	0.5
223.09601	1.6
245.35417	0.4
267.10413	0.4
283.09903	0.4
297.11273	0.8
298.12100	3.6
299.12747	0.7
311.12991	0.7
313.05637	1.8
313.14493	6.5
314.14853	0.5
315.12622	2.0
316.13199	0.7
326.89340	0.4
327.12387	1.1
328.13132	3.0
329.13989	0.8
331.11880	0.5
331.15485	1.1
343.11743	0.4
343.15494	9.1
344.15970	1.0
346.14206	10.3
347.14874	1.1
361.16571	100.0
362.16904	7.3
433.24640	0.5
493.20755	74.5
494.21149	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60824	0.2
59.01376	3.2
60.99305	13.7
61.98830	4.3
63.02408	0.4
64.59415	0.3
65.00323	0.4
69.48376	1.3
69.48795	0.9
71.01380	1.8
72.99311	1.5
73.02933	0.5
74.99106	0.3
75.00883	0.4
79.01913	0.2
83.01392	0.4
85.02969	1.2
87.00886	1.1
88.00414	0.8
88.16411	0.2
88.98814	100.0
89.02448	8.7
89.99142	0.9
93.03445	0.2
95.01403	0.5
99.00911	0.3
101.02451	1.2
103.00418	0.6
107.01405	1.2
109.02951	1.1
113.02466	1.7
115.04072	0.2
119.03497	0.4
121.02818	0.2
123.00857	1.0
125.02457	2.9
131.03568	0.3
135.00960	0.3
135.04526	2.7
137.02480	2.3
138.01974	0.5
151.00398	3.6
161.02414	0.3
163.00398	0.6
164.01239	0.3
165.01862	0.4
168.00685	0.3
169.01469	3.5
178.99860	3.5
179.03482	0.9
179.05653	0.2
179.07230	0.2
181.01581	0.3
190.99855	0.4
192.00435	0.2
193.01451	1.2
193.03528	3.3
201.02005	0.6
203.03542	0.4
211.02376	0.3
227.03596	0.4
231.03050	0.4
255.03035	0.3
257.00754	0.2
271.02411	3.2
271.04959	0.4
271.19061	0.6
298.98587	0.4
299.01932	4.6
300.02264	0.5
300.99634	0.3
301.99704	0.4
310.92865	0.2
313.05597	0.8
315.01404	0.3
316.01907	0.2
316.99347	0.6
317.03012	8.1
318.03214	0.7
430.14349	0.4
431.16202	1.6
433.24274	0.8
449.10724	1.6
493.06122	1.0
493.10349	0.4
493.24249	0.2
494.04776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03447	1.1
59.01379	15.6
60.99308	12.0
61.98832	40.2
63.02396	1.2
65.00330	2.4
68.53902	0.4
69.03478	0.5
69.88891	1.1
69.89308	2.2
71.01389	11.1
71.74110	0.4
72.99316	5.7
73.02945	2.1
74.99094	0.6
75.00891	4.9
81.03480	0.6
83.01395	2.9
83.05070	0.5
85.02965	4.4
87.00895	2.6
88.00392	0.7
88.98816	100.0
89.02457	10.1
89.99170	1.0
91.00392	0.7
93.03453	1.2
95.01393	1.9
96.96015	0.6
97.02940	0.5
98.19917	0.5
99.00895	0.8
99.04543	0.7
101.02460	6.8
102.98573	2.3
103.00344	0.6
107.01405	7.0
108.02213	1.5
109.02993	3.9
110.06116	0.6
111.00899	1.5
113.02463	5.9
115.00445	0.6
117.05576	0.7
119.03505	2.0
119.04987	0.7
120.99661	1.7
121.02956	0.8
123.00890	4.8
123.04571	1.3
123.08245	0.9
124.01693	1.1
125.02466	14.6
125.06116	0.5
126.02810	1.0
128.03563	0.6
130.08772	0.6
131.03520	0.8
132.92000	0.5
135.04550	9.1
136.04840	0.7
137.02466	10.5
137.06065	0.6
138.01991	11.8
138.05669	0.7
139.00395	1.6
139.02336	5.5
140.01221	1.2
141.01915	0.6
143.03482	0.8
145.02994	0.7
149.02524	0.8
150.03270	0.6
151.00389	20.7
151.03992	1.2
152.00873	0.7
153.02000	1.4
155.03368	0.6
161.02467	0.7
161.04559	1.6
163.00412	2.6
164.01126	1.3
165.01962	2.5
165.05594	0.5
166.99864	0.6
167.03575	0.7
168.00658	2.4
169.01451	19.8
170.01779	1.9
173.04659	0.8
175.02499	0.6
177.01959	5.3
178.02274	2.8
178.99881	13.7
179.02254	0.9
179.03732	2.9
179.05661	1.2
181.01518	0.7
183.03043	0.7
183.04570	0.7
190.99899	1.3
191.05597	0.5
192.00609	1.2
193.01448	2.5
193.03569	4.2
195.06598	0.6
197.04559	0.7
199.04094	0.6
201.01889	1.1
203.03468	1.1
211.02475	5.1
211.06108	0.5
225.09268	0.6
227.03503	2.1
231.02870	0.8
239.05598	0.7
240.52660	0.6
243.02991	0.6
245.04636	0.6
255.03004	1.0
255.10713	0.5
259.02402	0.5
270.99310	1.0
271.02414	4.5
271.04999	5.6
271.19202	0.8
272.02286	0.5
273.00421	0.7
275.02075	0.8
279.10880	1.7
283.05023	1.3
283.10373	1.1
284.05167	2.2
286.01114	1.6
287.01889	1.4
289.03671	0.5
294.08792	0.6
295.08298	0.9
297.11957	0.7
298.98666	0.5
299.01981	7.4
299.98987	1.3
300.02298	1.0
300.99777	1.5
301.99838	1.5
313.05679	5.2
314.05984	1.4
315.01328	0.9
315.06238	1.9
316.01849	1.4
316.99438	5.6
317.02991	53.2
317.99963	0.9
318.03329	4.6
325.11835	0.5
331.07245	0.7
331.60233	0.5
403.12299	5.9
404.12973	0.6
430.14386	8.5
431.11719	22.9
433.15601	0.6
433.24969	2.6
449.11020	4.4
493.05762	9.8
493.13574	1.6
493.19467	1.2
494.06595	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0986
Annotation	Europetin 3-galactoside
Peak:m/z	Relative Intensity
55.01898	0.4
57.03441	0.3
59.01381	8.8
61.98829	9.6
66.74457	0.3
67.01879	0.4
67.76125	0.3
68.99841	0.3
69.03465	3.4
71.00996	0.5
71.01383	6.0
71.05035	0.4
71.68041	0.5
72.99308	0.8
73.02946	1.9
75.00877	3.0
81.03467	1.6
83.01382	2.8
83.05061	0.3
85.02966	2.9
87.00893	1.1
88.46565	0.3
88.98827	0.6
89.02439	3.4
93.03462	0.7
95.01405	2.1
97.02972	4.0
99.00881	0.6
99.04563	0.4
101.02448	5.0
107.01410	1.4
107.05047	2.6
108.02187	1.0
109.02975	1.4
110.11910	0.3
111.00917	0.5
113.02458	2.9
116.92871	0.9
119.03517	0.7
120.99687	1.5
121.02973	1.4
123.00903	9.3
123.04571	0.7
124.01679	23.1
125.02462	53.0
126.02792	1.5
131.03546	2.1
133.03043	0.4
133.54956	0.3
135.04529	0.8
136.01697	0.7
137.02466	6.1
139.04022	1.5
143.03552	0.4
145.02971	0.4
149.02461	0.7
149.99606	34.5
150.03253	0.9
151.00374	2.2
151.04036	0.8
151.53078	0.3
153.02020	0.4
159.03055	0.4
161.02498	0.5
161.04585	2.1
163.03938	0.6
164.04823	0.6
165.01913	0.8
165.05588	0.8
167.03487	0.5
168.00662	59.3
169.01393	6.3
177.01970	0.7
179.03522	4.9
179.05679	0.6
179.07130	0.6
183.10190	0.4
193.01456	0.3
197.11784	0.5
198.46249	0.3
199.13397	0.5
208.00171	0.8
209.01019	0.4
243.16138	0.4
267.10803	1.2
271.19067	0.4
301.16568	4.5
302.16833	0.5
313.05637	6.2
314.05667	0.4
331.11908	1.4
331.24966	0.4
331.29916	0.3
345.08365	0.3
353.92654	0.4
417.08005	0.4
433.20270	5.4
434.20679	0.5
452.76434	0.4
475.08752	1.8
481.03064	0.3
493.09824	100.0
493.29391	2.2
494.10193	14.3
494.17615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0987
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.01880	0.5
57.03458	1.0
58.00593	0.4
59.01382	20.0
59.39381	0.4
60.01716	0.5
61.98834	9.5
65.00346	1.1
69.03479	0.6
71.01389	10.0
71.01748	0.7
71.05020	0.6
71.46640	1.0
72.99331	1.3
73.02956	2.2
75.00897	1.2
83.01414	1.2
85.02962	3.3
85.06599	0.5
87.00895	1.6
87.04557	0.6
88.98817	0.7
89.02454	8.2
93.03495	0.8
95.01429	1.3
97.02977	0.9
99.00912	0.8
99.04557	0.5
101.02458	6.8
105.01958	1.0
107.01404	2.7
108.02219	0.6
109.02971	1.3
111.00904	1.0
113.02460	4.3
115.07719	0.6
117.72682	0.5
119.03549	3.0
119.05022	0.5
120.99677	1.9
121.02991	0.5
123.00941	1.4
123.04568	0.5
124.01671	3.4
125.02458	10.2
131.03513	0.7
133.02991	1.4
135.00870	0.4
135.04565	1.2
136.01660	0.5
137.02473	1.7
139.00446	0.6
139.04065	0.4
139.11284	2.1
140.01234	0.5
143.03529	1.2
143.05112	0.8
145.03061	0.6
147.04547	0.7
149.99611	3.5
150.03270	0.6
151.00389	9.0
151.01541	0.7
151.04059	0.8
152.00847	0.6
155.10747	0.5
159.04547	0.8
161.02466	3.2
161.04594	2.8
163.00363	2.6
164.01201	0.5
167.03526	0.8
167.10846	0.5
168.00658	11.5
169.01442	5.8
171.04570	0.8
171.63120	0.5
175.04044	1.1
178.99869	4.5
179.03496	1.1
179.05664	4.0
181.01512	1.0
181.12405	0.7
183.02934	0.6
183.10268	6.9
187.04051	1.7
193.01428	0.6
195.02953	0.5
195.06749	0.8
197.11874	0.5
199.04105	2.3
201.01964	0.8
203.03532	5.6
211.02493	7.4
213.02046	0.6
214.02739	0.7
215.03526	4.6
217.01428	1.4
219.03011	0.6
225.11357	1.2
227.03531	1.2
231.02983	5.1
241.01439	0.7
242.02243	1.3
243.02968	9.3
243.12454	2.5
244.03317	1.1
258.01572	1.0
259.02475	16.7
260.03033	1.3
267.10846	1.6
269.00906	1.3
270.01627	1.9
271.02417	15.3
271.04684	10.2
271.19092	1.4
272.02881	1.0
285.03986	1.4
285.13492	0.5
286.01181	1.9
286.04160	0.5
287.01959	26.7
288.02264	2.1
298.01236	0.7
299.01932	0.7
301.03476	4.9
302.03915	1.4
303.04330	1.8
313.05798	1.6
315.01459	54.3
316.02106	12.3
317.02957	1.4
329.02866	0.6
330.03818	69.0
331.04175	35.8
331.17557	0.9
332.04416	2.2
431.29929	1.6
433.24408	10.6
434.24463	1.0
449.31305	1.0
475.29062	1.4
492.29596	0.5
493.09824	100.0
493.19046	7.7
493.29672	11.5
494.10193	12.0
494.18890	1.2
494.30316	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	493.0625
Annotation	Myricetin 3-glucuronide
Peak:m/z	Relative Intensity
57.03458	0.3
59.01386	2.0
60.96898	0.3
60.99311	1.1
61.98835	0.7
63.02398	2.1
65.00330	3.6
65.00661	0.4
69.43582	2.9
71.01402	1.7
72.99326	0.4
75.00894	0.4
81.03489	0.4
83.01394	2.7
85.02976	1.0
87.00883	0.3
88.98817	7.1
89.02469	1.0
95.01387	0.6
99.00887	0.4
101.02495	0.5
103.00423	0.3
107.01412	8.2
109.02976	5.9
109.03670	0.5
113.02463	1.0
119.01405	0.5
123.00922	0.8
124.01673	0.4
125.02462	3.9
131.59102	0.2
135.04552	1.0
137.02477	16.4
138.02844	0.6
147.04561	0.3
148.01678	0.3
149.02412	0.3
151.00397	31.9
152.00824	0.8
155.04996	0.3
161.02393	0.5
163.00388	2.8
164.01115	0.8
165.01961	2.0
169.01448	3.9
175.03979	0.4
178.99884	24.7
180.00224	0.9
183.04512	0.5
189.05533	0.5
190.99910	0.7
191.03450	0.5
192.00630	1.8
193.01405	1.7
193.03513	0.9
199.04068	1.1
203.03502	0.8
214.02698	0.3
215.03455	0.5
217.05122	0.3
219.03090	0.3
227.03490	2.3
243.02983	2.4
243.75424	0.3
245.04648	0.4
255.02933	0.4
261.04126	1.1
266.75137	0.3
271.02457	5.0
272.03125	0.6
276.91495	0.3
281.00937	0.4
287.02039	0.5
289.03500	0.7
299.01999	4.0
300.02271	0.4
313.05591	0.5
316.02200	1.6
317.03043	100.0
318.03357	7.6
403.15140	0.4
449.10822	0.8
493.06229	21.8
493.12973	1.2
494.06467	2.5
494.12982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66675	0.3
59.01370	1.1
59.36282	0.4
61.98833	100.0
69.33868	0.3
71.03979	0.3
71.72283	0.5
71.72678	0.5
76.52205	0.3
156.47826	0.3
220.85390	0.4
457.33231	0.4
492.37784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0621
Annotation	Gossypetin 8-glucuronide
Peak:m/z	Relative Intensity
57.03449	7.0
58.00584	1.2
59.01382	21.1
59.19810	0.6
61.98826	3.8
63.02405	2.0
65.00323	4.1
69.03463	1.9
71.01382	10.7
71.75392	1.3
72.99317	2.8
73.02957	3.3
75.00876	1.4
83.01387	3.5
83.05051	1.1
85.02970	5.2
87.00906	2.0
87.04570	0.7
88.98814	0.7
89.02452	7.6
93.03466	3.1
95.01409	2.1
96.96009	3.7
97.02977	1.4
98.95618	1.1
99.00928	1.3
101.02453	7.0
102.98587	0.7
103.00382	0.7
107.01410	9.7
109.02980	7.3
109.06590	0.8
109.21511	0.6
111.00948	1.3
112.89355	0.6
113.02464	7.9
115.92113	1.8
116.92880	1.3
117.97279	0.7
119.03548	3.6
119.05050	1.5
120.99702	6.0
121.02975	6.8
122.99252	2.0
123.00941	3.1
124.01671	1.4
125.02464	24.4
126.02824	0.9
127.07696	1.0
131.03525	1.6
133.03023	0.9
135.04521	1.9
137.02457	9.5
137.06157	1.0
139.00398	4.3
139.11333	4.2
141.01900	0.6
143.03554	1.0
143.05005	1.1
145.02992	1.6
147.04550	0.9
147.06676	1.1
149.02437	1.1
149.04663	0.7
150.03258	1.2
151.00389	27.1
151.04048	1.2
151.69875	0.6
152.01108	2.1
153.01967	2.2
155.05142	1.0
159.04456	0.7
161.02466	1.1
161.04585	1.5
163.00374	6.3
163.04048	1.4
164.01192	4.7
165.01956	5.2
165.07703	3.2
166.02773	3.2
166.99863	1.7
167.03442	0.8
168.00668	1.5
169.01447	22.7
169.02843	0.7
171.04646	1.7
175.02573	0.9
175.04076	1.0
178.99890	17.9
179.03546	0.6
179.05698	1.4
179.07137	18.1
179.08734	1.0
181.05104	6.1
183.04564	2.3
183.10280	14.1
187.04047	2.4
189.01941	0.7
189.05566	0.8
189.07835	0.7
190.99809	4.0
192.00612	1.5
193.01517	1.6
193.03514	2.1
193.05090	1.1
195.06609	1.0
197.11934	1.4
199.04065	6.8
201.02078	0.7
201.05615	1.2
203.03555	1.5
211.06126	2.6
215.03522	1.8
217.05072	1.8
225.11275	1.3
227.03455	5.8
243.02997	7.5
245.04535	3.5
255.02951	6.3
256.03632	1.0
259.05817	0.7
271.02454	18.1
271.05328	1.1
271.19211	0.9
272.02887	1.1
273.04034	14.4
273.06934	0.8
274.04333	1.2
299.01996	53.4
300.02432	2.9
309.11890	3.9
313.05695	10.0
317.03024	100.0
318.03415	5.4
325.11432	1.3
327.13028	4.9
331.17892	0.8
403.84479	0.8
431.29889	1.1
433.24292	5.6
449.27252	0.9
475.28964	1.3
492.29010	1.5
493.06406	6.1
493.13480	42.5
493.22708	4.1
493.29156	7.9
494.13876	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	492.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97229	0.1
57.03458	0.1
59.01385	2.2
60.99308	0.9
61.98830	1.5
71.01386	0.9
71.70692	0.1
72.01712	0.2
72.99316	0.7
73.02938	0.3
74.99117	0.2
83.01409	0.2
84.87559	0.1
85.02962	0.3
87.00886	0.4
88.98814	6.4
89.02457	1.1
89.99165	0.4
91.00380	0.2
93.03465	0.3
101.02445	0.6
103.09318	0.2
107.01383	0.3
108.02190	7.4
111.00863	0.2
113.02464	0.4
114.31903	0.1
119.03468	0.3
120.01241	0.1
121.03010	0.2
123.00880	0.6
125.02466	1.1
128.79262	0.1
131.03548	0.3
135.04539	0.3
137.02473	0.4
138.01990	100.0
138.05522	1.9
139.00417	0.2
139.02341	3.0
139.03949	0.2
149.04614	0.2
151.00398	1.0
151.03986	0.2
153.01933	0.2
161.02472	0.2
161.04547	0.2
163.00438	0.2
163.10318	0.1
167.03445	0.4
168.00676	0.2
168.04306	0.2
169.01460	1.3
169.05095	0.5
177.01889	0.2
177.05562	0.1
178.01344	0.2
178.99899	0.5
179.03502	0.3
191.05710	0.2
204.58652	0.1
211.02563	0.3
249.06261	0.1
271.02216	0.2
271.04718	0.3
299.02017	0.3
299.99408	0.2
300.11700	0.3
300.99524	0.3
313.05850	0.2
315.01514	0.2
316.01852	0.5
317.02985	1.3
377.52377	0.2
385.11475	0.3
403.12555	0.7
429.09888	1.0
429.15149	1.9
430.10370	0.2
432.15198	0.7
454.10980	0.3
493.15628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.374
Annotation	Sipholenol G
Peak:m/z	Relative Intensity
57.03429	1.3
58.41626	0.4
59.01380	5.0
60.01714	0.6
61.98835	5.2
67.58746	0.5
69.03448	0.4
71.01406	0.5
71.05035	0.8
71.72775	0.7
75.00922	0.4
78.46969	0.4
83.05071	0.7
85.06601	4.2
87.04519	3.1
94.54849	0.4
96.96023	0.4
97.06613	1.5
99.08149	0.5
109.06590	1.6
111.08212	0.5
111.63599	0.4
117.05965	0.4
127.07671	0.8
139.11333	0.6
149.45396	0.5
155.14438	1.1
253.54353	0.5
255.16035	0.5
291.23312	0.6
299.99078	0.8
315.01559	0.4
315.05084	0.8
351.45007	0.4
361.70944	0.4
387.32697	2.8
388.32806	0.4
403.32202	1.2
429.37628	0.7
431.31693	0.8
445.30447	0.7
445.36911	7.0
446.37390	0.8
447.32361	0.7
447.38626	8.1
448.38718	1.2
473.30212	0.7
473.36505	7.4
474.36893	0.8
491.37842	100.0
492.38202	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	491.2497
Annotation	Lurasidone
Peak:m/z	Relative Intensity
55.01884	0.8
57.03435	2.5
58.00568	0.5
59.01380	75.4
60.01699	1.1
61.98832	5.4
71.01385	7.6
71.05030	0.8
72.99326	0.7
73.02943	3.2
75.00887	1.0
83.01388	0.7
83.05033	0.5
84.52702	0.6
85.02950	4.6
87.00900	1.0
87.03989	1.2
87.04523	23.6
89.02467	3.7
91.13834	0.5
95.01417	1.0
97.17444	0.6
98.19830	1.2
99.00893	0.7
99.04552	2.3
101.02467	5.9
109.02966	0.6
111.00908	0.6
113.02463	4.3
116.92896	0.6
119.03593	0.5
120.99636	0.8
123.04540	1.2
125.02448	1.1
125.77132	0.6
137.09811	0.7
137.97227	0.5
138.26001	0.6
139.11307	17.0
140.11613	0.5
144.04471	0.6
146.03702	0.6
161.04608	2.6
161.05920	0.7
163.11246	1.0
165.09201	0.8
175.47089	0.7
181.12352	6.9
183.10275	17.5
184.10631	1.0
192.62289	0.7
207.17535	1.5
209.11926	0.7
225.11322	2.3
226.59009	0.6
227.12949	3.8
228.55031	0.6
243.12309	1.6
265.12830	1.2
269.17566	51.4
270.17783	3.2
293.17657	1.3
300.02548	0.8
311.09143	0.9
315.01526	1.0
315.05103	2.2
329.13910	2.3
341.13824	1.9
431.22815	1.3
473.23953	5.7
491.24857	100.0
492.25198	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	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01944	1.8
57.03500	3.2
58.00640	1.9
58.19949	0.4
58.98787	0.5
59.01384	43.0
61.98834	5.1
63.02774	0.5
69.03503	0.5
69.52325	4.5
71.01036	1.1
71.01391	24.3
72.99325	2.2
73.02954	4.5
75.00931	1.0
81.16943	0.4
83.01389	2.1
83.05075	0.7
85.02964	7.4
87.00890	2.7
87.04615	0.7
89.02460	18.0
91.01972	0.5
93.03557	1.8
95.01447	0.6
96.96103	0.5
99.00974	1.8
99.02815	0.7
99.04616	1.6
101.02460	9.3
103.00371	0.5
103.04101	0.7
105.05646	1.1
108.02287	1.3
109.02976	9.6
109.06651	0.7
111.00948	0.5
113.02465	5.7
119.03598	1.0
119.05112	1.3
119.08743	1.1
120.99693	0.6
121.06651	0.4
122.03806	0.5
123.00935	0.5
123.04530	2.8
124.01703	0.5
125.02481	2.3
131.03615	0.8
131.05121	0.7
133.10197	0.9
135.04538	6.9
135.08250	1.8
135.11906	0.8
135.98367	0.5
137.02570	0.9
137.09758	7.8
138.10193	0.6
143.03607	0.9
145.03096	1.6
147.04617	1.0
149.02536	1.9
149.04666	0.6
152.01225	1.0
153.09311	0.9
155.10789	0.5
159.04538	4.5
161.04665	3.5
161.06020	0.6
161.09807	1.8
163.04097	0.8
163.07672	4.7
164.04846	2.7
167.03641	0.7
171.04549	0.6
172.05347	3.2
173.04655	4.3
173.06187	4.4
179.03551	2.3
179.05699	1.1
179.07115	3.6
179.10809	2.7
181.08740	4.4
183.04678	1.3
185.06206	0.5
187.07652	3.1
189.05585	3.4
190.06404	1.0
191.07227	1.3
195.06709	0.6
197.11903	1.4
201.05687	1.4
203.07288	2.1
205.08760	0.5
209.11868	0.6
211.04086	1.0
223.09737	2.2
225.11378	0.9
240.04236	0.6
241.05092	7.6
241.12631	2.3
242.05568	0.7
249.06210	0.7
253.05043	2.1
255.06602	3.6
263.07095	0.7
265.08716	0.7
267.06735	1.7
267.10754	3.9
268.07446	1.7
269.08118	1.0
273.04074	2.5
279.06653	1.1
280.07526	0.6
281.08121	3.6
282.08759	0.6
283.09692	2.3
285.00601	0.5
295.09802	5.8
296.10464	2.7
297.11063	0.7
297.97510	0.6
298.08420	0.9
299.09192	4.4
299.99054	1.5
311.09512	8.8
311.12860	0.8
312.09985	1.7
313.00119	0.6
313.10800	9.3
314.11526	0.5
315.01413	0.9
325.10800	0.9
326.11594	6.9
327.12265	4.0
329.10416	2.1
341.13980	9.8
342.14484	0.9
343.11703	1.0
344.12668	24.0
345.13123	2.9
359.15005	69.6
360.15363	7.0
375.16513	1.3
380.70319	0.6
431.22833	3.9
473.20038	1.8
491.19800	100.0
491.28625	3.7
492.20114	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	491.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58768	0.4
53.16654	0.4
55.01932	0.9
57.03532	2.4
58.00676	1.8
59.01132	4.7
59.01464	31.0
61.98923	3.3
69.38835	2.6
69.39262	2.2
71.01048	2.7
71.01485	20.3
72.99409	1.6
73.03058	3.1
75.00948	0.6
79.16527	0.4
83.01503	1.4
83.05118	0.7
85.02518	1.1
85.03071	5.8
87.00988	2.5
89.01981	1.4
89.02569	13.7
90.62600	0.5
91.02007	0.7
93.03587	1.6
99.00975	1.0
99.02870	1.6
99.04639	0.5
101.02469	4.5
105.05692	0.6
108.02313	1.2
109.02966	9.4
109.06660	0.7
111.01015	0.6
112.67451	0.5
113.02473	3.9
119.03650	1.3
119.05149	1.3
120.61951	0.4
123.04562	2.9
124.01783	0.5
125.02544	1.0
131.03648	1.4
133.10336	0.5
134.03818	0.7
135.04547	7.8
135.08220	0.9
137.02559	0.8
137.09785	3.3
140.51715	0.4
145.03122	1.2
149.02563	1.3
149.04688	0.8
152.01265	0.7
153.09319	0.8
155.03612	0.5
158.03830	0.6
159.04529	4.8
161.04599	2.5
161.09888	1.5
163.04120	0.7
163.07652	2.7
164.04948	1.4
167.03584	1.1
167.07280	1.0
171.04626	0.7
172.05325	3.3
173.04677	3.6
173.06215	4.7
179.03523	3.0
179.05803	0.8
179.07100	2.5
179.10872	1.2
181.08737	2.5
181.12334	0.5
183.04681	1.1
183.08705	0.6
187.07629	3.4
189.05536	2.8
189.99123	0.4
191.07307	1.5
197.11935	1.1
201.05733	1.7
203.07292	1.5
205.08728	0.7
209.08365	0.4
209.11879	0.5
211.04163	1.2
223.09937	1.2
225.11400	1.0
240.04396	1.2
241.05069	6.7
241.12781	2.0
242.05545	0.7
248.60928	0.5
251.07219	0.7
253.05000	2.4
253.08810	0.5
255.06627	4.1
255.09979	0.4
256.07401	0.8
256.11081	1.5
265.08704	1.0
266.06073	0.5
267.06775	2.8
267.10641	2.2
268.07486	1.8
269.08182	1.0
269.17511	0.6
273.04080	2.4
279.06647	1.2
280.07452	1.7
281.08130	3.9
282.08847	0.6
283.09766	3.2
284.10596	1.0
295.09738	7.0
296.10507	4.6
297.11407	1.5
298.08517	0.8
299.09262	3.7
310.08545	1.2
311.09479	9.1
311.12970	0.8
312.10001	7.3
312.99759	0.6
313.10736	9.7
314.11176	1.0
325.10895	0.7
326.11533	9.3
327.12384	14.7
328.12543	2.2
329.10397	3.1
341.13916	9.8
341.17719	0.8
342.14307	1.5
343.11844	1.3
344.12656	28.5
345.12970	2.8
359.14996	76.9
360.15347	9.7
375.16464	0.8
431.22678	2.2
473.19907	0.9
484.87393	0.4
491.19357	100.0
492.19592	14.8
503.90811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
57.03442	0.6
58.00595	0.9
59.01380	31.1
61.98827	4.2
69.03448	0.5
69.52687	3.1
69.53107	1.4
71.01388	8.3
72.99323	1.5
73.02949	4.4
75.00882	0.9
75.84099	0.4
83.01399	0.9
85.02962	5.3
87.00873	2.4
89.02451	8.9
91.05566	1.2
95.01398	0.5
95.05048	0.7
99.00883	0.8
101.02451	8.2
103.04037	7.9
105.03487	0.7
108.02193	1.2
109.02946	0.7
113.02448	1.9
119.03488	3.5
119.05055	1.1
120.99711	0.6
121.02947	0.8
122.03744	1.7
123.04562	0.7
124.80133	0.5
125.02473	1.3
127.04036	0.7
134.03758	30.9
135.04584	5.6
145.02982	1.4
145.05099	1.7
146.03757	48.6
147.04553	20.6
148.05251	1.0
149.06100	31.6
150.06445	0.9
155.10748	0.8
161.02454	0.7
161.04756	0.7
161.06094	20.0
162.03215	3.6
163.03996	1.3
163.06142	14.5
164.04816	28.8
165.05089	0.5
167.07164	14.3
169.01366	0.5
177.05573	1.8
179.07153	100.0
180.07542	3.3
195.06641	1.4
197.06215	0.5
207.13937	0.5
209.11711	0.8
221.10342	0.6
225.15030	0.7
227.12871	3.5
228.13142	0.5
231.08488	0.5
241.10597	0.5
271.02521	0.8
299.99268	0.7
300.02585	1.2
311.11441	2.7
312.12317	2.3
313.12936	17.1
315.01395	1.0
315.04797	2.6
327.04517	0.5
372.63181	0.5
403.60791	0.5
410.75043	0.6
432.12177	0.6
458.16299	0.9
461.18152	10.6
462.18475	1.3
462.84851	0.5
473.18103	13.7
473.23950	1.0
474.18741	1.5
491.19012	1.5
491.24445	10.7
492.25269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.4
58.16745	0.3
59.01384	10.5
60.99309	12.0
61.98832	10.3
69.76670	2.2
71.01392	5.1
72.99328	0.7
73.02937	1.2
74.99120	0.8
83.01414	0.8
85.02958	2.1
87.00882	2.0
88.00423	0.9
88.98819	94.3
89.02462	7.6
89.99143	1.0
91.85096	0.3
94.10946	0.3
95.01385	0.5
98.20592	0.7
99.00911	0.8
101.02469	3.4
102.98602	0.3
108.02193	7.8
111.00909	0.9
113.02449	3.3
113.35103	0.3
116.92941	0.5
117.97350	0.9
119.03524	1.4
119.66297	0.3
120.01295	2.2
121.02989	0.3
123.00913	1.5
124.01640	0.6
125.02481	3.1
127.00417	0.4
131.03520	1.0
134.28873	0.3
137.72609	0.4
138.01994	100.0
138.05536	2.2
139.00446	0.4
140.01160	0.5
147.63153	0.3
149.02486	0.4
149.04570	0.6
151.00386	0.8
160.01746	0.7
161.02464	1.0
161.04573	1.3
163.04173	0.5
165.02043	0.4
168.00731	0.5
169.01456	4.2
175.04097	0.4
176.01253	0.3
177.01935	3.9
178.01521	0.8
179.05678	0.8
189.04404	0.4
191.05687	0.5
192.38007	0.4
195.06679	0.7
203.10880	0.4
209.02815	0.4
209.04576	0.5
211.02444	0.7
221.11795	0.5
241.05487	1.8
249.06386	0.4
271.04584	0.6
299.08188	0.5
299.11374	4.1
299.99118	2.6
300.99841	0.7
311.06128	0.4
313.05716	1.0
315.01559	2.6
316.16370	0.3
339.07416	0.6
429.09985	1.2
429.15222	2.2
431.15640	2.1
431.22964	1.1
432.15381	0.9
453.10413	3.0
455.10962	0.7
491.12805	0.8
491.17804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1924
Annotation	cis-2,3-Dihydro-2-(4'-alpha-L-rhamnopyranosyloxy-3'-methoxyphenyl)-3-hydroxymethyl-7-hydroxy-5-benzofuranpropanol
Peak:m/z	Relative Intensity
57.03469	0.5
59.01385	5.6
61.98838	2.9
69.03479	0.3
69.59817	1.2
69.60244	0.9
71.01383	3.0
72.99335	0.3
73.02970	1.0
75.00899	0.4
78.95913	2.7
81.44128	0.2
83.01395	0.5
83.05071	0.6
85.02988	0.9
87.00900	0.4
88.98820	0.4
89.02466	2.4
93.03471	0.7
95.01415	0.5
96.96045	9.7
96.97005	5.6
99.00912	0.4
101.02467	1.8
103.00355	0.3
108.02220	0.5
109.03001	0.5
112.55982	0.3
113.02469	1.3
119.03530	0.5
119.05062	0.3
120.01318	0.4
120.99712	0.9
121.02966	2.5
122.03757	0.2
123.04562	0.4
125.02514	0.9
131.03558	0.3
133.02979	0.7
134.03737	0.4
135.04591	1.0
137.02490	0.5
139.00310	0.3
139.11304	0.4
143.03564	0.4
145.02974	1.3
146.03802	0.7
147.04556	0.7
148.05406	0.3
149.02480	0.7
149.06131	0.7
150.03326	0.4
159.04524	0.3
161.02448	0.3
161.04646	0.7
162.03284	0.3
163.03995	0.3
163.06102	0.7
165.05605	0.5
166.06367	0.6
167.07146	1.7
169.01514	0.3
173.39409	0.3
175.11284	0.9
178.06448	0.3
179.05655	0.5
179.07173	1.5
183.04633	0.3
183.10291	3.1
185.06119	0.3
191.05614	0.3
191.07220	0.3
209.06123	0.4
211.04076	0.4
211.07690	0.6
225.05534	0.4
227.07117	1.3
235.87701	0.3
237.05704	1.2
238.06325	0.3
239.07190	0.4
239.10994	0.2
240.04326	1.5
241.05116	1.0
241.08727	0.5
243.06551	0.3
250.06310	0.4
251.07115	1.2
253.05048	0.7
253.08789	0.6
255.06641	7.5
255.10396	0.4
256.07254	1.1
256.11105	2.3
265.08795	0.4
267.06665	1.2
267.10501	0.5
269.08191	5.8
270.08801	0.8
271.09573	0.3
281.08295	0.5
282.08926	0.7
283.09802	3.0
284.10504	2.4
285.11264	0.4
295.09799	1.8
296.10474	3.1
297.11237	1.6
299.09274	2.4
299.99124	4.3
300.10046	34.2
300.99649	0.5
301.10416	2.6
306.40872	0.3
310.08524	1.7
311.09232	6.5
312.10025	11.0
313.10263	1.1
314.11475	0.7
315.01913	3.0
315.12387	100.0
316.01877	0.3
316.12741	7.9
325.11566	1.4
327.12399	23.5
328.12796	2.1
329.13770	0.5
345.13525	2.7
346.13922	0.4
403.17905	0.6
431.22949	1.8
473.20010	0.3
491.04346	0.4
491.19452	3.7
491.28647	1.7
492.20190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98029	0.8
59.01377	6.5
60.99308	13.7
61.98834	2.9
63.96239	2.7
71.01391	3.8
73.02950	0.9
74.99100	2.4
75.00890	0.7
83.01402	0.7
85.02956	1.0
87.00888	4.1
88.00408	0.9
88.98814	100.0
89.02452	6.3
89.99151	0.6
95.01383	0.4
99.00880	0.4
101.02456	4.0
101.16006	0.3
103.04028	0.5
107.01382	0.5
108.02191	1.3
109.02943	0.5
111.00896	0.4
111.04552	0.4
113.02441	1.8
115.92091	0.4
116.92872	1.0
117.97325	11.5
119.03490	0.9
121.02907	0.4
123.00900	0.9
124.01738	0.4
125.02485	2.1
127.00397	1.7
131.03506	0.4
135.04543	0.4
137.02457	0.5
138.01987	14.1
139.04042	0.5
141.01965	0.4
147.72360	0.4
149.02481	0.4
151.00414	0.9
151.03983	0.5
153.01903	0.5
161.04636	1.6
161.05835	0.4
165.05533	0.4
167.03632	0.4
168.00716	0.5
169.01433	2.5
177.01941	7.2
178.02411	0.3
179.05667	0.7
195.06557	0.6
197.08167	0.5
197.36668	0.3
203.10686	0.6
221.11873	1.0
237.04353	1.6
241.12604	0.5
251.09219	0.6
265.09314	0.7
269.10202	0.6
274.04483	0.5
286.98306	1.2
287.01801	0.7
298.03763	2.7
299.04266	1.8
299.99091	7.8
300.99670	0.8
313.05637	2.9
314.97897	0.8
315.01419	9.0
316.01901	0.4
329.15939	0.4
339.07373	0.5
431.15433	0.9
431.22888	1.0
453.10431	1.5
491.07809	1.2
491.14160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	2.7
59.01385	4.6
61.98825	0.8
66.07838	0.4
70.33709	1.4
70.34129	0.8
71.01398	2.8
72.99308	0.8
73.02942	1.1
85.02956	1.3
87.00887	3.7
88.00401	0.5
88.98818	3.4
89.02449	1.5
95.03743	0.8
99.00893	1.9
101.02450	1.3
105.01979	0.9
111.00883	2.6
113.02464	0.9
119.05067	0.5
120.23735	0.5
121.02980	2.3
122.06124	1.9
123.62786	0.4
124.07712	2.9
125.02473	1.5
132.04558	1.6
132.08243	0.5
134.06151	0.8
135.03008	0.5
135.04521	0.9
140.69533	0.5
146.06148	7.1
147.06870	1.6
148.07750	2.4
150.05612	1.6
158.06119	2.0
158.63661	0.5
159.06886	0.7
160.07713	0.7
161.04779	0.7
165.04321	0.7
167.05878	1.3
168.06757	1.3
169.01489	0.9
174.05650	4.7
175.06384	2.9
176.07079	1.2
177.01942	1.7
179.05914	2.5
179.07196	0.5
188.07230	2.2
189.07967	1.8
191.05940	2.2
202.05165	0.9
203.05862	2.0
204.06683	4.2
205.07419	1.1
207.05417	4.1
212.07333	0.6
214.08920	0.5
221.06964	4.5
226.12392	0.8
227.05988	1.0
227.08203	1.1
228.06635	0.8
228.13866	0.8
229.13507	1.1
230.08395	0.5
235.04855	1.0
237.06384	2.1
240.09091	0.5
241.09807	1.0
243.11391	1.0
255.11356	1.6
257.12848	1.2
267.11267	0.6
268.13669	0.5
269.12955	1.5
271.14517	7.0
272.14780	0.7
283.11169	0.9
283.14542	2.7
287.02225	0.5
291.11249	0.5
295.10672	0.6
295.13971	0.5
297.12286	2.1
299.14072	8.5
299.99130	12.4
300.14224	0.6
300.99591	1.5
309.12335	1.9
311.14020	1.7
313.05780	0.5
313.12155	0.8
313.15524	3.5
315.01474	12.4
315.13498	0.8
316.01733	1.3
325.11676	0.9
327.13443	2.5
329.15109	5.8
330.15704	0.5
337.15729	0.5
339.13309	0.7
343.13007	8.8
344.05850	0.4
353.11597	0.8
355.13083	1.4
357.14661	2.4
367.16718	0.9
371.12540	10.2
372.12891	1.1
373.14063	8.3
374.14417	0.8
385.13907	0.8
389.13626	1.2
401.13498	0.7
409.14444	0.5
411.15445	1.0
429.17053	1.0
431.14725	0.5
431.22781	1.2
447.17941	0.6
463.17407	1.1
473.15735	1.3
491.04892	2.9
491.16718	100.0
492.17004	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	491.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
59.01380	2.9
59.58694	0.2
69.03445	0.3
71.01382	4.7
72.99285	0.4
73.02951	5.3
75.00870	1.4
85.02924	0.4
87.00897	2.3
89.02454	20.5
90.02763	0.3
101.02487	0.4
101.83482	0.2
103.04012	3.1
105.01948	0.7
130.99857	0.4
131.03514	4.2
133.01466	0.7
149.04572	100.0
150.04910	2.3
165.04062	2.9
229.66899	0.3
347.04315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.7
61.98826	1.5
65.00325	0.6
67.01896	0.8
68.24265	0.3
69.65831	1.5
69.66238	0.5
71.01378	0.7
71.05022	0.3
73.02949	0.3
75.02386	1.2
76.47434	0.2
78.95889	0.5
79.05676	0.2
82.81831	0.3
83.05050	0.4
85.06586	0.8
89.00362	0.3
91.01894	2.7
93.03461	0.9
95.01382	0.8
103.01913	0.7
105.03502	0.4
107.05041	0.9
108.02194	2.7
109.02980	1.6
116.59853	0.3
117.03472	0.5
119.01395	4.8
119.05028	0.3
121.02946	1.4
123.00881	0.3
123.04529	0.6
123.08167	0.3
124.01717	0.4
131.01408	3.9
132.02202	0.5
133.02957	1.0
135.04544	2.0
136.01640	0.6
137.02446	1.8
137.09755	0.3
145.02945	3.0
147.00897	17.5
147.04489	0.3
148.01680	4.4
149.02460	1.7
151.00340	0.4
151.04037	1.6
152.01112	0.4
153.05550	0.4
159.00909	4.1
161.02492	0.4
163.00354	1.4
163.04050	1.9
164.01122	0.7
165.01958	1.5
173.02434	0.4
175.00381	17.8
176.01163	19.5
177.01877	2.6
178.02641	0.3
178.99840	0.8
179.03499	2.6
190.02698	2.4
190.99887	2.8
191.03513	6.3
192.00691	2.2
192.03886	0.5
193.01430	1.2
201.01978	0.4
201.07249	0.2
202.99873	29.8
204.00252	1.5
205.01405	0.9
207.03001	4.2
208.00066	0.3
209.00851	1.0
209.11800	0.3
215.03516	1.1
218.99358	1.4
220.00079	1.9
221.00896	6.3
222.01198	0.4
228.00711	0.5
229.01437	0.4
235.02467	20.3
236.02834	1.0
242.02190	0.4
243.06754	0.3
244.07381	0.7
246.98830	27.5
247.99193	1.6
255.03009	0.4
256.00092	0.5
259.17093	0.7
260.03217	0.3
271.03058	0.2
271.05991	1.6
279.01453	100.0
280.01810	6.0
285.04025	0.9
287.02136	0.5
288.02713	0.6
293.21194	1.0
299.99088	0.4
315.01453	0.5
315.05115	2.0
316.05276	0.3
331.00949	0.5
332.01892	0.4
347.07660	1.3
373.26740	0.3
431.28366	0.4
459.09171	1.9
473.25217	0.5
491.05908	0.9
491.12073	6.4
491.25848	4.5
491.34390	2.3
492.12173	0.5
492.27036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71182	0.2
59.01382	2.7
61.98824	0.8
63.45229	0.3
65.00334	0.5
67.92965	0.2
69.41720	1.0
69.42145	1.9
71.01371	0.6
73.02958	0.4
73.37140	0.3
75.02414	1.1
79.01966	0.3
83.01395	0.3
85.02942	0.4
91.01893	3.0
93.03460	0.9
95.01426	1.3
97.02977	0.3
101.02443	0.4
103.01895	0.8
105.03513	0.4
107.05039	0.7
108.02182	3.0
109.02972	1.0
110.00105	0.3
110.34247	0.3
113.02505	0.3
117.03433	0.3
119.01421	4.4
119.05077	0.7
119.43556	0.2
121.02968	1.2
122.57114	0.2
123.00921	0.5
123.04518	0.7
124.01672	1.0
125.09809	0.3
131.01408	4.1
132.02083	0.3
133.02956	0.9
135.04564	1.7
136.01697	0.6
137.02480	1.7
140.01295	0.3
145.02939	0.4
147.00908	17.8
147.04530	0.4
148.01706	4.4
149.02509	1.7
151.00389	0.6
151.04007	1.7
159.00897	4.4
160.10324	0.3
161.02472	0.6
163.00400	1.3
163.04057	1.6
164.01248	0.4
165.01955	1.1
171.10274	0.6
173.02435	0.5
174.98773	0.4
175.00385	17.3
176.01163	19.5
177.01941	2.7
178.99907	0.9
179.03525	2.6
190.02759	2.6
190.99913	2.5
191.03514	7.5
192.00665	2.3
192.03670	0.3
193.01445	1.1
201.01981	0.6
202.99876	29.4
204.00206	1.3
205.01485	0.6
207.03004	3.9
209.00940	0.7
209.11784	0.3
215.03514	0.6
216.04231	0.4
218.99382	2.0
220.00143	1.7
221.00906	6.9
228.00589	0.5
229.01503	0.5
235.02472	21.0
236.02887	0.9
244.07428	0.6
246.98837	27.5
247.99147	1.6
249.00328	0.3
249.18593	0.4
256.00082	0.5
260.03284	0.6
264.04578	0.3
271.06161	0.9
279.01456	100.0
280.01834	5.0
287.01962	0.6
288.02795	0.3
299.99390	0.4
300.02670	0.5
303.08673	0.4
315.01627	0.5
315.04947	1.9
331.00882	0.3
332.01733	0.4
347.07730	1.0
351.05405	0.3
363.03687	0.4
389.31000	0.3
459.09451	0.7
473.25513	0.4
490.31894	2.5
491.05164	0.5
491.11975	6.3
491.26660	3.0
491.33963	2.5
492.12268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60192	0.1
51.02856	0.1
53.14384	0.1
58.00568	0.2
59.01090	0.2
59.01378	3.4
60.99289	0.4
61.98511	0.2
61.98827	4.5
65.00338	0.2
67.59973	0.1
69.03419	0.2
70.04344	0.9
71.01030	0.2
71.01382	2.0
72.99307	0.2
73.02939	0.5
77.84576	0.1
81.03445	0.5
83.01381	0.4
85.02944	0.7
87.00867	0.5
88.98814	2.9
89.02448	1.2
89.03977	1.7
95.01402	0.5
95.05043	0.3
99.00880	0.3
101.02473	1.2
104.02648	0.2
105.00420	0.2
105.01911	0.2
105.03471	2.6
107.01408	2.0
108.02209	0.3
109.02969	0.5
111.00879	0.6
113.02477	0.8
116.92802	0.2
119.03501	0.3
120.01254	0.7
120.45962	0.1
120.99678	0.2
121.02953	0.6
121.40936	0.1
123.00905	1.3
123.04544	0.4
124.07742	0.2
125.02459	7.4
128.87395	0.1
131.03535	0.2
133.02979	8.3
134.03311	0.2
135.00897	0.2
135.04521	1.1
136.01704	0.1
137.02460	0.2
139.00394	0.5
139.07692	0.2
140.01152	0.2
141.02025	0.2
143.03482	0.2
148.01689	0.9
149.02475	1.9
151.00400	1.6
151.03995	0.3
153.01869	0.3
160.05389	0.2
161.02454	1.3
161.04547	0.6
163.03978	0.2
166.99911	0.3
168.00647	0.4
169.01439	10.0
170.01773	0.3
174.05496	0.2
176.01155	1.9
177.01939	100.0
178.02272	4.4
178.99887	0.2
179.03499	0.4
179.05661	0.2
182.02228	0.8
187.03986	0.2
189.05649	0.2
191.05724	0.2
197.04614	1.0
204.06729	0.2
211.02504	0.3
217.01353	0.2
219.03006	0.2
241.03510	0.2
241.12665	0.9
243.03062	0.2
271.04611	0.3
287.02026	1.1
299.11349	0.2
299.14261	0.3
299.99106	8.6
300.99585	0.8
313.05643	8.8
314.05936	0.7
315.01456	10.5
315.12540	0.3
316.01840	1.1
325.11575	0.4
327.13306	0.2
329.14709	0.4
339.07193	18.4
340.07449	1.5
343.13123	0.2
371.12219	0.5
373.14130	0.2
429.13974	2.2
431.15878	0.3
431.22821	0.7
491.08426	26.0
491.17001	2.7
492.08722	3.0
492.15781	0.1
492.19446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28531	0.2
55.01899	0.3
57.03437	1.4
59.01379	7.1
60.16006	0.3
61.41385	0.2
61.98833	1.1
63.02386	0.3
65.00335	0.4
66.41891	0.3
68.99829	0.4
69.39822	2.6
70.07114	0.3
71.01386	8.3
72.99315	0.8
73.02959	0.7
75.00877	3.1
83.01403	1.0
85.02958	9.8
87.00883	2.1
89.02461	1.6
91.38953	0.2
95.01398	2.7
98.20573	0.5
99.00896	3.5
103.00399	2.3
107.01423	1.3
108.02205	0.8
109.02981	0.6
111.00890	0.3
113.02464	15.1
114.02811	0.4
114.71847	0.3
115.00392	0.8
117.01966	1.4
121.53314	0.3
129.01974	1.2
135.00882	0.9
139.00510	0.2
148.01685	0.9
149.99683	0.4
151.00375	3.0
157.01476	0.4
159.04520	0.5
163.00383	1.0
164.01167	0.9
169.01372	0.4
174.03185	0.4
175.02492	3.0
199.03990	0.5
202.02586	0.5
215.03435	0.5
216.04266	0.8
219.06535	0.5
226.02635	0.6
227.03459	2.3
228.04247	0.6
243.00427	0.3
243.02972	9.5
244.03749	2.0
254.02219	1.6
255.02985	15.4
256.03415	1.7
259.06104	0.8
271.02457	31.6
272.03085	6.4
273.03784	0.4
283.02390	0.3
287.05579	1.6
299.02066	0.5
300.02756	49.2
301.03143	3.9
311.09195	0.4
315.05093	100.0
316.05435	8.7
327.12381	0.6
344.12625	0.8
359.14951	2.1
491.08380	3.1
491.19110	2.6
491.28357	0.3
492.08475	0.4
492.19876	0.3
500.54761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81329	0.5
56.99071	0.6
57.03476	1.8
58.00614	1.9
59.01382	39.9
61.98833	14.0
61.99124	1.0
64.50747	0.6
71.01386	27.0
71.25043	1.2
72.99305	4.0
73.02962	3.5
75.00902	1.8
75.98270	0.6
79.90154	0.6
83.01422	1.7
83.05044	1.3
85.02956	6.2
87.00927	2.1
87.04545	1.2
88.98895	0.9
89.02456	35.7
95.01440	1.0
99.00910	0.7
99.04540	1.6
101.02461	6.3
103.04030	0.6
109.03005	0.6
113.02461	7.3
119.03541	1.8
119.04971	0.7
120.99669	0.8
123.00891	0.7
123.04575	1.2
124.01709	0.7
125.02505	1.9
131.03519	4.3
134.03764	3.8
135.04608	1.8
135.08147	0.6
135.98457	0.9
137.02513	0.8
137.09764	1.2
139.04015	0.7
143.07159	1.1
144.11183	0.6
145.03070	2.8
146.03748	4.1
147.04565	2.5
147.06705	1.4
149.04648	4.9
149.05954	3.4
151.00401	0.7
155.10805	8.0
161.04639	2.1
161.06113	1.9
163.04059	0.7
163.06245	1.1
163.11276	0.7
164.04851	3.0
167.03500	1.4
167.07204	1.5
168.00717	0.9
169.01480	1.1
171.10239	0.8
175.04111	0.9
177.02023	1.2
179.07150	8.5
181.12395	1.0
182.02220	1.4
183.03011	10.3
187.06160	1.1
198.03265	0.9
199.09752	2.9
199.13391	0.6
211.13426	2.3
213.15164	0.7
223.13429	1.1
224.04886	1.6
225.11311	0.7
238.06305	1.3
239.10767	1.5
241.10782	0.9
243.02780	0.8
255.03040	1.9
255.10233	3.1
258.01727	2.2
266.05817	1.8
267.10342	0.6
269.11765	1.9
269.14310	0.6
269.98096	5.6
270.12656	1.3
270.98843	11.6
271.02386	2.7
282.01740	3.1
283.09744	17.3
283.99609	2.7
284.09998	0.8
285.00430	15.9
286.01138	5.3
295.09784	2.1
296.10532	2.1
297.00311	1.5
297.11252	1.1
297.97562	15.9
298.12021	2.5
298.98340	30.5
299.98904	2.1
300.02789	4.9
309.11475	0.7
310.11993	0.8
311.09265	41.5
312.09534	1.9
312.99911	44.0
313.12872	1.6
314.00681	52.1
315.01193	4.1
315.05136	10.0
316.05563	0.7
325.10699	4.2
326.11591	24.1
327.11908	1.4
328.02237	16.4
329.03021	100.0
330.03229	5.5
339.05246	1.2
341.13943	47.8
342.14310	3.3
345.08182	4.1
371.07632	3.8
431.22937	1.6
447.29590	1.3
461.18228	0.9
473.26990	0.7
490.27649	1.3
491.08224	90.4
491.21152	17.3
491.28406	12.3
492.08679	7.7
492.21515	1.5
511.11279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.3
57.47913	0.2
59.01380	3.9
60.99310	2.7
61.98830	6.3
63.96250	0.3
63.99259	0.2
65.65561	0.2
69.03450	0.2
71.01383	2.7
71.68256	0.4
72.99300	0.3
73.02946	0.8
74.99098	0.3
75.00855	0.4
83.01396	0.4
85.02963	0.9
87.00890	2.0
88.00407	1.5
88.98814	23.6
89.02450	2.9
93.03435	0.3
94.72093	0.2
95.01447	0.3
96.96014	0.3
99.00888	0.5
101.02450	1.5
107.01424	0.4
111.00891	0.4
113.02460	1.4
116.92905	0.5
117.97327	0.4
119.02772	0.2
119.03555	0.5
119.05051	0.2
120.01266	100.0
121.01687	1.3
121.02941	0.6
122.06155	0.3
123.00914	0.7
123.04563	0.3
124.01685	0.4
125.02463	2.2
126.02801	0.3
131.03503	0.2
133.02980	0.5
135.04582	0.4
137.02409	0.4
137.06078	0.3
139.00375	0.4
139.03992	0.2
140.83586	0.2
149.04527	0.2
151.00375	0.5
151.04025	0.3
152.01193	0.3
155.03430	0.2
161.02443	1.1
161.04570	0.8
162.02834	0.3
163.04025	0.4
166.05121	0.3
167.03506	1.0
168.00723	0.2
169.01450	2.5
170.01784	0.3
173.04573	0.2
175.03969	0.3
177.01918	2.4
179.03514	0.3
179.05669	0.6
183.04500	0.2
191.03618	0.3
191.05621	0.3
195.06583	0.3
209.04630	0.3
217.01332	0.2
221.11806	0.3
241.05348	0.6
263.40848	0.2
275.02045	0.5
287.02106	0.2
299.11319	1.1
299.99170	1.4
300.16043	0.2
301.00104	0.6
313.05704	1.0
315.01434	1.2
325.10675	0.2
339.07089	0.4
427.12173	0.6
431.15680	1.0
431.22983	0.5
453.10406	1.4
454.10440	1.0
490.14993	1.6
490.22012	4.0
491.07428	0.4
491.22144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07426	0.1
52.09979	0.1
57.03453	0.3
57.88313	0.1
59.01379	4.9
61.98833	1.6
67.01894	0.1
71.01387	2.7
71.05022	0.2
71.55495	0.2
71.82465	0.1
72.99318	0.3
73.02945	0.8
75.60300	0.1
81.96740	0.2
83.01394	0.4
84.98930	0.1
85.02959	1.5
85.06561	0.1
87.00868	0.6
87.04499	0.1
88.98822	1.4
89.02454	1.1
93.03464	0.8
95.01389	0.5
95.05012	0.2
96.96036	0.3
97.02945	0.2
99.00896	0.6
99.04511	0.3
101.02448	1.3
102.98605	0.2
103.00381	0.1
106.25921	0.1
107.01344	0.2
107.05036	0.3
108.02187	0.4
109.02990	0.2
111.00922	0.2
113.02465	1.3
113.51347	0.1
115.92075	0.2
119.03509	0.2
120.01292	1.2
120.99674	0.5
121.02984	0.4
122.06167	0.2
123.00911	0.6
123.04542	0.4
125.02463	1.1
131.03505	0.2
132.02209	0.2
133.02948	0.2
135.04503	0.2
137.02451	0.2
139.00401	0.5
143.03481	0.2
144.02223	0.2
145.02963	0.2
149.02438	0.4
149.06099	0.2
150.03238	0.3
151.00401	0.3
152.03511	0.2
152.07115	0.2
160.01669	0.3
161.04591	0.5
163.04126	0.2
165.01933	0.2
167.03532	0.4
169.01488	0.6
172.01646	0.5
176.01199	0.2
177.01924	1.0
179.05638	0.3
181.01521	0.2
183.10258	0.3
188.01181	0.4
191.00098	0.1
192.06709	0.2
200.01125	1.0
216.00690	1.1
216.54163	0.1
223.11617	0.3
226.99977	0.3
228.00484	0.3
230.99356	0.2
241.12614	0.8
242.99297	0.6
244.00110	1.4
257.08212	0.1
269.14148	0.2
269.17609	0.2
270.98935	0.9
271.99438	0.6
282.98849	0.3
298.98349	1.3
299.11371	0.4
299.99100	100.0
300.99451	8.0
311.07541	0.3
314.00607	0.4
315.01447	87.8
316.01794	7.1
316.05554	0.3
325.11578	0.2
339.07217	0.3
344.12845	0.2
357.14752	0.4
429.13925	0.2
431.15601	0.3
431.16467	0.2
431.22766	1.4
491.04633	16.6
491.19128	1.4
491.28604	0.6
492.04895	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3586
Annotation	rubiarbonol F
Peak:m/z	Relative Intensity
57.03431	0.4
59.01371	1.0
59.98534	0.7
61.98834	2.1
69.70437	1.1
69.70849	0.7
70.38477	0.3
71.01380	0.3
71.05011	1.9
82.45589	0.3
85.06598	3.5
95.05087	0.2
97.06627	0.9
99.08170	0.6
118.39912	0.2
123.08167	0.6
139.11314	1.3
151.11343	0.7
181.41727	0.2
183.10281	4.5
185.11841	4.2
203.14676	0.3
205.16019	1.0
207.17577	0.9
222.16318	1.1
223.17036	2.0
224.17432	0.3
237.18625	0.9
263.25882	0.3
264.20474	0.3
265.18088	1.0
302.32782	0.3
303.23395	2.5
305.24850	9.1
305.30194	0.4
306.25293	0.9
337.23895	0.8
361.96008	0.3
369.27933	0.5
373.27475	0.4
376.07254	0.3
387.32690	2.2
427.36017	1.9
429.30078	3.4
430.30649	0.8
443.35114	0.5
445.36987	5.6
446.37350	0.9
489.35886	100.0
490.36249	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	489.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
59.40791	0.3
70.56292	0.6
70.56618	0.3
71.05053	0.8
76.86711	0.3
83.05054	0.6
84.30884	0.3
84.49436	0.3
85.06597	4.6
87.09131	0.3
89.82415	0.3
97.06599	2.8
98.98917	0.3
125.09789	0.8
137.09773	0.5
144.32712	0.3
153.12953	0.4
191.10866	0.8
192.32719	0.3
192.34631	0.3
207.13884	3.0
209.15466	9.9
210.15858	0.5
217.92108	0.3
229.94839	0.3
235.17044	1.1
249.18646	0.3
279.19623	0.3
331.26495	0.4
331.30191	0.4
347.29575	1.1
357.28110	0.3
425.34302	0.3
427.36212	0.4
429.33759	4.5
430.34058	0.6
443.35239	3.6
444.35699	0.7
445.36853	64.4
446.37186	10.9
471.34689	0.8
489.35818	100.0
490.36166	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	489.3588
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
59.01382	1.0
60.99307	36.6
61.98832	6.4
61.99666	0.4
62.99737	0.3
71.05034	0.4
74.77570	0.2
78.95927	0.5
85.06594	3.6
94.79243	0.3
96.96027	0.2
97.06600	0.6
98.20570	0.5
99.08182	0.4
147.11826	0.4
161.13449	0.3
188.50975	0.2
229.72079	0.3
253.09334	0.4
253.21754	0.4
339.26956	1.4
355.30045	19.3
356.30365	2.5
395.29257	0.3
411.32666	14.4
412.33017	2.1
425.34027	0.9
426.34467	0.6
427.35733	51.6
428.36118	7.3
429.30060	0.9
441.33597	0.3
445.37009	2.6
446.37164	0.7
459.34616	0.5
471.34857	14.0
472.35263	2.1
489.35852	100.0
490.36227	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	489.322
Annotation	Homaline
Peak:m/z	Relative Intensity
57.03436	0.4
58.00589	0.9
59.01379	4.7
61.98827	1.2
63.87371	0.2
71.01366	1.2
71.27888	0.5
73.02950	5.8
78.95927	0.3
81.71602	0.2
85.02958	0.7
86.69038	0.2
89.02457	0.5
96.96039	0.4
101.02457	0.4
113.02504	0.3
123.04619	0.2
125.05984	0.2
131.03532	0.3
161.04643	0.3
191.14467	0.3
327.27069	0.3
357.23047	0.3
365.28305	0.5
377.28433	0.8
379.30347	1.1
383.29666	0.3
389.28564	0.4
393.28183	0.6
395.29681	2.8
396.29980	0.5
397.31143	0.6
405.27841	0.2
407.24481	0.4
407.29547	5.9
408.29865	1.1
409.31274	0.4
411.28912	0.5
413.30450	0.4
415.32367	0.4
425.30658	0.8
427.32300	3.6
428.32440	0.9
429.26144	0.3
439.28500	1.4
441.29944	0.3
443.31693	3.0
444.32022	0.4
445.33124	0.9
459.31039	1.5
471.31125	2.5
472.31616	0.5
489.32196	100.0
490.32492	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	489.3583
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
50.40044	0.2
53.65670	0.2
56.36472	0.2
58.00581	0.3
59.01387	1.1
61.98821	0.7
69.51452	1.6
78.95912	0.2
87.00917	0.2
95.05062	0.2
97.40015	0.2
120.62045	0.2
261.15219	0.2
345.74103	0.2
368.29755	0.2
395.29681	0.5
411.32745	1.0
413.34338	0.7
425.34366	1.1
441.33908	0.9
443.35315	3.1
444.35944	0.3
489.35898	100.0
490.36243	11.9
490.43741	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.322
Annotation	Homaline
Peak:m/z	Relative Intensity
57.03434	1.1
59.01385	4.3
61.98833	5.4
67.16216	0.7
69.03441	0.7
71.01402	1.3
71.05029	3.6
71.64655	1.1
78.95906	0.9
85.06596	1.4
92.41102	0.5
96.95983	0.7
97.06606	1.0
99.60904	0.7
109.06581	0.9
111.08150	0.9
119.08654	0.7
125.09752	1.0
161.09700	0.6
169.08705	1.8
177.12875	2.5
179.14412	2.1
191.14362	1.2
195.13872	3.0
205.15958	2.1
207.17506	3.7
219.13916	1.8
221.15433	0.8
223.13434	3.3
237.14958	4.0
239.12866	19.7
240.13234	0.8
253.21701	2.2
277.21704	1.6
281.13931	5.1
313.45612	0.7
411.28683	1.5
425.30453	2.7
427.31915	15.0
428.32404	1.8
429.30096	1.6
445.32401	3.2
445.38254	0.9
459.30936	3.2
471.30688	6.0
477.32217	3.8
489.32327	100.0
490.31635	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	489.3222
Annotation	Homaline
Peak:m/z	Relative Intensity
59.01384	2.8
61.98837	2.4
69.44349	3.1
69.44765	0.7
71.01389	1.7
72.30270	0.3
73.02953	1.4
79.65695	0.3
80.75619	0.3
85.02958	0.7
89.02437	0.5
92.30227	0.3
96.96027	0.5
98.20628	0.7
101.02453	1.1
101.06107	0.4
113.02461	0.5
135.26904	0.4
159.06519	0.3
160.51692	0.3
161.04567	0.5
195.14003	0.3
304.00949	0.4
347.23825	0.4
349.25378	1.2
357.22690	0.6
361.25558	0.4
363.23093	0.5
363.27155	0.5
365.28519	2.7
367.30127	1.9
373.25287	0.4
375.23428	1.0
377.28677	1.8
379.30356	1.6
389.28149	0.4
393.28363	0.8
395.29605	16.5
396.29898	2.7
397.31400	0.5
405.28146	1.0
407.29599	8.9
408.29959	0.9
409.27451	0.8
411.29324	0.6
413.30612	0.5
425.30591	1.1
427.32309	5.1
428.32700	0.8
439.28571	6.4
440.28882	1.0
443.31729	4.6
444.31882	0.8
459.31073	2.1
460.31693	0.6
471.31158	3.6
489.32254	100.0
490.32599	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	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03441	4.8
58.00603	0.8
59.01382	100.0
60.01720	0.6
61.98830	4.7
66.33491	0.7
69.65185	1.3
69.65587	4.6
71.01387	20.6
71.05036	1.1
72.99328	1.2
73.02955	9.6
75.00890	1.3
83.01402	2.8
83.05050	1.5
85.02962	8.2
87.00869	1.8
89.02473	3.1
95.01400	1.0
97.06579	1.5
98.63145	0.6
99.00871	3.1
99.04523	4.8
101.02456	17.1
107.05047	1.3
109.06623	4.2
113.02467	8.6
115.92091	1.5
116.92877	1.8
119.03477	0.7
119.29491	0.8
121.05876	0.7
121.06610	3.6
122.19351	0.6
125.02490	1.6
139.11195	0.7
143.03514	1.0
159.03006	1.4
161.04610	6.1
163.11273	1.3
165.12878	15.0
166.13222	0.9
171.11917	0.7
181.12408	1.2
183.10159	1.2
189.12889	6.2
191.10794	2.1
207.13916	28.4
208.14221	1.5
209.11842	36.0
210.12123	2.5
211.13403	1.6
219.08740	1.5
237.09779	11.1
245.44460	0.7
251.12910	7.4
252.12920	0.7
269.13806	2.4
279.10818	1.8
327.21823	4.0
336.20200	0.7
389.90610	0.7
471.16281	0.9
471.22391	12.7
471.28278	1.0
472.22525	1.5
485.08813	0.7
489.23193	95.3
490.23611	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92736	0.4
59.01381	3.1
61.98846	0.5
66.36909	0.4
69.03465	2.8
71.01410	1.8
71.05031	4.5
71.07140	1.1
81.03462	1.0
83.01405	0.8
83.32690	0.4
85.02962	0.5
87.00913	0.4
89.02472	0.9
91.81969	0.4
95.01407	1.6
97.02983	3.0
99.04530	1.2
101.00682	1.0
101.02475	1.7
102.15253	0.4
107.01405	1.5
108.02174	0.5
109.02963	1.4
109.05838	0.3
109.08891	0.4
111.93963	0.4
113.02469	0.7
121.03036	0.5
123.00904	7.6
123.01703	0.4
123.04579	0.4
124.01691	20.4
125.02470	57.4
126.02819	1.4
135.04564	1.1
136.01685	0.6
137.02483	3.6
137.09723	0.9
139.04007	1.2
149.99605	31.3
151.00414	2.6
151.03993	0.4
165.02003	0.5
167.03499	1.0
168.00665	58.0
169.01439	5.6
175.09897	0.4
179.03438	0.6
189.16768	0.4
205.12384	0.9
211.02448	0.6
221.10146	0.5
225.04057	0.5
234.77626	0.4
239.11105	7.6
240.11562	0.5
313.05713	4.1
331.06677	2.6
345.08218	0.7
373.07803	0.9
460.02649	0.4
471.11505	1.0
489.12479	100.0
490.12750	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	489.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.4
59.01378	20.2
61.36662	0.9
70.00325	4.7
70.00722	1.8
70.29885	1.0
71.01385	88.4
71.05028	8.4
72.01743	1.9
72.99312	24.5
74.73537	0.9
83.05013	1.8
83.59959	1.0
83.60530	0.9
85.02963	2.9
87.00882	29.8
87.07439	0.9
89.02458	12.6
96.42950	0.9
99.04530	0.9
101.02432	5.6
101.06095	7.8
102.05580	2.1
108.02193	4.0
109.02927	0.9
113.02461	4.1
115.00390	24.1
117.01974	1.2
119.03538	2.7
124.51157	0.9
125.02535	1.1
128.03584	2.6
129.01949	17.7
130.70998	0.9
133.01443	2.6
142.73878	1.0
143.03548	1.4
145.06172	1.7
146.04590	5.9
147.03014	100.0
147.06648	66.7
148.03354	2.9
148.06978	2.0
152.01219	2.0
153.01929	1.3
153.05560	1.6
161.04549	1.4
179.05682	4.9
191.05594	7.5
195.29884	1.0
205.63376	1.1
237.64319	1.0
279.10812	1.2
297.13437	4.2
309.11987	1.6
315.07245	5.6
316.07736	1.1
341.10889	30.6
342.11075	1.7
428.44986	1.0
509.22412	1.0
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
55.01863	0.3
57.03437	0.6
59.01380	7.8
61.98833	4.0
65.00352	0.5
65.64859	0.3
69.03452	0.3
69.51644	2.9
71.05029	0.3
72.99322	0.3
73.02946	1.3
75.00876	0.5
83.01411	1.1
83.05056	0.4
85.02957	1.0
87.04552	0.3
89.02466	1.5
90.76672	0.3
93.03470	0.7
95.01446	0.3
99.04514	0.7
101.02459	1.7
101.06119	0.4
107.01397	0.9
108.02168	0.3
111.00915	0.4
113.02463	1.0
116.92918	0.6
119.03466	0.4
121.03008	0.5
123.00858	0.4
125.02466	1.5
137.09676	0.5
139.04015	0.4
139.11302	0.8
143.05017	0.4
147.04597	0.4
147.68576	0.3
151.00394	2.0
153.01929	2.0
155.10849	0.5
161.04582	0.4
163.00385	0.7
167.05005	0.4
168.00685	0.3
169.01437	1.0
171.04494	0.4
174.03290	0.5
175.04030	0.3
178.99797	0.4
181.12309	0.4
183.04510	1.4
183.10255	1.2
185.06094	0.3
187.04042	0.6
189.05602	0.4
191.05782	0.4
211.03955	1.8
211.13493	0.4
213.05522	0.4
227.03510	70.3
228.03864	5.2
229.05080	1.4
237.06123	0.5
239.03510	0.9
240.04150	0.3
241.05035	0.4
255.02986	85.2
256.03540	12.0
257.04465	1.2
267.15982	1.3
269.04294	0.4
271.04568	0.4
284.03259	65.2
285.03970	23.0
286.04428	1.3
309.16974	0.6
309.20514	0.5
325.10901	1.1
327.05151	1.2
429.08395	0.8
489.10376	100.0
489.22913	4.3
490.10663	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	489.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65163	0.3
57.03428	0.4
59.01378	8.7
60.17325	0.3
61.98823	1.3
63.02403	0.4
65.00328	0.5
69.46391	1.4
69.46819	1.7
70.95746	0.3
71.05016	0.5
72.99298	0.5
73.02947	0.6
75.00847	0.4
83.01398	0.8
85.02947	0.7
87.04492	0.5
89.02451	0.8
93.03466	1.3
99.04527	0.6
101.02443	1.3
107.01411	1.4
109.02995	0.4
109.06552	0.6
113.02441	1.0
117.03446	0.7
119.03496	0.6
123.00892	0.4
125.02462	1.4
132.02194	1.1
135.00899	0.9
139.11308	0.6
145.02998	0.4
147.00812	0.7
151.00377	2.2
159.04532	0.7
161.04643	0.6
163.00359	1.1
164.01149	0.6
169.01443	0.9
169.06602	0.4
171.04524	0.5
183.04524	1.4
183.10286	0.6
185.02524	0.7
185.06035	0.9
187.03973	1.1
189.05597	0.4
192.33012	0.3
197.06090	0.4
199.04010	0.6
207.13873	1.5
209.11806	0.5
211.04022	2.1
213.05550	0.7
215.03540	0.5
227.03502	46.3
228.03844	3.0
229.05045	3.6
239.03491	1.1
240.04169	0.5
241.05058	0.5
255.02974	81.5
256.03491	9.9
257.04568	2.5
267.15771	0.8
268.03741	0.4
269.04520	4.4
283.02448	8.1
284.03250	100.0
285.03983	48.8
285.07523	0.5
286.04361	3.3
297.12323	0.4
357.13309	0.9
429.08279	11.1
430.08432	1.6
447.09210	0.5
489.10364	53.7
489.22739	5.5
489.28387	2.4
490.10767	6.3
490.23068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12903	0.2
57.27787	0.1
59.01373	1.0
61.98823	0.2
85.06599	0.3
101.43082	0.2
108.80392	0.2
115.55598	0.2
151.07539	0.2
169.07785	0.2
393.31763	0.2
419.29730	0.4
421.31143	2.7
422.31537	0.3
423.32724	0.3
425.34351	0.4
439.32098	0.4
441.34003	0.3
469.33014	0.4
487.34280	100.0
488.34671	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	488.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
66.66503	0.5
67.97870	0.4
71.01381	2.2
71.34270	1.1
73.02968	0.9
85.02950	2.0
87.00904	0.7
89.02452	1.8
92.40589	0.5
101.02454	5.8
102.02798	1.7
102.05616	35.3
109.02933	0.7
115.00388	0.7
125.02452	0.8
128.03554	28.0
129.01967	2.3
129.03925	0.9
133.01482	1.3
145.01447	11.5
145.06207	1.9
146.01901	4.9
146.04608	100.0
147.01961	0.8
147.03036	3.1
147.04924	2.9
147.06696	0.6
151.85017	0.5
152.00826	0.6
163.06117	0.7
169.01408	0.8
179.05717	0.9
191.05658	2.3
296.11023	0.8
315.07422	0.6
341.10901	0.8
354.07678	0.5
429.16589	1.0
470.10641	0.6
488.10873	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99706	0.2
56.19109	0.2
59.01361	0.3
71.30261	0.4
100.09799	0.2
124.35514	0.2
135.29645	0.2
210.41641	0.2
250.22475	0.2
469.33075	0.5
487.34229	100.0
488.34604	15.5
509.80194	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
59.01376	2.0
59.42731	0.3
61.22509	0.3
61.98838	1.4
64.97392	0.2
69.54664	2.2
71.01385	1.1
71.05010	0.4
72.42052	0.2
72.99309	0.3
73.02942	1.1
75.00867	0.4
83.05082	0.5
85.06597	0.6
97.06631	0.5
98.19863	0.5
113.37451	0.3
123.08194	0.3
132.32840	0.3
137.09767	0.3
145.05025	0.4
150.06279	0.2
151.11308	0.3
164.83392	0.3
192.24559	0.3
219.08705	0.3
251.20247	1.2
252.20631	0.4
267.19507	0.3
268.72003	0.3
285.20874	0.3
345.27963	0.4
379.29858	0.3
397.31155	0.6
415.32001	0.3
423.32861	0.4
425.34299	1.2
427.28397	1.9
428.29086	0.3
439.28098	0.4
441.33878	1.0
443.35495	5.6
444.35513	0.6
469.33557	2.4
470.33859	0.4
487.34381	100.0
488.34763	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.3
59.01364	0.5
61.98830	0.4
70.81209	0.3
70.81594	0.3
71.01378	0.2
71.05013	0.2
80.71935	0.1
85.02947	0.2
85.06632	0.2
86.28422	0.1
148.54945	0.1
150.32819	0.1
198.58673	0.2
203.14365	0.3
257.12982	0.1
395.29321	0.3
407.29401	0.2
409.31305	0.7
411.29083	0.4
423.32883	0.2
425.30725	0.6
427.32294	3.7
428.32712	0.9
441.33682	0.5
443.31189	0.3
469.28610	0.2
469.33881	0.3
471.31091	0.8
487.34280	100.0
488.34644	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01371	2.9
60.99307	1.7
61.98833	3.1
62.94711	0.5
66.03996	0.5
69.38179	4.4
71.05021	1.1
85.06612	1.4
97.06600	4.9
101.19309	0.4
113.06093	0.5
143.22035	0.5
147.02991	0.8
151.11301	0.6
153.34756	0.5
176.45837	0.4
191.10777	0.9
191.14371	1.4
207.14020	0.9
209.15469	0.9
265.27509	0.5
279.23196	0.5
357.30209	1.3
373.25430	0.6
375.26248	0.5
389.28235	1.6
391.25854	0.5
391.30124	3.5
405.31528	4.9
406.31543	0.6
407.33344	8.7
408.33423	1.2
409.31165	1.4
423.32581	1.9
425.34106	1.5
427.32285	0.8
439.32281	1.6
441.33694	19.7
442.34006	2.7
443.35541	5.0
444.35883	0.6
449.30609	1.8
451.32156	16.7
452.32492	2.6
453.33716	100.0
454.34021	18.8
457.32953	0.6
467.31525	2.7
469.33411	3.9
470.33774	0.7
471.34326	1.0
487.34570	44.3
488.35052	7.8
497.32492	2.2
513.32086	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94361	0.2
68.31534	0.2
70.95405	0.2
70.95749	0.4
115.16602	0.1
144.46017	0.1
151.08966	0.1
151.99883	0.1
182.03223	0.2
185.66396	0.1
288.66138	0.2
363.26575	0.2
379.30054	0.5
391.30310	0.2
409.31183	1.0
421.30856	0.2
441.34454	0.2
487.34271	100.0
488.34647	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	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45580	0.3
57.24619	0.3
70.03412	1.0
70.03831	0.4
71.05028	0.7
98.20509	0.3
110.72452	0.3
124.18235	0.2
128.57532	0.3
205.15996	0.7
342.14874	0.3
373.25433	0.3
375.26923	0.6
377.28467	0.5
391.29996	1.2
393.31693	0.7
405.32007	0.5
407.28345	0.4
407.33258	4.7
408.33826	0.5
421.31470	0.4
423.32745	1.8
425.34286	6.8
426.34647	0.8
427.32086	0.8
437.30527	0.5
439.31961	0.6
441.33698	2.0
443.35400	1.1
457.33099	0.7
467.31503	0.6
469.33228	11.0
470.33340	1.8
487.34268	100.0
488.34616	19.7
513.32196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	0.2
61.37865	0.1
61.96864	0.2
63.45110	0.2
84.69482	0.2
94.14684	0.2
96.58514	0.2
184.66934	0.2
229.77861	0.3
299.74188	0.2
355.26349	0.2
377.28448	0.6
391.29648	0.2
393.31653	1.9
394.32025	0.2
407.33472	0.3
411.32068	0.2
415.89517	0.2
423.32758	1.2
424.32947	0.3
441.33643	0.3
487.34293	100.0
488.34641	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	487.3428
Annotation	Madasiatic acid
Peak:m/z	Relative Intensity
57.03446	0.4
59.01367	0.9
61.98832	1.4
69.03446	0.7
69.90060	1.7
71.01391	0.3
74.61404	0.2
81.54511	0.3
119.87556	0.3
120.14802	0.3
123.08204	0.6
127.55730	0.3
135.08215	1.3
166.03099	0.3
259.20624	0.6
273.22342	0.6
355.32120	1.1
356.32733	0.4
377.24881	3.3
378.25259	1.0
381.31839	0.3
383.33203	8.5
383.38113	0.5
384.33627	1.4
393.27975	5.2
394.28290	0.6
399.36484	1.0
409.31097	13.4
410.24768	3.3
410.30862	2.1
411.25085	0.5
425.34232	26.0
426.34607	4.8
443.35342	6.5
444.35699	0.9
469.33032	2.7
470.98575	0.3
487.34250	100.0
488.34592	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.8
59.01384	4.2
61.98825	5.3
71.05037	1.6
73.02968	1.2
76.85248	0.6
83.05027	0.7
85.02959	0.7
85.06613	5.1
87.00898	0.6
87.04543	1.6
97.06622	2.0
99.04562	0.9
99.75639	0.7
104.51116	0.7
105.10326	0.7
125.09699	0.8
137.50060	0.7
141.09315	1.4
189.12955	0.9
202.26494	0.6
231.85960	0.8
265.96353	0.8
267.88843	0.7
305.21396	0.8
336.30225	0.7
371.26202	0.9
387.32867	1.5
389.27768	0.9
391.30081	1.5
405.31903	2.1
407.33392	5.5
409.31427	2.0
423.32925	1.6
425.34595	1.4
427.32379	1.2
439.32410	2.3
441.33649	6.7
442.34253	1.4
443.35266	2.9
451.32169	7.2
452.33035	0.9
453.33734	40.0
454.33981	7.6
455.32208	0.9
467.31531	1.4
469.33276	2.8
470.33490	1.0
487.34515	100.0
488.34903	17.9
497.32626	1.3
513.32941	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	487.3065
Annotation	Camphoratin A
Peak:m/z	Relative Intensity
57.03458	1.2
58.00583	0.3
59.01358	0.7
59.42074	0.3
69.03442	0.5
71.01395	0.5
71.05016	0.4
73.02949	1.6
84.02184	0.3
97.02937	0.8
98.03667	0.5
98.19784	0.4
101.32037	0.2
102.22695	0.2
107.05004	0.4
124.05240	0.3
130.02625	0.2
147.85651	0.2
150.73271	0.3
170.77948	0.2
203.28859	0.2
229.45985	0.3
257.37524	0.2
307.24075	0.3
314.00980	0.2
345.22275	0.3
347.23700	0.5
347.27512	0.3
361.25256	0.7
363.26791	1.0
365.28613	0.3
373.25418	2.2
374.25821	0.4
375.23218	0.7
377.28461	3.4
378.28882	0.4
379.30057	5.4
380.30161	0.7
387.26498	0.8
389.28564	2.4
391.26227	1.0
392.26822	0.3
393.27701	0.5
395.29205	0.4
403.26239	0.6
405.28021	2.7
406.28229	0.5
407.29565	20.7
408.29791	2.7
409.27505	0.4
411.29056	0.4
421.27493	1.3
423.28900	1.0
425.30777	1.5
439.28152	0.5
441.30057	4.6
442.30313	0.7
443.31372	0.3
457.12866	0.4
457.29510	1.5
458.29706	0.3
469.29395	1.0
487.30457	100.0
488.30835	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	487.3067
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
57.03421	0.2
57.63066	0.2
59.01387	0.9
60.99305	1.1
61.98810	0.8
69.51332	1.8
71.01382	0.5
71.05027	6.1
73.02951	0.3
75.00868	0.4
83.05009	0.2
87.00824	0.2
89.02434	0.2
99.40228	0.2
109.06607	0.5
113.02465	0.2
119.05034	0.2
119.07896	0.3
119.08685	3.1
132.83820	0.2
133.06566	0.3
135.08168	0.4
153.01872	0.2
163.07649	0.3
171.08125	0.2
173.09700	0.6
175.11223	0.5
185.09654	0.3
197.09737	0.2
200.13544	0.2
213.12854	0.2
214.27773	0.2
231.13919	0.3
257.15433	1.2
258.15567	0.2
259.16937	0.8
271.16992	0.3
291.17618	1.5
305.18945	0.6
305.22266	0.2
307.20667	4.5
308.20892	0.5
309.18588	0.2
319.20657	0.3
323.23715	1.4
325.21707	2.1
335.23740	0.7
337.21643	0.3
341.24792	0.8
347.23712	0.2
353.24582	0.6
375.23141	0.6
387.21732	2.0
388.22159	0.4
389.28430	0.6
391.26425	3.2
392.26593	0.4
395.25693	0.6
403.24774	0.5
407.29559	10.5
408.29904	1.8
409.27264	0.6
411.28638	0.6
415.24811	0.5
425.30585	10.0
426.30936	1.5
441.29861	0.3
453.26584	0.4
469.29123	0.6
470.29837	0.2
471.27487	2.1
472.27609	0.5
487.30487	100.0
488.30850	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	487.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.7
61.98079	0.6
69.03465	1.1
69.61873	5.5
71.01386	3.6
73.02958	1.1
81.03454	2.0
83.01430	0.7
85.02956	3.0
85.06595	8.3
93.03450	1.3
95.01388	2.5
97.02950	1.3
97.30750	0.6
97.89766	0.7
98.19802	1.1
101.02438	2.3
107.01399	0.9
108.02193	74.2
109.02977	60.2
110.03286	1.1
113.02465	1.6
113.06102	11.1
115.04027	12.4
121.02933	1.3
122.18690	0.8
123.00874	2.7
123.04573	1.6
125.02464	1.4
134.03693	0.6
135.00909	5.6
135.04488	0.7
139.04034	4.2
151.04037	2.1
152.01176	72.4
153.01965	34.9
154.02278	1.0
157.05133	3.9
161.04602	3.2
163.03993	2.0
165.02003	1.2
166.02730	0.9
167.03528	19.2
168.03827	0.6
183.40819	0.6
225.03876	0.7
297.06268	0.9
315.07236	10.0
329.08734	7.0
357.08279	27.0
358.08667	2.1
400.03024	0.6
469.13531	4.5
487.14548	100.0
488.08206	1.0
488.14932	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41679	0.3
55.01863	0.6
57.03435	1.4
58.00578	0.8
59.01380	21.8
61.98820	1.6
67.01893	0.5
69.03435	0.5
71.01386	12.2
72.99306	1.6
73.02942	1.0
75.00878	0.5
75.06446	0.4
75.34515	0.4
75.34937	0.4
79.01907	0.8
81.03435	0.4
83.01393	1.1
85.02958	2.8
87.00877	0.6
89.02450	11.9
95.01373	1.4
97.02385	0.3
97.02949	1.1
99.00866	0.5
101.02452	10.1
101.13804	0.3
106.75842	0.3
107.01402	2.5
111.00881	1.1
113.02460	5.8
117.03467	0.6
119.03519	4.4
119.05002	0.6
123.00094	0.6
123.00905	7.7
124.01678	3.1
125.02462	17.6
126.02800	0.5
127.11270	0.4
131.03525	0.4
136.98792	1.0
139.00400	2.6
139.04002	0.9
140.01192	2.0
141.01953	0.6
143.03516	0.4
145.02991	2.4
149.99588	1.7
151.00403	4.4
153.01978	0.4
155.10815	1.0
163.04021	0.6
167.03496	0.8
168.00659	8.4
169.01447	22.3
170.01747	1.0
173.11803	1.2
177.01909	0.4
177.09230	0.5
183.02910	0.5
192.96413	0.4
207.10248	0.4
211.02486	20.9
212.02806	1.0
237.03670	0.4
237.06055	0.4
241.03404	0.8
271.04575	24.3
272.04895	1.3
307.08188	0.8
313.05508	0.9
331.06714	1.4
335.17130	6.6
469.17200	2.6
472.50021	0.4
487.18106	100.0
488.18399	12.6
488.29138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.1
59.01374	1.6
71.01392	3.3
73.02951	1.7
74.99095	1.0
84.04546	0.8
89.01878	0.6
89.02467	0.9
99.00881	2.2
101.02457	43.4
102.02808	1.2
102.05623	18.6
127.05180	3.9
128.03558	17.0
133.01454	1.3
138.49295	0.7
144.03029	1.0
145.01451	100.0
145.06207	26.5
146.01807	1.8
146.04613	55.3
149.04568	0.8
160.69571	0.8
179.94580	0.7
259.79276	0.7
333.58020	0.7
341.10977	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	487.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57594	0.3
55.01846	0.4
57.03439	1.0
58.00597	1.2
59.01382	20.8
61.35268	0.3
61.98835	4.8
65.00365	0.6
67.01908	0.4
67.26769	0.3
69.03476	0.9
69.81968	0.4
71.01386	14.6
71.71320	0.4
71.71751	0.4
72.62127	0.3
72.99323	1.9
73.02969	1.4
74.57845	0.4
75.00871	1.8
78.48463	0.4
81.03490	0.7
83.01396	1.8
83.05072	0.5
85.02958	3.4
87.00920	1.5
88.98812	2.6
89.02457	14.7
92.86790	0.4
93.03513	0.7
95.01401	2.4
96.96023	3.0
97.03001	1.5
99.00917	1.1
101.02459	12.0
107.01389	2.4
107.04760	0.4
109.03015	1.2
111.00917	1.0
111.04549	0.9
113.02471	6.1
116.92902	0.8
119.03529	7.0
119.05066	1.3
123.00909	7.3
123.01721	0.6
123.04597	0.4
124.01707	3.1
125.02468	24.7
126.02857	1.2
127.00406	0.4
127.07726	0.5
133.02998	0.6
135.04553	0.5
136.94667	0.4
136.98836	0.8
137.02504	2.0
139.00409	2.7
140.01221	1.8
141.01958	0.8
143.03607	0.5
145.03030	1.2
147.04515	0.5
147.06717	1.1
149.99603	3.9
151.00403	3.3
151.04109	0.5
155.07216	1.7
159.04599	0.4
161.02504	2.1
163.00380	0.5
163.04086	1.5
165.01965	0.5
167.03571	1.1
168.00662	13.2
169.01451	28.0
170.01839	1.1
173.02545	0.6
173.04672	0.6
173.08215	3.7
175.02609	0.5
175.04126	0.7
177.02058	0.6
179.03537	0.4
190.02821	0.4
191.03581	0.6
193.01440	0.5
193.05078	0.6
194.75995	0.4
201.02058	0.8
203.03452	0.5
205.05154	0.4
211.02496	18.4
212.02892	0.8
229.01564	0.6
231.03040	0.5
241.03510	0.5
245.01082	0.7
249.04018	1.0
253.25122	0.4
255.97560	0.3
257.01065	0.5
265.07339	0.4
271.04575	24.1
272.05072	1.0
273.00659	0.4
274.01184	0.4
275.01917	1.8
289.07224	0.9
291.01785	0.4
299.99011	0.4
300.99957	3.1
302.00354	0.4
307.07559	0.5
313.05612	2.1
331.06790	1.8
335.09518	0.8
335.13477	14.6
335.49002	0.5
336.13852	0.8
389.10986	0.8
424.09552	1.7
469.13721	2.3
487.03516	3.8
487.14847	100.0
487.53964	1.7
488.15250	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	486.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
61.68747	0.1
61.98831	100.0
66.26926	0.1
71.01389	0.4
80.81626	0.1
81.26807	0.1
98.20676	0.2
101.02460	0.2
107.01387	0.2
123.00935	0.3
125.02463	1.3
126.02771	0.4
140.01111	0.1
151.00333	0.2
153.53371	0.2
168.00652	0.6
169.01428	1.5
170.01796	0.5
211.02496	1.7
212.02806	1.1
271.04575	1.8
272.04977	1.5
281.06067	0.1
331.06854	0.2
459.40585	0.1
486.20602	4.9
487.20850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
59.19761	0.1
61.98833	100.0
62.11517	0.1
69.52496	0.5
69.52921	0.9
73.02978	0.2
98.19859	0.3
116.69417	0.1
120.10983	0.1
125.02499	0.3
134.76215	0.2
168.00645	0.2
236.11519	0.1
322.55295	0.2
487.22263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01384	7.8
61.27783	0.8
61.98835	3.6
67.01896	2.4
67.20078	0.9
69.03462	1.5
70.27444	2.9
71.01389	10.1
73.02967	4.8
79.01916	2.4
81.03468	2.8
83.01402	8.0
83.05042	6.3
85.02965	4.3
87.00880	1.0
89.02461	3.9
93.03476	17.5
95.01402	4.3
95.05042	2.0
97.02960	2.9
99.00893	2.6
99.04539	1.3
101.02452	4.1
107.01412	12.0
107.05036	1.6
108.02257	0.7
109.02985	6.6
111.00896	6.3
111.04536	33.9
113.02480	4.7
113.06095	0.9
114.01199	0.7
115.00391	1.0
119.03574	1.1
123.00904	34.9
123.04509	1.0
124.01675	1.2
125.02466	58.5
125.06112	2.2
126.02818	1.1
133.01450	0.8
135.04576	3.8
137.02464	6.3
139.00409	6.8
139.04041	2.0
140.01169	2.1
141.01978	4.7
141.05525	1.2
143.03528	1.7
145.03020	0.8
149.45297	0.8
151.00398	19.8
151.01540	1.5
151.04019	1.7
152.00786	0.8
152.56412	0.8
153.02016	3.4
153.05620	3.0
155.03525	17.6
161.02467	1.7
163.73657	0.8
165.01964	1.5
166.99954	0.8
167.03549	3.2
168.00677	6.8
169.01453	100.0
170.01791	4.7
173.04587	11.2
179.03545	1.7
183.03036	1.2
193.01454	2.1
197.04544	4.4
204.04367	1.4
211.02483	18.0
212.02908	0.7
215.05614	1.1
249.03949	0.8
253.03571	2.2
257.06580	1.0
263.05603	1.3
271.04593	6.4
275.01807	1.1
300.99994	1.9
307.04718	1.1
313.05682	6.5
325.05679	1.8
331.06729	49.8
332.06989	2.9
367.06439	1.0
424.09662	1.9
449.13062	5.3
451.08707	8.9
452.09341	1.1
469.09869	56.7
470.10220	5.8
487.10892	78.7
488.11163	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	486.089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58409	0.6
59.01385	8.8
61.98832	12.6
69.03474	1.0
69.58997	2.2
69.59429	3.4
71.01385	7.2
72.99322	0.8
73.02952	1.3
79.01823	0.6
81.03461	1.0
82.11667	0.6
83.01391	1.4
85.02963	3.2
89.02457	3.9
93.03461	0.7
95.01394	2.4
97.02969	1.1
101.02454	5.1
107.01420	3.0
108.02161	3.1
109.02965	8.2
110.98351	0.7
111.00884	1.4
113.02467	4.5
115.00384	1.0
116.92870	0.6
119.03516	1.7
119.05042	0.9
123.00903	11.2
123.01729	1.1
124.01711	1.9
125.02467	28.1
126.02817	1.5
127.00423	0.8
133.01443	1.5
133.02954	0.8
136.98856	1.8
137.02473	1.3
139.00349	3.0
140.01138	2.3
141.01947	1.9
145.03046	0.8
149.99586	1.3
151.00389	7.1
153.01978	0.9
161.02457	3.9
161.04555	0.9
163.03990	0.9
165.01959	0.8
167.03453	0.7
168.00661	9.0
169.01451	41.1
170.01817	1.6
172.06163	1.0
179.03513	1.2
189.01871	0.7
201.04279	0.6
211.02496	6.6
220.53911	0.6
253.03630	1.0
265.23929	0.7
271.04608	8.6
313.05710	9.2
314.05890	0.8
335.13574	2.3
423.09332	100.0
424.09650	9.7
429.91205	0.7
472.47818	0.8
486.12817	10.2
487.14484	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	486.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79443	0.3
57.52666	0.2
59.01382	1.3
61.98834	100.0
62.01817	0.3
68.99811	0.2
69.78976	1.7
71.01392	1.7
72.40593	0.2
73.02945	0.4
79.01910	0.2
79.74598	0.2
83.01384	0.3
85.02975	0.7
88.98797	0.4
89.02470	0.9
93.49271	0.2
95.01397	0.3
96.96037	0.8
96.96989	0.3
97.02984	0.3
98.19903	0.3
99.00909	0.3
101.02464	0.5
107.01418	0.7
108.02190	0.5
109.03017	0.7
111.00937	0.4
111.04561	0.4
113.02487	0.9
115.00424	0.3
117.05619	0.9
119.05109	0.4
123.00894	1.4
123.04556	0.3
125.02463	3.7
126.02782	0.3
128.60388	0.2
133.01509	0.4
135.04623	0.3
137.02490	0.4
137.12819	0.2
139.00418	0.5
140.01181	0.6
141.02023	0.4
145.02936	0.3
147.04539	0.3
151.00444	0.8
153.01974	0.5
158.62375	0.3
161.02487	0.6
163.03996	0.5
166.05119	0.6
168.00687	0.6
169.01453	5.5
169.05107	0.4
170.01787	0.7
171.01895	0.4
173.02431	0.4
175.04030	0.4
177.01988	0.4
191.03635	0.3
201.01996	0.6
203.03517	0.6
211.02559	0.8
217.01425	0.4
229.01459	0.6
231.03040	0.7
245.01015	0.6
247.02368	0.4
248.03351	0.5
249.04013	1.5
257.01053	0.6
271.04526	1.2
273.00485	0.3
274.01395	0.3
275.02008	1.7
283.10492	0.3
289.07382	0.4
293.11884	0.3
299.53244	0.2
300.99890	2.5
313.05762	0.7
331.07016	0.4
353.09091	0.2
373.08109	0.3
423.09344	7.1
423.14688	0.4
424.09836	0.8
424.95355	0.2
449.13046	0.3
450.13464	0.3
455.75931	0.2
465.04572	0.5
469.10336	0.3
486.02814	0.6
486.52866	0.3
487.03586	2.3
487.14755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3635
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
57.03436	0.6
59.01370	1.5
60.99296	0.8
61.98826	1.3
63.57911	0.4
69.77391	2.6
71.05020	0.8
73.10454	0.4
85.06600	0.7
87.00874	0.5
97.06603	5.7
103.43108	0.4
107.72094	0.4
133.88945	0.4
137.09723	0.5
145.05139	0.7
191.14423	0.7
255.23323	1.6
256.23639	1.4
257.24054	2.2
279.23349	0.9
297.27356	0.4
357.30023	1.6
375.26346	0.7
389.28445	2.3
391.30115	3.4
392.30215	0.5
405.31659	8.4
406.32193	0.8
407.28439	0.7
407.33282	9.9
408.33347	0.9
423.28708	1.2
437.30444	1.1
439.32397	2.8
441.33725	10.5
442.34164	1.1
451.32169	38.4
452.32565	4.7
453.33719	100.0
454.34045	12.0
467.31265	0.5
471.34909	2.8
483.30960	0.8
485.32211	10.6
485.36362	21.2
486.37665	4.4
497.32706	11.1
498.33008	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	485.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
58.00612	0.4
59.01371	0.4
61.98833	0.6
69.03455	0.4
77.14340	0.2
83.05044	1.5
93.04353	0.2
94.30021	0.2
116.01340	0.2
179.68459	0.2
219.90112	0.2
353.24994	0.3
355.26538	0.4
369.27536	0.2
375.27063	0.3
381.28012	0.5
384.61081	0.2
389.27811	0.2
391.30188	0.6
407.29520	0.4
413.30688	0.3
421.31262	0.8
423.33301	0.9
425.30838	0.3
434.04245	0.2
437.30695	0.6
439.32025	1.3
441.33755	18.2
442.34036	1.8
455.31332	0.3
467.31573	0.5
485.32736	100.0
486.33084	11.8
509.01440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07638	0.1
57.03449	0.2
61.98820	0.1
69.49567	0.7
71.05032	1.1
72.13434	0.1
91.49260	0.1
98.19823	0.2
111.10005	0.1
189.12770	0.1
210.97450	0.1
373.28922	0.3
375.26907	0.4
391.30124	2.1
392.30063	0.2
409.31070	0.1
439.32104	0.3
455.31580	0.6
485.32700	100.0
486.33060	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	485.327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
57.23727	0.2
59.01364	0.5
60.99292	0.2
61.98825	0.7
66.34132	0.2
70.81622	0.4
71.01402	0.2
71.05022	5.6
80.02692	0.4
81.03465	2.6
85.06593	0.3
89.62794	0.2
94.04288	0.3
95.05033	3.8
97.06598	0.3
107.05051	0.5
109.06599	0.4
111.08205	0.3
137.09758	0.2
144.54068	0.2
197.95529	0.2
203.14423	0.3
223.15070	0.4
237.74088	0.2
239.14386	0.4
296.11273	0.2
301.80753	0.2
307.33624	0.2
325.65396	0.2
330.00345	0.2
335.23810	0.2
389.28445	0.4
403.30319	0.3
405.31622	18.3
406.32004	3.4
419.29593	0.4
421.31100	0.5
423.32883	1.3
437.30743	1.3
439.32120	2.6
440.32721	0.2
441.34018	0.3
449.30212	0.2
455.31760	1.0
467.31723	1.1
485.32712	100.0
486.33072	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	485.2027
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
55.01874	0.5
59.01377	7.1
61.98831	72.5
67.01885	0.9
68.99789	0.4
69.03469	0.5
71.01019	0.6
71.01383	4.0
71.70028	0.6
72.99326	0.8
73.02958	1.3
79.01894	0.8
82.00644	0.4
83.01395	0.8
85.02971	1.4
87.00884	0.8
89.02441	1.9
95.01413	1.5
97.02984	1.0
101.02464	2.4
107.01402	6.4
108.01726	0.4
111.00897	3.0
113.02476	1.7
119.03564	0.4
123.00900	13.6
124.01706	1.8
125.02461	31.0
126.02802	0.8
127.00399	1.3
136.98808	2.0
137.02432	0.6
138.03276	0.4
139.00372	4.8
139.04025	0.7
140.01172	3.8
141.01936	1.7
151.00368	5.6
152.00761	0.5
153.01964	0.5
154.99937	0.5
165.01933	1.0
167.03493	1.9
168.00659	11.7
169.01440	47.8
170.01822	1.9
179.70029	0.4
183.03038	0.5
193.01434	0.4
194.09248	0.4
211.02478	62.6
212.02815	2.5
221.33165	0.4
224.46826	0.4
241.03574	1.6
271.04565	71.2
272.04907	3.9
313.05792	0.4
331.06689	5.9
353.19611	0.6
406.08383	0.4
425.22812	1.5
485.20255	100.0
486.20581	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	484.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98832	100.0
62.12820	0.3
62.98549	0.3
71.05037	0.5
80.33284	0.3
85.56918	0.3
86.32662	0.3
111.00906	0.5
125.75713	0.3
191.06407	0.3
274.56165	0.3
346.56348	0.4
359.25980	1.7
377.26953	3.0
421.25955	15.1
422.26242	1.6
423.29309	0.6
427.62085	0.4
440.32626	0.5
460.15250	0.3
484.31299	1.0
485.29282	2.4
485.33957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79535	0.3
57.03448	0.5
58.00589	0.3
59.01377	3.1
61.98833	23.5
67.05532	1.3
69.03457	3.9
69.47359	3.2
71.01380	2.2
73.02947	1.1
81.03468	1.2
83.01390	1.7
85.02949	1.8
87.00879	0.6
89.02455	0.5
93.03457	0.4
95.01392	2.1
95.05036	2.5
96.96045	0.3
97.02963	3.3
97.06644	0.3
98.19884	0.5
99.00889	0.4
99.04533	0.7
101.02457	1.5
104.81194	0.3
107.01398	1.0
108.02191	1.6
109.02981	1.2
109.06596	0.4
111.00896	0.4
113.02484	1.1
113.06107	0.4
121.02951	0.9
123.00899	9.4
123.04553	0.7
124.01686	21.9
125.02467	57.3
126.02805	1.7
133.02994	0.3
135.08208	0.6
136.01692	0.7
137.02486	4.0
137.06097	0.3
138.03294	0.6
139.00395	0.6
139.04033	5.7
149.02449	0.6
149.99606	36.6
151.00429	3.3
151.04015	0.8
152.01149	1.2
153.01912	0.6
161.04591	0.4
165.01991	0.8
167.03528	0.7
168.00658	63.3
169.01419	7.7
171.06685	0.8
171.11607	0.4
183.03020	0.4
190.96785	0.4
202.02722	1.4
269.06668	0.5
293.18506	0.5
313.05698	3.7
327.28076	0.3
331.06888	0.4
371.12091	0.3
467.11731	1.5
485.13028	100.0
485.19983	8.9
486.13376	9.2
486.20480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64231	1.1
55.01884	3.0
57.03442	3.7
58.00591	3.0
59.01378	100.0
60.01713	1.4
61.98836	18.6
69.03460	2.7
69.70996	7.0
69.71397	2.2
70.28153	1.2
71.01385	54.1
72.99312	3.5
73.02949	31.8
75.00874	1.9
75.08137	1.1
76.64841	1.1
78.95865	1.2
80.91688	15.7
81.03426	1.2
83.01379	10.4
83.05025	1.4
85.02958	27.7
85.06596	18.5
86.03283	1.3
87.00861	4.6
88.98801	1.7
89.02452	32.3
93.03475	2.6
95.01395	6.2
96.96009	5.4
96.96995	1.9
97.02948	3.5
99.00893	3.7
99.04527	2.6
101.02460	42.9
103.04010	4.7
105.05585	2.6
107.01408	3.1
108.02203	3.6
109.02943	3.5
111.00877	4.6
112.10513	1.2
113.02472	22.5
113.06084	4.5
115.04032	6.8
117.01988	1.2
119.03500	9.1
119.05058	1.2
122.47781	1.4
123.00905	6.0
124.01719	1.5
125.01248	1.2
125.01409	1.4
125.02455	21.5
126.02785	2.5
127.02885	1.3
127.04035	6.0
129.05585	1.3
131.03450	3.6
133.05089	25.2
133.06584	2.3
135.04500	1.4
139.00433	7.4
139.04037	9.2
140.01155	3.6
141.00768	1.6
141.01874	1.6
143.03471	4.5
147.04494	3.3
149.04585	3.5
149.06039	1.8
150.54472	1.4
151.00464	1.9
151.06136	11.9
152.01086	2.5
153.01915	3.0
154.02725	2.9
155.03394	1.3
157.05070	2.8
159.06598	3.0
161.04593	12.2
161.05933	2.4
162.05038	1.3
163.04031	1.6
168.00667	2.7
169.01457	14.4
170.01819	1.8
171.01923	3.5
175.06125	19.1
175.07542	1.1
177.05557	2.0
179.05591	4.6
183.02950	2.6
189.05571	4.0
189.07649	2.7
191.05566	1.9
193.07181	2.0
203.03474	1.8
205.05070	2.5
205.07123	2.6
211.02513	1.7
217.07108	4.6
221.04558	10.8
221.06523	1.9
239.58015	1.3
243.06563	3.1
249.04018	1.3
249.09717	18.4
263.05453	1.4
267.10791	9.8
271.04675	2.0
293.16003	9.1
295.10342	83.2
296.10675	5.0
300.99835	2.1
309.11887	10.7
313.05722	1.7
313.11407	15.2
315.06085	2.0
329.07849	1.3
337.02179	1.6
355.12482	20.6
356.12634	1.4
393.13901	2.0
425.20187	6.1
441.13995	3.6
453.15735	1.8
485.12006	44.7
486.12436	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11892	0.2
58.27106	0.2
59.01380	0.3
61.98825	1.1
62.17146	0.2
70.80602	0.4
70.80965	0.7
71.72569	0.2
78.95905	18.1
85.60536	0.3
87.00881	0.3
96.96982	1.2
125.02440	0.3
134.98541	0.2
137.06099	0.7
150.98039	0.5
152.99603	30.6
153.99940	0.6
171.00697	1.5
211.79344	0.3
227.03271	4.6
237.22273	0.4
245.04372	0.9
255.23274	100.0
255.68413	0.2
256.23608	8.1
391.22528	0.7
439.32394	0.3
445.88803	0.3
451.31989	0.3
483.27185	65.1
484.27481	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	484.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.2
59.01377	3.4
60.01715	0.2
61.98831	100.0
67.46709	0.2
69.66779	0.7
69.67207	0.5
71.01392	1.0
73.02934	0.4
78.95926	0.2
83.01419	0.3
85.02995	0.5
87.00876	0.3
89.02477	0.5
93.03486	0.5
95.01388	0.2
96.96017	0.2
97.23185	0.2
99.00902	0.2
101.02467	0.7
107.01433	0.3
111.00932	0.3
113.02470	0.7
123.00895	0.9
123.04622	0.2
124.01573	0.2
125.02469	2.2
126.02866	0.3
131.03471	0.2
135.04561	0.2
137.02501	0.8
139.00421	0.3
140.00853	0.2
149.99634	0.3
151.00401	0.7
151.07677	0.5
155.95213	0.2
161.04587	0.3
168.00700	0.7
169.01430	1.8
170.01807	0.2
173.04567	0.2
177.01933	1.3
179.03572	0.3
190.90649	0.2
202.32573	0.2
203.12930	0.5
313.05588	0.2
314.99786	0.2
365.18362	0.5
425.57339	0.2
484.19193	4.9
484.33844	0.3
485.20261	4.8
491.34607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	11.6
59.01372	4.6
61.98830	20.4
66.03516	0.7
69.59896	3.8
69.60315	1.7
70.02964	1.6
71.01379	3.7
72.00904	1.7
73.02943	1.4
74.02480	21.4
74.77819	0.6
78.09767	0.7
81.04572	1.7
82.02990	2.4
84.04563	0.9
85.02964	2.0
85.25074	0.7
86.02490	8.9
86.06126	1.2
86.99106	1.9
87.05640	5.3
89.02436	0.9
90.00204	1.7
94.18824	0.6
97.04091	2.0
98.19852	1.3
99.05659	21.2
101.02487	3.3
101.07224	2.5
102.05640	2.8
107.06158	1.7
109.04098	2.1
109.07744	0.9
111.05694	1.8
112.04037	1.9
113.02462	1.9
113.03574	0.9
116.01772	1.8
120.01316	1.2
123.05669	2.9
123.08183	1.8
124.04020	1.1
125.02495	1.1
125.03601	1.9
127.05138	3.3
128.03557	51.9
129.03903	1.8
129.99699	1.1
131.04642	1.8
135.05658	6.3
137.07220	1.9
141.06706	4.8
143.04643	73.8
145.06195	2.9
146.04623	6.3
153.06706	5.1
155.08357	1.4
160.00754	22.1
161.04620	0.8
166.09877	3.1
167.04671	5.4
167.08289	2.9
170.03329	1.2
171.03979	1.1
171.07790	0.8
177.03389	7.5
179.04634	15.7
181.06192	2.0
185.05685	3.1
192.07797	1.6
197.05701	2.9
198.08829	0.8
210.08847	12.4
210.10721	1.0
213.03239	1.1
228.09840	0.8
231.04488	1.6
242.07780	1.8
254.07809	24.4
255.08067	1.0
272.08862	40.5
273.09198	2.2
282.99512	0.7
288.06625	14.1
291.18182	2.4
292.18420	4.3
306.07657	100.0
307.07971	3.6
336.62253	0.6
423.22305	0.8
424.22705	6.6
464.65088	0.7
484.21115	6.2
485.20047	0.9
485.27783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
57.03452	2.5
58.00563	1.1
58.02971	3.4
59.01085	1.6
59.01378	29.3
61.98830	32.8
65.93285	0.9
68.90968	0.9
69.44616	5.4
69.45048	3.7
71.01386	35.2
72.99292	1.1
73.02579	1.7
73.02955	17.4
74.02485	6.7
75.00887	1.8
75.63679	1.0
78.95908	5.5
83.01392	7.0
85.02466	0.7
85.02956	19.4
86.02476	3.2
87.00876	2.8
89.02443	6.6
95.01389	2.5
96.96041	1.3
97.02967	1.8
97.06618	1.3
99.00887	7.6
99.05651	5.0
101.02457	39.3
101.07256	1.0
102.02777	1.5
111.00906	2.2
113.02459	15.5
119.03500	1.1
120.99645	2.4
123.00913	4.6
123.08189	1.7
125.02484	6.8
125.03253	1.1
127.05167	1.4
128.03557	15.9
131.03505	3.7
131.64856	0.9
135.05630	2.0
138.03273	1.8
139.04054	2.3
141.06700	1.9
143.03566	2.5
143.04637	20.0
145.06215	1.2
146.04623	2.3
149.04512	1.0
151.00446	1.3
151.07677	1.5
152.99573	8.5
153.01776	1.3
153.06694	1.3
155.19049	0.9
155.52081	0.9
159.03023	2.7
160.00742	7.1
161.04582	11.1
167.04692	1.2
168.00594	1.2
169.01410	3.0
170.03297	0.9
177.03395	3.2
179.04715	4.6
193.88969	0.9
197.05804	1.3
199.13422	2.6
210.08801	3.9
211.02309	1.0
220.18321	0.9
230.85495	0.9
254.07784	5.8
272.08908	12.3
288.06519	3.7
291.18124	52.6
292.18402	4.2
306.07623	28.2
321.20331	1.1
327.76251	1.1
331.06708	1.3
423.22366	100.0
424.22754	11.3
475.12628	1.1
483.07758	2.2
483.18015	2.1
483.23721	3.6
483.30148	3.1
484.20053	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53035	0.2
51.17303	0.2
52.82534	0.3
59.01366	0.4
61.98821	0.3
65.89494	0.2
71.40698	0.5
78.95908	7.3
96.96973	0.8
137.06073	0.3
152.99599	17.1
171.00674	1.0
200.23801	0.3
227.03278	3.6
237.22125	0.3
245.04379	0.9
255.23280	100.0
256.23624	8.0
264.06943	0.3
298.05859	0.3
483.27237	38.1
484.27560	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	483.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.3
57.03452	2.6
58.00595	1.0
59.01381	58.7
61.98835	4.7
68.39680	0.4
69.63792	3.0
69.93317	0.4
71.01386	27.6
72.99304	1.2
73.02954	12.0
75.00872	0.6
83.01396	6.4
84.42513	0.4
85.02960	17.2
86.00088	0.9
87.00899	1.6
89.02453	3.2
92.94891	0.5
95.01390	1.9
97.02971	0.6
99.00894	5.5
101.02455	35.1
102.02748	0.5
111.00905	1.4
113.02465	13.7
123.00908	1.1
125.02471	3.1
129.01932	1.2
131.03520	34.5
132.03830	0.7
140.49940	0.5
143.03514	1.4
143.65968	0.5
149.04544	0.5
151.00450	0.6
153.05484	0.5
159.02992	2.2
161.04568	11.2
168.00652	1.0
169.01419	2.1
199.13315	0.8
211.02373	0.9
271.04611	0.7
291.18121	100.0
292.18475	4.8
423.22360	34.2
424.22681	2.4
483.18655	5.4
484.18759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1871
Annotation	Globulusin A
Peak:m/z	Relative Intensity
55.01881	0.4
57.03440	0.3
59.01126	0.2
59.01383	2.5
61.98819	0.5
67.01889	0.8
68.50167	0.2
68.99812	0.2
69.03460	0.4
69.41384	1.8
71.01389	3.0
72.99300	0.4
73.02960	1.2
74.08997	0.1
75.00849	0.2
79.01901	1.0
83.01382	1.1
85.02963	1.6
87.00890	0.3
88.29919	0.2
89.02453	0.3
95.01402	1.8
97.02964	0.8
98.23170	0.2
99.00883	0.5
101.02446	2.1
107.01396	3.0
108.02221	0.2
109.02965	0.4
110.00077	0.2
111.00901	2.0
113.02441	1.2
123.00900	12.5
124.01751	0.9
125.02461	12.9
126.02812	0.3
127.00364	0.7
136.98795	1.1
137.02455	0.4
139.00397	4.0
140.01198	3.2
140.79854	0.2
141.01959	2.0
145.49864	0.2
151.00389	10.0
152.00887	0.4
153.01939	0.7
163.04092	0.2
167.03583	0.2
167.99327	0.3
168.00655	3.4
169.01442	16.9
170.01782	0.9
177.03970	0.2
179.03493	0.2
180.85541	0.2
181.05022	0.4
191.03503	0.2
209.04414	0.2
211.02463	0.8
253.03473	0.4
271.04544	0.3
299.83502	0.2
299.92325	0.2
313.05588	1.7
483.18689	100.0
484.19073	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	483.1873
Annotation	Globulusin A
Peak:m/z	Relative Intensity
55.01870	0.5
57.03448	0.3
59.01385	1.7
61.98828	0.8
65.00324	0.4
67.01890	0.9
68.99833	0.3
69.03474	0.5
69.57830	1.7
69.58236	0.3
71.01389	2.9
72.15765	0.2
72.99333	0.3
73.02959	1.2
79.01899	0.8
80.02654	0.2
81.03464	0.2
83.01405	1.0
85.02963	1.7
87.00901	0.5
89.02448	0.4
90.37783	0.2
95.00874	0.2
95.01391	1.3
97.02950	0.6
99.00887	0.4
101.02460	2.1
107.01410	3.1
109.02966	0.3
110.00099	0.3
111.00906	2.0
113.02467	1.3
123.00902	13.1
124.01740	1.6
125.02467	12.1
126.02773	0.2
127.00385	0.7
135.04559	0.2
136.98810	1.4
139.00398	3.6
140.01196	3.6
141.01976	2.1
151.00394	9.6
152.00772	0.2
153.01947	0.8
154.99770	0.2
163.04028	0.2
165.01843	0.2
168.00673	4.0
169.01442	16.6
170.01749	0.4
179.03490	0.2
181.05035	0.3
211.02434	1.6
253.03648	0.2
271.04660	1.2
313.05707	1.2
483.18713	100.0
484.19077	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	483.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
59.01383	3.5
61.98835	1.2
65.00331	0.3
67.01900	1.1
68.99802	0.3
69.03461	0.7
71.01388	3.4
71.06764	0.3
71.07094	0.3
72.99300	0.6
73.02947	0.7
75.00882	0.4
79.01900	1.1
81.03461	0.2
83.01387	0.8
85.02966	1.4
87.00916	0.4
89.02464	1.3
95.01412	1.8
95.80403	0.2
97.02954	0.9
98.20571	0.2
99.00876	0.6
101.02461	1.9
107.01398	3.4
109.02996	0.3
110.00111	0.5
111.00899	2.6
113.02464	1.0
119.03529	0.2
123.00903	15.0
124.01743	1.3
125.02466	16.5
126.02803	0.5
127.00374	1.0
129.09367	0.2
131.90381	0.2
136.98833	1.5
137.02443	0.4
139.00400	4.4
139.04047	0.2
140.01184	3.8
141.01965	1.9
150.93649	0.2
151.00400	9.6
151.04024	0.2
152.00758	0.4
153.01945	0.7
154.99826	0.3
159.03098	0.3
163.03993	0.4
166.99855	0.3
167.03586	0.2
168.00676	4.2
169.01448	23.3
170.01825	0.7
177.04066	2.7
179.03490	0.2
181.04932	0.2
211.02492	2.6
241.03473	0.2
253.03546	0.3
257.06931	0.2
267.18057	0.2
270.03796	0.2
271.04709	1.8
300.02454	0.3
301.03549	0.3
313.05649	1.0
329.05124	0.7
413.14322	0.2
447.09464	0.5
483.18710	100.0
484.19058	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49001	0.2
53.52316	0.2
55.01861	0.5
57.03431	0.4
59.01117	0.3
59.01378	3.9
61.98831	9.5
63.99256	0.5
65.00301	0.2
67.01897	0.6
68.99814	0.4
69.03452	0.5
69.51766	2.1
71.01389	3.9
72.99307	0.6
73.02955	1.7
77.25330	0.2
79.01885	0.9
83.01387	1.2
85.02956	2.0
87.00871	0.5
88.98773	0.2
89.02448	0.5
93.03466	0.5
95.01400	1.5
96.99296	0.3
97.02962	0.7
97.06564	0.2
98.19811	0.4
99.00876	0.6
101.02454	2.7
107.01411	2.7
108.02213	0.5
109.02990	0.6
110.00116	0.6
111.00880	1.9
111.11860	0.2
113.02477	1.7
122.80037	0.2
123.00905	13.4
123.04494	0.3
123.24276	0.2
124.01788	0.4
125.02462	13.8
126.02791	0.3
127.00379	0.9
136.98776	1.2
137.02473	0.8
139.00388	4.0
140.01193	2.8
141.01968	2.3
143.04626	0.4
145.02962	0.3
149.02469	0.4
151.00394	9.7
151.03972	0.4
151.07674	1.7
152.00996	0.5
153.01915	1.0
161.02489	0.3
161.04497	0.3
163.04059	0.4
168.00688	3.3
169.01440	18.8
170.01770	0.8
181.05086	0.4
193.04976	0.3
211.02434	1.4
253.03543	0.5
260.05466	0.2
271.04666	0.8
277.67709	0.2
306.07703	0.8
313.05655	1.5
387.49493	0.2
396.07724	0.6
423.16260	0.4
426.08557	0.2
483.18698	100.0
484.19089	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	483.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86792	0.8
55.01871	3.0
57.03430	2.9
58.00578	1.1
59.01380	75.0
61.98835	5.4
63.09658	0.7
67.01881	0.8
69.03452	3.7
70.45009	3.0
71.01385	71.9
71.05015	3.1
72.01731	1.1
72.99313	1.8
73.02954	15.3
75.00884	1.7
81.03445	1.6
83.01390	4.8
85.02960	22.7
87.00885	1.5
89.01898	1.8
89.02453	33.5
95.01397	4.3
97.02961	5.4
99.00892	8.0
101.02459	33.9
107.01380	5.3
111.00891	3.1
113.02462	22.4
119.03516	1.9
123.00907	7.1
124.01657	2.0
125.02466	87.9
126.02801	4.5
127.00430	1.2
131.03522	13.7
136.98772	1.0
137.02478	1.0
138.64684	1.0
139.00374	5.6
139.03989	1.0
140.01239	3.9
142.13406	0.8
143.03572	5.9
143.04538	1.3
147.06653	8.6
149.04588	10.6
151.00415	4.3
152.00754	1.1
153.01912	1.0
154.02722	2.5
155.03505	0.9
159.03046	4.1
161.04575	55.0
162.04916	1.7
167.03535	0.8
168.00667	5.9
169.01442	100.0
170.01805	4.9
181.01459	0.9
183.02840	1.1
193.01424	2.6
201.07715	3.1
205.03406	1.0
211.02477	5.6
212.02853	1.0
233.06647	1.4
241.03522	1.1
271.04675	4.3
272.04834	1.2
287.07617	1.5
291.10870	40.6
292.11142	2.1
293.08786	29.7
294.08963	1.1
297.06168	1.2
300.99850	0.9
313.05670	12.4
331.06772	6.9
341.59744	0.9
420.12280	22.3
421.12485	2.6
423.15103	36.9
424.15512	4.4
439.08859	3.5
483.07782	21.4
483.11536	8.2
484.08215	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	483.1862
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
55.01884	0.9
57.03436	1.2
59.01380	21.9
59.55395	0.4
61.98833	7.7
69.03429	0.6
69.53149	4.8
71.01385	13.4
73.02940	5.1
73.87708	0.5
75.77828	0.4
77.78011	0.4
78.95876	0.5
81.03472	1.4
83.01395	2.7
85.02956	9.9
87.00887	0.8
87.04514	0.5
89.02482	3.0
93.03481	0.9
95.01391	4.3
97.02934	0.7
99.00903	2.7
101.02459	12.2
102.08995	0.5
107.82593	0.5
108.02189	55.2
109.02972	64.9
110.03334	1.6
111.00896	0.7
113.02464	5.8
121.03018	0.9
123.00926	2.9
123.04508	0.8
125.02457	1.4
129.37785	0.4
131.03525	7.7
135.04501	0.8
137.02469	0.5
143.03513	0.7
151.04028	1.4
151.07607	0.6
152.01175	60.2
153.01964	40.3
153.03264	1.0
154.02280	1.1
159.02995	0.7
161.04596	4.1
163.04042	1.0
165.01872	1.1
165.60858	0.5
169.01414	0.5
202.60286	0.4
213.91745	0.6
246.85078	0.5
291.18143	18.3
292.18509	0.7
297.06207	1.4
306.07639	0.8
315.07263	7.2
331.06854	0.6
351.18082	1.3
357.08282	12.6
416.24323	0.5
423.22394	16.4
424.22760	0.9
465.17667	3.0
483.18686	100.0
484.18973	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	483.1143
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
57.03461	0.6
59.01376	7.0
60.42126	0.4
61.98825	1.6
65.00327	0.4
67.01891	1.3
68.99808	0.5
69.03445	1.0
69.52443	4.1
71.01387	5.6
72.99323	0.5
73.02971	2.1
74.99100	0.6
78.95912	8.7
79.01906	0.9
79.95741	1.2
83.01405	1.4
85.02961	2.0
85.06615	1.1
87.00904	0.7
87.04532	0.5
89.02460	2.2
95.01396	1.6
96.96024	44.2
96.96976	19.4
97.02944	1.0
98.20694	0.4
99.00912	0.5
101.02461	3.8
107.01401	6.0
108.02206	0.7
109.02947	1.2
110.00090	1.0
111.00909	6.6
111.08192	1.3
113.02470	2.5
113.06104	0.4
119.03528	0.5
123.00899	10.9
124.01691	2.4
125.02462	34.4
126.02805	0.9
127.00414	2.1
136.98848	3.4
137.02463	0.8
138.02025	0.8
139.00391	21.4
139.04031	1.6
140.01184	10.7
141.01915	1.8
142.39958	0.4
143.03476	0.4
149.08231	0.7
151.00378	6.5
152.01216	0.9
153.01945	2.0
154.02736	17.7
154.99849	0.7
155.03531	3.8
161.04587	0.9
165.01958	0.6
167.03513	0.4
168.00662	13.3
169.01440	42.8
169.05089	4.4
170.01804	1.2
173.08179	0.9
181.01515	0.6
183.03006	4.8
199.11891	0.4
211.02449	2.3
221.06763	0.5
241.03632	0.5
253.03568	0.5
271.04547	1.1
293.12439	2.8
297.06128	4.1
311.13489	1.5
313.05670	12.6
314.06110	0.5
315.06693	0.4
319.85080	0.4
327.07208	1.7
331.06619	0.6
353.14490	0.6
359.12369	0.5
439.08881	0.5
468.09146	1.3
483.11447	100.0
484.11835	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	483.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	16.7
59.01090	1.3
59.01382	22.5
61.98838	8.8
69.03467	1.5
69.34383	4.1
69.34810	6.0
71.01378	8.3
72.17286	0.9
72.99258	1.1
73.02943	5.4
74.99072	1.1
83.01389	1.5
85.02959	2.9
87.00870	2.2
89.02453	2.8
94.98074	1.1
95.01444	1.0
96.96024	8.5
98.19904	2.0
99.04524	6.9
101.02456	7.6
107.01408	1.7
108.02187	3.4
109.02997	1.7
113.02480	2.3
114.93471	1.0
116.92839	1.6
123.00929	5.5
123.04507	1.6
124.01727	1.1
125.02481	12.0
136.99155	1.3
137.02449	1.5
139.00398	2.2
139.04028	2.0
140.01151	1.7
141.01880	0.9
149.07237	1.3
151.00378	3.3
152.01144	3.5
152.03455	1.1
153.01790	1.6
154.01614	1.1
155.02661	1.0
161.04576	10.6
167.03297	1.6
168.00665	3.0
169.01450	12.5
176.05914	10.2
177.06714	15.4
181.05029	1.0
183.03020	2.2
188.05959	1.9
189.06706	2.0
191.08293	28.5
192.08533	1.9
201.06616	1.1
202.07492	1.0
203.08281	6.0
205.06197	36.7
206.06570	1.8
206.22301	0.9
211.02505	4.1
215.08229	1.7
216.05402	1.0
219.07755	44.5
220.08153	2.3
227.08228	1.4
231.07738	5.0
233.12187	3.3
243.07701	3.0
245.09247	6.1
247.07266	1.3
249.06171	1.8
259.07233	2.5
261.08838	3.0
271.04633	4.9
273.08679	1.8
275.10239	1.6
293.11520	2.3
303.09857	1.5
313.05777	1.4
315.06384	1.0
318.02939	1.7
321.10931	26.5
321.19086	1.1
322.11151	1.9
339.11975	100.0
340.12219	7.6
381.13034	44.7
382.13321	3.4
421.16153	6.4
439.11172	1.9
483.10065	15.2
483.18027	38.1
483.25043	3.5
484.10226	1.5
484.18573	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	483.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60566	0.2
55.01881	0.4
57.03449	0.7
59.01379	3.0
61.98836	1.5
65.00316	0.3
67.01881	1.1
68.99805	0.5
69.03438	0.5
69.74157	1.7
71.01388	4.6
72.99308	0.8
73.02947	0.9
75.00840	0.3
76.28763	0.3
78.91882	1.0
79.01897	1.0
80.91708	1.6
81.03461	0.6
83.01393	1.2
85.02958	2.1
87.00883	0.5
89.02451	1.1
95.01402	2.1
96.99343	0.4
97.02961	1.5
99.00896	0.8
101.02464	3.0
106.00589	0.3
107.01405	7.6
108.02222	0.4
109.02955	0.8
110.00104	0.8
111.00903	5.8
112.98845	0.3
113.02477	1.8
113.35220	0.3
121.37543	0.3
123.00911	14.1
123.04538	0.5
124.01697	3.6
125.02470	35.5
126.02798	1.1
127.00386	1.2
131.03543	0.4
134.88559	0.3
136.98869	1.8
137.02475	1.3
137.99521	0.4
139.00401	23.4
139.04033	2.8
140.01189	13.6
141.01993	4.0
149.02478	0.6
149.99638	1.7
151.00403	7.6
151.04033	0.5
152.01108	0.8
153.01973	4.0
153.05634	0.3
154.02757	15.0
154.99864	0.5
155.03543	5.2
157.08678	0.3
161.04561	1.0
163.04079	0.4
165.01955	0.5
165.05638	0.4
166.99921	0.8
167.03528	1.1
168.00674	12.1
168.04341	0.4
169.01456	37.7
169.05104	6.6
170.01816	1.3
173.07225	0.4
179.03539	0.3
181.01498	0.5
182.02245	0.5
183.03015	10.5
184.03523	0.4
190.02885	0.3
193.01483	0.6
197.04607	0.9
205.06219	1.1
209.04524	0.3
210.01810	0.5
211.02455	1.6
219.07784	1.0
225.04083	1.6
241.03514	0.8
246.05527	0.3
253.03598	0.5
255.05057	0.3
285.06113	1.8
291.14447	1.5
297.06131	1.8
312.05130	0.4
312.93561	0.2
313.05701	6.6
314.06152	0.7
321.11005	1.1
327.07199	4.3
328.07571	0.3
331.06760	3.4
331.10327	0.4
332.78448	0.3
339.12030	1.6
381.13055	0.3
423.18845	0.5
439.08762	0.7
452.37390	0.3
465.06760	0.6
468.09268	0.3
483.11618	100.0
484.11954	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	483.1143
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
50.12874	0.5
52.79323	0.4
59.01359	1.7
61.98805	0.4
63.98473	0.4
65.00320	0.6
67.01883	0.8
68.77423	0.4
68.99809	0.4
69.03432	0.6
69.53501	0.4
70.49908	0.4
71.01382	3.6
71.23799	1.1
71.24215	0.3
72.38965	0.4
72.99313	0.9
73.02942	0.6
74.25459	0.4
79.01897	0.6
83.01383	1.7
85.02946	1.8
87.00896	0.7
92.78871	0.4
95.01390	1.9
97.02947	1.3
99.00876	0.5
99.20322	0.4
101.02440	1.4
107.01396	7.9
110.00089	1.3
111.00895	4.5
113.02462	1.6
123.00896	8.8
124.01704	3.2
125.02464	49.7
126.02792	1.6
126.33343	0.4
127.00410	2.1
136.98842	3.5
137.02440	0.9
137.99557	0.3
139.00389	12.1
139.04018	1.5
140.01181	10.5
141.01886	1.5
151.00386	7.0
152.01132	0.5
153.01949	8.5
154.02737	7.5
154.99931	0.8
155.03548	3.6
165.01913	0.5
167.03545	2.1
168.00658	13.0
168.04301	1.8
168.80035	0.4
169.01447	60.5
169.05038	2.9
170.01793	1.7
179.03481	0.7
181.01453	0.4
183.03017	3.0
189.17143	0.4
193.01501	0.6
201.62744	0.4
211.02490	3.6
223.02505	0.5
241.03571	1.4
267.10754	0.4
271.04504	2.2
297.06216	5.2
313.05658	13.5
313.09186	0.7
314.06128	0.7
327.07330	1.5
330.20444	0.4
331.06879	1.8
367.01242	0.4
423.18771	0.5
439.09341	0.9
451.08664	0.6
483.11707	100.0
484.11972	12.3
484.18369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01913	0.5
59.01385	4.0
61.98829	1.4
64.54688	0.4
65.00333	1.1
67.01893	1.0
67.09206	0.4
68.30619	0.4
68.99828	0.4
69.03454	1.4
69.54420	2.1
69.54852	1.7
71.01388	6.7
72.99316	0.8
73.02961	1.3
78.95915	1.7
79.01897	0.7
81.03430	0.9
83.01385	1.7
85.02961	2.3
87.00901	0.9
89.02463	1.5
93.03455	0.7
95.01416	2.3
97.02964	2.0
99.00893	0.9
99.10467	0.5
101.02451	3.1
101.56088	0.5
104.13316	0.4
106.70784	0.5
107.01410	9.9
108.02196	0.6
109.02983	0.9
110.83136	0.5
111.00908	5.4
113.02450	2.9
119.03490	0.6
121.02953	1.2
123.00896	9.7
124.01688	6.3
125.02463	81.6
126.02782	2.6
127.00398	1.6
136.98792	3.1
137.02446	1.6
137.99422	0.4
138.03224	1.4
139.00395	13.4
139.04012	2.7
140.01190	9.3
141.01926	1.6
146.64381	0.5
149.02397	0.6
149.99594	0.6
151.00398	9.7
152.01085	0.9
153.01991	7.4
154.02739	5.1
154.99927	0.6
155.03534	2.7
158.31346	0.5
161.02492	0.6
161.04536	0.9
163.84882	0.5
164.01332	0.5
165.02032	1.1
166.99913	0.9
167.03484	2.6
168.00653	14.9
168.04250	2.7
169.01443	100.0
169.05063	9.4
170.01761	3.9
177.01910	0.9
179.05646	0.5
181.01375	0.6
183.03036	4.0
193.01430	1.7
211.02490	13.8
212.02829	1.0
223.02484	0.8
241.03490	2.1
253.03473	1.0
267.10733	1.5
271.04596	11.0
272.04904	0.8
287.07718	1.6
287.31778	0.6
291.14453	1.3
297.06158	4.8
313.05652	22.5
314.05984	1.7
327.07205	1.8
331.06766	9.2
331.10376	0.7
367.06030	0.4
423.18732	1.1
439.08655	7.7
440.09201	0.9
451.08926	0.6
465.06479	0.6
483.07245	21.8
483.11392	68.1
484.08002	3.4
484.11597	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	483.078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97356	0.5
57.48857	0.4
57.62896	0.4
59.01383	0.6
67.01903	0.7
68.82697	0.5
69.03471	1.6
69.50797	2.5
69.51223	1.7
71.01385	1.2
76.37877	0.4
79.01921	0.5
81.03474	1.0
83.01405	1.2
85.02971	0.8
95.01402	1.6
97.02980	1.9
98.20674	0.9
101.02497	0.6
107.01407	4.6
109.02966	0.6
111.00893	0.7
113.02489	0.9
123.00906	8.9
123.01726	0.8
123.04559	0.5
124.01682	17.3
124.02604	0.9
125.02464	68.9
126.02789	2.3
136.98875	0.9
137.02483	1.5
139.00404	2.9
139.04036	0.7
140.01184	1.9
141.01991	1.1
149.99602	28.2
151.00404	4.6
153.02005	0.6
154.02745	0.9
157.08594	0.5
165.01994	0.5
167.03526	2.1
168.00658	60.6
169.01445	26.5
170.01787	1.3
179.03548	0.6
183.02921	1.1
193.98633	1.0
194.99361	2.8
211.02451	1.8
241.03716	0.6
271.04529	0.8
287.07706	1.2
297.06464	0.8
301.46149	0.4
302.90436	0.5
313.05640	11.2
314.05911	1.2
331.06702	56.7
332.07117	4.2
439.08743	8.9
440.08881	1.0
465.06516	1.2
483.07593	100.0
484.07831	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	483.0783
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.42322	0.5
52.24594	0.5
52.86305	0.5
53.12923	0.5
59.01380	3.4
67.01910	0.7
69.03474	1.2
71.01379	2.8
71.71350	0.8
73.02984	0.5
75.00903	0.6
80.38941	0.4
81.03477	0.9
83.01413	1.3
85.02982	1.8
87.00910	0.6
89.02475	1.4
94.76922	0.4
95.01402	1.7
97.02993	1.6
101.02429	1.2
107.01407	4.9
109.02995	0.6
111.00904	1.4
112.98839	1.6
113.02476	2.1
123.00915	5.1
124.01700	4.9
125.02465	100.0
126.02795	2.4
136.98842	0.6
137.02461	1.2
139.00381	1.4
139.04047	1.5
140.01187	2.1
141.02014	1.0
145.01410	2.7
145.98161	0.5
149.99602	4.3
151.00410	3.5
161.04539	0.5
167.03490	1.3
168.00653	17.5
169.01440	92.1
169.05080	1.7
170.01854	2.3
181.01437	0.9
183.02972	0.5
193.01472	3.4
211.02477	14.1
241.03502	1.1
250.79146	0.6
271.04553	11.9
272.04871	0.9
287.07697	8.7
291.10834	0.9
300.99988	0.6
309.11743	1.0
313.05658	13.5
314.05933	0.8
331.06702	29.3
332.06946	1.7
366.41318	0.5
423.05478	2.0
423.14505	0.6
439.08810	32.3
440.09048	2.9
451.08914	0.8
465.06210	1.1
483.07535	62.2
484.08051	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	483.0781
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01402	1.0
67.31267	0.4
69.03463	0.9
69.73769	3.1
71.01397	1.3
81.03485	0.5
95.01427	0.7
97.02976	1.0
98.20646	0.4
101.02483	0.7
106.34633	0.4
107.01391	4.4
111.00916	0.5
113.02477	0.7
123.00887	2.8
124.01694	3.1
125.02467	100.0
126.02814	2.6
134.16510	0.4
136.98769	0.4
139.00415	1.5
139.04044	2.1
140.01147	1.2
143.50517	0.5
146.32623	0.4
151.00381	2.2
153.01913	0.4
154.91547	0.4
166.99879	0.6
167.03357	0.5
168.00670	7.7
169.01448	99.6
169.04953	2.8
170.01790	2.6
193.01436	2.1
194.99394	0.7
211.02507	10.0
212.02689	0.7
241.03615	0.6
271.04596	11.0
272.04819	0.5
287.07736	17.6
288.08078	0.8
305.31369	0.4
313.02136	0.8
313.05652	13.7
314.05930	0.6
331.06729	32.4
331.10333	1.2
332.07047	2.0
352.08453	0.6
377.20084	0.4
439.08823	54.0
440.09097	4.0
465.06705	2.1
483.07486	30.1
484.07980	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10097	0.5
57.03442	1.9
59.01388	0.6
61.98826	1.5
67.01888	1.2
69.03466	0.6
71.05028	21.7
73.02949	1.1
81.03474	4.8
83.05039	7.2
85.02964	8.5
97.06602	4.7
98.00116	1.1
98.20628	1.0
99.00891	1.6
100.94161	0.5
109.02954	0.5
109.06599	1.7
111.00901	5.9
123.08197	0.9
125.02464	50.2
125.09766	2.0
126.02812	0.6
127.03962	0.6
129.01942	3.6
133.63527	0.6
136.05328	1.7
151.07663	5.2
267.26926	5.1
322.70380	0.5
333.31744	0.8
351.32748	14.3
352.33176	1.4
393.29968	1.1
393.37469	4.6
394.30740	1.0
395.31686	100.0
396.32010	8.9
419.35361	1.4
421.33463	0.7
437.36444	1.5
481.35568	6.1
482.35507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
59.01378	3.5
61.98836	11.2
67.01884	0.4
69.03466	0.7
71.01389	3.8
71.64045	0.4
73.02959	0.7
75.00861	0.9
78.49265	0.4
79.01881	0.6
81.03462	0.6
83.01396	1.2
85.02961	2.0
87.00872	0.6
89.02469	2.3
95.01387	1.4
97.02944	0.8
99.00896	0.8
101.02454	3.6
105.05563	0.6
107.01404	3.5
110.00047	0.4
111.00889	1.7
113.02473	2.0
119.03513	0.5
123.00904	12.1
123.04453	0.4
124.01724	1.2
125.02470	27.3
126.02786	0.6
127.00433	0.7
136.98814	1.2
137.02415	0.6
139.00394	4.4
139.03978	0.4
140.01189	3.4
141.01904	1.6
151.00392	9.0
151.03920	0.5
153.01956	0.6
161.04506	0.5
163.04019	0.7
165.02010	0.4
166.99916	0.8
167.03555	0.8
168.00682	4.8
169.01448	38.6
170.01770	1.0
175.03957	0.5
179.03349	0.4
191.03456	0.5
193.01485	2.1
195.46606	0.3
209.04527	0.4
211.02480	6.2
223.02376	0.3
229.01404	0.5
247.02426	0.8
252.99663	0.4
253.03568	0.6
271.04596	5.9
272.10184	0.4
273.00366	0.6
275.01987	0.6
276.96127	0.4
287.07687	0.5
300.99887	1.0
313.05652	7.0
331.06552	1.8
343.26181	0.4
419.11960	100.0
420.12329	8.2
423.15073	0.5
439.08817	1.2
443.02155	0.4
482.09625	0.5
483.07391	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81050	0.6
56.81327	0.6
60.62597	0.6
65.95225	0.5
69.57020	0.5
70.52414	0.9
70.52808	1.2
74.82001	0.5
77.16964	0.5
78.95904	39.5
96.96981	3.0
99.15855	0.5
119.77226	0.5
147.90887	0.5
150.98021	0.6
152.99603	60.5
154.00017	0.8
157.79472	0.5
171.00664	18.2
171.72122	0.5
227.03259	4.7
245.04300	100.0
246.04642	4.3
253.21715	67.8
254.22037	6.6
327.54169	0.6
423.62210	0.6
469.68732	0.6
481.25684	56.6
482.26147	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	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84766	0.4
55.01872	0.7
57.03432	1.3
58.00584	1.4
59.01379	35.6
60.01738	0.4
61.98833	12.0
69.03445	1.3
71.01387	23.0
72.99310	3.3
73.02952	22.0
75.00859	1.1
81.03467	0.5
83.01399	1.5
85.02966	9.4
85.06580	0.5
86.00110	2.5
87.00883	12.5
87.04529	4.6
88.98802	0.8
89.02455	11.3
93.03450	1.1
95.01369	0.7
97.02956	1.3
98.20631	1.2
99.00891	0.8
99.04522	0.8
101.02459	26.1
102.02777	0.5
103.04019	9.6
107.01412	0.5
109.02940	0.9
113.02458	3.7
115.03257	0.8
115.04028	8.7
119.03507	4.3
123.00888	0.8
123.04455	0.4
125.02454	3.7
127.04058	0.4
127.11310	0.9
131.03522	14.2
134.37283	0.4
135.04497	0.7
137.02483	0.9
139.04054	0.4
139.11339	0.5
143.02380	1.0
143.03525	17.6
144.03867	0.6
145.05058	3.3
151.00404	1.0
155.03513	0.5
155.10800	3.3
156.11122	1.4
161.04619	0.9
163.04030	1.0
163.06146	16.4
167.03555	0.7
168.00621	0.4
169.01410	1.6
171.06720	0.6
171.10146	0.5
173.04614	2.5
173.11848	2.1
179.03435	0.6
179.14061	0.4
185.11783	0.6
185.89905	0.4
186.06480	0.4
190.16869	0.4
191.05753	0.7
199.09691	0.5
199.54102	0.5
205.07188	19.2
206.07545	0.6
211.02472	0.8
222.31430	0.4
225.46922	0.5
227.07149	1.7
255.02879	0.6
265.09152	1.2
271.02252	1.0
271.04758	0.6
275.01816	0.6
300.02765	1.9
300.99835	2.2
301.03552	1.5
351.12906	0.6
391.15076	0.6
423.75970	0.4
463.08893	1.1
481.22800	100.0
482.23160	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	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00551	0.6
55.01869	2.9
57.03438	2.2
58.00599	1.4
59.01379	73.3
61.98835	8.1
68.99829	0.8
69.03429	0.9
69.34035	0.8
71.01387	31.1
72.99304	1.2
73.02949	12.4
83.01384	7.2
85.02958	18.8
87.00877	1.2
89.02438	5.2
93.03465	0.7
94.21939	0.6
95.01394	2.8
97.02964	1.5
98.19881	1.1
99.00890	6.7
101.02456	34.3
111.00887	0.7
113.02472	15.6
119.03480	1.2
125.02447	2.6
129.01997	1.2
131.03522	47.0
132.03868	0.9
143.03531	1.4
152.01167	0.8
153.01915	0.7
159.03008	2.9
161.04568	13.6
169.01488	0.7
197.11771	0.7
201.15073	0.7
270.31595	0.6
289.16559	100.0
290.16968	6.4
307.11981	0.9
331.06653	1.5
335.66467	0.7
349.22394	2.0
421.20819	27.3
422.21118	1.8
481.17340	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	481.0989
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
59.01388	2.5
61.98844	3.3
67.83135	0.5
69.03464	2.4
69.41434	4.5
70.02522	0.4
71.01383	2.5
73.02962	0.5
79.01910	0.4
81.03461	1.1
83.01406	1.4
85.02982	0.8
87.00887	0.4
89.02460	1.1
91.01900	0.9
93.03462	0.4
95.01405	1.7
97.02951	1.9
101.02466	1.0
103.40643	0.4
104.27007	0.4
105.76865	0.4
107.01395	1.4
108.02194	1.7
109.02969	1.3
110.64558	0.4
111.00895	0.4
113.02473	0.7
121.03022	0.7
123.00903	5.8
123.04542	3.6
124.01685	17.0
125.02470	33.9
126.02812	1.0
136.01678	0.4
137.02464	2.3
139.04103	0.5
146.06677	0.4
149.04575	0.6
149.99612	30.8
151.00407	3.6
152.01213	2.4
153.01981	0.8
161.02550	0.4
166.99983	0.6
167.03523	12.7
168.00670	55.2
169.01460	6.1
179.03517	0.5
187.13393	0.7
193.01521	0.7
209.04634	0.4
211.02635	0.4
260.49100	0.5
269.06668	0.8
287.14838	0.5
296.05283	1.1
307.98666	0.4
311.07684	3.0
313.05615	2.6
331.06662	4.0
339.90707	0.4
463.08594	2.0
481.09848	100.0
482.10208	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	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01383	4.3
61.98833	12.2
69.03452	1.3
71.01392	5.1
73.02943	1.7
81.03452	1.5
83.01392	1.0
85.02962	3.5
87.00875	0.5
89.02467	1.1
89.47350	0.5
93.03450	1.0
93.06791	0.5
95.01392	1.9
97.02970	0.5
99.00891	1.0
101.02470	4.2
104.48222	0.4
108.02190	48.6
109.02978	42.4
109.03532	0.7
109.03769	0.9
110.03301	1.4
113.02454	1.9
119.03537	0.6
121.02960	1.0
123.00909	2.0
123.04576	0.6
125.02455	1.3
131.03506	1.0
135.00894	0.6
135.04568	0.6
137.02458	0.5
139.11316	1.2
151.04021	0.5
151.07587	0.5
152.01173	55.9
153.01964	23.5
153.11777	0.5
154.02280	1.0
161.04568	1.9
163.04004	1.0
165.01910	1.1
166.97643	0.4
183.10291	1.3
201.14969	0.6
218.05469	0.4
248.67134	0.4
289.16501	3.2
301.00345	0.6
315.07175	3.8
349.22275	1.3
372.08459	0.6
421.20795	2.1
481.17133	100.0
482.17487	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0986
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
54.58357	0.5
57.84309	0.4
59.01374	2.3
61.53818	0.5
61.98826	4.4
62.04790	0.4
67.01893	0.8
68.99834	0.5
69.03444	1.4
71.01386	7.0
71.47472	0.8
71.47796	0.6
72.99303	0.8
73.02958	1.4
75.00872	0.5
79.01894	1.3
81.03443	0.4
83.00127	0.5
83.01388	1.7
84.08231	0.5
85.02946	3.8
87.00890	0.8
89.02480	0.8
95.01402	2.8
97.02942	1.1
99.00890	0.8
99.04491	0.6
101.02445	3.8
107.01399	8.5
108.02217	2.6
109.02966	2.4
111.00899	3.8
113.02438	2.3
119.05180	0.6
121.02975	0.5
122.03751	8.0
123.00901	17.8
123.04539	18.9
124.01768	2.3
124.04881	0.7
125.02463	42.8
126.02788	1.8
127.00368	1.0
135.90749	0.5
136.98836	2.4
137.02466	1.9
139.00377	5.6
140.01189	5.3
141.01953	2.1
151.00385	12.0
152.01076	1.5
153.01903	1.5
161.04585	1.5
166.99883	0.6
167.03517	1.8
168.00653	5.8
169.01437	59.0
170.01749	1.7
170.76646	0.5
179.03438	0.6
181.05174	0.6
195.02940	0.5
211.02469	2.3
213.01900	0.6
223.02710	0.5
229.01439	1.4
231.02954	0.7
241.03513	1.1
248.70752	0.5
253.03455	1.0
271.04623	0.6
273.00363	0.5
275.01981	2.1
297.06116	1.8
299.98856	0.6
300.99896	3.7
302.00064	0.5
313.05637	12.8
314.06039	1.2
329.05161	0.7
329.08850	1.3
418.14465	0.7
421.20871	1.3
437.10870	100.0
438.11261	12.3
443.02457	0.8
459.03580	1.2
463.08731	0.9
481.03363	4.5
481.09674	40.1
481.53357	2.9
482.09958	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	481.0987
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
59.01378	4.3
61.98837	7.9
69.03454	0.7
69.65674	3.0
71.01385	6.5
73.02952	1.6
79.01897	0.8
81.03510	0.6
83.01395	1.0
85.02967	2.2
87.00875	0.6
89.02457	2.2
89.55591	0.5
95.01407	1.9
97.02988	1.2
98.19884	0.8
101.02457	4.2
107.01404	8.5
108.02199	13.6
109.02983	3.2
111.00901	2.1
111.08122	0.6
113.02483	2.5
119.03541	0.6
123.00906	10.5
123.04541	6.8
124.01740	1.0
125.02463	55.6
126.02786	2.5
127.07673	0.8
134.77704	0.5
136.98930	0.8
137.02420	1.3
139.00409	4.1
139.04063	0.6
140.01219	2.6
141.01927	1.7
149.09758	1.4
151.00400	8.5
151.04066	1.0
152.01175	28.3
153.01949	3.1
161.04576	0.9
163.03990	0.8
166.99823	0.6
167.03526	23.0
167.10844	2.5
168.00650	3.9
168.03842	1.4
169.01450	78.2
170.01781	3.5
171.06621	0.6
179.03613	0.7
179.05586	0.7
183.02975	2.6
185.02390	0.9
187.04137	0.5
203.03412	0.6
211.02469	1.6
213.01987	0.5
222.65730	0.5
241.03470	1.3
253.03601	1.1
271.04816	0.8
275.02109	0.6
300.99850	0.7
313.05646	46.5
314.06012	3.0
327.07303	1.2
417.14185	0.8
418.14380	20.5
419.14612	2.4
421.20740	2.2
437.11206	5.7
463.04324	2.6
481.09851	100.0
482.10220	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	481.099
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
56.77662	1.1
59.01377	4.0
61.98821	3.2
63.24163	0.9
67.01893	1.8
68.99831	0.9
69.03442	2.2
70.72725	3.3
71.01385	9.4
73.02960	2.5
79.01907	1.1
83.01384	2.1
85.02949	6.1
89.02461	1.3
95.01395	4.6
97.02975	2.0
99.00876	1.1
99.04522	1.0
101.02422	5.5
107.01400	12.6
108.02184	3.1
109.02960	3.0
111.00892	4.6
113.02460	5.4
121.02962	3.5
122.03752	14.9
122.79225	1.1
123.00900	26.2
123.04547	19.2
124.01726	1.9
125.02464	68.2
126.02786	2.3
127.00378	2.2
136.98842	3.1
137.02490	3.5
137.97882	0.9
139.00401	10.0
140.01167	8.9
141.01959	3.5
149.02440	4.3
151.00398	20.7
151.03981	1.6
152.01147	0.9
153.01964	1.6
161.02530	1.0
161.04701	1.2
163.03996	1.1
165.23967	0.8
166.99855	1.0
167.03548	1.6
167.22954	0.8
168.00656	9.6
169.01445	98.1
170.01756	3.4
179.03540	1.6
179.44031	1.0
211.02501	2.9
223.02431	1.1
241.03601	1.1
275.02066	1.2
283.09897	1.1
297.06158	1.9
300.99823	2.1
313.05643	22.2
314.05933	2.9
398.56140	1.0
437.10901	83.3
438.11267	5.6
463.08832	52.7
464.03101	1.4
464.08960	5.0
481.09872	100.0
482.10339	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	481.0989
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
57.03425	1.6
59.01382	20.4
60.99316	0.8
61.98832	16.8
65.00340	0.9
67.01862	2.5
68.54771	0.6
69.03444	1.4
69.47280	5.7
69.47694	1.5
71.01385	13.8
72.99309	3.5
73.01823	0.7
73.02952	3.7
74.99056	1.4
75.00851	0.7
79.01891	1.5
81.03477	1.3
83.01366	3.0
85.02959	4.8
85.06573	1.0
87.00863	2.9
88.98787	3.1
89.01986	0.7
89.02460	10.4
90.02755	0.9
91.00400	0.9
91.01895	1.5
91.02888	0.7
93.03458	1.9
95.01399	3.5
96.96017	5.9
96.96974	1.2
97.02930	1.6
99.00851	1.4
101.02450	8.8
107.01421	5.5
108.02199	4.2
109.02979	5.0
111.00885	4.5
111.04417	0.6
113.02461	5.5
117.03394	0.7
119.03456	3.1
120.99694	4.3
121.05059	1.1
122.03733	1.1
123.00902	16.5
123.04545	14.5
124.01688	4.0
125.02470	40.6
126.02763	2.3
126.99525	6.4
127.00397	1.4
127.02897	1.2
127.07690	0.9
131.03461	1.4
135.04491	1.2
136.98909	1.2
137.02457	3.5
139.00400	8.4
139.03963	2.3
140.01212	5.0
141.01877	2.2
143.03450	1.7
147.04503	1.9
148.04819	1.1
149.02469	1.3
149.04543	1.2
149.99556	2.3
150.03201	1.7
151.00386	13.0
151.03967	1.0
152.01178	6.7
152.03482	1.2
153.01947	5.9
153.05493	2.6
157.08603	0.8
157.42488	0.7
161.02393	0.9
161.04503	2.5
164.98225	1.7
165.01842	2.3
165.05579	1.2
166.02736	6.3
166.99759	1.2
167.03535	28.7
167.99359	1.1
168.00661	13.0
168.03781	1.0
169.01447	46.4
170.01631	2.7
171.01868	2.2
171.10165	0.7
173.04514	1.1
173.11832	1.3
177.01886	0.8
179.03383	1.4
181.01573	0.8
181.05139	4.5
182.99365	5.1
183.02998	7.9
187.07687	1.4
191.03545	1.6
191.05453	1.2
193.01422	5.6
194.02228	4.5
195.02798	1.9
195.06566	0.8
197.04568	0.7
197.11807	4.9
198.01643	2.3
209.04562	27.1
210.04868	1.6
211.02484	23.7
212.01346	0.6
212.02841	6.9
213.02971	8.1
225.03717	0.7
231.10211	0.8
239.05441	2.1
241.03351	0.9
255.04988	2.1
265.09030	0.8
265.12775	1.1
269.06717	4.0
271.04651	8.4
272.02316	0.8
272.04947	8.5
273.05093	13.2
275.08832	0.8
283.10336	11.4
293.08658	1.8
297.06085	3.1
300.99741	1.5
301.19995	1.3
309.11740	0.8
311.07541	0.8
313.05563	5.6
315.07202	0.8
316.07489	1.0
319.21048	2.2
327.07465	3.5
327.10565	0.8
329.11517	1.2
331.06491	1.1
333.07007	2.3
388.61652	0.8
421.07220	1.7
437.13342	1.4
439.08887	1.1
445.16382	0.8
481.09705	100.0
481.27087	17.3
482.10117	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	480.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24917	0.2
59.01386	1.3
61.98832	100.0
69.48148	1.6
71.01400	1.0
73.02959	0.3
85.02974	0.3
86.25890	0.2
89.02463	0.3
99.00895	0.2
101.02473	0.7
113.02495	0.3
124.19312	0.2
137.02483	0.2
151.49396	0.2
152.01241	0.3
153.05667	0.3
161.04561	0.3
173.34616	0.2
182.05855	0.4
197.08261	0.7
199.13556	0.2
200.13852	0.2
248.68660	0.2
289.16620	0.5
299.96646	0.2
420.26169	0.2
421.20886	0.3
474.29126	0.2
479.32425	0.4
480.25934	0.3
480.32791	1.4
481.17331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01503	0.1
54.89758	0.2
59.01381	0.7
61.98832	100.0
69.63772	1.3
71.01375	0.5
79.10589	0.2
89.02459	0.3
101.02457	0.2
113.02472	0.2
131.03574	0.2
136.07742	0.1
160.33539	0.1
164.17480	0.1
236.62280	0.2
413.44498	0.2
421.20795	0.1
481.17407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
56.66103	0.2
57.03448	0.3
59.01381	2.3
61.98831	100.0
63.45126	0.2
69.39841	2.0
71.01383	2.7
72.01721	0.4
73.02966	0.7
83.01396	0.6
85.02953	1.1
86.03294	0.3
87.04510	0.2
88.54576	0.2
89.02457	0.5
95.01412	0.3
95.64076	0.2
98.19875	0.3
99.00888	0.2
101.02460	1.8
102.02793	0.3
109.02975	0.3
111.00916	0.3
112.10491	0.2
113.02442	1.1
114.02755	0.2
119.03513	0.2
120.99593	0.2
125.02409	0.2
140.06010	0.2
142.79533	0.2
161.04602	0.4
168.77203	0.2
220.28174	0.2
287.83069	0.2
298.98721	0.2
299.98654	0.3
300.99579	0.2
317.26993	0.2
318.27197	0.3
457.68137	0.3
479.32382	0.5
480.06537	0.2
480.32587	7.2
481.17117	0.4
481.32828	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.0
61.98830	31.1
66.20953	0.8
67.01882	0.8
69.37345	1.3
69.37751	7.5
71.01382	6.7
72.99298	1.2
73.02938	2.4
75.00876	5.0
83.01398	1.9
85.02956	3.1
87.00912	1.6
89.02428	3.7
95.01395	2.0
97.02964	0.8
99.00873	0.9
101.02446	4.4
107.01376	5.3
108.02192	9.9
108.04559	1.0
109.02962	3.4
111.00900	2.2
113.02467	3.6
119.03516	1.1
122.06034	0.7
123.00906	14.4
123.04509	4.2
124.01720	1.5
125.02460	30.4
127.00368	1.1
127.07668	0.9
131.03493	1.0
133.02939	0.8
136.98834	1.6
137.02414	0.9
139.00404	5.2
139.04024	1.4
140.01175	2.6
141.01944	2.6
142.85973	0.6
149.09737	3.3
151.00377	13.3
151.03990	1.1
152.01175	17.2
152.03419	0.6
153.01985	4.3
163.04068	1.0
165.01979	1.4
167.03510	9.0
167.10770	4.6
168.00656	4.6
169.01443	43.3
170.01775	1.1
179.05606	0.9
183.02995	2.4
201.01923	0.9
211.02498	1.7
213.02040	0.9
229.01282	1.0
241.03264	0.8
253.03300	1.2
257.01184	0.7
259.15518	1.0
271.04578	0.7
275.01898	0.9
300.99838	2.1
302.00113	0.9
303.00543	0.8
313.05637	19.0
315.07227	2.4
319.13052	0.8
368.06689	0.8
407.06271	1.2
417.14011	100.0
418.14423	9.0
421.20825	5.8
441.39951	0.7
463.04996	6.2
480.11581	7.0
480.17935	1.5
481.09875	45.2
481.18744	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	479.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68767	0.4
59.01366	2.3
61.98842	2.6
67.11067	0.4
71.01385	1.3
71.05030	0.6
83.05052	0.5
83.49107	0.3
85.02960	0.4
85.06600	4.0
89.02462	0.4
96.96043	0.5
97.06595	1.2
101.02473	0.4
109.06584	0.4
111.08175	0.9
113.02460	0.7
127.07671	97.9
128.07993	2.8
135.08202	0.5
137.09740	9.7
138.10078	0.5
139.11316	0.5
151.11250	0.4
161.04532	0.4
169.12350	0.8
171.06650	70.2
172.07005	2.2
221.15457	0.6
289.18323	0.6
289.21619	0.6
303.19449	0.4
305.21216	11.8
306.21500	0.6
307.22784	84.3
308.23141	5.5
323.22412	0.5
328.17270	0.5
479.30173	100.0
480.30463	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3015
Annotation	Xestobergsterol B
Peak:m/z	Relative Intensity
57.03458	0.5
58.02418	0.2
59.01381	1.9
61.98827	2.0
70.15894	0.7
70.16286	0.5
71.01381	0.7
71.05025	2.2
73.02947	0.7
78.95917	0.9
81.03457	0.4
85.02943	0.2
85.06588	0.7
91.41890	0.2
95.05043	0.8
96.96004	0.4
97.06603	3.6
99.04511	0.3
107.05035	0.4
109.06613	0.3
115.07674	0.7
123.08205	0.4
125.09651	0.2
127.07661	0.4
129.05621	1.1
137.09737	0.7
139.11377	0.3
143.95418	0.3
151.11342	0.4
152.99596	0.6
158.45998	0.3
163.11279	0.3
191.14520	0.4
195.14063	0.3
197.11942	0.3
199.13612	0.3
211.13347	0.5
223.20715	0.3
225.11264	0.3
235.13426	0.8
251.16577	0.4
261.15009	0.5
261.18719	0.2
271.20535	0.3
277.18228	0.3
289.21655	1.6
293.21057	0.4
301.22156	0.3
301.25427	0.7
311.22189	2.3
311.38937	0.3
313.21762	0.6
315.19708	2.1
316.02536	0.3
317.28482	2.3
318.28928	0.3
331.22748	2.7
332.23056	0.4
357.27899	0.4
361.27744	0.3
373.27292	0.3
373.31339	1.7
375.28851	0.3
381.27866	0.3
391.32184	0.8
394.17606	0.3
399.29202	1.5
401.26865	0.8
407.28162	0.9
417.30124	12.1
418.30475	1.1
419.28104	0.7
435.31274	4.5
436.31396	0.7
443.28177	1.2
444.28149	0.3
449.29022	0.4
454.49780	0.2
461.29114	21.4
462.29483	3.1
479.30167	100.0
480.30499	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25517	1.3
55.01871	2.5
57.03445	6.1
58.00592	3.6
59.01381	66.4
60.99292	1.7
61.98834	27.1
69.03458	4.4
71.00378	3.2
71.01388	51.0
72.99326	5.8
73.02951	10.7
74.99111	3.4
75.00876	4.6
79.93067	1.3
81.03478	2.2
83.01399	4.0
84.87906	1.3
85.02967	14.4
87.00903	6.0
87.04523	2.2
88.98823	6.4
89.01904	3.1
89.02454	51.9
93.03468	4.5
95.01400	5.2
96.96013	4.6
97.02968	2.3
97.06606	5.0
99.00900	2.8
101.02465	32.9
107.01447	1.5
108.02223	2.4
109.02956	2.7
109.06628	3.0
111.00913	10.3
113.02462	20.8
119.03522	24.9
121.02974	6.7
123.00944	7.1
123.04528	4.2
123.08178	3.4
124.05328	4.2
125.02454	12.6
125.06076	2.5
127.07667	2.4
131.03508	4.1
133.06609	2.4
135.04529	2.7
136.05305	2.5
136.99101	1.7
137.02467	2.7
139.00327	2.2
139.04050	1.9
139.07675	25.4
141.01942	2.5
143.03545	4.1
145.04935	2.2
149.04579	5.1
149.09775	3.8
150.03265	1.7
151.00395	3.5
151.07669	15.3
151.11337	2.8
153.01971	2.5
153.09171	2.0
161.02528	1.7
161.04630	11.0
161.09743	16.9
163.04150	1.7
164.08420	3.3
165.01923	1.9
165.05545	3.0
165.09222	1.9
166.05043	1.5
166.99889	4.8
168.00645	8.4
169.01424	12.6
177.01845	1.6
179.05630	26.2
179.10786	52.8
180.11234	2.6
183.03046	6.0
183.06683	3.2
191.03448	1.5
191.05614	2.1
191.10811	28.4
201.02003	2.5
203.10623	1.9
209.11864	12.8
210.01712	6.2
211.02458	2.9
214.03023	5.2
220.06136	1.7
221.11771	7.8
225.04030	13.7
227.12822	1.9
229.05423	4.6
234.34662	1.3
239.12883	37.1
240.13193	2.1
242.83351	1.6
244.98311	1.4
245.00792	2.3
255.11374	6.4
257.13947	100.0
258.14224	4.5
271.04523	2.3
273.00391	1.9
285.06137	8.6
298.98346	3.6
299.99130	2.8
300.99911	16.0
302.00125	11.9
303.00452	19.2
313.05551	1.5
327.13708	1.9
345.14655	5.6
389.10953	4.3
417.13983	5.6
419.19272	96.6
420.19617	10.8
464.11758	1.7
479.03461	4.6
479.13232	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25967	0.5
55.01881	0.7
57.03440	1.3
58.00595	1.2
59.01381	13.9
59.08700	0.6
61.98835	11.8
69.88556	1.3
69.88971	1.7
71.01389	10.6
72.99322	1.7
73.02951	4.5
75.00857	0.7
81.03471	0.8
83.01407	1.1
83.05047	0.7
85.02966	5.6
87.00893	1.5
87.04536	1.6
88.98834	0.9
89.02455	7.0
93.03494	2.8
97.02971	1.0
99.00879	0.7
101.02457	6.6
103.04000	0.9
108.02141	0.6
109.02942	0.8
113.02469	4.3
117.05616	0.9
119.03537	1.9
120.99644	3.3
123.04545	0.7
125.02460	1.8
135.06670	5.0
135.08218	1.5
136.99258	0.5
137.02480	7.6
137.09744	8.9
139.11334	1.1
151.00348	0.6
151.03998	1.0
152.15770	0.5
153.01956	1.0
155.10802	69.9
156.11115	3.0
161.04597	0.9
163.04056	0.8
165.05626	0.6
168.00664	1.1
169.01440	1.6
169.12357	5.4
177.18163	0.5
179.05583	0.8
179.10963	0.6
181.08705	1.6
181.12320	0.8
182.05843	8.7
183.10405	0.7
185.11876	0.6
197.08212	6.0
197.11862	0.9
199.09769	16.6
199.13422	0.6
213.11383	1.1
215.35295	0.5
227.12961	0.6
241.10806	3.7
273.12567	1.5
281.06656	10.9
281.09525	1.0
282.06876	0.7
287.15067	1.4
297.11856	1.9
301.03479	0.8
302.03748	0.6
303.04099	1.8
313.05548	0.6
391.09592	0.6
435.29517	1.1
461.20334	0.7
479.21301	100.0
480.15286	0.8
480.21671	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	479.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00538	0.6
59.01298	13.9
59.01620	2.0
60.99256	0.6
61.98744	20.3
61.99102	2.7
61.99276	0.8
62.21953	0.6
69.43226	4.0
69.43647	1.6
71.01295	10.6
71.01716	0.9
72.99226	8.5
72.99673	0.6
73.02886	1.0
83.01318	1.0
85.02950	3.1
86.39632	0.6
87.00827	1.0
88.98817	2.5
89.02451	10.6
91.00306	0.7
93.03432	0.8
95.01313	1.3
96.95933	1.3
97.02904	1.1
99.00851	0.7
101.02441	5.6
107.01405	4.0
109.02891	1.1
110.00108	0.8
111.00833	1.2
113.02465	3.9
119.03510	4.2
119.04951	0.5
122.03761	2.7
123.00914	2.6
123.04543	3.9
124.01603	2.4
125.02461	26.4
125.09730	0.6
126.02762	0.7
127.00294	0.9
131.03445	0.8
135.04549	2.6
136.98735	1.4
137.02402	1.9
139.00296	2.3
139.03952	1.1
140.01176	3.2
147.04535	14.8
148.04803	1.2
151.00322	2.4
152.01172	0.6
153.01926	1.2
160.78429	0.6
161.04527	1.3
165.05511	1.5
167.03540	3.6
168.00655	12.7
169.01439	36.6
170.01726	0.9
177.90941	0.5
179.03571	3.1
179.05583	2.5
183.02917	0.8
183.10251	0.9
185.11819	3.4
193.01393	0.6
197.04591	4.6
211.02487	60.0
211.21240	0.5
212.02823	3.8
222.15433	0.5
241.03589	1.6
244.96869	0.5
271.04578	100.0
271.99207	0.7
272.04916	4.2
272.99313	1.0
281.06631	1.4
287.01764	0.6
298.98370	0.7
299.99097	3.0
300.99356	4.8
301.99625	6.6
311.07785	2.3
315.01297	3.0
316.01901	4.5
317.02139	5.5
317.06573	1.3
327.10822	7.5
328.11169	0.8
331.06686	14.6
332.07101	1.5
359.09866	1.6
409.67093	0.5
435.12991	4.8
476.79504	0.7
479.12363	53.1
480.12274	7.1
480.17621	0.5
498.37143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90107	0.9
57.03445	1.5
58.00600	1.2
59.01378	27.0
60.18077	0.9
60.99302	1.1
61.98507	1.8
61.98832	34.6
65.00301	1.4
68.99774	1.0
71.01387	18.2
71.71333	1.6
72.99319	6.3
72.99651	1.0
73.02943	3.7
75.00903	1.3
83.01404	3.3
85.02955	10.2
87.00881	1.2
88.98821	6.5
89.02448	14.3
93.03467	4.1
95.01419	1.9
97.02921	1.0
99.00893	1.2
101.02467	11.5
107.01427	7.5
109.02970	5.6
111.00903	2.9
113.02454	6.8
119.03545	4.3
119.05030	4.1
120.99660	3.9
121.02948	2.7
122.03788	4.4
123.00906	7.6
123.04532	3.5
124.01670	5.9
125.02462	41.4
125.52225	0.9
126.02784	2.0
127.00414	1.7
135.04535	2.6
136.01656	2.0
136.98851	1.3
137.02477	7.4
137.06097	1.1
139.00383	3.6
139.04044	1.5
140.01155	3.6
141.01924	1.2
143.03514	1.4
147.04529	14.5
148.01698	1.0
149.02464	11.7
150.03247	27.1
151.00362	10.1
151.03976	1.7
151.44170	1.0
152.01106	1.8
153.01947	5.1
153.05591	1.6
161.04585	2.4
163.00349	1.2
163.04028	2.4
164.01160	1.7
164.04745	3.0
165.01958	2.0
165.05589	26.7
166.99907	1.0
167.03487	3.9
168.00679	15.7
169.01445	57.2
170.01804	3.6
171.01910	1.5
174.65503	1.0
178.99881	4.1
179.03534	2.3
179.05577	3.1
180.04337	1.3
183.10252	3.4
183.82851	1.0
191.01984	3.3
195.06648	12.5
197.04625	2.7
199.09837	0.9
211.02486	68.3
212.02837	2.5
214.02724	4.3
223.06142	2.0
225.11301	1.0
232.03711	1.0
241.03595	2.3
242.02225	4.0
243.02933	2.6
253.10887	6.0
259.02576	4.9
270.01608	4.3
271.02356	16.6
271.04584	100.0
272.02451	1.5
272.04919	3.8
281.06723	3.1
287.01971	17.1
287.15131	1.4
288.02585	3.0
295.10367	1.2
299.09247	1.1
311.07715	1.2
313.05655	12.1
313.11490	1.4
314.06097	1.6
315.01398	1.2
315.06119	1.4
316.02240	71.6
317.02835	15.0
317.06641	4.6
317.19611	1.3
327.10815	7.5
331.06668	14.4
347.17117	4.1
389.14117	1.1
397.84399	1.1
431.17130	16.9
432.17703	1.9
435.12775	4.0
435.29663	1.2
461.03894	1.2
479.07791	33.8
479.11853	51.3
479.25430	5.0
480.08170	3.8
480.12613	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
61.98835	6.4
69.57148	1.7
69.57579	2.6
71.01397	0.7
72.99306	0.9
77.92216	0.4
89.34286	0.6
93.26228	0.5
97.53036	0.5
98.20606	0.6
98.71210	0.5
107.01418	1.5
109.02972	0.6
124.01658	2.2
125.02461	0.6
135.00873	0.5
137.02495	2.3
138.04178	0.4
148.01688	0.5
151.00406	5.4
152.01141	1.3
163.00378	1.6
164.01169	2.0
165.01901	0.5
165.05566	0.6
169.01466	1.3
178.99872	5.5
188.66507	0.5
203.03513	1.1
204.04289	0.9
214.02733	7.5
215.03261	0.7
222.36148	0.5
227.03560	1.0
232.03726	0.6
242.02208	5.8
243.02972	3.8
259.02460	6.0
270.01715	6.9
271.02448	40.4
272.02847	2.1
287.01981	23.0
288.02463	2.6
294.74451	0.5
299.01950	0.5
316.02249	100.0
317.02902	18.7
416.15573	0.6
479.08273	88.9
480.08563	8.8
496.34293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0836
Annotation	11-o-Galloylbergenin
Peak:m/z	Relative Intensity
58.00617	0.7
59.01385	14.2
61.98833	9.9
67.01909	1.6
69.03477	1.7
69.62401	6.2
71.01393	14.2
72.99329	3.2
73.02980	1.9
74.99120	1.4
75.00905	1.9
83.01417	1.3
85.02978	4.2
87.00900	2.7
87.90630	0.7
88.89638	0.7
88.98839	3.0
89.02457	6.9
92.67891	0.7
93.03474	53.2
95.01417	3.2
96.96037	2.1
97.02986	2.7
99.00933	1.1
101.02443	6.5
107.01411	11.0
107.05096	0.9
109.02993	1.7
111.00905	6.5
113.02473	5.1
116.92892	1.6
119.03535	2.2
120.99728	1.0
121.02984	58.8
122.03388	1.5
123.00903	17.1
123.04478	0.7
124.01737	1.2
125.02470	70.2
126.02802	1.6
127.00432	0.8
128.34842	0.7
131.03516	1.1
133.98695	0.6
135.04564	1.8
136.98906	2.4
137.02487	1.8
139.00397	3.6
139.07706	1.6
140.01195	2.9
141.01942	3.0
143.03535	1.0
149.02499	0.9
149.04538	0.9
150.03282	1.3
151.00400	12.6
151.04016	1.1
151.07715	1.4
153.01897	1.6
161.02469	0.9
161.04622	2.0
161.09813	0.8
163.04062	1.3
165.01997	4.6
166.99947	1.1
168.00682	4.9
169.01459	97.8
170.01802	2.4
177.02002	1.0
179.05634	1.9
179.10747	2.7
183.02975	1.5
189.02031	0.9
190.99907	0.8
191.10754	1.3
205.01370	2.2
209.11842	1.0
211.02512	4.8
223.02412	1.0
230.99478	0.9
239.12830	2.3
241.03545	2.3
245.00763	0.9
255.11459	2.4
257.13943	8.8
271.04459	3.4
271.10553	0.9
275.01920	0.9
298.98566	1.2
299.05533	1.8
299.99139	0.8
300.99799	7.1
302.00180	2.7
303.00421	7.7
307.10114	0.8
313.05661	58.4
314.05838	2.8
315.09851	0.9
316.99304	0.9
345.14322	1.3
350.70874	0.8
370.99283	0.7
389.10431	1.3
407.09442	1.4
416.12079	0.8
417.10019	1.1
419.13110	0.9
419.19211	10.7
435.03381	1.4
435.09341	27.7
436.09561	2.0
443.19296	0.9
458.03094	0.8
479.08130	100.0
480.08505	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	477.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78819	0.6
54.87923	0.5
59.01379	100.0
60.01717	0.9
61.98835	6.1
71.01385	0.8
71.67417	0.6
85.02928	0.6
96.96010	1.0
107.01416	0.8
121.03046	0.7
127.54933	0.5
151.00412	2.7
163.07701	0.9
177.72781	0.5
178.99915	0.9
196.12794	0.5
201.01907	0.5
201.05620	0.5
201.12759	0.5
239.03716	0.6
283.99698	0.6
299.98953	0.7
300.99997	14.3
301.03647	10.4
302.00372	1.6
302.03735	1.1
340.77664	0.5
477.02490	1.2
477.36392	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	478.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00618	0.4
59.01379	9.3
61.98833	23.2
63.84027	0.5
67.01883	0.7
69.62736	0.5
69.62967	0.9
69.63372	2.7
71.01392	7.1
72.01748	0.5
72.99310	1.6
73.02937	1.7
74.99091	0.9
75.00876	4.1
79.01871	0.7
81.03466	0.7
83.01379	1.8
85.02979	3.1
87.00880	1.9
88.98820	0.9
89.02460	3.6
93.03451	0.8
95.01417	2.6
96.96012	1.0
96.96963	0.6
97.02972	0.8
99.00891	1.1
101.02458	6.0
107.01395	3.6
108.02168	1.7
109.02966	1.5
109.06598	0.7
110.02478	0.5
111.00889	1.5
113.02485	2.7
119.03522	1.0
119.05052	5.2
120.05394	1.9
120.99678	0.6
121.03014	4.7
122.03302	1.4
123.00909	12.9
123.04533	2.0
124.01717	1.2
125.02465	17.9
126.02802	1.6
127.00386	0.5
134.03770	0.5
135.04546	1.4
136.98932	1.0
137.02463	1.6
139.00403	3.3
140.01167	1.8
141.01938	2.2
145.02940	1.2
146.06078	0.6
147.04384	1.0
149.04456	0.6
149.06212	0.5
150.03229	0.8
151.00386	11.7
151.03992	0.6
153.01944	2.9
161.02443	0.8
161.04552	1.8
163.04051	2.4
163.83076	0.5
164.04390	0.9
165.01926	1.2
165.05621	1.0
168.00644	3.2
169.01443	23.6
170.01779	3.3
179.03508	0.6
181.05058	0.9
195.06712	0.6
211.02437	1.2
216.00737	0.6
227.07565	0.5
227.60568	0.5
229.01372	0.9
234.28545	0.4
244.00119	0.8
245.00946	0.7
246.01260	0.6
247.02142	0.5
271.04514	2.2
271.99509	0.9
272.06860	1.2
273.00293	0.7
287.09183	4.8
298.98459	0.8
299.99011	0.9
300.99881	11.6
302.00235	23.3
303.00497	1.2
311.10507	0.5
313.05695	4.1
314.05945	1.9
315.13358	0.7
315.98636	0.9
316.02051	0.6
316.99429	1.4
317.02911	0.5
317.06659	1.0
317.10184	6.7
327.13416	0.8
345.14432	1.8
390.13199	0.8
415.12445	100.0
416.12744	8.2
418.21759	0.9
443.11325	0.7
460.09076	0.6
478.03442	5.1
478.10699	12.7
479.04398	1.6
479.12256	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	479.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01381	10.0
59.97934	0.4
61.98831	12.1
63.02396	0.6
65.00333	2.7
67.01884	1.3
68.99818	2.5
69.03470	0.9
69.55517	5.3
70.75799	0.5
71.01385	6.1
72.99318	3.4
73.02935	1.3
74.99116	2.2
81.03468	1.5
83.01388	7.9
85.02953	3.3
85.82573	0.5
87.00898	1.2
88.98804	1.1
89.02472	4.3
93.03457	7.4
95.01405	1.4
97.02981	1.1
98.19924	1.2
99.00903	0.6
101.02454	5.0
104.72167	0.6
106.82626	0.5
107.01409	6.1
108.02190	1.6
109.02962	7.5
110.03273	0.5
111.00851	1.2
113.02464	2.5
119.03535	1.8
119.05047	2.0
120.99651	0.8
121.02962	1.4
123.00892	2.9
123.04479	2.7
124.01687	0.9
125.02472	12.5
126.02755	0.9
133.02960	0.6
135.04562	2.0
136.01678	1.4
136.99155	1.6
137.02473	12.9
137.99585	0.5
138.03345	1.0
139.00423	0.9
139.04019	1.2
145.02982	1.7
147.04543	0.8
149.02492	4.3
150.03186	1.1
151.00395	26.2
151.04005	1.0
152.01064	1.8
153.01958	100.0
153.05537	8.5
154.02304	3.2
159.04601	0.5
161.02496	0.9
161.04567	0.9
163.00360	1.1
163.04012	1.6
164.01175	5.8
165.01888	1.8
165.05585	1.6
166.02663	0.7
167.03520	3.8
168.00638	1.1
169.00119	0.9
169.01436	6.8
170.01797	1.2
171.01935	0.6
171.10272	0.8
175.00414	1.5
175.04079	1.1
177.01942	11.5
178.99890	1.8
179.03517	2.4
183.04507	0.7
189.01973	0.6
190.99934	0.6
191.03430	0.7
193.01476	0.9
195.02992	7.2
195.06688	0.8
196.03252	0.6
199.03989	1.0
201.01949	2.9
203.03555	2.3
207.03036	0.8
211.02525	2.4
213.11122	0.5
215.03467	0.8
219.02969	0.9
227.03542	1.5
229.09120	0.7
231.03024	1.6
239.05540	0.9
243.02989	1.7
244.03575	0.6
255.03011	1.5
269.13013	0.7
271.02362	20.1
272.02850	2.0
273.12363	1.1
275.02164	0.7
281.06631	6.0
287.01859	2.9
289.03516	0.7
299.01965	33.3
299.18604	0.7
299.99332	0.7
300.02295	3.2
300.99814	1.3
303.00610	1.9
313.05618	1.2
315.98782	0.8
316.02216	10.3
316.05518	0.5
317.02924	5.0
317.10867	0.9
317.19589	1.2
347.17169	2.1
359.12271	0.6
433.07767	1.1
435.09021	13.9
436.09528	1.1
438.73041	0.6
443.11487	4.7
461.06607	3.2
479.08511	21.9
479.25119	2.6
480.09033	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	477.2856
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
54.24178	0.5
57.03437	1.1
59.01380	7.0
61.98834	6.3
65.00334	1.2
70.19547	0.5
70.31539	0.5
71.01380	2.2
71.05018	0.8
71.73852	0.7
72.99293	0.7
73.02947	0.8
75.00851	0.6
78.95901	1.0
83.01398	1.1
83.05022	0.6
85.02972	1.0
85.06604	3.2
89.02455	1.2
93.53235	0.6
97.06584	1.3
97.62130	0.5
99.00859	0.5
101.02450	0.9
107.01408	2.4
109.02977	1.2
109.06612	0.7
111.08184	0.8
113.02451	1.5
120.99679	0.8
121.02978	1.9
123.04511	0.8
123.08203	0.8
125.09713	0.5
127.07674	15.4
143.05946	0.5
144.94185	0.5
149.02466	0.8
151.00398	7.2
151.07681	5.0
154.64731	0.5
161.06079	0.8
163.00433	1.5
163.11322	2.2
165.05579	0.9
169.01447	1.2
171.06668	16.4
178.99898	3.9
179.10788	3.5
181.12350	6.0
183.13899	1.2
185.02304	0.7
197.11877	3.0
199.37263	0.6
205.12430	0.6
209.08092	0.5
209.91747	0.5
213.02013	0.5
223.09839	0.8
224.10614	1.5
225.11345	2.0
245.04410	0.7
252.88483	0.6
253.18025	1.1
255.02969	1.6
256.09521	4.2
273.04160	0.7
283.02710	1.1
299.99133	1.4
300.99911	18.9
301.03552	25.4
302.00266	2.3
302.03961	3.0
305.21207	22.1
306.21512	1.6
309.20703	3.3
315.04617	0.6
345.22919	0.6
389.30835	0.9
399.25256	0.8
415.28537	12.1
416.28708	1.5
433.29669	18.1
434.30115	2.1
459.27829	0.9
477.06982	4.4
477.28625	100.0
478.29105	11.7
501.92575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2858
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
59.01376	3.8
61.98835	5.1
69.03449	2.7
70.88896	1.0
70.89256	0.4
71.01376	1.3
71.05047	0.5
78.95928	0.5
81.06334	0.4
83.05076	0.6
85.03004	0.8
85.06599	44.5
86.06956	1.1
97.06581	0.5
101.02424	0.7
101.82913	0.4
107.01397	0.9
109.02964	0.6
109.06596	3.1
111.08146	0.6
113.02448	0.6
121.02980	0.8
121.06637	0.9
123.08135	0.6
127.07671	100.0
128.08017	2.9
137.09799	0.8
151.00410	3.9
151.11276	0.4
156.40231	0.5
163.00414	1.0
163.07693	0.5
163.11411	0.5
167.10741	0.5
169.01453	0.5
171.06648	90.7
172.06996	2.7
177.01981	0.5
178.99895	1.4
190.02846	0.5
207.13980	1.4
217.12413	0.6
221.01082	0.7
246.98676	0.5
255.02888	0.6
263.83521	0.5
277.30811	0.5
287.20071	1.4
299.99231	1.1
300.99936	10.0
301.03555	12.6
302.00336	1.3
302.04022	1.4
303.19696	2.3
305.21225	91.0
306.21518	7.8
307.22668	0.5
321.20621	0.5
433.29843	1.1
459.27463	0.7
477.06433	1.5
477.28616	91.6
478.28909	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	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98738	0.7
54.08635	0.8
55.01873	3.9
57.03452	4.4
58.00584	1.9
59.01380	100.0
60.01715	1.0
61.98511	1.1
61.98831	13.6
62.25004	0.8
68.16881	0.8
69.03446	2.0
69.61915	0.7
71.01388	45.9
71.05006	0.7
72.01733	1.0
72.43909	0.8
72.99303	2.2
73.02955	12.6
75.00876	0.9
75.21049	0.7
83.01401	6.3
85.02956	18.8
87.00903	3.3
87.04495	1.0
89.02454	20.2
95.01411	3.7
97.02985	1.6
99.00871	5.4
101.02457	35.3
105.05598	4.7
107.01415	1.3
107.26286	0.9
107.94189	0.8
109.02959	1.1
111.08156	4.8
113.02471	21.7
119.03523	8.9
120.99723	1.1
125.02475	1.6
129.01920	1.0
131.03523	1.6
143.03531	3.3
151.00394	3.5
159.02992	4.1
161.04579	24.8
165.12860	29.9
166.13210	1.5
178.99870	2.3
179.05595	6.1
183.13918	74.8
184.14294	4.8
197.11932	0.9
209.11841	3.1
211.13455	1.0
227.12904	7.8
249.09904	0.9
255.19691	2.4
267.10873	9.6
271.02594	1.1
301.00003	6.1
301.03574	13.9
417.24939	59.1
418.25311	5.6
459.22354	1.1
477.23462	88.5
477.30252	7.0
478.23798	11.3
480.32419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2342
Annotation	Glu-Leu-Phe-Ala
Peak:m/z	Relative Intensity
55.01880	1.1
57.03453	2.0
58.00580	0.6
59.01382	23.0
60.01697	0.4
60.72224	0.3
61.98830	8.1
69.03463	0.6
71.01386	21.6
71.05058	0.4
72.99310	1.4
73.02950	6.5
75.00870	0.4
75.51288	0.3
81.03450	0.4
82.67844	0.3
83.01402	2.8
83.05043	0.9
85.02959	9.1
87.00887	1.3
87.04513	1.2
89.02451	10.5
95.01394	1.7
97.02927	0.5
97.06604	1.1
98.20555	0.9
99.00878	2.2
101.02457	15.7
102.02829	0.3
105.05595	4.6
107.01396	0.8
109.02998	0.5
111.08160	1.1
113.02470	8.1
119.03522	3.5
121.02985	0.9
125.02450	1.1
131.03511	0.5
135.12968	0.4
143.03532	1.0
151.00414	2.4
159.02954	0.9
161.04576	5.8
163.00336	0.5
165.12860	11.5
167.10806	0.4
167.14395	0.5
169.01462	0.4
178.99911	1.2
179.05629	1.4
181.12419	0.5
183.13914	87.3
184.14262	3.5
197.15501	2.7
207.13951	0.4
209.11841	2.4
225.14868	0.5
227.12906	4.9
249.09850	0.6
255.19586	0.8
267.10822	8.6
271.02557	0.6
300.99930	3.8
301.03531	9.5
301.06775	0.7
302.03906	0.7
393.57706	0.3
417.24957	6.7
418.25189	0.5
459.22324	1.0
477.23404	100.0
478.23730	8.1
478.30078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00759	0.4
53.00964	0.6
53.01141	0.6
53.01396	1.0
55.01877	0.3
57.03443	0.8
59.01378	34.4
60.44549	0.3
60.99292	0.4
61.98834	5.5
62.76511	0.3
63.02386	1.4
65.00325	3.3
67.82316	0.3
69.21184	0.3
71.01025	0.6
71.01385	6.1
71.75445	0.5
73.02947	1.0
75.00878	0.5
83.01401	2.2
83.41171	0.3
85.02959	3.0
87.00877	0.7
88.98820	2.5
89.02458	1.5
91.53905	0.3
93.03474	1.4
95.01392	1.0
97.02942	0.4
99.00890	0.8
101.02460	1.9
103.00398	0.4
107.01408	9.5
108.02211	1.9
109.02965	6.4
111.00877	0.6
113.02464	3.6
117.03471	1.1
119.01344	0.5
119.05040	1.1
121.02966	7.5
123.00903	2.1
123.04540	0.6
124.01688	0.7
125.02466	10.5
131.03465	0.4
133.02956	0.8
135.00945	0.7
135.04556	0.8
137.02461	1.4
139.00409	0.9
139.04047	0.7
140.01093	0.7
145.02974	2.8
147.04553	0.5
149.02457	1.5
150.03246	0.8
151.00389	30.7
152.01212	2.7
153.01965	2.3
153.09134	0.4
157.06622	0.4
159.04558	0.9
161.02467	3.4
161.04539	0.9
163.00395	5.2
163.04021	1.0
163.07762	0.3
164.01234	0.5
165.01941	0.6
165.05559	0.5
166.21909	0.4
167.03545	1.1
167.04929	0.3
168.00655	1.3
169.01443	18.2
170.01805	0.5
173.06088	0.7
175.02448	1.2
175.03986	0.6
178.99872	14.7
179.03413	0.7
179.05649	0.3
180.00266	0.7
183.04520	1.3
183.10023	0.4
187.04047	1.0
189.05554	0.5
192.00648	0.3
193.01413	0.5
199.03894	0.7
201.05566	1.0
203.03477	0.4
209.04517	0.9
209.11916	0.5
211.02446	3.4
211.04068	1.4
212.02707	0.4
227.03548	2.1
228.04045	0.4
229.05046	2.1
239.03375	0.5
241.01378	0.3
241.03503	0.7
243.02994	0.5
245.04547	3.1
255.02991	4.9
256.03625	0.7
257.04498	0.7
271.02408	0.6
271.04654	5.2
273.03970	3.1
281.06595	0.9
283.02560	2.5
284.02814	0.3
287.15051	0.4
297.11801	0.5
299.99188	1.5
300.02371	0.8
301.03522	100.0
302.00708	0.3
302.03882	6.5
311.09314	0.5
311.13168	0.5
312.09845	0.5
313.05661	6.8
315.01395	1.4
315.07037	2.2
327.12231	0.9
331.06958	1.7
357.09760	2.7
387.10760	1.4
417.25177	2.4
433.11414	0.5
447.12939	0.4
477.06287	8.2
477.10739	10.1
477.20197	2.2
477.26050	0.7
478.05759	0.6
478.11353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
57.03444	3.7
58.00590	1.8
59.01382	64.0
61.98833	6.7
69.03469	1.0
70.21685	1.8
70.22076	1.2
71.01390	34.1
71.05036	0.7
72.99355	1.2
73.02948	9.9
75.00880	0.9
83.01392	4.8
83.05021	0.6
85.02960	13.3
87.00895	1.4
89.02460	15.4
93.03508	0.8
95.01408	2.3
95.99529	0.6
97.02962	0.8
97.06618	0.9
99.00908	4.3
101.02454	29.6
104.68623	0.6
105.05575	5.2
109.02950	0.7
109.06596	0.9
111.08159	4.1
113.02468	16.0
119.03513	5.8
125.02496	1.8
127.95610	0.6
143.03540	2.7
145.34322	0.7
151.00395	2.6
159.03043	2.4
161.04584	15.5
165.12862	21.2
165.57686	0.7
166.13379	0.9
169.01501	0.7
178.99890	1.2
179.05653	4.0
182.18459	0.6
183.13916	80.0
184.14328	3.3
197.15492	1.5
209.11850	2.7
227.12935	6.0
255.19701	0.8
267.10883	9.4
299.01801	0.7
300.99951	2.8
301.03528	9.5
302.03979	1.1
417.24924	35.0
418.25208	3.8
459.22406	1.0
477.23459	100.0
477.30276	6.6
478.06354	0.7
478.23874	11.3
478.30695	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2342
Annotation	Glu-Leu-Phe-Ala
Peak:m/z	Relative Intensity
55.01870	1.0
57.03450	2.7
58.00584	0.5
59.01381	88.1
60.01715	1.0
61.98833	14.8
69.03459	0.6
71.01388	22.1
72.99301	1.0
73.02959	5.5
83.01389	3.1
85.02964	9.0
87.00905	1.3
87.04552	0.6
88.98794	0.5
89.02458	6.3
95.01398	1.4
97.02956	0.5
99.00891	3.3
101.02459	16.0
107.01463	0.6
113.02467	8.6
119.03530	2.8
120.21802	0.5
121.02996	0.8
125.02478	1.1
139.11311	21.5
140.11630	0.8
143.03577	1.1
149.04671	0.5
151.00380	3.2
159.03023	2.0
161.04585	10.2
163.11334	1.3
165.09229	1.0
178.99889	1.5
179.05670	1.8
181.12358	7.9
183.10284	25.2
183.13876	0.9
184.10646	0.9
186.42995	0.5
199.13443	0.6
225.11363	3.7
227.12872	0.5
243.12415	1.5
251.11319	2.5
251.87798	0.5
300.99976	3.7
301.03595	10.1
302.04034	0.6
313.10669	0.8
381.45740	0.5
417.24982	29.4
418.25491	2.4
459.22421	5.7
460.22568	0.5
477.23434	100.0
478.23724	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	477.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03448	2.1
58.00585	0.6
59.01380	100.0
60.01727	1.6
61.98833	25.0
62.60418	0.5
65.00365	0.8
69.65576	4.6
71.01386	22.5
72.99314	1.1
73.02951	7.4
75.00889	1.3
77.34756	0.5
81.75293	0.6
83.01395	3.2
83.05043	0.6
85.02955	8.9
85.03436	0.7
87.00893	2.2
87.04570	0.7
88.98861	0.8
89.02452	10.6
95.01424	1.6
98.19852	0.8
99.00906	3.0
99.04547	0.7
101.02451	16.0
102.02800	0.8
107.01414	1.4
109.03005	1.7
113.02457	9.6
119.03542	2.8
120.99638	3.0
121.02980	1.8
125.02462	1.5
131.03473	1.5
135.04565	1.3
139.11305	16.3
140.11629	0.9
143.03539	2.4
145.03008	1.2
146.03737	1.4
149.04587	1.3
151.00426	6.1
159.03046	1.4
161.04594	13.5
161.05974	0.8
162.04929	0.8
163.00439	1.1
165.09317	0.8
169.01463	1.2
178.99937	1.5
179.05666	1.7
181.12350	5.7
183.10280	20.5
184.10565	1.1
191.05681	0.8
197.11877	1.5
225.11304	2.8
227.03482	0.6
229.01500	0.7
243.02899	1.4
243.12381	1.6
245.04407	0.7
251.11317	1.5
255.02940	1.4
255.19597	0.8
270.01682	0.9
271.02493	1.2
273.52954	0.6
299.99368	0.6
300.99921	5.9
301.03540	18.0
302.00406	1.0
302.03833	2.1
314.04385	1.1
315.04898	1.0
315.18100	0.8
327.12332	1.2
345.19168	7.9
417.24948	22.8
418.25250	2.6
424.50821	0.6
433.27908	0.8
459.22482	4.1
477.23438	94.3
478.23654	11.3
478.33929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62409	0.6
55.01880	0.8
57.03460	1.3
58.00590	1.1
59.01379	100.0
60.01713	1.5
60.87644	0.6
60.99311	1.3
61.98829	27.9
62.37278	0.6
65.00326	1.6
67.01867	0.8
68.96572	0.7
68.96962	0.6
69.03457	1.3
69.80527	0.7
69.94981	0.5
71.01385	32.5
71.72620	0.6
71.73005	0.6
72.01728	0.7
72.99310	4.6
73.02955	3.9
75.00884	2.3
79.01868	0.8
83.01389	2.4
85.02954	7.9
86.99113	1.5
87.00889	4.5
88.98809	6.7
89.02453	33.5
90.02809	0.9
91.00420	0.7
93.03487	3.0
95.01389	3.3
96.96023	1.0
97.02958	1.1
99.00890	1.4
99.04529	0.9
101.02454	20.7
107.01403	5.9
108.02203	1.2
109.02966	1.7
111.00910	1.2
113.02475	14.0
116.92884	0.7
119.03563	15.9
119.05035	43.4
120.05377	1.6
120.99652	1.5
121.02966	1.8
122.03732	4.1
123.00902	7.8
123.04570	1.6
124.01728	1.6
125.02465	31.0
126.02789	1.2
131.03493	2.2
133.02940	1.1
133.06580	0.8
136.98930	1.2
137.02483	2.8
137.30217	0.7
139.00392	1.9
139.03937	0.6
140.01172	2.0
141.01971	1.2
143.03505	3.6
145.02962	1.0
149.02451	0.9
149.04599	1.2
150.03215	0.7
151.00383	11.9
151.04041	0.6
152.01131	2.7
153.01956	1.8
153.05699	0.7
153.07425	3.4
153.09167	3.8
154.02776	1.0
160.04071	1.8
161.02454	2.1
161.04578	9.2
163.00420	0.7
163.04012	16.9
164.04430	1.2
165.01956	1.6
165.05605	1.5
166.02721	0.7
167.03477	1.6
167.07152	0.7
168.00639	2.5
169.01440	46.9
170.01781	1.7
173.02472	0.7
173.04597	1.7
177.01910	0.8
177.09291	1.2
178.49417	0.6
178.99908	2.7
179.03728	1.3
179.05627	21.2
179.07173	1.3
181.01376	0.9
181.05112	2.7
183.08517	1.9
185.02451	0.7
187.11327	1.0
191.05620	0.9
195.06578	1.3
197.06461	3.2
197.08051	0.8
197.11884	1.1
201.01936	0.8
203.03464	0.7
205.12402	5.9
209.09735	0.7
211.02475	1.9
215.50865	0.7
217.01068	0.6
219.05377	0.9
223.02379	0.9
227.07469	19.3
228.07893	1.6
229.01236	1.1
237.14723	0.6
241.07161	0.8
242.08064	1.8
245.00764	1.0
249.06194	0.7
255.07430	0.8
255.12361	0.8
255.15973	1.3
257.00937	1.5
259.09729	6.8
269.00720	1.3
270.98825	2.2
271.04581	1.3
281.06628	1.4
285.12497	1.2
286.01215	1.3
287.01941	1.9
297.00366	1.4
297.16977	0.9
298.98349	2.4
299.99167	4.4
300.09943	1.5
300.99954	37.1
301.03491	5.4
302.00336	4.1
303.08679	4.5
306.00781	0.9
312.99991	1.4
313.05612	18.7
314.00650	1.6
314.05984	1.2
315.01538	4.7
315.12457	3.0
331.00693	0.7
357.10626	0.9
377.14697	1.9
385.18661	36.6
386.18979	3.1
387.11826	5.7
389.12381	1.2
417.12372	0.9
417.17111	1.1
417.25137	4.0
433.11502	5.0
439.11365	0.8
459.09174	1.0
477.10318	68.9
478.10651	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	477.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03452	4.6
58.00604	1.7
59.01381	96.7
60.01709	1.5
61.01804	0.9
61.98833	23.7
62.46857	0.7
67.30752	0.6
68.99844	0.8
69.03456	1.4
71.01390	30.9
72.99306	4.2
73.02950	8.5
75.00881	9.7
83.01403	4.0
83.05032	0.8
85.02959	22.0
87.00873	4.9
89.02457	13.6
89.02985	1.0
95.01398	4.3
95.05077	0.8
97.02961	1.5
99.00896	10.4
99.04537	1.3
99.91828	0.6
101.02453	11.4
103.00399	1.4
105.17570	0.6
107.01404	1.1
111.00932	1.2
111.08172	0.8
113.02469	24.2
115.00392	1.4
117.01957	1.6
119.03537	1.8
121.02953	1.0
125.02487	2.6
129.01930	1.5
131.03522	1.8
139.11310	25.0
140.11635	0.8
143.03481	0.8
144.01782	0.7
149.04582	1.5
151.00380	3.6
153.00290	0.8
159.02971	1.9
161.04584	7.5
163.11349	1.6
165.09236	1.0
165.12886	6.3
175.02501	3.1
178.99904	1.5
179.05733	1.0
181.12349	11.0
182.12721	1.1
183.04562	1.0
183.10304	33.0
183.13902	72.6
184.10658	1.0
184.14276	3.1
199.13531	1.4
200.12166	0.6
205.07291	1.2
209.11906	2.0
211.04085	0.6
219.08780	2.1
225.11302	5.3
227.12843	5.8
233.06717	2.1
243.12416	2.8
249.06152	3.7
251.11302	3.1
267.07190	4.3
268.03781	1.1
283.06189	2.1
293.08838	1.7
298.08551	0.9
300.99997	5.2
301.03601	14.0
301.16632	2.9
302.03647	1.0
313.10913	1.6
345.19537	1.1
351.13104	2.2
389.10608	4.3
415.19724	6.8
417.24942	10.1
418.25458	0.9
459.22977	6.6
477.19348	51.0
477.23703	100.0
478.19647	4.9
478.24008	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	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12608	0.5
55.01874	1.8
57.01043	0.6
57.03445	4.5
58.00599	1.2
59.01381	74.1
61.98833	20.9
62.50743	0.6
68.99837	0.7
69.03458	1.8
69.85723	2.9
69.86154	1.5
71.01386	32.0
72.01732	0.6
72.99305	5.1
73.02959	7.1
75.00880	8.8
83.01392	4.5
83.05056	0.8
85.02959	19.3
87.00895	7.3
89.02454	13.6
89.20940	0.6
93.03463	0.7
95.01408	3.9
97.02927	1.0
97.06591	1.0
98.19896	1.4
99.00897	9.1
101.02458	16.0
103.00386	0.8
105.01930	1.1
105.05603	1.6
107.01408	2.5
108.02148	0.7
109.02953	1.6
111.00909	1.7
111.08179	2.6
113.02463	19.0
115.00383	0.8
117.01963	1.8
119.03532	4.5
121.02956	2.6
125.02449	2.1
126.66212	0.7
129.01973	1.5
137.02483	0.7
139.11275	1.0
143.03534	1.1
151.00380	9.1
157.01454	1.0
159.03009	1.4
161.04576	9.2
163.00371	1.5
165.12863	21.9
166.13197	1.0
169.01471	1.3
175.02463	2.3
178.99918	3.6
179.05704	1.4
181.12373	1.2
183.13916	100.0
184.14299	5.1
197.15504	2.6
199.13280	0.8
205.07106	0.7
209.11829	3.5
211.13467	1.1
225.15031	1.0
227.12901	14.0
228.13190	0.7
231.05107	0.8
243.03000	1.7
245.04439	0.9
249.06158	6.1
255.02861	1.3
267.07239	6.4
267.10843	3.6
269.13904	1.1
271.02438	2.2
273.04044	1.0
283.02344	1.1
287.37946	0.7
299.02115	1.4
299.98965	0.9
300.99927	9.9
301.03543	28.2
301.16635	2.9
302.00320	0.8
302.03900	1.7
314.04269	1.5
315.01529	0.7
315.05060	1.3
315.25351	1.5
415.19745	5.0
417.24915	18.2
418.25256	1.7
433.11249	1.0
459.18610	2.0
477.09265	2.1
477.19922	74.9
477.30728	7.6
478.20200	7.1
478.24994	1.8
478.31033	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	477.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23189	0.2
56.57701	0.2
57.03434	0.3
58.00596	0.5
59.01379	15.8
61.98837	1.8
69.03464	0.7
71.01388	13.6
71.68417	0.2
71.68842	0.3
72.01722	0.2
72.99304	1.2
73.02961	1.3
75.00874	2.7
81.03466	0.7
83.01383	1.0
85.02962	3.0
85.03456	0.3
87.00890	1.3
88.98808	1.0
89.02454	16.0
90.02827	0.2
93.03468	5.7
95.01395	1.1
96.35295	0.2
96.96015	0.3
97.02957	0.9
99.00877	0.5
101.02459	4.0
108.02213	0.5
109.02972	0.6
109.53057	0.2
111.00889	1.1
111.04510	0.2
113.02469	3.3
115.04060	0.3
116.92896	0.8
119.03529	1.6
121.02971	20.1
122.03342	0.8
123.00939	1.0
123.04540	35.8
124.01672	0.4
124.04879	1.3
125.02465	4.3
126.02792	0.3
127.00354	0.3
127.04013	0.2
131.03522	3.8
133.02986	0.2
135.04495	0.3
136.01656	0.5
137.02473	2.1
137.18616	0.2
138.05499	0.2
139.00401	0.5
139.04033	0.3
143.03514	0.7
145.02962	0.8
147.04549	0.3
149.02650	0.4
149.04578	7.0
150.04878	0.3
151.00385	0.9
151.03970	0.5
151.07675	0.4
152.01160	0.4
153.01895	0.8
157.03000	0.5
159.04596	0.2
161.02483	0.4
161.04572	1.0
163.04048	0.6
163.07603	0.4
165.05528	0.5
166.06401	1.2
166.99925	0.4
167.03522	2.0
168.00644	0.5
168.04071	0.2
169.01437	2.2
169.03835	0.3
173.02451	1.1
175.02441	0.2
179.03537	0.8
179.05643	0.8
180.07967	0.4
181.08684	1.7
182.02266	0.3
183.03099	1.0
183.04581	0.3
185.02428	2.1
189.01884	0.4
191.05594	1.4
192.07893	0.6
193.12376	0.3
194.09503	0.4
195.06645	0.4
198.07732	0.4
201.01942	1.7
207.10239	0.8
209.04611	0.7
210.08932	0.3
211.02467	0.4
216.44695	0.2
217.01443	0.5
222.09006	0.3
225.11302	0.6
226.99995	0.3
228.00652	0.2
229.01402	3.6
233.06659	0.9
237.11261	0.9
239.05533	0.6
245.00890	1.3
255.09050	0.3
255.12376	5.4
256.12558	0.4
257.00937	1.4
270.99203	0.2
271.04489	0.4
273.00455	0.4
275.01917	0.3
283.99622	2.5
285.00186	0.2
285.93222	0.3
293.08786	19.0
294.08990	1.1
299.99130	4.4
300.99890	100.0
302.00250	8.9
325.11343	0.3
415.12421	0.3
417.13391	0.4
459.11902	0.2
477.03055	15.2
477.16818	4.4
478.03415	2.3
478.15726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91135	0.2
58.00594	0.4
59.01376	10.8
60.99294	0.2
61.27209	0.1
61.98832	4.6
68.99819	0.2
69.03448	0.4
69.51367	0.3
69.51768	1.4
71.01387	8.7
72.41631	0.2
72.99310	0.5
73.02954	0.6
74.99087	0.2
75.00869	0.5
81.03478	0.5
83.01401	0.5
85.02962	1.4
87.00883	0.7
88.98816	1.2
89.02451	9.7
93.03465	5.3
95.01392	0.4
96.96033	0.2
97.02961	0.8
99.00899	0.5
101.02450	2.9
107.01402	0.3
111.00858	0.3
113.02463	2.4
115.04045	0.2
116.92878	0.6
117.03494	0.2
119.03511	0.8
121.02971	22.2
122.02506	0.3
122.03329	0.6
122.06180	0.2
123.00900	0.7
123.04536	48.5
124.04079	0.3
124.04883	1.8
125.02462	5.6
126.02824	0.2
131.03516	2.0
137.02461	0.7
138.05600	0.2
139.00386	0.3
143.03511	0.7
145.02979	0.4
147.04518	0.3
149.04565	3.8
150.03232	0.2
151.00366	0.6
151.04039	0.7
153.01918	0.4
153.05597	0.3
157.02928	0.5
161.02399	0.2
161.04581	0.6
163.00366	0.2
163.04060	0.4
165.01968	0.4
166.02863	0.2
166.05113	0.7
166.06400	0.6
166.99908	0.2
167.01759	0.6
167.03523	0.6
168.00630	0.5
169.01442	2.1
173.02473	1.0
175.03917	0.2
178.02751	0.2
179.03508	0.6
181.01451	0.6
181.05069	0.3
181.08698	0.7
183.01619	0.2
183.02968	1.3
183.06575	0.3
185.02455	2.1
188.01033	0.2
189.01869	0.2
191.03575	0.2
191.05585	0.3
195.01227	1.0
195.06538	0.2
196.03732	1.2
198.07675	0.3
200.01010	0.2
201.01950	1.6
209.02763	0.2
209.04579	0.2
211.02556	1.3
211.06081	2.3
212.01482	6.9
213.01799	0.5
215.10220	0.2
217.01389	0.2
221.96291	0.2
226.99866	0.5
227.03812	2.8
228.00565	0.2
229.01408	3.6
230.01756	0.3
233.06718	0.3
244.00121	0.4
245.00861	1.2
254.99245	0.2
257.00891	1.6
265.09476	0.2
271.04541	2.2
271.99323	0.2
273.00259	0.2
283.04987	0.2
283.10367	0.3
283.99606	2.1
284.99924	0.3
293.08783	9.3
294.09201	0.5
299.99103	5.2
300.99881	100.0
302.00238	9.0
313.05759	0.2
331.06662	0.3
343.12927	0.2
387.09378	0.6
415.12546	0.2
417.13794	0.7
477.03064	15.1
477.12823	1.6
478.03461	2.1
478.14417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
61.44983	0.3
67.01896	0.6
69.03452	0.7
69.84772	0.3
71.01023	0.6
71.01384	5.8
71.72000	0.4
72.99300	0.8
73.02946	1.0
79.01895	0.6
79.06478	0.3
83.01406	0.7
85.02953	2.4
87.00867	0.5
89.02454	2.5
95.01394	1.5
97.02981	0.9
99.00874	0.6
99.04498	0.3
101.02454	3.6
107.01405	4.0
108.02179	0.6
109.02958	1.1
111.00877	0.9
112.24477	0.3
113.02480	2.0
119.03504	0.9
123.00900	9.0
123.04551	0.4
124.01687	0.9
125.02461	21.8
126.02815	0.3
127.00403	0.4
136.98833	0.5
137.02446	0.4
139.00400	2.6
139.04002	0.3
140.01216	1.8
141.01961	1.6
143.03543	1.0
145.05063	0.7
151.00392	8.2
152.01164	1.0
153.02025	0.7
163.04054	0.4
163.06117	3.5
166.99876	0.3
167.03514	0.6
168.00652	2.3
169.01442	29.3
170.01791	1.0
209.04495	0.4
211.02483	7.3
241.03520	0.6
253.03351	0.4
271.04568	14.7
272.04880	0.4
300.99872	8.3
301.03229	0.5
306.10925	0.3
313.05676	4.5
314.05759	0.4
331.06796	0.7
477.12494	100.0
478.12878	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	477.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12288	0.5
59.01379	2.8
61.98825	2.0
65.00321	1.8
67.01888	0.5
69.42854	0.5
69.51629	4.1
71.01382	1.4
81.03482	2.2
85.02961	0.6
87.62406	0.6
91.01900	2.2
93.03442	1.7
95.01413	0.7
101.02498	0.5
107.01448	0.8
108.02211	1.2
109.02966	6.8
111.00906	0.9
119.01411	2.1
120.99269	0.6
121.02965	1.4
121.06535	0.5
123.00918	0.8
137.02467	33.3
138.02823	1.3
143.61671	0.6
147.00906	8.8
151.00404	3.7
151.33879	0.6
155.03528	1.6
163.00385	6.3
164.01186	7.6
165.01945	40.5
165.53014	0.5
166.02295	1.8
173.02457	1.1
174.03192	1.1
175.00404	6.0
176.01157	2.2
178.99866	7.1
180.00607	1.9
185.02530	0.6
189.01944	1.1
190.02711	0.9
190.99841	0.6
191.03448	0.7
199.04204	0.6
201.01994	1.1
202.02771	2.9
202.99873	25.0
204.00298	0.9
206.99312	3.3
208.00146	42.1
209.00925	61.2
210.01227	2.6
219.17180	0.7
221.00966	0.5
229.01424	0.7
230.02196	3.1
232.00195	0.7
235.02458	0.7
245.00932	1.3
246.98836	100.0
247.99236	4.9
255.19621	0.8
274.01132	0.9
278.19540	0.6
286.04114	0.7
297.07632	2.2
298.08405	1.2
300.99954	3.0
301.03540	7.3
325.07266	0.6
329.09903	0.9
356.82947	0.6
357.09952	0.6
373.09296	1.3
401.03625	0.8
401.08749	11.4
401.13803	0.7
402.09244	0.9
433.11398	6.5
477.07172	0.8
477.29065	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	477.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.7
61.98839	5.1
62.15111	0.9
64.58425	0.8
65.00330	2.0
71.01385	11.0
81.03463	1.2
83.01375	1.6
85.02954	1.7
87.00926	1.3
89.02462	13.4
89.99529	0.7
91.01897	2.5
93.03466	2.5
95.01400	1.9
98.82303	0.8
101.02476	5.0
103.12061	0.8
109.02969	7.4
113.02465	4.1
119.01414	3.0
119.03519	6.0
121.02873	1.0
123.00905	1.2
137.02470	42.2
138.02742	1.0
139.00369	1.4
147.00914	9.8
151.00375	3.7
155.03534	1.6
161.04570	2.3
163.00412	7.5
164.01213	7.7
165.01958	51.7
166.02306	1.6
175.00360	7.1
176.01183	3.3
178.99889	7.0
179.05655	6.6
180.00650	2.0
189.73434	0.9
190.02719	1.2
191.03561	1.3
202.02756	2.4
202.99873	28.4
204.00224	1.4
206.99380	4.0
208.00150	43.1
209.00928	73.8
210.01311	2.8
221.00822	1.0
230.02246	1.4
245.00919	1.5
246.98842	100.0
247.99289	3.9
249.88153	1.1
255.19614	3.5
279.01465	3.3
285.03873	1.7
297.07724	1.7
300.99933	5.9
301.03534	12.0
301.62274	1.2
321.20737	1.7
325.07040	1.0
351.21417	1.1
357.09622	1.4
373.09293	1.8
401.08728	8.4
402.09061	1.1
417.24973	11.1
433.11453	7.3
477.07343	1.2
477.29138	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	477.1038
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.02177	0.5
77.70455	0.5
98.19882	1.0
107.01392	0.9
124.01665	0.8
125.02471	2.5
137.00989	0.6
149.99565	1.2
151.00372	2.5
153.02002	0.6
167.39171	0.5
168.00655	1.8
169.01535	1.2
169.02878	0.5
171.04564	1.0
176.78313	0.6
180.72816	0.6
199.03978	3.6
201.01895	1.2
215.03534	4.4
225.02072	0.8
227.03569	4.0
236.92368	0.7
242.02200	8.0
243.02965	43.2
244.03351	1.9
246.51443	0.5
255.03020	1.0
257.04538	11.4
270.01672	10.4
271.02463	44.5
272.02737	2.7
285.04044	26.6
286.04749	8.8
299.01968	9.6
300.02710	4.0
301.03485	2.2
314.04324	53.6
315.05017	9.9
357.06467	0.6
477.10388	100.0
478.10828	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.104
Annotation	Annulatin 7-rhamnoside
Peak:m/z	Relative Intensity
50.90293	0.3
57.76013	0.3
58.75826	0.3
59.01382	3.5
61.98824	2.6
67.01896	0.4
69.03472	0.4
69.53014	0.3
69.72873	2.7
69.73194	0.6
71.01392	3.8
72.99297	0.8
73.02956	0.6
79.01915	0.6
81.03463	0.5
82.64418	0.3
83.01402	0.8
85.02968	1.3
87.00896	0.8
88.98816	1.6
89.02458	1.0
93.03481	1.0
95.01414	1.2
97.02979	1.2
99.00894	0.4
101.02490	1.9
102.26933	0.4
106.72503	0.3
107.01425	5.8
109.02968	0.6
111.00925	1.7
113.02477	1.5
119.05048	59.3
120.05363	1.8
123.00903	9.8
124.01684	1.0
125.02469	39.5
126.02821	1.1
127.00399	0.5
127.39285	0.3
133.06621	0.4
136.98830	0.6
137.02467	1.1
139.00403	2.8
140.01154	1.9
141.01971	1.1
143.03418	0.4
145.03006	0.6
151.00401	8.3
151.04019	0.5
152.01152	0.4
153.01950	0.9
161.02492	0.6
161.04681	0.7
163.04042	25.2
164.04376	1.1
165.01979	0.7
165.05612	0.4
166.99866	0.4
167.03535	0.4
168.00655	2.1
169.01450	59.5
170.01810	1.6
178.99907	0.5
179.03525	0.5
181.05070	0.5
189.89490	0.4
195.03082	0.4
211.02551	1.8
223.02554	0.5
239.92041	0.4
241.03532	0.9
253.03580	0.9
270.98944	1.2
281.06732	0.9
298.98285	1.2
299.99097	5.9
300.99927	3.1
301.03598	1.9
313.05649	21.2
314.00748	0.8
314.05975	0.9
315.01523	4.3
433.11383	6.1
434.11478	0.5
459.09470	1.9
477.10477	100.0
478.10843	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	477.1039
Annotation	8-C-Rhamnosyleuropetin
Peak:m/z	Relative Intensity
50.19370	0.5
59.01383	6.6
61.98837	3.0
69.03458	0.6
71.01376	4.2
72.99312	4.2
79.01914	1.0
85.02956	1.8
88.98818	1.9
89.02457	1.0
91.00373	0.9
93.03499	0.8
95.01427	0.9
97.02966	1.0
101.02464	1.9
102.68383	0.6
107.01392	6.0
111.00915	0.9
113.02474	1.2
118.96156	0.6
119.05044	61.2
120.05379	1.5
121.75008	0.7
123.00911	8.2
125.02467	42.5
126.02814	1.4
127.00366	0.7
134.10622	0.5
136.98842	0.6
139.00392	2.2
140.01120	1.3
141.02005	1.3
149.02374	0.5
151.00401	6.5
153.01987	0.8
161.04671	0.7
163.04028	28.9
164.04398	1.0
168.00673	2.9
169.01450	59.4
170.01782	1.6
174.57599	0.6
190.52954	0.6
201.01915	0.5
211.02554	1.6
227.07445	0.6
229.44330	0.6
241.03574	1.6
253.03555	1.7
269.00977	1.3
270.98828	1.5
297.00491	1.9
298.98462	2.6
299.99194	1.2
300.99927	9.1
301.03262	1.0
312.99973	1.3
313.05646	32.3
314.00699	2.2
314.06052	1.8
315.01593	1.0
387.12064	1.6
421.74939	0.5
433.11453	2.2
467.08429	0.6
476.26575	0.6
477.10486	100.0
478.10919	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	477.0672
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
51.73765	0.2
53.67012	0.2
57.03436	0.2
59.01384	1.2
62.52433	0.2
63.02392	1.5
65.00326	2.2
69.51808	2.0
69.91528	0.2
71.01403	1.7
73.02961	0.3
83.01395	1.8
85.02943	1.3
87.00894	0.3
91.01942	0.2
93.03455	0.9
93.26096	0.2
94.25157	0.2
95.01405	0.4
99.00872	0.4
103.00349	0.6
107.01399	4.9
107.85138	0.2
109.02963	2.9
109.43520	0.2
111.00947	0.3
113.02464	2.0
119.01400	0.6
121.02969	4.2
131.10603	0.2
135.00876	0.4
139.03983	0.3
144.53552	0.2
149.02475	1.1
151.00391	19.0
152.00778	0.6
155.05118	0.2
159.04565	0.4
161.06059	0.2
163.00381	2.8
163.04085	0.3
164.00995	0.2
165.01965	0.3
165.86008	0.2
169.01463	1.0
171.04469	0.2
173.06192	0.3
175.02557	1.5
175.03978	0.4
178.99881	9.1
180.00175	0.5
183.04504	0.5
185.06024	0.3
187.04028	0.6
190.99919	0.3
193.01447	0.2
201.05681	0.6
203.03578	0.2
211.03963	1.5
212.04657	0.3
213.01973	0.4
214.02805	0.3
227.03595	1.5
228.04114	0.3
229.05003	1.3
239.03384	0.6
243.02979	0.4
245.04541	2.2
250.76363	0.2
255.02931	3.2
256.03589	0.3
257.04434	0.3
266.02200	0.3
271.02505	0.8
273.04050	1.6
283.02411	1.8
300.02512	0.4
301.03534	100.0
302.03873	8.5
312.24332	0.2
477.06750	20.5
478.07175	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	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
61.98841	1.1
62.86640	0.2
69.99027	0.2
71.73891	0.2
78.95910	100.0
86.72252	0.2
92.90565	0.2
96.96974	8.4
121.02962	0.2
124.27785	0.2
124.63515	0.2
140.01216	0.6
141.78796	0.2
150.98044	0.3
151.00375	0.5
152.99605	17.6
153.31381	0.2
171.00656	19.8
172.00946	0.3
173.71179	0.2
214.04880	0.4
265.33304	0.2
279.23373	1.2
293.79807	0.2
300.99850	1.9
301.03534	1.2
402.24069	1.8
476.27792	65.7
477.02640	0.4
477.28036	6.3
477.33643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
96.96066	0.7
98.19805	1.2
102.39342	0.6
136.86891	0.6
137.84361	0.5
166.32069	0.5
180.06528	0.6
200.07613	0.6
204.17462	0.5
261.72128	0.6
344.71960	0.5
356.42621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
69.57911	1.2
69.58296	0.3
71.01378	0.4
76.64288	0.1
85.02950	0.5
87.00864	0.3
89.45123	0.1
95.01433	0.2
112.94514	0.1
113.02476	0.4
117.03428	0.2
125.02468	0.2
129.03500	0.3
133.03008	0.2
145.02972	0.8
157.02911	0.5
160.27052	0.1
161.04526	0.2
163.04015	0.3
166.06332	0.6
167.40889	0.2
169.01433	0.2
172.01701	0.2
173.02460	1.0
181.08716	0.6
185.02455	2.1
186.02769	0.2
189.01897	0.2
191.71698	0.1
201.01965	1.6
211.87457	0.2
213.01872	0.2
216.00508	0.2
217.01434	0.3
226.99837	0.3
229.01414	3.3
230.01750	0.3
243.81186	0.2
244.00134	0.3
245.00917	1.2
254.99492	0.2
257.00885	1.8
258.01190	0.2
271.99579	0.2
273.00342	0.4
283.99609	2.4
285.00076	0.2
299.99136	4.2
300.99887	100.0
302.00238	7.8
367.08725	0.2
477.03088	15.4
478.03506	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.2
61.98827	1.1
69.89314	1.7
71.05012	0.9
74.95392	0.2
78.95910	16.5
83.05038	0.3
85.06595	1.7
90.71183	0.3
96.96963	0.9
97.06634	0.6
98.06914	0.2
98.19920	0.3
99.08154	0.2
112.08598	0.3
123.08176	0.3
140.01212	2.1
151.00381	0.5
151.11284	0.4
152.99612	2.8
156.64291	0.2
171.00670	2.7
178.99840	0.5
195.13747	0.3
196.03795	1.1
196.17812	0.2
205.15958	0.4
209.11810	0.3
214.04814	2.9
222.19460	0.3
223.17041	0.7
224.17323	0.7
239.16542	0.2
240.16937	0.3
261.22217	0.5
274.18863	0.3
279.23279	100.0
280.23630	8.0
300.99872	2.6
301.03540	1.9
303.23309	0.7
304.23752	0.9
305.24829	5.6
306.25198	10.1
307.25363	0.4
314.44727	0.3
337.23935	0.4
338.24231	0.9
402.23990	0.3
431.35254	0.3
432.35651	2.2
475.15997	0.3
475.34067	0.7
476.27762	19.5
476.34619	23.2
477.28107	2.3
477.34805	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
59.58004	0.3
61.98833	100.0
63.02441	0.4
64.50262	0.4
71.01395	2.1
71.76306	0.7
72.06765	0.4
72.09366	0.4
73.02948	0.6
79.71627	0.3
83.05066	0.5
85.02975	0.7
85.06580	1.9
86.06904	0.5
87.65979	0.3
89.02470	1.0
99.00931	0.4
100.83841	0.5
101.02473	1.1
107.01440	0.7
109.02986	0.7
113.02489	0.7
121.02979	0.7
125.02499	0.5
127.07716	2.7
128.08034	0.9
137.02449	2.5
147.00931	0.5
151.00406	2.4
163.00455	0.8
164.01170	0.7
165.01878	2.1
171.06676	1.7
172.06984	0.6
178.99924	1.7
183.13924	1.0
184.14276	0.8
202.99887	1.5
208.00166	2.8
209.00903	3.1
227.03459	0.5
227.12933	0.5
243.03018	0.4
246.98842	5.1
254.18742	0.4
300.99997	5.0
301.03647	8.7
314.04291	0.5
375.14105	0.5
394.68378	0.5
413.22043	0.7
416.30362	0.5
433.11450	0.6
476.27325	4.1
477.07172	1.3
477.28842	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	476.2781
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.94352	0.2
59.01366	0.6
60.01772	0.2
61.07495	0.2
61.39550	0.2
61.98828	2.2
65.00306	0.2
70.39456	0.2
78.95908	51.1
81.65284	0.2
85.03017	0.2
96.96973	2.6
102.57076	0.2
104.97482	0.3
107.01394	0.4
121.02934	0.3
122.00134	1.1
123.22192	0.3
134.46159	0.2
140.01207	5.5
151.00294	1.3
152.99599	7.6
163.00381	0.4
166.02786	0.3
171.00642	5.9
172.75444	0.2
178.99916	0.5
196.03807	11.5
197.04134	0.3
201.01852	0.3
214.04855	2.6
261.22296	0.3
279.23273	100.0
280.23630	7.6
284.00027	0.3
298.94348	0.3
300.99884	6.3
301.03537	4.7
402.24176	0.7
475.36267	0.4
476.27798	52.1
477.02454	0.6
477.27979	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	475.3792
Annotation	Sipholenol F
Peak:m/z	Relative Intensity
59.01376	0.4
61.98818	0.6
64.87549	0.1
68.31197	0.1
71.31643	0.3
78.62558	0.1
85.06601	1.6
96.96042	0.1
97.06588	0.3
101.43665	0.2
108.82881	0.1
137.09746	0.4
139.11295	1.5
141.12849	0.2
175.06868	0.1
185.11880	0.3
219.69727	0.1
250.77106	0.1
289.25314	1.0
319.88495	0.1
359.29459	0.3
361.30988	0.2
413.37921	2.6
414.38339	0.3
415.35794	0.6
429.37344	0.9
431.39014	0.6
443.24283	0.2
473.36151	0.3
475.37933	100.0
476.38293	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
59.58004	0.3
61.98833	100.0
63.02441	0.4
64.50262	0.4
71.01395	2.1
71.76306	0.7
72.06765	0.4
72.09366	0.4
73.02948	0.6
79.71627	0.3
83.05066	0.5
85.02975	0.7
85.06580	1.9
86.06904	0.5
87.65979	0.3
89.02470	1.0
99.00931	0.4
100.83841	0.5
101.02473	1.1
107.01440	0.7
109.02986	0.7
113.02489	0.7
121.02979	0.7
125.02499	0.5
127.07716	2.7
128.08034	0.9
137.02449	2.5
147.00931	0.5
151.00406	2.4
163.00455	0.8
164.01170	0.7
165.01878	2.1
171.06676	1.7
172.06984	0.6
178.99924	1.7
183.13924	1.0
184.14276	0.8
202.99887	1.5
208.00166	2.8
209.00903	3.1
227.03459	0.5
227.12933	0.5
243.03018	0.4
246.98842	5.1
254.18742	0.4
300.99997	5.0
301.03647	8.7
314.04291	0.5
375.14105	0.5
394.68378	0.5
413.22043	0.7
416.30362	0.5
433.11450	0.6
476.27325	4.1
477.07172	1.3
477.28842	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	475.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17534	0.3
56.10209	0.3
57.03433	0.5
57.53236	0.3
59.01385	1.4
59.57998	0.3
61.98832	2.5
69.03477	0.3
70.74439	0.2
71.05018	1.0
71.53382	0.3
71.57127	0.3
73.02948	1.4
78.95908	21.1
85.06600	5.9
87.04517	1.2
96.96983	1.8
97.06596	1.6
108.68700	0.3
110.14223	0.3
123.08178	11.3
125.09734	0.5
135.08139	0.4
137.09744	1.3
149.09718	1.2
151.11304	1.0
152.99608	3.8
153.12856	0.3
163.11317	0.4
171.00648	4.6
191.10693	0.3
191.14355	0.3
192.21123	0.3
195.13818	0.3
195.17558	1.0
200.31229	0.3
205.16003	0.6
207.13890	6.1
207.17479	0.3
209.15474	25.1
210.15823	1.8
221.15460	0.6
223.17097	2.1
233.15433	0.3
235.17030	1.5
247.17072	0.8
249.18590	1.1
263.20148	1.2
279.23422	0.7
281.87033	0.3
284.31531	0.3
307.78857	0.3
327.79868	0.3
331.26563	0.4
333.27948	1.4
387.28922	0.4
402.24078	0.5
431.35602	2.6
432.35724	0.5
457.33694	2.0
475.34338	100.0
476.27853	17.0
476.34702	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	475.343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01377	1.5
61.98837	1.0
68.79806	0.2
71.05026	6.6
71.07805	0.6
74.19604	0.2
74.45115	0.2
75.92226	0.2
78.95912	4.3
83.05019	0.3
84.48597	0.2
85.06599	7.7
87.04507	0.2
96.96960	0.2
97.06606	2.2
99.08191	1.0
109.06622	0.3
111.08169	1.1
121.06574	0.5
123.08160	0.7
123.55853	0.2
125.06049	0.3
125.09707	0.9
130.10428	0.3
137.09724	0.8
139.11314	1.2
149.09706	0.5
151.11272	0.6
152.99593	0.5
163.11075	0.2
165.12836	0.3
169.08757	0.3
171.00633	0.6
171.14844	0.2
177.12930	0.4
179.14426	0.5
187.14919	0.3
189.12839	0.8
193.16010	0.3
195.17517	1.1
197.15480	0.8
203.14243	0.4
205.15967	3.4
207.17538	1.3
221.19034	1.2
239.16530	7.2
239.20282	0.8
240.16940	0.6
251.20157	1.2
273.18552	2.1
275.20062	0.3
279.23279	4.7
293.69296	0.3
303.23303	8.8
304.23688	0.5
305.24860	74.7
306.25220	5.6
333.28079	0.5
337.23862	8.6
338.24261	0.8
383.22238	0.4
397.31204	0.4
411.32681	0.2
413.34555	1.3
429.33557	0.6
431.35391	5.6
432.35745	0.4
445.33228	0.9
457.33368	0.3
475.34311	100.0
476.27847	3.2
476.34656	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	475.2693
Annotation	Lucidenic acid C
Peak:m/z	Relative Intensity
57.03453	2.7
59.01379	14.1
61.98831	8.8
65.03949	2.9
66.31403	1.7
69.03465	2.3
71.01392	3.1
71.05023	2.6
73.17641	1.3
78.95908	55.3
79.64420	1.2
83.05024	2.0
85.06597	4.1
87.00908	1.6
87.04534	2.1
93.03494	1.5
95.05030	2.2
96.96970	4.0
97.06604	5.2
98.20641	2.7
99.04510	1.3
105.07138	1.5
109.06593	2.7
123.08174	2.7
125.06139	2.6
125.09727	13.8
129.07109	1.5
135.08200	3.3
149.06223	1.4
150.55890	1.5
152.99614	8.0
153.09166	1.7
159.59749	1.4
161.09650	1.8
170.95615	1.5
171.00652	8.2
171.10271	1.7
175.31931	1.3
185.11893	9.3
187.14923	3.0
189.87683	1.5
203.14455	3.0
205.12346	4.3
207.13777	1.7
209.11812	9.4
213.12836	5.2
214.05031	1.6
221.15543	5.5
228.14847	1.6
231.13916	7.8
233.11798	4.2
249.14932	4.0
261.18652	2.2
271.88126	1.4
277.21732	9.0
278.22067	33.6
279.22202	1.9
287.16730	1.9
289.14340	1.8
329.24722	2.2
339.23267	3.6
357.24506	1.6
365.21082	2.4
373.23743	3.5
383.22186	12.1
399.29401	1.7
401.23196	8.9
413.30359	3.7
429.30170	3.4
431.31479	3.3
447.31284	2.1
457.25839	100.0
457.31836	3.4
458.26257	15.6
475.26898	74.3
475.33987	64.8
476.27048	5.3
476.34381	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	475.3431
Annotation	2,3-diepi-25-Methyldolichosterone
Peak:m/z	Relative Intensity
52.32274	0.9
57.03442	1.6
59.01367	3.0
61.98835	17.8
64.84785	1.0
71.04994	0.9
71.74268	1.0
71.74683	1.6
85.06602	24.1
97.06607	1.3
99.08163	1.2
100.39417	1.0
123.08108	1.0
125.06101	2.2
125.09727	2.5
127.07681	1.6
139.11356	2.7
160.39569	1.1
207.17522	2.8
265.14655	1.4
267.98199	1.1
274.52792	1.0
285.02026	1.0
305.24866	11.9
306.25385	1.2
337.24353	1.0
343.26309	1.1
359.29443	4.3
375.32690	60.4
376.33002	4.6
415.32205	28.0
416.32541	3.1
419.31680	25.8
420.32449	1.6
431.31390	2.3
457.33551	5.8
475.34326	100.0
476.34875	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	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26825	1.1
57.03442	1.4
59.01379	42.2
60.99309	14.5
61.98836	7.4
69.03439	2.1
69.50080	9.2
71.01384	22.0
73.02947	7.2
75.49265	0.9
83.01379	2.8
85.02956	12.4
87.00874	1.6
88.00380	1.2
88.98815	100.0
89.02453	15.3
89.74586	1.0
89.99225	1.4
95.01378	2.6
97.02984	1.2
99.00885	3.4
101.02459	20.9
113.02455	10.7
117.05561	2.1
119.03513	2.2
120.07813	0.9
121.02984	2.7
123.00875	3.2
124.01673	4.4
125.02457	18.4
131.03511	15.1
137.02463	1.9
143.03552	1.4
149.99593	5.0
151.00439	1.2
159.02982	2.1
161.02426	4.3
161.04584	13.0
161.08191	1.4
163.03928	1.5
168.00662	14.7
168.61943	1.2
169.01393	7.9
171.94621	1.0
190.71611	1.0
211.02551	1.6
225.05954	1.4
271.04761	1.6
283.11884	46.9
284.12158	2.9
285.03760	1.0
313.05621	6.5
323.70029	1.1
377.32120	1.2
415.16110	11.8
415.23193	4.7
416.23593	1.3
475.08521	1.3
475.14206	31.7
476.14703	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	475.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.4
58.00596	0.6
58.59178	0.4
59.01376	100.0
60.01720	0.6
61.98829	7.0
69.03475	0.5
71.01384	17.7
71.05041	0.8
71.68061	0.9
72.01733	0.4
72.99290	0.7
73.02950	4.8
73.03300	0.6
83.01402	2.1
83.05034	1.0
85.02958	5.6
87.00900	1.5
89.02458	8.0
95.01409	1.0
97.06612	0.7
99.00905	1.5
99.04517	3.3
99.09860	0.4
101.02451	12.2
101.03079	0.9
104.18552	0.5
107.08675	0.6
109.06606	4.5
113.02460	6.7
119.03516	3.6
120.05829	0.5
121.06613	3.4
123.08199	0.5
125.02483	2.6
133.06624	0.8
137.09792	0.7
143.03528	1.1
145.03009	0.8
159.03017	1.3
161.04591	9.3
161.13229	0.6
163.11311	0.6
165.12878	1.6
175.04042	0.4
179.05647	2.7
181.12422	1.4
183.04422	0.5
183.10410	0.7
189.12885	3.4
191.10838	1.9
207.13901	24.2
208.14284	2.0
209.11813	5.8
211.04005	9.6
212.04362	1.0
217.65117	0.5
223.08191	3.0
224.04887	1.0
224.86423	0.5
225.05611	1.0
225.11389	0.8
230.67836	0.5
239.03470	19.0
240.03886	2.0
251.12857	5.9
252.13342	0.6
253.04980	2.1
253.18066	1.0
254.05818	15.3
255.06207	1.8
269.08154	4.7
270.08670	0.8
298.04996	1.3
298.08704	0.7
313.07166	36.1
314.07578	3.6
333.91464	0.4
369.06824	0.4
415.23328	9.8
415.28549	0.8
416.23837	1.5
431.30374	0.7
445.13193	0.7
457.20990	2.0
475.21957	62.7
475.29056	7.2
476.22275	7.4
476.29120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.4
57.03442	2.5
58.00603	0.6
59.01382	100.0
60.01711	0.7
61.98838	7.4
69.50137	4.4
69.50479	0.6
71.01388	15.9
71.05041	0.8
72.99319	1.2
73.02956	4.6
75.00903	0.9
81.03451	0.7
83.01389	2.3
83.05060	0.6
85.02967	6.7
87.00888	1.6
87.04549	0.5
89.02446	8.3
91.56444	0.4
92.79109	0.4
93.03468	0.6
95.01411	1.1
97.02998	0.6
97.06618	1.9
99.00903	1.6
99.04537	3.3
101.02460	12.3
107.05055	1.1
108.02184	0.5
109.06608	6.0
113.02477	7.1
119.03513	2.3
120.05801	0.8
121.06626	3.4
125.02480	2.7
127.09743	0.4
131.03554	0.8
133.06618	0.9
140.01312	0.4
143.03510	1.5
145.02994	1.0
147.11763	0.5
152.01190	0.6
159.02977	1.0
161.04588	10.3
161.05869	0.9
161.13400	0.5
163.11331	1.3
165.12936	1.0
167.10826	0.9
175.04041	0.5
179.05647	3.1
181.12390	2.0
183.10324	0.7
189.12875	3.5
190.13226	0.5
191.10796	1.8
207.13910	28.0
208.14345	1.6
209.11870	6.6
211.04013	10.3
212.04465	0.7
223.08235	3.1
224.04794	0.8
225.05624	1.3
225.11237	0.6
235.17078	0.5
239.03505	17.5
239.05962	1.0
240.03833	1.9
251.12904	6.6
253.05167	2.3
253.18050	1.0
254.05823	15.2
255.06265	1.5
269.08197	4.4
269.13992	0.7
270.08527	0.5
298.04919	1.0
298.08487	0.5
311.08514	0.5
313.07184	34.1
313.10318	1.3
314.07571	3.1
415.23456	10.4
416.23654	0.8
429.14716	0.5
457.20963	1.5
475.21979	65.6
475.28983	6.3
476.22293	6.3
476.28891	1.1
499.21017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.8
57.03465	0.9
58.00592	0.8
59.01383	29.1
59.10150	0.6
60.99310	14.4
61.98830	6.4
61.99608	0.9
69.03476	0.7
69.60625	0.7
69.64179	6.0
71.01392	12.7
72.01730	0.8
72.42439	1.0
72.99303	2.7
73.02951	2.0
74.99126	0.9
75.06049	0.7
83.01407	1.2
85.02958	3.0
87.00895	1.5
88.98820	100.0
89.02455	20.9
89.99143	1.0
95.01413	1.4
97.02965	1.5
98.19901	1.5
99.00896	1.7
101.02467	10.7
107.01391	3.4
111.00890	2.4
112.31104	0.9
113.02448	3.9
117.05573	1.3
119.03506	4.1
121.02979	3.4
123.00934	4.7
124.01715	1.9
125.02470	26.5
136.98828	0.8
137.02435	1.1
139.00392	2.6
140.01158	2.4
143.03636	0.9
145.03030	1.3
149.02493	1.0
151.00400	3.2
161.02502	1.0
161.04530	2.2
161.08237	0.9
163.04065	1.1
165.05553	0.9
166.06380	1.0
167.03563	2.2
168.00682	16.1
169.01454	34.0
170.01768	1.3
179.05658	1.6
179.07140	1.1
179.10762	1.5
181.08734	3.5
211.02492	51.6
212.02887	2.3
235.08153	1.4
235.54904	0.8
241.03606	1.2
271.04593	45.9
272.04913	3.8
313.05731	0.8
313.12802	2.3
319.13965	1.0
323.13470	13.1
324.13885	1.0
331.06720	3.0
343.13876	2.9
415.23273	2.7
475.14014	64.5
476.14331	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	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51067	0.5
54.20980	0.5
57.83818	0.5
59.01381	7.2
60.99308	13.1
61.98830	0.5
69.84804	3.1
71.01389	4.2
73.68415	0.5
83.01392	0.8
85.02993	1.1
87.00883	0.8
88.00420	1.0
88.98816	100.0
89.02454	14.3
93.03435	0.6
98.20519	0.7
101.02450	1.7
107.01419	0.9
113.02438	1.9
117.05588	2.1
119.03506	1.8
121.03013	0.6
123.00878	1.7
124.01667	0.6
125.02470	7.2
134.01927	0.5
139.00410	0.6
140.01129	1.0
151.00247	0.7
156.70949	0.5
161.02451	0.7
161.04578	0.7
161.34933	0.5
167.03442	0.5
168.00642	3.9
169.01436	8.7
177.21458	0.5
179.03499	0.6
179.05711	0.5
183.02983	0.8
211.02501	9.9
271.04575	11.3
323.13416	4.5
443.11798	1.6
475.14359	17.9
476.14694	1.7
483.27722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12422	0.6
51.66340	0.6
54.76451	0.6
59.01381	18.2
60.99313	8.2
62.97133	0.6
63.93806	0.6
69.37496	6.3
71.01386	10.6
72.99316	1.2
73.02957	0.8
75.99289	0.8
76.41908	0.6
77.41902	0.6
81.03452	0.7
83.01374	1.0
85.02941	1.2
87.00867	1.9
88.00435	0.7
88.98816	61.9
89.02448	15.9
91.61924	0.7
91.69836	0.6
101.02451	6.2
107.01424	4.7
111.00903	1.9
113.02428	3.5
119.03523	4.5
123.00877	2.5
124.01687	1.6
125.02464	26.7
127.00365	1.0
129.34970	0.7
136.98778	2.1
139.00386	1.9
140.01161	3.1
151.00401	2.3
155.76958	0.7
165.01956	1.4
167.03513	1.4
168.00659	16.7
169.01443	41.8
170.01753	1.9
179.05692	1.0
204.07924	0.8
210.23878	0.7
211.02487	65.5
212.02817	2.9
241.03467	0.9
271.04572	60.7
272.04910	2.8
323.13470	21.8
323.16431	0.5
324.13846	1.7
331.06622	2.6
349.11072	0.7
383.51224	0.7
429.13626	0.9
475.14529	100.0
476.14822	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22849	0.6
55.01857	0.8
57.03429	1.5
57.49521	0.7
59.01379	38.3
60.99309	5.1
61.86704	0.8
61.98831	9.6
64.76036	0.8
67.01890	1.2
69.03459	1.3
69.55658	4.2
69.56078	2.1
71.01390	18.2
72.99316	2.2
73.02943	3.8
73.52396	0.8
75.81433	0.8
81.03484	0.8
82.90829	0.7
83.01388	2.3
85.02953	5.6
87.00887	1.9
88.00402	1.2
88.98812	36.5
89.02448	20.0
93.03484	1.0
95.01383	2.1
97.02960	1.9
99.00895	1.7
99.04502	1.0
101.02454	13.8
107.01389	5.3
111.00893	4.0
113.02454	8.1
114.43198	0.7
117.05578	1.5
119.03522	5.8
119.05032	1.0
121.02963	5.2
123.00892	6.4
124.01649	2.6
125.02463	37.4
127.00416	1.0
131.03543	1.4
136.98792	1.8
137.02444	1.4
138.03186	0.8
139.00404	4.3
139.03996	1.3
140.01147	5.7
141.01839	0.8
143.03506	1.2
145.02925	1.3
147.46553	0.8
151.00433	3.7
161.02455	1.0
161.04549	3.0
161.08134	1.1
165.01964	1.2
165.05569	2.0
166.06360	3.0
166.99870	0.9
167.03535	2.6
167.07140	3.0
167.99350	1.5
168.00656	18.1
169.01442	49.8
170.01787	2.5
179.05626	1.7
179.10727	1.3
181.01462	0.9
181.08702	4.3
183.02985	1.4
192.56949	0.8
211.02484	71.5
212.02821	3.3
225.03952	0.8
225.05812	1.0
235.08337	0.8
241.03313	1.3
246.07028	0.7
271.04572	67.8
272.04843	3.2
313.05609	1.4
313.12637	3.6
323.13477	23.0
324.13821	1.5
331.06677	3.9
343.13950	5.5
345.41214	0.8
415.23904	4.2
475.13907	100.0
476.14453	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	475.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	9.6
72.99312	2.1
89.02452	1.3
104.64258	0.5
113.45531	0.5
115.00391	31.7
123.79296	0.6
124.42850	0.6
133.01454	100.0
134.01816	1.5
140.22491	0.5
384.13196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37617	0.5
57.97825	0.5
59.01376	6.4
61.98823	2.5
64.34508	0.6
71.01364	3.5
71.56385	0.9
73.02942	1.0
81.96151	0.5
83.05039	0.6
85.02951	1.4
85.06612	0.8
86.92365	0.5
87.00896	0.5
88.40548	0.5
89.02435	2.0
101.02451	1.4
108.02168	0.5
109.02928	0.6
113.02447	1.7
118.98113	1.3
123.04578	0.7
131.73003	0.5
132.02220	1.0
137.06049	0.6
140.10513	0.5
160.01675	1.7
161.04523	1.2
165.12831	1.3
172.01653	0.7
176.01120	1.4
177.01949	0.9
183.04625	1.1
185.02489	0.7
188.01176	1.7
197.06165	1.4
199.04065	0.6
200.01173	2.0
201.01974	1.1
201.09285	1.2
209.06107	1.1
209.11859	6.4
211.03998	2.0
211.07739	0.6
213.02017	0.6
214.02905	0.7
214.99837	0.8
216.00682	1.4
223.03912	0.6
225.05627	1.9
227.03542	1.8
228.00763	2.7
229.01393	2.3
232.00154	2.4
237.05652	0.8
239.03496	2.3
239.07274	1.1
240.04015	0.7
240.07857	0.7
241.01459	1.6
241.04947	0.6
244.00090	0.6
245.00835	0.7
246.98741	1.1
251.03493	1.7
253.05048	6.0
254.05783	0.8
255.02969	1.0
256.03888	0.9
259.99609	26.6
261.00058	1.9
266.02118	0.8
267.03079	4.5
267.06369	3.8
269.04468	1.5
269.07764	0.6
271.09738	0.7
271.99637	1.2
273.00339	1.0
280.03403	0.8
281.04623	4.2
283.02420	0.7
285.04047	1.0
289.18039	1.0
295.06088	5.0
296.06845	3.1
297.04025	1.6
298.04803	7.6
308.03217	0.7
311.02011	1.6
311.05545	1.1
311.09207	1.2
312.02628	1.4
319.01016	1.2
319.18994	0.7
323.05554	2.8
325.03531	7.5
326.04272	2.9
327.08679	1.2
340.05887	5.3
341.06134	0.8
343.21149	1.2
355.08224	8.4
356.08682	0.7
387.24850	0.5
399.07233	100.0
400.07562	9.8
415.23431	1.2
475.08868	4.9
475.21021	0.6
475.26889	10.9
476.27527	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	474.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.97260	0.7
70.05145	0.5
71.17925	1.6
76.02644	0.6
83.12992	0.6
100.05167	0.6
100.41650	0.5
125.67319	0.6
442.87036	0.7
474.28763	3.6
474.36865	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	475.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37617	0.5
57.97825	0.5
59.01376	6.4
61.98823	2.5
64.34508	0.6
71.01364	3.5
71.56385	0.9
73.02942	1.0
81.96151	0.5
83.05039	0.6
85.02951	1.4
85.06612	0.8
86.92365	0.5
87.00896	0.5
88.40548	0.5
89.02435	2.0
101.02451	1.4
108.02168	0.5
109.02928	0.6
113.02447	1.7
118.98113	1.3
123.04578	0.7
131.73003	0.5
132.02220	1.0
137.06049	0.6
140.10513	0.5
160.01675	1.7
161.04523	1.2
165.12831	1.3
172.01653	0.7
176.01120	1.4
177.01949	0.9
183.04625	1.1
185.02489	0.7
188.01176	1.7
197.06165	1.4
199.04065	0.6
200.01173	2.0
201.01974	1.1
201.09285	1.2
209.06107	1.1
209.11859	6.4
211.03998	2.0
211.07739	0.6
213.02017	0.6
214.02905	0.7
214.99837	0.8
216.00682	1.4
223.03912	0.6
225.05627	1.9
227.03542	1.8
228.00763	2.7
229.01393	2.3
232.00154	2.4
237.05652	0.8
239.03496	2.3
239.07274	1.1
240.04015	0.7
240.07857	0.7
241.01459	1.6
241.04947	0.6
244.00090	0.6
245.00835	0.7
246.98741	1.1
251.03493	1.7
253.05048	6.0
254.05783	0.8
255.02969	1.0
256.03888	0.9
259.99609	26.6
261.00058	1.9
266.02118	0.8
267.03079	4.5
267.06369	3.8
269.04468	1.5
269.07764	0.6
271.09738	0.7
271.99637	1.2
273.00339	1.0
280.03403	0.8
281.04623	4.2
283.02420	0.7
285.04047	1.0
289.18039	1.0
295.06088	5.0
296.06845	3.1
297.04025	1.6
298.04803	7.6
308.03217	0.7
311.02011	1.6
311.05545	1.1
311.09207	1.2
312.02628	1.4
319.01016	1.2
319.18994	0.7
323.05554	2.8
325.03531	7.5
326.04272	2.9
327.08679	1.2
340.05887	5.3
341.06134	0.8
343.21149	1.2
355.08224	8.4
356.08682	0.7
387.24850	0.5
399.07233	100.0
400.07562	9.8
415.23431	1.2
475.08868	4.9
475.21021	0.6
475.26889	10.9
476.27527	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	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
61.98827	0.4
71.23221	0.6
71.23569	0.4
78.95909	100.0
90.24022	0.3
96.96975	7.9
122.00124	0.4
140.01190	3.9
148.66940	0.3
152.98343	0.7
152.99600	16.0
171.00661	17.0
196.03804	5.5
214.04861	1.8
275.20132	0.5
277.21716	50.6
278.22055	2.7
355.52121	0.3
400.22528	1.3
413.30432	0.5
430.34140	0.5
474.26285	72.7
474.32794	5.0
475.26160	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	473.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53411	0.6
58.27769	0.6
59.01388	1.3
61.98832	4.9
69.92881	1.1
69.93271	4.0
78.95928	0.8
85.06602	1.9
91.80264	0.6
98.19897	0.8
152.99640	0.8
167.61052	0.7
172.89268	0.7
234.02400	0.6
241.97159	0.7
272.13284	0.6
287.62939	0.6
413.34161	11.2
414.34592	0.9
429.37662	1.4
473.36469	100.0
474.36844	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	473.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01379	3.4
59.90596	0.3
61.98830	3.9
63.27388	0.3
71.05012	1.1
83.05068	0.4
84.26813	0.3
85.06563	0.3
97.06558	0.3
111.08286	0.3
229.41455	0.5
399.28986	0.6
411.32562	0.9
413.34122	1.0
429.33655	1.0
455.31970	0.5
456.31735	0.4
473.36737	100.0
474.37091	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	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43488	0.2
59.01380	2.3
61.98823	2.0
68.01518	0.3
71.01351	0.5
78.95908	28.7
83.05000	0.3
86.10681	0.2
96.96973	1.7
97.06583	0.5
111.17018	0.2
122.00146	0.2
123.08120	0.3
123.26205	0.3
125.09696	0.3
140.01202	2.3
143.30090	0.3
152.99605	4.4
162.83911	0.5
171.00647	4.2
196.03860	1.3
214.04855	3.2
233.22714	0.4
242.96683	0.3
259.20648	0.6
271.55807	0.2
275.20053	0.5
277.21716	100.0
278.22070	7.5
278.25128	0.2
291.81525	0.2
292.21149	0.2
356.32318	0.3
381.78186	0.3
401.22989	0.3
413.30740	0.4
430.34369	0.4
431.32300	0.3
444.59216	0.2
457.25784	1.8
473.36151	0.8
474.26309	24.8
474.32187	1.4
474.37445	6.7
475.26834	3.8
475.34286	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	473.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.2
59.01380	0.6
61.98832	1.6
67.19057	0.2
69.42100	1.6
71.01376	0.2
71.05008	0.4
79.56811	0.1
83.05022	0.2
97.06620	0.3
104.06050	0.1
110.94653	0.2
121.03006	0.2
131.03571	0.2
179.49828	0.2
205.15961	0.2
221.19128	1.0
261.18637	1.9
277.21863	0.4
327.29376	0.2
359.30951	0.3
411.32816	0.3
413.30591	0.5
425.34409	0.2
427.36310	0.2
429.33188	1.1
429.38748	0.3
455.31787	0.3
473.36560	100.0
474.36935	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	473.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33237	0.2
59.01371	0.2
59.98518	0.3
61.98834	0.8
66.43746	0.2
68.25251	0.2
95.48539	0.2
103.27682	0.2
112.68242	0.2
152.99620	0.2
179.14459	0.4
189.12874	1.4
191.14426	2.3
195.17516	0.3
205.16025	2.5
206.16347	0.2
207.17551	7.1
208.17937	0.4
228.36923	0.2
230.70244	0.2
255.80157	0.2
258.30594	0.2
265.18069	12.5
266.18515	0.9
267.19595	3.8
283.66248	0.2
409.34818	0.5
411.32791	0.4
413.34387	1.1
429.28833	0.3
429.37384	16.7
430.37750	2.5
473.36438	100.0
474.36890	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	473.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.6
59.01374	1.3
61.98833	2.2
63.89014	0.2
69.43266	1.0
69.43691	1.4
71.01392	0.3
71.05029	0.4
71.20348	0.2
81.07126	0.6
83.05023	0.3
85.21263	0.2
87.00915	0.3
89.02483	0.3
104.16645	0.3
123.08178	0.4
153.09236	0.6
194.53400	0.2
253.24709	0.3
313.25473	0.6
373.27499	11.3
374.27795	1.3
398.93994	0.3
401.30627	0.6
411.32727	0.5
455.31894	0.5
473.36542	100.0
474.36987	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	473.3272
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
59.01370	0.6
61.98829	0.4
71.05037	1.3
83.05016	0.6
104.92825	0.6
108.82869	0.2
118.52840	0.2
123.08134	0.3
177.95764	0.2
209.11778	0.5
220.14856	0.5
221.15482	0.7
229.51698	0.3
236.10529	0.8
293.17688	0.6
363.27002	0.3
375.26837	0.3
377.28543	0.4
379.30188	0.2
391.29987	0.6
393.31589	0.5
399.21902	0.4
409.31119	0.6
411.32840	0.9
413.30701	1.3
425.30618	1.0
429.33957	0.5
441.30267	0.5
453.29965	0.3
455.31665	15.0
456.32217	1.9
473.32703	100.0
474.26163	0.5
474.33066	10.7
499.30624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59004	0.4
52.59163	0.9
56.14520	0.3
57.03443	2.4
59.01375	4.6
60.99312	0.7
61.98833	2.9
64.54241	0.4
71.05025	2.1
71.61559	0.6
73.02968	0.4
75.00842	0.3
78.95838	0.3
83.05015	0.7
83.32214	0.4
85.79053	0.3
87.04514	0.5
109.06577	0.4
118.10798	0.3
125.06055	0.4
213.17897	0.4
376.41183	0.4
393.31470	0.7
395.29510	0.7
397.27377	0.9
399.29144	1.2
401.30258	0.5
409.34619	0.8
411.33203	1.9
413.30109	1.4
413.35098	2.5
429.34067	3.5
455.31717	1.5
473.37216	100.0
474.37549	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	473.3272
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
50.75831	0.3
57.03437	0.3
59.01363	1.1
61.98831	2.3
73.02925	0.3
77.56930	0.2
78.95905	0.3
83.05014	0.3
83.05832	0.3
85.06560	0.4
98.19842	0.8
134.51447	0.3
147.17360	0.3
206.63652	0.3
229.56851	0.3
232.04053	0.3
234.72429	0.3
310.93033	0.3
353.27911	0.3
369.31573	1.3
385.34760	0.5
411.32324	0.4
413.30640	4.0
414.30472	0.5
429.33710	11.2
430.34320	1.3
445.59274	0.4
455.31464	3.4
473.32437	100.0
474.32852	13.0
491.32782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3272
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
57.03443	0.4
58.00605	1.0
59.01380	1.0
60.21121	0.2
61.98820	0.7
71.01385	0.6
73.02954	11.5
85.02964	0.9
87.04523	0.3
125.09770	0.3
140.49510	0.2
229.72839	0.2
264.60718	0.2
391.30090	1.0
393.31787	0.2
395.29553	0.2
397.31351	1.1
398.31375	0.2
399.32953	1.5
409.31378	0.2
411.32880	0.5
413.26248	0.2
429.29285	0.2
429.33984	2.3
430.34058	0.4
455.31433	0.4
473.32758	100.0
474.33118	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	473.3273
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
52.42548	0.2
53.64579	0.3
57.03451	6.6
59.01383	7.9
60.99297	0.8
61.28026	0.2
61.98816	1.1
69.03452	0.6
71.05007	1.0
73.02975	0.3
83.05023	1.1
85.06586	0.4
85.37296	0.3
88.63132	0.3
95.04993	0.4
97.06560	0.4
125.09684	0.5
139.11208	0.3
179.14314	0.3
194.83725	0.3
261.07886	0.3
308.44861	0.3
331.26306	1.0
341.24652	0.4
341.28577	0.4
355.26013	0.3
357.28201	0.3
371.29517	0.3
379.26474	0.5
381.28326	0.6
383.25668	0.8
393.31433	1.8
395.29800	1.3
397.27399	3.6
399.29089	4.7
400.29242	0.4
401.30658	0.4
409.30804	0.4
411.33163	1.9
413.30557	7.9
414.30737	0.5
427.31766	0.6
429.33896	7.5
430.33972	0.8
455.31891	1.4
473.32526	100.0
474.32794	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	473.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94002	0.1
57.03450	1.2
57.40598	0.2
57.59365	0.1
59.01381	0.3
60.24488	0.1
61.98825	0.3
69.03456	0.6
79.43507	0.1
82.95708	0.1
98.19818	0.3
235.40596	0.1
339.26520	0.2
369.28113	0.4
395.29596	0.2
411.28836	0.2
427.32449	0.2
429.33795	2.9
430.34070	0.3
473.32706	100.0
474.33063	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	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00777	0.8
57.03454	2.5
58.72346	0.6
59.01382	94.0
61.98835	9.9
66.85184	0.6
71.01386	7.7
71.05035	0.9
71.74180	1.1
72.99316	1.0
73.02960	1.4
83.01434	0.9
83.05048	2.0
85.02963	2.3
87.00883	2.1
89.02458	3.9
93.26511	0.7
95.01393	1.2
96.96043	0.7
99.04547	1.6
101.02460	5.0
102.98618	3.5
113.02446	4.4
115.04070	0.8
119.03542	2.1
119.05022	1.0
119.08775	0.8
121.02991	1.0
123.04518	1.0
135.08183	0.7
137.09747	11.5
139.11349	0.7
145.03001	1.3
161.02481	0.8
161.04604	2.0
163.11345	0.7
180.83206	0.6
183.14027	0.8
207.17587	1.6
209.11877	8.1
213.15100	1.7
245.00986	1.2
251.16521	100.0
252.16879	6.8
261.00372	1.2
275.16464	2.1
283.04950	2.3
290.00528	1.2
293.17685	1.0
305.17905	1.0
341.19708	1.3
413.21405	1.1
473.22980	2.0
473.26999	2.9
473.33661	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	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.9
59.01381	100.0
60.01709	1.9
60.12897	0.7
61.98832	10.0
67.67659	0.7
71.01384	7.6
71.05006	0.7
71.24596	1.0
71.24928	0.9
72.99329	1.6
73.02956	2.7
75.00871	1.0
83.01418	0.9
83.05029	1.4
85.02973	3.6
87.00880	1.9
89.02457	3.4
95.01421	0.8
97.73935	0.6
99.00932	0.8
99.04549	1.7
101.02472	5.2
102.98598	4.1
109.06562	1.0
113.02454	3.6
116.92865	1.0
119.03501	1.6
119.04977	0.9
119.08675	1.1
121.02977	1.0
123.04513	0.9
125.02493	1.2
131.03488	0.7
137.06067	0.8
137.09738	11.0
138.10068	0.9
145.02965	1.6
161.04588	2.4
163.04086	0.9
163.11273	1.2
181.08768	0.8
183.13902	1.0
189.01891	0.9
207.17577	2.0
209.11870	7.8
213.14999	1.3
221.06665	0.7
246.01517	0.7
251.16527	96.1
252.16901	7.7
261.00522	1.1
274.01050	0.7
275.16547	1.3
283.04932	3.6
290.00778	1.2
293.17694	0.7
392.20706	1.0
409.87582	0.7
413.21793	1.0
473.25775	4.4
473.32663	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	473.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72489	0.2
55.01881	0.5
57.03447	0.7
59.01381	10.1
61.98840	1.9
67.01894	1.0
68.63383	0.3
69.03458	0.5
71.01388	4.9
71.05004	0.3
72.99305	0.7
73.02943	1.7
75.00856	0.3
79.01903	1.1
81.03474	0.4
83.01389	1.7
85.02973	2.2
85.31461	0.3
87.00882	0.9
87.04552	0.4
89.02457	1.2
93.03463	1.7
95.01399	2.3
96.96035	1.9
96.96947	0.3
97.02963	0.6
99.00883	0.8
101.02463	3.9
101.06026	0.3
107.01404	2.5
108.02196	0.3
109.02949	0.6
110.00134	0.4
111.00877	2.3
111.04507	0.3
113.02479	1.6
119.03539	0.4
119.05074	0.3
123.00903	14.7
124.01675	1.1
125.02461	13.3
126.02861	0.3
127.00361	0.7
134.60376	0.2
135.04506	0.5
136.98825	1.4
137.02457	0.7
139.00395	4.0
140.01199	3.0
141.01955	2.2
147.04630	0.5
151.00394	11.6
151.03928	0.4
152.00813	0.4
153.01944	0.9
161.04556	0.8
161.09758	1.1
161.13383	0.7
163.03996	0.4
163.11418	0.3
168.00662	3.9
169.01445	17.0
170.01846	0.4
173.04553	3.8
174.04935	0.3
179.03520	0.5
179.05646	0.3
179.10760	0.9
187.11325	1.8
189.09218	0.8
191.05559	0.6
205.12329	1.2
207.10338	0.4
209.04485	0.4
211.02425	0.4
215.10593	0.4
223.08180	1.2
223.13423	0.4
227.03558	0.4
227.07167	1.0
249.11568	0.3
255.03009	1.6
256.03406	0.3
267.12137	0.4
284.03195	1.3
285.03992	1.8
286.04239	0.4
297.84570	0.3
313.05673	1.1
332.43481	0.3
364.08865	0.8
413.22275	0.5
447.09485	0.6
473.20273	100.0
474.20654	9.5
474.27390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48852	5.9
59.01376	89.7
61.98825	23.5
69.39287	66.2
71.01390	39.6
73.02948	15.2
75.47209	5.3
79.89903	5.5
79.95691	6.2
83.05027	8.2
84.27080	5.0
85.02958	16.6
89.02449	17.0
93.03455	29.8
96.96026	49.2
98.19817	12.2
99.00926	7.8
101.02457	25.1
113.02459	17.9
115.73309	5.6
121.02973	100.0
122.31387	5.6
125.02444	11.1
137.09727	10.1
140.34030	6.6
151.04103	7.0
160.20935	6.4
183.13942	9.9
251.16554	25.6
437.23904	95.4
438.24179	7.5
458.19363	6.6
458.62961	7.2
473.20825	79.7
473.32776	9.1
474.21881	10.6
487.30756	40.4
488.30878	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
57.03456	0.8
58.00596	2.3
59.01379	100.0
60.01713	0.5
61.02959	0.5
61.98833	7.4
69.34676	4.6
71.01385	42.6
72.01749	0.5
72.99306	2.6
73.02971	2.2
74.19315	0.4
81.03437	0.4
83.01395	1.4
83.05045	0.5
85.02958	5.6
87.00877	2.1
89.02452	56.6
90.02821	0.6
95.01414	2.3
97.02955	0.5
99.00910	1.0
99.04535	0.5
101.02456	21.7
102.02843	0.5
106.94575	0.4
107.03587	0.5
111.00901	0.6
113.02459	16.8
119.03519	20.3
119.04934	3.3
120.03866	0.5
122.06149	0.8
123.00896	3.2
123.04566	0.7
125.02466	6.5
131.03517	3.4
132.04591	1.2
137.02492	0.7
137.09714	2.6
139.00357	2.3
141.09250	1.1
143.03517	5.1
145.03024	0.8
149.04581	3.4
151.00378	2.6
151.03967	0.5
152.07228	1.4
152.99588	0.4
153.02025	0.8
159.10326	0.7
161.04585	6.5
164.04813	4.9
168.00711	1.2
169.01456	3.0
175.11212	0.4
179.05672	22.8
179.07182	4.4
179.43025	0.5
180.06081	0.8
191.05586	0.5
207.94972	0.4
211.02420	0.6
215.14441	2.6
271.04547	0.7
272.75549	0.4
293.08801	2.3
297.12372	0.5
313.05533	0.6
321.15582	3.9
341.15256	0.7
369.14703	1.7
413.22330	2.2
414.22855	0.5
455.15881	0.5
473.16827	17.9
474.17267	1.8
474.30286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41823	0.7
55.01871	1.1
59.01382	21.9
60.73484	0.6
61.98832	1.3
62.65812	0.7
69.03448	1.5
69.40733	8.0
70.73962	0.7
71.01393	11.7
71.05025	7.2
72.12193	0.8
73.02944	2.6
81.03461	3.2
83.01392	1.5
85.02962	6.0
87.00868	1.5
89.02456	8.6
93.03471	1.4
95.01405	3.5
97.02950	2.1
98.19754	1.3
99.00901	1.4
99.04537	11.1
101.02458	17.6
107.01448	1.0
108.02193	83.9
109.02977	81.9
110.03322	1.4
113.02493	3.9
119.05052	20.8
121.02940	1.7
123.00893	4.1
123.04508	1.4
125.01608	1.1
125.02470	16.7
131.03505	2.2
133.02980	0.8
135.00899	4.7
135.04559	1.0
143.03528	2.5
149.04564	2.7
151.03973	1.7
152.01183	90.1
153.01968	42.3
154.02269	1.6
155.57060	0.8
161.04572	3.4
163.04005	1.2
165.01944	1.4
166.02672	0.8
167.03534	14.1
169.01451	2.5
179.05710	0.9
205.05096	0.9
232.10431	0.7
256.45020	0.6
265.62711	0.7
293.08749	5.6
297.06232	2.3
315.07269	11.1
329.08707	4.1
357.08276	28.6
358.08707	1.4
374.45190	0.8
413.21884	1.4
416.60516	0.7
455.11847	6.0
471.66141	0.8
473.12949	100.0
473.58295	0.9
474.13455	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	471.3481
Annotation	Wilforic acid C
Peak:m/z	Relative Intensity
53.62862	0.4
59.01365	0.5
61.98825	1.7
62.63932	0.3
69.50242	0.6
69.50654	2.7
71.01356	0.5
71.05016	0.8
80.87123	0.3
92.69965	0.4
97.06610	0.4
102.80462	0.3
137.09717	0.6
160.84268	0.6
179.48170	0.3
189.12915	1.3
191.14407	2.2
205.16014	2.4
207.17555	7.2
219.17592	0.7
221.19063	0.5
263.16492	4.6
264.17041	0.5
265.18100	1.5
296.40302	0.3
373.48584	0.4
409.35046	0.8
411.32773	1.0
427.35864	15.4
428.36130	1.6
441.33472	2.4
453.33829	1.0
471.34808	100.0
472.35135	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	473.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53074	0.6
55.01864	0.7
59.01381	32.0
60.92861	0.6
69.03455	1.1
69.43621	1.7
69.44028	5.9
71.01387	7.9
71.05031	9.9
73.02940	6.4
76.19868	0.7
81.03445	1.6
83.01432	0.7
85.02963	5.2
87.00889	9.8
89.02468	6.0
93.03465	0.9
95.01396	3.5
97.02974	0.8
98.20705	1.2
99.00878	0.9
99.04531	5.6
101.02449	7.2
107.01377	0.9
108.02193	80.6
109.02976	78.8
110.03265	2.1
111.00887	1.0
113.02480	4.1
115.04037	0.9
119.03481	2.2
121.02934	1.9
123.00942	4.0
123.04515	1.3
125.02460	11.3
133.02950	0.9
135.00897	4.8
135.04544	1.8
137.02443	0.7
139.00378	0.8
140.01111	1.1
143.03499	1.5
151.00313	0.9
151.03973	1.4
152.01178	74.1
153.01965	48.3
154.02258	1.0
157.13899	0.6
161.04573	4.1
163.03970	1.7
165.01936	1.4
166.02698	1.1
167.03519	15.3
168.00626	2.0
169.01425	6.7
175.00323	1.2
177.01859	0.9
177.85127	0.6
179.05597	2.9
190.02672	3.3
205.05042	3.0
205.98650	1.5
211.02496	13.5
212.02736	0.8
221.00893	1.7
223.06058	0.8
236.03230	2.1
241.03560	0.6
241.06052	0.6
249.07523	1.1
251.05588	2.4
251.16435	3.8
271.04575	19.0
272.04736	0.7
293.06729	0.7
297.06024	1.9
313.13055	0.9
315.07269	8.0
317.98178	0.8
327.12317	0.6
329.08713	5.1
331.06693	1.8
357.08304	4.9
371.09836	23.4
372.10349	0.8
413.21790	5.3
437.10876	19.1
438.10870	0.8
455.11661	1.9
473.12842	100.0
474.13104	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	471.3482
Annotation	CHEBI:67911
Peak:m/z	Relative Intensity
51.36695	0.3
60.99315	0.5
61.98825	0.6
70.07029	2.0
73.05352	0.3
80.63728	0.3
82.08789	0.3
98.20503	0.6
112.93713	0.4
137.09749	0.5
186.61543	0.4
189.12793	0.4
191.14433	0.4
193.45601	0.4
205.16017	0.7
207.17590	2.6
208.17918	0.5
219.17371	0.3
254.04576	0.4
263.16522	2.4
265.18106	0.4
393.31619	7.7
394.31982	1.1
409.34784	9.8
410.35123	1.0
427.35849	7.5
428.35980	1.0
453.33643	1.4
471.34799	100.0
472.35132	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	471.348
Annotation	Hispidone
Peak:m/z	Relative Intensity
51.46906	0.2
57.03445	2.3
59.01386	0.3
61.98828	0.6
63.65102	0.2
64.81215	0.3
71.01376	0.5
71.19801	0.2
71.20155	0.5
129.92496	0.2
143.24905	0.2
177.46353	0.2
385.35361	0.3
393.31644	1.3
394.32217	0.3
397.31155	0.4
409.34747	0.9
411.32773	1.0
427.36005	0.7
453.33810	0.4
471.34818	100.0
472.35190	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	471.3481
Annotation	Wilforic acid C
Peak:m/z	Relative Intensity
59.01379	0.8
60.99313	1.2
61.98822	0.7
66.15377	0.2
70.64017	0.5
71.01372	0.3
71.05022	0.5
77.27592	0.2
78.61144	0.2
78.95920	0.3
83.05062	0.4
83.43275	0.2
84.84804	0.2
85.06602	5.8
97.06602	0.4
110.32531	0.2
111.08173	0.5
137.09750	0.4
139.11298	1.3
148.80486	0.2
152.99649	0.5
237.18686	0.5
248.17233	0.3
279.23459	0.3
313.25446	0.5
320.76556	0.2
393.31601	0.8
395.29816	0.4
409.35046	1.5
411.32706	15.6
412.32898	1.9
425.34235	1.0
427.35944	2.6
428.12042	0.2
428.36554	0.4
453.33765	2.3
455.31924	0.5
471.34814	100.0
472.35187	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	471.348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.2
59.01372	0.4
61.37178	0.2
61.98831	0.3
70.46014	0.7
71.05016	0.3
85.06593	0.2
97.06587	0.3
120.62193	0.2
209.85963	0.2
219.62059	0.2
234.83710	0.1
234.86078	0.2
389.28735	0.2
391.30063	0.2
405.31839	0.9
406.31851	0.3
407.33145	0.8
423.33057	0.6
425.34583	0.2
435.37534	0.2
441.33569	0.3
451.32181	1.1
453.33813	4.3
454.34015	0.6
471.34830	100.0
472.35168	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	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52354	0.2
64.92365	0.2
69.55983	1.8
81.60955	0.2
91.42462	0.2
98.20570	0.4
106.69435	0.2
130.04291	0.2
138.75500	0.2
471.34790	100.0
472.35156	10.7
472.42111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	0.2
68.81921	0.2
70.99548	0.4
85.83595	0.2
94.88372	0.2
136.54250	0.1
138.91510	0.2
151.14981	0.1
161.98286	0.2
377.28369	0.2
393.31525	0.8
394.32297	0.2
405.31503	0.2
407.33023	0.2
423.32831	0.8
424.33072	0.2
463.71463	0.2
471.34760	100.0
472.35101	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	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01386	1.5
61.98829	1.9
66.55291	0.4
67.03725	0.3
70.21924	1.2
70.22347	0.7
71.01398	0.4
71.05028	0.5
73.26151	0.4
83.05053	0.6
83.12962	0.4
85.06615	0.4
96.44660	0.4
97.06606	1.8
99.28868	0.4
107.84283	0.4
114.41859	0.4
114.73746	0.4
139.11327	2.4
162.83994	0.5
174.07251	0.4
183.10327	0.7
201.11418	1.3
202.03108	0.4
237.33325	0.4
268.14310	0.4
287.22641	0.5
289.21814	1.0
389.28696	0.6
391.29984	0.9
405.31860	1.0
407.33121	2.9
409.31412	1.7
411.32761	5.3
412.33267	1.0
427.36343	3.6
428.36176	0.6
451.32144	3.4
453.33832	11.8
454.34479	1.8
471.34998	100.0
472.35278	15.0
497.32709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.348
Annotation	Odoratone
Peak:m/z	Relative Intensity
57.26482	0.1
60.26567	0.1
72.82446	0.1
92.88355	0.1
116.04521	0.1
137.09729	0.2
228.73013	0.1
339.26910	0.4
391.30002	0.2
407.33206	4.3
408.33478	0.5
439.32147	0.2
469.33002	0.3
471.34811	100.0
472.35172	11.3
472.42090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3116
Annotation	Comnostin D
Peak:m/z	Relative Intensity
50.61389	0.4
57.03441	0.7
57.76569	0.4
59.01369	1.8
60.99289	0.7
61.98822	2.7
70.24158	0.4
72.97085	0.4
82.49683	0.4
92.75313	0.4
97.06597	0.8
111.00855	0.5
123.08172	1.2
125.09737	3.0
140.64211	0.4
149.57446	0.4
166.84079	0.4
175.11264	0.7
183.13881	2.3
187.09686	1.3
205.12305	0.7
226.21762	0.5
229.79082	0.4
249.32930	0.4
261.13397	0.7
267.39645	0.4
351.58994	0.5
375.26828	1.1
377.28525	8.8
378.28821	1.0
379.29996	2.0
389.28400	2.4
391.30283	2.4
393.27863	0.5
407.29544	17.6
408.30081	2.7
425.30774	4.2
426.30978	0.7
427.32632	0.7
441.30191	2.5
453.29840	2.0
471.30963	100.0
472.31357	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	471.3116
Annotation	Comnostin D
Peak:m/z	Relative Intensity
51.73234	0.4
57.03442	0.4
58.00596	1.0
59.01379	1.5
60.99302	1.5
61.98822	1.6
69.40587	1.9
69.41009	2.5
71.05025	13.6
72.05372	0.5
84.23209	0.4
84.87046	0.4
85.06610	1.1
97.61767	0.5
98.19798	0.9
100.22480	0.4
284.34186	0.4
287.20078	1.0
305.22696	0.7
323.23788	1.2
391.30441	0.6
392.11465	0.4
395.29605	0.8
409.31067	1.4
423.29019	4.7
424.29453	0.7
427.32480	1.2
429.29993	0.5
437.30716	0.5
439.27316	0.6
439.32275	7.7
440.32263	0.7
451.32159	0.7
453.29376	1.7
453.33914	2.6
469.33231	11.4
470.33575	1.4
471.30280	100.0
472.30826	13.6
483.30927	0.8
489.36258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85466	0.8
55.01865	2.4
56.23032	0.8
57.03444	1.6
59.01379	59.2
60.01688	0.8
61.98557	0.9
61.98831	12.7
67.01882	0.7
69.03400	0.6
71.01387	31.9
71.71210	1.3
72.00912	0.6
72.01737	1.2
72.99313	2.4
73.02958	12.3
74.02463	0.7
75.00881	1.1
78.95898	2.0
80.96539	0.7
81.03459	1.1
82.95451	0.9
83.01385	5.3
84.95116	4.5
85.02962	18.7
85.06593	0.7
87.00900	3.9
88.98813	0.9
89.02437	4.4
95.00846	0.7
95.01373	3.9
96.96033	1.9
96.96961	4.0
97.02953	1.2
98.95625	1.4
99.00905	6.1
99.05683	1.1
99.92593	19.1
100.92628	1.6
100.93363	1.6
101.02454	34.2
102.02829	0.7
108.02177	8.6
109.02969	7.2
111.00896	2.0
113.02467	13.2
115.92097	29.1
116.92875	100.0
117.39776	0.8
117.92906	7.5
119.03533	1.9
119.05030	1.8
121.02975	8.4
123.00877	4.1
125.02473	10.6
127.00377	1.6
128.03561	1.4
129.01947	1.2
131.03522	28.3
133.02985	0.8
135.04524	1.4
137.02426	3.5
139.00391	2.0
139.04097	0.8
140.01093	0.9
142.94420	2.1
143.03558	1.8
143.04651	1.9
145.03003	3.6
145.05048	0.8
145.08717	2.8
149.04532	0.8
151.00436	2.0
151.03999	1.1
152.01181	9.7
153.02007	3.9
159.03053	3.8
159.04567	2.1
161.02510	1.6
161.04584	12.0
163.04027	1.7
168.00664	2.0
169.01454	9.3
170.93907	6.0
177.05649	1.7
179.03345	0.9
184.95515	2.5
205.05135	3.1
211.02411	1.0
233.04610	1.9
236.95000	2.4
254.07880	0.8
256.94028	1.4
265.07263	3.0
271.04684	1.2
272.09097	1.1
273.94287	1.1
279.14496	83.6
280.12177	0.9
280.14819	4.7
281.11578	1.3
298.12305	0.8
300.99887	0.8
315.07236	0.8
325.11517	1.9
357.08475	2.3
409.02634	2.6
409.14212	1.0
411.18726	22.9
412.19049	1.8
427.12631	1.5
453.01590	2.9
453.14740	2.3
471.02521	14.6
471.15512	31.8
471.35214	1.1
472.02521	3.3
472.16119	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	471.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85466	0.8
55.01865	2.4
56.23032	0.8
57.03444	1.6
59.01379	59.2
60.01688	0.8
61.98557	0.9
61.98831	12.7
67.01882	0.7
69.03400	0.6
71.01387	31.9
71.71210	1.3
72.00912	0.6
72.01737	1.2
72.99313	2.4
73.02958	12.3
74.02463	0.7
75.00881	1.1
78.95898	2.0
80.96539	0.7
81.03459	1.1
82.95451	0.9
83.01385	5.3
84.95116	4.5
85.02962	18.7
85.06593	0.7
87.00900	3.9
88.98813	0.9
89.02437	4.4
95.00846	0.7
95.01373	3.9
96.96033	1.9
96.96961	4.0
97.02953	1.2
98.95625	1.4
99.00905	6.1
99.05683	1.1
99.92593	19.1
100.92628	1.6
100.93363	1.6
101.02454	34.2
102.02829	0.7
108.02177	8.6
109.02969	7.2
111.00896	2.0
113.02467	13.2
115.92097	29.1
116.92875	100.0
117.39776	0.8
117.92906	7.5
119.03533	1.9
119.05030	1.8
121.02975	8.4
123.00877	4.1
125.02473	10.6
127.00377	1.6
128.03561	1.4
129.01947	1.2
131.03522	28.3
133.02985	0.8
135.04524	1.4
137.02426	3.5
139.00391	2.0
139.04097	0.8
140.01093	0.9
142.94420	2.1
143.03558	1.8
143.04651	1.9
145.03003	3.6
145.05048	0.8
145.08717	2.8
149.04532	0.8
151.00436	2.0
151.03999	1.1
152.01181	9.7
153.02007	3.9
159.03053	3.8
159.04567	2.1
161.02510	1.6
161.04584	12.0
163.04027	1.7
168.00664	2.0
169.01454	9.3
170.93907	6.0
177.05649	1.7
179.03345	0.9
184.95515	2.5
205.05135	3.1
211.02411	1.0
233.04610	1.9
236.95000	2.4
254.07880	0.8
256.94028	1.4
265.07263	3.0
271.04684	1.2
272.09097	1.1
273.94287	1.1
279.14496	83.6
280.12177	0.9
280.14819	4.7
281.11578	1.3
298.12305	0.8
300.99887	0.8
315.07236	0.8
325.11517	1.9
357.08475	2.3
409.02634	2.6
409.14212	1.0
411.18726	22.9
412.19049	1.8
427.12631	1.5
453.01590	2.9
453.14740	2.3
471.02521	14.6
471.15512	31.8
471.35214	1.1
472.02521	3.3
472.16119	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	471.1144
Annotation	Clofazimine
Peak:m/z	Relative Intensity
51.67947	0.3
52.65215	0.4
55.01855	0.5
57.03450	0.5
57.94138	0.3
59.01377	4.9
61.98828	4.5
69.03468	1.2
69.25593	0.3
70.19894	0.3
71.01389	7.3
71.05027	0.4
71.08204	0.4
71.37309	0.6
72.99313	0.8
73.02955	3.6
75.00916	0.3
81.03461	1.9
83.01394	3.7
83.05031	3.1
85.02959	5.0
87.00885	0.7
89.02454	1.5
90.33028	0.4
93.03469	7.9
94.03799	0.4
95.01395	2.8
96.96025	2.1
96.96973	0.8
97.02982	0.6
99.00881	1.4
99.04533	0.7
101.02465	3.9
102.02712	0.3
108.02191	39.4
109.02975	33.6
109.03757	0.5
110.03322	0.8
111.00903	3.3
111.04540	8.0
113.02468	2.3
116.92860	0.9
117.03480	0.4
117.05634	0.4
119.05048	0.5
119.83432	0.3
121.02993	0.9
123.00886	1.9
123.04527	1.1
125.02456	1.9
127.04012	0.8
129.01920	0.4
131.03520	0.8
133.05067	0.4
135.00832	0.7
135.04538	0.9
137.02452	6.3
143.03510	0.5
145.02972	1.2
149.00723	0.4
151.04013	1.9
152.01173	53.2
153.01965	21.2
155.03542	2.2
161.02455	0.7
161.04572	1.4
163.04018	2.0
165.01950	1.5
169.01445	1.5
171.02039	0.5
173.02480	0.4
173.04572	1.4
177.01932	0.9
181.04956	0.4
189.02020	0.5
191.34447	0.4
199.43977	0.4
225.04053	0.4
274.81818	0.4
275.01685	0.5
279.14636	2.3
293.12399	0.4
295.10373	0.9
297.06250	0.9
300.99750	0.8
311.13391	0.4
313.11145	0.4
315.07224	14.9
316.07547	1.2
333.06601	0.4
411.18536	0.9
427.01981	2.6
427.07910	1.3
435.09381	0.7
450.01511	0.6
453.10382	5.1
454.10437	0.5
471.11417	100.0
471.34494	1.3
472.11688	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	469.3322
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.77280	0.1
59.01371	0.3
60.49287	0.2
61.98815	0.5
71.01396	0.2
71.05678	0.4
78.95895	0.2
97.06625	0.2
97.63046	0.2
110.02505	0.1
191.74925	0.2
425.33191	0.2
469.33224	100.0
470.33560	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	469.3323
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.18516	0.2
57.03443	1.5
61.98787	0.3
69.03421	0.2
70.29353	0.8
83.05037	0.8
138.92888	0.1
178.18195	0.2
237.66219	0.2
371.29266	0.2
389.28638	0.3
391.29971	0.3
393.27911	0.7
397.30905	0.3
405.31537	0.7
407.28751	1.1
407.33414	0.6
409.31085	1.1
421.31183	0.5
423.32660	23.0
424.33047	3.3
425.34219	14.4
426.34573	2.0
439.32123	0.2
469.33206	100.0
470.33548	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	469.3324
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.95337	0.2
62.57119	0.2
71.05022	0.9
71.05653	0.4
71.05962	0.2
78.76226	0.2
93.64008	0.2
95.05026	0.4
116.07594	0.2
118.35901	0.2
220.66347	0.2
345.08896	0.2
405.31564	0.8
441.19376	0.2
469.33218	100.0
470.33557	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	470.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79088	0.4
52.01650	0.4
55.13062	0.4
57.42250	0.4
59.01380	8.7
60.99301	0.4
61.98831	29.6
68.84357	0.4
69.03457	3.2
69.23318	0.5
71.01387	5.0
71.57262	0.4
71.69210	0.8
72.99311	1.2
73.02947	1.4
76.87735	0.4
78.48479	0.4
79.01887	0.6
80.91705	1.0
81.03474	1.6
82.95441	0.5
83.01389	1.6
85.02960	2.2
87.00896	1.8
88.98823	2.1
89.02433	2.1
93.03460	0.7
95.01371	2.2
96.96032	0.8
97.02966	3.6
99.00866	0.8
99.92601	1.8
101.02453	1.9
107.01414	1.4
108.02200	4.4
109.02962	5.4
111.00886	0.5
111.04518	0.5
113.02477	2.2
114.04815	1.0
114.05625	17.9
115.05965	0.5
115.92078	2.6
116.92885	9.9
117.03470	1.3
119.05051	1.6
121.02985	2.1
123.00897	6.5
123.04538	0.6
124.01685	16.4
125.02464	58.1
126.02818	2.0
127.04070	0.4
129.05565	0.6
133.03023	0.4
133.06573	0.5
135.04558	1.0
136.01674	1.2
137.02464	4.9
138.05672	0.5
139.00420	0.6
139.04030	0.8
145.02957	4.8
148.04082	0.5
149.02464	0.8
149.06126	0.7
149.99603	26.7
151.00404	3.1
151.04044	1.1
152.01163	3.6
153.01981	4.6
156.06680	5.4
157.05048	0.6
161.02498	0.9
161.04556	0.9
161.06075	0.7
163.04037	1.8
165.01974	1.0
166.05060	1.0
167.03499	1.6
168.00661	52.3
169.01442	20.6
170.01756	0.9
177.01988	0.5
178.09288	0.4
179.03473	0.6
189.07668	0.4
191.03439	0.5
191.05592	0.4
193.01405	1.1
193.22112	0.4
205.05049	0.7
210.04147	0.5
229.77147	0.4
233.04533	0.6
234.05331	5.1
249.03670	0.5
249.07660	9.6
261.14453	0.4
269.06897	0.5
271.04669	0.5
272.11276	0.9
278.13531	0.7
297.06018	0.7
297.11621	0.5
300.99802	1.3
302.00125	0.9
313.05707	4.5
331.06674	0.6
367.10162	0.6
407.09793	4.2
426.01871	0.5
435.87769	0.4
452.11798	1.8
452.17551	1.3
470.13037	100.0
471.02213	1.9
471.14337	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	469.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46469	0.4
51.98703	0.4
59.01381	100.0
60.01719	1.0
61.98833	4.9
69.43463	1.2
69.43882	2.8
71.01389	4.7
72.99323	0.5
73.02955	1.7
82.99159	0.3
83.01407	0.8
85.02950	2.4
85.06645	0.4
87.04540	0.7
89.02462	0.8
93.03485	0.4
95.01385	0.4
99.00919	1.1
101.02456	5.6
108.02185	7.2
108.02876	0.5
109.02988	4.1
113.02468	1.8
115.04044	0.5
123.00919	1.1
124.01688	0.4
125.02463	4.2
125.33491	0.4
127.07689	0.6
137.02473	1.1
139.04047	3.6
149.99596	0.8
151.04076	0.4
152.01178	7.2
153.01990	2.4
159.03023	0.8
161.04584	2.5
168.00708	1.6
169.01428	3.8
171.06761	0.6
175.03993	0.5
179.65056	0.4
188.71411	0.3
219.08749	2.7
223.70126	0.4
237.09810	10.2
238.10181	0.5
257.49738	0.4
271.02560	0.5
279.10855	16.0
280.11282	0.6
299.99258	0.6
300.02676	0.7
300.99954	0.7
315.07352	0.4
317.04028	0.6
377.14716	1.2
393.04327	0.5
433.07751	0.7
451.12619	1.1
469.13062	10.7
470.13800	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	469.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
57.03439	3.0
57.28979	0.7
58.00582	1.0
59.01379	72.8
61.98830	17.5
68.99828	0.8
69.03477	0.8
69.39516	4.3
69.39954	2.5
71.00990	1.5
71.01385	30.2
72.99315	1.9
73.02947	12.3
83.01387	6.7
85.02958	18.1
87.00905	1.7
89.02453	6.3
95.01390	2.0
96.96013	0.8
97.02975	0.9
99.00902	6.7
101.02455	39.2
109.02952	1.2
111.00877	1.8
113.02464	13.7
119.03540	1.0
119.05080	1.1
125.02425	2.0
129.01945	1.1
131.03520	40.5
132.03883	0.9
137.02444	0.8
143.03516	1.8
150.43140	0.8
152.01131	1.2
153.01973	1.2
159.03041	2.4
161.04561	11.1
163.03958	1.1
168.07971	0.9
179.05705	1.0
185.67451	0.8
188.30336	0.8
217.01535	0.8
235.06244	0.8
243.99644	0.7
251.21126	0.7
277.16556	100.0
278.16907	7.0
298.34167	0.8
299.99310	1.0
300.99835	1.0
321.15787	0.8
403.10483	0.8
409.20792	36.8
410.21097	4.0
417.47867	0.7
425.01355	1.2
425.08920	0.7
439.23138	1.2
469.11295	0.7
469.17209	4.4
469.24188	2.0
469.30746	0.8
470.17984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30198	0.7
55.01871	1.3
57.03441	2.6
58.00590	1.6
59.01379	100.0
60.01710	1.0
61.83905	0.7
61.98832	21.2
69.03447	6.4
71.01385	36.4
71.72592	1.1
72.99298	1.8
73.02950	12.9
73.83794	0.7
78.95889	0.8
81.03466	1.4
82.95431	7.3
83.01400	6.0
83.02500	2.0
83.05021	1.8
83.99255	0.8
84.00912	0.9
85.02956	18.5
85.06596	13.9
87.00891	3.8
87.04521	10.2
89.02454	21.9
93.03491	1.2
95.01406	4.0
95.05022	0.9
96.96015	0.9
97.02959	2.4
99.00912	3.9
99.04520	2.9
101.02457	30.2
102.02786	1.0
103.04015	1.5
107.05050	0.8
108.02223	3.9
109.02953	3.5
111.00861	1.9
111.04519	3.0
113.02466	17.3
113.06096	4.1
114.05629	1.2
115.04005	3.5
117.05597	14.3
119.03510	11.3
123.00896	3.0
123.04559	2.1
124.01675	1.7
125.02467	12.3
126.02830	1.2
127.03996	5.0
129.05576	4.7
135.04520	1.1
135.06656	20.1
137.02464	3.1
139.04028	7.9
141.05571	1.3
143.03517	4.0
149.04626	1.0
149.99518	1.8
151.00403	1.4
152.01178	4.5
153.01884	1.7
153.05621	1.0
157.05148	1.1
159.03082	1.0
159.06651	6.0
159.18727	0.8
161.02490	1.3
161.04578	11.6
163.04036	1.8
165.01952	15.2
166.02180	0.9
167.03490	0.8
168.00633	4.3
169.01448	13.8
170.01746	1.1
171.01886	1.4
172.01700	3.2
177.07703	5.4
179.03503	1.9
179.05583	2.1
180.04286	10.8
189.07707	2.3
195.06636	18.5
196.06921	1.2
200.01152	1.0
201.07698	1.9
204.99547	0.9
210.05258	2.0
216.00575	2.2
225.07672	11.2
228.00676	2.6
235.04324	1.0
244.00131	3.5
263.58667	0.9
270.98785	4.5
271.99518	3.0
279.10852	80.6
280.11215	4.3
282.98743	1.9
283.99545	1.1
297.11917	50.2
298.12265	2.5
298.98349	9.9
299.99103	45.1
300.99850	30.7
302.00238	2.5
309.11938	0.9
313.05655	1.5
339.12946	15.8
347.07782	1.2
409.23862	1.3
425.01544	10.4
425.09973	1.6
426.01630	1.3
437.16751	0.9
469.08661	6.5
469.14273	7.3
470.13483	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	469.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55144	0.8
55.01877	2.1
56.21489	0.7
57.03448	2.6
58.00615	1.7
59.01381	100.0
60.01720	0.9
61.95008	0.7
61.98834	7.1
63.99282	0.7
69.03467	0.9
69.77365	5.0
71.01385	38.9
72.99329	2.1
73.02951	20.3
73.66367	0.6
75.00882	1.8
78.95922	0.8
79.95749	0.9
81.03481	4.0
81.03902	0.7
82.95427	0.9
83.01390	6.9
83.05058	1.1
83.54287	0.7
85.02960	20.3
85.06597	15.1
87.00889	3.1
87.04539	0.7
89.02456	22.7
89.02978	1.5
93.03476	0.8
95.01414	3.0
96.96024	39.4
97.02972	2.9
99.00919	3.1
99.04517	4.7
99.80553	0.7
101.02458	28.6
102.02840	0.8
103.04030	5.8
108.02188	1.4
109.02991	1.2
111.00925	2.0
111.04538	2.1
113.02465	18.0
113.03218	1.0
113.06115	3.9
113.92640	1.5
114.93448	4.7
115.00391	0.8
115.04065	4.5
117.05617	5.0
119.03522	14.1
119.05045	0.7
121.02956	4.8
123.00884	1.1
123.04524	0.8
124.01688	1.7
125.02477	4.0
126.02827	0.8
127.04057	2.9
129.05643	1.1
131.03532	1.1
135.06653	16.6
137.02454	1.4
139.04027	8.6
142.21603	0.6
143.03540	2.6
149.04652	1.2
152.01225	1.0
157.05138	1.4
159.02986	0.9
159.06606	4.9
161.04567	7.8
161.05688	0.9
168.00699	0.8
169.01414	3.4
177.07701	6.5
179.05653	2.7
187.06157	0.9
189.07748	2.7
198.01476	0.7
201.07690	15.1
205.07246	2.8
223.37515	0.7
249.06233	2.1
270.99225	0.9
279.10846	87.5
280.11349	3.5
292.59540	0.8
297.11896	31.9
298.12436	1.0
298.98453	2.2
299.99091	7.3
300.99872	7.2
339.12952	23.3
340.13281	1.1
371.09747	5.1
409.17300	1.3
425.01654	2.7
437.16748	2.6
469.09225	3.1
469.18939	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
59.01379	25.4
59.03453	0.5
61.77116	0.4
61.98835	8.1
67.01873	0.5
69.03447	1.4
69.50612	1.1
69.51032	3.3
70.19512	0.4
71.01386	10.9
72.99339	0.7
73.02959	4.3
73.31178	0.4
75.00870	2.5
76.75504	0.5
78.95899	0.5
81.03478	0.7
82.95420	2.6
83.01378	1.6
83.02509	0.5
85.02962	5.2
85.06602	5.6
87.00881	1.8
87.04517	2.6
89.02456	6.5
93.03470	0.8
95.01411	1.3
97.02963	0.6
98.19857	0.8
99.00902	0.8
99.04526	1.0
101.02459	7.5
101.06134	0.9
103.04030	0.5
107.01411	0.7
108.02200	2.1
109.02980	2.4
111.00892	0.7
111.04563	1.0
113.02464	4.9
113.06093	1.7
115.04034	1.2
115.07678	0.6
116.92838	0.5
117.05622	2.4
119.03521	2.5
121.02958	0.4
123.00923	0.8
123.04549	0.6
123.64595	0.4
125.02457	5.2
127.04044	0.9
129.05603	1.5
135.04588	0.7
135.06651	4.2
136.01701	0.7
137.02455	10.7
139.04021	1.8
141.05589	0.5
143.03516	1.2
143.05334	0.7
143.15469	0.4
149.02428	0.4
149.04694	0.5
149.99687	0.5
151.00446	0.5
151.04033	0.6
152.01169	2.1
153.01930	1.3
153.05569	0.6
158.72336	0.5
159.06650	1.2
161.04597	2.5
163.04018	0.9
164.01157	1.3
165.01949	87.0
166.02263	3.3
168.00681	1.7
169.01469	4.4
170.01735	0.9
171.01915	0.9
177.07755	0.7
179.03542	10.4
179.05565	1.0
180.04303	59.2
181.04649	2.7
189.07719	0.5
194.05894	1.9
195.03059	2.7
195.06645	100.0
196.06987	4.3
200.01057	0.6
204.04193	0.8
210.05359	9.6
211.05659	0.6
216.00684	1.0
225.07698	60.1
226.08025	3.6
228.00615	0.9
229.01424	0.6
243.08676	2.3
244.00209	0.9
270.98904	1.7
271.04672	0.8
271.99576	1.2
279.10825	16.8
280.11267	0.9
282.98798	0.7
297.08453	0.4
297.11880	11.3
298.12256	0.6
298.98288	4.7
299.99118	16.1
300.99890	11.2
302.00363	0.9
315.06433	0.5
339.09235	1.9
339.12991	3.5
361.12943	0.8
401.77945	0.5
409.24573	1.3
410.42407	0.5
421.14899	0.7
425.01443	4.0
425.09842	1.1
469.08453	7.6
469.16745	2.7
469.22943	3.4
470.13309	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39351	0.3
55.62629	0.4
58.05772	0.4
59.01379	3.3
61.51797	0.4
61.98834	18.5
67.01899	0.6
71.01385	1.5
71.05047	0.4
71.49886	0.8
73.02953	0.7
75.00869	0.4
82.66532	0.4
83.01392	0.8
83.81152	0.4
85.02977	0.5
87.00883	0.8
88.98817	1.1
89.02458	1.1
90.00158	0.4
93.03499	0.6
101.02454	1.1
101.06071	0.7
107.01427	0.4
108.02197	1.4
109.03015	1.9
113.02489	0.5
115.07700	0.5
117.02003	0.4
118.08494	0.4
121.02997	0.4
123.00911	1.2
123.04502	0.7
125.02469	4.1
126.02825	0.8
135.04523	1.1
136.01682	1.2
137.02466	11.0
138.01979	1.7
139.00389	1.1
139.02367	0.6
140.01189	2.4
141.04439	0.4
149.02539	0.4
151.00394	0.9
151.04030	1.3
152.01164	1.2
153.01945	1.3
153.05591	0.5
155.03528	1.4
163.03925	0.5
164.01164	0.8
165.01952	72.1
166.02353	3.1
168.00624	0.5
169.01437	4.7
170.01762	0.5
171.01888	0.9
179.03513	13.2
180.04300	47.9
181.04836	3.0
194.05861	3.1
195.06641	100.0
196.06976	3.8
210.05373	7.2
211.05826	0.6
216.56400	0.4
225.07689	33.8
226.07997	1.4
237.06161	0.5
243.08681	3.4
289.07156	1.3
299.99042	1.1
300.99966	1.2
313.05661	0.9
314.06024	0.4
315.05658	0.5
317.07986	0.7
331.08197	2.5
346.10602	1.1
361.12936	4.3
421.15048	15.7
422.15430	1.6
425.01709	0.5
425.09958	1.2
469.09271	8.6
469.16760	5.3
470.09598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
58.00584	0.5
59.01382	10.5
61.31444	0.4
61.98831	14.9
63.99241	0.6
67.01899	0.6
69.03454	1.0
69.53302	4.0
69.53621	0.5
71.01392	6.3
71.05035	0.8
72.99327	0.6
73.02948	1.8
75.00880	0.8
78.95914	0.7
81.03445	1.1
83.01392	1.6
83.02184	0.5
83.93663	0.4
85.02950	2.3
87.00900	1.2
88.98827	1.5
89.02451	4.3
93.03469	0.7
95.01398	1.8
95.05008	0.5
96.96008	1.0
97.02975	1.7
97.06636	0.6
98.46920	0.5
99.00893	1.0
99.04511	0.7
101.02453	4.6
101.06088	15.3
105.50661	0.5
107.01411	1.8
107.05062	0.6
108.01532	0.7
108.02197	6.9
109.03025	7.0
110.02621	0.8
110.03325	1.5
111.00893	1.2
113.02438	3.4
115.07653	4.0
116.21626	0.4
118.75096	0.5
119.03531	1.9
121.02925	0.9
123.00900	4.5
123.04518	2.2
125.02460	12.1
126.02808	2.5
127.00378	0.6
127.02921	1.1
127.04002	0.6
127.07585	0.4
131.03587	0.5
135.04533	3.3
136.01651	1.0
137.02472	11.4
138.01997	1.3
138.05597	0.5
139.00375	1.8
139.03976	0.9
140.01208	3.5
141.01924	0.8
143.03499	0.8
143.07173	0.9
145.05063	0.7
149.02505	0.7
151.00409	2.9
151.04022	2.9
152.01170	8.5
153.01917	4.8
153.05569	1.1
154.01515	0.8
154.02376	0.8
155.02391	1.4
155.03564	1.2
161.04573	2.1
161.05902	0.7
163.04048	1.4
163.06111	4.5
164.01147	1.3
165.01942	77.3
166.02312	3.5
167.03542	0.9
168.00674	1.7
169.01431	12.6
170.01807	3.8
171.01941	2.8
179.03508	13.9
179.05235	0.7
179.05769	0.6
180.04295	49.7
181.04865	2.4
181.91652	0.5
183.06660	0.6
189.01945	0.4
191.03424	0.8
193.98564	0.6
194.05853	2.8
195.06636	100.0
195.99002	0.6
196.06973	4.8
200.01176	0.6
203.07144	0.9
203.09128	0.6
205.05052	1.3
210.05351	6.5
211.02444	1.3
211.05757	0.5
225.07677	32.4
226.07994	1.8
228.00661	0.9
243.08742	7.6
244.00044	1.0
244.08992	0.7
245.08122	1.1
263.01981	1.1
270.98840	1.0
271.04694	0.8
271.99588	0.7
277.13025	0.5
282.98843	0.6
289.07159	5.8
293.12482	2.3
298.98392	2.4
299.99100	11.5
300.99823	8.4
302.00204	0.7
305.06793	0.6
307.10382	3.3
311.13443	1.2
313.05804	1.5
314.06006	1.0
315.05826	2.3
316.07544	1.1
317.07764	4.0
331.08243	2.7
346.10538	1.8
361.12939	4.1
362.13297	0.9
409.17130	6.3
421.15048	12.8
422.15448	1.3
425.01535	4.2
425.09900	5.0
426.01663	0.6
451.07886	0.7
451.16852	0.7
469.08868	39.2
469.18387	3.4
470.13739	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	469.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	36.1
61.98827	7.6
66.38029	0.6
69.03459	1.5
70.01031	0.5
71.01388	5.4
71.75432	0.7
71.75795	0.9
73.02938	2.0
76.19095	0.6
81.03445	1.8
82.11176	0.5
83.01375	1.7
85.02962	5.2
89.02435	1.0
93.03461	1.3
95.01388	4.2
96.90865	0.6
97.02920	1.1
101.02465	3.0
107.01410	0.7
107.04993	1.4
108.02190	65.9
109.02979	41.9
109.06607	4.2
110.03255	1.1
111.00890	1.0
113.02472	2.9
119.03535	0.7
121.02934	1.9
123.00902	5.8
123.04531	2.4
124.01643	1.9
125.02457	8.3
127.06926	0.8
127.07681	9.3
128.08109	0.6
135.00783	0.7
135.04491	2.1
137.02463	0.9
139.04030	2.4
140.01202	0.8
141.01886	0.8
145.02902	0.8
149.99527	1.3
151.00308	1.8
151.04036	1.4
152.01173	62.8
153.01968	23.5
153.05588	2.1
161.02415	1.0
161.04582	1.5
163.03967	1.8
165.01823	0.7
167.77472	0.6
168.00647	4.0
169.01472	6.6
171.06647	1.6
177.05612	1.0
181.05072	0.7
195.06657	0.7
219.08853	0.8
237.09848	3.9
247.13417	0.8
271.02325	1.3
279.10767	5.2
299.99271	1.3
300.02673	3.1
300.99756	1.8
301.03156	1.1
315.07169	4.6
359.06326	0.7
425.01385	1.5
425.14545	3.7
433.07574	2.7
434.07666	0.7
451.12436	12.5
469.13370	100.0
470.13797	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	469.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01129	1.0
59.01381	10.6
61.98835	55.1
62.36341	0.8
68.99809	1.6
69.03439	1.6
69.56282	3.8
69.56709	3.2
71.01386	11.8
72.99308	1.5
73.02940	2.6
79.01852	0.8
83.01385	2.4
85.02941	2.6
87.00883	1.9
89.02457	4.6
91.84886	0.7
93.03417	1.0
95.01381	2.4
96.96011	0.9
96.96985	1.1
97.02953	2.4
99.00883	2.1
101.02457	6.3
107.01405	9.7
108.02189	3.8
109.02961	2.4
110.55762	0.7
111.00909	8.0
113.02473	4.3
116.92915	0.9
117.05607	1.1
119.03537	1.1
123.00909	12.0
123.04573	0.7
125.02468	68.3
125.71159	0.8
126.02814	3.0
127.00386	0.9
129.05565	1.2
131.03529	1.5
133.03047	0.8
135.04552	1.4
137.02478	7.1
139.00409	4.6
139.03960	0.9
140.01187	5.4
141.01953	2.1
143.03532	0.8
149.04550	1.1
151.00415	8.3
151.04091	1.7
152.01189	4.3
153.01865	3.2
154.01611	0.8
155.03506	1.5
161.02487	1.2
161.04594	1.7
163.03998	1.1
165.00671	1.4
165.01953	18.6
165.04085	1.4
166.99948	0.9
167.03557	0.9
168.00693	3.3
169.01447	100.0
170.01831	4.0
171.01859	1.3
172.01660	0.9
177.01932	1.2
179.03499	5.9
179.05688	1.1
180.04315	10.8
180.05757	1.3
189.02028	0.9
193.01402	1.0
194.05920	0.8
195.06644	24.5
205.01564	0.9
210.05421	2.0
211.02483	2.2
216.00729	1.5
217.01436	1.1
225.07700	7.3
229.01543	1.4
241.03494	4.2
243.08679	1.3
244.00119	0.9
245.00987	1.3
261.00424	1.4
270.98965	1.0
271.99490	1.1
273.00293	1.6
277.12915	2.7
279.03012	1.7
288.99942	1.4
289.07196	1.3
298.98456	1.2
299.99142	22.2
300.02536	1.6
300.99908	6.1
305.06470	1.1
307.02451	2.0
313.05652	26.3
313.11395	2.5
314.06097	1.5
315.06500	1.0
317.07950	1.1
322.01389	1.1
323.01846	1.6
324.99884	1.2
325.03500	1.0
335.02075	2.7
341.03024	1.0
351.01675	2.6
361.13086	1.4
363.01691	0.8
369.02463	1.1
379.00949	9.5
380.01459	1.0
397.02124	1.6
403.75290	0.8
407.00345	12.9
408.00980	1.0
409.17090	2.0
421.15009	4.3
425.01584	70.6
425.07413	99.5
426.01865	5.1
426.07767	8.4
433.13547	5.3
451.08939	0.8
468.08380	0.9
469.00613	3.1
469.09103	29.3
469.33536	1.1
470.09250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0048
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.6
69.72330	2.3
71.01390	0.5
98.20625	0.4
106.77985	0.4
108.02209	0.6
123.00936	0.5
125.02464	1.5
125.38513	0.3
137.02412	0.4
141.38396	0.3
145.02948	0.5
152.01079	0.4
153.01898	0.5
165.01913	1.3
169.01469	2.0
172.01663	0.7
173.02504	0.5
180.04274	1.0
188.01154	0.5
189.01967	0.5
193.01419	0.3
195.04744	0.5
195.06628	1.7
197.06207	0.4
197.29002	0.3
200.01187	0.9
201.02083	0.3
211.03998	0.5
216.00661	1.1
217.01398	0.6
223.03905	0.7
225.05634	0.8
227.03676	0.3
228.00685	1.2
229.01552	0.5
235.04013	0.6
239.03377	0.7
242.99408	0.7
244.00137	1.3
245.00815	1.5
251.03528	1.8
253.05132	0.4
263.03543	0.7
266.02136	0.4
267.02899	0.8
269.04681	0.3
270.98776	1.9
271.99597	1.8
273.00339	1.5
279.03055	2.0
280.03653	0.3
281.04391	0.5
282.98901	1.0
283.02225	0.4
287.02670	0.4
291.02795	0.4
295.02487	1.4
297.03806	0.5
298.98383	2.4
299.99106	25.1
300.99768	4.7
306.01563	0.5
307.02487	1.2
308.02655	0.4
309.03931	0.7
311.02176	0.4
314.00656	0.5
322.01047	0.7
323.01886	2.2
324.99884	1.1
325.03497	1.3
326.00247	0.5
327.01273	0.4
333.00488	0.6
334.01337	0.9
335.01917	3.8
336.02332	0.4
336.99890	0.4
338.00580	0.5
339.01215	0.7
339.98569	0.5
340.02069	0.4
340.99652	0.5
341.03076	1.5
351.01474	4.0
352.02124	0.5
353.03018	1.1
360.99884	0.6
363.01334	1.0
366.00458	0.4
369.02420	1.2
379.00961	13.5
380.01147	1.6
381.02563	1.3
388.99402	0.6
390.00143	0.6
397.02097	2.4
405.99603	1.0
407.00449	18.9
408.00873	1.9
425.01511	100.0
426.01828	10.6
426.07611	0.6
426.77002	0.4
450.99545	0.8
468.53485	0.5
469.00494	5.8
469.08902	2.6
470.00784	0.8
494.74426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.3
61.98833	100.0
63.99250	0.2
69.03468	0.2
69.76716	0.3
69.77122	1.1
71.01387	1.8
72.01713	0.2
73.02965	0.5
75.00873	0.2
75.67950	0.1
77.46801	0.2
81.03477	0.2
83.01392	0.3
85.02962	0.6
87.00881	0.2
87.30224	0.1
88.98842	0.2
89.02450	0.8
95.01405	0.6
97.02983	0.3
99.00928	0.2
99.04488	0.2
101.02465	0.8
101.67058	0.2
102.80547	0.1
107.01374	1.3
108.01559	0.2
108.02212	3.9
109.02994	10.5
109.91684	0.1
110.03307	5.0
111.00893	0.6
113.02453	0.5
114.02789	0.2
115.07692	0.3
119.03468	0.2
123.00909	2.0
123.04552	1.3
124.01266	0.6
124.04884	0.5
125.02466	6.9
126.02808	2.2
127.00346	0.2
127.07629	0.4
134.16183	0.2
135.00821	0.2
135.04523	0.2
136.98828	0.3
137.02473	1.1
138.01981	3.0
138.03012	0.2
139.00412	1.5
140.01186	2.2
141.01886	0.3
149.09741	0.2
151.00417	1.3
151.04024	0.3
152.01193	4.6
153.01970	11.7
153.05534	0.9
154.02304	5.3
154.05901	0.5
155.02408	0.2
155.03516	0.8
161.04684	0.1
165.01952	5.6
167.03453	0.4
168.00607	0.6
169.01453	8.1
170.01781	3.1
171.01772	0.2
172.01628	0.2
175.03981	0.2
179.03506	1.0
180.04317	3.7
187.04053	0.2
193.98509	0.5
194.05836	0.2
194.99066	0.5
195.06639	7.9
210.05336	0.6
211.02425	0.2
212.02817	0.2
225.07719	2.7
243.08725	0.5
275.01599	0.2
297.11813	0.2
298.98349	0.2
299.99084	1.4
300.99835	1.5
313.05676	1.7
314.06027	1.6
315.03693	0.3
315.07227	5.4
316.07568	9.3
317.07687	0.8
351.43750	0.2
361.12689	0.3
403.12476	0.3
405.13129	0.9
408.22034	0.4
409.17282	0.2
420.18646	0.2
421.14972	1.1
423.08914	0.2
424.09637	3.5
425.01440	0.7
425.10104	0.2
450.07425	0.5
468.08469	26.6
468.18436	0.9
469.09335	5.3
469.16086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51972	0.2
56.86072	0.2
59.01374	1.0
61.01800	0.2
61.98833	100.0
62.88691	0.2
63.48751	0.1
65.22195	0.2
69.72885	1.3
71.01385	1.8
71.05029	0.3
74.38258	0.2
74.92963	0.2
79.01897	0.1
85.02969	0.4
88.04059	0.2
89.02456	0.3
94.50732	0.2
101.02440	0.5
107.01398	0.6
108.02203	2.1
109.02400	0.4
109.02985	0.7
110.03302	0.6
111.00908	0.2
113.02449	0.3
116.98161	0.1
123.00918	1.2
123.04533	0.2
124.01249	0.3
124.04868	0.2
125.02470	2.7
126.02804	0.9
131.52815	0.2
136.98840	0.2
137.02429	0.2
139.00365	0.4
140.01186	0.4
146.08220	0.9
151.00407	0.8
151.04037	0.2
152.01192	2.8
153.01567	1.6
153.05603	0.3
154.02283	0.2
165.01974	1.1
167.03531	0.2
168.00679	0.3
169.01439	3.7
170.01775	2.1
180.04259	0.7
193.98569	0.4
194.98878	0.2
195.06686	1.5
211.02393	0.2
225.07722	0.4
267.10849	0.3
271.04605	0.2
279.53687	0.2
297.06152	0.2
299.99057	0.5
300.99866	0.4
306.06854	0.2
311.25272	0.2
313.05481	0.6
314.06033	0.9
315.07178	0.6
316.07483	1.2
408.21967	0.8
424.09695	2.5
425.01361	0.5
425.09839	0.3
433.13278	1.0
433.88010	0.2
468.08447	13.4
469.08936	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	468.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.32729	0.2
61.98830	100.0
69.03475	0.2
70.54427	0.6
71.01365	0.3
81.89688	0.1
107.01431	0.2
107.35492	0.2
108.02212	0.8
109.02406	0.2
109.03036	0.4
110.03268	0.3
113.34682	0.1
123.00915	0.5
124.01231	0.4
125.02455	1.6
126.02799	0.7
137.02452	0.2
151.00339	0.4
152.01204	1.2
153.01624	0.6
154.02376	0.2
165.01932	0.3
169.01413	1.9
170.01785	0.8
175.85240	0.2
179.03645	0.2
180.04105	0.2
181.47440	0.2
193.98615	0.2
195.06627	0.4
196.06935	0.2
197.07301	0.2
228.32130	0.2
305.06354	0.2
313.05573	0.2
314.05899	0.3
316.07590	0.4
374.43137	0.2
405.10318	1.3
424.09494	1.1
425.01303	0.5
468.08615	6.4
469.08948	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01991	0.9
56.58053	0.7
57.03239	5.3
57.03563	16.4
59.01162	7.5
59.01497	24.0
61.98589	4.9
61.98952	18.1
69.03563	1.1
70.04575	3.9
71.01092	1.9
71.01523	8.6
72.99455	2.6
73.03085	3.5
74.33858	0.6
75.00619	0.8
75.00961	1.4
78.96040	1.1
80.91839	4.5
83.01505	1.5
84.55186	0.8
85.02657	0.9
85.03106	2.8
85.06741	0.9
87.00996	0.9
89.02039	1.8
89.02613	5.4
93.03571	1.5
95.01514	1.3
97.03075	1.2
99.03974	1.9
99.04688	14.3
101.02617	13.0
106.50448	0.7
107.01511	2.0
108.02355	6.3
109.03133	6.3
110.21877	0.8
111.08294	1.2
113.01932	0.9
113.02625	3.4
113.05553	0.8
113.06266	2.4
115.04185	1.6
119.03680	2.1
121.03060	0.9
122.03874	1.7
123.00936	4.1
124.01792	1.1
125.02632	24.5
126.02923	1.0
131.03668	1.0
135.01022	0.7
137.02574	1.8
137.09821	1.1
139.00543	1.5
139.04158	1.0
140.01314	1.3
145.03114	1.2
145.07925	4.0
151.00558	3.0
151.04114	1.0
152.01181	10.1
153.01991	6.1
154.02376	0.8
155.10825	6.4
157.08815	1.1
159.09373	1.0
160.06435	12.8
161.04559	8.3
161.07225	39.2
162.07655	1.8
163.04202	0.9
167.03633	1.7
167.07158	20.4
168.00746	1.0
169.01442	22.7
170.01979	0.8
171.10461	3.0
173.03406	0.9
173.04713	3.5
173.10974	2.0
175.08783	20.6
177.02121	2.2
185.11009	2.1
187.08774	5.7
189.02112	3.2
189.06712	70.4
190.02626	0.8
190.07158	2.2
191.05786	1.5
193.98705	1.8
201.10332	8.3
203.08278	29.0
203.11865	5.8
204.08623	1.1
211.02629	1.3
217.01552	3.4
217.10895	2.7
229.09798	18.3
230.10074	1.2
251.11336	1.5
257.59033	0.8
267.11078	0.8
271.99622	1.9
277.09250	1.8
277.12036	2.1
293.09915	1.8
295.10318	1.4
296.07916	0.8
300.99811	6.5
305.11435	40.4
306.11774	3.4
311.10406	4.3
313.05707	2.5
315.07138	3.9
323.12485	100.0
324.12903	6.7
329.11447	3.1
337.11438	1.0
357.06107	4.4
365.13632	6.3
367.75467	0.8
373.10382	1.2
392.03607	1.3
405.04327	1.0
405.12625	1.4
407.22830	1.1
423.08969	4.4
431.15811	1.3
449.03091	2.2
467.08066	30.0
467.16458	2.0
467.21597	21.6
467.28265	2.7
468.09064	2.7
468.21414	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	467.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.2
61.98829	50.7
67.01897	1.7
69.03445	1.5
69.75497	5.1
71.01372	5.7
73.02946	2.3
75.88239	0.8
78.95895	0.9
79.01895	1.4
81.03461	1.0
83.01390	1.4
85.02956	2.6
87.00864	1.0
90.37115	0.8
93.12936	0.9
95.01409	3.4
97.02949	1.9
98.19872	1.6
101.02449	2.5
107.01398	13.1
108.02185	22.0
109.02982	10.8
111.00900	1.8
113.02472	2.8
121.02953	1.1
122.03767	1.0
123.00891	17.4
123.04535	55.8
124.01677	1.3
124.04861	1.7
125.02459	65.7
126.02774	2.4
135.04494	1.0
137.02501	1.1
139.00365	6.0
140.01160	3.8
141.01903	1.8
151.00381	13.5
152.01166	30.0
153.01985	8.7
153.05592	60.0
154.05920	2.4
163.04015	1.4
165.01981	1.2
167.03450	1.3
168.00610	6.8
169.01436	100.0
170.01752	2.9
179.03510	1.1
193.98578	3.3
194.99190	1.2
195.02963	1.0
202.83627	0.9
211.02446	2.5
223.05797	0.9
241.03500	1.4
249.11342	1.1
253.03537	1.2
273.00473	1.0
297.06171	1.4
301.12375	0.9
313.05621	40.0
314.05975	3.4
315.07227	14.1
315.10617	0.9
423.09277	19.3
424.09717	1.9
449.07199	1.8
467.07666	54.0
467.12140	76.1
468.07797	5.3
468.12378	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	467.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
56.61776	0.7
57.03448	44.2
58.00591	1.0
59.01379	23.9
61.98829	1.6
64.75728	0.8
69.40585	1.4
69.40995	7.3
71.01388	10.1
72.99290	1.1
73.02955	4.3
83.01386	2.2
85.06599	2.5
89.02442	3.8
98.19843	1.8
99.04532	20.1
101.02454	12.7
103.81521	0.7
113.02428	1.3
117.93625	0.9
125.02473	9.9
143.03580	0.9
145.07727	4.3
160.06445	14.7
161.04590	11.4
161.07233	41.6
162.07568	1.6
169.01395	1.4
173.07201	1.0
173.10858	1.4
175.08792	30.7
176.09125	1.2
185.10905	1.8
187.08817	5.5
189.06712	79.7
190.07001	3.2
201.10397	6.7
203.08272	33.1
203.11844	7.9
204.08611	1.2
217.01450	2.7
217.09796	1.8
227.08347	1.1
229.09795	20.9
230.10117	1.3
231.02782	1.0
243.12375	0.9
277.11987	2.5
289.66559	0.9
305.11438	61.0
306.11664	3.4
323.12485	100.0
324.12769	7.0
357.06024	1.2
365.13565	14.2
366.13849	1.7
399.96255	0.8
405.16782	1.9
467.09305	2.3
467.17065	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	467.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	0.6
61.98823	0.8
69.03474	0.6
69.52433	1.1
69.52856	2.1
71.01378	1.4
81.03456	0.5
85.02947	1.0
95.01392	1.2
97.02971	0.4
101.02457	0.8
107.01411	2.2
108.01444	0.6
108.02186	12.1
108.65477	0.4
109.02979	6.1
111.00880	0.3
119.85252	0.4
123.00905	5.1
123.04535	0.5
124.01687	0.4
125.02458	10.9
139.00389	0.9
140.01204	0.8
141.01924	0.6
151.00380	2.8
152.01175	15.6
153.01961	4.4
156.12297	0.4
159.56749	0.3
163.04030	0.4
168.00612	1.3
168.39059	0.3
169.01447	16.7
170.01830	0.6
193.98560	2.5
194.99208	0.6
211.02441	0.4
234.74423	0.3
281.14532	0.4
313.05566	4.0
315.07248	8.6
316.07468	0.6
423.09332	15.3
424.09482	1.0
449.07135	1.3
467.08273	100.0
468.08643	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	467.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.2
61.98829	50.7
67.01897	1.7
69.03445	1.5
69.75497	5.1
71.01372	5.7
73.02946	2.3
75.88239	0.8
78.95895	0.9
79.01895	1.4
81.03461	1.0
83.01390	1.4
85.02956	2.6
87.00864	1.0
90.37115	0.8
93.12936	0.9
95.01409	3.4
97.02949	1.9
98.19872	1.6
101.02449	2.5
107.01398	13.1
108.02185	22.0
109.02982	10.8
111.00900	1.8
113.02472	2.8
121.02953	1.1
122.03767	1.0
123.00891	17.4
123.04535	55.8
124.01677	1.3
124.04861	1.7
125.02459	65.7
126.02774	2.4
135.04494	1.0
137.02501	1.1
139.00365	6.0
140.01160	3.8
141.01903	1.8
151.00381	13.5
152.01166	30.0
153.01985	8.7
153.05592	60.0
154.05920	2.4
163.04015	1.4
165.01981	1.2
167.03450	1.3
168.00610	6.8
169.01436	100.0
170.01752	2.9
179.03510	1.1
193.98578	3.3
194.99190	1.2
195.02963	1.0
202.83627	0.9
211.02446	2.5
223.05797	0.9
241.03500	1.4
249.11342	1.1
253.03537	1.2
273.00473	1.0
297.06171	1.4
301.12375	0.9
313.05621	40.0
314.05975	3.4
315.07227	14.1
315.10617	0.9
423.09277	19.3
424.09717	1.9
449.07199	1.8
467.07666	54.0
467.12140	76.1
468.07797	5.3
468.12378	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	467.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.1
61.98833	22.3
62.07360	0.6
64.37019	0.6
67.01891	0.6
69.03450	1.1
69.79556	4.6
71.01388	4.2
73.02937	1.4
83.01357	0.9
85.02956	1.7
89.02426	2.6
93.03457	0.9
95.01355	1.7
97.02953	1.1
101.02432	2.2
107.01421	4.1
108.01539	1.1
108.02194	14.2
109.02971	40.0
109.06580	1.1
110.03294	0.8
113.02431	1.8
119.03514	0.9
123.00916	7.1
123.04554	3.5
124.01688	1.1
125.02468	22.6
127.07660	2.3
133.02956	0.7
135.00824	1.0
136.98900	0.8
137.02548	0.7
139.00362	1.9
140.01169	1.2
141.01942	1.1
141.09233	0.8
151.00423	6.1
151.06174	1.3
152.01181	22.6
153.01967	40.3
153.05544	3.9
154.02280	0.9
158.28677	0.6
161.04509	1.0
163.00291	0.6
163.04002	0.9
165.01915	1.1
167.03445	1.0
168.00677	3.0
169.01447	33.9
170.01692	1.3
193.98581	3.7
194.99316	1.4
211.02530	1.3
241.03482	0.9
275.01889	1.9
297.06320	0.8
300.99905	1.6
313.05655	8.2
315.07220	40.9
316.07471	2.6
404.12665	3.0
407.21854	1.8
423.09335	14.7
449.07141	2.1
467.08148	100.0
467.17023	4.7
468.08398	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	467.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.6
59.01379	8.9
60.01709	1.0
61.01772	0.4
61.98832	13.3
67.01884	0.6
69.03444	1.0
69.67587	3.5
69.67979	0.8
71.01392	4.4
71.17471	0.5
73.02927	0.8
75.73773	0.4
79.01894	0.7
81.03438	0.6
82.00666	0.4
83.01383	0.5
85.02944	1.8
87.00858	0.7
89.02421	1.4
95.01410	2.7
97.02935	1.3
101.02443	2.3
107.01405	5.7
108.02193	22.0
109.02969	13.5
111.00859	1.6
113.02441	2.0
119.03513	0.6
121.02930	0.8
123.00100	0.7
123.00912	9.0
123.01773	0.4
123.04536	3.8
124.01689	1.0
125.02460	26.0
127.07648	0.5
135.00876	1.1
136.98796	0.8
137.02438	1.2
137.25119	0.4
139.00395	3.2
139.02834	0.5
139.04016	0.6
140.01170	2.7
141.01930	1.3
146.59442	0.4
151.00385	7.4
151.03984	1.6
152.01175	29.3
153.01971	11.4
153.05574	3.5
159.02884	0.5
161.04564	0.6
163.03996	0.7
165.01947	0.7
165.05414	0.6
168.00694	3.5
169.01440	37.7
170.01744	1.2
177.01942	0.8
179.05676	0.6
180.81424	0.5
181.04926	0.4
193.98586	4.8
194.99226	1.6
211.02357	1.2
216.87839	0.5
217.01294	0.4
223.02432	0.5
241.03566	0.5
253.03218	0.6
257.99518	0.5
297.06024	1.3
313.05646	9.8
314.06165	0.5
315.03702	0.8
315.07202	14.6
316.07703	1.0
347.60806	0.5
377.13019	0.7
404.12738	2.5
406.21497	0.5
407.22089	0.5
423.03497	1.0
423.09283	17.9
424.09506	2.1
431.15430	0.5
449.07043	1.8
467.08139	100.0
468.08447	10.4
492.84171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75183	0.4
59.01353	0.7
67.01878	0.5
71.01382	2.2
71.14452	1.0
79.01893	0.8
83.01431	0.5
85.02950	1.7
95.01363	2.0
97.02969	1.1
101.02458	1.2
107.01411	3.7
108.02188	18.6
109.02976	10.7
111.00920	1.1
113.02461	1.3
121.02948	0.6
123.00909	7.6
123.04511	0.5
124.01664	0.6
125.02461	17.9
135.00926	0.7
139.00417	2.3
140.01195	2.5
141.01939	1.0
151.00391	6.7
151.04019	1.0
152.01170	28.2
152.99574	0.4
153.01959	9.0
163.04019	1.1
165.01926	1.3
166.99825	0.4
168.00650	3.1
169.01440	29.1
170.01801	1.2
177.01924	0.7
179.03525	0.6
193.94556	0.5
193.98564	4.5
194.99356	0.7
211.02431	1.0
241.03413	0.8
253.03680	0.6
257.37289	0.4
275.01907	0.6
297.06213	0.9
300.99783	0.8
313.05579	6.7
315.07220	12.2
316.07553	0.8
379.94653	0.4
423.03586	0.7
423.09351	15.5
424.09747	2.1
449.07404	1.6
467.08298	100.0
468.08621	11.0
485.77359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87714	0.3
57.46899	0.3
59.01369	1.4
61.98833	100.0
67.01888	0.3
69.03475	0.6
69.79682	1.9
70.35579	0.3
71.01376	1.6
73.02962	0.4
78.45516	0.3
83.01414	0.3
85.02961	0.8
89.02423	0.3
92.28352	0.3
95.01397	0.7
98.19951	0.6
101.02477	0.8
107.01409	2.1
108.02198	3.9
109.02976	2.7
111.00955	0.4
113.02491	0.6
119.12614	0.3
123.00920	3.5
123.04542	9.9
124.01729	0.5
125.02463	13.2
136.98901	0.4
139.00426	1.0
140.01183	1.0
141.01909	0.4
151.00385	2.5
152.01183	5.5
153.01991	1.9
153.05595	11.5
168.00708	1.0
169.01443	17.9
193.35025	0.3
193.98682	0.7
197.02223	0.3
211.02563	0.7
214.95000	0.3
260.32593	0.3
270.43243	0.3
271.04752	0.3
297.06073	0.3
300.99832	0.5
301.99973	0.3
304.00720	0.4
305.39520	0.3
313.05634	8.0
315.07196	2.5
315.10281	0.3
403.12357	1.4
406.20935	0.5
423.09381	3.7
466.06073	0.5
467.08035	11.0
467.12384	15.9
489.83197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87714	0.3
57.46899	0.3
59.01369	1.4
61.98833	100.0
67.01888	0.3
69.03475	0.6
69.79682	1.9
70.35579	0.3
71.01376	1.6
73.02962	0.4
78.45516	0.3
83.01414	0.3
85.02961	0.8
89.02423	0.3
92.28352	0.3
95.01397	0.7
98.19951	0.6
101.02477	0.8
107.01409	2.1
108.02198	3.9
109.02976	2.7
111.00955	0.4
113.02491	0.6
119.12614	0.3
123.00920	3.5
123.04542	9.9
124.01729	0.5
125.02463	13.2
136.98901	0.4
139.00426	1.0
140.01183	1.0
141.01909	0.4
151.00385	2.5
152.01183	5.5
153.01991	1.9
153.05595	11.5
168.00708	1.0
169.01443	17.9
193.35025	0.3
193.98682	0.7
197.02223	0.3
211.02563	0.7
214.95000	0.3
260.32593	0.3
270.43243	0.3
271.04752	0.3
297.06073	0.3
300.99832	0.5
301.99973	0.3
304.00720	0.4
305.39520	0.3
313.05634	8.0
315.07196	2.5
315.10281	0.3
403.12357	1.4
406.20935	0.5
423.09381	3.7
466.06073	0.5
467.08035	11.0
467.12384	15.9
489.83197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28532	0.4
57.03434	0.9
59.01383	13.7
60.01722	1.3
61.98834	100.0
67.01899	0.5
69.03463	0.6
71.01392	6.2
72.01720	0.6
72.99322	1.1
73.02975	1.5
78.91914	0.6
80.91699	0.7
81.03474	0.7
83.01417	1.1
85.02966	2.1
85.06591	0.5
87.00893	0.7
89.02452	5.7
90.02798	1.0
93.03466	2.1
94.49937	0.4
95.01414	1.3
96.96022	1.2
97.02972	0.8
97.06665	0.5
99.00887	0.6
99.04528	0.6
101.02454	4.1
102.02761	0.5
108.02202	10.8
109.03062	6.8
110.03329	1.5
111.00900	4.6
113.02479	3.7
119.03507	1.9
123.00902	2.1
123.04548	1.8
125.02474	5.2
125.09740	0.8
131.03491	1.0
133.02994	0.7
134.03737	0.6
135.04564	0.7
137.02435	1.2
138.05591	0.6
139.00452	0.5
139.04047	1.1
139.29906	0.4
151.00395	1.6
152.01180	11.8
153.01901	6.9
154.02324	1.8
161.04584	1.3
161.07202	0.6
162.04898	0.5
165.01979	0.7
167.03540	2.2
168.00696	1.1
168.03857	0.7
169.01456	4.3
171.10326	0.5
173.00800	0.4
173.04573	1.8
177.01944	1.4
179.05649	1.2
180.05896	0.5
189.01929	3.0
191.05583	0.9
193.01370	0.5
208.28828	0.5
211.02559	0.5
217.01431	3.6
229.84462	0.6
231.10344	0.8
241.14560	0.7
272.05109	0.7
274.01334	0.5
275.02023	0.9
297.06131	0.6
298.06470	0.5
301.00082	0.6
312.08075	0.8
313.05566	0.8
315.07083	0.8
323.12488	1.2
331.06812	0.5
334.18466	0.5
337.11365	1.0
357.06140	3.7
401.42999	0.4
406.21692	0.7
422.11981	1.0
423.09235	1.7
434.07770	0.5
466.10657	20.6
467.08395	10.6
467.21307	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	466.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
61.35997	0.2
61.98833	100.0
69.66349	1.4
71.01395	0.3
72.16132	0.2
80.91702	0.3
85.62483	0.2
89.02464	0.2
98.02522	0.2
98.19910	0.4
103.68040	0.2
108.02205	0.4
109.02981	0.3
123.00966	0.2
124.01726	0.3
125.02470	0.7
149.99628	0.3
152.01172	0.3
153.01958	0.5
167.65453	0.2
168.00722	0.6
169.01480	1.1
173.04750	0.2
211.02628	0.4
271.04694	0.6
273.00754	0.2
275.01855	0.3
293.82925	0.2
301.00131	0.4
313.05753	0.2
466.03671	0.3
466.19760	0.2
467.07834	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	466.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
61.98831	100.0
69.03474	0.3
70.05928	1.0
71.01398	0.7
73.02949	0.3
83.32189	0.2
85.02983	0.5
89.02456	0.3
95.01414	0.6
97.02954	0.4
101.02471	0.6
107.01381	1.0
108.02180	4.9
108.02876	0.3
109.02975	2.4
111.00920	0.4
113.02488	0.3
119.12720	0.2
119.90131	0.1
121.02962	0.2
123.00900	2.7
123.04526	1.0
124.01716	0.3
125.02465	6.9
135.00923	0.2
136.98820	0.3
137.02527	0.2
139.00394	0.5
140.01160	0.5
141.01964	0.3
151.00372	2.0
151.04060	0.2
152.01176	6.3
153.01965	1.9
153.05557	1.2
154.99879	0.2
161.02469	0.3
163.04059	0.2
166.99931	0.3
168.00623	0.9
169.01437	8.8
179.03549	0.2
193.98628	0.8
201.13239	0.2
211.02592	0.3
219.33217	0.2
283.34448	0.2
297.06128	0.2
309.28940	0.2
313.05612	2.2
315.07214	2.6
329.67944	0.2
403.12457	3.7
403.17355	0.3
404.12946	0.4
406.21115	0.3
423.09351	3.8
423.14697	0.3
449.07178	0.4
460.48386	0.2
466.07071	0.2
467.07919	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	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
56.64965	0.4
57.03448	3.3
58.00586	0.9
59.01381	100.0
60.01728	0.7
60.39560	0.4
61.98834	34.2
62.98550	0.5
68.42052	0.4
69.57309	4.0
71.01388	16.7
72.19566	0.4
72.99327	1.1
73.02953	1.3
76.25378	0.5
83.01377	0.9
83.80965	0.5
85.02960	3.3
89.02457	21.8
95.01429	1.1
101.02464	9.5
109.02954	0.6
112.05299	0.4
113.02465	8.3
119.03516	9.3
119.04292	0.6
120.03839	0.4
123.00944	1.4
124.14822	0.4
125.02455	2.8
131.03511	1.5
134.07449	1.2
135.08165	0.6
137.09760	0.8
139.00522	0.5
139.07718	0.9
143.03510	2.3
149.04582	0.7
149.09734	11.2
151.00414	0.9
151.04077	0.6
153.01952	0.8
153.09233	4.5
161.04594	7.0
166.99942	0.6
167.10793	23.6
168.11165	1.2
169.01418	3.0
179.05649	10.7
179.07150	0.7
180.06006	0.8
203.61536	0.4
207.13953	0.8
209.11894	0.8
225.14980	4.6
243.16077	5.2
250.39580	0.5
285.04080	1.1
300.99652	0.6
301.99838	0.6
303.05307	0.8
313.05786	0.6
403.12485	9.9
405.21304	27.1
406.21661	3.4
465.06277	1.4
465.23871	0.8
466.07086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00572	0.4
59.01382	8.7
70.48627	0.6
70.48985	1.4
71.01385	6.5
71.59721	0.3
72.99294	0.4
79.01863	0.6
79.04613	0.3
83.01387	0.6
85.02954	1.6
87.00879	0.8
87.25052	0.3
89.02448	4.6
89.45238	0.4
94.47856	0.3
95.01402	1.3
97.02950	0.7
101.02462	3.4
107.01414	4.2
111.00890	1.0
113.02464	1.6
115.00385	2.1
119.03532	2.1
123.00904	11.2
124.01698	1.1
125.02465	20.9
126.02769	0.6
127.00414	0.4
133.01450	5.2
136.98816	0.9
137.02379	0.7
139.00394	2.4
140.01164	1.4
141.01921	1.2
144.40549	0.4
145.02919	0.5
149.02477	0.6
151.00389	7.6
151.06134	1.6
153.01924	0.6
161.04605	0.5
163.04013	0.4
165.01949	1.7
168.00668	3.3
169.01448	32.1
170.01758	0.6
174.98500	0.3
177.01996	1.0
179.03523	2.1
179.05579	0.6
180.04254	1.5
191.03497	0.4
194.05740	0.6
195.06609	4.6
203.03551	0.5
211.02507	10.3
212.02866	0.4
217.01366	0.4
221.22519	0.4
223.02318	0.6
225.07639	1.3
241.03568	0.6
271.04599	17.2
272.04807	0.5
273.00388	0.6
274.01212	0.5
275.01993	1.3
299.99225	0.5
300.99811	2.5
303.35535	0.4
313.05768	2.5
331.06796	1.3
342.07220	0.5
357.11902	1.3
373.07968	0.4
405.21375	0.8
457.02338	1.1
465.12482	100.0
466.02826	1.9
466.12802	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.4
58.00589	1.5
58.25863	0.9
59.01379	38.8
60.01693	0.7
61.98830	100.0
62.36377	0.7
62.98526	2.0
63.99247	1.5
67.01894	0.8
69.03425	1.0
69.69838	6.7
71.01382	25.7
71.68586	0.8
72.99316	1.6
73.02961	4.5
75.00873	2.4
78.91888	5.9
78.95908	1.0
79.01923	1.3
81.03455	1.0
83.01375	2.1
84.67152	0.8
85.02962	7.2
87.00880	2.8
89.02451	21.2
93.03470	2.3
95.01391	4.5
97.02979	2.4
99.00851	1.6
99.04507	1.4
101.02453	15.8
107.01413	10.3
107.05034	18.4
108.02170	1.9
108.05378	0.9
109.02959	9.8
109.06606	2.5
111.00912	4.2
113.02473	9.8
115.03985	1.2
117.97327	0.9
119.03500	7.6
119.05024	1.5
120.99731	1.0
121.02978	1.4
122.03740	1.9
123.00895	20.1
123.04536	4.5
124.01676	3.2
125.02462	56.6
126.02832	1.2
127.00390	1.1
127.07661	5.7
131.03510	1.9
133.02994	0.8
135.04579	1.0
136.98851	1.4
137.02478	4.9
138.03197	1.1
139.00378	6.8
139.04013	10.4
140.01176	3.9
141.01932	2.4
143.03516	3.5
144.98488	0.8
146.08224	1.1
147.04555	1.6
149.02431	1.5
149.08551	1.1
149.09723	7.5
151.00377	13.2
151.04004	3.4
152.01135	2.1
153.01941	15.1
161.02437	3.5
161.04579	3.8
163.03983	0.9
163.06128	1.6
165.05577	1.5
166.99921	1.0
167.03496	1.1
167.10791	13.7
168.00659	5.6
169.01437	66.0
170.01779	1.9
173.04576	0.9
179.03502	3.7
179.05638	5.5
182.33141	0.8
191.05434	0.9
193.01439	4.8
207.02812	0.9
211.02478	3.5
223.02557	1.0
225.14920	3.6
239.05615	1.2
241.03467	1.4
243.15990	1.3
252.72884	0.9
271.04651	1.6
275.01852	1.1
285.13382	1.2
297.06287	3.9
299.99115	8.1
300.99643	9.6
301.99719	19.1
303.00366	10.6
303.08896	1.2
303.14307	6.5
304.04498	1.7
313.05634	16.5
325.11282	1.7
375.14337	1.3
405.21289	21.5
406.21341	1.1
421.11411	48.6
422.11682	4.7
429.13846	3.6
447.08932	9.0
465.10980	80.3
465.19797	8.8
466.10522	8.0
466.19669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1041
Annotation	Taxifolin 3-galactoside
Peak:m/z	Relative Intensity
55.01880	1.4
57.03460	5.1
58.08475	0.9
59.01378	40.1
60.01743	1.0
61.98829	22.5
65.00327	3.0
66.60735	0.8
67.01889	2.1
68.07436	0.9
69.03461	2.7
70.14591	4.6
71.01386	26.4
72.99323	2.5
73.02943	9.2
74.99096	2.7
75.00880	3.8
81.03474	1.9
83.01398	10.5
85.02960	11.6
85.06601	8.1
87.00887	3.1
87.04545	1.1
89.02453	18.4
93.03481	3.5
95.01401	6.5
97.02962	2.4
98.46284	1.0
99.00894	1.9
101.02456	16.5
107.01400	14.0
107.05043	20.3
108.02188	18.5
109.02973	13.8
111.00867	5.5
113.02459	42.3
113.06109	2.7
114.02784	1.3
115.04050	2.6
117.03560	0.9
119.03514	7.6
119.05022	0.9
120.99693	5.7
121.03011	2.4
122.03768	1.0
123.00906	21.4
123.04539	5.0
124.01691	10.0
125.02468	90.0
126.02812	3.0
127.00358	1.5
131.03508	1.6
133.02962	1.4
135.04565	2.5
136.98949	3.8
137.02460	6.4
139.00385	7.6
139.04047	3.0
140.01202	7.3
141.01987	1.7
141.09241	2.6
143.03551	2.3
144.04588	1.5
147.04478	1.0
149.02475	2.3
149.04457	1.1
149.99602	3.7
150.03238	2.2
150.06903	3.7
150.99171	1.5
151.00385	24.6
151.04016	7.7
151.07623	1.9
152.01167	23.3
152.04904	1.0
153.01970	12.6
153.05626	1.1
157.05170	1.3
161.04590	4.3
163.04025	1.5
165.01959	2.1
165.05582	1.8
166.99834	1.2
167.03503	5.5
168.00664	22.0
169.01443	76.5
170.01808	3.9
171.06639	1.4
175.03957	2.1
177.01964	2.5
178.99886	3.0
179.03566	2.7
179.05611	4.5
179.07147	3.7
181.01529	1.1
183.06660	2.9
189.05583	2.2
189.07599	2.4
193.05096	1.8
195.06662	1.2
199.03925	1.2
203.05908	2.8
211.02498	44.6
212.02881	1.5
214.17188	0.9
215.11783	1.1
217.01730	0.9
217.05066	3.3
225.04111	1.2
225.14912	1.2
226.07379	2.2
229.14392	1.6
239.09204	1.2
241.03471	1.2
241.09798	2.8
253.09215	1.2
259.06006	2.2
271.04587	67.2
272.04968	3.4
274.04962	1.1
275.05508	2.3
281.06702	1.4
285.04092	11.9
285.08957	4.5
285.11957	1.3
285.97519	2.2
287.01929	2.3
287.15100	1.8
297.06210	2.3
300.99774	1.7
302.00238	1.0
303.05170	5.1
303.13321	1.2
311.07684	2.0
313.05640	14.8
313.09314	8.8
315.07413	1.6
325.11700	1.6
331.06693	8.1
343.13129	3.1
347.15302	1.1
387.20395	1.5
405.21362	5.6
406.15213	1.4
421.11386	34.1
422.11636	3.6
433.07672	1.2
437.11002	5.3
447.02032	5.1
447.09253	3.3
465.09515	100.0
465.15186	12.7
466.09702	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	464.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.2
59.01369	2.1
60.01715	0.3
61.98831	100.0
62.98513	0.2
69.03459	0.4
69.74550	1.4
71.01381	0.9
72.99327	0.2
73.02953	0.3
78.95915	0.4
83.01416	0.2
89.02460	0.6
97.02960	0.2
98.20633	0.2
101.02457	0.6
107.01402	0.3
109.02948	0.2
111.00956	0.2
113.02454	0.2
123.00878	0.4
125.02448	1.0
139.07495	0.2
148.50581	0.2
151.00383	0.9
163.04091	0.2
168.00664	0.3
169.01318	0.3
169.12418	0.6
170.12674	0.5
171.13948	0.4
209.06583	0.2
242.05969	0.3
253.41605	0.2
300.99646	0.5
301.03336	0.8
302.00488	0.3
302.03854	0.2
395.94977	0.2
405.12018	0.7
421.02869	0.2
433.89548	0.2
464.05328	0.3
464.13907	0.3
464.27142	0.6
465.17743	0.6
465.28336	0.7
473.04086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1039
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
56.42671	0.3
59.01381	9.5
61.98832	11.4
67.01883	0.4
69.03458	3.3
69.35248	4.5
71.01384	4.0
72.99308	0.5
73.02948	1.3
74.99055	0.4
75.00897	0.4
79.01913	0.4
81.03474	1.0
83.01385	1.9
85.02958	2.6
87.00895	0.7
87.04535	0.5
87.40044	0.4
88.98812	0.8
89.02446	1.1
93.03474	1.2
95.01366	2.0
97.02962	3.8
99.00916	0.6
101.02451	2.5
101.77942	0.4
107.01394	1.5
108.02197	1.3
109.02971	1.3
111.00911	0.9
111.04553	0.4
113.02473	1.3
119.03510	1.0
119.05051	1.5
121.02964	0.7
123.00896	6.6
123.04533	0.6
124.01682	19.1
125.02463	53.5
126.02806	1.3
135.04529	0.6
136.01666	0.5
136.08917	0.3
137.02477	4.8
139.04025	0.5
143.03513	0.4
149.99603	31.5
151.00401	4.1
151.04053	2.3
152.01187	0.6
152.03546	3.1
153.01991	2.5
161.02425	0.8
161.04550	0.9
163.04002	1.0
165.01915	0.7
165.38063	0.4
167.03482	0.8
168.00659	57.6
169.01418	6.8
170.01765	0.4
173.04628	0.5
179.03586	0.5
185.11847	0.8
193.01407	0.5
199.13412	0.6
201.01773	0.4
209.00771	0.5
211.13399	0.7
227.03543	0.6
243.15900	0.6
249.03914	0.6
255.03131	0.5
275.01923	1.1
285.03961	1.2
296.06137	0.4
299.99213	0.5
300.99893	2.0
301.03156	0.8
303.21738	1.6
313.05679	4.7
314.21585	0.4
333.19168	1.1
351.08743	0.4
351.85663	0.5
405.21091	0.8
447.03366	0.5
447.08948	2.7
447.25772	0.6
448.09778	0.6
465.10349	100.0
465.27475	9.3
466.03516	0.8
466.10565	13.1
466.27585	0.9
488.18823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
55.01885	0.7
57.03440	0.9
58.00597	0.6
59.01379	20.7
60.01725	0.5
61.98836	3.6
67.01888	0.9
68.99826	0.8
69.03458	1.2
71.01385	13.0
71.69559	0.5
72.99322	1.1
73.02953	2.5
74.99126	0.4
75.00874	0.6
76.35178	0.3
78.87523	0.3
78.91890	0.7
81.03474	1.8
83.01385	1.3
85.02956	5.2
87.00868	1.4
87.19778	0.3
89.02457	10.5
91.01904	1.2
93.03465	1.4
95.01387	3.3
96.99347	0.5
97.02975	0.6
99.00879	1.3
101.02453	8.3
107.01397	1.3
108.02187	60.4
109.02975	40.3
109.03773	0.6
110.03293	1.1
111.00870	1.6
113.02472	5.3
119.03522	4.1
121.02941	0.9
123.00896	3.8
123.04538	5.7
124.01653	1.4
125.02454	3.4
125.09734	0.4
127.59678	0.3
129.01894	0.4
131.03493	2.3
135.00891	1.4
135.04509	0.7
135.32181	0.3
136.01686	0.8
136.99135	0.4
137.02460	1.7
138.05653	0.3
139.00325	0.5
139.04051	0.4
142.71692	0.3
143.03516	1.1
145.03004	0.6
149.02490	0.6
149.04610	1.6
150.03194	1.0
151.00385	2.4
151.04007	2.2
152.01170	65.3
153.01955	41.3
154.02252	1.2
161.04568	2.3
163.04004	1.2
165.01944	1.0
165.05577	0.5
166.02698	1.0
167.03513	13.6
168.00618	0.6
168.03938	0.4
169.01459	1.8
175.03999	0.4
177.01898	0.6
177.05620	0.4
177.98981	0.4
178.99907	0.7
179.03481	0.6
179.05606	3.0
181.05074	0.7
183.10269	0.8
184.10657	0.3
185.10840	0.3
191.05574	0.8
195.02969	1.1
209.04529	0.5
217.05069	0.3
221.04553	0.4
225.03992	0.7
227.03505	0.4
227.12932	0.8
243.16028	0.7
267.07144	0.7
273.13260	0.5
281.06708	0.8
285.97488	1.1
287.14957	1.3
289.03598	0.4
296.05356	1.2
297.06149	6.3
300.99976	0.4
301.03485	0.4
311.07721	3.9
315.07187	5.6
316.07782	0.4
324.02789	0.5
333.19037	1.1
387.20142	0.6
405.17212	0.4
405.21384	3.4
406.21616	0.5
421.11411	4.1
422.11630	0.6
433.07727	2.6
447.01978	1.3
465.10342	100.0
466.10657	12.4
466.20923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.2
59.01381	10.0
60.01707	0.2
61.98833	100.0
62.98529	0.2
69.63778	1.0
71.01385	2.8
72.01735	0.2
72.99320	0.2
73.02955	0.5
75.00887	0.6
76.94332	0.1
83.01412	0.3
85.02956	0.9
87.00874	0.2
89.02465	2.7
95.01419	0.3
98.20613	0.3
101.02470	1.8
107.01443	0.2
113.02489	1.0
119.03536	1.2
123.00903	0.2
125.02502	0.4
131.03461	0.2
138.06833	0.3
139.07722	0.5
140.07965	0.3
143.03465	0.2
149.09753	0.2
151.07582	0.2
153.09248	0.5
161.03453	0.2
161.04510	0.9
167.10852	0.6
169.01460	0.3
179.05664	0.9
181.12492	0.2
202.86385	0.2
207.13878	0.1
212.81412	0.2
225.15085	0.2
241.14716	0.3
242.14711	0.8
243.16045	1.2
299.99207	1.0
300.99609	3.2
301.02887	0.3
302.00266	1.9
401.11026	0.2
403.20184	0.3
404.20074	2.5
404.25058	0.2
405.21301	7.4
420.77655	0.2
445.96384	0.2
464.05429	3.4
465.06113	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	464.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51403	0.1
57.03447	0.3
59.01382	9.5
60.01718	0.3
61.40334	0.1
61.98833	100.0
69.90588	1.0
71.01390	2.7
73.02966	0.6
75.00884	0.6
81.03504	0.1
83.01414	0.3
85.02973	0.8
87.00892	0.3
88.34645	0.2
89.02454	2.2
90.02802	0.2
95.01419	0.4
97.03000	0.2
98.20586	0.3
101.02464	1.6
108.02210	0.2
113.02465	1.2
119.03508	1.1
123.00929	0.4
125.02489	0.4
136.05382	0.2
138.06830	0.2
139.07710	0.5
140.08049	0.4
141.09193	0.4
152.01170	0.2
153.09204	0.4
161.04555	0.7
169.01465	0.4
179.05690	0.5
193.12416	0.2
206.12814	0.2
230.01915	0.2
241.14461	0.5
241.50388	0.1
242.14752	0.9
243.15981	0.9
261.66504	0.1
275.25864	0.1
299.99112	1.0
300.99561	3.4
302.00256	2.4
303.00729	0.2
401.10739	0.2
403.19846	0.4
404.20062	2.6
405.21286	5.2
464.05313	2.8
465.06076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52895	0.1
53.42160	0.1
57.03450	0.3
59.01381	17.8
61.98832	100.0
62.98530	0.1
69.77367	1.0
71.01389	1.7
78.95927	0.2
82.04649	0.1
82.07783	0.1
85.02976	0.4
87.00876	0.2
89.02453	2.7
101.02472	1.2
108.24764	0.1
113.02465	0.7
118.83846	0.1
119.03532	1.1
123.00924	0.2
125.02422	0.4
131.03491	0.2
143.03448	0.4
149.04529	0.1
149.09692	0.5
153.09169	0.2
161.04523	0.8
167.10765	1.1
169.01375	0.3
179.05647	1.1
215.67526	0.1
225.14851	0.3
243.16032	0.3
270.96350	0.1
299.98907	0.4
300.99484	1.2
302.00146	0.8
404.19830	0.2
405.16516	0.2
405.21289	2.2
422.03604	0.1
464.05341	1.1
465.05371	0.2
465.23279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.343
Annotation	3-Epicastasterone
Peak:m/z	Relative Intensity
51.10721	0.5
53.78038	0.5
55.50814	0.5
59.01380	1.3
61.98836	2.4
62.93582	0.4
65.46979	0.4
68.49651	0.5
71.01429	0.4
71.30684	0.4
71.31368	0.8
71.31686	0.6
87.00867	0.5
96.96043	0.6
108.74471	0.4
110.06390	0.5
121.02955	0.6
122.03780	0.6
123.04549	5.2
128.57567	0.6
135.04504	1.0
136.05316	6.3
137.06058	0.5
151.07668	42.3
152.07993	1.5
163.04060	1.3
163.89835	0.4
164.04808	2.6
177.49872	0.4
178.06416	1.2
179.07153	37.5
180.07468	1.2
198.33449	0.4
271.02322	0.7
299.99203	1.0
300.02689	1.2
300.99866	1.4
419.31564	0.7
435.34793	6.4
445.33005	2.4
463.34299	100.0
464.34589	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	463.3429
Annotation	3-Epicastasterone
Peak:m/z	Relative Intensity
55.01859	1.3
58.84875	0.4
59.01352	0.7
61.98826	1.1
66.93732	0.4
71.01369	1.2
71.05023	0.6
71.28574	0.8
71.28898	0.8
73.23107	0.4
95.00774	0.4
95.01380	0.9
95.05022	1.0
96.95988	1.9
105.07100	0.7
107.04398	0.6
107.05030	3.4
109.02979	1.2
109.06561	0.9
115.92546	0.4
119.50252	0.6
121.06545	0.6
123.07385	0.7
123.08188	11.5
124.01684	5.8
125.02444	3.0
125.06091	0.8
135.04512	0.6
135.08139	1.5
137.01450	0.9
137.02455	15.2
138.03174	1.5
150.21165	0.4
151.03987	1.1
151.07635	0.6
153.05591	1.6
153.87694	0.5
177.05550	1.1
267.26849	0.5
294.97531	0.5
314.67709	0.6
381.07242	0.5
403.31888	0.7
407.54175	0.5
421.33142	47.7
422.33566	7.2
435.34741	0.8
463.34113	100.0
464.34457	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	464.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.3
59.01376	3.6
61.23701	0.2
61.98833	100.0
69.03454	0.2
69.51652	1.7
71.01389	2.5
73.02948	0.5
73.28266	0.2
78.91903	0.8
83.01400	0.3
83.51254	0.2
85.02973	0.9
87.00922	0.3
89.02457	1.5
95.01381	0.5
99.00851	0.3
99.33501	0.2
101.02457	1.1
104.15955	0.2
107.01422	0.8
107.05054	1.2
109.03001	0.5
109.06623	0.2
111.00871	0.3
113.02478	0.9
119.03528	0.5
122.03751	0.2
123.00899	1.6
124.01682	0.3
125.02457	5.5
127.07670	0.2
136.98994	0.3
137.02415	0.3
139.00423	0.3
139.03983	1.0
140.01167	0.5
141.01959	0.4
143.03511	0.2
149.09659	0.3
151.00391	1.1
151.04054	0.3
153.01991	0.4
161.04785	1.0
162.05243	0.6
163.06175	0.2
165.01950	0.2
167.03500	0.2
167.10805	0.8
168.00691	0.8
169.01448	7.4
172.01733	0.3
173.02274	0.3
179.05644	0.2
185.02458	0.2
191.03342	0.2
193.01343	0.2
194.04211	0.3
200.01204	0.3
201.01584	0.4
208.60257	0.2
210.38455	0.2
211.02498	0.5
216.00734	0.3
217.01028	0.3
226.77298	0.2
228.00502	0.5
229.01126	0.4
243.99879	0.7
245.00398	0.5
258.01205	0.3
267.36047	0.2
271.04410	0.2
271.99423	0.3
272.99966	0.3
283.10861	1.3
283.99283	0.5
284.11224	2.3
285.00125	0.2
297.06268	0.4
297.21820	0.2
299.99109	10.3
300.99545	26.3
302.00180	13.8
303.00507	1.2
303.14542	0.3
313.05609	2.0
330.15286	0.3
333.18961	0.3
374.14261	0.9
376.11807	0.2
404.15271	0.4
404.20090	0.3
405.21292	1.4
421.11374	2.7
447.09482	0.4
457.06976	0.2
464.05493	25.1
464.17245	1.0
465.06052	4.7
465.10760	3.4
465.19711	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96395	0.2
54.92355	0.2
56.61167	0.2
57.03455	0.2
59.01379	6.2
60.01711	0.5
61.98832	100.0
62.90752	0.2
62.98526	0.3
69.81702	1.0
69.82122	0.4
71.01393	2.9
72.99352	0.2
73.02957	0.5
83.01393	0.3
85.02956	1.0
85.66132	0.2
89.02446	2.2
95.01395	1.1
101.02455	1.8
108.02200	0.9
108.84045	0.2
109.02986	0.7
111.00923	0.3
113.02464	1.2
114.02818	0.3
119.03540	0.7
121.16421	0.2
122.06966	0.2
123.00901	2.1
123.08180	0.3
124.01600	0.2
125.02477	0.7
129.34099	0.2
130.68942	0.2
134.10133	0.2
137.02498	0.3
139.00407	0.8
139.04053	0.9
139.07678	0.5
140.08061	0.4
151.00357	0.2
151.04060	0.2
152.01169	1.1
152.20480	0.2
153.02007	0.4
159.04494	0.2
161.04604	0.7
166.99872	0.7
169.01495	0.7
170.80310	0.2
179.05664	0.5
202.02402	0.2
223.13501	0.2
224.13673	0.3
229.01324	0.2
241.14439	1.9
242.14708	1.6
243.16080	0.5
259.02527	0.3
270.10779	0.5
291.34769	0.2
297.06088	0.2
299.99097	1.9
300.99579	5.8
302.00247	4.0
303.00537	0.3
303.08896	0.3
403.19971	1.0
404.20059	3.1
405.21326	2.5
421.07501	1.0
464.05438	5.7
465.06326	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	463.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01385	3.6
61.98829	3.4
69.03439	0.3
70.92326	0.3
70.92680	0.5
71.01404	0.9
71.05039	0.9
83.05044	0.8
85.06595	1.2
87.00928	0.2
89.02475	0.2
95.68039	0.2
96.96058	0.4
97.06625	0.6
101.02437	0.3
109.06608	0.5
113.02457	0.2
123.08160	0.3
123.67669	0.2
127.07662	6.2
137.02525	0.3
139.11325	0.6
142.94888	0.2
151.00397	0.2
153.09230	0.3
155.07169	6.3
156.45541	0.2
170.68036	0.2
171.06653	2.7
183.10280	2.4
185.11848	3.6
185.13406	0.3
191.10805	0.3
197.88866	0.2
199.46573	0.2
208.99599	0.2
209.11902	1.0
216.00494	0.2
227.12875	0.5
241.14452	0.3
255.03127	0.3
261.18585	1.5
263.20190	0.3
271.02475	1.2
273.18726	0.2
277.18094	5.8
277.21198	0.5
278.18793	1.3
279.19656	8.5
280.19937	0.6
289.21713	1.0
290.44571	0.2
291.20029	0.3
291.23209	2.7
299.99197	3.0
300.02811	1.7
300.99927	3.4
301.03510	1.0
302.00259	0.3
307.22702	2.1
308.23138	0.3
329.24924	0.5
355.26620	0.3
375.28827	0.3
383.25958	1.8
383.29926	0.6
385.27417	1.1
387.25491	0.6
389.26941	4.3
390.27658	0.3
399.29568	0.4
401.26169	0.4
401.31058	2.5
402.31296	0.4
403.19934	0.3
403.28665	1.8
417.30371	0.6
419.31802	8.9
420.32120	1.3
429.26517	0.5
445.29761	2.8
463.04361	2.5
463.30786	100.0
464.05524	0.4
464.31158	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	463.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39661	0.4
54.92628	0.4
56.12246	0.4
57.03425	0.7
58.94055	0.5
59.01379	34.5
60.96033	0.5
61.98819	1.4
70.81667	1.3
71.01354	1.5
83.05025	5.5
85.06577	1.8
97.06577	0.8
99.04475	0.6
109.06605	0.6
111.08160	2.3
137.09721	4.8
147.38310	0.4
155.07156	100.0
156.07500	4.2
169.00871	0.5
179.10791	0.6
185.44531	0.4
209.11841	1.1
231.17390	0.4
271.02493	1.4
289.18320	0.5
289.21918	0.8
299.99234	3.7
300.02893	2.8
300.99973	4.1
301.03571	1.4
305.21255	3.9
307.22772	38.7
308.23044	3.6
317.21243	3.0
319.22464	0.5
335.22208	3.3
345.27988	0.6
363.29224	1.0
389.27136	1.2
401.31299	0.9
407.28085	5.4
408.28323	0.8
419.32333	0.8
445.29892	2.4
463.05347	2.1
463.09607	1.6
463.30859	43.0
464.31293	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	463.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28789	0.3
55.58260	0.4
57.03442	0.5
57.67009	0.3
58.00596	0.3
59.01379	4.9
59.17082	0.3
61.98829	3.4
70.95737	0.9
71.01387	1.8
71.05066	0.5
73.02940	0.5
81.66831	0.3
83.05032	0.6
85.02959	0.9
85.06607	1.2
87.04534	1.1
89.02441	0.7
96.96031	0.6
97.06614	1.0
101.02465	0.7
109.06596	5.6
113.02467	0.7
113.06093	0.6
120.04823	0.3
137.09755	0.4
139.07623	0.4
145.03018	0.3
151.00383	0.3
151.11331	0.8
152.99554	0.4
155.07121	1.5
161.75580	0.3
162.01930	0.3
166.85883	0.3
177.48520	0.3
179.10764	0.3
181.12326	0.3
191.14461	0.4
207.13942	1.0
209.11885	3.0
209.15439	3.4
227.12904	0.6
233.19160	0.4
241.14444	0.6
243.02963	0.5
243.17410	0.4
253.14449	0.9
255.03050	0.8
263.16788	0.3
263.20197	0.9
271.02417	1.5
271.99570	0.3
277.18164	1.0
293.21298	1.2
299.99179	3.9
300.02817	2.1
300.99939	4.7
301.03638	1.1
302.00372	0.5
303.23123	0.3
305.21265	0.6
307.22845	0.6
309.20700	0.3
345.27924	0.3
347.22330	0.4
383.29593	5.6
384.30066	0.8
385.27408	0.6
401.30594	10.4
402.31039	1.6
403.19977	0.4
409.27295	0.4
417.30298	0.5
419.32190	3.6
427.28763	1.3
445.20590	0.4
445.29712	12.3
446.30157	1.8
463.05255	2.6
463.09555	1.2
463.30771	100.0
464.05505	0.6
464.31100	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	463.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29910	0.2
59.01382	1.7
60.99323	1.3
61.98823	1.1
68.35352	0.3
71.01388	0.5
71.75218	0.4
72.99309	0.3
75.09531	0.3
75.20233	0.2
78.95899	0.7
83.05042	0.3
85.02941	0.3
85.06583	0.3
96.96009	0.4
97.06546	0.3
101.31120	0.3
110.98550	0.3
115.04000	1.1
127.07675	2.3
152.99608	0.4
158.84673	1.0
171.10292	0.7
181.12350	0.3
185.02202	0.3
192.99936	0.3
195.13905	1.1
197.11761	1.4
209.11850	2.1
209.15295	0.4
243.03001	0.4
250.86133	0.3
255.03102	0.4
271.02460	1.5
271.05002	0.2
277.21774	0.9
286.98441	0.3
291.19717	0.3
295.22760	6.3
296.23050	0.3
299.99112	2.5
300.02753	2.7
300.99899	3.1
301.03500	1.1
329.24835	0.9
371.26028	0.6
383.29904	0.3
385.27466	4.5
386.27817	0.4
401.30618	18.2
402.31122	2.0
419.31934	2.5
427.28030	0.3
445.29709	2.6
463.04065	2.2
463.30664	100.0
464.30963	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	463.3064
Annotation	(+)-Aerocavin
Peak:m/z	Relative Intensity
50.32758	0.4
50.33012	0.4
59.01339	1.0
60.99308	8.0
61.98795	1.0
65.59016	0.4
71.05005	0.7
78.73125	0.4
78.95865	1.4
86.20574	0.4
108.50107	0.4
108.63623	0.4
127.07679	2.9
142.16588	0.4
152.99585	3.0
184.56038	0.4
191.45000	0.4
209.11765	0.8
271.02313	0.5
296.38245	0.4
299.99008	1.4
300.02570	1.1
300.99854	1.0
301.03241	0.6
329.24869	5.2
330.25388	0.4
371.25699	0.7
371.90863	0.5
385.27475	30.6
386.27753	3.7
401.30600	61.4
402.30936	8.3
419.31866	5.3
420.31790	0.7
435.31097	1.7
435.90866	0.5
445.29608	9.3
446.29901	1.0
461.28171	0.5
463.30652	100.0
464.30981	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	463.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77239	0.2
57.03414	0.4
59.01356	0.3
61.98795	0.6
71.01378	0.5
71.04984	0.3
78.95925	0.2
85.06570	0.5
97.06553	0.5
113.06032	0.2
137.09723	0.9
152.99640	0.2
157.12181	0.2
165.12810	0.7
165.90495	0.2
185.42331	0.2
191.10762	0.4
191.14337	0.4
195.13924	3.0
196.14029	0.2
207.13918	0.5
209.13550	0.3
209.15480	5.2
210.15938	0.3
211.16821	0.2
235.13438	0.2
235.16995	0.2
237.18449	0.2
249.18591	0.8
253.14423	0.5
271.02545	0.3
295.48975	0.2
299.99091	0.6
300.02493	0.4
300.99802	0.7
301.03271	0.3
345.28162	0.3
350.94534	0.2
357.28174	0.2
359.29422	0.5
373.31488	0.4
375.32797	1.0
383.29526	0.4
401.30652	10.6
402.26416	0.2
402.30850	1.3
417.30215	0.8
419.31671	45.4
420.32016	4.0
445.29657	4.8
446.30002	0.5
463.30661	100.0
464.30994	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3064
Annotation	(+)-Aerocavin
Peak:m/z	Relative Intensity
53.10554	0.6
59.01370	2.0
61.98832	3.0
69.62408	4.6
71.01373	1.3
71.05029	0.9
85.02979	1.0
85.06595	0.9
96.96030	0.6
97.06585	1.4
112.47303	0.6
117.46626	0.5
137.09734	1.6
139.11313	0.7
142.51370	0.5
149.06067	1.4
165.09180	1.1
171.10194	0.6
195.13849	0.9
209.11835	0.6
255.03047	1.3
271.02469	2.4
298.05551	0.5
299.99091	4.2
300.02774	3.0
300.99866	3.0
301.03525	1.5
319.22723	0.6
349.48111	0.6
371.96121	0.6
375.28925	3.8
377.26962	1.7
391.32196	2.0
401.30695	2.2
402.31100	0.6
403.28458	0.7
417.30099	15.8
418.30322	1.6
419.31931	7.4
427.28439	0.7
435.31131	8.5
445.29602	10.1
446.29984	1.0
463.04141	3.5
463.30618	100.0
464.30951	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46405	0.5
55.01881	1.9
57.03447	3.3
58.00608	3.0
59.01381	100.0
60.01733	0.6
61.98822	5.1
66.98899	0.6
69.81267	4.4
71.01387	67.6
72.01735	0.8
72.20724	0.5
72.99319	4.0
72.99657	0.5
73.02948	8.6
74.46017	0.6
74.99105	1.0
75.00892	2.4
81.03437	0.6
83.01389	4.8
85.02960	18.0
87.00874	4.6
89.02454	66.7
93.03472	2.7
95.01386	5.5
97.02981	0.9
98.82588	0.5
99.00891	4.5
101.02459	40.3
113.02464	27.7
119.03524	25.9
119.05061	2.8
123.00819	0.6
125.02480	2.8
131.03514	9.2
135.04547	3.2
136.99133	0.6
137.02473	3.6
139.07811	0.6
143.03539	8.0
149.04588	4.2
155.85352	0.6
159.03029	3.1
161.04575	27.1
161.93283	0.5
163.03989	4.5
168.30757	0.6
169.01485	1.2
179.05630	25.4
181.05093	6.1
191.05692	1.1
205.12343	1.2
209.11823	0.9
211.02560	1.6
227.12914	1.8
241.14429	1.4
271.04666	2.5
271.99918	0.7
281.06714	1.6
299.99194	4.9
300.02646	1.3
300.99936	5.9
301.03253	1.3
302.00345	0.8
331.17627	39.5
332.18094	2.6
345.13989	0.8
381.18555	0.6
385.18814	0.9
403.19827	9.1
419.26382	0.7
463.05389	2.9
463.12534	11.6
463.18823	2.0
463.22144	2.4
464.13455	0.7
464.21613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95151	0.2
54.80360	0.2
55.44514	0.2
57.03445	0.3
58.00595	0.3
59.01378	4.9
61.98825	2.7
63.95588	0.2
66.67992	0.2
69.03484	0.2
71.01385	3.8
72.99318	0.3
73.02948	1.4
83.01398	0.7
83.05016	0.4
85.02966	1.2
87.00874	0.5
89.02455	2.6
95.01404	0.2
97.02977	0.3
97.06577	0.3
98.19758	0.4
99.00871	0.2
101.02459	3.3
111.08200	0.5
113.02467	1.4
119.03505	0.8
125.02482	0.4
133.05081	0.4
137.02522	0.3
137.10999	0.2
143.03459	0.3
161.04626	1.4
165.12860	7.8
166.13193	0.4
179.05605	0.3
183.13916	100.0
184.14262	5.1
209.11829	1.8
227.12892	9.7
228.13245	0.7
235.08174	1.1
236.08217	0.3
246.98802	0.2
252.88046	0.2
253.09279	4.4
255.03046	0.3
256.95682	0.2
271.02399	0.9
299.99078	1.0
300.02811	1.2
300.99814	1.2
301.03458	0.6
419.07932	0.4
419.30017	0.3
445.20703	0.5
463.21820	67.4
464.16214	0.4
464.22290	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	463.2185
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
51.56807	0.5
53.10935	0.3
55.01889	0.4
57.03450	1.6
59.01380	56.6
60.01724	0.8
61.98830	1.1
65.00327	0.5
68.25332	0.4
71.01384	6.2
72.85219	0.4
72.99329	0.5
73.02948	3.5
75.00874	0.5
75.23169	0.4
76.32134	0.4
83.01401	1.5
85.02967	2.9
89.02465	1.1
95.01415	0.5
98.20610	1.0
98.56972	0.4
101.02445	5.3
107.01411	0.8
113.02480	2.8
120.06084	0.4
121.02974	1.1
134.42484	0.3
137.02454	0.9
137.09721	0.6
139.11307	21.4
140.11632	1.2
151.00381	5.1
155.10751	0.6
159.03003	0.6
161.04532	2.9
163.11276	1.5
164.01176	0.4
165.01933	0.7
165.09236	1.2
175.31621	0.4
178.99918	2.3
181.12363	7.5
182.12633	0.4
183.10281	27.5
184.10556	1.1
195.22707	0.4
209.00945	1.7
225.11349	3.5
227.12842	0.5
237.09796	2.6
243.12407	2.7
246.98836	1.7
255.02989	0.5
271.02490	0.6
299.99432	0.7
300.02661	1.0
301.00076	0.6
301.03491	8.8
301.20154	0.7
302.03784	0.8
403.19302	0.6
445.20679	4.7
446.20853	0.5
463.09216	3.4
463.21762	100.0
464.09174	0.7
464.22101	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98690	0.2
55.01876	0.5
57.03465	0.2
59.01383	7.2
61.98838	1.2
69.03457	0.2
69.55975	0.3
69.56387	1.7
71.01387	5.5
71.01776	0.2
73.02949	1.3
75.00880	0.9
80.02699	1.1
81.03458	1.2
83.01408	0.8
83.05041	5.2
84.02193	1.0
85.02957	1.6
87.00889	0.6
89.02456	3.6
93.03487	0.4
95.01396	0.5
95.05059	0.5
97.02974	0.3
99.00886	0.3
101.02463	5.1
102.02801	0.2
107.01437	0.5
107.64996	0.2
108.02175	0.6
109.02969	0.6
113.02463	2.4
119.03522	0.9
121.03019	0.3
125.02464	0.5
125.06120	0.5
131.03560	0.3
135.04550	0.4
135.08243	0.4
143.03557	0.3
149.04634	0.3
151.00496	1.1
152.01192	0.2
159.02925	0.3
161.04585	2.8
163.00400	0.5
163.11302	3.4
165.12848	1.7
166.13217	0.2
169.01503	0.4
178.99895	0.7
179.05594	0.8
181.12422	0.5
191.10779	1.0
199.13287	0.3
209.11848	100.0
210.12189	5.0
211.03923	0.3
226.02776	0.3
227.03488	0.5
227.12894	17.2
228.13199	0.7
235.08267	0.4
237.67818	0.2
243.03058	1.7
253.09296	12.4
254.02242	0.4
254.09505	0.3
255.03040	3.0
256.03357	0.5
271.02463	8.1
272.02908	0.9
272.54938	0.3
299.99234	0.8
300.02744	12.1
300.99893	0.7
301.03488	7.7
301.06677	0.3
302.04004	0.6
329.15079	0.4
331.17557	1.4
353.56659	0.3
375.20093	0.2
390.02582	0.3
403.19635	0.7
463.08771	9.5
463.21875	2.4
464.09210	1.0
485.25140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46405	0.5
55.01881	1.9
57.03447	3.3
58.00608	3.0
59.01381	100.0
60.01733	0.6
61.98822	5.1
66.98899	0.6
69.81267	4.4
71.01387	67.6
72.01735	0.8
72.20724	0.5
72.99319	4.0
72.99657	0.5
73.02948	8.6
74.46017	0.6
74.99105	1.0
75.00892	2.4
81.03437	0.6
83.01389	4.8
85.02960	18.0
87.00874	4.6
89.02454	66.7
93.03472	2.7
95.01386	5.5
97.02981	0.9
98.82588	0.5
99.00891	4.5
101.02459	40.3
113.02464	27.7
119.03524	25.9
119.05061	2.8
123.00819	0.6
125.02480	2.8
131.03514	9.2
135.04547	3.2
136.99133	0.6
137.02473	3.6
139.07811	0.6
143.03539	8.0
149.04588	4.2
155.85352	0.6
159.03029	3.1
161.04575	27.1
161.93283	0.5
163.03989	4.5
168.30757	0.6
169.01485	1.2
179.05630	25.4
181.05093	6.1
191.05692	1.1
205.12343	1.2
209.11823	0.9
211.02560	1.6
227.12914	1.8
241.14429	1.4
271.04666	2.5
271.99918	0.7
281.06714	1.6
299.99194	4.9
300.02646	1.3
300.99936	5.9
301.03253	1.3
302.00345	0.8
331.17627	39.5
332.18094	2.6
345.13989	0.8
381.18555	0.6
385.18814	0.9
403.19827	9.1
419.26382	0.7
463.05389	2.9
463.12534	11.6
463.18823	2.0
463.22144	2.4
464.13455	0.7
464.21613	0.8
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
55.01885	0.8
57.03434	0.4
58.00591	0.3
59.01380	8.2
60.53017	0.1
61.98828	0.6
62.29323	0.1
69.03474	0.3
69.43021	1.7
71.01387	5.9
72.99318	0.4
73.02947	1.5
83.01399	0.8
83.05013	0.2
85.02957	1.6
87.00887	0.8
89.02456	5.4
91.04013	0.2
95.01382	0.6
97.02968	0.3
97.06602	0.4
98.20651	0.3
99.00901	0.3
101.02460	5.7
103.04005	0.3
111.08178	0.9
113.02469	2.7
115.04002	0.2
119.03506	1.2
125.02449	0.3
127.61008	0.1
131.03508	0.2
133.05084	0.4
143.03506	0.5
157.05060	0.3
161.04579	2.0
164.65475	0.1
165.12857	8.2
166.13220	0.4
179.05614	0.5
183.13910	100.0
184.14247	4.6
197.92303	0.2
209.11865	1.9
227.12888	8.2
228.13184	0.3
235.08170	0.9
253.09277	7.8
254.09698	0.3
301.03433	0.2
357.09747	0.2
445.20917	0.8
463.21820	75.3
464.22168	7.3
480.88910	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04284	0.4
53.27012	0.5
58.00656	1.3
59.01123	1.2
59.01450	11.5
61.98907	3.8
62.52940	0.5
63.12487	0.5
69.67682	2.0
69.68111	1.7
71.01469	4.7
72.99371	0.5
73.03016	0.9
75.00964	1.5
85.03020	1.0
87.00954	0.8
89.01957	0.5
89.02547	6.5
95.01546	0.5
98.19852	0.6
101.02469	2.9
104.42974	0.6
109.03062	0.7
111.00974	1.2
113.02581	2.2
117.03574	0.6
119.03625	1.4
119.05093	0.8
125.02567	1.5
137.02512	0.9
143.03627	0.8
145.02950	3.6
146.06235	1.8
148.07834	0.5
150.03291	0.6
161.04738	1.4
163.04086	0.6
169.01512	0.7
172.01675	0.6
172.08948	2.1
179.05612	3.1
185.02556	0.9
195.43810	0.4
198.06752	7.8
200.01247	1.2
204.06712	1.3
209.11865	3.3
214.09926	2.2
216.00769	1.7
227.13054	0.9
228.00726	1.2
229.01491	0.8
237.06546	1.0
241.07303	58.7
242.07877	17.7
243.08846	7.3
243.11279	0.8
244.00243	1.5
245.00896	0.8
255.11642	0.5
256.09879	2.3
257.01212	0.6
257.10480	3.8
268.10770	0.6
269.10425	0.5
271.11179	0.6
271.14667	1.7
271.99725	1.3
282.98889	1.0
283.10815	0.8
283.90814	0.6
283.99728	0.6
285.09940	9.4
285.12851	0.6
286.10260	0.6
297.12527	0.9
299.11423	2.5
299.99115	45.5
300.99875	36.4
301.11993	0.8
302.00433	2.0
307.08310	1.5
311.11615	1.7
329.14981	2.9
331.17758	0.6
343.13007	1.0
353.12589	1.6
358.12918	1.0
359.13586	0.9
373.14053	11.9
374.14279	0.6
376.13715	3.3
377.14679	6.4
385.14050	1.1
385.18570	0.8
401.14590	4.3
403.15366	1.2
403.19727	2.5
409.14307	0.6
419.15707	100.0
420.15961	7.5
427.14908	0.8
444.87994	0.5
463.05118	44.0
463.16977	6.5
464.05353	2.8
489.51230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55021	0.2
55.01875	0.3
57.03432	0.4
58.00574	0.2
58.61032	0.2
59.01379	6.5
61.98819	0.5
66.06771	0.2
67.01884	1.0
69.03452	0.6
70.42490	0.6
70.42888	0.5
71.01383	5.1
72.99302	0.7
73.02937	0.5
75.00874	0.5
79.01898	1.2
81.47383	0.3
83.01385	1.0
85.02956	1.9
87.00866	0.7
88.98815	0.3
89.02462	2.7
95.01391	1.9
95.05036	0.3
95.23733	0.2
96.96001	0.4
97.02969	0.9
99.00893	0.3
101.02461	3.0
105.32529	0.2
105.58594	0.2
107.01406	3.4
108.02233	0.3
109.02973	0.4
111.00903	2.2
113.02477	2.2
119.03529	1.2
123.00899	15.5
124.01675	0.8
125.02463	17.7
126.02765	0.6
127.00388	0.9
127.79717	0.2
131.47198	0.2
135.04507	0.3
136.98837	1.2
137.02419	0.4
139.00380	4.5
140.01190	2.8
141.01947	2.2
147.06685	0.3
147.49863	0.2
149.02473	0.3
149.08183	1.5
151.00385	10.5
151.04059	0.5
152.01096	1.0
153.01889	1.0
154.99867	0.3
161.04591	0.5
163.03955	0.6
167.03456	0.3
167.60219	0.3
168.00682	3.4
169.01445	25.3
170.01823	0.9
175.02510	0.3
179.03462	0.3
193.01398	0.3
195.03020	0.3
205.91681	0.3
209.04619	0.3
211.02502	2.0
223.02522	0.5
253.03516	0.4
271.04541	2.8
283.07990	0.3
301.09183	0.3
313.05557	1.8
331.35608	0.2
403.19583	0.4
463.14545	100.0
464.14941	10.0
489.84622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22997	0.2
55.01882	0.4
57.03460	0.3
58.00587	0.3
58.98708	0.2
59.01380	7.1
60.03542	0.2
61.98827	0.9
67.01890	1.0
68.99821	0.4
69.03465	0.7
69.81010	0.9
69.81418	0.4
71.01385	4.6
72.99295	1.0
73.02943	1.1
79.01891	1.0
81.03454	0.4
83.01397	0.9
84.22581	0.2
85.02960	2.2
87.00894	1.0
88.98793	0.5
89.02448	3.3
95.01405	2.1
96.96044	0.3
97.02959	0.8
99.00918	0.6
101.02451	3.9
104.81361	0.2
107.01413	4.0
108.02190	0.5
109.02962	0.7
110.00105	0.3
111.00902	1.7
113.02470	2.5
115.00407	0.3
119.03535	1.5
119.05057	0.3
123.00901	14.6
124.01675	0.9
125.02462	18.1
126.02799	0.5
127.00394	0.9
130.50412	0.2
131.03456	0.3
136.98866	1.2
137.02463	0.7
139.00395	4.2
139.02205	0.6
139.04097	0.3
140.01180	2.5
141.01944	2.5
143.03520	0.4
147.06720	0.5
149.08209	1.5
151.00394	11.6
151.02264	0.8
151.03995	0.4
152.01091	0.8
153.01924	0.9
154.01659	0.3
161.04500	0.3
163.03987	0.5
165.01932	0.4
167.03474	0.4
168.00658	3.0
169.01439	24.4
170.01787	0.8
170.65517	0.2
175.02518	0.4
179.03485	0.6
179.05623	0.3
181.01527	0.4
190.38689	0.2
191.03523	0.3
211.00584	0.4
211.02464	3.2
213.02301	1.6
236.47493	0.3
250.42776	0.3
253.03517	0.4
271.04587	3.5
282.69412	0.3
283.24176	0.3
299.09329	0.3
300.99893	0.6
311.09827	0.7
313.05594	2.0
375.07452	0.5
403.03510	0.5
403.19894	0.8
463.14600	100.0
464.08502	0.5
464.14966	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	463.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
57.03456	2.7
58.00594	1.4
59.01382	40.3
61.98834	15.4
69.73133	3.0
69.73553	5.0
71.01389	36.2
71.05016	2.0
72.99310	2.0
73.02951	9.0
74.99100	1.5
75.00887	2.2
80.47624	1.0
81.03472	2.9
83.01388	5.3
83.05042	2.3
84.82010	1.1
85.02961	18.6
87.00899	3.0
88.98820	5.4
89.02454	11.5
93.03480	14.1
95.01376	4.8
95.05038	1.5
96.96040	1.2
97.02972	2.1
99.00896	4.3
101.02460	23.3
107.01402	1.0
108.02191	77.1
109.02984	56.5
109.03749	1.6
109.06618	3.0
110.03345	2.9
113.02481	13.2
117.03474	1.2
119.03548	2.8
119.05016	5.3
120.99694	1.8
121.02970	6.8
122.03826	1.2
123.00890	3.0
123.04540	1.5
125.02504	2.5
131.03526	1.9
135.04543	6.0
136.99191	1.7
137.02470	29.7
137.06113	21.2
143.03535	2.3
145.02965	3.9
146.03406	1.7
147.04578	1.3
149.04666	1.8
151.00409	4.4
151.04036	1.8
152.01173	76.1
153.01970	31.8
154.02397	1.2
155.02347	1.2
155.10800	3.4
159.02983	1.6
161.04576	14.7
163.00352	1.3
163.03986	2.4
165.01970	2.2
165.05571	1.4
165.97336	2.7
167.03464	1.4
169.01453	3.4
178.99966	2.5
180.99734	5.4
181.05083	44.5
182.05444	2.1
183.10333	1.7
191.03659	1.7
197.11867	5.0
199.09779	1.1
209.11853	37.3
210.12102	2.5
213.02310	4.1
216.00789	1.2
226.02817	1.3
226.92421	1.1
227.03508	1.3
227.12914	6.9
239.07240	1.4
241.05090	1.5
241.14468	1.9
243.02971	4.8
253.09299	6.5
254.02313	1.4
255.02956	9.4
256.03632	1.4
271.02441	18.6
272.02994	2.4
273.03964	1.1
281.06674	58.2
282.06949	3.6
283.05566	1.3
299.99191	8.2
300.02774	33.0
300.99927	8.8
301.03516	20.2
301.07040	1.7
315.07214	5.9
316.07574	1.8
331.17624	18.9
343.10303	7.1
357.08270	21.3
358.08450	1.6
389.70752	1.2
403.19421	1.6
419.30243	1.6
445.11691	13.1
445.24542	1.5
463.12961	100.0
463.20969	15.9
464.13266	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	463.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34359	0.9
57.03442	1.0
58.58431	0.9
59.01381	16.3
61.98833	64.5
65.00330	2.3
71.01384	5.9
71.73743	1.5
72.99305	1.9
73.02959	1.6
75.00871	2.3
77.03979	1.3
81.03480	1.1
83.01388	2.2
85.02975	3.3
88.98804	2.8
89.02465	2.9
93.03469	8.1
95.01376	1.6
95.05035	4.1
96.96045	1.1
97.34601	1.1
101.02457	4.1
105.03463	4.3
106.04340	0.9
108.02206	2.2
109.02963	10.3
111.00900	2.0
111.08188	1.2
113.02448	3.2
117.41254	0.9
119.01418	1.2
119.03503	1.5
120.08199	2.2
121.02973	18.2
121.06647	5.1
123.00936	2.2
123.04533	10.0
124.01653	2.2
125.02457	7.3
128.17755	0.9
131.05045	0.9
132.02167	3.3
133.02979	14.4
135.00885	0.9
135.04483	1.1
136.01711	1.6
137.02467	37.3
139.00369	1.8
139.03964	1.2
145.03004	2.1
147.00916	3.4
147.04442	1.4
148.01709	1.5
149.02457	14.3
150.03226	1.1
151.00410	4.7
151.03990	1.8
153.09219	6.4
157.01921	0.9
161.02512	1.9
161.04547	1.3
163.00404	3.2
163.03969	1.4
164.01173	12.3
164.07181	1.2
165.01950	19.2
165.05594	3.6
165.12891	2.7
169.01425	1.9
173.02402	0.9
175.00418	1.6
175.04065	1.9
176.01212	7.3
177.01949	76.0
178.02364	3.2
178.99881	9.7
179.03487	4.3
180.00598	3.3
181.01498	1.2
183.13918	35.4
183.15544	2.0
184.14270	1.1
185.02521	1.9
189.01953	2.2
190.02715	5.3
191.03532	5.4
193.01436	4.0
193.08698	1.7
202.02705	3.4
202.99883	11.8
203.03540	5.5
204.00568	1.5
204.04216	3.0
206.99294	1.9
208.00146	50.8
209.00908	26.6
209.11835	5.0
210.01314	1.3
213.14948	7.2
221.00917	100.0
222.01337	3.6
227.03549	1.7
227.12860	3.5
229.01395	3.1
229.05022	1.3
230.02142	2.6
234.90486	1.0
241.05110	1.4
241.14429	2.6
243.02943	1.4
245.00806	2.0
246.98837	68.6
247.02390	4.4
247.99281	4.2
253.09169	1.9
255.02988	2.2
255.06525	1.3
255.10249	5.1
264.99908	7.5
267.10858	1.8
269.08054	1.6
271.02502	7.0
271.09671	2.3
283.19092	1.2
297.07608	3.4
299.09222	10.1
299.99103	13.6
300.02759	10.1
300.99881	10.5
301.03473	6.9
301.15564	6.7
301.20148	1.8
325.07114	2.7
329.10303	2.5
331.11829	20.7
332.12286	1.3
343.08270	11.6
344.08496	1.3
357.10168	1.4
361.09326	5.4
373.09128	1.6
375.10880	31.2
376.11191	2.7
401.08801	28.9
402.09058	3.1
419.09933	6.9
419.30017	2.1
445.07941	1.2
463.04095	5.2
463.08823	14.3
463.21381	24.5
463.26636	3.9
463.32419	1.3
464.09335	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04677	1.0
56.39659	1.1
59.01374	5.2
61.98825	7.9
65.00327	3.0
67.01880	2.2
69.47647	12.7
71.01382	2.5
73.02966	1.4
81.03487	2.1
83.01400	2.5
89.02441	1.4
93.03474	7.9
93.07097	1.3
95.01402	1.7
95.05041	8.9
98.20592	2.2
101.02475	2.1
105.03480	3.1
108.02202	3.0
109.02969	24.9
111.00889	1.8
119.01388	2.8
121.02959	8.8
121.06612	12.6
123.00907	2.9
123.04520	6.5
124.01694	2.4
125.02482	13.4
127.07677	5.0
133.03003	7.9
133.06610	3.3
135.04555	1.8
136.01685	1.7
137.02466	100.0
139.00357	1.8
139.04022	3.5
139.67699	1.1
147.00864	5.9
147.04533	2.6
148.01646	1.4
149.02464	10.8
150.03242	3.0
151.00424	3.3
151.04073	5.8
153.01985	1.9
153.09225	16.9
155.03551	3.2
155.10786	1.3
161.02455	1.6
161.06137	1.5
162.03255	1.3
163.00397	5.5
163.03979	1.7
164.01167	15.4
165.01949	51.6
165.05609	4.4
166.02417	1.6
169.01421	4.2
173.02429	2.1
174.03268	1.6
175.00366	2.8
175.04002	4.9
176.01184	5.3
177.01945	72.9
177.05508	4.2
178.02692	6.0
178.99881	9.2
179.03473	14.5
180.00623	3.3
181.01491	2.4
185.02464	1.2
189.02049	2.9
190.02702	7.5
191.03502	10.1
192.04338	1.6
193.01451	2.0
193.08754	4.8
195.02940	1.7
202.02675	6.2
202.99895	16.3
203.03516	11.5
204.04294	5.4
206.99408	4.0
208.00148	47.5
209.00917	70.3
210.01511	4.1
213.05490	1.2
215.03644	2.0
221.00917	85.5
222.01361	5.0
225.05663	1.7
227.03688	2.0
228.04271	1.4
229.01599	1.9
229.05072	2.1
230.02208	3.8
237.09253	1.7
243.02907	1.9
243.10185	1.5
245.00935	2.5
246.98833	99.9
247.02441	7.5
247.99326	5.7
248.02902	1.4
253.08766	1.4
255.02982	1.6
255.06421	1.7
255.10229	10.4
264.99908	1.5
269.04706	1.5
269.08154	1.5
271.02557	2.2
271.09802	7.6
278.70187	1.3
281.08261	1.8
297.07782	4.3
299.09222	24.3
299.99176	4.3
300.02658	3.7
300.09775	2.2
300.99915	5.8
301.03314	2.8
329.10275	2.7
331.11856	40.6
331.15933	2.0
332.12048	2.8
343.08255	34.7
344.08673	2.3
361.09335	13.4
367.94995	1.3
373.09335	2.3
375.10852	50.2
376.11221	4.6
401.08786	25.1
402.09174	2.1
419.09912	10.5
441.64359	1.6
463.09543	9.3
463.26080	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	463.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.7
59.61631	0.4
61.98825	3.0
65.38857	0.4
67.74274	0.4
69.76054	2.9
71.01373	1.5
71.49336	0.4
82.16401	0.4
85.02933	0.6
88.98804	0.8
89.02449	1.4
98.20632	0.5
101.02448	0.9
113.02494	0.4
117.47283	0.4
119.03497	0.5
139.07674	0.5
160.01683	0.7
161.04660	0.6
172.01646	2.0
185.02443	1.7
188.01180	0.9
194.84064	0.4
200.01129	2.1
201.01927	0.9
216.00668	3.0
223.13354	0.5
226.99898	0.8
228.00642	2.3
229.01372	2.1
241.14398	4.3
242.99220	0.8
244.00078	4.1
245.00948	0.4
257.00873	1.6
270.98877	0.7
271.99722	2.4
282.98846	1.6
283.10953	0.4
283.99521	1.8
298.98315	1.1
299.99109	100.0
300.99872	83.5
302.00165	4.0
403.19699	2.8
424.63098	0.4
435.40259	0.4
463.05167	80.6
464.05533	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	463.0881
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
59.01381	0.4
65.00334	0.8
69.45101	2.3
69.45530	1.9
75.40636	0.3
76.68920	0.3
79.88330	0.3
83.01413	0.5
84.31585	0.3
107.01405	1.6
108.02211	0.7
109.02974	0.8
121.02992	1.3
125.02505	0.4
148.01724	0.6
151.00392	9.3
153.36230	0.4
159.04521	0.4
162.65190	0.3
163.00389	2.0
164.01143	0.5
165.01930	0.4
169.01419	0.6
172.05261	0.4
178.99883	5.1
211.03990	0.8
215.03632	0.4
226.02711	1.4
227.03450	1.4
229.04919	0.7
239.03427	0.5
243.02963	7.3
244.03513	0.5
245.04529	1.1
254.02223	2.4
255.02975	18.9
256.03345	1.1
271.02466	40.1
272.03012	3.9
273.04068	1.1
283.02451	1.2
295.11899	0.4
299.02026	1.0
300.02756	100.0
301.03494	52.3
301.07111	0.6
302.03741	1.7
312.70590	0.4
329.80872	0.4
343.04556	0.5
381.11267	0.4
397.54425	0.4
463.08807	81.2
464.09174	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	461.2908
Annotation	Lucidenic acid M
Peak:m/z	Relative Intensity
57.03439	0.5
59.01377	3.9
60.99310	1.1
61.98833	4.0
71.01382	1.0
71.05023	0.4
78.95911	0.6
81.65571	0.3
83.05040	0.7
83.19533	0.3
85.06597	3.0
95.05048	0.3
96.07513	0.3
97.06625	0.5
97.51878	0.3
99.00896	0.3
101.02434	0.3
107.05032	0.4
109.06599	3.5
127.43228	0.3
136.01662	0.9
152.99600	1.4
155.07159	3.1
163.11327	0.5
196.08908	0.3
207.10240	1.6
217.12387	0.3
225.11409	1.3
229.29929	0.3
235.09712	0.3
253.09233	0.3
257.19144	0.4
279.78687	0.3
287.20044	0.4
289.21683	0.7
305.21140	2.8
309.22232	2.2
319.19168	0.7
323.23749	0.4
325.25311	1.3
339.26917	9.7
340.27353	1.0
355.26343	0.5
361.27521	3.4
362.28012	0.5
365.25015	0.6
369.24734	0.4
371.25919	1.3
383.25974	1.9
386.13736	0.5
399.29056	16.6
400.29443	1.9
401.16150	1.3
401.27408	0.4
405.26373	0.4
415.28592	1.3
417.30515	2.2
443.27927	5.3
444.28418	0.5
461.29129	100.0
462.29434	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	461.2909
Annotation	Verbacine
Peak:m/z	Relative Intensity
54.77399	0.3
55.60270	0.3
57.03479	0.7
58.91196	0.2
59.01164	0.2
59.01419	1.2
59.73859	0.3
60.18739	0.2
61.98874	0.7
70.31237	0.5
70.31642	1.0
71.01439	0.8
77.40096	0.2
78.95937	0.4
80.45644	0.2
85.03054	0.3
85.06223	0.3
85.06609	1.4
90.43823	0.2
93.66980	0.4
97.06606	7.4
109.06679	0.4
110.98591	0.4
111.04578	0.3
113.09804	1.2
137.09805	0.8
139.11343	0.3
149.09851	0.3
151.11467	0.3
153.51018	0.3
154.06526	0.3
155.10951	0.2
167.10805	0.3
179.10800	0.4
185.02299	0.3
189.09338	0.5
191.10858	0.3
195.13904	2.7
207.10423	0.4
207.13924	2.1
209.15472	3.8
211.16994	0.4
235.09944	0.3
247.17149	0.5
249.22255	0.3
253.14508	0.6
273.22620	0.4
293.21228	6.8
294.21689	0.4
301.21838	1.1
319.22849	3.2
357.27863	0.7
371.29568	0.3
373.31232	1.7
381.27499	0.4
383.25885	0.7
399.29068	6.9
400.29526	0.7
401.26929	0.4
413.26535	0.3
415.28571	0.4
417.30106	52.4
418.30435	4.7
443.27979	4.0
444.28528	0.3
461.29053	100.0
462.29425	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	461.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65352	0.2
57.59340	0.2
59.01381	100.0
60.01722	0.7
61.15615	0.2
61.98830	3.0
62.78931	0.2
69.17744	0.2
71.01392	3.6
72.99349	0.3
73.02946	1.1
83.01416	0.5
85.02962	1.7
87.00935	0.3
89.02460	1.1
95.01418	0.3
98.20728	0.4
99.00933	0.5
101.02464	2.4
113.02472	1.9
119.03519	0.4
129.02077	0.2
155.07137	0.3
159.03003	0.3
161.04590	3.0
183.13907	0.6
270.01883	0.3
401.25433	6.6
402.25598	0.5
417.26425	0.5
445.24582	0.6
461.07324	0.2
461.28589	4.0
462.29135	0.7
477.77289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2908
Annotation	Verbacine
Peak:m/z	Relative Intensity
57.22689	0.3
59.01379	1.7
59.98527	0.8
60.99312	5.1
61.98827	2.8
69.46664	3.6
83.05044	0.4
84.17480	0.3
85.06587	2.1
97.06602	0.9
104.04843	0.3
109.06596	0.4
127.07669	3.7
136.59946	0.4
147.06831	0.3
151.11305	0.7
159.65639	0.3
179.10820	1.0
195.10310	0.4
197.11853	1.5
219.17604	0.4
225.11330	0.4
263.16470	3.7
265.18054	1.4
299.20227	0.5
319.22375	0.4
331.22900	0.6
352.13293	0.4
369.24362	0.8
381.28000	1.5
383.25912	11.1
384.26337	1.3
397.27640	1.1
399.29056	100.0
400.23566	0.7
400.29364	14.9
417.30273	2.7
431.27737	0.5
443.27963	4.3
444.27869	0.4
461.29071	72.6
462.29388	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	461.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.07780	0.2
57.03439	0.4
59.01380	100.0
60.01456	0.2
60.01712	1.3
61.98832	9.4
69.76969	1.5
71.01387	5.7
73.02958	1.8
83.01418	0.7
83.75102	0.2
85.02975	1.7
87.00907	0.3
89.02459	1.9
95.01407	0.4
99.00922	0.7
99.04522	0.2
101.02448	3.3
113.02469	2.8
113.13305	0.2
119.03535	0.6
143.03572	0.3
159.03024	0.6
161.04565	5.4
183.13922	0.6
206.15018	0.2
207.10387	0.3
225.11426	0.8
239.16628	0.3
273.00360	0.5
285.04016	0.2
329.19769	0.4
348.92859	0.3
365.76489	0.3
401.25555	13.9
402.25821	1.3
445.24475	1.2
461.11691	0.2
461.28723	3.2
462.27582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.1
57.03448	3.9
57.03687	0.6
58.00596	3.8
59.01380	94.2
60.01713	0.9
61.98832	10.3
69.03473	1.1
70.87308	2.0
71.01385	48.5
71.99537	0.5
72.99309	4.6
73.02953	28.4
81.03476	1.0
81.07078	0.6
83.01405	3.3
83.05029	1.9
84.02173	0.6
85.02958	13.7
87.00883	3.7
87.04514	1.3
88.98803	0.9
89.02454	48.8
90.02755	0.7
90.37138	0.5
93.03465	1.4
94.57008	0.6
95.01407	3.4
95.04984	0.9
95.24184	0.5
97.02989	2.9
99.00890	3.0
99.04531	18.9
101.02454	28.5
107.01424	0.7
107.89279	0.5
108.02202	3.3
109.02965	13.7
109.05972	0.7
109.06609	9.7
111.04534	1.0
111.08134	0.7
113.01692	1.1
113.02460	18.1
117.03458	1.6
119.03525	17.7
119.04899	2.9
120.99657	0.9
121.02995	0.9
121.06609	0.9
123.00887	1.0
123.04523	1.3
123.08170	0.8
124.01633	0.9
125.02496	3.0
125.06110	0.7
127.07619	2.2
131.03450	2.4
133.02914	1.4
133.10187	0.7
134.03673	0.8
135.04543	5.4
135.08134	1.0
137.02393	1.3
137.06065	1.4
137.09683	1.8
139.03961	0.7
139.11253	1.4
142.02663	0.7
143.03503	4.3
145.02995	4.5
149.04517	1.6
149.06007	0.7
151.04016	1.1
152.01154	5.2
153.01956	19.8
153.09175	1.2
154.02238	1.2
155.07091	2.1
161.02541	3.0
161.04604	6.0
161.09590	1.1
163.00327	0.7
163.03906	2.3
163.07603	1.4
163.11311	5.1
163.14859	1.4
165.01875	1.2
165.09178	0.9
169.01335	2.0
173.04454	0.7
177.01718	0.6
179.03577	4.4
179.05621	9.1
179.10672	1.7
180.04260	0.8
181.08594	1.0
181.12238	2.4
183.10278	4.9
189.01886	0.6
189.09135	0.6
191.01801	0.7
191.05472	0.9
195.06491	1.7
197.11807	2.9
202.99890	0.8
204.06569	0.6
207.10280	27.4
207.13470	1.9
207.72382	0.7
208.10544	1.4
225.11337	26.0
226.11537	1.8
227.03407	0.8
237.09439	0.8
239.12790	1.1
240.04048	0.6
241.01157	2.6
242.01897	1.1
243.02835	0.8
243.12180	1.4
245.00684	1.4
246.98553	0.9
248.22316	0.7
253.09248	4.2
269.13635	0.8
269.98032	0.7
270.01404	3.3
270.04327	0.8
270.98517	1.2
271.02112	2.2
281.17581	100.0
281.22070	2.5
282.17917	7.8
285.03995	4.8
297.12192	1.9
297.97116	2.3
298.00607	1.4
298.98309	1.1
299.01620	4.7
299.05222	1.2
299.18170	0.8
299.99115	33.5
300.02347	1.4
300.99097	2.7
312.99835	5.3
314.00107	1.3
315.01477	31.0
315.07043	8.1
316.01364	2.6
328.01721	2.1
401.21225	2.1
418.86127	0.7
461.05664	16.1
461.10678	3.1
461.18805	30.3
461.23996	7.3
462.06723	2.0
462.19641	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06233	0.9
57.03429	1.3
59.01368	8.0
60.71798	1.2
60.87341	0.9
61.98835	6.9
71.01390	2.4
71.05019	1.7
76.68268	1.0
78.95908	7.7
85.03011	1.0
85.06580	2.4
87.04527	1.6
97.06598	2.3
109.06590	1.2
110.98543	8.1
111.04488	2.2
111.08151	1.3
113.06056	1.1
116.98026	1.1
123.08195	1.2
152.99516	1.1
163.11241	1.2
167.01183	1.9
176.07649	0.9
185.02289	5.7
195.13878	9.2
207.10318	2.1
211.13437	1.3
223.13385	6.4
225.11284	2.2
228.13684	1.1
241.01280	1.2
256.13101	1.2
275.20279	5.4
293.21225	100.0
294.21582	8.0
379.56259	1.1
399.29056	4.5
417.30157	3.5
439.42642	1.2
443.28027	3.2
451.19022	1.0
461.23178	25.0
461.29102	40.1
462.23825	1.9
462.29398	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	461.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03451	2.7
58.00594	4.3
59.01382	84.6
61.98833	6.3
69.03447	1.1
71.01386	44.6
71.05027	1.2
71.76151	1.0
72.99319	2.9
73.02951	26.7
75.26131	0.9
76.69235	0.8
83.01389	2.0
84.02176	0.9
85.02967	11.4
87.00893	3.8
89.02457	48.0
90.02774	0.8
93.03486	0.9
95.01404	2.6
97.02962	2.5
97.06613	1.2
98.32935	0.8
99.00888	1.6
99.04534	22.5
101.02464	21.7
108.02212	3.1
109.02967	18.9
109.06624	6.7
113.02466	15.8
117.03477	1.0
119.03522	20.2
119.05018	2.3
123.04591	1.6
124.01708	0.8
125.02448	2.4
127.07683	2.4
128.98094	0.8
131.03520	2.3
135.04556	4.6
137.02408	1.0
137.06070	2.1
139.11301	1.4
143.03539	3.2
145.02986	4.4
149.04579	2.0
151.04051	0.9
152.01173	4.1
153.01959	21.4
153.09207	0.8
155.07127	2.1
161.02458	1.1
161.04587	5.1
161.09802	1.3
163.04018	1.6
163.11317	3.4
163.15012	1.3
163.29955	1.0
164.01126	1.0
165.01939	1.9
169.01279	1.1
179.03503	2.5
179.05649	8.2
181.12320	1.9
183.10262	5.2
195.06651	2.6
197.11877	3.3
197.22693	0.8
199.93355	0.9
207.10294	23.0
207.13896	1.5
225.11327	21.5
239.12857	1.1
241.01511	2.0
245.00757	1.1
253.09326	4.7
269.98074	6.9
270.01373	2.0
270.98639	1.1
271.02487	1.3
281.17578	100.0
282.17935	4.3
285.00385	4.3
285.04068	3.1
297.12378	1.3
297.97589	15.6
298.00931	1.9
298.98480	1.4
299.01923	3.0
299.05179	1.4
299.18375	1.2
299.99133	17.2
300.99661	1.4
312.99902	30.4
314.00204	2.4
315.01520	14.1
315.07156	7.7
328.02243	17.6
381.32748	0.9
401.21719	1.7
446.04962	1.7
461.07324	27.4
461.11719	4.8
461.20074	24.1
461.24582	15.0
462.07254	1.7
462.19617	1.6
462.25250	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	461.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75613	0.7
55.01866	2.6
57.03440	2.3
59.01382	59.5
69.03463	0.8
69.59611	1.0
69.60014	4.3
71.01385	40.5
72.99297	1.5
73.02955	13.4
75.00873	0.7
83.01398	5.8
85.02960	19.2
87.00895	1.4
89.02434	5.2
91.60365	0.7
95.01411	3.0
97.02920	1.7
99.00906	5.6
101.02457	33.0
113.02466	16.4
119.03537	0.7
124.01673	0.6
125.02481	2.3
129.01952	1.2
131.03529	24.2
143.03554	2.1
149.09688	1.1
159.02985	4.6
161.04588	22.6
163.50867	0.7
169.01419	1.6
177.09241	2.8
203.10889	0.8
221.11861	2.5
239.12808	1.3
240.90437	0.7
269.10297	100.0
270.10699	4.8
274.93393	0.6
352.48181	0.7
401.14432	22.2
402.14850	1.7
461.13196	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12299	1.8
55.01872	1.6
57.03440	14.7
59.01379	100.0
61.98810	4.7
70.45306	4.3
71.01384	55.3
72.88911	1.8
72.99291	3.5
73.02958	9.0
74.53222	2.0
83.01381	3.4
85.02947	16.1
85.23953	1.5
87.00871	3.7
89.02450	58.5
95.01405	3.0
98.19888	1.6
99.00851	3.9
101.02448	35.2
106.21221	1.4
113.02466	29.3
119.03522	19.5
121.02931	2.2
121.06601	3.1
123.00863	4.5
123.04534	2.5
123.08107	4.6
124.01727	1.5
125.02451	16.2
131.03490	3.0
133.06613	1.6
135.04497	4.2
135.08206	1.9
135.39029	1.6
137.02368	2.0
139.00298	2.3
140.01141	2.1
143.03453	7.1
147.06642	3.5
147.08133	2.0
149.09726	8.1
151.00383	2.8
151.07678	19.4
159.02939	4.8
161.04587	35.2
161.05914	3.0
161.09706	7.7
163.06691	1.3
163.07660	14.7
164.08157	1.6
165.09215	24.8
167.03461	2.9
168.00703	7.7
169.01447	17.8
173.09644	3.8
177.09207	33.1
179.05632	21.8
179.10774	16.1
188.08403	6.3
191.10760	6.8
191.25920	1.6
193.12297	2.0
195.10330	9.4
203.10794	62.7
204.11034	3.3
211.02502	25.5
211.04364	3.3
221.11827	93.5
222.12111	6.7
271.04584	25.4
309.11951	17.6
331.06705	2.1
383.17026	5.9
401.18225	8.6
461.12805	66.4
462.13071	7.8
487.09842	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03453	0.6
58.00581	0.7
59.01381	34.9
60.01706	0.4
61.98819	1.0
63.96237	1.4
64.39196	0.3
65.12424	0.3
67.01877	0.6
69.03459	0.5
70.99763	0.9
71.01385	15.3
71.05000	0.4
72.99288	0.9
73.02949	1.8
74.99079	0.8
75.00863	0.5
79.01895	0.9
83.01383	1.4
83.05062	0.5
85.02957	5.4
87.00874	1.4
89.02457	14.1
93.03465	0.5
95.01402	2.1
97.02950	0.9
99.00906	0.5
100.77369	0.4
101.02463	8.2
107.01405	4.3
109.02924	0.9
111.00897	1.9
111.04532	0.7
113.02460	6.3
117.97325	7.3
119.03523	6.4
123.00906	13.0
124.01619	0.4
125.02464	18.6
126.02769	0.8
127.00395	0.7
129.05539	0.7
131.03532	1.0
136.98854	0.4
137.02426	0.4
139.00409	3.0
140.01154	2.0
141.01979	2.2
143.03496	1.9
147.06656	7.6
149.04536	0.5
151.00397	9.9
151.04086	0.4
153.01927	1.0
153.09218	0.9
161.04550	2.7
163.03966	0.5
165.09227	0.5
167.03470	1.0
168.00682	3.0
169.01451	25.4
170.01753	1.0
179.04025	0.6
179.05643	9.0
191.10722	1.5
196.02023	0.8
203.10791	0.6
211.02538	5.0
211.04420	0.9
221.11879	2.1
239.05673	0.3
239.12881	1.4
253.03445	0.6
271.04660	5.2
272.05017	0.4
296.27722	0.4
298.03632	2.1
299.04562	0.5
309.11978	3.1
313.05670	3.8
334.75549	0.3
371.17294	0.6
399.12845	0.5
401.10907	1.3
401.18164	2.0
423.08975	0.6
461.12964	100.0
462.13382	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	461.1088
Annotation	LMPK12110738
Peak:m/z	Relative Intensity
55.07636	0.3
55.25419	0.4
58.00570	0.7
59.01379	16.6
59.98508	0.7
60.01719	0.5
61.98832	17.8
69.03458	5.5
69.18173	0.3
71.01385	15.3
71.67744	0.7
72.99294	0.7
73.02948	1.4
78.95915	0.3
81.03464	1.7
83.01385	2.0
83.05089	0.4
85.02956	2.9
87.00900	0.5
89.02453	17.6
95.01389	1.9
97.02934	3.7
97.06668	0.5
99.00880	0.9
99.04525	1.4
101.02464	4.5
107.01394	1.3
108.02168	0.6
109.02966	0.9
109.06554	0.5
111.00910	0.3
113.02468	2.7
115.31449	0.3
115.92081	0.4
119.03530	0.9
121.02978	0.5
123.00905	7.1
124.01683	20.3
125.02462	62.1
126.02796	1.7
131.03505	3.8
136.01656	0.4
137.02473	2.6
139.04034	0.5
141.72482	0.4
143.03539	0.8
147.04529	4.1
149.02495	0.4
149.04588	3.9
149.99600	34.9
151.00438	2.7
151.03947	0.4
161.02437	0.4
161.04550	1.0
167.03511	1.1
167.10788	70.3
168.00655	61.1
168.11134	3.4
169.01384	4.9
175.08623	0.4
177.01949	0.4
183.13930	0.8
191.05571	0.6
225.11446	0.7
233.06633	0.7
255.02827	0.8
283.02689	0.4
293.08777	3.8
299.05423	0.6
313.05600	1.3
327.21735	0.5
378.01514	0.4
430.62552	0.4
443.09818	2.7
444.10651	0.5
461.10883	100.0
462.11215	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	461.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38803	1.1
52.21103	1.0
59.01382	24.5
60.99311	2.6
61.98835	5.5
71.01384	9.6
72.99300	2.5
73.02958	3.1
75.00883	1.7
81.03460	1.3
83.01428	1.7
85.02959	5.1
88.98812	17.1
89.02439	7.6
93.03487	2.2
95.05085	2.1
97.03053	1.2
98.19831	2.6
101.02467	5.8
108.02178	12.3
109.02969	100.0
109.06577	3.1
110.03318	2.8
111.04561	1.6
113.02434	5.4
117.03481	17.5
119.03597	1.9
119.05045	18.0
121.02985	1.2
123.00893	3.2
123.04542	52.7
125.02496	2.2
133.54485	1.2
135.04553	11.2
137.02454	5.2
145.02972	80.4
146.03363	3.5
151.00404	1.3
151.04002	2.4
152.01176	20.2
153.01961	100.0
153.05582	47.3
154.02245	3.4
161.04541	1.9
163.04048	14.2
163.11290	2.3
164.04802	1.1
179.03525	3.3
195.02992	1.6
195.06590	1.4
197.99586	1.7
199.70128	1.1
201.18474	1.3
207.10329	8.2
225.11362	7.3
241.01506	2.1
253.09291	1.5
254.99257	2.2
255.02997	14.3
269.04617	1.2
269.98083	23.1
270.01312	1.6
271.02527	2.2
281.06580	6.8
281.17645	3.3
283.02502	11.6
284.03143	2.1
285.00464	16.1
285.03662	2.8
297.97562	60.4
298.04681	3.3
298.97931	4.0
299.02194	2.1
299.05539	2.3
299.99106	2.1
307.08243	48.7
308.08600	3.7
312.99915	98.0
314.00226	6.7
315.01392	2.6
315.07230	45.3
315.10886	2.5
316.07739	3.3
327.64066	1.0
328.02234	64.2
329.02597	5.2
359.38083	1.3
412.38873	1.2
437.12381	1.2
446.04095	6.5
461.06519	39.0
461.10980	80.0
461.20245	6.1
461.24408	7.1
462.12448	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	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59810	0.6
55.01892	0.7
55.38775	0.6
57.03440	1.3
58.00605	0.7
59.01381	23.9
60.11885	0.8
60.34000	0.7
61.98831	16.9
71.01387	11.1
72.99282	1.4
73.02942	4.9
75.00852	0.9
81.03458	1.1
83.01400	1.1
85.02946	4.6
87.00874	1.0
89.02457	7.8
91.70220	0.6
93.03467	2.8
95.01400	2.1
99.04544	3.2
101.02464	5.3
108.02184	52.9
109.02976	40.5
109.03544	0.7
111.00890	1.3
113.02470	3.9
117.03484	18.9
119.03524	2.4
119.05022	7.2
121.02991	1.0
123.00911	1.7
123.04554	1.2
125.02444	1.0
133.02979	1.1
134.03786	0.9
135.04550	7.6
137.02454	3.1
137.09683	1.0
145.02966	61.1
146.03307	1.7
147.04494	1.0
149.06013	0.7
151.04005	1.4
152.01172	72.9
153.01958	41.6
153.02902	0.6
154.02315	1.8
161.02463	2.2
161.04572	2.1
163.04025	6.8
163.07642	1.6
164.04803	1.4
165.01981	0.9
176.01180	1.1
177.01894	2.4
178.02211	1.0
178.99767	0.7
179.03514	2.1
179.05667	1.2
179.07140	2.1
179.10788	1.0
181.08739	0.8
183.10249	0.7
186.03200	1.3
194.90404	0.7
197.11723	0.7
207.10318	1.3
213.05580	1.2
214.02676	2.8
222.00253	0.7
223.09747	0.9
225.11360	4.2
237.06143	0.8
237.09886	0.8
241.01445	10.9
242.02090	3.1
243.02917	1.0
245.00842	4.8
246.98692	0.7
253.09367	1.0
270.01691	10.2
271.02414	6.8
281.06732	2.3
281.17599	13.1
282.17920	1.1
285.01334	0.8
285.04022	4.3
298.01147	3.8
299.02072	8.3
299.05328	1.1
299.99109	7.2
300.99298	0.8
307.08139	2.0
315.01788	5.3
315.07199	38.4
316.01770	0.8
316.07611	2.3
341.12173	1.0
401.21576	1.3
417.11877	1.9
461.11288	100.0
461.19351	9.4
462.11737	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	461.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23710	2.9
57.03482	0.7
57.90135	0.8
58.00623	1.3
59.01102	1.1
59.01381	28.3
61.98833	4.0
64.81874	0.7
65.18536	0.7
68.94989	0.6
71.01391	11.4
71.74280	0.9
72.99368	1.0
73.02958	5.4
75.00895	1.1
81.03519	0.7
85.02979	4.0
87.00905	1.7
89.02469	9.1
89.02983	0.8
91.01931	0.9
93.03504	1.4
95.01427	1.1
99.00913	1.4
99.04533	3.6
101.02463	6.8
108.02188	12.8
109.02968	96.0
109.06602	1.4
110.03323	2.4
111.00908	0.8
113.02476	6.1
117.03479	10.5
119.03580	3.7
119.05048	13.7
121.02988	1.5
123.00906	2.6
123.04539	25.4
125.02480	1.1
127.07665	1.0
135.04550	1.4
137.02435	1.8
143.03410	0.9
143.94054	0.7
145.02975	46.6
146.03304	1.0
149.06017	1.0
151.00313	0.9
151.03978	1.5
152.01172	18.7
153.01961	95.2
153.05586	25.3
154.02261	2.1
161.04602	1.1
163.04054	9.4
163.11278	0.8
164.01082	0.8
165.01878	3.3
167.10750	0.9
179.03394	3.1
179.05560	1.2
179.10703	1.0
180.04213	1.8
183.10175	1.6
195.06673	6.6
197.11743	1.3
207.10283	5.1
225.11325	5.0
241.01132	1.4
253.09224	0.9
254.99083	1.4
255.02966	1.5
257.00565	2.6
269.13483	1.0
269.98074	24.0
270.01028	2.7
270.98190	1.7
271.02164	1.8
281.17593	19.0
282.05420	0.8
282.17682	1.3
283.02087	1.9
285.00040	13.9
285.03571	3.1
286.00342	0.8
297.05887	1.6
297.97571	53.1
298.00833	2.6
298.97540	3.2
299.01080	1.3
299.05075	0.9
299.98636	2.1
307.08228	26.0
308.08188	1.7
312.99902	100.0
313.03363	4.8
314.00232	6.0
315.00952	1.2
315.07224	42.8
315.10623	2.2
316.07199	1.7
328.02243	62.4
328.05951	2.5
328.07532	1.8
329.02594	4.2
364.52600	0.7
417.27917	1.0
423.09198	0.8
446.04761	7.1
461.05453	66.4
461.10266	27.9
461.19000	12.5
461.24210	3.9
462.05704	6.8
462.10901	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	0.5
57.03380	0.9
58.15557	0.4
59.01289	17.5
59.01621	3.7
61.98742	2.0
65.88029	0.5
68.12284	0.5
69.03385	0.6
69.41155	0.4
69.54633	3.3
69.55043	1.1
71.01291	7.1
71.01714	0.7
72.99220	1.4
73.02856	2.5
73.03246	0.9
75.60738	0.5
81.03396	0.8
83.01321	0.9
85.02858	2.9
86.39517	0.5
87.00793	1.5
89.02344	2.9
93.03353	2.0
93.03912	0.5
95.01324	1.1
99.04449	0.7
99.25977	0.5
101.02453	5.7
108.02194	30.4
109.02853	18.5
109.03662	1.2
113.02438	3.0
117.03484	11.4
118.80287	0.5
119.01367	0.5
119.03413	1.5
119.05058	3.8
121.02919	0.7
123.00803	0.6
123.04486	0.6
133.02834	1.7
135.04463	1.2
135.08105	0.7
137.02356	2.2
137.09726	2.6
139.00128	0.5
139.11261	0.5
143.03453	0.5
145.02979	40.1
146.03419	1.5
147.00879	0.5
151.00127	0.5
151.03949	0.9
152.01180	45.5
152.42290	0.4
153.01968	19.6
153.09200	0.6
159.02855	0.6
161.02481	2.7
161.04546	2.8
161.09647	1.2
163.04056	4.3
163.07669	2.8
164.04768	0.9
175.03987	0.5
177.01790	1.9
178.02208	1.6
179.02319	0.6
179.05553	0.9
179.07036	1.0
179.10706	1.7
180.68898	0.5
181.08618	2.2
183.10188	0.5
186.03133	1.1
197.11884	0.6
200.01042	1.0
202.99728	0.6
207.10201	0.5
213.05540	1.0
214.02525	1.7
214.77548	0.5
216.00522	0.7
223.09708	1.3
225.11491	0.9
237.09676	1.5
241.01425	5.0
242.02182	2.8
242.99127	1.0
244.00095	1.3
245.00882	3.0
246.98828	1.0
270.01666	8.2
270.98801	3.8
271.02402	5.1
271.99429	0.7
281.06613	1.7
281.17569	4.0
283.02295	0.5
285.04022	1.7
297.12421	0.5
298.01215	2.7
298.98282	3.4
299.01968	6.2
299.99121	100.0
300.99438	5.5
307.08044	1.1
314.00662	2.2
315.01486	93.8
315.07019	21.2
316.01862	6.6
316.07642	1.9
401.21942	0.9
417.12698	0.7
433.07907	0.9
439.80820	0.6
443.19424	0.9
461.06595	13.9
461.11087	50.7
461.20609	27.2
462.06949	1.7
462.12607	4.7
462.20459	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	460.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.0
60.01721	0.7
60.99327	0.2
61.01822	0.2
61.98834	100.0
71.01388	1.1
72.99314	0.3
73.02942	0.2
78.95965	0.2
85.02978	0.7
87.00958	0.2
87.04523	0.2
87.14082	0.2
88.98812	0.3
89.02468	0.7
96.12935	0.2
97.03016	0.2
99.00891	0.3
101.02449	0.9
109.03082	0.2
109.06600	0.5
113.02480	0.3
119.03542	0.4
119.09877	0.2
125.02471	0.4
134.03772	1.4
137.09799	0.2
139.04042	0.2
140.90785	0.2
147.04585	0.3
149.04935	0.2
149.06090	1.3
151.00327	0.2
151.04015	0.4
155.10808	1.1
161.04593	0.5
167.10863	0.5
169.01457	0.4
169.05075	0.2
177.01956	0.3
199.09763	0.4
203.64906	0.2
207.10365	0.7
220.69901	0.2
225.11385	0.5
241.46086	0.2
257.08234	0.3
257.21445	0.4
275.46542	0.2
285.04102	0.3
295.06601	0.2
303.21622	0.3
357.18665	0.2
368.86835	0.2
396.99152	0.2
400.24225	0.4
428.92111	0.2
460.33292	2.7
461.20172	0.9
461.25958	0.3
475.38846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44527	0.2
55.01871	0.4
57.03437	0.9
59.01379	6.4
59.27242	0.2
61.98831	0.7
63.02398	0.7
64.07291	0.2
65.00329	0.3
67.01878	0.4
69.57203	2.0
71.01383	6.7
71.47592	0.2
72.99305	1.0
73.02953	0.5
75.00880	2.4
83.01395	0.8
84.02182	0.3
85.02956	8.8
87.00883	2.3
89.02455	1.0
91.01886	0.5
93.03469	4.1
95.01400	2.4
98.02663	0.2
99.00891	3.8
101.02469	0.4
103.00397	1.8
107.01406	1.7
109.02988	1.0
111.00883	0.9
111.04575	0.3
113.02465	12.9
114.02786	0.4
115.00404	0.9
117.01962	0.8
117.03455	0.3
119.01402	0.3
119.05035	0.4
121.02953	0.4
123.00912	0.4
125.02424	0.3
129.01942	0.7
130.04260	0.5
131.05061	0.4
134.03787	0.7
135.00905	0.9
135.04553	2.3
137.02454	0.8
139.00337	0.4
141.07097	0.3
143.05038	1.7
145.02971	0.3
145.06628	0.4
147.04559	0.3
149.06157	0.4
151.00363	1.7
153.01965	0.5
154.04266	0.3
155.05115	0.4
157.01482	0.3
157.06641	1.1
158.03775	0.3
159.04517	1.9
161.02563	0.2
163.00385	2.1
164.01154	0.2
165.01903	0.5
167.05052	0.8
168.05855	0.3
169.01469	0.4
169.06604	1.4
171.04526	0.9
173.00941	0.5
173.02380	0.3
173.04578	0.7
173.05981	0.4
175.02496	3.5
179.03583	0.7
183.04492	0.5
184.05324	0.3
185.06113	2.6
186.06288	0.3
187.04016	4.0
189.05627	1.4
191.05571	1.4
195.04491	0.7
196.05296	0.3
197.06149	1.0
199.04024	0.7
201.05544	0.7
207.10258	0.3
211.04012	2.1
212.04779	0.4
213.05580	2.2
214.02692	0.5
215.03558	0.5
227.03502	2.7
227.12900	0.4
229.05070	12.1
230.05374	0.5
239.03447	1.1
240.04182	0.8
241.01480	0.3
241.05000	1.8
245.00659	0.3
255.02986	1.3
256.03763	0.7
257.04553	7.0
258.04886	0.4
267.02856	1.0
270.01822	0.3
271.02295	0.3
281.06491	1.2
284.03375	0.6
285.04041	100.0
286.04379	5.9
287.15121	0.6
417.12021	0.3
461.07095	5.5
461.20108	4.2
461.26022	0.4
462.07446	0.4
462.20956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.5
57.03447	1.1
58.00605	0.2
59.01378	7.5
60.01734	0.2
61.98833	2.3
63.02397	0.9
65.00363	0.4
67.01890	0.7
68.99837	0.3
69.03502	0.1
69.39903	1.7
71.01386	7.1
72.99307	1.3
73.02984	0.6
75.00878	2.2
79.01945	0.3
81.03500	0.1
83.01390	0.9
83.05061	0.2
84.02242	0.2
85.02958	9.8
87.00883	2.2
89.02464	1.5
91.01949	0.3
93.03464	5.2
94.03812	0.2
95.01401	2.9
99.00886	3.7
99.04559	0.2
101.02483	0.7
103.00391	1.7
103.00932	0.2
106.48280	0.2
107.01408	2.3
107.02002	0.2
108.02241	0.3
109.02961	1.3
111.00894	1.4
111.04591	0.4
113.02464	15.2
114.02850	0.4
115.00379	0.9
117.01932	1.2
117.03532	0.5
119.01411	0.4
119.05096	0.5
121.02994	0.2
123.00940	0.4
125.02502	0.5
126.02819	0.1
129.01962	1.0
129.03580	0.2
130.04288	0.2
131.05064	0.5
133.02966	0.4
134.03798	0.4
135.00891	1.4
135.04533	2.7
135.50250	0.1
136.04976	0.3
137.02454	1.0
139.00418	0.3
141.07181	0.3
143.05048	1.4
144.05408	0.1
145.03033	0.6
145.06654	0.2
148.01715	0.2
149.06126	0.3
151.00381	1.8
151.01495	0.2
153.02002	0.6
153.56737	0.2
154.04318	0.5
155.03648	0.2
155.05046	0.4
156.05855	0.3
157.01523	0.4
157.02960	0.2
157.06583	1.2
158.03835	0.4
159.04538	2.1
161.02538	0.3
161.04581	0.3
163.00380	2.5
163.01630	0.2
163.04048	0.2
164.01186	0.2
165.01959	0.5
165.11819	0.2
167.05064	0.6
168.00624	0.2
168.05672	0.1
169.01447	0.4
169.06618	1.0
171.04549	1.0
171.07951	0.2
173.00969	0.5
173.02368	0.3
173.04590	1.1
173.05997	0.4
174.03253	0.2
175.02512	3.3
175.03850	0.2
177.12910	0.1
179.03554	0.5
182.03706	0.2
183.04547	0.6
184.05313	0.1
185.02681	0.2
185.06102	3.2
186.03339	0.2
187.04016	4.4
189.05598	1.7
191.05620	3.3
195.04546	0.9
196.05237	0.4
197.06119	1.2
198.03351	0.3
199.04007	1.0
201.05545	1.0
211.04001	2.0
212.04709	0.5
213.05582	2.4
214.02715	0.7
214.05937	0.2
215.03496	0.6
223.04108	0.2
225.11426	0.2
225.14725	0.2
227.03519	3.2
227.05664	0.2
227.13004	0.4
228.03883	0.3
229.05064	12.3
230.05397	0.9
230.77876	0.2
239.03506	1.6
239.12856	0.3
240.04240	1.0
241.01492	0.7
241.05013	1.7
242.02194	0.3
243.03072	0.6
245.00797	0.4
255.02985	1.2
256.03723	1.2
257.04547	6.7
258.01883	0.2
258.04965	0.5
263.12982	0.3
267.03000	1.0
270.01633	0.9
271.02429	0.6
281.06650	1.4
284.03290	0.4
285.04037	100.0
286.04385	9.2
286.07645	0.3
287.14963	0.7
298.01215	0.6
299.01917	0.8
313.13000	0.1
399.13016	0.2
417.12000	0.3
461.07083	7.3
461.20071	6.6
462.07373	0.9
462.20441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.3
57.03425	0.4
58.00566	0.3
59.01378	5.3
61.98831	0.8
65.00298	0.3
69.03431	0.2
69.61770	0.2
69.62178	0.9
71.01387	4.9
72.01711	0.1
72.99317	0.6
73.02953	1.7
75.00870	0.9
75.02391	0.3
81.03432	0.2
83.01402	0.8
83.16246	0.1
85.02956	2.2
85.69714	0.1
86.00070	0.2
87.00876	1.0
87.04499	0.4
89.02448	2.1
91.01904	7.2
92.02685	0.3
93.03468	6.5
94.03791	0.2
95.01396	0.7
96.95994	0.3
97.02942	0.3
99.00883	0.4
99.04480	0.1
99.29809	0.1
101.02458	6.3
102.02765	0.1
103.04021	0.7
107.01335	0.2
107.05044	1.3
108.02180	0.5
109.02948	0.4
113.02470	2.9
115.00368	0.2
115.04019	0.3
118.06532	0.1
119.01405	3.2
119.03496	0.7
120.99657	0.1
121.02973	9.8
122.03294	0.3
123.00926	0.3
123.04523	0.4
125.02463	3.0
126.02771	0.1
127.04025	0.1
131.03508	0.9
131.05020	0.2
131.50584	0.1
133.02962	0.5
136.01675	0.7
137.02467	8.4
138.02759	0.3
143.03519	2.3
145.05101	0.2
145.08723	0.1
149.02478	0.5
149.04579	0.1
151.04025	100.0
152.01132	0.2
152.04370	4.1
153.01935	0.3
159.02971	0.2
160.04222	0.1
161.04578	3.3
162.03171	0.1
162.04942	0.1
163.04178	0.1
163.06104	0.3
165.05571	0.1
165.09215	0.5
166.02754	0.1
167.03534	0.5
168.00670	0.4
169.01448	2.9
170.01801	0.2
175.04013	0.3
179.03534	0.4
181.05063	0.3
203.05666	0.1
205.07167	2.4
205.08983	0.2
209.04723	0.2
211.02409	0.1
215.10422	0.1
253.12657	0.1
265.05521	0.2
281.06665	1.4
281.09082	0.1
282.06909	0.1
284.77777	0.1
293.08746	0.1
299.07739	1.3
307.10495	0.5
307.14157	0.4
313.05908	0.2
313.09433	0.3
327.14536	0.4
353.08920	0.2
399.03680	0.2
409.11746	0.1
427.12567	0.9
444.15378	0.1
459.15460	5.8
459.27872	0.5
460.15933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3116
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
57.03446	4.0
59.01363	1.7
61.98815	1.7
71.71382	0.7
106.52990	0.5
123.09144	0.5
125.06084	1.1
129.57864	0.6
152.99544	0.6
161.83012	0.6
247.09698	0.6
277.10818	0.7
327.26868	0.6
331.15619	0.8
349.21640	1.1
355.29932	2.4
365.24692	1.7
378.53833	0.5
380.27145	0.6
381.28040	7.8
382.28067	0.9
395.29453	1.1
397.31128	27.2
398.31412	4.0
415.32132	12.4
416.32349	1.3
440.10153	0.5
441.30154	6.4
442.30334	0.9
459.31003	100.0
460.31348	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	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
71.01390	0.5
71.71281	0.2
71.71666	0.3
73.02952	41.2
74.03261	0.7
75.02511	0.3
85.02997	0.3
85.12957	0.2
88.53901	0.2
99.00895	4.4
99.92571	0.3
116.92890	4.6
117.01957	100.0
118.02336	1.7
125.02473	0.3
133.01457	0.3
133.55977	0.2
230.50121	0.3
257.86517	0.3
271.04697	0.5
279.10934	0.3
308.62909	0.3
312.66956	0.3
336.74359	0.3
416.90500	0.3
459.11417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
61.98830	28.8
70.35303	1.3
71.01383	1.8
73.02952	40.3
74.03293	0.7
75.00877	0.4
78.95930	0.4
85.02983	0.6
87.00903	0.3
89.02464	2.0
92.95988	0.6
96.96984	0.4
99.00892	5.4
99.92590	0.4
101.02500	0.7
103.03992	1.4
109.02985	0.4
113.02473	0.7
116.92876	9.3
117.01954	100.0
118.02292	1.6
119.03466	0.3
121.86754	0.3
125.02483	0.6
125.06151	0.4
133.05040	0.7
135.59073	0.3
153.01910	0.4
154.45929	0.3
169.01469	0.8
169.36493	0.3
172.20956	0.3
179.05646	0.3
259.87167	0.3
273.03284	0.3
283.10336	1.5
295.10410	0.8
300.99387	0.3
341.10825	0.7
399.15262	0.3
423.09305	0.4
459.11581	0.4
459.17554	0.4
459.27740	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	459.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00628	0.2
59.01382	3.4
60.99312	1.1
61.98832	5.0
69.03455	0.2
70.61983	0.1
71.01389	1.1
71.73386	0.2
71.73783	0.2
72.99329	0.2
73.02950	0.4
75.00906	0.1
77.01701	0.1
79.63243	0.1
81.03461	0.4
83.01405	0.3
85.02949	0.5
87.00883	0.2
88.98817	8.0
89.02447	1.7
89.03983	1.8
93.03474	1.9
95.01437	0.2
95.05068	0.3
97.02961	0.3
101.02465	0.9
101.56206	0.2
102.98588	0.3
104.02705	0.4
105.03485	3.0
107.01431	0.3
109.03007	0.2
111.00859	0.3
113.02460	0.6
119.03493	0.2
121.02998	0.3
123.00899	1.8
124.01653	0.3
125.02464	2.1
125.06099	0.3
127.67849	0.2
133.02977	8.2
134.03334	0.4
135.04509	0.2
137.02473	3.3
139.00366	0.5
140.01190	0.3
148.01689	2.3
149.02492	1.2
149.99770	0.2
151.00418	1.0
161.04546	0.4
168.00630	1.0
169.01434	2.2
176.01164	4.5
177.01947	100.0
178.02286	3.6
179.05658	0.3
191.03479	0.2
205.05023	0.4
223.13420	0.2
233.04564	0.7
263.05511	0.2
267.12302	0.3
271.04691	0.3
281.06775	0.3
321.29135	0.2
339.07217	1.6
346.11197	0.2
369.15353	0.2
371.72781	0.2
399.20334	0.3
432.86444	0.2
459.09302	14.9
459.18741	8.8
459.27267	0.6
460.09604	1.8
460.19177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
59.01374	7.1
61.98830	28.3
65.00308	0.5
67.01916	0.9
68.99831	0.5
69.03455	1.5
71.01384	8.7
71.01757	0.7
71.68276	0.7
72.99301	1.3
73.02947	2.3
75.00889	1.4
79.01895	0.9
81.03485	0.9
82.03787	0.5
83.01392	1.3
83.05058	0.6
85.02961	8.3
87.00901	1.0
89.02467	2.7
93.03467	0.8
95.01395	3.1
96.95998	0.8
97.02978	3.0
99.00904	0.8
99.39396	0.4
99.92584	0.7
101.02462	3.6
105.02020	0.5
107.01392	6.3
107.05063	0.5
109.02961	2.0
111.00912	3.4
111.04544	0.8
113.02463	3.7
116.92881	5.7
117.03501	0.7
117.05599	1.4
119.03519	1.0
119.05038	1.1
121.02967	1.1
123.00897	11.8
123.04482	0.5
124.01743	1.7
125.02464	45.9
125.06075	1.0
126.02798	1.5
127.00392	0.8
127.04006	1.1
129.02092	0.5
133.02980	2.0
135.04544	1.4
136.98816	1.3
137.02484	1.2
137.91313	0.5
138.03259	0.6
139.00407	3.8
139.04027	0.6
140.01187	3.0
141.01964	1.4
143.03546	0.8
145.02989	2.6
147.04567	1.0
149.02498	0.7
151.00406	7.6
151.04036	1.2
152.01083	0.6
153.01909	1.1
161.02484	5.5
163.00366	0.5
163.03986	1.7
164.01192	0.6
165.01968	1.5
166.05165	0.6
166.99883	1.1
167.03519	1.5
168.00667	10.3
169.01443	64.8
170.01752	2.2
173.02464	1.2
174.01707	0.5
175.03987	1.1
177.01952	1.0
179.03505	1.5
179.05499	0.6
181.04958	0.5
189.01961	1.1
190.02687	0.6
191.03557	1.3
193.01436	1.0
201.02046	1.3
203.03563	0.9
205.01361	0.7
205.04994	0.6
211.02483	42.2
212.02817	1.8
214.99736	0.5
217.01323	0.5
229.01353	1.1
238.01106	1.0
241.03427	2.6
245.00838	1.4
247.02452	1.2
249.03922	0.9
257.00919	0.6
258.02051	0.6
261.00354	0.4
265.13065	0.5
271.04565	100.0
272.04922	5.2
273.00226	0.7
275.01941	1.8
277.10837	0.8
277.81448	0.5
299.99115	0.7
300.99832	5.2
301.99805	0.6
313.05637	9.7
314.06036	1.5
331.06705	21.7
332.07013	1.6
369.07953	0.6
371.33121	0.5
399.09323	32.6
400.09537	2.3
407.03409	1.3
423.09320	2.9
424.03873	0.8
429.02716	0.9
437.02353	1.3
438.03027	0.8
441.10416	4.5
451.01898	1.0
459.11093	5.1
459.15613	3.2
459.27655	5.0
460.15619	0.5
460.27628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40676	0.5
57.03425	1.1
59.01364	1.9
59.56631	0.5
61.98815	1.9
69.03465	0.4
69.43446	5.3
70.00076	0.5
71.05016	0.6
77.74834	0.4
98.37004	0.4
163.11324	2.9
260.80527	0.4
281.11765	1.4
316.40283	0.4
372.01071	0.5
381.27966	5.2
383.29510	4.0
397.31152	6.5
398.31689	0.8
411.32779	0.6
413.34326	6.5
457.33136	100.0
458.23944	0.9
458.26883	0.8
458.33487	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3687
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
54.98964	0.3
57.03452	0.4
59.01389	0.4
60.68859	0.3
61.98834	2.0
68.24999	0.2
69.77699	0.6
69.78114	1.2
71.01394	0.3
88.35155	0.3
89.02457	9.9
91.67813	0.2
98.20587	0.5
124.70231	0.2
188.41498	0.3
195.97508	0.3
195.99335	0.3
200.31491	0.3
203.20836	0.3
267.26895	0.3
366.78714	0.3
369.30307	0.5
397.31091	0.3
439.33133	0.3
457.37021	100.0
458.37350	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	458.188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62883	0.2
59.01381	2.2
61.98832	100.0
71.01377	1.0
71.73777	0.3
72.99322	0.2
73.02949	0.3
85.02972	0.3
88.98833	0.4
89.02461	0.5
89.03990	0.4
93.03480	0.9
99.45869	0.2
101.02456	0.6
105.03472	0.8
109.02969	0.6
113.02457	0.4
118.07256	0.2
121.49195	0.2
123.00842	0.2
123.04488	0.2
125.02467	0.8
125.06076	0.2
133.02966	2.5
137.02463	1.2
145.08661	0.2
147.04428	0.2
148.01666	1.4
149.02457	0.5
153.01955	0.9
155.10770	0.2
159.15326	0.2
168.00703	0.4
169.01450	0.5
176.01166	3.1
177.01944	29.9
223.13309	0.5
275.01904	0.2
307.14063	0.2
339.07108	0.5
399.20242	0.5
420.40588	0.2
458.17395	0.7
459.09351	6.4
459.14935	0.5
459.18732	1.1
459.27002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3323
Annotation	Platanic acid
Peak:m/z	Relative Intensity
51.63654	0.2
57.03442	0.4
59.01378	0.8
61.98817	0.5
68.34461	0.2
69.03459	2.2
70.38776	0.2
71.05001	0.5
125.06108	0.4
172.24091	0.2
198.48061	0.2
228.87566	0.2
229.56999	0.2
339.23480	0.3
367.26376	0.2
379.30078	0.2
381.28015	1.5
382.28366	0.3
383.22443	0.4
397.31100	6.8
398.31540	0.8
411.32730	0.3
413.34311	16.5
414.34641	2.5
439.32202	3.1
440.33087	0.2
441.30103	0.4
457.33234	100.0
458.33615	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	457.3323
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
54.73592	0.1
57.03444	1.4
59.01369	0.2
61.98812	0.2
69.03465	1.1
79.79135	0.1
88.98364	0.1
89.02467	0.2
90.02281	0.1
128.96863	0.1
189.77515	0.1
193.38689	0.1
197.02069	0.1
353.28513	0.2
382.87781	0.1
395.29382	0.2
397.31085	0.2
411.32944	0.2
413.34369	2.9
414.34589	0.5
439.32376	0.3
457.33231	100.0
458.33582	15.2
468.15683	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77522	0.5
57.03445	1.1
58.00580	1.1
59.01380	3.8
60.99313	0.7
61.98827	5.6
71.01392	1.0
71.05016	3.1
85.06602	0.6
87.00922	0.7
97.06612	3.8
97.34901	0.6
102.17257	0.6
103.31382	0.6
111.08173	2.5
116.92876	0.6
121.06606	1.1
122.96021	0.6
123.08193	1.9
135.08255	0.7
163.11313	0.7
189.12831	9.0
190.41431	0.6
191.14410	16.2
192.14684	1.3
205.12328	0.7
214.73311	0.7
214.82663	0.6
265.18076	2.2
271.16946	0.9
273.18594	1.5
285.60229	0.6
289.18835	0.8
289.21689	3.5
293.21274	1.2
339.23502	1.0
345.24249	1.0
355.26620	1.2
383.22159	1.7
383.26428	0.8
406.28748	2.1
407.29636	0.7
413.34839	1.1
421.31287	3.0
423.32959	3.0
424.32928	0.8
437.30908	1.7
439.32162	18.1
440.32678	2.3
457.33316	100.0
458.27274	0.9
458.33640	17.6
467.31735	4.3
468.32352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59191	0.3
53.76006	0.3
55.01876	0.8
56.62078	0.3
57.03454	0.9
58.00625	0.4
59.01382	100.0
60.01726	0.8
61.98830	4.8
68.64030	0.3
69.03461	0.3
69.57883	2.3
71.01389	13.9
72.99319	0.4
73.02955	3.5
74.99141	0.3
75.00886	0.4
78.40131	0.3
79.28412	0.3
80.91677	0.5
83.01400	1.5
83.05043	0.3
85.02958	5.3
85.03434	0.4
87.00916	0.8
89.02452	4.3
93.03465	0.3
95.01423	0.7
98.20627	0.5
99.00878	1.9
101.02467	9.1
102.02830	0.3
109.02979	0.7
109.06587	0.3
111.01020	0.3
113.02476	6.7
113.03230	0.5
119.03501	1.6
123.00901	0.5
123.04575	1.0
125.02473	1.6
137.02490	0.3
143.03569	0.9
147.04559	0.4
148.03558	0.5
152.01237	0.5
153.09317	0.4
159.03053	1.3
161.04579	16.3
162.05034	0.4
163.05898	6.5
163.07426	0.5
164.06174	0.3
169.01416	0.4
179.05661	1.0
201.01926	0.4
205.03600	0.6
207.04871	5.8
217.12540	0.6
235.17160	0.5
249.06139	0.4
259.96304	0.3
275.02182	0.3
293.20016	0.3
397.22391	8.6
398.22794	0.6
457.16736	1.7
457.24420	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	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03443	0.6
58.00575	0.3
59.01378	100.0
60.01709	1.0
61.95596	0.2
61.98830	3.8
66.28990	0.3
66.87843	0.3
71.01385	10.2
72.01711	0.3
72.99326	0.6
73.02964	1.6
78.95925	0.9
83.01409	0.7
85.02946	3.6
87.00916	0.5
88.98822	0.7
89.02451	9.4
89.02988	0.5
90.02784	0.3
95.01433	0.9
96.96040	0.2
99.00912	1.2
101.02451	7.1
101.03082	0.5
103.63789	0.3
113.02458	4.6
113.98663	0.3
119.03516	4.2
125.02467	2.3
125.06085	0.3
131.03549	0.4
137.02414	0.3
143.03522	1.1
145.02934	0.4
149.04614	0.3
159.03020	0.7
161.04576	8.5
163.07809	0.3
179.05623	3.5
211.13371	0.3
217.16164	0.4
229.28683	0.3
295.12048	0.8
397.18018	0.4
397.22455	4.2
398.22882	0.6
457.17780	0.7
457.24966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	1.1
59.01381	18.2
61.98831	2.4
64.66447	0.3
67.01901	0.9
68.99794	0.4
69.78302	2.0
69.78715	0.5
71.01385	11.1
72.99299	1.2
73.02943	0.9
74.58671	0.3
79.01884	1.0
83.01382	1.6
85.02931	2.3
86.58178	0.3
87.00881	0.7
88.16172	0.3
89.02455	13.2
90.08042	0.3
95.01398	2.2
98.19847	0.5
99.00880	0.6
101.02460	8.9
107.01385	2.9
111.00862	1.5
113.02470	4.3
117.03465	2.1
119.03526	5.8
119.05003	1.5
123.00904	12.0
123.04550	0.4
124.01643	1.0
125.02468	14.5
125.06094	4.6
126.02789	0.6
127.00407	0.5
131.03528	0.4
135.04559	0.4
136.98790	0.8
139.00378	3.2
140.01236	2.1
141.01926	1.5
143.07172	2.6
145.01857	0.5
145.02974	8.9
151.00394	7.2
153.01945	0.5
161.02361	0.4
163.04030	2.3
168.00652	2.7
169.01448	15.9
170.01756	0.4
205.05055	0.4
211.02490	3.2
271.04605	2.1
305.12430	26.0
306.12769	1.7
311.09637	0.6
394.17630	0.5
413.14383	0.5
418.73193	0.5
439.12433	5.6
440.12781	0.5
457.13367	100.0
458.13629	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	457.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03534	0.6
55.01867	0.7
55.99283	0.7
57.03437	0.9
58.00590	1.1
59.01379	25.2
61.98831	7.3
64.61290	0.6
67.01875	1.5
69.03436	2.0
71.01389	17.9
71.67097	1.0
72.99319	3.1
73.02924	2.9
75.00862	2.0
77.17947	0.7
78.69962	0.6
79.01904	0.7
79.95728	3.2
83.01395	1.7
85.02953	6.0
87.00892	1.4
88.98754	0.7
89.02453	15.2
93.03448	1.4
95.01417	3.4
95.95229	0.8
96.96034	5.3
97.02927	1.8
97.06607	0.8
99.00914	0.7
99.32173	0.8
101.02455	13.6
107.01380	3.3
108.02162	1.7
109.02903	2.4
109.06533	0.7
111.00872	3.7
113.02469	7.4
114.02797	0.6
117.03490	7.2
117.05503	0.7
119.03558	5.9
119.05038	11.1
120.99628	1.8
121.02927	1.2
123.00912	17.5
123.04498	1.6
124.01622	2.6
125.02468	26.8
125.06093	6.0
126.02769	1.0
131.03441	1.2
135.04530	1.1
136.98804	1.4
137.02478	3.4
139.00348	4.5
139.03972	1.2
140.01091	2.5
141.01955	1.5
143.03461	0.7
143.07193	3.0
145.02969	29.7
146.03265	1.9
149.02414	1.3
149.99548	1.0
150.03214	1.1
150.99377	0.8
151.00383	9.2
152.01093	1.4
153.01860	1.5
159.04486	0.6
161.02495	3.2
161.04549	1.0
161.06007	1.7
163.02736	0.7
163.04027	12.8
164.04469	0.9
165.01900	1.5
165.05516	2.6
166.05000	0.9
166.91019	0.6
167.00140	1.6
167.03487	4.1
168.00681	5.3
169.01448	35.2
170.01720	0.9
173.04533	0.8
175.03943	1.0
177.05504	1.5
179.03426	2.8
179.05560	0.8
179.10728	1.2
180.04167	0.6
181.01657	1.3
193.01387	1.1
195.06593	1.2
203.03433	0.6
205.04993	1.4
205.12271	1.2
209.04517	1.0
211.02473	5.4
240.13249	0.8
248.50139	0.7
251.05643	0.8
265.07147	1.0
271.04568	3.6
275.01892	1.5
277.07010	1.3
286.06934	0.7
300.99960	0.9
305.06961	4.9
305.12421	23.0
306.12564	1.5
311.07120	3.2
313.05478	0.8
327.35779	0.8
397.11227	1.0
403.99640	0.6
413.00784	0.7
413.14505	0.8
439.12561	6.6
440.12451	0.8
457.13092	100.0
458.13263	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	456.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87832	0.2
55.72771	0.2
58.88580	0.1
59.01377	1.4
61.98832	100.0
62.53608	0.1
69.74393	1.1
71.01398	0.3
73.02956	0.4
89.02464	0.5
101.02474	0.3
104.65157	0.1
113.02435	0.2
125.02471	0.3
125.69503	0.2
131.03555	0.2
145.03114	0.1
151.00380	0.2
169.01508	0.2
228.74030	0.2
240.12206	0.1
243.12483	0.3
271.04572	0.2
381.78650	0.1
393.17810	0.4
456.12051	0.2
457.17633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48767	0.2
59.01377	1.3
60.01715	0.2
61.98833	100.0
62.98523	0.2
67.65577	0.1
70.20415	0.7
71.01388	0.8
73.02981	0.2
83.18454	0.2
85.02979	0.2
87.00897	0.2
89.02465	0.6
91.02917	0.2
93.03510	0.2
94.30614	0.2
98.31007	0.1
101.02468	0.4
102.02811	0.2
102.59936	0.1
108.16748	0.1
111.00916	0.2
113.02488	0.3
113.24957	0.1
123.00925	0.3
125.02464	0.8
131.03566	0.3
135.04526	0.2
137.02477	0.1
151.00433	0.2
163.04019	0.2
168.00708	0.5
169.01445	0.5
189.44383	0.1
209.11728	0.2
210.12198	0.4
263.15073	0.3
264.15378	0.5
396.19095	0.4
456.16928	0.5
457.13705	0.8
457.18668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60082	0.9
55.01865	1.7
59.01384	12.8
61.98835	20.2
65.00306	0.9
67.01882	0.9
69.03416	1.0
71.01386	12.4
71.05003	1.2
71.72223	1.1
72.99303	1.4
73.02953	5.7
75.00871	3.9
78.95925	1.4
81.03481	1.1
83.01379	3.5
85.02950	6.9
87.00861	2.2
87.98856	1.0
88.04042	2.7
88.98817	12.9
89.02454	11.2
93.03453	3.1
95.01390	7.3
96.96012	4.0
96.96968	4.2
97.02959	2.0
99.00872	1.9
99.04491	1.4
99.92605	2.4
101.02455	9.9
105.03477	1.4
107.01409	2.8
107.05025	1.2
108.02188	8.0
109.02991	7.9
111.00864	2.6
112.04035	1.2
113.02459	6.1
115.05511	1.1
116.92883	14.7
117.03469	3.1
117.05606	7.5
117.92858	1.5
118.05076	1.1
119.03484	1.6
119.05028	5.9
121.02940	2.3
123.00908	12.5
123.04529	2.2
124.01665	2.7
125.02467	20.1
125.06081	1.2
129.03473	1.8
129.23491	1.0
130.05084	1.7
131.03485	1.4
132.02190	1.5
133.02992	4.5
133.06583	2.2
135.04521	2.4
136.99129	1.0
137.02437	2.8
139.00375	2.4
139.03996	1.7
140.98985	0.9
143.03549	1.4
145.02971	13.3
146.03648	0.9
147.00902	1.5
147.04613	6.5
147.06612	3.3
149.02454	3.2
149.06226	0.9
151.00381	2.3
151.04005	2.0
152.01181	10.7
153.01964	9.9
157.02939	3.8
157.05072	0.9
157.06580	1.0
158.03621	1.2
159.04517	3.4
161.02481	8.4
161.04549	4.7
162.03218	1.8
163.00363	3.8
163.04063	8.9
164.01146	1.1
164.04726	1.8
165.01953	2.7
166.99869	2.5
168.00681	1.1
169.01451	16.2
172.01740	1.5
173.02448	11.6
174.03098	3.1
175.00383	0.9
175.04025	8.4
176.01163	1.4
177.01930	4.7
179.03496	2.1
179.05655	1.0
185.02478	6.9
186.03235	1.8
186.24329	1.0
187.00414	1.2
187.03961	2.2
188.01060	1.4
189.01964	7.7
190.02748	5.0
190.99838	3.2
191.03537	9.2
191.05226	1.2
191.07231	1.3
192.00668	1.5
193.01427	3.0
199.03944	1.1
200.01135	2.0
201.01929	12.2
202.02567	2.5
203.03528	12.2
204.00401	1.2
205.01395	2.3
205.05035	2.2
206.02060	1.9
207.02980	2.0
207.06570	3.8
209.06219	1.2
210.00697	1.7
211.55597	0.9
213.01944	3.2
214.02629	3.2
214.99918	1.6
216.00531	2.4
217.01460	7.8
218.02109	2.0
219.02902	3.2
222.01709	1.2
228.00629	2.2
229.01437	24.3
229.04919	1.0
230.01962	4.8
231.03027	10.7
233.00856	2.6
233.08304	1.2
237.05492	1.2
241.01320	1.3
242.99352	1.5
243.02940	2.5
244.00024	2.2
245.00938	13.8
246.01382	1.8
247.02348	4.9
248.03188	9.5
249.04016	24.0
250.04350	3.2
251.09184	3.9
257.00928	19.3
258.01602	9.6
259.02374	2.2
263.03488	1.2
265.04935	1.1
265.12921	15.4
267.10840	2.6
270.01660	1.2
270.98920	6.0
271.04715	1.6
271.99466	1.8
273.00412	15.4
274.01120	10.6
275.01968	90.9
276.02286	8.5
279.03024	2.4
279.11057	1.4
281.00882	1.2
281.04364	1.6
281.12430	2.4
283.99631	4.6
285.00446	3.4
290.00854	1.4
291.01892	1.3
292.03687	2.1
293.04492	1.4
295.08142	2.1
296.02832	1.2
297.00339	1.3
298.01212	1.2
298.98291	6.5
299.99146	16.7
300.99908	100.0
302.00259	13.0
305.06662	3.2
309.04050	1.3
312.99899	6.6
314.00659	17.5
315.01337	3.1
315.07092	4.2
319.00992	2.8
322.01224	2.0
324.99783	2.3
334.95456	1.0
335.01810	2.4
336.02515	1.5
337.03476	2.0
338.00244	1.0
339.01370	1.7
340.99182	4.7
341.02908	1.3
342.00064	3.7
343.00574	2.2
347.01816	2.2
349.03311	1.9
350.00504	1.2
351.01355	1.1
352.02139	1.4
353.03156	1.0
363.00952	1.5
365.02982	2.5
366.00125	1.0
367.00876	1.3
375.01547	1.1
377.03354	1.8
380.01776	1.0
381.02347	2.2
390.02972	1.2
393.02524	3.7
397.17200	10.4
403.01129	1.5
405.99796	2.1
407.00024	3.0
408.01749	1.1
409.02017	1.3
412.02551	2.2
413.53320	1.1
419.00464	2.1
420.01437	1.9
421.03125	8.9
421.20724	1.3
422.02356	1.5
428.11786	3.4
429.02615	1.0
435.02802	2.8
437.01239	2.5
438.02167	2.1
439.02841	1.5
439.13132	0.9
446.99969	2.6
449.01563	3.9
456.52505	1.2
457.02213	35.0
457.16971	3.7
457.25226	2.0
457.52487	11.8
458.02484	3.5
458.12958	17.1
465.01215	5.1
466.01718	1.7
467.02579	38.6
468.02869	8.0
469.03635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98833	1.1
68.68603	0.3
72.20201	0.3
78.95921	0.5
82.76601	0.3
125.40148	0.3
144.71506	0.3
302.16675	0.3
455.35397	100.0
456.35812	12.3
456.42203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64480	0.1
60.03225	0.1
64.68425	0.1
70.43796	0.6
101.37829	0.2
123.39375	0.1
126.06159	0.1
167.04356	0.1
332.22076	0.2
392.17432	0.2
407.33099	1.0
455.35278	100.0
456.35623	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	455.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09105	0.2
51.34930	0.2
70.00760	0.2
70.53723	0.7
89.49636	0.2
106.89350	0.2
113.52886	0.2
117.63084	0.2
148.62338	0.2
160.81474	0.2
190.44882	0.2
219.14653	0.2
238.25224	0.2
318.77731	0.2
348.73651	0.2
368.59113	0.2
427.65704	0.2
455.35263	100.0
456.35605	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	455.3531
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.27567	0.2
57.03445	0.2
59.01374	0.9
61.70592	0.2
61.98829	0.4
70.50688	0.2
70.51015	1.0
87.00883	0.2
154.94351	0.2
191.63551	0.2
276.13455	0.3
291.09418	0.2
333.09500	0.3
351.32806	1.3
369.30191	0.3
455.35291	100.0
456.35629	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	455.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.62178	0.7
57.03445	2.6
58.00573	1.4
59.01381	84.6
60.01728	0.9
61.98833	22.4
69.57632	7.2
70.96977	0.7
71.01387	24.8
72.99294	1.7
73.02953	13.3
75.00857	0.8
83.01394	7.5
85.02486	1.5
85.02962	17.5
85.03442	1.5
87.00925	0.9
89.02460	3.5
91.88793	0.9
95.01401	1.7
97.02963	1.0
99.00891	5.7
101.02458	39.4
105.94466	0.8
108.02193	3.6
109.02962	2.8
111.00961	0.8
113.02461	13.0
119.03460	0.8
119.04925	0.7
119.73095	0.8
122.39972	0.8
122.41029	0.7
125.02446	3.2
129.01912	1.3
131.03523	45.6
152.01143	3.9
153.01932	2.2
159.03040	2.5
161.04581	8.9
247.02335	1.0
263.14984	100.0
264.15356	3.7
271.04364	1.0
307.13754	0.9
395.19260	27.2
396.19482	1.8
455.14957	6.4
455.20718	2.2
456.16223	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3165
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
57.03453	2.2
59.01373	0.5
61.98812	1.5
69.03472	1.2
71.72346	0.3
71.72784	0.3
78.95902	0.7
91.76321	0.3
91.85811	0.3
104.05084	0.2
192.21135	0.3
218.54073	0.3
296.49844	0.3
377.28220	0.3
395.29364	0.4
411.32538	3.2
412.32736	0.5
441.95578	0.3
455.31427	100.0
456.31781	13.4
459.45410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3531
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
54.78710	0.1
57.03455	1.0
61.98804	0.2
63.18124	0.1
69.48289	1.0
71.01346	0.1
83.05022	0.2
88.96225	0.1
128.87793	0.1
157.86369	0.1
159.86040	0.2
172.77644	0.1
194.59029	0.1
267.27023	0.2
286.47256	0.1
288.56677	0.1
331.92709	0.1
383.10297	0.5
395.33298	0.2
437.33774	0.1
455.35281	100.0
456.35629	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	455.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	1.3
61.56845	0.4
61.98831	25.6
62.98538	0.6
63.99252	0.4
71.01383	5.2
71.69418	0.6
72.99323	0.5
73.02946	3.0
78.95921	0.5
83.01404	1.2
85.02962	2.9
87.00880	0.8
88.98840	0.4
89.02450	2.0
93.03474	0.7
95.01397	0.7
96.96018	0.6
99.00909	0.7
101.02457	5.4
108.02198	2.3
109.02967	2.5
111.00922	0.4
111.04508	0.4
113.02446	2.0
115.04045	0.6
117.05570	2.6
120.99665	0.6
123.00846	0.5
123.04528	0.7
125.02479	2.6
131.03563	0.5
135.04530	0.7
137.02486	1.4
139.04047	4.1
143.03421	0.5
145.03014	1.0
151.00420	0.6
152.01173	2.3
153.02063	1.9
159.03017	0.7
161.02481	0.8
161.04613	2.6
161.05801	0.4
168.00716	0.6
169.01462	2.1
188.11354	0.4
205.07146	2.5
223.08226	9.9
224.48820	0.4
244.02272	0.4
249.13516	0.5
251.11325	0.8
261.66513	0.3
263.14609	0.4
265.09256	15.2
266.09683	0.7
315.07407	1.0
363.13089	1.1
395.19037	0.8
408.70325	0.4
455.10858	3.4
455.16830	1.1
455.35245	0.9
456.09167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
57.03448	2.6
58.00599	1.4
58.36236	0.4
59.01378	100.0
60.01721	1.4
61.98834	5.0
63.58945	0.4
65.51424	0.5
67.01881	0.6
68.13455	0.5
69.03449	2.7
69.57539	3.8
69.57852	0.9
71.01385	39.2
72.99306	3.1
73.02950	12.5
73.03338	0.9
74.99081	0.5
75.00860	2.3
78.95892	1.1
79.90106	0.5
81.03473	1.6
83.01392	9.1
85.02957	17.3
85.06600	13.4
86.62668	0.5
87.00886	3.5
87.04536	0.6
88.98814	1.0
89.02451	22.7
90.02766	0.4
93.03465	4.0
95.01404	3.4
95.05011	0.6
96.96030	1.8
96.96947	1.1
97.02971	4.4
97.96947	0.5
99.00900	4.8
99.04500	1.1
100.01616	0.4
101.02456	31.9
101.06069	0.6
103.04032	4.4
107.01372	2.6
108.02190	3.9
109.02980	4.5
110.03254	0.4
111.00900	1.5
111.04527	1.3
113.02461	20.4
113.06085	3.9
114.02808	0.4
115.04015	3.8
116.92841	0.6
119.03516	11.1
121.02986	1.2
121.05080	15.7
123.00902	6.2
123.04496	0.6
124.00990	0.5
124.01694	5.5
125.02461	35.0
126.02798	1.2
127.04024	1.4
129.01912	0.7
129.05606	1.1
131.03467	0.6
133.05048	0.7
135.04498	0.6
136.99034	0.6
137.02417	2.0
139.00348	1.9
139.04016	7.9
140.01128	1.5
141.01984	2.3
142.02495	0.4
143.03505	3.2
144.72261	0.4
145.05066	7.5
147.04509	1.4
149.02406	0.8
149.04538	1.3
149.99597	6.9
151.00404	3.1
151.03944	0.9
152.01170	3.2
153.01932	2.6
157.05084	1.7
159.03015	1.1
159.10228	1.3
161.04585	7.5
161.05940	0.6
163.06125	7.0
164.07149	1.6
165.01907	0.8
167.03462	1.3
168.00655	14.7
169.01450	22.8
169.04761	0.7
170.01720	1.5
173.04684	0.9
177.01892	0.7
179.05598	2.0
187.06154	8.8
188.06458	0.6
189.07719	2.5
190.99855	0.5
191.05606	0.7
192.00688	0.8
199.06021	0.4
205.07130	1.2
207.02988	1.5
211.02504	2.4
231.02943	0.6
265.09256	78.6
265.40039	0.4
266.07147	0.6
266.09631	5.1
267.10736	0.8
271.04639	2.1
283.10342	28.8
284.10483	1.6
297.40683	0.5
300.99762	0.6
313.05591	5.0
314.06006	0.6
315.07156	1.0
325.11383	15.2
326.11603	1.1
331.06659	4.3
363.12534	0.6
400.78943	0.5
417.14050	7.2
418.14078	0.7
423.14813	1.2
438.13867	0.7
455.07672	32.4
455.34900	1.6
456.07904	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	455.1698
Annotation	Kushenol G
Peak:m/z	Relative Intensity
53.43666	0.8
54.91047	0.8
56.43387	0.8
57.03445	1.0
59.01379	10.0
61.98832	17.9
69.03472	5.5
69.52261	3.9
69.52692	4.3
71.01368	2.1
78.95911	37.7
80.93207	0.8
87.00900	1.1
87.04556	1.0
89.02452	1.0
96.95998	0.9
96.96988	4.1
99.00900	2.1
101.02485	1.5
109.02972	1.5
111.08171	2.0
125.02464	2.7
152.99609	48.0
165.12863	23.3
165.74271	0.9
171.00638	5.8
174.22577	0.8
179.05637	0.8
181.12288	1.1
183.13916	82.7
184.14270	3.4
185.00940	4.5
186.24086	1.0
209.06590	0.8
209.11870	2.2
227.03273	3.2
227.12894	26.4
245.04263	1.1
269.13736	1.7
346.94406	1.0
363.12122	2.5
381.12964	1.6
412.10385	1.4
437.15814	2.0
455.16852	100.0
455.35498	2.9
455.73300	1.0
456.17267	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	455.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	1.3
61.56845	0.4
61.98831	25.6
62.98538	0.6
63.99252	0.4
71.01383	5.2
71.69418	0.6
72.99323	0.5
73.02946	3.0
78.95921	0.5
83.01404	1.2
85.02962	2.9
87.00880	0.8
88.98840	0.4
89.02450	2.0
93.03474	0.7
95.01397	0.7
96.96018	0.6
99.00909	0.7
101.02457	5.4
108.02198	2.3
109.02967	2.5
111.00922	0.4
111.04508	0.4
113.02446	2.0
115.04045	0.6
117.05570	2.6
120.99665	0.6
123.00846	0.5
123.04528	0.7
125.02479	2.6
131.03563	0.5
135.04530	0.7
137.02486	1.4
139.04047	4.1
143.03421	0.5
145.03014	1.0
151.00420	0.6
152.01173	2.3
153.02063	1.9
159.03017	0.7
161.02481	0.8
161.04613	2.6
161.05801	0.4
168.00716	0.6
169.01462	2.1
188.11354	0.4
205.07146	2.5
223.08226	9.9
224.48820	0.4
244.02272	0.4
249.13516	0.5
251.11325	0.8
261.66513	0.3
263.14609	0.4
265.09256	15.2
266.09683	0.7
315.07407	1.0
363.13089	1.1
395.19037	0.8
408.70325	0.4
455.10858	3.4
455.16830	1.1
455.35245	0.9
456.09167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
58.23002	0.7
59.01382	10.7
61.98835	22.3
69.03440	0.8
71.01394	5.7
71.73798	1.0
71.74184	1.2
72.99329	1.1
73.02963	2.4
75.00874	1.2
78.95918	28.3
80.02685	2.5
81.03469	2.9
83.01392	2.4
83.05034	9.4
84.02168	2.2
85.02955	3.2
89.02476	1.9
95.05035	2.3
96.96983	2.7
97.02934	0.7
99.00874	1.2
101.02447	4.5
107.01410	1.0
108.02206	2.2
109.02977	2.4
113.02483	2.6
119.05077	1.1
119.57178	0.7
121.02954	0.8
123.00901	1.5
123.04581	1.5
125.02472	3.8
125.06063	1.3
135.04556	1.0
135.08214	1.4
137.02458	1.9
145.02963	2.9
145.05232	0.8
147.04550	18.2
150.97911	0.8
152.01164	2.5
152.99617	37.0
160.95734	4.7
161.04761	1.1
161.06117	3.0
163.04022	2.1
163.06149	1.7
163.11360	7.5
165.12874	3.6
169.01382	4.0
171.00652	3.2
173.25879	0.8
176.74712	0.7
181.12393	0.9
189.05647	0.9
191.10796	2.3
200.78128	0.7
209.11844	100.0
210.12263	4.7
227.03305	4.8
227.12868	10.9
245.04314	1.5
249.06786	4.4
263.14911	4.2
309.11932	2.1
363.12244	2.0
395.19199	6.0
396.19540	1.2
455.16876	95.9
456.17126	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	453.3374
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
59.01368	0.4
61.98830	0.4
68.89244	0.3
69.58842	0.3
90.28094	0.3
93.33034	0.3
94.24577	0.2
95.04257	0.3
95.04960	0.2
98.20631	0.6
113.06059	0.4
409.34598	0.8
410.34024	0.3
453.33737	100.0
454.34073	14.9
465.81534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88195	0.2
50.95552	0.2
59.01384	1.7
60.01719	0.3
60.25493	0.2
61.01751	0.3
61.98833	100.0
69.18654	0.2
69.43780	2.5
71.01389	0.7
81.03458	0.3
83.01421	0.2
85.02977	0.3
89.46081	0.2
101.02448	0.5
103.38854	0.2
108.02182	1.9
109.02987	1.2
109.05338	0.3
111.99595	0.5
113.02500	0.4
118.06696	0.3
120.99676	0.3
121.02988	0.5
121.05370	0.9
122.06150	0.4
123.00948	0.2
123.06984	0.4
125.02461	0.5
137.02443	0.2
139.06404	0.3
146.01826	0.2
146.06136	1.9
152.01164	2.1
153.01944	1.7
155.98576	0.5
159.04541	0.5
161.04601	0.4
169.01385	0.4
204.18507	0.2
206.11159	0.2
210.12453	0.2
212.10835	0.2
213.10353	0.5
227.08340	0.6
241.09834	1.9
242.10512	0.4
255.11420	0.9
267.11307	0.3
268.12244	0.4
269.12970	0.6
270.02060	0.2
285.12512	0.2
286.13208	1.0
300.11319	0.4
302.12759	0.5
318.12207	0.5
380.20068	0.3
392.19894	0.9
394.25034	0.4
399.60550	0.2
410.21353	0.6
423.09171	0.3
436.18790	0.5
454.05612	2.2
454.19873	11.5
455.14783	0.4
455.19946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3373
Annotation	Embelinone
Peak:m/z	Relative Intensity
51.17889	3.0
59.01368	7.4
60.99319	5.9
61.98823	11.7
73.47227	2.5
76.82304	2.8
78.10585	2.9
85.75661	3.3
90.38593	3.1
97.95403	2.6
109.11155	2.7
111.07902	3.2
118.20160	3.1
125.06087	5.0
135.50687	2.6
233.91200	3.2
381.30478	3.5
389.28735	2.9
407.33105	12.2
409.32724	3.6
441.33713	62.2
442.34033	9.0
453.34247	100.0
454.33896	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	453.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.3
57.03455	1.7
58.00596	1.0
59.01381	100.0
60.01717	1.7
61.00834	0.6
61.98832	14.1
67.01907	0.6
71.01391	29.5
71.15607	0.8
71.15932	0.7
72.61093	0.6
72.99310	2.1
73.02955	13.9
73.42918	0.5
75.00852	1.2
78.95925	1.6
80.02718	0.7
83.01398	7.6
85.02961	18.6
87.00910	1.7
88.98826	2.0
89.02457	4.5
93.03495	1.3
95.01394	3.3
96.96980	1.3
97.02956	1.3
99.00893	6.4
99.04529	1.0
99.95731	0.6
101.02457	40.1
102.02814	0.9
107.01428	0.7
108.02196	2.4
109.02998	3.1
110.49666	0.7
111.00922	1.6
113.02463	14.2
114.02811	0.8
114.05611	0.6
119.84881	0.7
120.99644	0.6
123.00914	1.6
123.04510	1.7
124.01672	2.0
125.02465	6.8
126.02789	0.8
129.01959	1.0
131.03525	57.9
132.03864	1.0
136.98921	0.8
137.02486	1.9
139.00386	1.3
139.04042	2.7
140.01215	0.7
141.01938	2.0
141.09195	1.2
143.03508	2.3
143.07126	0.9
146.08224	1.1
151.00337	1.4
151.04083	1.0
152.01151	1.5
153.01947	1.7
157.08746	0.8
159.03073	3.3
159.04318	0.6
161.04587	17.5
161.05986	0.9
163.04002	0.8
164.01118	0.7
165.01938	2.6
167.03508	1.2
169.01445	7.8
170.01903	1.2
171.01923	0.8
179.03520	1.3
180.04266	2.4
182.80676	0.6
183.06653	0.6
195.06645	3.0
200.98264	0.7
205.03551	0.8
208.37425	0.6
217.01392	0.6
225.07701	2.5
237.09775	1.6
245.08109	0.6
247.02417	0.8
261.13422	98.7
262.13733	5.3
289.07077	3.3
305.12335	1.8
313.05603	1.1
315.09012	0.7
393.17642	45.0
394.17993	4.5
405.15338	1.2
415.12726	1.1
417.13538	1.1
453.09775	10.9
453.18851	5.8
454.10934	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	453.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96407	0.3
68.73631	0.2
71.01377	0.3
71.67095	0.5
78.95908	91.8
89.02452	0.4
110.97693	3.8
110.98541	100.0
111.98924	0.7
183.11774	0.3
204.09360	0.3
341.10864	0.9
359.18799	0.3
399.54736	0.3
453.10095	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	453.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88071	0.3
55.01869	0.3
57.26881	0.3
58.36272	0.3
59.01370	0.9
61.98832	4.2
67.01889	0.6
68.99776	0.3
69.03454	0.6
69.62356	0.3
71.01378	2.9
71.04298	0.8
72.99316	0.7
73.02950	0.5
76.00921	0.3
79.01900	1.1
81.03458	0.3
83.01398	1.1
85.02969	1.1
86.94478	0.3
87.00887	0.6
89.02451	0.3
95.01392	1.6
97.02952	0.9
99.00888	0.6
101.02438	1.5
102.35007	0.3
107.01405	5.1
109.02959	0.3
110.00138	0.4
111.00908	2.2
113.02448	1.1
121.03019	0.4
122.99976	0.3
123.00903	12.9
124.01683	19.2
125.02467	29.9
126.02831	0.6
127.00374	0.8
136.98799	1.4
137.02460	0.8
138.03250	0.9
139.00394	4.2
139.04030	7.4
140.01184	3.6
141.01953	1.4
145.49065	0.3
151.00381	6.0
153.01985	0.4
165.01921	0.5
167.03519	0.7
167.99338	0.5
168.00667	5.8
169.01443	33.6
170.01738	0.8
179.03510	0.5
182.02208	0.3
183.02992	5.0
184.03355	0.3
211.02521	0.7
225.04066	1.1
230.04909	0.3
241.03497	0.4
243.23898	0.3
253.03444	0.5
285.06146	1.2
297.06064	1.4
312.04782	0.4
313.05670	6.0
314.05969	0.5
327.07227	1.8
417.14279	0.4
453.10373	100.0
454.10693	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	453.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
62.96406	0.2
69.96660	0.3
70.13825	1.3
71.01393	1.0
78.95912	92.1
85.02966	0.8
89.02456	1.0
96.04552	0.6
96.96032	0.9
96.96973	0.5
101.02451	0.7
110.98547	100.0
111.98899	0.6
113.02425	0.5
123.00896	0.3
124.01669	0.6
125.02470	0.8
127.13433	0.3
142.99893	0.9
151.00415	0.4
160.52483	0.3
166.28793	0.3
169.01436	0.7
170.96623	0.3
170.97804	1.5
179.05655	0.3
191.03465	0.5
202.38817	0.3
203.03542	0.5
217.01402	0.6
218.02180	0.7
243.03432	0.4
246.01628	1.3
247.02477	6.7
248.02852	0.4
279.10797	1.3
280.69449	0.3
300.99756	0.4
313.05618	0.5
341.10846	0.7
409.07736	1.1
453.11200	3.9
454.10406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05832	0.3
59.01381	2.1
61.98822	0.6
67.01894	0.5
69.03473	0.3
69.78008	1.6
69.78419	0.6
70.29286	0.3
71.01393	2.4
72.99307	0.5
73.02953	0.8
79.01909	0.4
81.03455	0.3
83.01409	0.4
85.02957	1.0
87.00880	0.5
89.02431	1.4
93.03488	0.5
95.01390	0.9
97.02965	0.7
98.20574	0.4
99.00890	0.4
101.02472	1.6
107.01406	2.9
109.02955	0.6
111.00861	1.4
113.02462	1.4
119.03497	0.3
119.05031	0.4
121.02991	0.6
123.00900	7.5
123.04568	0.6
124.01684	10.4
124.02599	0.6
125.02470	17.0
126.02805	0.4
127.00406	0.7
135.04506	0.4
136.98834	0.9
137.02475	2.8
138.03232	0.8
139.00401	2.3
139.04021	4.7
140.01172	2.3
141.01956	0.7
145.02953	0.4
147.04530	1.0
149.02426	0.4
149.04601	0.8
150.03223	0.4
151.00386	3.2
152.01187	0.4
153.01939	0.6
153.07570	0.4
161.04608	0.5
163.04012	0.8
165.01910	0.4
165.05583	0.4
168.00679	3.0
169.01450	18.5
170.01784	0.7
173.02426	0.5
175.04022	0.8
177.01906	0.3
179.03503	0.9
180.04253	0.3
183.02971	2.5
189.01956	0.6
190.02744	5.0
191.03516	4.6
193.01323	0.4
203.03546	0.8
203.07045	0.3
211.02492	0.4
217.01416	5.3
218.02217	5.5
219.03000	3.2
220.03427	0.3
225.04141	0.5
241.03540	0.3
245.00777	0.6
245.99086	0.5
246.01698	18.8
247.02466	100.0
248.02806	5.5
273.00305	0.7
276.18262	0.3
277.02368	0.3
285.06152	0.9
291.01456	1.0
291.08655	0.6
297.06085	0.7
313.05664	4.2
314.05811	0.3
327.07248	0.6
409.07748	13.1
410.07950	1.2
417.14032	3.2
453.05649	7.8
453.11337	36.6
454.11591	3.3
458.27747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
57.03459	0.7
58.00576	0.6
58.99598	0.7
59.01384	6.9
59.35445	0.5
61.98837	11.6
62.04760	0.6
66.10795	0.5
67.01882	1.5
69.03460	3.2
70.59343	2.4
71.01385	9.0
72.99306	0.9
73.02941	2.3
75.00861	0.9
79.01883	0.8
81.03490	1.0
83.01389	2.8
85.02950	4.5
87.00880	1.9
88.98830	0.7
89.02447	3.1
93.03483	0.8
93.76418	0.6
95.01400	2.8
97.02968	1.8
99.00924	0.9
101.02454	5.7
102.98619	4.5
104.12199	0.6
105.03391	0.7
107.01413	8.0
108.02223	1.0
109.02960	2.3
111.00911	4.2
111.04490	0.7
113.02469	16.7
114.02792	0.9
119.03500	0.7
119.05018	0.9
120.99638	1.0
121.02956	1.2
122.03748	0.7
123.00914	19.4
123.04510	0.7
124.01693	25.4
125.02476	44.0
126.02795	1.6
127.00407	1.6
127.04014	2.0
131.05028	1.0
133.03040	0.7
136.98837	2.5
137.02481	3.4
138.03203	1.2
139.00429	6.5
139.04031	9.4
140.01227	4.8
141.01930	2.1
143.03513	0.7
145.05107	8.6
146.03751	1.8
147.04568	3.0
149.02458	1.0
151.00400	9.7
151.03976	1.2
152.01007	0.6
153.01952	1.9
156.92557	0.8
158.03705	0.9
159.04533	3.0
161.02434	1.4
161.04604	1.3
163.04065	1.0
163.06171	1.7
164.01204	0.6
165.01964	1.6
166.02818	0.6
167.03554	1.1
168.00656	7.5
169.01447	47.6
170.01805	2.7
173.02289	0.8
174.03194	3.4
175.02519	0.8
175.04028	16.1
177.05579	2.0
179.03488	1.2
179.05652	0.7
181.01297	0.7
181.05092	1.1
183.03049	5.9
189.01953	1.4
190.02753	8.9
191.03537	3.7
201.01974	1.3
202.02705	1.5
203.03523	23.2
204.03847	1.2
211.02435	1.6
214.61908	0.6
217.01431	6.4
218.02223	7.4
219.02875	1.8
221.04535	1.8
225.04073	1.3
225.07832	0.6
233.49873	0.6
241.03592	0.6
245.00819	0.7
246.01697	27.8
247.02467	66.3
248.02821	2.9
254.49126	0.7
257.01114	0.6
273.00369	1.8
283.04941	3.8
285.06171	1.9
289.07236	2.0
290.00769	3.6
290.07565	1.8
291.01532	6.8
291.07745	2.1
297.06274	2.3
297.11856	0.8
300.99875	1.0
307.10431	1.0
313.05731	9.1
325.11472	1.7
327.07236	2.4
330.89783	0.7
390.11261	13.8
391.01157	0.9
391.11511	1.4
409.07748	29.0
410.07953	1.5
417.13770	1.8
421.13443	1.1
431.02484	0.7
453.11166	100.0
454.11636	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	452.2785
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
53.80426	0.1
55.66113	0.1
59.01380	0.2
61.98829	0.9
62.96424	0.2
63.18748	0.1
70.26641	0.6
78.95911	18.9
79.32024	0.1
96.96973	0.2
98.85983	0.1
104.97449	0.1
122.00169	0.8
134.98550	0.1
140.01208	4.9
152.99597	1.8
163.13493	0.1
166.02736	0.2
171.00615	0.1
178.35144	0.1
187.46619	0.1
196.03813	9.5
214.04897	2.2
237.22066	0.1
249.66774	0.1
251.03510	0.1
255.23286	100.0
256.23642	8.0
452.27805	32.4
453.28125	3.8
453.33426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10522	0.2
59.01380	5.3
60.01727	0.4
61.01799	0.3
61.98832	100.0
62.98540	0.3
65.33179	0.2
67.01922	0.2
69.56470	1.9
71.01389	2.2
72.99342	0.3
73.02959	0.9
75.00920	0.2
83.00941	0.2
83.01395	0.7
85.02971	0.8
87.00905	0.3
89.02467	1.6
93.03481	0.9
93.54139	0.2
94.03812	0.2
95.01413	0.4
97.02972	0.5
98.85365	0.2
99.04536	0.3
99.26058	0.2
99.45412	0.2
101.02445	1.6
102.02824	0.2
107.01398	1.0
107.04993	0.3
108.02188	0.6
109.03010	1.3
109.06614	0.4
111.00903	0.3
113.02474	0.7
115.11824	0.3
119.03543	0.4
119.05021	0.7
121.02969	0.3
123.00903	0.9
123.04543	0.8
124.01672	0.8
125.02466	5.0
126.02780	1.1
127.07674	1.3
128.08025	0.5
131.03543	0.3
135.04579	0.3
135.06636	0.3
137.02480	3.4
138.02820	1.5
138.05606	0.2
139.00372	0.4
139.04051	1.0
140.01164	0.3
146.08231	0.4
149.04549	0.5
151.00406	0.7
151.04031	0.5
152.01149	0.8
153.01939	0.7
154.02336	0.2
159.04514	0.4
161.04659	0.4
161.06134	0.4
164.04875	0.4
165.01997	2.0
168.00691	0.7
169.01434	5.1
169.02773	0.4
170.01752	1.9
173.04619	0.4
179.03569	0.8
179.07173	0.3
180.04288	1.0
180.66490	0.2
191.03412	0.2
195.06648	1.4
203.07199	0.6
205.05127	0.7
212.02919	0.2
225.07674	1.1
245.08223	0.3
261.13498	0.3
272.05048	0.2
272.42996	0.2
289.07169	3.1
298.12183	0.3
299.07999	0.2
300.08203	0.3
313.05719	0.9
314.05765	1.1
315.08670	0.9
332.07193	0.2
393.17587	1.3
405.15643	0.9
408.42905	0.2
415.11804	0.2
417.13962	1.2
452.09280	3.5
452.13446	1.2
452.17944	2.6
453.10388	4.7
453.19086	1.1
465.20181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99605	0.2
59.01383	2.1
61.98831	100.0
62.98536	0.2
67.84013	0.2
69.03445	0.3
70.51303	0.6
70.51664	0.3
71.01396	1.3
72.99325	0.2
73.02959	0.5
74.99088	0.2
83.01439	0.4
84.48611	0.2
85.02950	0.4
87.00906	0.5
89.02467	0.6
93.03512	0.4
95.01397	0.4
101.02486	0.8
102.98611	1.4
107.01436	0.8
111.00928	0.3
113.02480	0.6
115.71032	0.2
119.05048	0.2
120.99691	0.3
123.00938	0.5
123.04572	0.2
124.01740	0.2
125.02455	3.9
131.91127	0.2
137.02498	1.0
145.03026	0.6
161.04582	0.3
163.04039	0.3
167.03485	0.2
168.00635	0.3
169.01445	5.4
219.93588	0.2
227.03368	0.2
249.06200	0.3
255.03130	0.2
256.08658	0.6
283.04883	1.5
284.03461	0.3
285.04102	0.4
285.12421	1.4
320.20032	0.2
321.19257	0.4
329.28934	0.2
349.27301	0.2
377.05408	0.4
389.25684	0.8
392.23703	0.2
393.24930	0.7
408.19443	0.2
423.12979	0.3
434.17462	0.3
452.12320	0.3
452.18066	1.4
452.29755	0.5
453.05695	0.8
453.18854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.0
60.01713	0.4
61.98830	100.0
63.99253	0.2
69.62424	0.2
70.24704	0.2
71.01393	1.4
73.02979	0.4
85.02962	0.9
87.00365	0.1
87.00881	0.4
89.02442	0.9
93.03496	0.2
99.00863	0.2
99.67168	0.2
101.02471	1.2
101.26135	0.1
102.49514	0.1
105.45264	0.2
109.02965	2.3
109.06590	0.2
110.02636	0.2
110.03333	0.7
111.00900	0.2
113.02470	0.4
119.03549	0.2
119.05076	0.2
120.99682	0.5
121.02998	0.4
123.04549	0.8
124.04903	0.3
125.02496	0.7
133.03014	0.4
135.32195	0.2
137.02530	0.4
139.04021	0.2
147.04506	0.3
151.04044	0.4
152.04402	0.2
155.10849	0.4
156.11179	0.4
159.04535	1.8
161.02472	0.7
161.04568	0.5
162.03113	0.3
163.04016	0.3
167.03632	0.2
169.01605	0.2
172.10570	0.3
177.01959	1.9
178.02307	1.4
187.04010	0.3
188.04594	0.3
189.01936	3.0
190.02316	2.1
191.03362	0.8
192.03795	0.4
204.03897	0.4
207.10251	0.2
216.00706	0.5
217.01375	1.9
218.01768	1.8
219.02951	0.8
220.03310	0.3
230.09003	0.2
231.03073	0.4
232.03455	0.3
272.11249	0.3
281.04636	0.2
282.05084	0.6
298.08124	0.3
299.05606	0.4
300.05936	0.4
312.05911	0.3
341.06680	3.1
342.06973	8.0
343.07175	0.8
358.06427	0.6
392.23679	1.8
393.24765	1.1
404.77591	0.2
452.00949	0.2
452.10721	3.4
452.22180	1.4
453.10214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51926	0.3
53.06396	0.4
59.01377	3.5
60.01707	0.5
61.01798	0.5
61.98832	100.0
71.01380	2.2
73.02946	0.4
83.01391	0.6
85.02965	0.7
87.00874	0.6
89.02474	1.2
93.03495	0.9
95.01402	0.7
101.02468	1.3
107.01397	2.0
108.02245	0.4
109.02935	0.9
111.00909	1.2
113.02473	0.6
115.04078	0.4
118.83648	0.4
123.00901	4.8
124.01678	7.2
125.02462	10.9
126.02789	0.8
136.17105	0.4
137.02496	1.4
138.02853	0.5
139.00378	1.3
139.04010	5.6
140.01213	1.1
146.08267	0.6
148.35127	0.4
151.00403	2.5
152.01106	1.1
153.01974	0.7
167.03560	0.5
168.00665	2.5
169.01436	11.8
170.01808	1.3
175.57512	0.4
179.03564	0.6
183.02977	2.0
188.63280	0.4
193.01721	0.4
250.52454	0.4
283.82114	0.4
297.06396	0.6
301.00095	0.5
313.05771	2.7
313.11435	0.7
314.06125	1.3
327.07245	0.6
417.14166	0.9
452.08932	3.5
452.18500	0.5
453.10349	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.5
60.99598	0.3
61.98831	9.5
63.65528	0.4
67.01902	0.9
69.03454	0.4
70.24277	1.3
70.24691	0.7
71.01383	3.7
72.99325	0.7
73.02951	0.9
78.31342	0.4
79.01920	0.7
81.23197	0.3
83.01384	1.2
85.02962	2.0
87.00883	0.6
89.02473	0.6
92.22873	0.4
93.27903	0.3
95.01389	1.5
96.61404	0.4
97.02971	0.9
99.00908	0.7
101.02447	3.3
107.01406	2.3
110.00081	0.4
111.00902	1.9
113.02451	1.5
122.99980	0.4
123.00896	12.1
124.01690	3.4
125.02463	13.4
126.02798	0.5
127.00434	0.7
136.98842	0.6
137.02477	0.6
139.00380	3.7
139.04028	0.9
140.01167	2.4
141.01971	1.9
151.00386	11.2
153.01929	0.5
161.04535	0.8
168.00648	3.6
169.01442	20.7
170.01813	0.7
175.04066	0.6
175.54654	0.4
179.03543	0.5
181.04994	0.4
197.43445	0.3
203.03502	1.8
204.53476	0.3
208.04050	0.3
247.02437	0.9
253.03387	0.4
273.00189	0.4
290.07654	0.4
313.05536	2.7
327.07382	0.5
389.10889	100.0
390.11221	8.3
409.07727	0.4
452.11124	0.5
453.10590	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	452.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67849	0.3
55.01877	0.5
57.03457	0.3
59.01381	6.5
60.54095	0.3
61.98832	100.0
63.95004	0.3
66.67220	0.3
69.03468	0.5
71.01388	7.6
71.74926	0.4
72.99303	0.4
73.02943	2.5
83.01398	1.3
85.02964	3.8
86.89899	0.3
87.00879	0.4
89.02458	3.3
95.01418	0.6
99.00913	0.9
101.02455	6.6
113.02467	3.2
119.03560	0.5
125.02509	0.9
131.03561	0.9
137.02473	0.6
143.03543	0.8
149.04657	0.5
159.02979	0.6
161.04576	4.5
165.12845	4.5
166.13159	0.3
169.01421	0.5
183.13916	13.4
184.14328	0.9
191.05328	0.3
197.15451	0.4
227.12895	31.2
228.13271	1.2
233.06630	0.3
234.35992	0.3
251.13068	0.5
258.70746	0.3
299.99524	0.3
321.19199	13.1
329.16223	0.6
389.18243	5.4
390.18268	0.6
393.25247	0.4
453.00772	0.4
453.23798	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.3
57.03450	0.7
59.01381	24.3
60.01719	3.1
61.01798	1.6
61.98833	50.5
63.99257	1.3
64.44269	0.4
65.00334	0.5
67.01886	0.3
68.13672	0.3
69.03453	1.2
69.62292	1.1
69.62727	1.9
71.01388	8.3
71.55926	0.4
72.01738	0.3
72.99306	0.7
73.02955	1.3
79.01873	0.4
83.01402	1.5
83.05045	0.6
85.02964	2.1
86.03310	0.5
87.00896	0.6
89.02453	2.6
90.02798	0.5
91.02899	0.4
93.03473	0.6
95.01408	1.5
97.02979	1.1
99.00892	1.0
99.04535	0.7
101.02467	4.1
102.02782	0.5
107.01411	4.8
107.51647	0.3
108.02198	11.5
111.00901	1.1
113.02449	1.9
114.02801	0.5
119.03524	0.8
120.05448	0.4
123.00899	8.3
123.04604	0.7
124.01101	0.4
124.01822	1.8
124.04882	0.4
125.02470	34.6
126.02780	2.1
127.00433	0.6
136.98790	0.3
137.02460	0.9
137.06071	0.5
138.01991	100.0
139.00404	2.7
139.02309	2.5
139.03992	1.1
140.01160	1.5
140.04277	0.4
141.01959	1.1
145.02942	0.4
145.04817	0.4
149.02481	0.5
151.00391	6.4
152.00851	0.6
153.01891	1.1
155.68866	0.3
160.95872	0.4
161.04567	0.7
165.02086	0.4
167.03496	1.3
168.00661	2.6
168.03777	0.6
169.01451	48.3
170.01773	3.2
177.01811	0.5
179.03520	0.5
181.07239	0.4
193.01233	0.3
203.12921	0.4
207.13979	0.5
208.14252	0.5
209.04680	0.4
209.11877	1.0
210.12186	0.8
211.02499	5.5
211.12192	0.4
212.02811	2.6
218.89240	0.4
223.02501	0.4
225.15031	0.7
226.15187	0.7
227.12956	3.9
227.15189	0.6
228.13263	3.6
229.13524	1.8
230.13873	0.7
241.03511	1.2
269.13983	1.2
270.14328	1.6
271.04562	3.2
271.14478	1.2
272.04910	3.3
272.14828	0.5
275.01511	0.4
287.14987	5.2
288.15341	7.1
289.15491	6.0
290.03854	0.5
290.15811	3.6
311.07748	0.4
312.08109	1.2
313.05652	66.6
314.06018	3.5
321.19199	1.1
325.16891	0.3
392.19043	0.8
393.28619	0.5
433.20361	0.4
451.21823	2.9
451.33237	0.7
452.08218	33.7
452.12976	12.5
452.21741	8.9
453.08005	2.8
453.14017	0.7
453.22955	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53008	0.4
55.01881	1.2
57.03450	1.6
58.00602	0.6
59.01381	100.0
60.01721	1.9
61.01804	0.6
61.98833	74.0
65.00319	0.9
67.01887	1.2
69.03453	1.2
70.80282	1.0
70.80655	1.0
71.01386	20.8
72.99300	1.3
73.02960	6.4
75.00890	0.8
79.01928	0.5
81.03436	0.6
83.01403	4.1
83.05018	0.5
85.02962	7.4
87.00890	1.9
87.04522	1.2
89.02454	14.4
93.03470	28.0
94.03795	1.1
95.01387	2.9
96.96008	1.9
97.02965	1.1
99.00835	0.9
101.02456	12.0
103.04005	0.6
107.01412	6.0
108.02206	3.3
108.04523	0.7
109.02969	4.9
109.06605	0.7
111.00861	1.8
112.84512	0.5
113.02462	8.1
116.59200	0.5
119.03511	4.4
119.04945	0.5
121.02942	0.8
123.00900	8.3
123.04514	1.0
124.01637	1.8
125.02467	35.3
126.02775	1.5
131.03474	1.1
135.04501	1.3
136.01640	0.7
137.02467	50.6
138.02786	2.1
139.00407	3.9
139.03052	0.7
139.04031	10.4
140.01076	1.5
140.04352	1.0
141.02013	1.0
143.03421	1.4
149.02345	0.8
151.00395	16.2
151.03932	1.5
151.30330	0.5
152.01212	3.8
153.01970	6.7
153.05446	0.6
159.02950	0.6
161.04565	6.2
162.04828	0.6
163.03976	0.9
165.01823	1.2
165.05615	0.7
167.03409	2.0
168.00635	3.9
169.01450	45.4
169.05084	12.7
170.01668	2.1
170.05342	0.7
171.10252	0.6
175.00340	0.7
179.03476	4.0
179.05696	2.3
179.06940	0.7
180.04201	0.8
181.04926	0.6
191.03276	0.6
191.07021	0.6
193.01317	1.4
195.02898	0.5
195.06606	1.4
203.39407	0.5
209.04430	0.5
211.02473	3.5
221.08035	0.7
229.17824	0.8
229.98376	1.0
230.99174	1.0
239.05365	1.8
239.08983	1.0
241.03392	1.6
245.00682	1.0
246.98647	0.6
269.10010	0.6
271.04376	1.3
273.00043	2.1
274.00800	1.4
281.06738	4.7
283.09924	0.5
288.02335	1.5
289.03207	0.7
289.20255	3.6
297.06033	1.2
299.07675	3.6
299.98547	0.5
300.99472	0.8
313.05661	30.6
314.06046	2.5
315.06903	0.8
331.10062	0.8
391.23309	13.3
392.23291	1.2
403.16986	1.3
407.01749	0.6
407.09827	4.9
433.27759	1.1
451.08044	49.6
451.24805	16.4
452.08417	8.9
452.25085	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	451.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.8
57.16510	0.3
58.00605	0.4
59.01381	23.4
60.01710	0.6
61.01805	0.7
61.98832	100.0
62.98550	1.4
62.99272	0.4
63.02385	0.5
63.99256	3.0
64.05076	0.4
65.00321	5.3
67.01885	0.6
69.03468	0.8
69.65057	2.9
71.01388	7.0
71.40289	0.3
72.99294	0.6
73.02959	2.0
75.00879	0.6
77.00412	0.4
79.01915	0.4
81.03461	1.7
83.01395	6.8
83.05040	0.6
85.02953	2.8
87.00877	0.9
87.04539	1.0
88.98815	0.8
89.02447	3.9
93.03471	6.3
95.01404	1.4
96.95995	0.5
97.02942	1.7
99.00882	0.9
99.04513	0.3
99.84658	0.3
101.02449	5.2
107.01396	10.5
108.02245	0.8
109.02975	5.2
111.00888	1.7
113.02474	2.9
116.66818	0.4
119.03515	1.3
119.05007	0.4
121.02975	1.4
122.03732	0.4
123.00902	4.4
123.04543	7.9
124.01703	2.2
125.02464	38.2
126.02777	1.2
131.01375	0.9
131.03482	0.7
135.04533	0.7
136.01649	1.3
137.02470	11.4
137.06053	1.1
138.02852	0.7
138.36412	0.4
139.00392	3.8
139.03995	1.2
140.01132	0.5
141.01913	0.5
143.03508	0.5
149.02495	1.6
149.04552	1.2
149.99535	0.8
151.00391	51.0
151.03918	1.1
152.00729	2.2
153.01956	7.7
153.05595	5.7
154.02269	0.4
159.02979	0.5
161.04524	1.6
165.01920	1.3
165.05585	0.4
167.03490	1.7
167.99504	0.4
168.00679	3.4
169.01439	26.0
170.01761	1.2
171.10252	0.9
175.00369	3.3
179.03497	3.9
179.05042	0.5
179.05563	0.5
183.02911	0.4
193.01454	3.3
195.02934	0.8
195.06616	1.0
205.01311	0.6
211.02470	2.5
221.08405	0.4
230.99168	0.5
239.05602	2.1
245.00638	0.5
273.00223	0.5
281.06729	2.3
288.02832	0.4
297.02960	0.5
297.06183	7.6
300.99564	0.5
304.00339	0.4
313.05527	2.1
319.17447	0.6
331.06815	0.4
372.43372	0.4
388.12985	0.8
389.21475	0.6
390.22095	0.5
391.23254	8.0
392.23523	0.6
433.27817	0.9
451.08267	70.1
451.29318	9.9
452.08600	8.1
452.29111	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.126
Annotation	6'-O-Galloylsalidroside
Peak:m/z	Relative Intensity
55.01886	0.7
57.03448	2.6
58.00607	1.0
59.01381	77.8
60.01715	7.7
61.01812	5.1
61.98835	43.3
62.32736	0.6
67.01892	0.8
69.42399	2.3
69.42821	3.6
71.01392	16.5
72.01728	1.0
72.99310	1.6
73.02946	4.3
74.03320	0.6
75.00873	1.2
79.01928	0.9
81.03464	0.7
82.73817	0.6
83.01398	3.5
83.05039	0.9
85.02967	4.9
87.00893	1.1
89.02454	11.1
93.03484	1.5
95.01407	2.8
95.05074	0.5
96.10867	0.5
97.03045	0.7
99.00898	1.5
99.04533	2.8
101.02462	10.5
107.01416	5.4
107.05061	1.3
108.02201	1.7
109.03001	1.0
111.00928	2.4
111.30070	0.6
113.02469	5.1
113.79394	0.6
115.02892	0.6
119.03542	4.1
119.05077	2.4
121.03004	1.0
123.00905	19.4
123.04566	2.6
124.01693	9.3
125.02467	28.2
126.02869	0.8
127.00399	0.7
133.02925	0.6
136.98848	1.1
137.02478	1.9
137.06107	1.1
138.02011	8.1
138.03200	1.8
139.00400	4.5
139.04016	4.8
140.01192	3.4
141.01994	1.8
149.02444	0.7
149.99644	0.6
150.03276	3.1
151.00388	9.4
152.01176	2.2
153.01958	2.5
159.08904	0.6
161.02559	0.6
161.04610	1.5
163.04059	0.8
163.06244	0.7
165.01968	0.8
165.05579	0.9
165.12944	1.7
165.63507	0.6
166.02576	0.6
167.03520	5.7
167.13467	0.8
168.00658	8.8
169.01448	36.0
170.01868	0.9
171.06651	0.9
177.02071	0.8
179.05641	0.7
183.03082	1.3
185.11885	0.8
189.12703	0.7
190.16389	0.6
191.05663	0.8
207.13840	3.0
208.14258	1.7
209.04604	4.1
209.11882	5.0
209.14577	1.7
210.12222	3.5
211.02492	31.4
211.12503	2.6
212.02963	1.5
225.15022	3.1
226.15381	1.8
227.12930	15.9
227.15501	2.3
228.13242	8.7
229.13383	7.6
230.35182	0.7
239.05682	2.0
241.03633	1.0
248.22966	0.7
251.13010	0.8
252.13310	0.7
253.13670	0.7
269.13913	11.1
269.16672	0.7
270.14304	8.1
271.04590	37.8
271.14514	13.3
272.05011	2.2
272.14874	0.8
274.01270	2.6
287.15012	27.8
288.15323	17.8
289.03519	2.7
289.15536	32.3
290.15973	1.7
299.11523	1.1
311.07733	6.0
313.05618	7.2
313.15723	0.7
319.17752	2.0
330.16428	0.8
331.06757	1.5
331.16864	2.5
361.17892	2.5
389.18442	1.2
390.18625	1.7
391.18774	7.6
391.27451	0.8
392.19406	0.8
433.28284	0.8
450.20877	1.6
451.12634	100.0
451.21301	36.4
451.29190	3.2
452.08362	1.7
452.13202	11.0
452.21582	2.2
465.96506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1246
Annotation	Epicatechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.11628	0.3
55.66784	0.3
57.03447	1.8
59.01375	4.4
61.98831	12.9
65.03986	0.3
66.73715	0.3
66.95129	0.3
69.03464	0.4
69.86356	1.6
69.86777	0.6
71.01389	1.8
77.06128	0.3
80.33956	0.3
81.03441	2.2
83.01385	2.8
83.39397	0.4
85.02959	0.8
87.00890	0.6
88.98818	0.6
89.02451	2.3
93.03470	2.4
95.01392	1.8
95.05048	2.4
96.96027	4.7
97.02964	4.7
101.02438	1.4
107.01397	0.4
107.05030	0.6
108.02199	0.5
109.02965	17.9
111.00906	1.9
111.04523	0.4
113.02451	0.6
117.03481	0.5
119.03493	0.7
119.05010	0.4
121.02988	3.0
122.03748	0.7
123.00904	1.5
123.04536	12.5
125.02462	16.7
133.02943	0.7
133.06671	0.4
135.04536	2.0
137.02466	18.9
137.06062	0.4
138.02702	0.6
139.00343	0.7
139.04025	2.4
141.01950	0.9
145.02965	1.2
146.03760	0.9
147.04561	0.8
149.02469	4.9
150.03203	0.8
151.00404	0.9
151.04028	8.2
157.06599	0.5
158.03732	0.4
159.04488	2.2
160.05327	0.7
161.02457	6.2
161.04666	0.6
161.06079	3.9
162.03140	1.3
163.04016	2.6
164.01201	2.8
165.01952	6.9
166.02693	0.5
166.99944	0.5
167.03490	2.2
169.01427	3.8
173.02458	0.5
173.06122	0.7
174.03224	0.6
175.04041	2.0
175.07578	1.2
177.05579	0.8
179.03519	6.5
179.05652	2.1
180.03932	0.4
181.05020	0.7
185.06010	0.8
187.04015	4.1
188.01129	0.4
188.04803	3.7
189.01944	2.7
190.02737	0.6
191.03490	1.1
191.05566	0.8
199.07700	0.6
201.01939	0.4
201.05582	0.6
202.06419	1.7
203.03563	1.6
203.07141	11.0
203.09048	0.6
204.04181	0.6
204.07414	0.6
205.05057	7.0
212.04826	0.6
214.99998	0.4
216.00494	0.4
217.01443	0.9
217.04939	0.5
217.08904	0.7
218.02145	0.4
221.08086	2.2
227.07129	1.6
229.01395	0.8
230.05803	0.7
231.03046	0.7
245.00992	0.8
245.08192	17.3
246.08664	0.7
247.02448	1.4
247.06064	0.7
248.03328	0.4
249.04085	0.4
259.08066	0.6
261.00281	0.4
271.06046	0.9
273.00397	1.1
275.01932	1.1
289.07175	100.0
290.07516	6.8
291.01523	0.4
293.03491	0.3
299.07813	1.0
299.99081	0.4
300.99747	1.9
313.06876	1.6
353.08624	0.3
389.10901	3.0
421.03705	0.4
443.02573	0.9
451.02255	0.9
451.13181	9.9
451.52368	0.4
451.79926	0.4
452.03003	1.1
452.13187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.2
58.21176	0.4
59.01381	3.0
61.98836	4.5
67.01918	0.4
69.03452	0.7
71.01388	2.5
71.05037	0.5
71.27116	0.7
72.99292	0.5
73.02946	0.8
75.88056	0.3
81.03470	1.9
83.01389	2.7
85.02970	1.2
87.00949	0.4
89.02457	1.3
93.03478	3.2
95.01399	1.3
95.05033	2.3
97.02966	5.7
98.03426	0.3
99.04528	0.5
101.02445	2.2
103.30271	0.3
107.01413	0.8
108.02202	0.5
108.22414	0.4
109.02967	17.4
111.00906	4.6
111.41668	0.3
113.02472	1.0
119.03531	0.5
120.99677	0.3
121.02968	2.5
122.03760	0.8
123.00906	4.2
123.04546	11.3
124.01683	0.4
124.04833	0.4
125.02464	22.7
133.03017	0.3
135.04552	2.1
137.02473	18.4
137.06061	0.5
138.03217	0.8
139.00385	1.5
139.04033	2.9
140.01172	0.9
141.01956	1.2
145.02948	1.4
145.57628	0.3
146.03754	1.1
147.04584	0.7
149.02480	6.6
150.03191	1.3
151.00394	3.2
151.04044	9.3
152.04356	0.7
157.06578	0.5
159.04486	2.1
160.05324	1.0
161.02512	2.0
161.04701	0.7
161.06102	3.3
162.03215	1.2
163.04018	1.5
164.01178	2.2
165.01949	3.9
165.05585	0.4
166.02615	0.6
167.03546	1.9
168.00658	1.1
169.01451	8.2
171.06638	0.4
173.06120	0.9
174.03241	0.6
175.04019	1.9
175.07640	1.2
179.03522	5.8
179.05229	0.4
179.05743	0.4
184.05292	0.5
185.06183	0.6
187.04031	3.0
188.04771	3.2
189.01926	0.7
191.03554	0.8
193.01512	0.5
193.05095	0.5
199.07735	0.6
202.06322	1.4
203.03491	1.0
203.07166	11.1
204.07497	0.3
205.05058	7.0
209.04552	0.6
212.04761	0.4
217.08635	0.6
221.08162	2.1
227.07216	2.0
230.05919	0.4
231.02971	0.6
241.05122	1.6
245.08183	14.3
246.08502	1.0
247.06181	0.9
256.07513	0.9
271.06119	1.5
271.09772	2.2
275.01947	1.6
289.07175	100.0
290.07547	6.9
313.06284	1.6
319.12033	0.5
355.08267	0.8
361.14078	0.5
389.10892	31.6
405.21310	2.3
451.08456	2.4
451.12741	3.0
452.09024	0.4
459.90201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1245
Annotation	6'-O-Galloylsalidroside
Peak:m/z	Relative Intensity
52.26296	0.4
55.01844	0.5
57.03464	0.5
58.00591	0.9
59.01081	0.9
59.01379	16.1
61.98833	6.3
62.44426	0.4
65.00307	0.5
67.01879	1.5
68.99809	0.5
69.03462	1.2
69.68456	3.5
71.01385	6.9
72.99314	1.0
73.02948	1.2
79.01901	1.7
79.55124	0.4
81.03454	0.9
83.01391	1.4
85.02969	2.4
87.00888	0.7
89.02459	3.4
93.03476	2.2
95.01394	3.5
96.99313	0.7
97.02950	1.3
99.00894	0.8
101.02454	4.0
107.01411	5.6
108.02193	13.9
109.02972	19.1
110.00034	0.4
111.00909	3.7
111.48362	0.4
113.02445	2.8
119.03522	1.6
119.05014	2.1
121.02946	0.6
123.00902	21.1
124.01696	2.5
125.02460	23.6
126.02786	0.9
127.00378	0.8
130.05156	0.4
135.00897	0.5
136.98824	2.5
137.02473	4.1
137.06122	0.9
139.00378	6.3
139.04005	1.3
140.01180	5.0
141.01952	3.0
151.00391	15.0
151.04001	1.2
152.01178	20.2
153.01958	24.9
154.02264	0.8
163.03989	1.1
165.01965	0.5
167.03421	1.0
168.00648	5.7
169.01436	29.1
169.05017	1.0
170.01762	1.4
171.06619	0.6
176.01297	0.5
177.01964	0.6
179.03477	1.9
191.03447	0.6
193.01340	0.6
195.02963	0.6
196.81238	0.4
211.02486	6.4
221.70137	0.5
237.03957	0.5
245.00847	1.6
253.03490	0.5
271.04575	2.7
273.00372	4.3
274.01056	1.9
288.02759	3.8
289.03601	2.1
297.06137	4.0
313.05588	3.5
315.07205	4.4
391.23068	0.5
407.09940	5.7
408.10098	0.7
451.07764	21.0
451.13425	100.0
452.13748	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	451.1248
Annotation	6'-O-Galloylsalidroside
Peak:m/z	Relative Intensity
53.73020	0.4
55.01831	0.8
57.03424	1.0
58.00561	0.6
59.01381	17.4
61.98831	14.0
63.99231	1.1
65.00301	0.5
67.01871	1.0
69.03419	1.7
71.01385	14.1
71.04996	1.1
71.71169	0.8
72.99274	1.7
73.02950	2.9
74.60660	0.4
79.01865	2.1
81.03438	1.3
83.01405	3.4
85.02956	5.2
87.00845	1.9
89.02005	0.6
89.02454	7.2
93.03462	9.0
95.01395	3.2
96.96008	0.7
97.02973	2.4
99.00838	0.8
99.04492	0.8
101.01852	0.7
101.02461	9.0
106.04253	1.3
107.01402	9.8
107.05036	1.2
108.02231	2.8
109.02971	3.9
109.06586	2.5
110.00101	0.7
111.00906	4.3
111.08096	0.5
113.02470	6.9
119.03539	3.2
119.05042	3.9
120.99644	0.8
121.02946	1.0
123.00905	20.9
123.04520	0.7
124.01716	2.8
125.02461	63.0
126.02802	1.9
127.00409	1.0
127.07674	6.0
131.03516	1.3
135.04533	1.4
135.06688	1.1
136.01691	1.1
136.98843	1.6
137.02466	14.8
137.06099	26.2
138.06511	0.7
139.00395	5.8
139.04019	0.7
139.07629	0.5
140.01183	4.4
141.01993	2.4
141.09254	0.7
143.03432	0.7
146.08208	1.3
149.02487	1.2
150.03195	0.5
151.00394	19.1
151.04018	1.8
152.01170	4.2
153.01956	5.0
155.03629	0.5
157.08856	0.7
161.04652	1.3
163.04042	0.8
165.01949	1.0
165.05623	1.4
166.99901	0.8
167.03510	1.2
168.00674	6.5
169.01440	85.3
170.01799	3.0
171.06657	1.1
171.10240	0.6
177.01935	0.6
179.03503	3.9
179.05647	1.0
181.01436	0.8
190.49384	0.4
191.03658	0.6
193.01497	1.5
195.03058	0.7
195.06812	0.4
209.04623	0.5
211.02454	5.1
216.09010	0.7
223.02487	1.1
229.10031	0.7
231.11357	3.5
239.05685	1.1
241.03590	1.0
253.03722	2.1
271.11127	2.0
275.02307	0.6
289.20383	0.9
297.06476	0.8
297.12216	1.1
299.07782	1.1
301.00189	0.6
313.05655	22.1
314.06152	1.1
315.07358	0.9
319.18002	0.8
331.07089	1.1
361.14417	0.5
370.77615	0.5
391.06754	3.3
391.23709	1.0
407.10519	1.9
415.12445	6.5
450.99905	2.1
451.13104	100.0
451.18161	11.9
451.26266	3.6
452.13403	10.3
452.18588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1245
Annotation	6'-O-Galloylsalidroside
Peak:m/z	Relative Intensity
55.01865	0.3
57.03433	0.8
59.01084	0.8
59.01381	17.1
60.01720	0.6
60.95399	0.3
61.98832	28.8
63.99258	3.7
65.00337	0.4
67.01896	1.5
68.99833	0.7
69.03443	1.1
69.37843	2.9
69.38246	1.0
71.01386	8.1
72.99318	1.1
73.02958	1.1
78.56398	0.4
79.01899	1.7
81.02412	0.4
81.03471	0.6
83.01392	1.2
84.01527	0.4
85.02956	2.7
87.00877	0.8
87.04542	0.4
88.98836	0.6
89.02451	5.2
93.03461	3.3
93.70475	0.4
93.84781	0.4
95.01385	3.1
96.96023	1.9
97.02947	1.7
99.00898	0.6
101.02455	4.6
107.01409	6.8
108.02193	4.4
109.02979	10.0
110.00142	0.5
110.03334	0.5
111.00904	4.0
113.02451	3.5
119.03509	1.7
119.05037	2.3
120.99684	0.5
121.02987	0.8
121.89433	0.3
123.00905	20.9
123.04522	1.1
124.01761	1.9
125.02467	32.5
126.02812	1.3
127.00370	1.3
127.07700	0.4
135.00935	0.4
135.04466	0.4
136.01659	0.9
136.98845	2.7
137.02481	6.3
137.06090	1.6
138.05605	0.5
139.00397	6.0
139.04016	0.7
140.01189	5.1
141.01956	3.3
149.02498	0.7
149.04494	0.4
150.03242	1.0
150.99159	0.8
151.00398	15.3
151.04066	0.9
152.01189	5.4
153.01955	12.5
161.04594	1.0
163.04041	0.7
165.01997	0.6
165.05580	0.7
166.99767	0.5
167.03484	0.5
167.99283	0.3
168.00652	7.6
169.01450	42.5
170.01775	1.7
171.06706	0.6
179.03481	2.6
179.05650	0.5
180.04247	0.6
181.05060	0.5
183.03023	0.6
193.01494	1.2
193.05017	0.7
195.02908	0.4
195.06645	0.7
196.71603	0.4
207.02910	0.4
209.04526	0.7
211.00475	0.3
211.02481	7.2
228.50145	0.4
239.05681	0.7
241.03587	0.5
245.00810	1.0
253.03580	0.6
259.26559	0.4
271.04559	5.1
273.00415	2.8
274.01117	1.6
288.02731	2.3
289.03470	1.0
289.06857	0.5
297.06223	1.8
313.05655	7.8
314.06192	0.4
315.07327	2.9
317.99133	0.8
319.17630	0.5
338.50485	0.4
391.06802	1.4
407.09702	1.8
451.07516	6.0
451.13113	100.0
451.29105	1.9
452.13361	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01380	11.6
60.01736	0.5
61.01796	0.6
61.98829	14.7
65.00299	0.5
65.76514	0.4
69.81586	0.7
69.81990	1.7
71.01385	2.8
72.99308	0.5
73.02949	1.0
75.00860	0.5
76.02034	0.3
81.03467	0.5
83.01392	1.1
85.02937	1.2
89.02454	1.0
93.03460	7.3
95.01404	0.6
95.05019	1.4
101.02458	2.4
107.01388	0.6
108.02173	1.2
109.02962	23.3
110.03309	0.6
113.02469	0.7
115.05489	0.4
117.03515	0.7
119.03516	0.5
119.05041	0.8
121.02941	0.9
122.03706	0.4
123.00893	0.5
123.04536	12.0
124.01685	0.6
125.02460	6.6
126.02769	0.4
133.02968	3.6
134.03697	0.4
135.04530	0.5
137.02460	13.2
137.13757	0.4
139.00404	0.7
139.03993	1.1
139.11333	2.0
140.11626	0.7
141.11896	0.4
145.02977	1.6
147.04539	3.6
149.02464	0.6
150.03232	0.9
151.00400	1.0
151.04022	6.2
155.10776	0.6
159.04501	1.0
161.02466	5.4
161.04596	0.9
162.03172	1.2
163.04001	1.2
165.33255	0.4
166.99901	0.5
167.03516	3.6
168.00656	0.8
169.01443	6.3
171.10251	0.7
175.03998	0.7
176.01051	0.8
177.01938	22.9
178.02267	1.0
178.90659	0.4
183.02963	0.8
183.10275	2.4
184.10703	0.8
185.10805	0.8
187.04016	1.9
188.14481	0.5
189.01945	51.0
190.02696	10.3
191.03511	10.2
192.03979	0.7
201.02005	0.4
203.03534	5.4
204.03828	0.5
205.05055	0.7
210.01697	0.7
211.02431	0.7
213.01921	0.5
216.00618	8.1
217.01422	34.5
218.02007	3.2
219.02982	12.6
220.03386	0.8
222.01695	0.4
225.03996	2.5
231.02994	10.6
232.03604	1.2
233.04501	0.9
269.08093	0.4
271.06329	0.5
275.06665	0.4
281.04565	1.4
285.06146	3.9
287.05493	0.6
289.07211	4.4
297.07663	1.2
299.05695	1.8
311.05624	1.0
313.05576	2.2
319.17728	0.6
323.05627	1.5
324.06012	0.4
327.05170	0.5
341.06659	100.0
342.07007	9.8
357.06070	1.2
391.23334	0.9
450.20313	0.7
450.99469	1.2
451.10278	30.9
451.20462	13.9
451.28973	1.8
452.10599	4.1
452.21292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20960	0.3
57.03449	0.4
59.01377	3.8
61.98834	6.8
69.03455	1.4
70.46679	1.3
71.01381	2.9
73.02949	0.9
81.03462	0.9
83.01393	0.7
85.02948	1.3
85.20367	0.3
85.55016	0.3
87.00880	0.4
89.02463	0.9
93.03470	28.2
94.03832	0.9
95.01401	1.1
97.02984	1.8
98.20497	0.4
100.10873	0.3
101.02468	1.8
107.01424	0.9
107.29288	0.3
108.02194	0.9
109.02936	1.0
113.02462	1.7
113.52737	0.3
119.03500	0.4
121.02961	0.9
123.00902	6.9
123.04565	0.5
124.01686	15.1
124.02599	0.8
125.02470	31.4
126.02771	1.0
127.07723	0.3
136.01640	0.7
137.02466	54.4
138.02791	1.8
139.04030	0.4
145.02960	0.6
149.02423	0.8
149.99605	28.0
151.00403	2.4
151.04005	0.9
155.10832	0.6
161.02429	0.9
161.04507	0.6
165.01988	0.6
167.03487	1.4
168.00662	62.2
169.01437	7.8
170.01587	0.3
177.02019	0.4
179.03516	0.9
183.04506	0.4
191.03534	0.4
211.02548	0.6
227.03523	4.4
269.06821	0.6
284.18878	0.4
289.23856	0.4
313.05652	14.9
314.06000	1.1
331.06717	32.4
332.07104	2.2
351.20486	0.8
374.26126	0.4
391.23120	0.4
402.82111	0.3
451.08813	100.0
451.29208	1.8
452.09113	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	451.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35836	0.4
59.01383	11.8
61.98831	51.7
69.40225	5.2
71.01386	4.1
73.02950	1.5
75.00910	0.6
80.91710	0.9
81.03464	0.6
85.02945	2.5
87.00874	0.8
87.04551	0.6
89.02462	2.1
89.04010	0.6
93.03464	1.8
95.05036	1.0
101.02471	3.0
109.02962	27.2
112.86314	0.5
113.02448	1.7
117.03468	0.8
119.05023	1.2
121.02979	1.3
123.00918	0.8
123.04539	11.4
125.02433	2.4
133.02995	4.7
134.03740	1.1
135.04623	0.9
137.02449	2.5
139.04018	1.8
145.02988	2.0
147.04518	3.3
149.02432	1.5
150.03294	0.6
151.04008	7.3
155.10785	3.0
159.04576	1.2
161.02489	7.5
161.04575	1.6
162.03203	2.2
163.04005	2.9
167.03517	1.4
169.01411	0.8
170.94720	0.5
171.10295	1.2
175.03951	0.8
176.01251	0.9
177.01939	28.2
178.02245	1.5
179.05603	0.7
187.03996	2.7
188.04803	1.0
189.01950	50.3
190.02696	12.6
191.03493	9.0
192.58206	0.5
201.01950	0.6
203.03557	3.8
215.03410	0.6
216.00645	9.5
217.01422	32.8
217.10782	0.8
218.01996	3.1
219.03001	12.1
222.01631	0.7
227.07059	0.6
229.08759	1.5
230.00864	0.5
231.02989	10.3
232.03749	1.3
233.04431	1.0
241.05133	0.6
255.06619	0.8
257.04501	0.7
264.04248	0.6
269.04526	0.6
271.06174	0.6
281.04535	5.5
282.05356	0.6
287.05609	1.6
289.07312	2.4
289.15146	0.7
295.05997	0.8
297.07721	2.8
299.05630	7.0
311.05399	2.7
321.11926	0.5
323.05533	1.2
326.62759	0.6
341.06668	100.0
342.06995	9.9
357.06210	5.5
391.23056	2.8
451.10321	32.9
451.21161	9.8
452.10498	4.2
452.21719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06535	0.2
55.01886	0.3
55.41701	0.2
56.47623	0.2
57.03440	0.3
59.01381	2.9
61.98827	3.3
68.99845	0.3
69.03463	3.1
69.47657	1.6
69.48062	0.6
71.01392	3.1
72.99361	0.3
73.02967	1.1
74.15720	0.2
81.03481	0.8
82.42687	0.3
83.01404	1.2
85.02962	1.1
87.00887	0.4
89.02448	1.4
93.03465	9.4
95.01392	1.9
97.02960	2.6
97.06578	0.3
99.00907	0.3
101.02450	2.5
107.01431	1.3
108.02211	0.8
109.02962	0.9
111.00874	0.3
113.02470	1.3
119.03529	0.6
121.02957	0.8
123.00901	8.4
123.04548	0.4
124.01679	21.0
125.02464	46.8
126.02811	1.8
135.04565	0.4
136.01677	0.5
137.02460	19.2
138.02800	0.9
138.05647	1.7
138.90381	0.3
139.00427	0.3
139.04025	0.6
140.01289	0.3
149.02475	0.6
149.99603	37.3
151.00414	3.4
151.03961	1.2
153.01990	0.4
161.02484	0.4
165.01901	0.4
167.03539	1.0
168.00656	67.2
169.01440	11.9
170.01845	0.5
179.03543	1.0
179.05658	0.2
188.28740	0.2
193.01347	0.5
201.05588	0.2
227.13094	0.3
229.05177	0.4
229.48689	0.2
239.05473	0.4
245.04567	0.4
246.80077	0.2
270.05576	0.3
281.06668	4.0
282.07031	0.4
288.06390	0.4
289.03656	0.4
289.20343	0.5
313.05545	3.3
314.05984	0.5
331.06699	9.5
332.06897	0.4
357.12332	0.2
391.27316	0.4
404.21548	0.3
433.07605	1.9
434.08182	0.3
451.08731	100.0
452.08615	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	451.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03458	0.8
59.01382	26.0
61.98830	10.7
65.00350	1.2
67.01895	1.8
68.15334	0.7
68.99812	0.8
69.03470	2.4
69.54331	0.6
69.85664	4.3
70.36431	0.7
71.01390	11.8
72.99326	1.3
73.02957	2.1
79.01887	1.5
81.03481	2.0
83.01414	2.7
83.96554	0.7
85.02952	5.6
87.00891	2.0
89.02461	6.1
93.03458	3.6
93.95135	0.7
95.01402	4.8
96.99382	0.9
97.02965	1.7
99.00896	1.4
99.52998	0.7
101.02462	6.5
107.01399	8.1
108.02190	36.4
109.02969	47.2
110.00136	1.0
110.03329	1.3
111.00877	4.8
113.02458	5.3
119.03602	1.1
119.05037	4.0
121.02961	1.4
123.00905	28.2
123.04548	1.8
123.90589	0.7
124.01735	4.0
125.02459	30.7
127.00407	1.3
135.00919	2.1
135.04564	1.2
136.98836	2.4
137.02461	8.4
137.06113	2.0
139.00403	7.9
139.04057	1.8
140.01180	6.4
141.01978	3.5
149.02504	0.9
151.00392	22.6
151.04030	2.3
152.01176	54.3
153.01958	67.9
154.02313	2.1
156.37787	0.7
161.04585	1.7
163.04034	2.4
165.01996	1.3
168.00644	7.2
169.01443	39.8
169.05070	1.6
170.01767	1.4
178.99881	0.8
179.03525	2.9
181.05038	1.0
195.02998	2.6
195.06668	0.8
207.90662	0.7
211.02498	9.2
245.01001	1.7
271.04568	4.9
273.00436	5.7
274.01138	2.6
281.06741	1.8
288.02802	4.8
289.03574	2.3
297.06192	14.5
298.06522	0.9
313.05664	5.1
315.07193	12.5
344.37436	0.7
348.47723	0.8
391.23102	1.7
407.04980	1.4
407.09848	13.5
408.10040	1.4
433.07727	1.3
451.08344	84.9
451.12714	100.0
451.29065	1.7
452.08618	7.0
452.12991	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	451.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47440	0.6
55.01919	0.7
55.25829	0.7
56.57299	0.6
57.03473	1.5
59.01380	25.1
60.01760	2.4
61.01838	1.2
61.98373	1.9
61.98522	2.2
61.98830	61.0
62.98565	0.8
63.99257	8.6
64.32183	0.6
67.01917	1.1
68.99872	0.7
69.03487	1.4
69.50551	1.3
69.50962	5.2
71.01386	12.1
72.99352	1.5
73.02954	3.4
74.02509	0.8
75.15974	0.6
75.52439	0.6
79.01963	1.0
81.03474	1.0
81.99953	0.6
83.01424	1.7
85.02959	5.8
87.00909	1.5
89.02452	9.1
93.03469	15.6
95.01400	4.3
95.05064	0.8
96.96033	0.8
96.99393	0.6
97.03006	2.0
99.00945	1.7
99.04556	0.9
101.02456	9.5
101.03046	0.6
104.50371	0.7
107.01403	8.4
107.02003	0.8
107.05061	1.6
108.02226	2.7
109.02940	3.5
109.06614	3.5
110.00121	0.8
111.00932	2.9
111.08167	0.9
113.02473	4.6
119.03524	3.2
119.05037	4.0
121.02973	1.1
123.00896	13.2
123.04568	0.6
124.01698	3.2
125.02460	74.6
126.02829	2.4
127.00398	1.4
127.07670	16.0
135.04570	2.4
135.06638	4.5
136.01674	2.9
136.98845	1.9
137.02463	41.4
137.06105	1.7
138.02812	1.1
139.00372	5.0
140.01222	4.6
141.01915	1.4
141.09227	1.6
146.08173	0.8
149.02507	1.7
151.00377	10.0
151.04044	2.0
151.07707	0.6
152.01176	4.0
153.01962	6.1
153.05600	0.8
155.07147	0.7
157.08762	1.3
161.04636	2.9
163.03938	0.8
165.01949	2.0
165.05701	0.6
166.99849	0.7
167.03487	2.4
168.00658	10.9
169.01442	88.9
170.01804	2.3
171.06624	1.4
177.01845	0.8
179.03531	11.1
179.05275	0.8
179.05774	1.0
181.01479	1.2
183.03000	1.4
193.01416	2.3
193.04955	0.8
195.02962	0.8
197.53696	0.6
201.01808	1.0
207.02875	1.2
209.04482	1.0
211.02470	11.7
217.01379	1.0
231.80223	0.6
239.05603	3.7
241.03423	1.3
245.00957	1.2
253.03374	2.2
271.04547	2.4
297.06342	0.7
297.11884	3.6
299.07541	2.8
300.99326	0.7
311.13235	0.7
313.05630	19.5
314.05853	1.5
315.06894	0.9
319.17441	0.7
331.06729	5.7
391.06726	8.3
407.09601	1.3
415.12366	0.8
451.08273	100.0
451.16812	21.1
451.24359	1.8
452.08456	8.8
452.18149	1.8
465.54358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3273
Annotation	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate
Peak:m/z	Relative Intensity
59.01378	0.8
61.98825	0.5
70.85172	0.5
71.01398	0.2
71.04997	0.2
78.95911	1.5
85.06596	0.2
96.96961	0.1
137.09708	0.2
139.11333	0.7
152.99593	2.1
157.67506	0.1
185.11884	0.7
192.55962	0.1
233.15431	0.5
248.17735	0.2
249.18617	1.0
261.29684	0.1
263.20132	3.0
264.20477	0.3
280.16974	0.2
305.24948	0.2
335.25916	0.4
387.28613	0.2
387.32779	1.9
388.33017	0.3
389.21863	0.2
389.30862	0.8
405.33868	1.6
406.34247	0.4
431.31653	1.9
432.32285	0.3
449.32721	100.0
450.33099	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	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57702	0.1
59.01369	0.7
61.98834	100.0
69.93932	0.8
71.01389	0.2
83.63225	0.2
88.51570	0.2
89.02454	0.3
93.27235	0.1
108.11956	0.1
109.62954	0.1
125.02452	0.2
130.48058	0.1
169.01498	0.3
172.13548	0.1
220.18047	0.2
235.69643	0.1
318.42441	0.1
379.20584	0.2
384.15134	0.1
387.12888	0.6
390.21490	0.2
451.12640	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	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11452	0.2
51.44594	0.1
53.78534	0.2
59.01378	2.7
60.01713	0.4
61.98833	100.0
69.46262	0.5
69.46676	1.2
71.01392	0.7
73.02949	0.3
85.02966	0.3
89.02480	0.6
93.03490	0.5
101.02465	0.5
107.64478	0.2
112.70959	0.2
125.02474	1.0
125.70665	0.2
133.98624	0.2
137.02493	1.1
151.00447	0.6
161.04575	0.3
164.74956	0.2
169.01405	1.1
169.03741	0.2
179.05661	0.3
209.39969	0.2
289.20853	0.2
301.77750	0.2
313.05600	0.9
390.22275	0.7
450.10571	0.3
451.08481	1.6
451.25656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51783	0.5
55.00860	0.5
55.01871	0.5
56.93608	0.6
57.03441	1.3
59.01381	50.8
60.01717	5.3
61.98831	22.2
66.21410	0.5
70.50546	2.1
71.01386	4.6
72.01732	0.6
73.02950	2.3
75.00902	1.3
83.01394	1.3
85.02963	3.3
89.02434	2.0
93.03464	5.1
95.05041	0.8
101.02457	5.5
101.63080	0.5
102.02802	0.8
107.01389	0.7
109.02980	8.2
111.04559	0.7
113.02512	2.4
113.03298	0.5
114.02778	0.9
117.03481	0.7
122.28468	0.5
123.04548	4.2
125.02473	6.5
133.02977	1.3
137.02472	12.0
137.09726	0.6
139.00374	0.6
139.03984	0.8
139.10294	0.9
139.11308	10.5
140.11646	7.8
145.02919	0.8
147.04471	1.0
151.00375	0.6
151.04010	2.0
152.01109	0.8
155.10808	2.3
156.11128	1.6
161.02423	2.3
161.04582	2.0
163.11380	0.6
164.11542	0.5
167.03511	4.1
168.00645	1.2
169.01462	5.3
173.04622	1.0
174.86244	0.7
177.01959	6.4
181.12386	3.3
182.12668	3.5
183.02991	1.5
183.10278	12.9
184.10602	12.1
185.10776	0.6
187.07610	0.7
188.07997	0.9
189.01953	17.0
190.02739	3.8
190.93311	0.6
191.03503	3.5
191.05293	1.0
203.03522	2.2
210.01643	0.6
213.94623	0.5
216.00609	2.7
217.01430	11.6
217.78578	0.5
219.03050	4.5
223.08249	1.7
224.08466	1.2
225.04094	2.6
225.11256	0.9
226.11594	2.7
227.03531	1.1
228.03844	1.9
229.04112	0.7
230.04211	1.4
231.02991	3.8
232.10602	0.7
243.12404	0.7
244.12720	1.1
255.03040	1.5
255.75513	0.5
256.03409	3.3
257.03613	2.1
258.03665	2.6
270.04504	0.5
274.03326	0.7
274.11087	0.6
284.03107	0.7
285.03491	1.6
285.06192	3.1
286.03864	2.3
287.04166	3.4
288.04913	0.9
288.15225	0.7
289.07141	2.7
297.07724	0.8
299.05630	0.7
301.03326	0.6
302.03488	0.8
303.03574	0.9
304.04364	1.0
313.05630	1.3
341.06674	35.2
357.06085	1.1
382.62247	0.6
432.19788	5.2
433.19315	0.9
450.11194	12.1
450.20584	100.0
450.99661	1.0
451.10175	13.1
451.20657	8.3
451.27097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.2
59.01381	7.2
61.48700	0.2
61.98824	1.6
71.01381	0.9
71.05012	1.0
71.68673	0.4
73.02951	0.5
78.95898	0.7
85.06596	1.9
89.02447	0.3
96.95988	0.4
97.06606	2.0
103.97116	0.2
109.06594	0.4
111.08154	0.3
121.06640	0.5
123.08186	3.3
125.09726	0.6
135.08177	0.5
137.09743	1.6
139.11330	0.3
149.09729	1.8
151.11293	4.0
153.12814	0.7
169.12383	0.5
172.03276	0.2
177.09258	0.4
177.12854	0.4
195.10278	2.9
195.13863	0.4
197.11804	0.3
207.13895	1.9
209.15469	7.4
221.11803	4.2
222.12149	0.4
230.16722	0.2
230.48906	0.2
233.15402	0.4
235.17029	0.9
241.96414	0.2
243.17480	0.3
245.19159	0.4
249.18568	2.5
250.18839	0.2
261.18594	0.9
263.20148	7.3
264.20468	0.7
289.18042	0.3
305.21265	0.5
307.22815	1.6
308.22888	0.2
315.23251	0.4
316.99301	0.3
331.26520	0.4
361.31125	0.5
369.28043	0.6
375.25119	0.3
387.29102	5.4
388.29437	0.6
389.22232	0.4
389.26889	0.5
403.28821	0.3
405.26395	0.7
405.30521	4.3
406.30386	0.8
431.28061	6.6
432.28488	0.9
449.29077	100.0
450.29419	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	449.291
Annotation	Lemnabourside
Peak:m/z	Relative Intensity
59.01113	0.4
59.01378	3.5
61.98830	2.3
65.69140	0.2
68.12861	0.3
71.01389	0.6
71.05013	0.7
78.95892	0.3
79.39536	0.2
85.06599	0.6
86.34029	0.2
96.96021	0.5
97.06590	0.6
99.00898	1.4
101.02380	0.3
101.36964	0.3
137.09735	0.3
137.84514	0.3
176.44026	0.3
209.15326	0.3
233.19133	0.3
241.29022	0.3
272.09979	0.3
277.18082	3.4
279.19641	83.9
280.19968	6.6
331.26410	0.7
377.27133	0.5
387.29150	0.4
405.30103	14.0
406.30487	1.8
431.27881	0.8
449.29077	100.0
450.29477	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09653	0.4
57.03445	0.9
58.00591	1.4
59.01381	100.0
60.01717	0.5
60.32798	0.4
61.98837	7.5
64.35397	0.4
65.39103	0.5
67.43304	0.5
69.57056	4.1
71.01386	25.4
71.05021	0.5
72.99326	1.4
73.02960	2.3
75.00890	0.5
77.41534	0.4
83.01401	1.4
85.02963	5.5
87.00890	2.0
87.04534	0.6
89.02454	33.3
93.03449	1.0
95.01402	1.5
96.78970	0.4
98.20641	0.9
99.00920	0.5
101.02457	13.9
102.02800	0.5
113.02458	10.7
119.03522	14.1
125.02457	1.4
125.55029	0.5
131.03531	1.8
133.02992	0.6
134.03731	0.9
137.02515	0.7
139.11385	0.7
143.03526	4.6
145.07770	1.0
149.04625	1.7
151.11308	0.7
153.01891	0.5
153.09264	4.7
161.04575	6.4
167.03537	0.9
169.12311	3.1
173.04623	1.6
177.02005	0.9
179.05630	13.6
179.07172	0.8
191.05666	1.1
199.13405	10.9
203.03569	2.0
209.11855	0.6
209.15453	4.0
213.11380	0.8
225.15074	0.8
227.12885	7.0
227.16530	0.5
230.02228	1.3
231.03152	1.0
231.12498	1.4
269.13962	0.8
275.09341	1.4
287.15005	8.2
297.07843	0.7
329.16202	1.0
351.07327	0.7
389.21854	36.4
390.22171	4.7
417.08118	0.5
431.68445	0.5
449.10739	2.3
449.20682	5.2
449.27774	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
57.03454	1.4
58.00600	0.9
59.01379	100.0
60.01712	1.0
60.21432	0.6
61.98833	22.8
67.30139	0.4
69.02974	0.4
69.03456	0.5
71.01385	20.1
71.23054	1.0
71.29308	0.5
72.99323	1.0
73.02947	4.6
75.00885	0.8
83.01405	1.9
84.92099	0.5
85.02966	6.1
87.00896	2.2
87.04531	1.0
89.02451	22.8
93.03477	1.3
95.01403	2.0
95.05013	0.6
97.02924	0.5
98.03845	0.5
99.00878	1.1
101.02457	15.1
105.05598	1.6
105.77693	0.5
107.01398	0.6
108.02186	0.6
111.00850	0.5
111.08180	0.5
113.02469	9.2
115.37363	0.5
119.03510	9.9
119.04313	0.8
120.99693	1.7
121.03006	0.6
123.00945	0.6
125.02473	1.8
131.03546	1.2
135.04515	2.2
135.08183	2.1
137.02481	2.8
137.09735	7.2
139.11310	5.3
143.03513	2.6
145.02992	0.5
149.02568	0.5
149.04559	0.9
151.00362	1.2
153.09227	2.0
155.10803	41.7
156.11118	1.8
159.03043	0.8
160.04053	5.1
161.04578	5.8
163.11304	1.1
169.01401	0.9
173.04646	2.1
177.01933	0.9
179.05617	8.7
181.08786	1.4
181.12334	2.1
183.10271	8.4
189.01892	0.6
191.05638	1.7
199.09776	8.9
200.10103	0.9
207.13905	0.5
209.00948	0.9
209.11839	1.0
209.15399	2.3
213.09282	1.2
223.08221	2.1
225.11298	1.9
225.14944	1.1
227.12918	4.6
227.16403	0.5
231.10207	2.0
231.12242	0.6
241.10988	0.5
255.03001	0.9
257.08252	1.1
267.10739	0.7
269.13910	1.4
273.11301	0.7
275.09195	0.7
287.05054	0.8
287.15018	13.0
288.15280	0.8
329.16080	0.9
331.08292	0.5
363.07611	0.5
389.21875	18.8
390.22186	2.4
407.07968	0.5
431.19189	2.7
449.09897	3.7
449.20206	68.9
450.14624	0.9
450.20526	8.1
450.26480	0.5
453.80927	0.5
454.59439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28333	0.1
55.01880	0.3
57.03441	0.3
58.00611	0.3
59.01381	100.0
60.01721	0.6
61.56704	0.2
61.98834	3.2
62.19054	0.2
71.01387	6.5
71.05035	0.4
71.74476	0.3
72.99345	0.2
73.02958	1.6
75.00865	0.2
81.03516	0.2
83.01392	0.8
85.02962	2.5
87.00908	0.3
89.02453	3.0
89.02976	0.2
93.03495	0.2
95.01420	0.7
97.02944	0.2
99.00874	0.8
101.02461	4.1
109.06670	0.2
111.00945	0.2
113.02467	3.2
116.92905	0.2
119.03532	1.5
120.99712	0.6
121.03007	0.2
123.00936	0.3
125.02471	0.8
126.02935	0.1
127.07683	0.4
135.04578	0.9
137.02565	0.3
137.09781	0.2
139.07677	0.7
143.03558	0.7
151.00456	0.2
153.09305	0.5
155.10802	2.4
159.03018	1.0
161.04575	6.4
161.41435	0.1
169.01527	0.5
179.05635	1.0
183.30663	0.2
185.02498	0.2
195.04688	0.2
199.04492	0.2
208.28181	0.2
209.15434	0.2
227.16522	3.2
243.03096	0.2
247.02188	0.2
250.43965	0.1
259.06088	0.2
261.33707	0.2
287.05646	0.2
287.18640	0.8
389.21823	10.9
390.22318	0.8
433.21268	0.4
449.11890	0.9
449.16928	0.4
449.24048	3.1
450.24536	0.5
464.41620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89795	0.3
53.78519	0.3
57.03451	0.8
59.01382	100.0
60.01714	0.9
61.98834	8.8
66.83870	0.2
71.01392	5.1
71.05007	0.3
71.49996	0.3
71.50328	0.4
72.99307	0.3
73.02956	1.7
78.26518	0.3
81.03472	0.5
83.01421	1.0
85.02953	2.0
89.02454	1.6
93.03529	0.3
95.01414	0.4
97.02990	0.4
99.00896	0.8
101.02458	3.8
107.01424	0.4
113.02470	2.3
119.03495	0.5
121.03011	0.5
123.04543	0.4
125.02472	6.6
137.02495	0.5
143.03516	0.4
149.02463	0.8
151.00407	1.5
152.01163	0.3
153.01964	0.5
155.10852	1.7
159.03070	0.8
161.04596	5.7
165.01994	0.9
167.00069	0.3
173.06215	0.3
177.05482	0.4
178.99905	1.0
179.03630	0.3
179.05630	0.4
215.07101	0.6
227.16542	2.4
243.06526	0.3
259.06140	5.7
259.08658	0.5
260.06430	0.4
269.04532	4.8
270.04742	0.4
287.05615	2.8
354.56943	0.3
389.21790	8.1
390.22095	0.8
449.10977	5.1
449.24094	0.9
450.10983	0.8
453.99316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.6
57.03457	1.5
58.00597	0.9
59.01380	65.9
59.36773	0.5
60.01706	0.9
61.98834	14.6
65.59201	0.5
68.25065	0.5
69.03432	0.9
69.73589	4.0
71.01387	18.1
72.99291	1.0
73.02945	5.5
75.00874	0.6
83.01413	2.1
85.02962	6.1
87.00892	1.3
87.04520	1.3
89.01906	1.0
89.02457	16.7
93.03475	1.1
95.01405	1.3
99.00906	0.9
101.02458	13.5
105.05595	2.0
108.02213	0.9
109.02999	0.6
113.02472	8.9
119.03522	7.9
120.99660	2.6
123.04573	1.1
125.02507	1.3
129.01964	0.6
131.03542	0.7
131.38675	0.5
135.04562	2.0
135.08165	2.8
137.02492	1.4
137.09737	11.2
139.04089	0.6
139.11327	2.4
143.03534	2.0
149.04552	1.0
151.00415	0.7
153.09282	1.2
155.10805	69.6
156.11098	2.6
160.04053	1.9
161.02571	0.5
161.04613	4.5
163.00340	0.6
163.11308	0.7
167.03532	1.6
169.12376	0.8
173.04573	1.7
177.01938	0.5
178.99919	0.5
179.05621	5.4
181.08711	2.5
181.12370	1.6
183.10287	4.1
188.32602	0.5
191.05688	1.5
199.09769	12.7
199.11549	0.8
208.00185	0.6
209.00853	0.8
209.15475	2.1
213.09256	1.2
214.02589	0.5
225.11363	1.5
227.12895	2.9
231.10234	1.5
241.10693	0.8
255.02757	0.6
257.03793	0.6
257.08160	0.9
267.10770	2.8
269.13895	0.7
275.09186	0.6
286.04004	0.6
287.05591	0.5
287.09305	0.5
287.14963	7.0
370.20828	0.5
389.17422	1.1
389.21881	15.2
390.22281	1.0
431.19177	1.7
431.91443	0.6
449.09991	2.9
449.20258	100.0
450.20532	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	449.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.6
57.03457	1.5
58.00597	0.9
59.01380	65.9
59.36773	0.5
60.01706	0.9
61.98834	14.6
65.59201	0.5
68.25065	0.5
69.03432	0.9
69.73589	4.0
71.01387	18.1
72.99291	1.0
73.02945	5.5
75.00874	0.6
83.01413	2.1
85.02962	6.1
87.00892	1.3
87.04520	1.3
89.01906	1.0
89.02457	16.7
93.03475	1.1
95.01405	1.3
99.00906	0.9
101.02458	13.5
105.05595	2.0
108.02213	0.9
109.02999	0.6
113.02472	8.9
119.03522	7.9
120.99660	2.6
123.04573	1.1
125.02507	1.3
129.01964	0.6
131.03542	0.7
131.38675	0.5
135.04562	2.0
135.08165	2.8
137.02492	1.4
137.09737	11.2
139.04089	0.6
139.11327	2.4
143.03534	2.0
149.04552	1.0
151.00415	0.7
153.09282	1.2
155.10805	69.6
156.11098	2.6
160.04053	1.9
161.02571	0.5
161.04613	4.5
163.00340	0.6
163.11308	0.7
167.03532	1.6
169.12376	0.8
173.04573	1.7
177.01938	0.5
178.99919	0.5
179.05621	5.4
181.08711	2.5
181.12370	1.6
183.10287	4.1
188.32602	0.5
191.05688	1.5
199.09769	12.7
199.11549	0.8
208.00185	0.6
209.00853	0.8
209.15475	2.1
213.09256	1.2
214.02589	0.5
225.11363	1.5
227.12895	2.9
231.10234	1.5
241.10693	0.8
255.02757	0.6
257.03793	0.6
257.08160	0.9
267.10770	2.8
269.13895	0.7
275.09186	0.6
286.04004	0.6
287.05591	0.5
287.09305	0.5
287.14963	7.0
370.20828	0.5
389.17422	1.1
389.21881	15.2
390.22281	1.0
431.19177	1.7
431.91443	0.6
449.09991	2.9
449.20258	100.0
450.20532	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	449.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
59.01378	61.5
60.01713	0.5
61.37664	0.3
61.98831	2.3
64.33348	0.3
68.85562	0.4
69.35207	4.0
71.01382	4.4
73.02945	2.7
83.01392	1.4
85.02942	0.8
89.02443	3.0
97.06522	0.4
99.04526	2.1
101.02454	2.6
106.46521	0.3
109.83141	0.4
113.02494	2.6
119.03524	0.6
137.02460	0.3
152.01180	0.5
160.70862	0.3
161.04539	0.6
165.12831	1.8
167.03543	1.1
167.10898	0.7
179.05608	0.5
179.95706	0.4
207.13901	4.9
209.11827	6.1
210.12202	0.4
225.14946	7.9
227.12888	32.1
228.13171	2.2
251.12836	1.6
269.13934	16.2
270.14163	1.0
275.47833	0.4
275.96091	0.4
281.06555	0.5
287.14996	100.0
288.15329	7.1
293.13791	0.5
300.29684	0.4
311.14972	0.8
312.42206	0.4
329.16049	5.2
359.17151	1.9
371.16727	0.4
381.84500	0.4
389.18024	8.1
389.25919	0.4
449.20276	19.9
450.20779	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	449.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66234	0.2
57.03440	0.3
58.00604	0.3
59.01381	7.1
61.98824	0.2
67.01894	0.7
68.99811	0.4
69.03453	0.3
71.01386	4.3
71.12502	0.2
71.43070	0.5
72.99312	0.5
73.02966	1.1
73.03339	0.2
79.01900	0.5
81.03448	0.4
83.01398	0.5
85.02958	1.5
87.00896	0.6
89.02464	2.9
93.96866	0.2
95.01394	1.8
97.02946	0.4
99.00864	0.3
101.02460	2.6
103.04041	0.3
107.01411	3.9
107.04996	0.2
111.00897	1.3
113.02470	1.7
117.05619	0.3
119.03520	1.0
123.00906	12.4
123.04568	0.2
124.01697	0.7
125.02467	16.9
126.02773	0.4
127.00437	0.4
135.06659	1.5
136.98834	0.8
137.02477	0.3
139.00381	3.3
140.01184	2.3
141.01994	1.7
141.98947	0.2
150.54201	0.2
151.00395	10.4
151.03987	0.4
153.01944	0.6
163.04048	0.4
167.00035	0.2
167.03546	0.4
168.00652	3.1
169.01447	25.9
170.01802	0.7
179.03513	0.7
211.02487	5.7
212.02954	0.2
223.02547	0.3
241.03719	0.3
253.03456	0.5
269.06796	0.4
271.04562	9.8
272.04938	0.5
313.05682	2.7
331.06766	0.5
339.87262	0.2
369.90555	0.2
449.12994	100.0
450.13367	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	449.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67951	0.2
57.03428	0.4
59.01378	6.4
60.53951	0.2
61.22470	0.2
61.98830	0.2
67.01888	0.6
68.99837	0.2
69.03455	0.5
71.01032	0.4
71.01387	4.8
71.16504	0.7
72.99308	0.3
73.02950	0.9
77.72897	0.2
79.01891	0.9
81.03457	0.3
83.01382	0.8
85.02937	1.5
87.00878	0.5
87.04507	0.5
89.02457	2.8
95.01402	2.0
97.02942	0.8
99.00882	0.6
101.02451	3.7
107.01397	4.1
111.00886	1.8
113.02474	1.8
116.92857	0.8
117.05589	0.9
119.03500	0.8
123.00898	13.7
124.01678	1.0
125.02456	18.2
126.02783	0.6
127.00363	0.7
135.06664	1.4
136.98833	0.9
137.02423	0.4
139.00391	3.5
140.01173	2.3
141.01942	2.3
143.03485	0.3
151.00386	11.5
151.03976	0.3
153.01974	0.6
155.03537	0.3
163.04002	0.5
165.45424	0.3
168.00656	3.0
169.01437	25.7
170.01790	0.5
173.04364	0.2
178.92967	0.3
179.03546	0.4
179.08156	0.2
181.04965	0.3
191.03584	0.3
209.04657	0.3
211.02467	3.4
223.02438	0.5
253.03433	0.4
269.06604	0.6
271.04553	5.9
272.04861	0.3
293.19598	0.2
313.05716	2.2
314.05811	0.3
449.12967	100.0
450.13293	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	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22049	0.5
50.70092	0.5
55.01880	0.5
57.03458	1.5
59.01380	84.9
60.01716	1.1
61.98831	3.7
70.67359	1.1
70.67709	1.3
71.01382	5.7
73.02952	4.0
83.01400	3.9
83.05075	0.6
85.02965	1.9
87.00890	0.6
89.02454	4.6
92.46887	0.6
95.01430	0.7
97.06603	0.7
98.20550	0.6
99.04532	4.0
101.02458	4.7
113.02498	2.7
119.03576	0.9
131.48424	0.6
135.22758	0.6
161.04607	0.7
165.12842	2.9
167.03543	0.7
167.10799	0.6
191.05418	0.5
197.46170	0.5
207.13936	8.3
209.11832	13.1
209.13724	0.8
213.87794	0.7
225.14978	10.6
227.09589	0.7
227.12907	39.2
228.13193	2.3
251.12878	2.6
269.13940	39.6
270.14175	2.4
280.60141	0.5
287.15012	100.0
288.15353	6.5
293.13809	1.1
311.15112	1.3
329.16016	7.3
330.16534	0.6
359.17188	3.8
389.13110	0.7
389.18164	14.2
390.18686	1.7
449.20258	35.9
450.20694	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	449.1092
Annotation	Macrocarposide
Peak:m/z	Relative Intensity
57.03438	0.4
58.00569	0.4
59.01381	25.8
60.01709	0.8
61.98835	19.9
67.09599	0.3
69.03457	0.5
71.01385	5.3
71.73615	0.7
72.99314	0.4
73.02958	2.2
81.03477	0.8
83.01391	0.6
85.02956	3.3
87.00884	1.2
89.02459	3.2
91.01839	0.4
93.03474	4.2
94.22759	0.4
95.01424	1.0
97.02967	0.5
99.00902	0.6
101.02467	3.7
104.44125	0.4
105.01905	0.6
107.05075	0.4
108.02191	100.0
109.02991	25.8
109.03527	0.3
110.03289	0.5
112.00365	0.4
113.02465	2.3
113.06063	0.5
115.04007	0.7
119.03519	1.2
120.14929	0.4
120.99670	0.9
121.02969	1.2
123.00932	1.1
123.04514	0.9
125.02488	1.2
133.02986	0.8
134.03766	0.5
135.00908	0.6
135.04527	1.1
137.02467	12.3
137.09756	1.7
138.02786	0.4
139.00450	0.4
143.03497	0.6
147.04633	0.4
151.03995	3.0
152.01178	50.8
153.01964	21.7
154.02260	0.7
155.10823	4.3
159.02959	0.6
161.04581	2.7
161.44672	0.4
163.04057	1.3
165.01971	1.2
167.03484	1.0
169.01447	0.6
173.04576	0.8
177.01910	0.4
179.03543	0.5
179.05585	0.9
187.07726	0.4
191.05647	3.0
199.09840	1.0
199.13400	0.8
205.45938	0.5
209.01054	0.6
211.97208	0.4
225.14967	0.5
227.12901	2.1
231.10181	0.6
251.12904	0.4
257.08331	0.5
275.09259	0.6
287.15063	3.7
389.17416	0.7
389.22162	2.6
390.22522	0.5
431.26144	0.4
449.10864	73.3
449.20297	10.0
449.27493	3.4
450.11279	7.1
450.20480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.2
59.01381	17.4
60.01715	1.1
61.98833	100.0
62.98495	0.2
63.02391	0.2
63.62177	0.2
71.01391	2.7
71.05026	0.3
71.71956	0.4
72.01699	0.3
72.99305	0.3
73.02946	1.0
73.80302	0.2
75.00904	1.1
83.01396	0.5
85.02964	1.2
87.00908	0.5
89.02455	1.2
93.03474	0.6
101.02451	1.6
102.98621	0.3
107.01399	0.5
109.02964	0.3
113.02470	1.0
119.03474	0.5
125.02446	0.3
135.00941	0.3
137.02472	0.6
137.09734	0.2
138.02826	0.2
144.05402	0.2
145.02974	0.3
147.04623	0.3
149.89398	0.3
151.00395	1.2
151.70273	0.2
152.00781	0.6
153.01955	0.6
155.03610	0.3
155.10789	1.0
161.02458	0.3
161.04584	0.8
165.01990	0.3
169.01448	0.3
173.04573	1.0
173.05878	0.2
174.03268	0.4
175.03865	0.3
177.01891	0.4
179.03557	0.3
179.05675	0.5
183.04503	0.7
184.04895	0.5
185.06104	0.3
187.07677	0.9
191.05643	1.0
199.09743	0.4
200.04741	0.3
201.05586	0.3
209.11862	0.4
211.03970	0.6
211.13492	0.4
212.04347	0.7
212.13661	0.3
213.05435	0.2
213.09172	0.7
225.15033	0.7
227.01640	0.4
227.03502	22.4
227.12874	2.9
228.03844	35.1
229.03902	1.7
230.05367	0.6
231.06508	0.3
231.10236	0.6
242.05519	0.3
242.99428	0.2
255.02980	25.1
256.03333	47.8
257.03915	6.4
257.08017	0.3
258.04678	0.9
267.58890	0.3
269.13864	1.0
270.98898	0.7
271.99182	1.6
275.09341	0.7
283.98654	0.3
284.03262	17.1
285.03653	43.9
286.04297	14.4
286.07657	0.4
287.04623	0.8
287.15039	4.9
298.98334	0.9
299.98987	5.4
300.99469	8.3
301.99759	0.8
314.00580	0.4
315.01352	3.7
316.01813	7.3
317.01984	0.7
328.05344	0.9
329.15997	0.4
388.20438	0.6
389.18091	0.6
389.22327	0.4
416.70050	0.3
448.09909	73.3
449.10208	7.8
449.20020	6.1
449.27362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
57.03441	0.3
59.01380	27.9
60.01709	1.7
60.52594	0.2
61.98832	100.0
71.01384	2.7
71.71529	0.2
72.01718	0.3
72.99311	0.3
73.02946	0.9
80.80530	0.2
83.01371	0.6
85.02961	1.5
87.00868	0.4
89.02446	2.0
90.02745	0.2
95.01384	0.2
99.00870	0.2
99.04513	0.3
101.02460	2.6
108.02184	0.3
109.02945	0.2
113.02470	1.7
114.02775	0.2
119.03541	1.0
123.38713	0.2
125.02353	0.2
129.29532	0.2
134.02486	0.3
135.04521	0.4
143.03497	0.3
153.01877	0.2
161.04584	1.7
162.04874	0.3
165.12869	0.2
173.06097	0.2
176.01189	0.2
179.05609	0.6
180.07921	0.5
187.07628	0.4
189.55710	0.2
191.05621	1.1
207.13879	0.5
209.00981	0.2
209.11795	0.5
225.14958	1.2
226.15279	0.3
227.07097	0.3
227.11017	0.2
227.12912	2.9
227.16515	0.3
231.10204	0.4
238.09196	0.2
241.56401	0.2
256.03540	0.2
269.13754	0.8
270.98959	0.3
271.99075	0.3
275.09018	0.7
286.00714	0.4
287.14996	9.0
298.98273	0.5
299.09128	0.3
299.98798	1.3
300.99542	1.2
302.00034	0.4
314.00244	0.4
314.07593	0.3
315.00821	0.7
329.10245	0.4
329.15939	0.5
330.10934	0.5
344.04639	0.2
344.12399	0.7
345.13470	1.7
348.48920	0.2
357.13174	0.5
359.16650	0.3
366.57251	0.2
370.79672	0.2
388.20602	1.4
389.21899	3.9
404.10852	0.3
419.16797	0.8
448.05695	2.2
448.22809	0.4
449.05295	0.3
449.10709	0.4
449.19534	1.2
449.27112	0.6
456.51297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81101	0.2
54.65004	0.2
55.13106	0.2
57.21895	0.2
59.01380	8.0
60.01702	0.6
61.98833	100.0
65.16046	0.2
69.67254	1.6
71.01392	1.1
72.99335	0.3
73.02924	0.2
81.43481	0.2
82.73378	0.2
85.02980	0.6
88.83984	0.2
89.02472	0.7
101.02477	1.2
113.02499	0.4
121.03008	0.4
135.04538	0.3
137.02446	0.2
138.06853	0.2
153.09212	0.5
154.09590	0.2
161.04593	1.1
162.04897	0.2
173.24857	0.2
225.14987	0.6
226.15298	1.0
226.17465	0.3
230.29396	0.2
299.99103	3.2
300.99493	6.2
302.00150	1.6
385.11349	0.4
388.20557	1.2
389.21759	1.9
448.06012	4.6
448.22858	0.2
449.06024	0.4
449.11545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
57.06102	0.2
59.01379	20.8
60.01709	1.7
61.98830	100.0
63.28614	0.2
71.01375	2.5
71.69973	0.4
72.01707	0.3
72.99339	0.4
73.02952	1.2
75.00877	1.5
81.35896	0.2
83.01404	0.7
85.02940	1.1
87.00880	0.5
89.02451	2.2
93.03471	1.5
99.00882	0.3
101.02442	1.7
102.02805	0.3
102.98643	0.3
107.01392	0.4
113.02459	1.4
119.03548	0.8
119.05030	0.3
120.99670	0.2
121.03014	0.3
125.02467	1.0
135.00894	0.2
137.02469	0.8
137.09735	0.6
140.72243	0.2
145.02995	0.4
149.02519	0.2
151.00381	1.6
152.00714	0.4
153.01888	0.3
155.10786	2.3
159.04492	0.2
160.04095	0.3
161.04547	0.9
163.00397	0.4
165.01974	0.4
169.01517	0.4
172.05276	0.2
173.04555	2.1
174.03253	0.3
177.01877	0.3
178.99896	0.5
179.05589	0.4
180.00188	0.3
183.04535	0.6
184.04880	0.4
185.06082	0.3
187.04057	0.3
187.07628	1.7
191.05644	1.4
197.05902	0.2
199.07993	0.5
199.09811	0.2
200.04514	0.2
202.06392	0.4
207.13925	0.3
209.11821	0.3
211.04042	0.7
211.19998	0.3
212.04370	1.1
213.09218	0.6
214.05821	0.3
225.15007	0.7
227.01613	0.3
227.03497	23.9
227.12831	2.9
228.03830	34.1
229.03870	1.8
230.05426	1.0
231.06633	1.1
231.10196	1.4
243.99748	0.3
255.00093	0.3
255.00833	0.3
255.02972	26.8
256.03320	51.7
257.03845	6.7
257.08124	0.5
258.04825	0.5
265.07062	0.3
269.13910	0.9
270.98889	0.7
271.99097	1.7
275.09344	1.3
284.03244	17.5
285.03638	43.0
286.04306	14.5
286.07660	0.4
287.04688	1.0
287.15033	6.0
298.98367	1.0
299.98972	6.0
300.99472	9.5
301.99768	0.7
314.00720	0.5
315.01367	4.1
316.01797	7.7
317.02075	0.9
328.05475	0.9
329.16238	0.3
388.20700	0.9
389.18069	1.0
389.22076	0.6
448.09891	75.6
449.10196	9.0
449.20062	7.1
449.26819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3116
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
52.57348	0.1
57.03444	0.2
59.01378	0.6
60.35275	0.1
61.98835	0.3
71.72912	0.3
78.95926	0.5
82.93156	0.1
85.06614	1.3
91.39690	0.2
95.05051	0.1
97.06618	0.4
109.06609	0.4
121.06615	0.2
123.08179	0.4
123.73204	0.1
151.11301	2.3
152.11676	0.2
152.99623	1.3
165.12874	0.5
165.17908	0.1
177.12877	0.4
179.14458	0.5
193.12392	0.4
195.13916	0.9
211.13388	0.3
221.15453	1.1
223.17110	0.2
235.16989	0.3
259.17081	0.2
275.20187	0.8
279.19595	1.4
343.22647	0.5
343.26431	0.2
345.24088	0.2
345.28040	0.3
371.25912	0.7
373.27539	3.0
374.27716	0.3
383.29584	0.2
385.27444	0.6
399.28915	0.3
401.30643	5.4
402.31021	0.5
403.32205	2.3
404.32565	0.4
413.27014	0.5
427.28848	0.4
429.30240	2.2
430.30573	0.4
431.28247	0.4
447.31180	100.0
448.31534	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99547	0.2
59.01378	2.9
61.98830	100.0
69.62152	1.2
69.62566	0.4
70.75893	0.2
71.01411	0.2
93.03511	0.2
98.19861	0.3
102.03659	0.2
119.03520	0.2
125.02478	0.2
135.04535	0.7
169.01416	0.3
191.48964	0.2
269.04355	0.2
293.51584	0.2
389.58578	0.2
398.26898	0.2
449.11215	0.7
460.24582	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
59.93503	0.2
61.98832	100.0
64.11571	0.2
71.01402	0.4
84.68896	0.3
89.02447	0.5
90.29064	0.2
98.20657	0.5
101.02430	0.3
125.02457	0.4
134.03554	0.3
142.46085	0.2
171.92891	0.2
259.06030	0.3
269.04797	0.2
365.03445	0.3
389.21872	0.4
407.84286	0.3
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
59.01372	2.1
60.01694	0.1
61.98831	100.0
64.10164	0.1
69.68165	0.4
69.68577	0.7
71.01392	0.6
89.02441	0.3
90.02847	0.2
91.02902	0.2
98.20653	0.1
101.02535	0.2
113.02440	0.2
119.03506	0.2
161.04584	0.2
179.05692	0.2
282.18057	0.1
315.98566	1.1
316.99710	0.2
428.30554	0.2
449.03613	0.4
449.10651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29504	0.2
57.03457	0.4
57.69326	0.2
59.01380	3.6
61.98827	1.9
70.88149	0.2
70.88469	0.4
71.01389	0.7
71.05022	0.7
78.95899	1.3
81.06620	0.2
82.14830	0.2
83.05018	0.6
85.06618	0.8
89.02496	0.3
95.04970	0.3
97.06602	1.3
109.06622	0.5
113.02480	0.2
123.08192	1.2
125.09756	1.3
137.09744	0.9
138.37778	0.2
139.07713	0.4
152.99606	2.6
153.09233	2.0
153.12921	0.3
155.10750	1.2
211.13448	0.7
215.55090	0.2
233.19133	0.3
255.03136	0.4
263.20160	0.8
275.16599	0.8
275.20154	0.8
277.18027	2.5
278.18518	0.4
279.19669	0.5
284.03323	0.3
291.19653	15.3
292.20065	0.8
293.21234	3.0
299.99210	1.0
301.03433	0.3
311.08392	0.3
354.37778	0.3
361.27698	0.3
373.27728	0.6
385.27054	0.5
385.31522	0.3
387.20432	0.4
387.29172	0.6
391.28540	2.3
401.26813	0.3
401.30847	2.5
403.28064	0.4
403.32306	0.7
410.09708	0.2
417.29797	0.5
427.28351	0.3
429.30237	2.9
430.30350	0.3
431.27612	0.3
447.31232	100.0
448.31573	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	447.3116
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
57.03440	0.2
57.40936	0.2
58.92662	0.2
59.01383	1.3
60.16218	0.2
61.98811	0.3
66.70153	0.2
69.43488	0.3
69.43899	1.8
71.01357	0.4
71.05014	0.5
73.02980	0.2
83.05036	0.2
85.06604	1.6
95.05044	0.3
97.06599	1.3
98.19890	0.4
107.12650	0.2
117.03474	1.6
119.05035	4.4
120.05338	0.2
123.08124	0.2
137.09785	0.3
139.07660	0.2
141.09235	0.4
145.02968	10.1
146.03265	0.4
151.11307	1.1
153.12830	0.6
163.04041	4.0
164.04417	0.2
167.10736	0.5
191.10922	0.2
193.12349	0.6
195.13902	1.7
196.14212	0.2
207.13908	1.4
209.15483	3.5
210.15877	0.3
211.13345	0.4
221.19019	0.5
233.15442	0.2
235.17014	0.4
237.14981	0.9
245.15436	0.6
249.18648	0.3
258.38480	0.2
259.16977	0.3
260.17624	0.4
261.18484	0.4
265.18063	0.7
278.18973	0.2
279.19751	0.7
283.19110	0.9
299.99200	0.2
301.20181	1.8
302.20428	0.3
307.19171	0.2
307.22668	0.9
329.24783	0.8
335.20602	0.3
373.27222	0.2
383.29324	0.5
385.31229	1.2
401.30701	0.7
403.28122	0.5
403.32724	0.4
403.87943	0.2
411.29141	1.1
419.31631	0.3
429.30109	7.0
430.30157	1.1
445.29297	0.3
447.24368	6.7
447.31119	100.0
448.24448	1.1
448.31439	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51004	0.2
55.53024	0.2
56.50865	0.2
59.01369	1.5
61.98834	0.6
71.01395	0.3
71.02789	0.4
78.95909	4.9
104.97492	0.2
110.98544	4.3
123.59422	0.2
149.06065	0.3
152.99594	0.6
161.04547	0.2
167.01170	2.2
182.73338	0.2
185.02217	3.5
211.13350	0.2
261.22244	0.5
279.23276	100.0
280.23633	9.1
355.12759	0.2
374.22684	0.2
387.20044	0.2
447.25162	9.5
447.30618	0.3
448.25549	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	447.2751
Annotation	Xenortide B
Peak:m/z	Relative Intensity
57.03450	1.7
59.01377	17.2
60.99298	1.7
61.98831	6.7
70.90751	2.0
71.01382	2.1
73.02940	1.0
78.95915	5.7
83.05053	0.8
85.02963	0.7
85.06606	1.7
89.02464	2.0
95.05009	0.6
96.96026	0.9
97.06615	1.2
101.02449	1.3
111.08184	0.6
113.02480	0.9
128.06097	0.6
132.48209	0.6
137.09746	0.8
149.09630	0.6
149.97639	0.7
152.99603	12.9
161.90166	0.6
162.83897	1.1
163.11287	0.8
193.12273	0.8
211.13441	6.8
219.17641	0.6
223.13336	0.8
225.15100	0.8
227.03487	0.8
243.17166	0.9
249.18700	0.8
253.09334	1.0
255.03011	1.8
257.05582	0.8
284.03186	1.1
284.47498	0.6
285.04074	0.8
295.20605	2.9
296.21216	0.7
297.18610	0.9
299.99106	4.1
300.02350	1.1
300.99857	2.1
306.93414	0.7
309.22488	0.7
311.23816	2.4
313.21600	2.1
325.25375	10.7
326.25821	1.1
327.23380	3.0
329.24979	1.3
343.26398	8.3
351.23373	1.8
367.26193	1.0
369.24246	4.5
371.22339	0.7
373.27512	2.3
385.27399	9.8
385.31665	1.3
386.27890	1.1
387.20435	1.3
387.25397	7.4
388.20599	0.6
388.25568	1.3
401.30612	2.4
403.27536	4.0
403.33118	5.7
406.32553	0.7
429.25818	17.3
430.26651	1.7
447.27203	100.0
447.31549	85.7
448.27539	11.8
448.31891	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	447.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.5
58.00595	0.9
59.01380	99.4
60.01715	2.6
60.20655	0.3
61.01805	1.3
61.98832	100.0
69.73763	2.4
70.95641	0.3
71.01385	17.3
72.01734	0.7
72.99310	1.0
73.02950	1.1
83.01423	0.6
85.02960	2.8
87.00864	1.1
88.98805	1.4
89.02454	27.8
90.02785	1.0
91.02881	0.7
95.01408	1.1
97.02988	0.4
98.19910	0.3
99.00896	0.7
101.02457	10.8
102.02785	0.5
103.20839	0.3
113.01694	0.5
113.02464	9.4
114.02808	0.6
119.03516	12.0
120.03829	0.4
125.02461	0.7
127.26749	0.4
131.03517	1.8
137.09698	0.6
143.03529	3.8
149.04538	1.3
153.63417	0.4
159.02966	0.5
161.03416	0.5
161.04576	6.2
179.05630	15.7
180.05907	0.8
181.05963	0.5
195.13965	0.4
205.12276	0.5
225.14989	1.7
285.97540	0.5
299.99252	0.4
387.20129	6.5
447.01346	0.7
456.28809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.5
58.00595	0.9
59.01380	99.4
60.01715	2.6
60.20655	0.3
61.01805	1.3
61.98832	100.0
69.73763	2.4
70.95641	0.3
71.01385	17.3
72.01734	0.7
72.99310	1.0
73.02950	1.1
83.01423	0.6
85.02960	2.8
87.00864	1.1
88.98805	1.4
89.02454	27.8
90.02785	1.0
91.02881	0.7
95.01408	1.1
97.02988	0.4
98.19910	0.3
99.00896	0.7
101.02457	10.8
102.02785	0.5
103.20839	0.3
113.01694	0.5
113.02464	9.4
114.02808	0.6
119.03516	12.0
120.03829	0.4
125.02461	0.7
127.26749	0.4
131.03517	1.8
137.09698	0.6
143.03529	3.8
149.04538	1.3
153.63417	0.4
159.02966	0.5
161.03416	0.5
161.04576	6.2
179.05630	15.7
180.05907	0.8
181.05963	0.5
195.13965	0.4
205.12276	0.5
225.14989	1.7
285.97540	0.5
299.99252	0.4
387.20129	6.5
447.01346	0.7
456.28809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01377	11.6
61.09664	0.5
61.98828	4.4
69.03477	0.5
70.81870	1.0
71.01375	1.1
71.05025	1.5
72.99285	1.1
75.21812	0.4
78.95912	2.5
83.05048	0.5
85.06603	1.1
86.55295	0.4
87.00883	1.5
87.04533	0.6
89.02440	0.8
96.96043	0.5
97.06597	0.9
101.02421	0.6
109.06645	0.7
111.08182	0.4
113.02437	0.9
117.03477	14.8
118.03789	0.6
119.05035	47.2
120.05367	2.0
135.04582	0.6
145.02966	100.0
146.03305	4.8
152.99608	3.0
153.12958	0.7
155.07162	0.9
161.02449	0.5
161.04553	1.1
163.04022	39.8
164.04381	2.1
204.87309	0.5
211.13429	2.2
221.19102	7.7
222.19421	0.9
227.03604	0.7
233.01730	0.5
239.20148	0.9
255.02922	0.9
261.97015	0.4
265.18109	5.7
266.18408	0.6
283.19128	9.0
284.03232	0.5
284.19547	0.6
285.04077	0.6
299.99130	2.5
300.02753	0.6
300.99966	1.4
301.20197	21.4
302.20554	2.0
316.48630	0.6
341.24744	0.7
359.22141	0.7
373.27441	1.0
383.29730	0.8
385.31213	1.3
387.20184	1.1
387.24933	0.5
391.28528	1.4
401.30576	2.0
403.27792	0.8
403.33014	2.3
411.28546	0.5
415.28232	0.7
419.31824	0.7
429.30069	6.5
430.30545	0.9
447.23886	58.3
447.31082	87.9
448.24246	7.7
448.31451	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03439	0.5
59.01380	100.0
60.01706	1.2
61.98831	6.0
69.68557	0.5
69.68955	1.6
71.01385	8.8
72.99332	0.6
73.02930	2.4
83.01392	1.2
85.02960	3.1
87.00896	0.4
89.02455	4.0
89.33428	0.3
94.33054	0.3
95.01426	0.4
97.02976	0.3
99.00911	1.1
101.02459	7.5
101.03081	0.5
113.02477	4.0
119.03518	1.9
131.03583	0.3
143.03555	0.9
146.11751	0.3
159.02995	0.8
161.04573	9.6
162.04909	0.3
179.05670	1.1
205.03419	0.4
219.08267	0.5
225.15071	0.6
237.09309	0.9
253.08849	1.1
263.07172	0.4
269.08105	0.3
281.08237	0.6
298.98523	0.6
299.09326	1.1
299.99170	2.3
300.99951	0.5
313.00003	0.3
314.00745	0.4
315.08740	0.7
343.08374	0.5
387.20261	18.1
388.20541	2.0
403.10373	2.0
431.19568	0.6
447.06015	1.4
447.22476	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.3
58.00581	0.7
59.01382	100.0
60.01719	0.7
61.98845	2.0
66.23134	0.7
69.58443	2.4
69.58871	2.8
71.01389	20.0
72.99306	0.9
73.02962	2.1
81.40093	0.6
83.01409	1.7
85.02962	3.8
87.00869	1.0
89.02454	21.6
95.01414	1.2
98.19758	0.8
99.00897	1.0
100.37622	0.7
101.02455	14.3
101.03075	1.1
107.82210	0.7
113.02470	8.7
119.03516	10.2
131.03528	1.1
141.26555	0.6
143.03539	2.8
149.04585	0.9
161.04585	10.4
179.05603	8.9
179.10767	0.7
183.37737	0.7
207.13896	0.7
213.32982	0.6
224.94762	0.7
225.15009	2.2
228.19073	0.6
242.99324	0.8
270.98840	5.8
298.98309	7.5
299.99130	32.8
300.99469	2.7
314.00784	3.4
315.01447	22.2
316.01752	1.6
387.20239	30.2
388.20612	1.5
447.05655	26.5
447.18661	1.9
448.06024	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48401	0.3
57.03452	0.4
57.43770	0.3
58.00596	0.6
59.01381	100.0
60.01719	0.3
61.98827	3.6
71.01389	6.0
72.99306	0.3
73.02962	0.8
75.00915	0.3
85.02966	1.4
87.00896	0.6
89.02456	8.2
89.02982	0.6
95.01407	0.4
95.54367	0.3
101.02461	3.6
113.02478	2.3
119.03517	3.4
120.99744	0.4
123.00922	0.4
125.02464	0.4
131.03564	0.7
135.04565	0.9
137.02515	0.3
143.03526	0.9
145.02962	1.8
151.00398	0.4
161.04602	1.6
179.05664	3.3
179.10854	0.3
211.13438	1.3
223.08208	0.4
225.15045	0.4
227.03503	3.3
241.09998	0.4
255.02975	4.0
256.03616	0.5
271.02496	0.4
284.03290	3.5
285.03885	2.0
298.98441	0.5
299.99368	2.5
300.02621	0.5
300.99838	0.9
301.03497	0.5
315.01596	0.7
387.20349	1.4
447.09567	5.7
447.18085	2.0
447.26590	0.4
448.09995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
53.18760	0.5
55.01876	1.9
57.03458	2.5
59.01077	1.1
59.01379	17.9
61.98828	5.0
69.62024	4.2
69.82027	0.5
71.01387	19.0
71.04987	0.6
72.99306	0.6
73.02950	8.2
75.00883	1.2
75.04517	0.6
83.01410	2.7
85.02958	11.2
87.00903	1.2
89.02451	2.6
95.01400	1.6
97.06602	1.3
99.00909	2.7
101.02451	19.9
106.15625	0.5
111.00852	0.7
111.08189	3.6
113.02461	9.9
119.03511	0.7
125.02397	1.4
126.12030	0.5
129.01860	0.7
131.48874	0.6
137.09720	0.5
143.03552	0.8
147.78648	0.6
153.09206	1.0
159.02988	1.8
161.04568	7.1
165.12856	33.3
166.13210	1.4
181.12428	1.1
183.13913	92.0
184.14211	3.9
191.10522	0.7
197.15450	0.8
209.11830	4.0
210.12077	0.7
211.13435	2.6
225.14764	0.6
227.03487	1.2
227.12868	5.8
229.98628	0.7
230.99345	1.3
237.09801	10.2
238.09999	0.8
255.02998	1.5
283.06186	0.8
284.03323	0.6
285.97537	1.0
299.99026	2.5
300.02448	1.2
301.00067	0.7
301.03519	0.7
302.97888	1.2
318.00238	1.2
383.04034	0.8
387.20172	0.7
388.07849	0.8
388.88925	0.6
403.10324	0.6
406.70609	0.6
415.06076	0.6
429.21274	0.6
447.09851	7.5
447.22327	100.0
448.09439	1.1
448.22708	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	447.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
58.00597	2.1
59.01379	59.1
61.98825	1.2
69.03456	1.7
69.72604	2.8
69.73017	1.6
71.01385	36.7
72.01720	0.8
72.99315	3.0
73.02959	1.7
78.91906	1.0
81.03461	1.3
83.01394	2.0
85.02963	6.3
87.00890	2.2
88.98841	1.0
89.02451	49.2
93.03471	8.4
95.01421	3.1
97.02962	2.6
98.19935	1.4
101.02457	22.8
107.01385	4.0
111.00883	2.3
113.02466	13.5
115.04007	1.1
119.03522	15.3
121.02942	1.6
122.06142	1.4
123.00903	6.8
123.04546	2.3
124.01681	2.8
125.02465	34.5
127.00384	1.3
131.03516	4.3
133.05084	3.8
136.98775	1.4
137.02472	8.2
139.00366	2.6
139.04018	1.2
140.01175	2.7
143.03522	2.5
149.04576	4.3
149.99571	1.9
151.00385	4.7
151.04059	0.8
153.01939	1.5
153.05551	1.2
161.04568	4.2
166.05103	1.0
167.03522	4.9
168.00647	14.3
169.01443	34.5
170.01871	0.7
179.03497	1.4
179.05659	3.3
206.90103	0.7
209.04623	1.0
211.02492	40.0
212.02802	1.8
241.03429	1.2
243.32903	0.8
271.04575	36.3
272.04965	2.0
281.06711	0.8
293.08762	10.2
295.10339	79.4
296.10681	5.3
299.99106	1.4
300.99985	1.4
309.97580	0.6
313.05682	2.9
318.69705	0.8
328.99289	1.7
331.06735	2.6
356.98709	1.1
447.10889	100.0
448.11191	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62334	0.7
55.01866	0.8
57.03455	1.7
58.00583	1.1
59.01380	37.0
61.98815	3.0
67.01891	0.8
68.99807	1.0
69.03446	2.0
69.78977	1.2
69.79383	3.2
70.36950	0.6
71.01388	23.1
72.01708	1.0
72.99302	1.1
73.02946	3.1
74.79713	0.7
75.00878	1.0
81.03459	1.9
83.01384	2.7
85.02958	9.6
87.00877	4.1
87.04517	2.4
88.98833	0.9
89.02456	22.5
91.01900	4.5
93.03456	2.1
95.01389	4.1
97.02961	1.6
99.00887	1.9
101.02463	12.8
107.01411	3.8
108.02187	4.0
109.02948	2.7
111.00894	3.9
113.02464	14.8
115.04066	1.0
116.92899	3.3
117.05587	0.8
119.03513	9.0
123.00906	8.8
123.04544	24.3
124.01691	8.2
124.04865	1.2
125.02464	48.0
126.02792	1.6
127.00407	0.9
131.03537	1.5
133.05084	10.0
135.06633	2.9
136.01733	0.9
137.02441	4.8
139.00375	2.2
140.01152	2.7
143.03508	2.0
149.02527	0.8
149.04605	1.2
149.98463	1.3
149.99593	14.2
151.00403	6.1
152.01189	5.0
153.01935	1.2
154.01508	1.5
161.02428	1.2
161.04590	4.7
163.07680	1.1
165.01924	1.1
166.02708	1.8
167.03516	71.6
168.00662	39.1
168.03831	2.7
169.01439	34.9
170.01753	0.9
179.03441	0.8
179.05673	3.3
180.02518	0.8
181.05048	1.3
193.01404	0.7
193.05040	0.7
194.02232	0.9
195.02885	1.2
196.56985	0.7
203.10773	1.8
209.04562	11.1
211.02483	29.3
212.02753	1.1
221.11835	3.1
229.01421	0.8
239.05603	1.6
251.05634	1.2
269.06644	2.8
270.98688	1.0
271.04584	25.2
272.04926	1.2
293.08728	1.2
295.10349	28.0
296.10703	1.9
299.99213	5.6
300.99860	9.5
302.00269	0.7
311.07709	1.5
312.99768	1.4
313.05664	5.1
326.97662	1.7
328.99426	10.6
329.47650	0.8
331.06537	1.5
340.99243	1.2
356.98859	11.0
357.99286	2.0
359.00513	1.0
359.07907	2.0
387.20221	1.0
447.02640	7.4
447.10287	100.0
447.15842	32.7
448.11716	10.0
448.16214	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20381	0.6
59.01378	58.5
61.98819	6.0
64.12157	0.6
65.00332	0.7
69.37255	2.4
69.37687	3.8
71.01373	4.2
71.65408	0.6
72.12206	0.6
81.62083	0.6
83.01353	1.2
85.02943	1.5
87.00908	0.6
89.02450	5.4
93.03427	1.0
98.17416	0.6
99.00885	0.6
99.04366	0.6
101.02443	2.3
107.01379	1.0
113.02482	3.1
118.71364	0.6
119.03508	2.2
123.53136	0.6
132.02191	0.6
143.03532	0.9
151.00374	2.0
161.04570	1.9
163.00282	0.7
179.05598	2.6
183.04477	1.0
185.06143	1.0
187.03964	0.9
187.64925	0.6
211.03967	1.3
211.13329	0.7
216.00717	1.1
225.11375	0.8
227.03494	57.4
228.03845	3.5
229.05072	2.4
242.99294	0.9
244.00111	1.1
255.02972	77.8
256.03586	9.4
257.04358	1.7
270.98834	18.9
271.99249	1.3
284.03238	70.4
285.03943	24.0
286.04428	1.6
298.98349	25.5
299.99094	100.0
300.99573	7.9
314.00656	15.6
315.01443	79.6
316.01767	5.8
327.05063	0.7
387.20010	4.5
388.20660	0.6
447.04919	36.9
447.09332	69.0
447.22302	1.8
448.05386	5.0
448.09778	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	447.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33005	0.4
56.24051	0.5
57.40794	0.4
58.00592	0.9
58.36942	0.4
59.01383	20.3
60.44820	0.5
62.19704	0.4
66.74932	0.5
71.00882	1.3
71.01389	9.7
72.01713	0.5
72.99294	0.7
73.02941	1.6
83.01395	1.0
85.02961	3.2
87.00878	1.1
89.01904	0.6
89.02454	10.4
93.03455	0.7
95.01421	0.7
97.02933	0.5
101.02466	8.7
107.01398	2.9
109.02959	0.7
111.00878	1.9
113.02463	4.8
115.04010	0.7
119.03519	4.9
123.00900	4.9
124.01696	2.1
125.02464	20.4
126.02757	0.7
127.00300	0.6
131.03500	0.5
133.05099	2.4
136.98839	1.1
137.02437	3.3
139.00395	2.9
139.03973	0.8
140.01176	2.5
141.01909	1.1
143.03479	0.7
151.00378	3.9
153.01947	1.1
161.04553	1.9
165.01848	1.0
167.03557	1.0
167.99355	0.8
168.00665	9.7
169.01448	33.6
170.01701	1.0
179.03514	0.6
179.05539	0.9
180.04228	0.6
195.06628	0.7
211.02486	44.6
212.02866	2.3
217.85017	0.4
225.07690	2.0
241.03395	1.1
271.04578	45.0
272.04916	2.2
274.51334	0.6
295.10342	21.8
296.10602	1.4
313.05609	1.1
331.03204	0.5
331.06549	3.3
378.90118	0.5
385.11444	1.5
387.09290	10.7
429.10379	1.3
447.11346	100.0
448.11633	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20381	0.6
59.01378	58.5
61.98819	6.0
64.12157	0.6
65.00332	0.7
69.37255	2.4
69.37687	3.8
71.01373	4.2
71.65408	0.6
72.12206	0.6
81.62083	0.6
83.01353	1.2
85.02943	1.5
87.00908	0.6
89.02450	5.4
93.03427	1.0
98.17416	0.6
99.00885	0.6
99.04366	0.6
101.02443	2.3
107.01379	1.0
113.02482	3.1
118.71364	0.6
119.03508	2.2
123.53136	0.6
132.02191	0.6
143.03532	0.9
151.00374	2.0
161.04570	1.9
163.00282	0.7
179.05598	2.6
183.04477	1.0
185.06143	1.0
187.03964	0.9
187.64925	0.6
211.03967	1.3
211.13329	0.7
216.00717	1.1
225.11375	0.8
227.03494	57.4
228.03845	3.5
229.05072	2.4
242.99294	0.9
244.00111	1.1
255.02972	77.8
256.03586	9.4
257.04358	1.7
270.98834	18.9
271.99249	1.3
284.03238	70.4
285.03943	24.0
286.04428	1.6
298.98349	25.5
299.99094	100.0
300.99573	7.9
314.00656	15.6
315.01443	79.6
316.01767	5.8
327.05063	0.7
387.20010	4.5
388.20660	0.6
447.04919	36.9
447.09332	69.0
447.22302	1.8
448.05386	5.0
448.09778	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79011	0.3
57.03403	0.3
59.01379	6.1
61.98834	3.4
63.02403	0.3
63.71064	0.3
63.73034	0.3
65.00306	0.6
66.11090	0.3
70.31519	1.3
86.53304	0.3
89.02432	0.5
91.77071	0.3
107.01391	0.7
109.02985	0.3
125.02451	0.8
129.19626	0.3
142.94897	0.3
144.38362	0.3
151.00383	2.0
153.01898	0.4
159.04474	0.4
163.00372	0.6
165.98572	0.3
169.01437	0.3
174.03227	0.4
175.04150	0.3
178.99963	0.5
183.04507	1.0
185.06018	0.5
187.04033	0.7
197.06184	0.4
211.04019	1.9
213.05392	0.6
227.03510	70.6
228.03847	3.8
229.05061	1.6
239.03406	0.5
241.05055	0.6
255.02982	89.4
256.03616	11.3
257.04398	1.1
270.98834	0.8
284.03268	68.1
285.03995	24.0
286.04474	1.2
298.98361	1.1
299.99097	4.4
300.99673	0.6
314.00681	0.6
315.01517	3.7
327.05106	1.0
447.09415	100.0
448.09662	8.8
448.55350	0.4
458.29758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.6
60.39725	0.4
61.72172	0.3
61.98828	3.9
69.58350	1.0
69.58753	2.1
71.01375	2.1
85.02939	0.9
89.02441	2.8
93.03457	0.5
101.02448	1.7
113.02446	1.1
119.03496	0.8
141.99422	0.3
161.04578	1.1
179.05594	0.4
189.12996	0.4
200.01160	0.6
225.15112	0.5
228.00874	0.4
242.99341	1.7
244.00096	0.8
270.98834	16.3
271.99283	1.5
298.98331	26.4
299.99109	100.0
300.99481	7.1
312.99936	0.6
314.00690	12.1
315.01453	65.3
316.01801	5.0
328.99283	0.6
387.20044	3.5
447.05701	69.6
448.06003	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	447.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78918	0.4
59.00979	1.4
59.01444	41.0
61.98900	3.1
69.46606	1.6
69.47034	3.2
71.01462	3.6
73.02985	0.7
73.11516	0.4
85.02998	0.7
87.00967	0.5
89.02444	5.0
89.55591	0.5
95.81634	0.4
101.02485	2.4
113.02448	2.3
119.03506	2.6
153.09254	0.6
161.04605	0.9
162.19107	0.5
179.05602	2.8
216.00749	0.7
219.81442	0.5
227.03511	4.5
242.99300	2.4
244.00136	1.1
255.02946	4.8
256.03683	1.1
270.98822	19.4
271.99252	1.6
282.98819	0.5
284.03256	5.1
285.04010	1.9
295.37042	0.5
298.98331	22.5
299.99091	100.0
300.99469	8.9
312.99899	1.0
314.00671	16.8
314.61224	0.5
315.01443	86.1
316.01755	6.0
327.01526	0.6
329.61810	0.5
329.65845	0.5
387.20074	2.2
432.03265	0.6
447.05447	77.7
448.05853	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.057
Annotation	Eschweilenol C
Peak:m/z	Relative Intensity
56.67818	0.3
59.01089	0.5
59.01378	9.4
60.01677	0.3
61.98832	16.6
71.01379	1.3
71.49632	0.3
71.49963	0.4
72.84222	0.3
85.02937	0.3
89.02467	1.5
89.25288	0.3
90.65153	0.3
95.01427	0.3
101.02439	1.0
113.02466	0.8
119.03518	0.6
137.02469	0.6
148.01646	0.3
150.03175	0.3
160.01677	0.6
161.04575	0.7
172.01651	1.1
173.02336	0.3
176.01266	0.3
179.05655	0.3
179.10776	0.6
180.09686	0.2
180.11198	0.4
185.02403	0.4
188.01144	0.5
193.14096	0.3
200.01181	1.9
201.01752	0.6
205.12447	0.4
206.12634	0.5
207.12950	0.3
216.00638	3.2
217.00929	0.3
225.14984	0.5
226.99809	0.6
228.00623	0.7
229.01376	1.0
242.99286	1.5
243.87617	0.3
244.00104	2.9
245.00716	0.3
254.99600	0.3
257.00839	0.5
270.98798	0.8
271.99591	1.1
282.98944	0.5
283.99796	0.6
298.98376	1.4
299.99109	100.0
300.99805	28.6
302.00220	1.5
379.62903	0.3
387.20236	4.1
388.20966	0.3
447.05685	61.6
448.06021	6.5
465.79285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.2
61.98837	1.5
63.41849	0.3
71.01408	1.2
71.05036	0.3
72.99332	0.4
73.68642	0.3
79.01933	0.4
85.06617	1.0
89.02478	0.4
97.06615	1.2
110.70427	0.3
111.04501	1.4
115.04034	0.9
127.07682	2.8
135.08220	0.3
153.09233	0.3
209.11946	0.5
219.06700	0.7
233.08293	0.4
263.09366	1.2
287.20215	0.6
289.21750	0.4
311.20502	0.3
317.14096	0.6
339.23636	0.8
347.22565	0.4
349.25531	0.4
355.26474	0.7
357.28391	0.4
361.16763	0.4
365.28683	1.2
367.26468	0.6
371.26080	0.9
383.29785	1.3
385.27725	0.7
397.55664	0.3
399.29282	0.9
401.30695	27.3
402.31033	2.4
404.18158	0.3
409.27606	0.4
417.30222	0.9
427.28580	4.4
428.28857	0.5
445.29807	100.0
446.30121	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	445.3323
Annotation	9-hydroxycerevisterol
Peak:m/z	Relative Intensity
57.03437	0.6
59.01380	6.5
59.70268	0.3
61.98824	3.6
62.70054	0.3
69.43758	0.5
71.01394	1.0
71.67788	0.6
79.01910	0.4
79.86078	0.4
82.39962	0.3
89.02478	0.8
101.02470	0.7
108.11568	0.4
111.04576	1.2
113.02471	0.5
147.86130	0.4
149.09750	0.5
216.59975	0.5
219.06519	0.4
223.13615	0.4
226.51741	0.4
233.08167	0.9
239.83391	0.4
251.15140	0.4
263.09329	1.1
264.09430	0.4
317.13986	0.9
333.13617	0.5
365.28494	0.7
381.27841	1.5
381.31863	6.2
382.31891	0.9
383.29526	4.5
384.30112	0.5
385.18674	0.8
397.31149	4.3
398.31638	0.8
399.32889	1.5
400.32764	0.4
401.30618	1.0
401.35159	0.8
427.28741	0.5
445.33441	100.0
446.27814	0.6
446.33771	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	445.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40763	0.2
57.03450	0.4
59.01380	3.5
61.98831	1.6
67.07606	0.2
69.03432	0.2
71.01387	0.4
71.05006	0.3
83.05028	0.2
84.13448	0.1
85.02941	0.2
85.06599	1.1
88.98834	0.2
89.02453	0.3
95.05056	0.4
96.18921	0.1
96.96031	0.2
97.06629	0.4
107.01406	0.2
108.02178	0.2
109.06628	0.5
111.04523	0.7
111.08163	0.3
113.02431	0.2
120.05820	0.2
121.06631	0.6
123.08231	0.4
124.49128	0.2
135.08223	0.3
137.09741	0.4
139.47047	0.2
142.76451	0.2
149.09718	0.3
151.11310	2.6
152.99625	0.3
153.09245	0.4
163.11313	0.6
165.12823	0.8
177.12900	1.0
179.14458	0.7
189.13081	0.2
193.12312	1.0
193.15984	0.3
195.13907	1.6
205.12471	0.3
207.13931	0.3
209.11868	1.1
217.15941	0.2
219.06706	0.3
219.13869	0.3
220.07422	0.3
221.15414	1.2
223.16966	0.3
231.13863	0.2
233.08179	0.4
233.15443	0.2
239.43192	0.1
257.15317	0.2
259.16855	0.2
263.09344	0.7
275.20190	0.5
305.17676	0.3
317.13974	0.3
327.23404	0.2
333.13644	0.2
336.52359	0.2
339.23447	0.2
343.22729	0.4
343.26563	0.2
345.27936	0.2
355.26404	0.3
357.24280	0.2
367.26544	0.2
371.25824	1.4
383.25720	0.4
383.30035	0.3
385.18854	0.2
385.27667	0.9
399.29050	0.7
401.30734	1.7
402.31299	0.4
407.62598	0.2
427.28723	1.3
445.29706	100.0
446.30011	12.1
446.36322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2958
Annotation	CHEBI:68043
Peak:m/z	Relative Intensity
56.99207	0.4
57.03429	0.5
59.01379	5.2
59.60459	0.4
61.98825	2.8
67.57113	0.3
69.42822	4.1
71.01385	1.0
78.79639	0.3
83.20052	0.3
85.06586	2.3
89.02455	0.6
89.30878	0.4
97.06585	1.2
101.02419	0.5
111.04533	1.1
115.61179	0.4
123.08201	0.4
125.09708	0.5
191.91109	0.4
206.64354	0.5
220.07295	0.6
221.08145	0.4
233.08202	0.8
252.06209	0.5
263.09235	1.5
303.19299	0.6
305.21268	0.5
317.13959	1.1
349.25266	1.2
358.69534	0.4
365.28537	3.1
366.28845	0.4
367.26514	0.9
371.29807	0.4
383.29526	3.1
385.27466	70.1
386.27902	6.4
386.32938	0.6
401.25659	0.6
401.30618	10.6
402.30905	0.8
427.28339	1.1
429.26328	0.7
445.29745	100.0
446.30029	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	445.2959
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
55.20690	0.2
57.03449	0.2
59.01374	1.5
61.98815	0.5
71.01369	0.3
71.16824	0.3
71.17178	0.4
73.14127	0.2
74.59275	0.2
78.95895	0.2
85.06599	11.8
89.02470	0.2
95.05054	0.3
97.06612	0.5
101.06130	0.2
109.06622	0.3
111.04580	0.2
111.08170	0.5
121.06667	0.3
123.08184	0.4
135.08141	0.2
151.11273	1.3
152.99568	0.3
155.07182	0.5
165.12895	0.3
179.14346	0.2
191.14545	0.3
194.23502	0.2
200.95444	0.2
205.12392	0.2
219.13835	0.4
221.15508	0.4
263.09238	0.2
273.18646	0.5
297.18723	0.3
301.21744	0.8
313.21832	0.4
343.22812	0.3
369.24362	0.9
371.25839	3.4
372.26172	0.5
383.25546	0.3
383.29852	0.5
385.18515	0.2
385.27542	0.4
399.29065	3.8
400.28989	0.4
401.30652	2.4
402.30899	0.3
411.25406	1.0
425.27054	0.6
427.28632	3.0
428.28989	0.4
429.26480	0.4
443.28183	0.3
445.29623	100.0
446.29971	13.6
446.36307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.1
61.98841	1.7
71.01429	0.8
71.12592	0.7
71.12949	0.4
71.80483	0.3
78.95911	17.3
79.95798	0.4
83.05073	0.5
89.02485	0.7
94.99112	0.4
104.97547	0.9
110.98539	14.1
111.04585	0.7
128.12016	0.3
137.00157	0.5
152.99605	0.6
167.01164	15.9
185.02194	4.1
205.19843	0.4
219.06641	0.5
221.08229	0.4
224.45314	0.4
233.08203	0.5
244.64032	0.4
259.20703	0.9
263.09302	1.0
277.21710	100.0
278.19223	0.7
278.22055	8.7
317.14133	0.8
352.94864	0.3
361.16605	0.4
385.18375	0.4
401.30496	1.9
401.98544	0.4
442.55267	0.3
445.23572	23.0
445.29150	2.1
445.33224	3.3
446.23901	2.6
446.33865	0.4
446.77823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59145	0.2
59.01365	1.4
61.98822	0.3
69.37035	2.1
71.01379	0.3
75.03700	0.2
78.95905	5.5
83.05028	0.2
83.38364	0.2
88.18314	0.2
110.98541	4.7
134.55084	0.2
151.14462	0.3
152.99565	0.3
167.01144	2.4
185.02213	4.6
207.14670	0.2
259.20645	0.5
275.20255	0.3
277.21707	100.0
278.22055	9.4
445.23624	10.1
445.29037	0.4
445.33469	0.5
446.23868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
59.01378	9.7
60.01722	0.2
60.99305	0.5
61.98829	3.8
65.13119	0.2
71.01391	2.0
71.05016	0.6
73.02942	0.3
79.01892	0.3
83.05040	1.4
85.02956	0.2
85.06588	2.1
87.00905	0.2
89.02462	1.0
97.06586	1.7
98.19798	0.3
111.04543	0.7
111.08157	0.4
113.02454	0.5
119.03531	0.3
121.02934	0.4
123.08170	0.6
137.06123	0.2
137.09724	0.4
149.09769	0.3
151.11304	0.4
153.12909	0.3
155.07164	12.8
179.10880	0.4
205.12498	0.4
209.11806	0.6
219.06580	0.6
220.07407	0.3
233.08205	0.4
263.09241	0.7
273.18582	2.5
289.21686	1.9
299.20291	0.5
301.21765	0.3
305.21219	0.7
307.22818	1.4
311.20300	0.3
317.13983	0.4
327.23529	0.3
329.24911	0.6
331.26389	0.7
333.13593	0.2
333.22113	0.4
339.23297	0.5
341.24478	0.3
347.22308	1.4
349.25275	2.0
355.26465	0.5
357.28024	0.5
359.22318	1.3
365.28506	14.9
366.28806	2.0
367.26456	0.4
369.24158	0.3
371.25580	0.5
383.25870	0.5
383.29642	8.7
384.29907	1.1
385.18875	0.3
385.27542	1.0
399.29132	1.3
401.26862	2.6
401.31522	3.2
402.31427	0.5
427.28647	2.7
428.28885	0.5
445.29645	100.0
446.29993	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	9.3
59.01378	74.6
61.98844	1.3
63.79477	0.6
63.82806	0.8
69.82014	4.8
71.01382	8.9
73.02943	2.5
77.57690	0.6
83.01367	0.8
85.02954	3.7
89.02451	3.1
95.05060	2.1
97.06611	1.9
99.00882	0.8
101.02458	8.3
109.06599	2.3
113.02480	3.9
119.03527	2.1
121.06654	0.9
123.04536	6.2
123.08174	1.7
135.08220	1.0
143.03548	0.9
147.08200	4.9
149.09749	2.0
151.11354	4.1
153.09250	0.9
159.03055	1.7
161.04576	23.0
161.09758	3.4
162.04994	0.7
163.11284	1.7
164.08472	1.2
175.11333	1.4
177.12874	2.8
179.10793	98.3
180.11081	4.3
181.85555	0.7
183.79236	0.7
187.11336	7.6
189.09192	2.3
190.10005	1.2
191.31494	0.7
195.13960	1.5
198.45435	0.7
203.10791	3.2
205.12346	100.0
206.12712	6.5
223.13399	12.4
224.13754	1.0
341.15964	6.9
367.17606	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.8
59.01384	100.0
60.01717	0.8
69.80278	5.6
70.46109	0.8
71.01389	28.1
71.78197	0.7
72.99300	1.8
73.02956	1.5
74.33541	0.8
83.01408	1.2
85.02965	4.6
87.00910	1.8
89.02457	40.1
95.01397	1.5
101.02457	14.5
113.02480	14.1
119.03524	19.5
121.46549	0.7
125.02497	1.0
131.03513	2.6
132.30389	0.8
143.03503	5.3
149.04602	1.6
153.09200	2.7
161.04553	8.7
169.69864	1.0
179.05637	23.9
179.10783	0.9
192.51091	0.8
203.98607	0.8
205.12357	6.7
223.13533	1.1
269.14752	0.8
385.18701	11.5
386.19266	1.0
445.13281	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.0
59.01381	100.0
60.01715	0.9
61.23478	0.2
63.53251	0.3
69.67273	0.6
69.67678	1.4
71.01388	16.1
72.99330	0.8
73.02972	0.4
83.01408	0.3
83.05045	2.5
85.02959	2.2
87.00906	1.0
89.02456	25.9
90.02799	0.5
95.01411	0.9
101.02454	8.1
105.28592	0.3
111.67630	0.2
112.16970	0.3
113.02463	6.7
114.70219	0.3
119.03514	10.4
121.06600	0.4
131.03545	1.3
143.03531	2.7
147.36789	0.3
149.04558	1.2
155.56325	0.3
161.04604	4.6
179.05641	20.3
180.06052	0.6
205.12386	0.6
213.34187	0.3
288.25397	0.3
445.20911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10698	0.4
55.61080	0.4
57.03431	2.3
59.01380	100.0
60.01711	0.6
61.98834	1.7
65.04001	0.7
69.03463	0.6
69.74478	2.6
69.74889	0.8
70.35724	0.6
71.01382	9.5
72.99328	0.9
73.02940	2.5
74.42615	0.4
75.00892	1.7
83.01408	1.0
84.23716	0.5
85.02967	2.2
87.00857	0.6
89.02464	2.6
91.01919	1.5
93.03469	9.7
95.01425	0.8
95.05045	1.1
97.02947	0.9
97.06603	0.8
98.19850	0.7
99.00925	1.0
101.02461	4.2
107.05050	0.6
108.02183	0.6
109.02967	5.7
109.06618	1.3
110.03300	2.5
111.03355	0.8
111.04533	1.1
113.02473	3.0
119.05042	75.8
120.05380	2.2
121.02995	0.8
123.04563	1.6
131.57069	0.5
135.00914	3.1
135.04529	1.0
135.08200	0.7
136.01451	0.8
137.01506	0.6
137.02461	17.4
138.02745	0.6
138.06882	0.5
143.03525	0.6
145.02979	0.7
147.08234	0.8
149.02412	0.4
149.09755	0.7
151.03975	0.6
151.07693	0.5
151.11264	1.3
153.01936	3.7
153.09277	1.3
154.02364	1.3
155.02361	1.2
161.04581	6.7
161.09724	0.8
163.04022	33.5
163.11371	0.6
164.04398	1.4
164.08546	0.6
179.05641	0.8
179.10791	28.4
180.11131	1.3
187.11349	1.8
187.13365	0.5
203.07597	0.5
203.10760	0.5
205.12338	24.8
206.12827	0.9
217.07394	0.5
223.13396	4.8
263.09274	0.6
266.10843	0.5
270.01740	0.6
271.02411	0.4
281.06674	23.7
282.07056	1.5
287.94519	0.5
317.07858	0.7
341.15884	4.2
342.16565	0.5
362.68607	0.6
367.17715	1.6
369.06235	0.9
379.94009	0.5
385.18680	1.3
445.11649	31.1
445.25653	3.7
446.11942	3.0
446.26096	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.7
68.93726	0.5
71.01381	4.2
72.00908	1.2
74.02485	1.0
75.00877	73.9
76.01213	1.1
77.78065	0.5
77.94906	0.5
85.02946	0.5
89.02449	4.6
97.45967	0.4
101.02456	1.7
103.00384	100.0
104.00710	2.0
104.03548	9.3
105.01871	0.7
113.02494	1.4
115.00391	0.9
119.03506	1.6
133.01428	1.5
159.58292	0.5
161.04579	0.5
167.86899	0.6
179.05620	2.7
226.17656	0.5
229.29713	0.6
331.06271	0.5
341.06717	0.6
341.10889	12.2
342.11185	0.6
348.42242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97505	0.5
55.01858	0.8
57.03463	0.4
58.00547	0.7
58.09056	0.4
59.01380	11.9
61.98829	5.0
67.01878	0.5
68.99834	0.5
69.03442	0.8
71.01386	13.8
71.09752	1.1
72.99298	0.9
73.02946	3.8
78.95879	0.8
79.01911	0.5
81.03431	0.6
83.01372	1.8
85.02956	5.8
87.00864	1.9
89.02451	5.7
90.41199	0.4
93.03466	33.7
94.03775	0.8
95.01395	2.1
96.96019	1.0
96.96959	1.5
96.99297	0.5
97.02958	1.5
99.00883	1.5
101.02448	9.2
103.45851	0.4
107.01393	2.6
108.02162	1.2
109.02949	1.5
111.00896	1.2
111.04517	0.8
113.02456	6.3
119.03535	2.0
119.04916	0.4
121.02970	1.3
123.00895	7.8
125.02460	13.0
131.03517	1.5
135.04533	1.0
136.01675	4.3
137.02461	89.6
138.02786	2.9
139.00369	1.6
140.01158	1.6
141.01952	0.8
143.03508	2.1
145.05089	1.4
147.04488	0.7
149.02446	1.6
150.03241	0.6
151.00374	5.2
151.04080	2.0
153.01932	0.5
161.02490	1.1
161.04593	0.8
163.04117	1.0
163.06155	6.7
165.05626	1.8
167.03592	0.6
168.00687	2.4
169.01431	17.2
170.01767	0.5
177.10466	0.4
179.03506	16.0
179.05136	0.9
180.04034	0.5
191.03601	0.7
195.06693	0.6
209.04639	2.7
211.02490	3.2
220.02039	0.5
221.04640	1.0
239.05589	11.2
240.06194	0.8
271.04602	3.5
275.02161	0.5
281.06586	5.9
282.07129	0.6
299.07877	1.9
300.99927	1.0
302.00540	0.5
313.05814	2.7
331.06964	1.0
333.13660	0.5
357.06802	0.7
361.13052	0.5
382.18344	0.6
387.09442	1.0
399.09271	0.5
445.13953	100.0
445.25873	4.6
446.09073	0.6
446.14224	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	445.1145
Annotation	5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate
Peak:m/z	Relative Intensity
57.03423	1.0
59.01089	0.9
59.01378	16.1
61.98839	4.6
66.79011	0.4
68.08286	0.4
68.99789	0.5
69.03436	0.9
70.02846	2.2
71.01384	4.9
72.99300	0.6
73.02925	0.9
81.03469	1.6
85.02964	3.2
89.02438	2.8
93.03483	0.7
95.01393	1.4
96.96027	0.6
97.02994	0.8
98.20577	0.7
98.25174	0.4
101.02467	2.2
107.01417	0.5
108.02189	78.0
109.02975	72.3
110.03303	2.1
111.04534	1.6
113.02467	2.0
115.11197	0.4
119.03516	1.2
121.02975	1.8
123.00843	2.7
123.04533	1.3
125.02439	2.6
133.03004	0.8
134.03780	0.5
135.00876	0.9
135.04506	0.7
137.09778	0.8
145.02951	0.6
147.04572	3.8
151.00403	0.4
151.04025	1.3
152.01176	59.9
153.01962	56.4
153.03281	1.0
153.09201	1.2
154.02312	1.3
155.10822	2.1
161.02585	0.6
161.04564	1.6
163.00352	0.4
163.04025	1.7
165.01973	0.8
169.01448	2.4
179.05649	0.7
179.10881	0.6
183.08162	1.3
183.41484	0.4
189.01974	0.5
195.08179	0.8
197.06017	0.5
202.99835	0.8
205.12402	1.3
209.11853	2.0
210.06804	0.8
211.07625	2.3
216.00578	0.9
223.13519	0.9
227.07002	0.5
229.01488	0.6
233.08351	0.6
238.06392	0.8
239.07159	5.8
240.07571	0.7
242.02156	1.1
243.99994	0.8
246.98888	1.7
253.05046	0.6
253.08882	0.8
255.03046	0.5
263.09372	1.1
267.06436	0.7
269.01001	1.2
269.08188	1.2
270.99002	0.5
271.02444	0.6
271.99573	0.5
276.47430	0.4
285.04025	1.0
297.06317	1.4
299.05646	0.7
313.07327	0.7
317.13950	0.6
341.06863	0.6
357.09900	0.6
368.54996	0.9
369.06055	1.5
373.09241	0.8
385.18954	1.5
401.08792	7.8
413.04666	0.5
445.11639	100.0
445.25171	6.9
446.11920	11.8
446.26221	0.6
469.06961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03460	1.1
58.00598	0.8
59.01381	13.3
59.97178	0.5
61.98840	7.3
65.98122	0.5
67.01888	1.0
68.99814	0.8
69.03447	1.4
69.84341	3.4
71.01392	14.7
72.99314	1.0
73.02951	9.8
75.00867	1.0
79.01903	1.9
81.03464	0.6
83.01373	1.8
85.02975	5.4
87.00883	2.2
89.02450	4.9
93.03475	12.0
93.17101	0.5
95.01392	3.2
96.96001	0.7
96.96967	1.0
97.02950	1.9
98.19957	0.9
99.00874	1.6
101.02457	8.1
103.04019	1.3
107.01398	7.8
108.02225	0.7
109.02935	1.2
111.00895	2.5
111.04529	1.0
111.08107	0.5
113.02473	5.9
119.03535	1.4
119.05106	0.5
121.02965	1.0
123.00906	19.5
123.04541	0.6
124.01706	1.1
125.02469	40.0
126.02776	1.0
127.00391	1.1
131.03526	6.4
133.03017	0.8
135.04544	1.3
136.01625	1.5
136.98856	1.0
137.02470	33.0
138.02881	0.7
139.00412	5.6
140.01212	3.4
141.01978	2.9
143.03502	1.3
144.48337	0.6
145.02995	0.7
149.02368	0.7
151.00386	14.3
151.04010	1.9
152.01073	0.6
153.01938	2.0
161.02448	1.9
161.04558	1.8
163.03981	1.4
163.06145	1.5
165.01973	0.6
165.05534	0.5
165.51422	0.5
166.99883	1.1
167.03574	0.8
168.00674	4.9
169.01453	57.2
170.01747	1.9
171.39352	0.5
175.02473	0.5
175.04056	0.6
177.05602	0.7
179.03519	7.7
180.03923	0.6
181.05025	0.9
193.05060	0.9
195.02931	0.7
195.06462	0.5
209.04572	1.1
211.02480	10.4
211.04326	1.1
219.06555	0.6
220.01981	1.0
221.04527	0.6
223.02428	0.7
239.05606	4.9
252.00943	0.8
253.03432	1.1
263.09100	0.8
267.03290	0.6
271.04578	15.2
275.01855	1.1
276.02673	0.6
277.44492	0.5
281.06583	1.6
289.14398	0.5
293.08682	0.9
299.07651	0.9
301.00015	1.2
313.02130	0.8
313.05655	10.9
331.06683	3.4
357.06638	0.9
373.07263	0.5
387.09174	5.2
399.09109	2.3
409.15210	0.5
417.10577	0.7
427.08127	0.8
445.08951	100.0
445.14453	20.5
445.25803	5.9
446.09253	8.6
446.15060	1.4
446.25732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50051	0.4
57.03459	0.6
59.01379	100.0
60.01712	1.3
61.98841	3.1
62.94133	0.4
69.64338	1.7
69.64762	1.5
71.05026	0.6
75.76726	0.4
85.06602	1.3
89.02449	0.8
91.04028	3.9
107.05074	0.7
109.06583	0.5
111.04536	0.7
111.08160	2.2
123.82634	0.4
125.09707	0.5
150.92271	0.4
152.26395	0.4
197.11807	5.7
199.13466	0.4
211.13431	1.0
231.19716	0.5
259.17075	0.4
273.18634	1.3
275.16470	1.4
291.19763	3.8
301.18069	4.4
303.19705	0.8
309.20724	12.2
310.21048	0.6
316.20453	1.7
325.21518	0.5
327.19696	0.8
342.22125	0.8
343.22699	0.6
343.26474	0.9
353.25076	0.5
367.22778	0.5
367.57257	0.4
369.24341	21.0
370.24628	3.0
371.25867	1.7
371.29874	0.8
372.29889	0.5
381.28030	0.8
383.25766	0.6
384.26840	0.7
387.25775	0.5
399.29068	2.4
413.23160	5.4
425.27133	1.7
443.28079	81.6
444.28406	12.6
444.34161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99649	0.2
59.01382	5.9
61.98825	1.7
63.02423	0.4
65.00331	0.5
70.54984	0.9
71.01383	1.0
72.99309	0.4
75.02418	0.5
79.01914	0.5
84.06652	0.3
85.03001	0.5
89.02437	0.5
91.01901	3.7
91.02402	0.3
93.03462	0.8
95.01427	0.6
95.05021	0.7
96.96041	0.3
101.02450	0.9
103.51324	0.3
109.02947	1.1
111.04569	0.6
113.02486	0.4
119.01409	4.6
119.03505	0.4
121.02968	0.9
121.06594	0.3
135.00914	0.4
137.02478	4.1
145.02988	0.4
147.00917	11.4
148.01344	0.5
153.09283	0.7
161.02458	0.7
163.00424	3.4
164.01173	0.6
165.01973	4.2
165.05609	1.7
173.02454	1.1
174.03215	1.4
175.00392	9.0
176.01169	3.1
177.01897	0.9
179.05652	0.4
185.02429	0.5
189.01985	0.8
190.02722	1.0
190.99980	0.5
196.02351	0.4
197.08311	0.5
199.04271	0.4
201.01974	1.3
202.02734	4.8
202.99889	34.2
204.00294	2.1
206.99417	1.3
208.00017	1.4
209.00934	7.3
209.11725	0.5
215.03658	0.4
216.00713	0.4
217.01469	0.3
218.99414	0.4
225.05490	0.4
225.09094	0.4
227.03490	0.5
229.01469	0.6
230.02202	3.2
232.00005	0.6
232.93748	0.3
240.04222	1.2
245.00900	1.7
246.01665	0.6
246.98834	100.0
247.99208	4.9
251.07277	0.4
254.05858	0.5
255.03139	0.3
255.06456	0.6
259.99649	0.8
261.00421	0.6
263.09250	0.5
269.00995	0.8
269.04324	0.4
269.05344	0.5
269.08179	3.0
273.00299	0.6
274.01151	2.2
275.01730	0.4
281.04648	0.4
282.05090	0.4
297.04346	0.5
297.07584	2.8
298.08328	1.0
299.05777	0.4
311.05789	0.5
313.07150	0.7
325.07266	1.2
329.10263	1.1
341.06607	1.3
357.09747	1.1
369.06110	0.7
373.09387	1.2
385.18411	0.5
401.08835	10.7
402.09122	1.1
445.07666	6.8
445.13297	0.5
445.25778	4.3
446.08188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01871	1.6
57.03456	1.7
58.00593	1.5
59.01382	35.0
61.98816	0.9
63.02902	0.3
64.35853	0.3
69.03464	0.3
69.53128	1.7
69.53542	1.2
71.01386	25.7
72.99308	1.7
73.02947	4.6
75.00892	1.2
79.32141	0.3
83.01400	3.8
83.05067	0.5
85.02959	9.9
87.00896	1.1
88.98830	0.5
89.02456	15.8
89.30734	0.3
95.01415	2.4
95.05120	0.4
97.02918	0.5
99.00893	1.1
101.02461	19.0
102.02798	0.3
111.04537	1.2
113.02470	8.3
119.03520	5.9
121.06602	0.4
121.69884	0.4
123.08145	0.8
125.02407	0.5
126.67481	0.3
131.03526	0.4
143.03578	0.5
149.04613	0.5
149.25021	0.3
155.37007	0.3
159.02969	0.4
161.04597	1.5
168.46947	0.4
169.01437	0.5
171.11813	0.6
173.04590	0.5
179.05658	0.5
179.64864	0.4
189.12848	1.2
219.13898	0.9
223.07962	0.4
237.14908	0.9
353.08157	0.4
414.17557	0.4
414.87033	0.4
443.19232	100.0
444.19617	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
59.01381	100.0
60.01711	0.9
61.98837	1.8
69.01328	0.3
69.03465	0.3
69.42307	2.3
69.42725	1.1
71.01401	0.9
73.02985	0.4
84.62755	0.3
85.06622	0.6
89.02483	0.7
91.04025	1.7
96.95991	0.6
111.04567	1.0
111.08215	1.2
118.05337	0.3
147.04678	0.4
159.10347	0.7
160.78011	0.3
183.13928	0.6
197.11845	4.0
207.10184	0.3
209.52383	0.4
211.13388	0.5
291.19669	3.1
309.20731	7.5
309.24094	0.5
310.21091	0.7
351.23273	0.4
363.28912	0.4
369.24512	0.6
371.25809	0.4
381.28159	0.8
383.25784	0.6
397.27585	0.4
407.28033	6.2
407.32840	0.6
408.28461	0.7
413.23575	0.7
425.27185	1.3
443.28195	20.0
444.28577	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	443.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23765	1.1
52.73869	1.0
54.86991	1.1
55.01870	1.5
57.03442	1.8
59.01380	62.2
61.98832	54.7
62.98530	1.5
66.64840	1.2
69.03445	2.4
69.40963	11.2
69.41372	2.5
71.01377	15.6
72.99329	1.8
73.02947	2.8
75.00874	2.5
75.02405	1.3
78.36771	1.2
79.01913	1.2
81.03396	1.6
83.01395	1.6
83.46552	1.2
85.02959	6.5
87.00881	3.8
89.02462	12.6
93.03470	1.9
95.01396	3.3
95.24409	1.4
97.77562	1.5
98.20562	2.9
99.00853	1.5
101.02461	8.9
107.01395	6.9
108.02143	1.0
111.00895	3.9
111.04529	3.3
113.02475	8.1
115.26189	1.2
116.92892	8.7
119.03497	3.8
119.05006	2.2
123.00082	1.6
123.00908	17.5
124.01633	2.2
125.02470	37.8
125.03397	2.1
129.05554	2.8
133.04126	1.4
135.04527	1.8
136.98822	2.1
137.02437	3.2
139.00380	5.5
140.01198	6.5
141.01929	1.6
145.02948	6.3
149.04504	1.5
151.00410	10.2
153.01909	1.3
163.00354	3.9
163.04039	3.0
168.00662	14.4
169.01437	52.9
170.01759	2.4
173.04590	1.6
179.03476	1.9
190.99889	40.2
191.05675	1.8
192.00288	1.3
206.02214	63.2
207.02516	2.9
211.02492	51.3
221.04559	100.0
222.04922	5.1
229.79778	1.3
271.04575	81.8
272.04825	3.4
291.10703	3.6
313.05692	2.0
331.06717	10.3
399.12918	7.4
425.10834	3.8
443.11871	94.9
443.18781	18.1
444.11786	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	443.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71858	0.6
57.64296	0.5
59.01379	11.8
61.98831	3.1
66.13077	0.7
69.03469	0.8
69.71945	3.9
71.01396	9.1
71.05035	0.7
72.99327	1.1
73.02956	2.2
79.01900	1.3
83.01400	2.1
85.02960	5.6
87.00907	0.7
89.02464	2.2
95.01407	2.4
97.02966	1.4
98.19859	1.1
99.00896	1.6
101.02462	5.1
107.01395	4.7
110.36372	0.6
111.00899	1.9
111.04528	0.8
113.02455	4.5
117.03489	14.5
119.03596	0.6
119.05061	10.5
123.00902	14.2
124.01694	2.2
125.02466	26.0
127.00410	0.7
135.04576	1.0
135.06648	1.1
136.98863	1.2
137.02432	0.8
139.00375	4.4
140.01172	2.7
141.01953	2.5
145.02977	64.3
146.03320	1.9
151.00395	11.7
151.04115	0.8
153.02026	1.3
161.02568	0.6
161.04692	0.6
161.06133	1.2
163.04044	13.2
168.00670	4.3
169.01447	38.1
170.01776	1.0
181.05077	0.8
190.99915	4.3
197.88292	0.5
206.02205	2.6
211.02422	2.8
221.04520	4.6
253.03607	1.2
265.07236	0.9
268.25259	0.6
271.04617	2.9
271.07068	0.6
281.06570	0.5
285.41034	0.6
285.83081	0.6
291.10837	1.1
310.15674	0.5
313.05640	4.8
345.99078	0.6
443.11234	100.0
443.16873	7.5
444.11716	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	443.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06957	0.2
55.01854	0.6
57.03427	0.6
59.01379	7.0
61.98827	2.0
63.79081	0.3
67.01876	0.7
67.64967	0.2
69.03456	0.7
69.68249	1.6
69.68654	0.6
71.01385	6.2
71.04981	0.6
72.99303	0.5
73.02946	1.9
73.40226	0.3
75.68700	0.2
79.01883	0.9
83.01375	1.1
85.02960	2.8
87.00851	0.8
87.04514	0.2
89.02441	1.4
95.01407	2.0
97.02943	0.8
98.19886	0.5
99.00859	0.6
101.02457	3.8
107.01402	4.0
109.02956	0.3
111.00908	1.9
111.04519	0.8
113.02476	2.6
117.03478	3.0
119.03539	0.5
119.05030	1.5
121.91392	0.3
122.99992	0.5
123.00896	14.0
124.01663	1.1
125.02460	22.3
126.02778	0.5
131.03488	0.3
136.98775	1.2
137.02426	0.6
138.99461	0.3
139.00406	4.4
140.01169	1.9
141.01968	1.8
145.02966	12.6
147.06664	0.4
151.00389	11.0
153.01903	0.9
154.99809	0.3
161.02420	0.6
161.04472	0.5
163.04016	3.2
167.03381	0.5
168.00650	3.5
169.01440	31.6
170.01733	0.7
171.84093	0.3
179.03462	0.3
179.05544	0.3
181.05048	0.5
190.99825	0.7
206.02188	0.7
211.02449	1.7
221.04454	1.1
223.02448	0.4
249.13686	0.3
253.03465	0.7
271.04559	2.2
288.95816	0.3
291.10779	0.4
313.05658	4.5
443.11740	100.0
444.12030	8.1
467.75513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3373
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
50.44938	0.4
50.84663	0.4
57.03451	0.6
59.01363	0.8
61.98827	1.0
69.03446	0.9
70.69343	0.3
71.05029	2.0
76.36585	0.4
85.06600	0.7
86.51081	0.3
87.30872	0.4
95.05104	0.7
95.44042	0.4
96.96014	1.7
97.06586	2.6
97.95934	0.4
111.08181	2.1
111.17075	0.4
137.09763	0.8
137.16502	0.4
148.99310	0.4
163.11325	0.7
189.12871	7.8
190.13184	0.6
191.14432	13.8
192.14745	0.5
205.12428	0.4
217.15681	0.4
229.67894	0.5
270.78806	0.4
273.18484	1.1
289.21814	0.8
329.24817	0.4
367.26422	0.9
375.27176	0.6
385.95276	0.4
403.30164	0.5
405.31549	1.7
407.29706	1.3
421.31085	3.0
423.32693	12.5
424.33224	1.3
439.32419	2.3
439.37381	0.5
441.33734	100.0
442.34149	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	443.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.7
61.98831	2.2
69.03450	2.7
69.62347	4.7
71.01381	6.2
73.02956	2.0
75.27847	0.6
81.03467	2.2
83.01393	1.2
85.02971	5.5
87.00924	0.5
89.02454	1.5
93.03486	1.6
95.01394	3.0
97.02989	0.8
98.19862	1.0
99.00897	0.7
101.02465	3.4
107.01427	0.6
108.02190	97.0
109.02980	56.2
109.03752	1.4
110.03311	2.0
111.00906	1.6
111.04507	1.0
113.02471	14.8
119.03578	0.7
120.75359	0.5
120.99664	0.8
121.02954	1.7
123.00887	3.2
123.04533	1.0
125.02462	2.1
133.05092	1.1
133.53111	0.5
135.00871	1.4
135.04509	1.4
137.02502	1.1
145.05083	3.9
147.04541	15.5
148.04861	0.6
149.02425	0.6
149.04340	0.7
149.06070	0.7
151.00308	0.6
151.04012	0.8
151.06149	1.1
152.01175	81.4
153.01959	29.1
161.04732	1.1
161.06097	6.9
163.04028	1.5
165.01941	2.3
166.02724	0.7
167.03568	3.3
168.00629	0.7
169.01387	0.9
175.06087	0.9
176.68971	0.5
177.09221	1.0
189.05565	1.3
203.10771	1.1
205.05110	0.9
287.44101	0.6
295.10315	1.3
297.06073	0.9
315.07425	2.9
331.28912	0.6
383.04324	1.0
411.09354	0.9
443.11844	100.0
444.12274	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	441.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
57.03455	1.4
58.00623	1.0
59.01088	1.0
59.01381	20.3
61.98831	7.6
69.73841	5.9
70.79374	0.8
71.01387	26.3
72.05035	0.7
72.99343	1.7
73.02956	15.0
83.01395	6.1
85.02968	12.8
85.10033	0.8
87.00907	2.2
89.02447	6.1
95.01411	2.4
97.02989	1.4
99.00899	5.3
101.02457	29.3
108.02208	2.2
109.02982	1.6
110.13819	0.9
111.00886	2.4
112.13659	0.8
113.02464	11.8
121.02991	1.0
123.04597	1.3
125.02492	3.0
131.03510	1.9
137.02458	2.5
143.03520	1.3
145.02963	2.0
152.01155	0.8
159.03032	2.0
161.04559	8.6
169.01440	2.6
211.02411	1.0
238.04803	0.9
249.13434	34.3
250.13736	1.7
271.04459	0.9
277.75278	0.9
299.99350	1.0
360.35913	0.9
381.17654	100.0
382.17957	9.1
402.18045	1.0
429.05670	1.0
441.18222	6.0
442.17590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
57.03443	1.7
59.01382	27.7
60.22305	1.0
61.98829	11.9
68.99829	0.9
69.03450	1.1
69.34776	0.9
71.01386	24.9
72.99326	0.9
73.02949	14.2
74.99120	0.9
75.00873	1.4
83.01395	6.0
85.02965	14.0
87.00904	1.5
87.08175	1.0
89.02457	9.6
93.03469	2.0
94.18211	1.0
95.01388	2.3
96.96041	1.9
97.02995	1.1
99.00883	4.1
101.02451	32.2
101.06078	2.9
108.02173	2.8
109.02943	2.5
111.00906	1.4
113.02466	12.3
115.03999	1.6
119.03448	1.3
120.99699	1.0
123.00925	1.4
123.04552	2.0
125.02448	5.3
127.07593	0.9
129.01941	1.3
131.03511	3.2
135.04530	1.4
137.02457	3.5
143.03487	1.3
145.02956	3.7
151.00421	1.6
152.01129	2.3
153.01932	2.6
153.05598	1.8
159.03000	2.9
161.04590	10.3
163.04004	2.5
165.49553	0.9
168.00616	1.2
169.01387	3.4
196.24092	1.0
203.07321	1.2
211.02432	1.1
215.58183	1.0
221.20230	1.0
246.43355	1.0
249.13438	35.0
250.13786	2.7
289.07242	2.5
299.99133	1.0
329.11481	2.0
379.16162	1.4
381.17670	100.0
382.18097	8.0
397.02109	1.4
441.13248	3.5
441.17474	4.1
442.09525	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	439.1738
Annotation	Sophoraflavanone D
Peak:m/z	Relative Intensity
55.01865	1.1
55.73391	0.9
59.01119	1.2
59.01380	13.3
61.98848	4.3
69.43987	0.8
71.01387	12.7
71.71164	1.3
71.71523	0.9
72.51828	0.8
72.99313	0.9
73.02939	3.9
74.99090	2.1
79.95746	1.9
80.91685	1.1
83.01379	2.2
83.05023	1.7
85.02983	4.5
87.00870	1.7
89.02450	7.6
93.03483	1.0
95.01402	1.0
96.96025	3.0
99.00890	1.2
99.04524	0.9
101.02451	9.9
108.02160	1.3
109.02952	2.3
111.00919	1.2
113.02478	4.1
117.21140	0.9
119.03516	3.5
120.99668	2.3
121.02989	1.3
123.00892	1.1
123.04505	1.6
125.02448	3.3
127.04037	6.1
131.03497	1.5
135.06639	1.5
136.99156	2.1
137.02463	1.8
139.04002	1.8
139.07680	1.3
141.02020	1.2
143.03534	0.9
145.02861	1.0
149.02438	1.7
150.03209	2.9
152.01088	1.3
153.01903	1.6
153.05591	1.8
159.03020	1.4
159.06691	6.0
159.10313	1.9
161.02441	1.6
161.04544	3.9
163.04092	1.0
164.01254	0.9
164.04666	1.2
165.01903	1.3
165.05545	3.8
167.03462	0.9
169.01450	1.5
171.90181	0.9
179.05586	3.0
180.04230	1.3
188.72380	0.9
195.06615	2.1
209.08199	2.4
213.07834	1.1
225.07402	1.0
241.14444	3.9
307.17639	9.3
351.06940	1.0
367.00757	1.2
403.19727	24.5
404.20026	2.4
439.12070	7.1
439.17310	100.0
440.11835	1.7
440.17667	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	439.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.8
58.48112	0.6
59.01381	9.2
59.56832	0.6
61.98837	2.9
64.61678	0.6
71.01379	6.8
72.99308	1.4
73.02947	2.2
74.99110	0.8
75.00880	2.0
82.94376	0.8
83.01392	1.4
83.05019	0.8
85.02947	2.2
85.06590	4.6
87.00883	6.1
88.98817	1.9
89.02450	3.7
93.03479	1.8
95.01386	0.7
96.96020	1.1
99.00874	1.0
101.02456	4.5
105.01958	2.4
108.02182	1.2
113.02451	3.1
113.06126	2.5
115.04025	1.9
121.02965	1.8
122.03777	7.4
124.01623	0.6
125.02459	1.2
127.04021	2.2
131.03520	1.1
133.05092	2.2
137.02466	3.1
139.04005	0.9
149.02457	11.7
150.03246	59.7
151.00392	0.7
151.03540	1.4
152.01137	0.7
159.03011	0.8
159.06633	1.5
161.04550	2.2
164.04796	2.3
165.01956	20.9
165.05586	70.9
166.02579	0.7
166.05902	2.6
169.01469	1.2
176.04770	0.6
179.03499	1.1
180.04289	18.1
194.34869	0.6
195.06635	100.0
196.06938	4.2
209.08215	2.1
213.07668	0.7
225.07571	1.0
243.08766	1.5
243.44127	0.6
249.06223	2.1
261.74533	0.6
267.07144	2.9
285.49564	0.7
307.17645	3.0
309.08246	5.2
367.01047	0.9
391.14136	1.3
401.14734	1.1
403.12317	1.0
439.08597	0.7
439.14368	4.2
439.17157	4.7
440.16071	0.8
450.15359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33850	0.5
59.01384	8.2
59.34948	0.5
60.73023	0.4
61.98829	1.1
71.01396	4.1
72.99336	0.7
73.02953	0.9
80.29462	0.4
85.02961	1.4
87.00893	0.6
89.02477	2.9
93.03484	2.0
96.96010	0.7
101.02453	2.4
108.02176	2.7
109.02962	1.9
113.02451	1.0
119.03548	0.7
121.02969	3.2
122.03778	7.2
125.02492	3.0
129.05591	0.7
131.03525	1.8
131.07152	1.7
133.02917	0.9
133.05099	0.8
136.01656	0.9
137.02480	4.2
137.06120	0.6
149.02463	19.8
150.03247	50.9
151.00403	0.6
151.03709	2.3
152.01195	2.4
153.01927	0.6
153.05588	0.7
159.06746	0.5
161.04597	1.2
164.04822	5.0
165.01959	27.5
165.05594	58.5
166.02354	1.1
166.05905	1.6
169.01442	1.4
179.03531	0.7
179.05673	0.8
180.04314	28.4
181.05020	1.5
183.06709	0.8
185.02487	0.5
195.06654	100.0
196.07008	3.8
203.10849	0.5
221.11740	0.7
223.08243	0.9
229.74188	0.5
243.08731	8.4
244.09192	0.6
247.11858	1.7
280.73746	0.6
283.06503	0.6
301.07175	2.1
315.08582	0.9
316.09570	1.5
331.11905	8.3
379.16013	1.1
391.14001	15.9
392.14310	1.2
401.18176	0.7
403.12341	2.9
439.08932	3.9
439.16486	8.6
440.09457	0.5
440.16522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42562	0.2
70.47066	0.9
70.47445	0.6
71.67711	0.3
78.95913	40.9
79.95749	0.8
89.02445	0.3
96.96032	58.6
96.96974	100.0
109.99728	0.3
125.02531	0.3
152.59016	0.3
186.88074	0.4
209.28108	0.3
341.11505	0.4
439.08624	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44770	0.2
68.11318	0.2
70.20839	0.5
70.21244	0.5
78.95912	41.1
79.95750	0.8
80.93214	0.2
83.46851	0.2
91.74214	0.2
96.96031	57.1
96.96971	100.0
125.02441	0.7
273.53888	0.2
376.61887	0.2
398.65173	0.3
437.58017	0.3
439.08530	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	439.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
56.48239	0.5
57.03444	0.8
58.00600	0.5
58.29822	0.4
59.01380	8.6
59.98990	0.4
61.98832	6.2
67.01891	0.7
69.03462	3.7
71.01386	10.1
71.67014	0.6
72.99310	0.7
73.02954	4.0
74.99115	1.2
75.00883	0.5
75.18203	0.4
78.95922	0.4
79.01942	0.4
81.03464	1.7
83.01395	2.9
85.02962	6.9
85.06604	2.9
87.00874	3.7
88.98815	2.9
89.02463	3.6
91.94263	0.4
93.03482	1.4
95.01408	4.2
96.96046	2.5
97.02966	10.3
99.00893	2.2
99.04544	0.6
99.85294	0.4
101.02456	7.1
108.02190	84.2
109.02982	41.9
110.03325	1.3
111.00904	1.2
113.02479	5.1
113.06096	1.5
115.04052	1.1
119.03557	1.3
120.99670	2.5
121.02975	0.9
123.00910	3.7
123.04577	0.8
125.02484	2.3
128.38451	0.3
131.03523	1.7
133.02986	0.8
135.00935	0.7
135.04510	0.8
136.99251	0.9
137.02498	1.6
137.06105	0.4
139.04018	0.5
141.00890	0.3
141.01962	8.6
149.02518	0.6
149.04623	0.4
150.03238	1.1
151.04030	1.0
152.01175	69.8
153.01964	21.5
159.10289	1.0
161.02481	0.5
161.04588	2.4
163.04044	1.6
165.01906	1.1
165.05598	1.3
167.03539	0.8
169.01431	0.8
179.03514	0.9
179.05647	0.9
180.04257	0.6
181.05051	0.5
195.02989	0.6
195.06599	1.2
209.04582	0.4
209.08191	0.8
211.02582	0.4
247.11801	0.4
249.06242	0.4
267.07306	0.8
271.04440	0.6
275.01563	0.6
276.01819	0.8
293.08716	0.4
297.06067	0.9
297.11798	0.6
301.00052	0.4
307.17633	9.1
308.18054	0.5
309.08228	2.7
315.06851	0.4
316.66818	0.4
342.08734	0.5
355.43359	0.4
357.21912	0.4
367.00882	0.8
439.08804	100.0
439.21442	7.4
440.09149	10.1
440.15176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.59116	0.1
61.98830	100.0
62.98540	0.2
63.99258	0.3
69.50031	1.4
71.01397	0.5
85.02976	0.3
89.02431	0.2
96.96010	0.3
101.01659	0.1
113.02464	0.3
125.02446	0.2
145.02998	0.2
195.10297	0.4
417.39456	0.2
438.10321	0.6
438.21484	0.2
439.16302	0.3
439.23184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
71.70562	0.3
78.95912	42.8
79.23485	0.2
79.95734	0.3
96.96055	17.0
96.96974	100.0
110.98560	0.3
127.65935	0.2
133.86356	0.2
143.92262	0.2
168.24583	0.2
186.14659	0.2
341.10788	0.3
346.27826	0.2
439.08548	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	438.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
61.98832	100.0
62.98525	0.2
69.41904	0.8
69.42327	1.3
71.01397	0.3
72.99300	0.2
86.02689	0.2
89.02456	0.6
98.19829	0.4
101.02486	0.2
103.61428	0.2
118.25019	0.2
124.34364	0.2
125.02525	0.2
150.04767	0.2
158.48839	0.2
181.12364	0.3
195.10297	0.3
224.29639	0.2
225.11371	0.7
230.50591	0.2
233.26515	0.2
243.29924	0.2
375.16669	1.2
377.29028	0.2
378.29422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26627	0.2
56.81940	0.2
59.01383	1.1
61.98831	100.0
69.46118	2.0
69.46529	0.5
71.01384	0.8
83.46664	0.2
89.02471	0.5
90.15891	0.2
92.71738	0.2
101.02467	0.6
113.02481	0.3
119.03553	0.3
133.18283	0.2
152.99608	0.5
178.47397	0.2
201.00319	0.2
211.13387	1.1
357.17322	0.3
374.92081	0.3
375.20236	7.1
375.24792	0.4
376.20483	0.5
439.17590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.2
59.01382	1.1
61.98830	100.0
66.86777	0.2
69.36987	2.1
71.01386	0.3
72.22129	0.2
72.99331	0.2
73.02937	0.2
74.48641	0.2
92.74319	0.2
96.96037	0.3
98.20644	0.4
101.02470	0.3
104.87147	0.2
114.01015	0.2
117.03475	0.2
121.03000	0.2
122.66102	0.2
123.04630	0.3
125.02485	1.5
125.03379	0.2
137.02502	0.4
145.02988	0.3
147.04588	0.3
161.02403	0.3
164.07205	0.8
167.03456	0.3
169.01434	0.7
177.43694	0.2
254.79520	0.2
255.07701	0.8
275.01801	0.2
276.08688	0.2
313.05481	0.3
420.15451	0.5
439.08939	1.1
439.15701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.04192	0.2
71.19920	0.4
75.23885	0.1
96.96039	0.4
96.96991	0.4
111.83337	0.2
120.99691	0.6
125.02469	0.2
138.58601	0.2
150.73563	0.2
165.05685	0.2
210.39655	0.2
341.27817	0.2
375.09454	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.9
61.98833	9.5
71.01393	3.0
71.06498	0.9
72.99304	0.5
73.02943	1.7
78.95891	0.5
79.01888	0.5
83.01397	1.0
83.25894	0.3
85.02948	2.0
87.00874	0.7
88.98879	0.4
89.02431	0.8
92.32235	0.3
95.01399	1.4
96.96024	1.7
96.96940	0.8
97.02959	0.7
99.00883	0.8
100.09685	0.4
101.02464	3.2
107.01414	1.8
108.33632	0.3
111.00921	2.2
113.02459	1.5
118.83535	0.3
123.00906	10.1
124.01708	0.6
125.02465	11.1
126.02802	0.7
127.00410	0.5
133.99284	0.3
136.98811	0.8
137.02448	0.5
139.00372	2.8
140.01167	1.8
141.01973	1.6
143.03470	0.5
149.02452	1.2
150.03250	2.0
150.99173	0.6
151.00398	10.0
151.03963	0.5
153.01964	0.6
161.04597	0.9
165.01901	1.0
165.05585	1.9
168.00661	3.0
169.01445	15.8
170.01788	0.5
180.04274	1.0
182.15372	0.3
185.55238	0.3
195.06616	2.7
211.02684	0.4
223.08173	0.5
223.32835	0.4
253.03349	0.4
313.05856	1.7
338.09647	0.3
375.09332	100.0
376.00015	0.4
376.09662	6.4
438.02765	0.6
439.09079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.0
57.03440	3.2
58.00600	1.5
59.01381	27.2
61.98830	3.9
67.01881	0.3
68.99818	0.6
69.03455	1.4
71.01384	50.2
72.01744	0.5
72.99311	2.2
73.02950	27.6
74.03288	0.7
75.00864	2.2
81.03473	0.9
83.01390	11.3
84.02186	0.3
85.02956	27.6
86.00103	2.2
86.00564	0.4
86.03282	0.4
87.00884	3.0
89.02452	10.4
89.02985	0.6
95.01390	3.4
96.96031	0.8
97.02955	3.2
99.00890	12.2
99.04531	0.3
101.02452	53.5
102.02802	1.0
108.02174	0.5
109.02961	0.7
111.00880	2.0
113.02465	18.2
115.04034	1.6
119.03532	0.7
123.04593	0.3
125.02464	3.9
127.04034	0.3
129.01959	1.2
131.03511	3.4
141.01984	0.5
141.12888	0.7
143.03513	2.3
143.14438	0.5
149.04570	1.5
159.02994	3.8
161.04565	15.3
168.00659	0.4
171.10286	0.5
185.15457	0.5
191.05737	0.6
205.03568	0.7
205.76418	0.4
209.11801	0.5
213.14952	0.7
233.06664	2.8
293.08707	1.1
305.19678	78.3
306.20047	6.4
349.18683	1.0
364.99554	0.4
373.00400	0.4
437.23914	100.0
438.13574	1.0
438.24295	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	437.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94238	3.9
57.03441	6.2
58.92450	3.9
59.01378	90.8
61.98831	38.2
63.65678	3.7
67.01888	4.1
71.01381	59.4
71.69259	5.7
73.02945	19.2
73.36265	4.0
77.73326	4.5
83.01394	10.9
84.86022	4.0
85.02962	23.8
87.00871	9.7
87.24677	4.2
88.98813	6.1
89.02444	35.1
95.01378	10.3
97.02954	4.5
99.00890	7.5
101.02453	43.2
107.01392	7.8
107.09010	4.5
108.02193	10.8
109.02982	8.9
109.06657	5.9
111.00893	9.8
113.02453	28.0
115.92081	44.4
116.92105	5.6
116.92842	20.2
117.03411	6.0
119.03515	9.9
119.05054	13.8
120.99670	5.2
121.02962	8.2
122.03756	6.5
123.00880	20.6
123.04524	18.7
125.02472	50.7
131.03514	12.0
131.05067	5.9
137.02435	6.1
139.00304	5.0
142.94391	5.4
143.03462	5.0
145.02951	4.6
149.02498	6.4
149.04582	9.6
150.03223	5.6
151.00366	6.8
152.01134	14.3
153.01962	7.8
153.30630	5.0
157.08716	6.5
159.02963	6.3
159.04477	3.9
161.04587	21.8
161.68050	4.3
163.04082	9.4
165.05609	5.4
167.03494	9.2
168.00621	7.5
169.01440	60.8
170.01703	9.3
173.02412	7.0
179.05577	8.0
185.02580	5.8
203.03375	5.6
209.04456	7.3
210.97141	6.3
213.01915	7.5
221.11841	5.1
228.98090	11.5
229.01410	9.6
231.06673	5.0
239.12646	4.2
257.00812	4.0
266.39731	4.3
274.01248	9.4
305.16061	47.0
313.05563	11.4
323.01013	4.4
364.99146	9.2
374.11902	28.4
377.18021	5.9
407.00745	8.3
419.06216	9.9
437.11267	100.0
437.16046	24.5
437.20505	11.3
438.11319	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	437.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.0
61.98831	0.8
64.54779	0.4
67.01900	0.6
69.03452	1.0
69.62443	3.2
71.01388	4.7
73.02942	1.0
73.17278	0.4
74.12444	0.3
79.01882	0.8
82.36614	0.3
83.01397	0.9
85.02962	1.6
88.60294	0.3
89.02457	1.5
89.20637	0.4
93.03468	4.0
93.76067	0.4
95.01400	1.5
97.02956	1.1
101.02440	2.8
107.01398	6.8
108.02235	0.4
109.02958	3.6
111.00914	2.4
113.02445	2.4
117.79450	0.4
119.03564	0.4
121.02975	14.4
121.03844	0.9
122.03841	0.6
123.00903	10.2
123.04536	15.8
124.01689	4.9
124.04884	0.6
125.02466	41.2
126.02757	0.6
127.00435	0.6
135.04578	0.7
136.98811	1.0
137.02426	1.2
139.00404	3.0
139.04027	2.0
140.01216	2.3
141.01932	1.2
149.02533	0.5
150.47858	0.4
151.00378	6.5
151.04016	0.4
153.01939	5.9
161.04564	0.6
163.04062	0.5
165.01985	0.7
167.03546	1.2
167.07143	8.3
168.00682	2.5
168.07501	0.7
169.01440	60.5
170.01744	2.1
179.03490	0.5
181.29625	0.4
183.03075	0.4
184.34866	0.4
193.01494	0.7
195.02943	0.5
196.99669	0.5
201.11255	0.6
211.02509	3.3
223.02405	0.6
225.48851	0.5
241.03299	0.8
253.03574	0.7
271.04550	1.4
297.06158	1.8
299.21533	0.4
303.00122	0.5
304.00171	0.5
305.01025	0.6
309.00171	0.5
311.07861	0.6
313.05634	15.6
313.09274	0.9
314.06061	0.7
331.06677	6.2
332.07138	0.6
357.00821	0.6
364.99304	1.5
436.98834	2.9
437.10883	100.0
438.11209	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	437.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.9
62.34340	0.6
71.01386	5.2
89.02456	1.6
93.03459	1.1
101.02447	2.3
107.01395	2.7
108.02159	3.8
109.02411	0.9
109.03034	1.6
111.00871	2.1
113.02450	0.6
123.00883	2.4
124.01676	2.1
125.02466	26.6
126.02767	0.7
134.69688	0.7
136.98749	1.9
137.02446	2.1
138.02835	0.8
139.00388	3.0
139.02995	0.9
139.04002	1.0
140.01157	2.3
143.60944	0.6
146.61913	0.7
151.00368	1.9
151.24272	0.6
152.01213	3.5
153.01636	2.1
154.01552	1.1
159.19673	0.7
165.01958	1.6
167.03464	1.8
168.00667	15.4
169.01453	39.6
170.01773	1.4
195.06737	1.0
211.02495	70.7
212.02890	3.9
241.03439	1.3
271.04581	100.0
272.04892	4.8
289.15503	1.5
313.05936	0.9
317.07553	1.1
331.06680	14.8
332.06952	0.9
364.99512	1.6
436.98019	2.6
437.10742	52.6
438.11139	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	437.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73836	0.5
59.01377	5.2
59.01620	0.5
61.98833	6.6
69.46263	1.8
69.46695	2.4
71.01388	4.0
73.02984	1.0
85.02985	0.9
88.98778	0.5
89.02481	1.8
96.03007	0.5
98.20603	1.0
101.02480	2.9
101.19006	0.4
109.02991	1.2
113.02469	1.5
113.06193	0.4
115.04057	0.9
119.03542	0.7
121.02971	0.9
123.00928	0.7
123.04511	0.6
124.01699	1.1
125.02480	3.5
126.02805	0.7
135.06683	0.9
139.04025	5.9
146.03712	0.5
150.03305	0.7
151.00563	0.5
152.01137	0.7
153.01956	1.2
157.08720	1.9
161.02522	0.6
161.04578	1.1
165.05582	0.7
165.58707	0.4
167.03558	0.7
168.00677	0.9
169.01439	3.8
170.01831	1.2
173.02463	0.5
174.03262	1.2
177.01984	0.5
178.02695	0.5
179.03496	0.7
179.05702	0.7
180.00755	0.7
182.02209	0.5
183.03082	0.5
189.01953	4.7
190.02733	18.3
191.03079	0.6
193.01434	0.5
195.03030	0.8
200.01143	1.4
201.01996	0.7
202.02715	3.9
205.01576	0.6
211.02567	0.6
211.06218	0.7
213.02017	0.4
214.54332	0.5
217.01375	1.2
218.02211	20.3
219.02614	0.9
222.01698	1.7
228.00626	5.4
229.01399	4.0
230.02098	1.3
245.00957	2.7
246.01659	3.8
247.02231	0.6
256.00186	3.2
257.00928	9.0
258.01617	0.6
273.00421	1.8
274.01175	100.0
275.01807	14.5
276.02231	0.8
297.11899	2.1
305.16000	0.9
313.05569	0.6
364.99319	0.9
377.18320	1.1
401.14886	2.0
437.07172	95.6
438.07422	8.1
438.12772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.7
61.01825	0.4
61.98830	100.0
69.38772	1.2
69.39196	2.1
71.01366	0.6
94.00640	0.3
98.20638	0.6
99.50131	0.3
125.02503	0.6
137.97563	0.3
169.01445	0.9
376.07388	0.5
436.09903	0.9
436.30069	0.5
437.09952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.3
59.28159	0.4
59.71187	0.5
61.98875	1.3
69.73560	3.3
71.01378	2.2
73.02993	0.7
85.03011	0.9
89.02516	1.8
93.03467	4.3
95.01464	0.5
96.99358	0.4
101.02522	1.7
103.16232	0.4
106.04301	0.5
107.01438	0.9
109.02991	0.4
111.00951	1.8
113.02527	1.6
115.81198	0.3
123.00986	1.8
123.04546	3.5
125.02480	4.7
127.07719	0.9
137.02467	7.2
141.03625	0.4
146.03728	0.6
147.04575	0.6
151.00432	0.9
157.05301	0.4
159.04558	0.6
161.02538	0.5
161.04637	1.4
163.04135	0.5
163.07701	0.6
169.01425	5.7
173.02443	1.0
174.03256	1.1
175.04008	0.9
177.01994	0.7
179.05643	0.7
185.02455	0.7
189.01915	3.8
190.02716	15.8
191.03432	1.0
200.01225	1.1
201.01974	1.9
202.02713	3.3
203.03404	2.3
203.10812	1.4
205.01485	0.7
213.01913	0.5
217.01466	1.7
218.02209	16.0
219.02858	1.3
221.11833	3.8
222.01718	1.6
228.00627	4.7
229.01385	6.4
230.02129	0.5
231.02988	1.0
245.00954	3.1
246.01695	2.5
247.02544	1.0
256.00146	1.5
257.00900	12.3
258.01602	2.4
273.00385	2.6
274.01172	100.0
275.01923	55.6
276.02322	3.7
281.06668	4.4
313.05527	2.1
370.00684	0.5
383.17038	0.7
393.08279	5.3
401.18146	1.3
404.25745	0.4
437.07040	97.3
437.15207	6.7
438.07303	8.1
438.16449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03446	0.7
59.01128	0.5
59.01387	5.3
61.98831	15.5
65.00272	0.3
67.01884	0.6
68.99786	0.3
69.03432	0.6
70.16016	1.5
71.01028	0.4
71.01385	4.3
71.27882	0.3
72.99295	0.8
73.02939	1.2
79.01888	0.4
83.01391	1.3
85.02966	2.4
87.00880	0.6
89.02463	1.6
95.01392	1.3
97.02940	0.8
99.00878	0.7
101.02451	3.4
107.01396	2.1
108.02189	0.4
109.02952	0.7
109.83601	0.3
110.00124	0.5
111.00908	2.3
112.26942	0.3
113.02462	1.8
119.03502	0.4
122.02479	1.4
122.03767	0.4
122.99989	0.4
123.00895	10.6
123.04532	1.6
124.01721	1.4
125.02464	12.5
126.02826	0.3
127.00350	0.5
133.03003	0.3
136.03993	0.5
136.98825	1.4
137.02420	0.7
138.01871	0.3
139.00386	4.0
139.04027	0.8
140.01138	2.9
141.01968	1.7
150.03209	0.4
151.00392	8.9
151.04057	0.4
153.01884	0.6
155.98643	0.4
157.08694	1.0
161.04576	0.4
163.04097	0.7
166.02495	0.3
167.03525	0.7
167.86034	0.3
168.00647	4.0
169.01436	16.9
170.01822	0.4
179.03511	0.4
179.05740	0.4
180.03804	0.3
181.05032	0.7
197.11874	0.3
211.02399	0.8
211.70177	0.3
219.02948	0.3
253.03571	0.4
274.01041	0.4
289.07016	0.8
295.46753	0.4
297.11948	0.9
305.16006	0.4
313.05707	1.8
317.06491	0.4
346.14899	0.4
347.07767	1.4
363.59897	0.4
364.99396	0.4
373.11389	100.0
374.11789	7.3
377.18158	0.6
436.08740	2.7
437.10950	7.1
437.16327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45655	0.5
53.92441	0.5
57.03452	1.3
59.01380	80.6
60.01720	1.0
60.99324	0.4
61.98828	1.5
67.64177	0.5
71.01383	3.8
71.52110	0.7
71.52431	0.5
72.99316	0.5
73.02959	0.7
75.00920	0.6
85.02955	4.0
87.00883	1.3
89.02454	2.0
93.03467	1.1
95.01398	0.7
97.06602	1.0
97.41760	0.5
99.00918	0.7
99.04544	1.8
101.02453	4.2
101.13800	0.5
105.01962	1.0
108.02193	1.0
109.02980	1.6
109.06712	0.5
113.02460	2.1
119.03587	0.7
123.00941	0.7
123.04549	1.4
125.02499	1.7
137.02461	2.2
139.11337	0.6
147.03043	0.9
151.00398	0.7
152.01178	1.0
153.01976	2.9
153.05568	1.4
153.09242	0.5
161.04672	0.6
164.04828	0.5
165.04100	1.2
165.12859	2.0
167.10863	0.7
169.01430	2.1
169.54028	0.5
207.13875	3.0
209.11819	7.2
225.14955	5.9
227.12891	41.8
228.13271	2.7
243.12425	4.0
251.13022	0.9
269.13940	6.9
270.14279	0.6
281.06586	2.3
287.14999	100.0
288.15381	5.6
299.99222	0.5
300.99503	0.8
301.99686	1.8
303.00266	0.9
313.05652	2.2
313.60242	0.5
339.58252	0.6
387.95322	0.6
435.04294	1.7
435.13443	2.2
435.18362	42.6
435.30295	6.1
436.13922	0.7
436.18918	3.8
436.29956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.9
59.01377	1.9
69.68613	2.6
69.69038	3.0
71.01392	3.9
85.02950	1.3
85.83369	0.7
87.00890	4.0
89.02482	0.9
95.01413	0.8
98.20576	1.5
99.00890	0.9
101.02460	2.9
111.00903	3.1
113.02448	1.7
121.02988	1.4
123.00908	1.1
125.02467	1.0
145.02974	3.3
146.03743	0.9
147.04498	0.7
147.40736	0.7
149.01247	1.0
149.02472	26.5
150.03255	40.5
151.03627	0.9
157.09256	0.7
159.66867	0.6
161.02489	1.5
161.04593	4.7
162.03302	3.0
163.04077	1.4
164.04816	17.2
165.05598	100.0
166.05988	3.7
169.01477	1.6
177.05623	1.9
180.04358	3.2
195.06641	36.0
196.07042	1.1
207.06714	0.9
230.92050	0.7
267.44629	0.7
327.10898	33.3
328.11136	1.1
339.11057	0.8
357.11987	1.5
396.31934	0.8
406.20328	0.8
435.11377	5.6
436.42877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45655	0.5
53.92441	0.5
57.03452	1.3
59.01380	80.6
60.01720	1.0
60.99324	0.4
61.98828	1.5
67.64177	0.5
71.01383	3.8
71.52110	0.7
71.52431	0.5
72.99316	0.5
73.02959	0.7
75.00920	0.6
85.02955	4.0
87.00883	1.3
89.02454	2.0
93.03467	1.1
95.01398	0.7
97.06602	1.0
97.41760	0.5
99.00918	0.7
99.04544	1.8
101.02453	4.2
101.13800	0.5
105.01962	1.0
108.02193	1.0
109.02980	1.6
109.06712	0.5
113.02460	2.1
119.03587	0.7
123.00941	0.7
123.04549	1.4
125.02499	1.7
137.02461	2.2
139.11337	0.6
147.03043	0.9
151.00398	0.7
152.01178	1.0
153.01976	2.9
153.05568	1.4
153.09242	0.5
161.04672	0.6
164.04828	0.5
165.04100	1.2
165.12859	2.0
167.10863	0.7
169.01430	2.1
169.54028	0.5
207.13875	3.0
209.11819	7.2
225.14955	5.9
227.12891	41.8
228.13271	2.7
243.12425	4.0
251.13022	0.9
269.13940	6.9
270.14279	0.6
281.06586	2.3
287.14999	100.0
288.15381	5.6
299.99222	0.5
300.99503	0.8
301.99686	1.8
303.00266	0.9
313.05652	2.2
313.60242	0.5
339.58252	0.6
387.95322	0.6
435.04294	1.7
435.13443	2.2
435.18362	42.6
435.30295	6.1
436.13922	0.7
436.18918	3.8
436.29956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73132	0.2
57.03221	0.2
57.03450	1.7
59.01383	5.8
61.98835	19.5
63.63581	0.2
65.00330	0.9
67.01876	0.3
69.03461	0.2
71.01400	1.4
71.05008	0.3
72.01722	0.2
73.02940	0.5
75.29509	0.2
79.51889	0.2
81.03465	10.3
83.01385	4.4
83.05042	0.6
85.02980	0.7
87.00936	0.2
87.04503	0.5
87.14054	0.2
89.02463	1.3
93.03469	7.3
93.04064	0.4
95.01390	0.5
95.05045	0.5
99.04536	0.5
101.02457	0.7
102.39176	0.2
107.01413	1.4
109.02963	0.6
111.04549	0.3
111.08162	0.3
113.02498	0.5
119.03620	0.4
119.05048	10.0
120.05389	0.3
120.99719	0.2
121.03014	0.4
123.04543	29.0
124.01691	0.2
124.04888	0.7
125.02466	15.8
128.76469	0.3
135.04544	1.6
137.02454	0.5
139.11285	0.7
145.03032	0.6
147.04518	0.4
149.02487	2.5
151.00401	4.6
151.04007	0.3
151.11334	0.3
152.01088	0.3
153.01964	5.8
161.02554	0.2
161.04503	0.3
163.04002	0.4
165.05569	0.5
167.03519	78.9
167.10797	0.6
168.03850	2.7
169.01419	0.6
169.06694	0.4
170.01759	0.2
171.04599	0.3
177.01993	1.4
179.03502	8.4
180.03911	0.4
187.07687	0.6
187.13354	0.4
189.05557	1.7
190.02643	0.4
191.03505	1.3
195.03056	0.3
195.10295	2.7
199.13335	0.3
209.18407	0.2
211.07532	0.5
229.08806	1.0
255.06544	0.5
262.86020	0.2
273.07672	100.0
274.08017	7.2
277.58176	0.2
293.11893	0.2
297.07593	0.5
299.99109	0.3
301.99780	0.6
303.00433	0.3
315.08875	0.3
375.20010	0.3
375.27527	2.1
376.27945	0.3
397.15067	0.3
417.28586	0.9
435.04282	0.4
435.13776	2.4
435.29700	7.3
436.29922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1298
Annotation	Monnieraside III
Peak:m/z	Relative Intensity
55.01876	1.0
55.98473	0.5
57.03441	1.6
57.21667	0.4
57.22326	0.5
58.00587	0.6
59.01379	23.2
61.98823	2.6
67.49553	0.5
69.03452	0.9
69.44623	5.2
71.01388	13.2
72.99326	1.1
73.02948	3.7
74.16386	0.5
75.00890	0.6
83.01396	2.3
83.05055	0.5
85.02956	6.4
87.00873	1.0
87.04536	0.6
89.02459	3.5
93.03471	23.0
95.01413	2.0
95.05029	1.9
96.99346	0.6
97.02930	0.7
99.00938	1.0
99.04509	0.7
101.02460	14.0
108.02184	2.2
109.02954	1.7
113.02464	5.3
119.03505	1.6
121.02940	2.8
122.03704	1.0
123.00981	1.2
123.04539	84.2
124.04894	2.7
125.02436	2.6
125.83509	0.5
135.04558	1.8
136.01671	2.4
137.02466	53.4
138.02818	1.3
139.11331	2.1
149.02481	0.6
149.09686	0.5
151.00348	0.5
151.04016	2.1
152.01164	1.4
153.01973	2.1
153.05592	70.5
154.05948	3.0
157.81171	0.5
161.04619	1.0
163.04001	0.6
164.04668	0.5
165.12877	0.4
165.18311	0.5
166.02692	1.4
169.01421	2.0
179.03531	1.4
179.05693	0.5
181.05029	1.2
181.12366	1.4
183.10245	2.1
186.24620	0.6
187.04077	0.6
191.03516	1.2
191.05583	0.5
202.42104	0.5
205.05035	1.1
209.11879	0.9
221.04686	0.6
221.08372	0.8
225.11540	0.7
227.12892	3.0
243.12343	12.6
244.12703	0.6
255.16090	1.6
269.13916	0.8
281.06665	100.0
282.06958	6.6
285.13373	1.2
287.14996	6.3
288.15497	0.7
299.98990	0.9
300.99811	1.0
301.03412	0.8
301.99805	3.2
303.00363	2.0
313.05533	1.5
315.10645	1.3
345.15552	1.7
375.07019	0.5
387.14493	3.0
435.04187	2.4
435.13885	8.4
435.18167	2.8
435.22205	3.9
435.30414	6.3
436.13272	0.9
450.30075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1299
Annotation	Trilobatin
Peak:m/z	Relative Intensity
51.27904	0.2
52.59682	0.2
57.03445	2.0
59.01380	4.7
61.98829	13.7
62.62679	0.2
65.00315	1.0
69.03450	0.3
69.42822	0.8
69.43249	1.1
71.01385	1.0
72.99300	0.2
73.02946	0.4
81.03464	9.5
82.03829	0.3
83.01389	4.5
83.01866	0.3
83.05036	0.5
84.01732	0.2
85.02962	0.7
87.00877	0.2
89.02447	0.9
93.03464	7.6
93.07137	0.2
95.01401	0.6
95.05033	0.6
101.02467	0.4
107.01380	1.4
109.02979	0.3
109.06677	0.2
111.04542	0.4
113.02486	0.7
119.05045	9.9
120.05388	0.3
121.02967	0.3
123.00908	0.4
123.04539	29.3
124.04887	0.7
125.02460	15.8
126.02795	0.6
135.04575	1.3
137.02495	0.5
139.04080	0.3
139.11298	0.3
141.09210	0.2
147.04539	0.3
149.02441	2.3
151.00391	3.2
151.03944	0.2
151.96486	0.2
153.01965	3.1
153.09142	0.2
163.04027	0.3
163.07684	0.2
165.05505	0.3
166.02747	0.3
167.03511	81.1
168.03859	3.4
169.01390	0.3
169.06616	0.3
176.71516	0.2
177.01968	0.6
179.03513	8.5
180.03873	0.3
187.07695	0.7
187.13463	0.6
189.05586	1.8
190.02800	0.2
191.03535	1.0
195.10277	1.6
211.07707	0.5
213.05286	0.2
229.08728	0.9
255.06610	0.8
273.07672	100.0
274.08014	7.8
297.07617	0.4
301.99728	0.2
303.00333	0.2
315.08725	0.8
375.27377	2.3
376.27954	0.3
405.21719	0.3
417.28635	0.3
435.04416	0.5
435.13312	2.1
435.24283	0.3
435.29730	5.8
436.18503	0.3
436.30194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
56.23742	0.3
57.44640	0.3
58.00591	0.6
59.01382	7.2
59.70026	0.3
61.98826	0.3
67.01893	0.9
69.03448	0.5
69.35236	0.3
71.01390	5.5
71.02615	0.7
71.98762	0.4
72.99309	0.7
73.02937	1.2
79.01896	1.1
79.38932	0.3
83.01395	1.4
85.02966	2.2
87.00906	1.6
89.02463	3.1
95.01391	1.5
99.00871	0.4
101.02451	4.3
107.01401	4.9
108.36378	0.4
111.00900	2.7
113.02460	2.0
117.97300	0.3
119.03506	1.3
121.02983	0.4
121.05072	2.3
123.00901	15.1
124.01732	0.9
125.02462	19.1
126.02804	0.4
127.00401	0.7
128.24220	0.4
136.98822	1.3
137.02440	0.7
139.00389	3.2
139.03984	0.4
140.01199	2.5
141.01959	1.8
143.03502	0.4
147.04517	0.3
149.02466	5.6
150.03255	8.5
151.00389	10.3
152.00748	0.3
153.01965	0.7
156.82751	0.3
159.03055	0.4
161.02437	0.7
161.04587	1.2
162.03185	0.5
163.04019	0.5
164.04822	3.2
165.05597	18.3
166.05949	0.7
168.00662	3.1
169.01451	28.3
170.01778	0.8
177.05414	0.4
180.04364	0.6
195.06660	5.7
209.04581	0.4
211.02472	4.0
212.02893	0.5
253.03629	0.5
255.04988	0.4
271.04578	6.1
272.05017	0.4
313.05588	2.7
327.10837	5.0
328.11133	0.3
435.11435	100.0
436.11707	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	435.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66474	0.5
57.03421	0.9
59.01382	23.8
61.98831	32.5
69.03458	1.0
71.01389	5.7
71.70129	1.2
72.99313	0.7
73.02948	1.8
75.00874	1.5
81.03466	1.1
83.01385	1.0
85.02956	3.9
85.27164	0.6
87.00871	0.8
87.04504	0.6
88.98773	0.6
89.02453	1.7
93.03468	58.3
94.03810	1.7
95.01412	1.4
95.36275	0.5
96.96061	0.8
97.02991	0.7
99.00891	0.7
101.02464	3.6
107.04996	0.5
108.02188	53.5
109.02985	22.1
110.03293	0.7
111.00859	0.6
113.02449	1.9
115.00350	1.0
121.02972	1.8
123.00910	1.3
123.04532	1.3
124.01665	0.8
125.02477	2.8
133.01424	1.5
135.04556	0.8
137.02464	89.8
138.02786	3.2
147.75233	0.6
151.00339	1.2
151.04008	1.2
152.01175	77.8
153.01962	33.7
153.02921	0.4
153.03267	0.6
154.02357	1.0
155.10808	0.6
161.02429	1.2
161.04594	1.2
163.04025	1.1
165.01936	1.4
167.03477	3.0
168.00673	1.4
169.01521	0.7
173.04578	1.0
177.01993	0.6
191.03407	0.5
195.02982	0.8
195.06393	0.6
201.11101	0.5
211.13414	0.8
211.87521	0.5
213.05531	0.7
217.14450	1.3
219.03175	1.4
230.99496	0.7
231.16077	0.7
240.06810	0.7
271.15601	1.0
272.16010	0.7
273.07755	3.0
273.16187	0.8
273.20691	0.7
279.05222	1.1
297.06122	17.8
298.06516	0.8
299.98892	0.6
300.99564	0.6
301.99698	2.1
303.00433	1.4
303.18121	2.5
315.07187	17.3
316.07425	1.2
338.06308	0.9
351.36981	0.5
375.20096	2.1
375.27609	1.6
397.77136	0.6
435.09323	100.0
435.20920	3.2
435.29788	5.5
436.09589	10.4
436.18927	0.8
436.29861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01681	0.6
57.03493	0.8
59.01379	14.2
59.35304	0.5
61.98529	1.5
61.98885	20.0
69.03498	1.4
69.48582	1.5
69.49001	4.2
71.01438	2.3
73.03012	1.7
81.03518	1.0
83.01473	0.8
85.03027	1.0
87.00923	0.6
89.02513	0.9
91.01984	1.0
93.03467	10.3
95.01450	1.1
95.05109	2.0
97.03013	1.7
98.20652	1.1
101.02507	1.1
107.01476	0.7
108.02246	1.2
109.02967	16.3
113.02547	0.6
117.03565	2.4
119.05077	1.4
121.02964	6.3
121.10299	0.7
123.00907	4.7
123.04534	15.2
124.01682	10.6
125.02462	35.6
126.02892	1.2
133.03055	2.3
135.04626	0.8
136.01778	0.9
137.02466	3.4
141.09247	0.8
145.02985	8.0
147.04539	3.2
149.02492	1.1
149.99603	20.8
150.03325	0.8
151.00421	2.4
151.04030	6.8
151.05028	0.5
152.01241	1.1
159.04579	1.5
161.02538	2.6
161.06204	0.7
162.03362	0.7
165.02037	0.6
167.03622	1.7
168.00655	38.7
169.01443	5.1
176.01282	0.8
177.01941	25.0
178.02306	0.8
179.03598	0.8
187.03999	2.8
189.01945	52.0
190.02695	12.1
191.03519	10.0
192.03964	0.8
199.13560	1.0
203.03525	5.8
203.07166	0.7
209.04604	0.7
216.00621	9.2
217.01427	36.4
217.14441	1.9
218.02036	3.6
219.02979	14.4
231.02977	11.8
232.03627	1.8
233.04533	2.0
241.05099	1.7
269.04385	1.2
271.06131	3.6
273.07776	1.1
281.04684	1.8
283.06110	1.8
289.07166	4.2
297.07806	1.4
301.99808	1.1
311.05557	4.2
312.06345	0.8
313.05539	0.8
323.05637	0.9
341.06668	100.0
342.06970	9.9
375.20093	0.9
375.27567	5.0
417.08188	2.3
435.09830	82.2
435.29816	5.6
436.10278	10.5
444.84940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0935
Annotation	7-O-Methylmangiferin
Peak:m/z	Relative Intensity
57.03442	0.6
58.77737	0.4
59.01381	21.4
60.01710	1.1
61.01801	0.5
61.98832	20.7
69.03455	3.5
71.01378	2.3
71.05019	0.6
73.02951	1.8
74.32280	0.4
81.03460	1.3
83.01395	1.5
85.02950	1.2
87.00884	0.6
93.03473	1.9
95.01391	1.2
95.05103	0.5
97.02961	3.5
97.06611	0.6
101.02480	0.9
107.01409	1.2
107.05014	0.5
108.02200	1.2
109.02967	5.3
113.02438	0.8
119.05062	0.8
121.02974	8.6
123.00900	7.0
123.04549	3.7
124.01681	18.8
125.02463	55.6
126.02802	1.2
132.50177	0.5
133.02965	0.7
136.01666	0.7
137.02473	3.3
141.09267	0.7
145.02979	1.8
147.04562	0.9
149.02473	0.8
149.99602	33.2
151.00403	3.5
151.04034	4.2
153.09312	0.6
159.04643	0.5
161.02423	1.0
161.04576	0.5
163.04013	0.5
165.01906	0.7
167.03494	1.6
167.10794	0.6
168.00655	57.7
169.01448	5.7
177.01939	5.9
179.03596	0.6
181.05199	0.4
187.13412	1.0
189.00238	0.7
189.01941	11.0
190.02715	2.4
191.01974	0.5
191.03482	3.0
193.01428	0.5
203.03517	1.7
209.04536	1.0
216.00616	2.0
216.13530	0.7
217.01436	6.4
218.01907	0.7
219.03020	2.8
224.98177	0.4
229.44440	0.4
231.02921	2.1
244.25990	0.4
271.06052	0.9
273.07587	1.6
274.49765	0.4
281.04559	0.6
283.06131	0.6
289.07254	1.6
297.07758	0.6
301.99710	1.0
303.00241	0.7
311.05515	1.0
313.05728	2.0
341.06674	22.5
342.06982	1.9
375.27502	14.7
417.08127	3.1
417.28448	0.6
435.09348	100.0
435.29657	4.7
436.09705	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	435.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66474	0.5
57.03421	0.9
59.01382	23.8
61.98831	32.5
69.03458	1.0
71.01389	5.7
71.70129	1.2
72.99313	0.7
73.02948	1.8
75.00874	1.5
81.03466	1.1
83.01385	1.0
85.02956	3.9
85.27164	0.6
87.00871	0.8
87.04504	0.6
88.98773	0.6
89.02453	1.7
93.03468	58.3
94.03810	1.7
95.01412	1.4
95.36275	0.5
96.96061	0.8
97.02991	0.7
99.00891	0.7
101.02464	3.6
107.04996	0.5
108.02188	53.5
109.02985	22.1
110.03293	0.7
111.00859	0.6
113.02449	1.9
115.00350	1.0
121.02972	1.8
123.00910	1.3
123.04532	1.3
124.01665	0.8
125.02477	2.8
133.01424	1.5
135.04556	0.8
137.02464	89.8
138.02786	3.2
147.75233	0.6
151.00339	1.2
151.04008	1.2
152.01175	77.8
153.01962	33.7
153.02921	0.4
153.03267	0.6
154.02357	1.0
155.10808	0.6
161.02429	1.2
161.04594	1.2
163.04025	1.1
165.01936	1.4
167.03477	3.0
168.00673	1.4
169.01521	0.7
173.04578	1.0
177.01993	0.6
191.03407	0.5
195.02982	0.8
195.06393	0.6
201.11101	0.5
211.13414	0.8
211.87521	0.5
213.05531	0.7
217.14450	1.3
219.03175	1.4
230.99496	0.7
231.16077	0.7
240.06810	0.7
271.15601	1.0
272.16010	0.7
273.07755	3.0
273.16187	0.8
273.20691	0.7
279.05222	1.1
297.06122	17.8
298.06516	0.8
299.98892	0.6
300.99564	0.6
301.99698	2.1
303.00433	1.4
303.18121	2.5
315.07187	17.3
316.07425	1.2
338.06308	0.9
351.36981	0.5
375.20096	2.1
375.27609	1.6
397.77136	0.6
435.09323	100.0
435.20920	3.2
435.29788	5.5
436.09589	10.4
436.18927	0.8
436.29861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0934
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
53.48534	0.6
59.01385	15.5
71.01401	4.6
71.08557	1.9
73.02934	1.6
81.03508	0.6
83.01403	1.6
85.02956	3.2
89.02466	0.8
93.03477	12.3
93.38645	0.5
95.01382	2.5
99.00896	0.7
101.02463	3.1
107.01407	1.0
108.02197	50.8
109.02986	31.2
113.02460	1.5
121.03008	2.8
121.03722	0.6
123.00935	1.9
124.03403	0.6
125.02492	2.8
136.01682	1.0
137.02480	19.9
151.00433	0.8
152.01189	64.1
153.01984	24.8
153.03252	1.2
154.02264	1.1
156.16219	0.6
163.04106	0.7
166.15216	0.5
169.01430	3.7
177.58578	0.5
179.03375	0.5
189.51517	0.6
209.11813	1.5
225.15028	0.9
227.12915	7.1
269.13928	1.4
281.06729	4.9
287.15042	20.0
288.15292	1.0
313.05612	2.6
315.07330	7.8
391.10297	1.7
403.18927	0.7
435.09351	100.0
435.17899	6.6
436.09686	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	435.0935
Annotation	CHEBI:75740
Peak:m/z	Relative Intensity
51.02859	0.5
55.71628	0.5
59.01382	9.7
61.98832	2.4
65.56393	0.5
71.01385	5.3
71.06360	1.1
71.08454	0.5
72.99323	0.7
73.02946	1.8
75.00900	0.6
76.47058	0.5
81.03513	0.6
83.01403	1.0
85.02966	2.5
87.00910	0.6
89.02454	2.2
91.01892	0.9
93.03467	12.0
95.01436	0.9
99.00945	0.9
101.02469	3.7
103.80364	0.6
108.02184	12.8
109.02968	83.5
110.03313	2.2
113.02452	3.0
119.03531	0.8
121.02968	1.6
123.00906	2.3
123.04587	1.4
125.02470	3.6
127.07685	0.6
137.02469	16.5
138.02788	0.7
139.11243	0.7
151.00397	1.1
151.04037	0.7
152.01173	19.4
153.01956	83.3
154.02312	2.1
158.23962	0.5
164.91986	0.6
166.02773	1.4
166.85677	0.7
169.01436	2.6
181.05086	1.6
217.10771	1.5
227.12807	1.0
229.98648	0.7
243.12398	0.7
251.83698	0.6
269.04401	0.7
281.06537	1.4
287.14883	1.5
297.06244	1.1
299.99084	1.1
300.99695	1.4
301.99805	3.0
303.00516	1.8
312.06055	0.9
313.05621	1.8
315.07224	18.7
316.07660	1.4
327.08795	1.5
342.11166	1.4
357.13416	4.8
435.04504	3.9
435.09351	100.0
436.09753	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	434.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03462	0.4
58.71699	0.2
59.01384	6.7
59.42872	0.2
60.01734	0.7
61.98834	100.0
63.99266	0.4
69.06287	0.2
70.19061	0.2
70.60981	0.6
70.61391	0.7
71.01395	2.4
73.02959	0.5
75.00900	0.3
78.95914	0.4
85.02966	0.8
89.02480	1.2
93.03501	0.4
96.96976	0.4
101.02453	1.4
109.02959	0.5
113.02447	0.7
119.03541	0.4
125.02497	0.4
129.65276	0.3
135.04562	0.6
137.02509	0.5
152.01219	0.3
152.60825	0.3
153.01996	0.4
155.10834	0.3
161.04643	0.3
168.00687	0.4
171.48000	0.3
173.04533	0.3
177.01880	0.3
180.16302	0.3
184.39636	0.2
210.15887	0.3
212.13806	0.7
213.15042	0.4
271.15704	0.6
272.15930	1.2
273.20746	0.6
299.99100	1.9
300.99536	6.7
302.00195	4.0
303.00436	0.4
303.18213	1.1
326.18057	1.3
341.06735	0.4
348.17883	0.6
375.27615	0.3
418.82532	0.3
434.04544	6.0
434.10239	0.5
434.21069	0.5
434.28821	0.4
435.04553	0.5
435.09930	0.6
435.22086	1.3
435.30133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01381	7.1
60.01720	0.8
60.68897	0.3
61.98832	100.0
62.98529	0.6
63.40966	0.3
63.99257	0.7
69.71258	2.4
71.01402	1.4
72.99312	0.4
73.02946	0.4
81.90752	0.3
83.01418	0.4
85.02975	1.2
87.09447	0.3
89.02460	1.1
95.01405	0.8
101.02464	1.1
103.69498	0.3
104.33389	0.3
105.00191	0.3
105.17053	0.3
107.00771	0.3
107.01385	1.3
111.00912	0.7
113.02477	0.7
117.80340	0.3
119.03488	0.4
121.03006	1.6
123.00907	4.0
123.04466	0.3
125.02461	5.0
135.04561	1.3
136.98831	0.5
139.00397	1.0
140.01167	0.8
141.01945	0.6
145.02924	0.4
151.00365	2.3
163.21173	0.3
165.02025	0.3
167.03543	0.4
168.00691	1.4
169.01456	6.8
169.02806	0.5
199.13379	0.4
207.03067	0.4
211.02441	2.5
271.04636	0.4
299.99097	1.6
300.99576	5.0
301.02911	0.5
302.00214	2.7
307.75702	0.3
313.05679	0.4
334.33234	0.3
375.27603	0.4
434.04425	4.5
434.28778	2.2
435.13412	15.9
435.29611	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	434.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.0
61.98831	100.0
71.01385	2.2
71.44557	0.3
73.02955	0.6
85.02968	0.2
89.02451	3.8
99.00898	1.2
101.02455	1.7
113.02488	0.6
119.03538	0.4
122.41553	0.2
125.02480	0.3
131.03526	0.8
137.02481	0.4
149.04573	2.2
156.15233	0.2
165.01959	0.4
166.02289	0.2
179.05678	0.3
191.05621	0.5
208.00142	0.8
209.00780	0.8
210.01378	0.3
299.99146	0.3
300.99573	0.9
302.00305	0.6
434.04395	1.0
435.22751	0.9
435.28287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14247	0.2
57.51794	0.2
58.15261	0.2
59.01379	3.7
60.01714	0.3
61.98833	100.0
71.01397	0.7
71.73720	0.3
85.02967	0.2
88.16556	0.2
89.02469	0.2
93.03497	0.2
101.02477	0.3
121.02911	0.2
123.00928	0.3
125.02496	0.6
137.02440	0.4
151.00388	0.3
153.01962	1.8
154.05408	0.2
169.01495	0.6
229.50745	0.2
299.99274	0.4
300.99561	1.3
302.00339	0.8
315.07184	0.4
351.46945	0.2
434.04272	1.1
434.28903	0.4
435.09286	1.0
435.29654	1.4
446.82153	0.2
450.50031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2595
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
50.05128	0.4
59.01378	5.2
61.98830	2.1
73.73756	0.4
77.77374	0.4
96.96063	0.5
98.20584	0.8
114.95702	0.4
117.03474	14.4
119.05040	25.4
120.05367	0.8
121.02993	1.8
133.03043	0.5
139.77090	0.4
145.02969	100.0
146.03322	4.1
163.04024	20.4
165.84760	0.4
172.01601	0.6
182.29214	0.4
183.13908	2.7
200.01112	0.5
216.00665	1.0
229.01285	0.7
243.99998	1.0
257.00787	0.4
269.21063	1.7
271.99518	0.5
282.98807	1.1
287.22281	8.1
288.22574	0.6
299.99109	25.6
300.99854	24.4
302.00043	1.9
387.28711	0.5
389.26416	0.9
415.28564	0.6
433.04105	24.2
433.25528	42.7
434.04565	3.0
434.25818	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	433.3324
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
56.22308	0.2
59.01385	1.4
61.98836	1.5
62.26178	0.1
87.30546	0.1
108.29346	0.1
125.09736	0.2
132.21716	0.1
137.02437	0.2
138.87790	0.1
147.35249	0.1
150.55034	0.1
200.01315	0.2
228.00572	0.3
244.00226	0.2
271.99625	0.2
299.99121	6.6
300.99866	5.5
302.00320	0.5
306.52133	0.1
337.21790	0.2
371.29791	0.2
373.31049	0.2
389.30862	0.3
394.21405	0.1
433.04150	5.5
433.33286	100.0
434.04230	0.7
434.33640	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	434.094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01384	11.1
61.98830	100.0
69.03462	1.0
71.01386	9.5
71.26554	2.0
72.99313	1.6
73.02945	1.5
75.00874	8.2
83.01408	1.1
85.02966	10.0
87.00890	3.9
89.02455	2.7
93.03484	2.8
95.01382	2.4
99.00896	5.3
101.02464	1.0
103.00355	1.1
108.02175	3.0
109.02966	2.8
110.00445	0.9
112.86919	0.9
113.02448	11.3
115.00389	1.5
117.01962	1.7
121.02969	52.0
122.03298	1.6
125.02463	3.5
135.04547	1.4
137.02501	5.2
151.00391	1.3
152.01143	3.1
153.01936	2.7
166.80215	0.9
169.01485	4.9
175.02562	1.6
231.04980	2.6
249.06131	31.5
271.99680	1.3
273.00311	1.4
273.07611	1.2
299.99118	7.1
300.99588	24.5
302.00214	14.7
303.00455	1.2
313.05573	4.0
340.19327	0.9
353.08533	1.1
371.09833	79.8
372.10181	7.9
431.22174	1.1
434.04446	21.3
435.04285	1.5
435.09460	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	433.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48893	0.3
57.03439	0.8
58.00587	0.3
59.01380	100.0
60.01720	1.1
61.98832	4.6
69.03467	0.6
71.01382	7.2
71.69028	0.5
72.99348	0.5
73.02956	2.1
74.02454	0.4
75.00887	0.7
83.01421	0.9
84.87278	0.3
85.02955	2.0
87.00890	0.9
89.02454	3.5
92.98570	0.3
93.03484	0.6
95.01418	1.2
95.13774	0.3
97.02977	1.1
97.06602	0.6
99.00924	1.0
99.04591	0.4
101.02463	3.6
101.06109	0.5
107.01414	0.5
111.00916	0.6
113.02460	3.2
115.07706	0.4
119.03521	1.1
120.99664	2.6
121.03009	0.7
122.02520	0.7
123.00916	1.0
123.04563	0.6
124.01659	0.4
125.02431	2.1
125.05995	0.4
136.04025	0.4
137.02448	1.0
138.02013	2.4
138.05605	2.9
139.00409	0.7
139.02367	1.1
139.04080	0.5
139.05991	1.2
139.07712	1.2
141.01988	1.3
143.03526	0.6
149.02409	0.6
149.06102	3.7
149.09753	0.5
151.04091	0.5
153.05653	0.4
159.03085	0.5
161.04562	5.6
166.99875	0.6
167.03462	0.5
167.10741	0.8
168.00690	0.8
169.01489	1.6
176.50742	0.3
179.05653	1.5
179.10797	0.5
181.05095	3.1
183.03079	1.3
183.04799	0.7
196.07428	3.4
197.08041	0.3
211.06332	0.4
211.09766	6.2
212.10115	0.5
227.12877	0.7
229.65829	0.3
233.06636	1.0
238.01350	1.0
241.14600	1.8
245.00706	0.5
271.15582	1.1
279.10892	0.3
299.99115	4.9
300.99850	5.0
371.09909	0.7
373.14612	1.9
373.18887	1.5
389.17993	3.4
390.18723	0.4
397.17215	0.9
433.04022	3.0
433.13000	5.1
433.21649	0.8
434.12305	0.4
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
51.99945	0.3
55.01879	0.4
59.01378	100.0
60.01703	0.9
61.98836	0.6
68.98594	0.3
69.45490	0.3
69.45713	0.5
69.46120	2.1
71.01389	5.3
72.99325	0.3
73.02965	1.0
83.01398	0.7
85.02951	2.1
85.85246	0.3
89.02468	1.2
99.00908	0.9
101.02452	3.7
113.02446	1.8
119.03548	0.7
128.57722	0.3
143.03612	0.4
161.04575	3.6
173.46275	0.3
299.99036	1.7
300.99939	1.3
373.22308	9.8
374.22592	0.7
432.98770	0.4
433.03705	1.5
433.24643	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52833	0.3
54.30322	0.3
59.01379	100.0
60.01719	0.9
61.98835	1.1
68.70249	0.3
69.69483	2.7
71.01386	3.9
72.99301	0.5
73.02966	0.8
75.00897	0.8
83.01417	0.4
85.02969	1.4
87.00894	0.6
87.45219	0.4
89.02467	1.3
95.01404	0.5
97.40038	0.3
97.56528	0.3
97.57111	0.3
98.20506	0.7
99.00901	0.5
101.02448	1.5
106.90422	0.3
113.02481	2.2
113.03208	0.4
119.03549	0.5
120.99695	0.9
123.00951	0.5
125.02493	0.7
126.02807	0.4
138.02008	0.7
139.02399	0.5
139.07751	0.6
147.07234	0.3
149.99609	0.7
151.03993	0.6
153.05659	0.5
159.03038	0.4
161.04582	3.8
167.10805	0.5
169.01489	0.9
170.01807	0.4
181.05112	3.1
182.83900	0.3
183.03023	0.6
196.07397	3.5
197.08324	0.3
211.09789	7.5
212.10255	0.5
233.06671	0.4
238.01190	2.2
238.51381	0.5
260.23044	0.3
283.99591	0.5
299.99011	2.8
300.01898	0.3
300.99857	5.7
302.00293	0.8
340.24680	0.3
371.10123	0.4
373.15155	1.5
387.63123	0.4
433.04111	1.3
433.12570	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	433.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23700	0.4
55.01880	0.6
56.60769	0.5
57.03451	1.0
58.00612	0.5
59.01379	25.2
61.98830	6.7
65.00298	0.8
67.01892	1.6
68.99819	0.7
69.03439	0.6
69.42043	4.9
71.01387	15.3
72.99314	1.6
73.02946	3.1
75.00895	0.7
81.03474	1.1
83.01394	1.9
85.02966	4.1
87.00894	1.6
88.98820	2.6
89.02459	10.0
89.48040	0.4
91.01904	5.5
93.03480	0.7
95.01383	3.1
97.02951	1.0
99.00875	1.5
101.02448	10.0
107.01407	2.6
108.02186	4.9
109.02970	1.7
111.00886	2.5
112.69039	0.4
113.02470	4.3
114.02710	0.4
116.92870	2.2
119.03522	2.5
120.99666	0.8
121.05099	3.9
123.00900	4.9
123.04539	32.3
124.01682	1.9
124.04883	1.7
125.02458	4.7
126.02815	0.6
127.00339	1.1
131.03508	0.5
133.03059	0.5
135.04503	0.5
137.02451	1.3
139.00418	1.7
139.04007	1.4
139.07660	1.1
140.01172	1.0
141.01947	0.5
143.03470	0.8
151.00380	5.1
151.04034	1.3
152.01175	7.4
153.02019	3.2
161.02405	0.6
161.04605	3.9
165.02078	0.5
165.05533	0.6
166.02721	2.3
166.05087	2.5
167.03516	99.7
168.00703	1.4
168.03842	3.5
169.01454	4.1
169.91582	0.5
173.04597	0.6
175.04013	0.8
177.01958	0.5
179.03517	0.7
179.05653	1.5
181.05064	1.7
182.02080	0.6
183.03027	2.4
190.02841	0.5
193.05075	0.8
194.02209	1.6
195.03021	1.3
205.01468	0.7
209.02657	0.7
209.04572	11.2
210.04941	0.6
211.02538	0.5
211.09814	0.7
218.02182	0.5
225.03986	0.7
227.07169	0.6
233.06717	0.5
239.05695	1.2
251.05527	1.6
267.10895	0.6
269.06650	3.1
299.98990	2.7
300.99976	2.7
311.07794	3.1
368.98102	0.4
373.15048	1.3
382.31006	0.4
418.11203	1.1
433.03873	2.6
433.13449	100.0
434.13785	10.2
434.45831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.5
57.03439	0.6
58.00593	0.5
59.01379	15.2
61.98830	0.9
67.01877	0.5
69.03455	0.8
71.01385	11.9
71.29033	0.7
71.91290	0.3
72.99303	1.0
73.02962	3.6
74.78929	0.3
76.47005	0.3
79.01914	0.8
83.01388	1.3
85.02959	6.1
85.22885	0.4
87.00888	1.0
87.04522	0.6
87.53264	0.4
89.02433	2.3
95.01390	2.6
97.02946	1.0
99.00888	1.4
101.02456	7.9
107.01410	4.1
109.02968	0.7
111.00878	2.3
113.02464	4.7
116.92915	0.5
119.03510	0.8
119.07173	0.6
123.00899	14.6
124.01739	1.7
125.02460	17.5
126.02773	0.4
127.00349	0.6
129.01967	0.3
136.98840	0.8
137.02454	0.5
137.09735	0.4
139.00388	3.9
140.01201	3.6
141.01945	3.0
151.00392	11.3
153.01932	1.1
155.00005	0.4
159.03003	1.0
161.04579	9.5
166.05103	1.4
167.03525	0.6
168.00670	3.9
169.01440	23.9
170.01787	0.7
181.08710	8.8
187.89177	0.4
211.02487	2.5
217.30714	0.4
251.60519	0.3
253.03615	0.4
271.04596	3.0
313.05624	2.2
343.14160	0.4
373.10300	0.7
373.15045	12.4
374.15436	1.1
433.13498	100.0
434.08005	0.7
434.13800	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	433.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61160	0.3
59.01276	4.0
59.01599	0.8
61.98738	0.8
65.00255	0.6
65.69855	0.3
66.48312	0.3
67.69727	0.4
69.37682	1.7
69.38103	2.3
71.01273	3.6
71.01701	0.6
72.99213	0.4
73.02839	0.5
83.01318	0.8
85.02834	1.4
89.02340	1.4
93.03394	0.7
95.01309	0.5
95.02244	0.4
101.02331	2.5
107.01283	1.6
107.04919	1.2
108.02051	1.6
109.02856	1.0
113.02311	1.2
119.03389	1.0
121.02839	1.4
135.00778	0.6
137.02310	1.6
139.03934	0.4
148.01695	1.7
151.00392	6.7
152.00729	0.5
161.02377	0.4
161.04460	1.5
163.00430	2.0
164.01006	0.6
169.01187	0.3
178.99924	2.7
183.04402	0.5
183.10175	1.5
192.00613	0.4
211.03879	1.0
216.00607	0.6
226.02657	1.5
227.03499	2.9
227.06958	0.7
227.12836	0.4
229.01447	0.4
229.04915	0.7
243.02989	10.2
244.03291	1.1
245.04387	1.2
253.04933	0.5
254.02220	2.5
255.02982	23.2
256.03366	2.1
271.02463	53.7
271.19086	0.6
272.02869	5.9
273.03815	1.0
281.06580	1.7
283.02454	0.9
299.01959	1.1
299.99222	15.3
300.02695	100.0
300.99832	11.3
301.03412	26.7
302.00629	0.7
302.03897	1.7
372.63120	0.5
389.12561	1.2
433.08051	57.7
433.24030	2.2
434.03955	0.5
434.08331	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	433.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41189	0.5
57.03455	0.8
57.55265	0.5
58.13424	0.5
59.01380	40.0
61.98813	1.4
62.10738	0.5
63.02386	0.7
65.00334	0.8
69.51823	2.0
69.52248	2.9
71.01391	1.7
79.73540	0.5
83.01375	1.0
85.02979	0.7
93.03452	0.7
99.04515	1.0
101.02457	0.9
107.01405	2.4
108.02213	1.5
109.02967	2.4
110.20025	0.5
115.38634	0.5
119.01359	0.5
121.02977	2.0
124.01611	0.5
125.02400	1.0
135.00908	1.0
143.03549	0.7
148.01691	1.6
151.00386	10.2
151.40756	0.6
161.04543	0.8
163.00359	3.0
163.06140	2.4
164.01128	1.0
165.01997	2.8
169.01472	0.8
177.01886	0.6
178.99878	6.3
183.04593	0.9
187.04056	0.7
190.99875	0.9
199.04025	1.0
201.05536	0.8
207.13899	1.9
208.14322	0.5
209.11801	3.1
211.03957	0.8
215.03497	0.9
216.04335	0.7
225.14981	1.6
226.02672	2.5
227.03506	3.6
227.12903	15.6
229.05025	0.6
243.02980	12.5
243.99925	0.8
244.03421	1.3
245.04535	1.1
251.12781	0.6
254.02193	2.4
255.02963	24.4
256.03366	1.8
269.13919	3.1
271.02475	62.9
271.05746	2.3
271.99997	0.8
272.02838	5.2
273.03995	1.4
283.02338	1.3
287.15002	13.3
288.15271	0.8
299.02017	1.4
299.99173	22.0
300.02756	100.0
300.99863	14.0
301.03497	59.9
301.07312	0.6
302.00336	1.4
302.03854	4.7
303.16348	1.0
415.19516	2.5
433.08185	63.8
433.20679	32.4
434.08517	8.9
434.21072	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	432.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84232	0.3
55.61911	0.2
56.22979	0.3
57.03442	0.4
59.01077	0.6
59.01379	13.3
61.98832	100.0
70.03091	0.3
71.01388	7.4
72.99313	0.6
73.02952	2.6
76.02628	0.3
78.95917	0.4
83.01415	0.4
85.02950	1.5
85.58836	0.3
87.00897	0.3
87.13289	0.3
89.02452	10.0
95.01392	0.3
99.00890	2.8
99.01443	0.4
101.02458	5.1
113.02475	2.0
119.03537	1.3
125.02469	0.8
131.03506	1.6
137.09708	0.5
149.04572	5.4
155.10820	2.3
161.04634	0.8
174.17995	0.3
179.05655	0.6
191.05576	1.3
198.83124	0.3
199.09872	0.5
199.84425	0.3
205.25497	0.3
216.00697	0.3
228.65547	0.3
241.55965	0.3
244.00169	0.6
271.99710	0.3
283.99356	0.4
299.99100	10.7
300.02396	0.6
300.99902	7.4
301.16635	0.6
314.03015	0.3
328.04675	0.3
356.04092	0.4
356.08746	1.0
374.36349	0.3
376.18790	0.3
388.11472	0.7
400.06964	1.2
432.09613	4.7
432.15363	0.4
433.04089	7.6
433.20078	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87794	0.3
59.01378	2.9
65.00314	0.3
69.68219	2.5
71.01374	1.6
82.02643	0.3
85.27298	0.3
89.02434	1.2
101.02432	1.2
111.51190	0.4
113.02428	0.6
119.03475	0.5
119.05032	1.1
121.12952	0.3
125.02451	0.4
132.02246	0.5
148.01649	0.4
160.01598	0.6
172.01651	1.5
176.01163	0.5
185.02455	1.0
188.01111	0.8
193.01497	0.4
200.01193	1.9
201.01839	0.9
216.00674	2.8
226.99817	0.7
228.00667	1.9
229.01468	1.7
242.99315	1.2
244.00130	3.9
245.00749	0.5
254.12259	0.4
257.00876	1.1
270.98795	0.9
271.99597	2.3
282.98740	1.5
283.99542	1.1
298.98349	1.2
299.99103	100.0
300.99838	58.8
302.00214	3.8
313.07184	2.6
343.08292	0.4
387.20218	1.5
433.04105	79.1
434.04498	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	433.0412
Annotation	Ellagic acid-4-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
69.54074	3.8
73.81264	0.4
89.35522	0.4
110.07396	0.5
132.02196	0.6
142.87105	0.4
144.02214	0.5
148.01703	0.5
148.11711	0.4
160.01671	0.8
171.86412	0.4
172.01671	3.2
173.02342	0.5
185.02434	1.8
187.47389	0.4
188.01248	0.6
199.00458	0.4
200.01125	3.0
201.01979	1.1
216.00600	4.3
226.99800	1.2
228.00615	3.3
229.01404	3.0
242.99324	1.5
244.00113	5.0
245.00775	1.3
257.00894	1.7
270.98779	1.1
271.99615	3.4
273.00229	0.4
282.98865	3.0
283.99542	2.5
298.98358	1.6
299.99106	100.0
300.99860	75.8
302.00250	4.6
433.04111	80.3
434.04468	9.7
447.91751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.03470	0.3
59.01381	17.5
60.01707	1.3
61.01816	0.3
61.98833	100.0
71.01383	1.9
71.72169	0.3
73.02959	0.8
75.72897	0.2
85.02979	1.2
89.02470	1.0
99.00908	0.3
101.02474	1.3
102.02850	0.3
113.02493	0.8
125.02477	0.8
127.07627	0.5
133.12451	0.2
137.02446	0.2
153.01958	0.3
154.02408	0.3
161.04616	1.0
162.04930	0.4
169.12398	0.2
171.06705	0.3
177.01955	1.7
185.02438	0.3
187.13535	0.3
202.99988	0.3
244.00079	0.3
270.14212	0.6
299.99136	9.5
300.99887	6.7
304.04831	0.2
371.20764	0.3
372.21170	1.9
415.27359	0.4
432.18851	0.5
433.04059	8.3
433.28195	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	432.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
56.35319	0.2
57.03443	0.5
59.01379	46.2
60.01713	4.2
61.01805	0.5
61.98832	100.0
66.45813	0.2
69.34819	2.5
69.35223	0.6
71.01386	5.3
71.05049	0.3
72.01725	0.6
73.02951	1.4
77.84013	0.2
78.95931	0.4
83.01419	0.5
84.02190	0.3
85.02956	1.9
86.03277	0.5
87.00896	0.4
89.02456	2.5
90.02783	0.3
95.01378	0.5
99.00893	0.6
101.02463	3.5
102.02797	0.7
109.02965	0.3
113.02455	2.1
114.02792	0.5
119.03503	1.1
119.04999	0.8
122.03725	0.8
125.02476	0.3
143.03484	0.5
145.02959	0.3
150.03174	0.2
151.00360	0.7
156.26289	0.3
161.04573	2.3
162.04903	1.3
177.01915	0.9
179.05618	0.5
180.05942	0.3
189.34521	0.3
192.91003	0.3
197.11789	0.4
200.00961	0.3
210.15782	0.3
211.03941	0.9
216.00633	0.5
217.05037	0.2
244.00020	0.4
245.00865	0.3
259.99509	0.4
269.04309	0.3
270.14252	0.3
270.17715	0.3
271.06125	1.9
271.99484	0.6
287.14954	0.6
299.99100	14.1
300.02353	0.5
300.99902	9.5
301.03174	0.3
357.96857	0.2
372.21075	2.5
389.08530	0.4
415.26968	0.4
432.23325	1.5
433.04077	11.9
433.28650	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	431.3167
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
53.40141	0.3
59.01381	4.0
61.98833	2.6
63.44107	0.2
64.79102	0.2
65.31095	0.2
70.66096	0.7
70.66447	0.4
71.01385	0.5
73.10262	0.2
85.34461	0.2
88.98809	0.4
98.20549	0.2
112.26978	0.2
127.07668	0.3
139.60361	0.2
145.02977	0.5
149.64522	0.2
161.50381	0.3
179.94769	0.2
294.72076	0.2
346.81311	0.3
351.26907	0.3
369.28186	0.4
387.28931	1.5
387.33365	0.3
399.29105	2.5
413.30850	1.3
431.31821	100.0
432.32162	10.9
454.69266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.8
60.01707	0.2
61.98833	100.0
62.76418	0.2
64.66265	0.2
69.50330	0.6
69.50747	1.4
71.01389	2.9
73.02943	1.1
85.02966	0.7
87.00937	0.3
89.02458	4.2
99.00906	0.9
99.01514	0.2
101.02448	2.2
113.02457	0.9
119.03530	0.7
125.02473	0.4
131.03534	0.7
137.09727	0.4
143.24123	0.2
149.04579	2.3
151.75018	0.2
155.10806	2.4
156.19411	0.2
157.21362	0.2
161.04570	0.3
163.50102	0.2
164.26578	0.2
165.39264	0.2
172.01547	0.2
183.61018	0.2
191.05646	0.6
199.09871	0.5
244.00325	0.2
274.01175	0.4
275.01611	0.7
283.01999	0.2
283.99872	0.3
299.99124	7.7
300.01999	0.3
300.99884	5.3
301.03223	0.4
301.16321	0.3
313.02856	0.2
334.20306	0.2
356.04471	0.4
356.08438	2.0
357.08820	0.2
388.11194	1.8
393.69891	0.2
400.06940	1.3
403.88971	0.2
432.09967	4.5
433.04147	7.1
433.09079	0.3
433.20444	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	432.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
61.01815	0.1
61.98833	100.0
62.99257	0.2
69.77931	1.0
71.01395	0.4
73.02932	0.2
78.95922	0.2
85.02960	0.3
87.44331	0.2
89.02453	0.4
101.02518	0.2
113.02520	0.2
117.97358	0.1
119.03593	0.2
138.03850	0.1
141.08888	0.1
145.03003	0.2
152.04347	0.1
160.61221	0.1
161.04630	0.2
164.01814	0.2
182.02925	0.2
189.01981	0.2
192.04071	0.2
217.01434	0.2
218.01967	0.2
219.02634	0.2
229.01518	0.2
243.02686	0.2
245.01016	0.5
246.01300	1.0
247.02228	0.2
247.99397	0.2
248.02425	0.2
259.22476	0.1
271.99448	0.3
274.01080	0.2
299.99146	3.5
300.06088	0.2
300.99890	2.7
301.03247	0.2
326.07693	0.2
344.08560	0.9
352.33801	0.2
370.06711	0.2
388.07648	1.1
404.71347	0.2
432.06845	0.4
433.04047	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88316	0.3
53.43378	0.3
55.27461	0.3
56.78569	0.3
59.01379	0.9
59.03313	0.3
61.98809	0.5
71.16435	0.9
78.95905	19.3
96.96976	2.4
98.77791	0.4
119.34689	0.3
126.41286	0.3
150.98038	0.6
152.99599	36.2
153.99927	1.0
155.65295	0.3
171.00642	1.8
263.20206	0.5
289.21747	0.5
341.24847	4.5
351.26999	0.4
355.26318	0.5
357.28055	2.9
358.28445	0.5
369.28189	1.0
371.29504	17.0
372.29938	2.5
387.32690	0.6
391.11475	0.3
397.27515	1.4
415.28412	4.4
416.28705	0.6
431.22015	3.6
431.31659	100.0
432.22784	0.7
432.31992	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	431.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07545	0.1
54.58318	0.1
59.01380	1.6
61.98833	0.7
66.71410	0.1
69.90060	0.4
69.90472	0.6
71.01379	0.2
71.05024	8.9
71.60420	0.2
78.95908	0.3
85.06593	0.2
87.04521	0.4
88.98809	0.3
95.05000	0.2
99.04527	1.5
105.96642	0.2
112.80807	0.2
117.03484	0.7
119.05038	1.3
145.02972	4.6
152.99561	0.3
162.39740	0.2
163.03996	0.9
285.20508	0.2
291.23300	2.3
292.23599	0.3
313.21948	0.2
331.26370	0.3
339.23309	0.4
341.24835	2.1
342.25345	0.3
343.26471	0.4
355.26434	1.4
356.26569	0.2
357.27988	3.6
358.28363	0.4
359.29529	13.1
360.29831	1.6
369.28073	0.4
371.25705	0.2
371.29517	1.2
372.29749	0.2
373.27426	0.8
387.28735	0.9
387.33270	0.4
391.28470	1.0
403.28549	2.0
404.28793	0.3
415.28656	0.3
431.31708	100.0
432.32065	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	431.3167
Annotation	3beta,5beta-Ketotriol
Peak:m/z	Relative Intensity
52.53696	0.1
59.01384	0.4
59.41818	0.1
69.58999	0.1
69.59339	0.8
90.50356	0.1
96.80540	0.1
98.20551	0.2
104.97147	0.1
128.81685	0.1
246.80344	0.1
329.28455	0.1
369.28067	0.1
371.29587	0.4
431.31680	100.0
432.32013	11.0
432.38120	0.2
449.32443	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	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74155	0.3
53.76456	0.3
57.03449	0.8
59.01378	100.0
60.01709	0.8
60.23567	0.3
61.98828	7.8
69.48954	3.3
71.01384	10.1
73.02956	3.4
75.66132	0.4
83.01408	1.6
85.02959	4.7
87.00872	0.6
89.02457	2.4
95.01390	0.6
99.00902	1.5
101.02458	7.8
109.03016	0.4
113.02456	4.6
119.03542	1.1
123.63454	0.4
125.02464	0.8
143.03540	0.4
153.01979	0.7
159.03008	1.1
161.04573	9.0
161.05850	0.6
197.70045	0.3
209.00951	0.5
209.15533	0.9
232.31085	0.4
246.98877	0.7
269.14139	0.8
371.20752	21.0
372.21198	2.1
417.55905	0.4
431.06189	0.7
431.22906	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	431.2802
Annotation	Plakortolide M
Peak:m/z	Relative Intensity
58.27907	0.5
59.01379	7.6
61.98836	4.6
69.47890	1.8
69.48314	3.4
71.01379	0.9
71.05024	0.7
78.95908	6.5
85.06573	0.7
85.15231	0.5
88.98813	0.9
89.77947	0.6
103.77538	0.5
110.84306	0.7
124.95219	0.6
125.09713	0.5
152.99591	13.3
183.52623	0.5
255.63274	0.7
263.20108	2.6
275.20273	0.6
327.26831	1.5
369.27936	1.7
371.25574	2.9
385.27307	1.4
387.28857	12.7
387.32672	1.4
388.29385	2.4
413.26559	4.7
414.27325	1.1
431.27145	100.0
431.32367	22.2
432.27548	15.3
432.32669	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	431.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.98824	1.1
69.47141	0.2
70.44749	0.2
71.05753	0.5
78.95903	0.4
85.06590	0.5
88.98807	0.2
89.02444	0.2
93.62656	0.2
94.94855	0.2
152.99622	0.8
153.12857	0.2
263.20114	0.5
341.25024	0.2
345.24152	0.4
367.30319	0.3
368.30026	0.2
369.28238	0.3
371.29547	0.6
387.28644	0.4
431.31711	100.0
432.32086	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	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
57.03440	0.6
58.00595	0.4
59.01379	100.0
60.01728	1.1
61.98833	4.1
71.01382	6.5
71.01749	0.4
72.99336	0.4
73.02950	2.2
83.01413	1.1
85.02958	2.4
87.00887	0.9
87.25348	0.2
88.98821	0.3
89.02454	4.2
95.01389	0.5
97.02979	0.4
98.20580	0.4
99.00912	1.1
99.01719	0.2
99.04575	0.3
101.02456	7.0
111.00997	0.3
111.34484	0.2
113.02457	3.1
119.01482	0.2
119.03516	3.9
119.04292	0.3
121.03059	0.2
122.99530	0.2
125.02502	0.5
131.03561	0.3
134.75313	0.2
137.02428	0.3
143.03517	0.5
153.01993	0.5
159.03055	0.5
161.04575	4.3
161.05840	0.3
165.12869	1.5
167.03580	0.3
167.06128	0.2
179.05638	0.7
181.01514	0.9
181.12437	0.5
183.13957	0.2
189.12851	0.3
190.02899	0.4
191.14496	1.0
193.01450	0.4
201.81039	0.2
205.08725	0.7
207.13989	0.4
209.11821	1.0
209.15468	0.4
218.02141	0.3
221.01045	0.6
230.58496	0.2
231.13995	0.5
233.15572	0.3
242.02174	0.3
246.98892	0.8
249.15178	0.3
251.28227	0.3
253.05161	0.3
257.15625	0.7
258.01755	0.4
267.03244	0.3
269.13940	2.4
269.16983	0.3
273.00372	0.3
274.01181	2.8
275.16617	1.2
279.02753	0.3
293.17807	0.6
296.16864	0.3
299.02124	0.6
300.02884	0.4
309.07849	0.4
311.09427	0.6
312.02661	0.4
327.18118	2.3
337.07419	0.5
342.12653	0.3
353.19824	0.5
355.08212	5.3
356.08746	0.7
371.20807	4.9
372.21231	0.4
387.10901	4.4
388.11523	0.3
399.07169	1.7
431.10028	6.6
431.23267	5.7
431.28503	0.3
432.10309	1.3
432.23416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
61.98825	0.6
62.96412	0.2
69.59641	0.5
69.60069	1.0
70.37988	0.2
78.95913	53.4
96.96976	6.3
98.19917	0.3
99.00879	0.2
150.98065	1.5
152.99606	100.0
153.99922	1.4
171.00667	4.0
263.20279	0.2
277.21729	0.6
369.27893	0.2
371.29163	0.4
431.22156	8.3
431.31479	5.0
432.22632	0.7
432.32355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.3
61.98827	2.1
78.95911	70.2
87.06654	0.5
96.96976	6.0
98.02365	0.5
98.19873	1.0
99.00893	1.3
150.98022	1.5
152.99611	100.0
153.99957	1.4
171.00713	2.6
246.05455	0.5
277.21701	0.7
327.30536	0.5
357.28091	0.6
385.31351	0.5
431.22467	14.5
431.31790	30.8
432.22589	1.1
432.32205	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	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48867	0.3
59.01380	100.0
60.01712	1.6
61.98832	39.3
69.43014	1.8
69.43438	1.6
71.01386	8.6
72.56577	0.3
72.99324	1.2
73.02952	1.9
75.00883	0.4
77.30937	0.4
80.32451	0.4
83.01396	1.4
85.02963	3.3
87.00894	0.8
88.98813	0.9
89.02460	6.1
95.01408	0.7
98.20647	0.6
99.00925	0.7
101.02456	8.4
101.03088	0.6
108.02187	2.2
109.02996	1.7
113.02470	3.4
116.75491	0.4
119.03523	4.8
119.25156	0.4
125.02444	1.7
137.02490	0.5
143.03636	0.4
149.04701	0.4
151.04024	0.7
152.01192	1.3
153.01982	3.8
154.02304	0.8
155.02490	1.1
159.02975	0.4
161.04572	4.5
165.01927	0.5
165.12943	1.4
179.05682	1.6
191.14470	1.0
202.99960	0.7
209.11853	0.7
209.15579	0.7
215.44565	0.4
224.73212	0.4
231.14058	0.7
246.98851	2.0
249.14851	0.4
251.16664	0.4
257.15536	0.7
269.14011	1.7
275.16562	0.9
281.53119	0.4
293.17755	0.4
327.18301	1.8
353.19980	0.5
371.20822	6.1
371.24826	0.5
372.21268	0.7
387.27197	0.3
388.53818	0.4
431.10812	2.3
431.22711	6.8
432.15747	0.4
432.23340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95074	1.7
57.21263	1.4
58.00595	3.2
59.01379	87.2
61.98833	6.1
62.70352	1.7
65.00314	1.7
66.70937	1.6
69.03455	4.1
69.47876	9.0
69.48303	7.0
70.03808	1.9
71.01386	69.4
72.99310	6.5
73.02945	13.0
73.78079	1.7
75.00858	2.3
81.03465	2.9
83.01396	5.6
83.05023	4.4
85.02958	11.4
87.00893	6.2
88.98849	2.2
89.02455	100.0
93.02057	1.4
93.03465	18.8
95.01393	2.6
97.02971	2.6
99.00891	14.0
99.04527	5.6
101.02454	40.6
107.01395	5.9
107.05021	2.2
108.02200	3.8
109.03005	3.1
111.00887	3.6
111.05603	1.9
113.02473	23.9
117.05598	5.8
119.03513	18.1
119.05035	5.2
120.99671	1.9
121.02977	29.7
122.03281	2.3
123.00887	14.3
123.04553	10.3
124.01697	6.1
125.02463	69.9
126.02753	3.3
127.00456	3.1
131.03526	16.7
133.10155	1.6
135.04553	6.3
136.98822	4.1
137.02467	45.1
138.02750	2.1
139.00365	6.6
139.04065	2.0
140.01198	3.8
141.01880	2.3
143.03500	6.6
149.02533	2.9
149.04570	29.8
149.99600	8.8
150.03198	2.1
151.00380	12.3
151.04045	4.1
153.01930	2.8
153.05571	3.9
161.02425	2.7
161.04509	10.4
165.01939	3.5
165.05559	4.5
166.99911	1.9
167.03448	5.5
168.00665	25.3
169.01440	93.7
170.01677	2.4
177.09219	2.5
179.03429	1.5
179.04001	2.6
179.05630	36.5
191.03436	1.9
191.05603	8.9
193.76768	1.7
209.11807	3.8
211.02492	57.4
212.02895	3.3
221.06523	1.8
238.01213	6.2
271.04642	53.3
272.04834	3.3
279.10883	6.6
299.99048	3.5
300.99911	13.7
309.11880	2.8
313.05594	9.6
327.08347	2.7
331.06754	6.6
343.08246	6.7
355.13147	3.3
387.09445	2.6
413.10742	2.4
431.03015	3.6
431.11841	81.4
431.16049	39.7
432.12048	7.5
432.16486	4.4
445.54684	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	431.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78345	0.4
59.01382	100.0
60.01729	0.6
61.98836	4.8
69.63145	1.5
69.63552	1.7
71.01390	2.8
85.02998	0.6
89.02477	1.2
93.03477	5.3
95.85539	0.4
101.02477	1.4
113.02502	1.1
119.03555	0.6
125.02462	3.9
126.19046	0.4
127.86458	0.4
136.01718	0.7
137.02467	15.8
138.01944	0.6
145.36311	0.4
149.08250	0.5
151.00362	0.5
151.04091	0.6
161.02443	3.2
161.04605	0.5
168.00677	1.0
169.01439	6.1
176.04842	2.2
178.80440	0.3
179.03506	5.8
183.66676	0.3
191.07205	0.7
194.05856	6.5
209.08218	16.7
210.08618	0.8
211.02582	2.2
271.04608	3.0
282.24765	0.4
331.06863	0.5
351.87061	0.5
356.97327	0.4
431.11224	2.1
431.16348	12.3
432.16086	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	431.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59394	0.8
54.90382	0.8
57.03453	1.8
58.00603	0.9
59.01382	100.0
60.01703	1.1
60.61139	0.7
61.98831	15.0
69.03464	1.1
71.01383	13.8
72.99326	1.4
73.02951	3.6
83.01405	3.0
85.02966	3.9
87.00883	1.6
88.98848	1.5
89.02448	10.9
89.02904	0.8
94.66119	0.8
95.01415	1.2
97.02939	0.7
97.06645	0.9
99.04537	7.5
101.02457	9.7
109.06625	1.4
113.02477	5.5
119.03519	3.8
121.06638	0.9
125.07317	0.7
130.14494	0.8
137.02496	1.0
143.03516	1.2
161.04538	3.6
165.12845	4.7
179.05713	1.8
189.12961	2.3
202.99916	1.5
207.13940	13.5
209.11813	8.0
209.13394	0.7
225.14977	2.2
231.14026	0.8
246.82159	0.7
246.98909	2.7
247.17953	0.7
251.12909	28.5
251.15439	1.5
252.13266	1.2
255.03387	0.6
269.13937	66.2
270.14267	3.6
293.14090	1.2
311.15039	2.6
340.19461	0.8
371.17258	2.3
371.21161	1.6
401.12335	1.0
431.06018	1.6
431.19345	11.1
431.23935	2.9
432.19641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02535	0.7
55.01888	1.0
57.03443	0.6
58.00599	2.0
59.01381	100.0
59.85527	0.6
60.01738	0.7
61.98824	1.1
67.01884	0.9
69.84725	1.3
69.85123	4.2
71.01389	27.5
72.99314	1.6
73.02940	3.5
79.01909	0.8
82.14626	0.6
83.01381	1.6
85.02958	4.6
87.00900	1.3
89.02454	33.3
95.01374	2.0
99.00890	3.2
99.04514	0.8
101.02454	17.3
105.24323	0.6
107.01409	2.4
108.02166	0.8
111.00894	1.5
113.02477	5.8
117.05550	1.7
119.03484	4.5
119.05017	4.6
119.05734	0.9
119.24554	0.7
121.02970	1.1
123.00897	6.6
124.01698	0.9
125.01621	0.9
125.02473	16.4
129.01979	2.1
131.03523	32.1
137.02411	1.3
137.06046	1.4
138.01991	6.3
139.00395	3.4
140.01120	1.6
141.01891	0.8
149.03487	1.2
149.04564	16.0
149.45776	0.7
151.00394	5.8
161.02374	2.9
168.00676	5.2
169.01447	21.6
176.04716	2.2
179.03482	3.2
191.05634	22.5
191.07190	1.2
192.05977	0.8
194.05826	3.3
209.06116	0.7
209.08208	12.0
211.02486	19.0
211.74930	0.7
221.06557	0.7
251.07384	1.6
271.04584	22.3
272.04813	0.9
279.10706	4.0
299.11182	0.9
313.05658	0.9
331.06479	1.5
413.10660	1.6
431.11346	53.4
432.11606	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	431.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51094	0.6
55.01866	0.6
57.03436	0.9
58.00574	1.3
59.01380	59.7
61.98810	2.5
66.59017	0.6
67.01902	0.6
69.03434	0.8
69.59421	5.3
71.01385	22.9
71.05013	1.0
71.61161	0.5
72.99303	1.9
73.02936	2.2
79.01863	0.7
79.50742	0.5
81.03462	0.8
83.01376	1.9
85.02957	4.4
87.00858	1.7
87.04485	0.6
89.01908	1.2
89.02451	23.2
93.03450	0.7
95.01382	2.6
97.02957	0.8
99.00861	2.3
99.04524	3.0
100.27073	0.5
101.02457	15.0
102.02814	0.6
106.12109	0.6
107.01380	3.5
108.02129	1.0
109.02939	0.7
111.00850	2.2
113.02460	6.4
117.05592	7.0
119.03531	6.5
119.04980	2.2
121.02934	1.4
123.00901	7.2
124.01671	2.5
124.04014	0.9
125.02460	26.3
129.01886	0.7
131.03520	12.7
136.98796	1.3
137.02408	1.3
138.01996	4.8
139.00406	3.5
140.01103	2.2
143.03407	1.1
149.04573	8.4
151.00349	4.5
161.04665	0.9
163.06061	1.8
164.03502	0.9
165.01906	0.7
165.05542	0.8
166.05072	1.4
167.03421	1.2
168.00658	11.9
168.02863	0.8
169.01440	39.7
170.01738	1.5
179.03465	1.8
179.05516	0.8
183.02863	0.6
191.03952	0.7
191.05620	9.2
194.05742	1.7
209.08218	4.5
211.02492	41.1
212.02768	1.8
220.90419	0.6
234.16382	0.7
241.03464	1.3
251.21683	0.6
271.04572	50.8
272.04938	2.9
279.07938	1.1
279.10828	19.5
280.11304	0.8
313.05750	4.7
331.06665	6.0
369.07285	0.6
387.09134	1.7
413.10678	1.9
431.11697	100.0
432.12000	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	431.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56627	0.5
57.03419	0.7
59.01380	59.1
60.01716	0.6
61.98834	11.2
69.03445	0.6
70.18936	2.0
71.01390	9.4
72.99306	0.8
73.02946	2.7
78.95915	0.6
81.03441	0.9
83.01363	0.8
85.02956	4.8
87.00860	2.0
88.98809	1.2
89.02454	17.7
89.34722	0.5
93.03457	5.9
95.01387	2.8
97.02921	0.7
99.04538	0.8
101.02468	5.0
106.57974	0.5
107.01394	1.2
107.05003	1.2
108.02191	37.5
109.02977	32.1
110.03303	0.8
111.00861	1.0
113.02461	3.7
117.05558	1.6
119.03493	1.4
121.02943	1.9
123.00893	3.0
123.04506	1.3
125.02469	7.2
131.03510	0.8
133.05084	6.7
136.73131	0.5
137.01466	0.9
137.02463	13.5
138.01956	1.9
139.00360	1.0
143.03502	0.7
149.04576	1.0
151.00354	1.5
151.04031	5.4
152.01178	52.5
153.01967	26.5
161.02428	1.8
161.04556	1.3
163.04021	2.0
165.01865	1.4
168.00589	1.9
169.00179	0.8
169.01462	12.1
175.02539	0.7
176.04787	1.3
179.03540	4.2
181.05022	0.9
184.95506	0.6
194.05870	2.8
195.06303	0.5
209.08191	9.2
211.02452	7.6
219.02893	0.6
269.10272	0.6
271.04568	10.1
279.10724	1.7
286.16150	0.6
297.06097	4.8
313.05753	0.7
315.03821	0.8
315.07236	10.8
324.85147	0.6
330.93765	0.6
331.06500	0.9
387.09283	6.5
431.11740	100.0
432.12027	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	431.1197
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
58.00594	0.9
59.01380	25.0
61.98816	1.7
67.01886	0.6
67.03806	0.6
69.79099	4.6
71.01387	14.0
72.99301	1.4
73.02930	2.6
75.00892	0.7
79.01888	0.8
83.01378	1.8
85.02950	2.6
87.00893	1.6
88.98814	0.8
89.02459	12.6
93.03440	1.2
95.01391	2.0
97.02940	1.1
98.20685	1.1
99.00880	1.5
99.04511	2.3
101.01848	1.1
101.02457	11.4
107.01401	3.6
108.02152	0.9
109.02971	1.7
111.00886	1.5
113.02464	4.6
117.05600	6.2
119.03512	5.1
120.99683	0.9
121.02945	0.7
123.00096	0.8
123.00909	11.1
123.04539	1.4
124.01718	1.6
125.02467	31.8
126.02795	0.9
127.00457	0.7
131.03535	1.0
136.98837	1.5
137.02434	3.1
138.02007	4.5
139.00359	3.2
140.01129	2.4
141.01895	1.2
143.03494	0.9
149.04523	1.3
151.00397	8.4
151.04030	0.7
153.01938	1.7
161.04590	1.3
164.03477	1.3
165.01950	3.0
165.05505	1.3
167.03526	1.6
167.99370	0.8
168.00677	8.6
169.01447	46.4
170.01711	1.2
179.03430	1.1
179.05571	0.6
180.04269	2.8
183.03090	0.8
191.05641	0.6
193.01334	0.7
195.02928	1.8
195.06618	3.6
211.02489	19.8
212.02754	1.2
241.03447	0.7
255.05072	1.7
271.04584	27.8
272.04874	1.1
272.57547	0.6
279.07922	0.8
279.10849	11.7
280.11032	0.6
313.05627	5.7
331.06604	2.1
373.07510	1.9
388.99701	0.7
399.12274	1.1
413.11020	3.6
431.11823	100.0
432.12140	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	431.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11085	0.6
50.17670	0.5
54.37271	0.5
57.03443	0.5
58.00582	1.1
59.01085	1.3
59.01377	19.6
61.98820	1.8
67.01875	0.9
68.99821	0.7
69.03458	2.2
69.76771	4.3
71.01385	10.9
72.99306	1.6
73.02940	2.5
81.03465	0.8
81.27756	0.6
83.01383	2.2
83.93951	0.5
85.02957	3.9
87.00879	1.4
88.98798	1.8
89.02455	9.7
93.03473	10.9
95.01388	2.6
97.02953	2.0
99.00898	0.8
99.04514	2.2
101.02451	8.4
107.01398	6.5
107.05051	0.7
108.02190	1.6
109.02978	1.4
110.00086	0.8
111.00893	3.9
113.02463	4.5
117.05577	1.9
119.03497	3.0
120.99669	1.1
121.02997	3.8
123.00906	15.6
123.04537	2.0
124.01674	12.9
125.02464	60.4
126.02778	1.6
127.00369	1.4
131.03532	1.1
135.04491	0.9
136.98830	2.2
137.02466	26.6
139.00383	5.5
139.04047	0.9
140.01170	4.6
141.01950	1.9
143.03529	0.9
149.02420	2.0
149.99606	12.7
150.03235	1.2
151.00392	10.5
151.04004	3.5
152.00894	0.9
153.01959	1.2
161.02454	1.1
161.04510	2.0
165.01959	1.3
165.05563	1.9
167.03485	4.8
168.00656	41.7
169.01443	55.3
170.01738	1.8
179.03513	1.2
179.05612	1.7
181.05005	0.6
183.03006	1.0
191.10754	1.7
195.02945	0.8
201.80489	0.6
209.11841	1.9
211.02481	59.9
212.02824	2.7
221.09541	0.8
228.40303	0.5
237.06749	0.7
241.03493	1.7
255.04849	0.6
265.08698	0.6
271.04572	62.3
272.04944	3.3
279.10959	4.8
285.03873	0.7
287.13855	0.6
292.61023	0.6
297.12296	0.9
300.99701	0.6
313.05594	2.1
327.08603	0.9
331.06595	3.5
343.08148	0.6
355.12936	1.0
399.12125	1.2
431.10947	100.0
431.16208	32.1
432.11206	8.3
432.16577	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	431.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	13.6
69.95999	1.6
74.73718	0.3
86.64678	0.3
88.98817	100.0
89.02454	1.6
89.99143	1.0
98.19858	0.6
125.91016	0.4
149.66501	0.3
173.75401	0.3
341.10876	0.6
356.82349	0.4
404.06577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01378	32.8
59.38613	0.3
60.01681	0.3
61.98830	3.1
69.49373	1.2
69.49806	1.8
71.01369	2.9
73.02947	0.9
75.50314	0.4
78.61090	0.3
83.01400	0.8
85.02959	1.0
88.98825	0.6
89.02435	1.9
89.99290	0.3
91.01898	0.5
93.03474	1.6
95.01402	0.5
99.04536	0.5
101.02453	2.2
107.01398	1.5
109.02976	0.9
113.02460	1.2
125.02415	0.6
132.02173	0.7
134.23589	0.3
135.00920	1.7
137.02492	0.9
143.05031	0.7
145.03009	0.5
147.00974	0.7
151.00414	1.0
153.01970	0.5
154.04210	0.4
157.06586	0.8
159.04533	1.5
161.04578	1.6
163.00436	2.5
165.01907	1.7
165.12877	0.7
167.05025	0.6
169.06613	0.7
171.04578	0.9
175.04185	0.4
179.05573	0.4
183.04507	1.1
185.06111	2.0
187.03995	2.7
189.05586	1.0
195.04608	0.5
197.06058	0.6
199.03938	0.7
202.99825	0.9
207.13943	2.0
209.00877	2.5
209.11934	1.9
211.04016	2.3
212.04681	0.5
213.05573	1.9
214.02676	0.4
223.13504	0.5
227.03499	47.3
228.03845	3.0
229.05045	10.3
230.05295	0.6
239.03400	1.9
240.04164	0.9
241.05031	1.4
246.98778	2.7
251.12920	0.5
255.02968	65.6
256.03549	8.8
257.04529	5.9
267.02960	0.9
269.13931	16.1
270.14273	1.3
284.00815	1.1
284.03244	61.7
285.04016	100.0
286.04346	6.8
311.14944	0.6
327.05133	0.5
353.68579	0.3
371.20810	2.1
371.70584	0.4
431.09827	64.5
432.10150	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	430.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
61.98834	100.0
70.26357	1.1
71.01385	0.9
73.02970	0.3
82.10303	0.2
89.02470	0.9
90.78465	0.2
93.03484	0.4
101.02467	0.4
108.02209	1.5
109.02958	1.3
113.02475	0.4
121.02977	0.4
123.00942	0.4
125.02482	0.6
133.85440	0.2
137.02454	0.5
152.01201	2.2
153.02023	0.8
169.01494	1.0
211.02420	0.3
236.12453	0.3
271.04520	0.5
284.68137	0.3
289.99014	0.2
315.07315	0.3
415.26117	0.3
431.11908	5.1
431.17480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04329	0.4
57.72429	0.5
59.01381	27.3
60.01714	1.8
61.01810	1.3
61.98832	100.0
71.01390	4.7
71.73608	0.8
73.02964	1.4
78.95988	0.4
82.88046	0.4
83.01406	0.5
85.02978	1.9
85.82907	0.4
87.00915	0.9
88.98810	1.2
89.02438	3.5
91.05563	0.5
93.03459	0.7
95.01340	0.6
101.02457	3.4
107.05051	0.8
108.02187	0.6
109.02957	0.5
113.02480	1.8
117.03473	0.5
117.97341	0.7
119.03523	1.4
119.05045	1.4
121.02966	0.7
123.00886	1.3
123.04583	0.4
125.02470	1.7
125.52361	0.4
129.03374	0.6
132.02174	0.7
133.02982	1.3
135.04546	1.2
137.02484	1.0
137.06120	0.5
143.03522	0.6
143.18565	0.5
145.02963	3.8
147.00871	0.8
147.04558	3.6
148.01744	0.9
149.02518	0.7
151.00389	0.6
152.00996	0.5
159.04517	0.6
160.01662	0.7
161.02466	4.2
161.04533	1.1
162.03270	2.6
163.00394	0.7
163.04007	2.7
165.01915	1.0
166.31010	0.5
172.01672	1.2
173.02449	3.6
174.03229	2.1
175.04007	4.4
176.01189	1.0
177.01927	2.2
177.05664	0.6
179.05605	0.7
185.02510	0.5
187.00371	2.1
187.04034	0.5
188.01137	0.8
189.01941	6.1
190.02721	6.0
191.03514	4.7
192.04080	0.6
200.01125	0.6
201.01955	2.0
202.02658	1.1
202.99928	1.5
203.03481	1.6
205.01408	1.3
207.02975	1.0
209.00977	1.4
211.04027	0.5
212.04858	0.6
214.02863	1.1
214.99918	0.6
215.03531	0.5
216.00598	1.0
217.01389	5.8
218.02219	4.3
219.02946	4.0
225.09163	0.8
227.03497	2.1
229.01396	5.3
230.02197	2.0
231.03056	0.6
237.05466	0.5
240.04327	1.3
241.05125	1.2
242.02223	1.8
242.99342	1.6
243.02916	2.3
244.00082	1.4
245.00905	32.9
246.01665	12.8
246.98853	5.7
247.02480	4.5
248.03133	0.9
251.07388	0.7
252.04240	1.1
253.08650	0.6
255.06631	1.2
256.03867	0.7
257.00995	0.7
259.99722	1.2
261.00299	0.8
263.07196	0.6
265.04929	0.8
267.03061	0.7
268.03671	0.5
269.00946	3.9
269.03595	0.7
269.08286	1.3
270.01657	0.6
270.98788	3.9
271.06134	1.7
271.09766	1.8
271.99615	1.7
273.00336	4.1
274.01108	3.9
279.06601	0.6
281.08167	3.6
285.00259	1.2
286.98328	0.6
287.99088	0.7
288.99884	1.9
290.00650	0.8
295.02591	0.8
297.00494	0.8
297.07608	5.8
298.08237	0.7
299.05624	5.5
299.09235	2.7
300.06323	1.1
313.07123	0.9
315.08740	2.0
316.99380	4.0
323.05710	0.6
325.07193	6.6
326.07623	0.9
341.06787	1.3
343.08228	29.7
344.08505	2.6
369.06125	7.4
370.06470	0.8
387.07208	25.8
388.07669	1.9
395.19366	2.0
413.04959	1.2
431.06161	17.2
431.18280	2.3
431.23059	1.5
432.06586	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	430.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
61.98832	100.0
66.43737	0.2
69.68948	0.7
69.69368	0.6
71.01387	1.2
72.99331	0.2
73.02969	0.3
73.27143	0.2
79.75948	0.2
82.65488	0.2
83.01426	0.2
85.02980	0.4
87.00912	0.4
88.98825	0.3
89.02457	1.3
93.03471	2.6
95.01415	0.4
99.00877	0.2
101.02449	0.9
104.92765	0.2
107.01427	0.2
107.39957	0.2
108.02186	0.8
109.02997	0.8
109.61588	0.2
113.02467	0.5
114.72662	0.2
117.05666	0.2
121.02969	0.5
123.00888	0.5
123.04554	1.0
125.02494	1.6
126.02810	0.2
131.03436	0.2
133.05141	0.2
137.02470	8.0
139.00491	0.2
151.00447	0.3
151.04095	0.2
152.01210	1.0
153.01953	0.9
160.03314	0.2
161.02448	0.3
161.04634	0.4
166.05103	0.2
168.00677	0.5
169.01440	1.8
170.01799	0.3
211.02542	0.8
212.02855	0.5
225.05499	0.2
235.15523	0.2
271.04599	1.9
272.04959	1.2
315.07690	0.2
331.06836	0.2
369.06149	1.7
370.16959	0.4
430.11084	0.9
431.11563	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.301
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
50.56110	0.1
57.03431	0.2
58.84287	0.2
59.01366	0.7
60.99297	0.3
61.73212	0.1
61.98817	0.3
73.74211	0.2
83.50282	0.1
85.06597	1.0
97.06602	1.3
98.19813	0.3
105.58216	0.1
174.62309	0.1
180.63158	0.1
197.14320	0.1
204.84262	0.1
217.15947	0.2
218.27185	0.1
222.16315	0.2
287.20172	0.5
311.20190	0.5
313.21725	0.3
337.21948	0.2
339.23306	5.0
340.23657	0.6
341.25070	0.2
349.25354	0.2
351.27161	1.0
353.24881	0.5
353.94406	0.1
355.26398	3.5
356.26700	0.4
367.26163	0.3
367.30115	0.5
369.27988	22.7
370.24213	0.3
370.28378	2.9
385.30991	0.7
395.25861	1.6
396.26547	0.2
411.28998	0.4
413.26965	5.5
414.27161	0.7
429.30103	100.0
430.30457	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	429.3009
Annotation	7alpha-Hydroxy-3-oxo-4-cholestenoate
Peak:m/z	Relative Intensity
50.58353	0.4
51.85755	0.4
59.01380	3.7
61.98829	1.9
69.56419	0.7
69.56817	4.2
71.27068	0.6
93.71178	0.5
105.27071	0.6
116.63310	0.5
123.08182	0.7
221.08243	2.6
222.09009	0.6
235.09802	0.7
273.22128	0.6
385.31186	13.5
386.31540	1.8
429.30206	100.0
430.18039	0.7
430.30511	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	429.3373
Annotation	Stylisterol A
Peak:m/z	Relative Intensity
55.50718	0.1
59.01382	0.6
61.98828	0.3
70.88544	0.2
70.88922	0.2
75.00865	0.1
78.68633	0.1
87.10487	0.1
98.54122	0.1
118.64014	0.1
177.18149	0.1
221.08173	0.4
429.33737	100.0
430.34091	15.4
432.86612	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	429.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01381	15.8
61.98813	1.9
62.58643	0.4
62.68085	0.4
68.93546	0.4
69.37705	4.0
71.01387	0.9
73.02919	0.4
78.32458	0.4
78.95893	0.5
81.03459	0.9
83.05051	0.4
85.06585	0.5
89.02457	0.9
95.05058	0.4
97.06598	0.5
99.06372	0.4
109.60716	0.5
111.04540	0.5
111.19852	0.4
136.92093	0.4
165.41487	0.4
197.02032	0.4
221.08286	0.5
233.80322	0.4
235.09792	0.5
313.21790	1.2
329.24887	1.8
339.23309	0.8
339.52200	0.5
341.24896	1.9
353.24664	0.6
357.28156	1.7
367.30151	0.7
369.28009	2.6
385.31137	6.9
386.31314	1.2
399.29184	0.6
411.29150	1.4
412.28485	0.5
429.30170	100.0
430.30484	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	429.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02433	0.1
59.01382	1.6
61.98846	0.9
61.99097	0.2
62.67331	0.1
71.01366	0.2
71.05016	0.5
77.34231	0.2
78.89589	0.1
88.98809	0.2
112.78560	0.2
113.25558	0.2
127.07672	0.7
159.64041	0.2
163.11331	0.2
165.12839	0.4
168.83893	0.2
211.61174	0.2
221.15468	1.1
297.27991	0.3
328.20908	0.2
339.23291	0.2
355.26541	0.2
357.30139	3.9
358.30380	0.3
383.29568	0.7
385.26968	0.2
385.31339	0.4
399.25278	0.3
429.30139	100.0
430.30460	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	429.301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76982	0.1
57.03442	0.2
59.01395	0.8
61.98825	0.4
63.16077	0.1
63.52926	0.1
71.01384	0.3
71.05032	0.1
72.97235	0.1
82.87838	0.1
85.06589	1.4
97.06577	0.2
98.19839	0.4
113.35098	0.1
159.10309	0.1
187.37669	0.1
221.08174	0.1
233.08336	0.2
271.20718	0.4
287.22177	0.4
303.15979	0.1
311.20120	0.4
329.24802	0.9
341.24814	0.9
353.24487	0.1
355.26410	1.3
356.26819	0.2
357.28067	0.4
367.26419	0.3
369.27841	0.7
380.68332	0.1
385.31128	5.9
386.31638	0.8
397.27518	0.2
399.29071	0.4
411.29028	1.3
412.29263	0.2
429.30106	100.0
430.30457	12.5
444.21994	0.1
447.31000	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
58.00596	0.7
58.30273	0.4
59.01380	100.0
60.01720	0.8
61.98829	0.6
71.01389	14.3
71.73664	0.6
72.99324	0.9
73.02962	2.3
82.86177	0.4
83.01394	2.0
85.02974	2.5
85.03420	0.4
87.00900	1.7
89.02455	20.5
95.01421	1.1
95.24350	0.4
96.00184	0.4
97.02949	0.4
99.04550	1.1
101.02454	8.0
101.03071	0.7
109.02967	2.2
113.02464	7.2
119.03517	6.5
125.02549	0.6
131.03510	0.9
135.00911	1.4
137.09776	1.9
143.03554	1.3
153.01953	6.1
161.04607	2.6
161.09830	0.7
161.13362	2.3
163.11255	0.5
179.05614	5.3
187.11377	1.8
188.82211	0.5
205.12311	5.6
207.10304	1.7
212.33228	0.5
223.13417	8.4
224.13779	0.5
249.11320	6.2
249.88115	0.4
267.12381	11.9
268.12701	1.1
269.01096	0.6
309.13504	0.9
309.17023	0.5
369.15457	0.8
370.10623	0.7
399.80396	0.4
429.04965	0.5
429.11740	0.5
429.17795	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86074	0.5
57.03465	0.6
59.01379	100.0
60.01717	0.8
61.98832	2.1
68.13998	0.5
71.01384	1.1
71.72825	0.7
83.05055	0.7
85.06602	0.7
89.02453	0.7
91.04014	2.5
91.53358	0.5
101.19002	0.5
188.71626	0.5
195.13924	1.0
195.43964	0.5
221.08147	0.9
233.08054	0.7
240.53522	0.5
277.21747	1.6
295.22784	12.9
296.23120	0.9
350.80011	0.5
367.32532	0.6
369.28339	0.6
373.27426	1.6
385.32620	0.5
411.29050	1.3
429.08273	0.7
429.30276	50.4
430.30731	6.4
435.76321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21542	0.2
57.03452	0.2
59.01381	2.1
61.98824	0.7
62.50150	0.2
71.01387	0.9
83.01394	0.2
90.53725	0.2
97.06583	0.2
111.41483	0.2
151.59396	0.2
163.53880	0.2
164.46307	0.2
176.12242	0.2
182.57295	0.2
221.08228	0.4
233.08215	0.2
248.83229	0.2
313.21771	0.3
325.21503	0.2
327.23300	0.3
329.24887	0.8
339.23315	0.4
339.26984	0.4
341.24850	2.5
342.25027	0.2
351.23257	0.3
355.26382	1.0
357.27457	1.4
367.26410	0.7
367.30356	0.2
369.28070	0.7
381.24228	0.4
383.29510	1.3
385.31189	6.4
386.31570	0.6
411.29041	2.5
412.29666	0.3
429.30151	100.0
430.30527	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
57.03457	0.5
58.97319	0.3
59.01380	100.0
60.01715	0.5
60.10783	0.3
61.98816	0.3
65.03957	2.6
67.01904	1.1
69.52276	2.2
69.52681	0.6
71.01390	6.8
72.99303	0.4
73.02949	0.8
83.01394	0.8
85.02966	1.1
87.00866	0.4
89.02452	10.5
89.02980	0.5
91.01896	3.0
95.01390	0.5
98.19920	0.7
101.02460	4.1
102.98625	0.4
109.02966	24.2
110.03291	0.8
113.02459	3.1
119.03512	3.4
131.03519	0.6
135.00906	13.7
136.01228	0.6
137.02498	0.3
143.03517	1.0
149.04565	0.3
149.09474	0.4
153.01955	70.9
154.02298	2.0
155.36292	0.3
161.04573	0.9
161.13339	0.8
179.05603	2.6
205.12364	1.3
207.10239	0.4
223.13393	2.4
249.11296	2.4
255.31297	0.3
267.12274	3.0
268.12698	0.5
275.30206	0.3
297.06198	2.2
303.19522	0.3
369.15475	0.4
429.10190	2.1
429.17395	1.3
429.22015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01723	0.8
61.98850	1.8
69.41235	1.2
69.41657	2.1
71.01389	7.7
72.99337	0.7
73.02968	0.8
79.72119	0.3
83.01414	0.4
85.02972	1.5
89.02457	9.7
89.02986	0.6
95.01373	0.6
98.19892	0.6
101.02458	4.0
106.27056	0.3
108.02245	0.3
113.02470	3.1
119.03518	3.4
131.03534	0.6
135.04565	0.7
141.76230	0.3
143.03574	1.2
155.56749	0.3
161.04599	1.1
179.05623	1.8
205.12415	0.4
223.13464	0.6
249.11548	0.3
267.12405	0.4
429.04047	0.4
429.13766	0.8
429.26224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
57.03457	0.5
58.97319	0.3
59.01380	100.0
60.01715	0.5
60.10783	0.3
61.98816	0.3
65.03957	2.6
67.01904	1.1
69.52276	2.2
69.52681	0.6
71.01390	6.8
72.99303	0.4
73.02949	0.8
83.01394	0.8
85.02966	1.1
87.00866	0.4
89.02452	10.5
89.02980	0.5
91.01896	3.0
95.01390	0.5
98.19920	0.7
101.02460	4.1
102.98625	0.4
109.02966	24.2
110.03291	0.8
113.02459	3.1
119.03512	3.4
131.03519	0.6
135.00906	13.7
136.01228	0.6
137.02498	0.3
143.03517	1.0
149.04565	0.3
149.09474	0.4
153.01955	70.9
154.02298	2.0
155.36292	0.3
161.04573	0.9
161.13339	0.8
179.05603	2.6
205.12364	1.3
207.10239	0.4
223.13393	2.4
249.11296	2.4
255.31297	0.3
267.12274	3.0
268.12698	0.5
275.30206	0.3
297.06198	2.2
303.19522	0.3
369.15475	0.4
429.10190	2.1
429.17395	1.3
429.22015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.2
57.03452	0.3
58.00593	0.7
59.01380	100.0
60.01713	0.9
61.11130	0.2
61.98846	1.4
63.29089	0.2
69.03455	0.2
69.74249	1.7
71.01387	11.3
72.99336	0.6
73.02966	0.7
83.01410	0.7
85.02962	1.8
87.00873	0.8
89.02454	15.3
95.01429	0.7
97.72664	0.2
98.20626	0.4
99.00908	0.5
101.02451	6.0
105.25751	0.2
109.02950	0.5
113.02460	5.0
119.03526	5.6
125.02505	0.4
131.03543	1.0
137.09753	2.0
143.03523	1.4
149.04684	0.7
161.04573	2.1
163.39441	0.2
179.05614	4.0
220.02495	0.2
223.13467	0.9
249.11369	0.4
267.12433	1.8
329.45901	0.2
429.10751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03519	0.3
56.54797	0.3
57.03449	1.0
58.00573	0.4
58.06031	0.3
59.01379	100.0
59.03434	0.4
60.01716	0.6
60.16533	0.3
61.98829	4.7
64.36874	0.3
69.03459	0.5
70.22606	0.6
70.23018	1.4
71.01385	7.8
71.01756	0.5
71.05023	0.5
72.99319	1.0
73.02967	1.4
83.01408	1.1
85.02947	3.0
85.06622	0.7
87.00897	1.2
89.02456	8.3
89.02988	0.6
93.03478	0.7
93.97636	0.4
95.01405	1.0
99.00888	0.5
101.02451	5.1
101.75333	0.4
108.02184	5.2
109.02980	4.5
109.06548	0.4
111.00920	0.7
111.04536	0.4
113.02468	4.1
119.03518	3.2
120.99660	0.7
123.04556	0.5
125.02485	0.7
131.03561	1.2
131.07158	1.5
135.04529	0.9
143.03528	0.6
152.01183	5.6
153.01961	3.4
157.65242	0.4
161.04578	2.7
163.03973	0.5
163.11325	1.0
166.04425	0.3
179.05644	3.3
205.12354	0.5
207.13950	1.4
219.13913	0.8
221.06702	0.6
223.13455	1.0
240.67963	0.4
249.15042	1.1
265.08780	0.6
267.12363	0.9
267.15799	0.4
297.13394	1.0
313.31430	0.4
363.11710	0.4
429.08197	0.9
429.14102	10.1
429.21350	6.9
429.26373	0.9
430.14554	1.1
430.22095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03447	3.4
58.00609	1.0
59.01378	100.0
60.01720	0.5
61.98832	0.7
69.03477	0.9
70.99606	1.0
71.00008	1.0
71.01385	16.7
71.05025	1.0
72.99328	0.9
73.02948	4.6
75.00851	0.5
83.01390	4.3
83.05025	1.3
85.02961	4.6
87.00887	4.3
89.02454	10.5
95.01408	1.4
95.05038	0.8
97.06603	2.3
101.02457	9.9
107.05039	6.0
113.02458	8.1
119.03513	3.9
120.05840	2.0
125.02456	0.9
135.04546	1.4
143.03528	1.4
151.57710	0.5
157.06581	0.6
159.08168	1.3
159.11774	0.8
161.04559	3.5
161.09724	10.1
161.13365	4.8
163.11313	2.1
169.01428	1.0
174.06683	0.6
179.05626	1.4
185.13405	0.6
187.11304	12.1
188.11623	0.8
189.09235	4.4
203.10786	1.4
205.12350	4.4
207.10249	3.2
207.13823	0.7
223.13388	60.3
224.13742	4.1
229.12306	1.2
229.96275	0.5
242.88083	0.6
249.11276	4.5
265.14450	1.4
267.12354	76.7
268.12677	5.3
291.12332	0.6
302.75562	0.5
309.13455	2.0
350.02322	0.6
350.45392	0.5
369.15561	1.5
385.05545	1.2
429.04495	1.1
429.17371	10.8
430.17661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.14
Annotation	Polygalatenoside A
Peak:m/z	Relative Intensity
57.03439	1.0
58.00585	0.6
59.01080	0.8
59.01380	13.7
61.98832	7.0
65.03949	0.6
69.03448	0.6
69.74430	1.8
69.74837	1.1
71.01386	12.0
72.99317	1.1
73.02949	1.9
80.05824	0.5
81.03471	0.5
83.01411	1.2
83.05022	1.3
85.02957	4.5
87.00872	1.3
89.02459	4.6
93.03454	1.1
95.01398	1.5
98.19844	0.5
99.00897	0.5
99.04539	1.3
101.02454	4.3
107.01428	0.6
108.02183	4.3
109.02996	4.1
111.00877	0.5
113.02452	2.4
117.05600	3.3
119.03513	1.4
121.02970	100.0
122.03272	3.3
123.00883	2.3
123.04551	1.0
125.02463	2.8
127.04010	2.8
133.05058	1.0
133.15950	0.5
135.02798	1.7
135.04536	16.6
136.04945	0.7
136.98944	0.6
137.02422	1.2
139.00395	0.6
140.01135	0.5
141.01927	0.4
143.03543	0.5
145.05093	8.8
151.00404	1.6
152.01192	3.9
153.01900	1.7
161.04633	0.7
163.06140	9.6
163.07512	0.7
168.00655	1.3
169.01410	3.3
179.01749	5.0
179.05663	1.0
179.07089	0.6
181.04924	0.4
203.10812	1.4
205.05099	0.6
207.06526	0.4
211.02438	1.2
223.13356	0.7
249.10930	0.5
267.08878	0.9
267.12219	0.7
271.04419	1.2
281.19864	0.4
306.73758	0.5
307.10339	13.9
308.10754	0.6
309.12836	0.5
357.08090	0.8
429.14011	60.9
429.26300	1.2
430.14282	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	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12441	0.9
52.18304	0.7
54.76652	0.8
55.01876	0.9
57.03444	2.7
58.00587	1.5
59.01381	100.0
60.01722	1.2
61.48592	0.8
61.98836	5.7
63.42414	0.8
68.76449	0.7
69.03455	1.3
69.41603	4.5
69.42034	4.3
71.01387	19.8
71.05025	1.9
72.99312	1.3
73.02949	2.8
83.01399	4.7
83.05047	1.9
85.02979	7.1
87.00883	7.6
89.02456	16.9
95.01417	1.5
95.05023	1.2
97.06599	5.0
99.04527	1.0
101.02460	13.2
107.05042	8.8
113.02478	10.3
119.03497	5.4
120.05825	3.7
133.93112	0.8
135.04501	4.4
143.03535	1.6
145.10277	1.2
152.04799	2.0
153.09268	1.1
157.06522	1.3
159.08124	1.1
159.11732	0.9
159.35074	0.8
161.04602	1.9
161.09732	16.6
161.13411	6.5
163.11264	2.9
179.05687	2.9
187.11307	24.2
189.09225	8.1
195.32875	0.8
203.10722	2.1
205.12337	10.2
207.10289	3.6
223.13405	82.5
224.13721	3.8
229.12288	2.7
243.71906	0.8
249.11261	7.4
267.12369	86.3
268.12616	6.0
269.18405	0.8
291.12219	1.1
297.13550	1.2
309.13580	1.9
330.12833	0.8
335.75360	0.9
339.14423	0.9
369.15723	1.5
429.17688	12.8
430.18094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46724	0.6
56.68086	0.7
57.03447	4.7
57.73069	0.6
58.00593	1.5
59.01379	100.0
59.74480	0.6
60.01707	1.2
61.98814	1.0
65.03965	1.8
69.03480	0.8
69.42164	6.5
69.42568	1.5
71.01385	22.8
71.05027	0.8
72.99316	0.8
73.02962	4.5
73.14729	0.7
75.08563	0.8
83.01385	5.4
83.05051	1.8
85.02944	5.0
87.00889	2.6
89.02455	22.2
95.01411	1.8
99.04545	1.9
101.02459	12.6
107.05064	1.1
109.02961	7.6
111.04619	0.9
113.02467	11.9
115.04016	1.2
119.03518	10.7
119.48899	0.7
125.02448	0.9
125.06084	1.0
131.03540	0.8
135.00891	4.8
137.54153	0.7
143.03580	1.0
149.04616	1.0
153.01949	25.8
154.02307	0.9
160.01793	0.8
161.04587	2.0
161.09798	2.1
161.13385	7.1
163.11386	1.3
179.05638	4.1
187.11272	5.2
189.09296	1.2
203.10660	0.8
205.12340	13.6
206.12822	1.2
207.10292	6.5
223.13391	34.7
224.13785	1.5
249.11282	18.6
250.11601	1.1
267.12366	36.9
268.12729	3.2
269.00986	2.6
297.59641	0.8
309.13586	2.1
353.76712	0.8
369.15564	2.3
429.10211	1.2
429.17801	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	429.1041
Annotation	Bispyribac
Peak:m/z	Relative Intensity
51.90430	0.3
55.01869	1.5
57.03442	1.1
58.00586	0.4
59.01381	8.4
61.98829	5.0
67.01900	1.4
69.03439	0.8
69.60365	1.2
69.60793	1.9
71.01388	13.2
71.05027	0.5
71.52734	0.4
72.99302	1.7
73.02955	4.8
75.00872	1.2
78.70292	0.3
79.01888	1.3
80.70692	0.3
81.03458	0.4
83.01393	3.2
85.02956	8.1
87.00874	1.4
88.29700	0.3
89.02448	3.0
93.03457	0.7
95.01399	4.4
97.02972	2.2
98.19970	0.7
99.00895	1.8
101.02460	9.8
106.00587	0.4
107.01417	6.1
108.02192	0.6
109.02960	0.7
110.00100	0.6
111.00902	4.3
113.02461	5.7
115.04034	5.2
119.03553	0.7
119.05024	0.4
121.02966	2.0
123.00906	21.6
123.04483	0.5
124.01784	2.2
125.02467	33.6
126.02776	1.2
127.00372	1.8
129.01949	0.5
135.04504	0.8
136.98831	2.7
137.02448	1.7
139.00401	7.2
139.04007	0.4
140.01183	6.5
141.01959	3.6
143.03529	0.4
145.02940	0.7
150.96173	0.4
151.00392	14.3
151.04015	0.6
152.00734	0.5
153.01979	2.1
154.99791	0.4
159.02982	0.9
161.02451	1.1
161.04568	1.9
162.50978	0.4
163.04034	0.9
165.01930	0.4
165.05455	0.5
167.03452	0.6
167.99341	0.6
168.00662	8.5
169.01448	41.3
170.01743	1.2
177.04102	1.9
179.03474	0.7
181.04999	0.4
181.87073	0.4
203.83240	0.4
211.02478	7.2
228.74313	0.4
233.10295	1.0
241.03577	0.8
253.03462	0.4
267.06876	0.4
271.01688	0.7
271.04578	13.1
272.04828	0.7
277.09314	4.5
286.98273	1.0
287.99078	0.9
297.06131	1.7
313.05707	3.7
329.05032	0.4
331.06604	1.5
339.85510	0.4
385.11414	26.0
386.11832	2.1
411.09378	4.6
412.09299	0.4
429.10263	100.0
430.10535	9.0
430.19489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
57.03435	0.6
59.01379	6.3
60.88352	0.1
61.98825	0.6
67.01880	0.1
68.99806	0.2
69.03455	2.1
69.47334	1.4
71.01384	2.7
72.99300	0.2
73.02927	0.5
79.01891	0.4
81.03461	1.3
83.01382	0.5
85.02957	3.6
86.00105	0.4
87.00881	1.7
87.97691	0.2
89.02445	0.7
93.03465	0.8
95.01395	2.7
96.01709	0.1
96.99323	0.2
97.02965	1.4
99.00890	0.5
101.02453	1.6
107.01398	0.6
107.05036	0.2
108.02186	41.1
109.02969	40.3
110.03310	0.8
111.04462	0.2
113.02474	1.1
119.03515	0.4
121.02974	1.8
123.00911	2.7
123.04536	0.6
125.02457	3.4
131.03493	0.3
133.02982	0.7
134.03697	0.2
135.00923	1.0
135.04538	0.3
136.01680	0.6
137.02470	0.6
139.04094	0.1
143.03502	0.2
145.02980	0.1
149.02458	1.5
151.00404	0.6
151.04005	1.2
152.01170	26.9
153.01950	100.0
154.02290	3.1
163.03999	0.9
165.01971	0.7
166.99959	0.2
167.03497	1.3
177.01947	3.5
178.02386	0.2
179.03577	0.2
179.05605	0.3
191.05733	0.2
195.03001	5.6
196.03413	0.2
207.03061	0.4
207.13947	0.3
211.13373	0.4
214.35583	0.1
223.13469	0.2
225.03975	1.4
230.99384	0.1
235.76860	0.1
237.04036	0.7
245.01019	0.1
267.12500	0.2
269.01004	0.3
285.06259	0.4
295.02475	0.2
297.00818	0.3
297.06577	0.6
298.01297	0.3
299.02084	0.3
299.07999	0.3
311.02078	0.3
312.02792	0.3
315.07382	0.4
323.99228	0.3
325.00024	0.3
325.03610	0.9
326.06537	1.7
327.01556	0.2
327.07272	3.0
353.03043	1.1
353.06589	0.2
357.08029	0.2
369.08368	2.2
370.08890	0.2
385.07755	1.3
386.08264	0.6
397.05609	2.2
397.10059	0.2
398.06311	0.2
411.09372	0.3
429.10437	30.5
430.10773	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	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18989	0.3
54.08514	0.3
56.33756	0.3
56.44360	0.4
59.01381	100.0
60.01720	0.7
61.98844	1.2
69.62896	1.8
69.63326	1.3
71.01395	1.0
80.94432	0.3
84.86427	0.4
89.02460	0.7
91.04020	3.2
97.06638	0.4
98.19868	0.8
98.61555	0.3
110.15643	0.3
111.04573	0.4
183.68825	0.3
195.13953	0.5
275.20120	0.9
293.21234	14.0
294.21799	1.0
305.95715	0.4
311.22256	2.0
339.23486	0.5
427.28967	5.5
428.28986	0.6
442.17651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3066
Annotation	oscr#31
Peak:m/z	Relative Intensity
57.03445	8.4
57.37961	0.8
59.01388	4.8
59.01637	0.8
61.98817	3.5
71.01370	1.0
71.67545	1.8
72.89285	0.9
83.80129	1.0
87.00893	1.5
99.04530	30.5
125.02439	5.9
186.92746	0.9
197.19073	2.6
267.23248	10.8
268.23462	1.1
283.26355	10.2
284.26807	1.5
313.79556	1.0
348.51822	1.2
365.30756	1.1
383.31671	21.4
384.31903	1.7
410.29926	1.0
427.30637	100.0
428.31046	12.6
439.96527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.083
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
52.82196	0.4
55.26460	0.5
59.01381	3.2
69.56138	3.4
72.74953	0.3
73.50037	0.4
89.02452	0.5
95.01432	0.5
98.20622	0.8
195.04474	0.5
212.84349	0.4
214.77635	0.4
216.00769	0.6
225.05487	0.6
226.02605	0.5
227.03510	0.9
230.54932	0.3
230.99390	1.3
232.00114	0.8
239.03482	0.7
240.04230	0.7
244.00069	0.5
245.00818	0.8
253.01376	0.7
253.05128	0.9
254.02307	0.7
255.03029	0.5
255.06700	0.9
257.00894	0.7
257.04977	0.5
265.05164	0.5
267.02924	0.9
267.99988	0.6
268.03690	0.5
269.00864	3.6
269.04022	0.7
269.07913	0.6
270.01651	0.7
270.98831	0.8
271.02350	0.8
271.99652	0.5
273.04227	0.5
281.00995	0.6
281.04553	0.8
281.07956	0.7
282.01913	0.9
283.02490	1.5
283.06064	1.5
283.99603	1.4
285.00330	1.4
285.03775	0.5
295.02444	1.6
296.03137	0.9
297.00443	3.0
297.04114	2.4
297.07333	0.7
298.01163	3.5
299.01953	1.1
299.05341	0.6
299.99289	0.7
303.01550	1.0
309.00601	0.7
309.04086	0.8
310.04684	0.5
311.02039	6.3
311.05472	0.6
312.02731	2.2
313.03586	0.7
323.99167	4.1
324.02682	0.7
324.99841	3.2
325.03568	12.5
325.07071	0.9
326.04062	1.4
327.01459	1.9
327.05209	1.4
338.00763	0.5
339.01453	0.6
340.02448	0.5
341.06738	0.8
353.03018	18.5
353.06638	1.3
354.03369	1.5
369.06262	2.4
370.06689	0.5
397.05676	33.7
398.05948	2.9
404.36865	0.5
411.07190	0.4
429.08282	100.0
430.08612	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	427.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.2
57.03443	2.4
58.00595	1.2
59.01380	68.7
61.98830	0.9
69.89708	4.3
71.01385	32.2
72.99301	1.4
73.02953	18.6
75.00886	1.7
83.01393	8.2
85.02964	18.2
87.00896	1.9
89.02444	9.2
95.01400	2.3
97.02978	1.4
99.00896	5.9
101.02460	35.3
102.02793	1.0
103.24508	0.9
107.29640	0.9
111.00910	2.0
113.02473	13.4
117.05573	1.1
125.02445	2.9
129.01949	1.8
131.03525	25.0
143.03569	2.0
157.48822	1.1
159.03030	2.6
161.04591	11.8
235.11867	76.5
236.12273	4.4
367.16113	100.0
368.16479	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
57.03444	2.3
58.00577	1.3
59.01381	99.5
61.98840	2.1
69.03492	0.8
69.50312	1.5
69.50726	6.6
71.01386	26.3
72.99290	1.2
73.02950	14.4
73.06583	0.9
73.09906	0.7
83.01398	6.2
85.02966	16.8
87.00917	0.8
88.74799	0.8
89.02466	5.7
95.01390	2.2
97.02945	1.0
99.00895	5.2
101.02457	34.1
113.02473	12.8
117.05605	2.8
119.03415	0.9
125.02489	0.9
131.03525	50.1
131.07181	1.7
132.03789	0.9
143.03458	1.1
148.52658	0.8
158.43222	0.8
159.03038	2.9
161.04599	12.8
161.05881	1.6
161.91856	0.8
169.01401	0.9
184.32289	0.7
235.11877	100.0
236.12204	6.2
340.43765	0.8
367.16083	34.9
368.16367	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.6
59.01381	100.0
60.01690	1.3
61.98814	3.4
67.73911	0.8
69.74277	0.7
69.78413	0.8
71.01373	1.3
89.02456	1.0
90.77429	1.0
91.03999	1.9
97.06561	0.9
98.20622	2.0
99.04552	1.3
195.13939	1.0
229.40024	1.3
245.40942	0.9
267.23126	2.0
275.20319	1.1
283.26419	1.0
293.21222	12.4
339.23181	3.3
340.89825	0.9
355.26306	1.8
374.04816	1.0
383.29269	6.7
384.29404	1.2
409.27304	3.4
427.28589	45.4
428.29001	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	425.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01392	1.2
61.98823	1.1
71.01382	1.1
71.57249	0.4
72.99329	0.5
83.05038	0.6
95.00607	0.3
97.06599	0.3
110.71185	0.3
115.00341	0.6
125.02525	0.3
133.01439	0.3
167.14401	0.6
177.12897	0.6
183.13930	10.9
184.14290	0.4
193.12315	1.1
194.12627	0.3
195.13925	24.1
196.14296	1.1
211.13419	32.4
212.13724	1.7
213.14993	9.0
214.15302	0.4
222.78261	0.3
223.13370	0.8
309.20724	3.8
313.25415	0.3
315.27017	3.4
327.26956	0.3
333.27954	0.4
341.24966	0.8
359.25931	3.4
377.27032	3.3
389.26932	0.4
395.28067	1.1
407.27866	1.3
425.29092	100.0
426.29416	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	427.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
57.03442	1.3
58.00602	1.0
59.01380	89.9
59.63775	0.6
60.01724	0.9
61.98843	1.2
66.40456	0.6
70.99583	1.3
70.99911	0.9
71.01389	23.6
71.50548	0.7
72.99303	1.3
73.01807	0.6
73.02952	13.7
75.00886	1.1
83.01394	4.4
85.02956	14.4
85.03439	0.9
87.00884	1.6
89.02453	4.7
95.01411	1.4
99.00900	5.1
101.02457	31.9
110.48615	0.6
113.02473	12.4
117.05600	1.9
119.03528	1.3
125.02444	1.1
131.03522	51.3
131.07167	1.3
132.03868	1.2
143.03535	0.8
159.03029	2.6
161.04570	12.3
235.11870	100.0
236.12230	4.9
334.14218	0.7
356.24408	0.8
367.16119	35.5
368.16458	3.5
371.23428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06804	0.2
57.03431	0.5
59.01367	1.1
60.00441	0.2
61.98824	0.3
69.03450	0.5
69.67634	1.8
71.79972	0.2
83.05036	0.5
87.57588	0.2
97.06631	0.3
98.80438	0.2
109.06601	0.2
115.07805	0.2
116.01694	0.3
155.10811	0.3
165.12816	0.3
167.10727	0.3
167.14418	0.5
177.12834	0.5
183.13914	10.6
183.15546	0.5
184.14262	0.6
193.12325	0.8
195.13908	23.5
196.14235	1.2
205.12363	0.2
211.13402	34.3
212.13725	1.8
213.14969	8.9
213.16635	0.1
214.15320	0.6
217.77625	0.3
223.13431	0.9
245.81525	0.3
315.26978	4.0
333.28128	0.5
341.24829	0.5
359.26004	3.1
360.26282	0.4
371.25851	0.4
377.26996	3.2
378.27240	0.6
389.26917	0.6
395.28223	0.7
407.28024	1.3
425.29077	100.0
426.29416	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	425.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35218	0.9
55.01873	1.9
57.03448	2.2
59.01379	66.2
61.98828	6.0
67.01861	1.2
69.03448	2.0
71.01388	32.3
71.68997	1.8
72.00912	22.3
72.99304	2.9
73.02954	6.4
74.99113	1.2
75.00877	3.5
79.72219	1.1
82.03007	1.0
83.01384	2.9
85.02966	10.6
87.00884	3.8
87.04498	2.1
88.98826	1.3
89.02454	19.7
89.61599	0.9
95.01394	2.2
96.96017	1.7
99.00877	3.2
100.00420	86.8
100.04049	5.9
101.00742	1.2
101.02460	24.2
101.06100	1.0
108.02171	1.5
109.02937	1.6
109.44830	0.9
111.00923	1.4
113.02462	19.4
114.02825	1.2
117.05508	1.1
119.03510	6.9
120.99705	0.9
121.03055	1.7
123.00847	1.6
123.04494	1.9
125.02452	7.5
127.04011	2.0
131.03503	1.1
131.07114	1.9
134.03809	1.3
136.01659	1.2
137.02489	9.8
138.03242	3.5
139.04044	2.3
143.03503	2.9
144.03044	100.0
145.03387	2.1
145.05063	5.2
146.03755	3.0
148.06331	1.3
149.02481	2.0
150.03191	2.9
151.04065	4.6
152.01172	21.5
153.01942	6.1
159.03004	2.0
159.06650	1.9
161.04588	13.4
161.05904	1.9
163.03915	1.1
164.04820	1.4
165.01933	27.7
165.03218	2.1
165.05560	2.3
166.02733	28.3
167.03514	51.5
168.03880	2.3
169.01395	4.8
179.03514	4.3
179.05591	3.8
179.07155	7.6
180.04295	8.2
181.05080	42.6
182.05424	1.5
191.03401	1.0
192.04317	1.6
195.03018	1.7
195.06584	1.4
197.04587	1.6
203.12944	6.8
207.06618	3.1
228.06406	3.8
229.07140	3.4
235.06038	4.0
268.24234	1.1
283.08200	3.0
293.15976	2.3
299.98984	1.8
300.99823	4.7
329.09985	1.2
365.18170	78.5
366.18402	5.7
425.07172	3.5
425.14047	4.5
425.19092	3.0
425.27563	1.5
426.15063	1.7
426.20529	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	425.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
59.01382	50.6
60.99293	3.9
61.00762	1.8
61.98836	37.2
65.72177	1.7
67.01888	5.5
69.03448	3.2
71.01395	19.6
72.99307	3.0
73.02951	10.0
75.00865	7.4
75.31439	1.8
76.32948	1.5
81.03495	2.0
83.01418	2.4
85.02955	5.0
87.00896	2.8
87.04491	2.8
88.98814	15.6
89.02473	10.2
93.03455	3.5
95.01388	4.3
96.96041	2.7
97.02955	3.5
98.20624	5.0
101.02462	13.6
101.06097	5.5
107.01394	6.4
108.02203	2.2
109.02954	4.8
111.00897	22.9
111.04462	2.2
113.02458	7.0
117.03423	1.5
119.03521	3.3
120.99656	5.4
121.02927	2.6
123.00880	9.7
124.01675	6.9
125.02470	73.2
126.02837	3.1
128.03513	1.8
128.71739	1.8
134.04848	1.7
135.04582	2.3
136.98988	2.0
137.02446	5.8
139.00414	3.9
139.04007	6.4
141.01970	3.6
143.03514	1.9
145.02946	1.7
150.03220	2.2
151.00380	5.2
151.04079	2.2
152.01125	3.7
153.01903	2.1
158.92574	2.7
159.02959	1.9
159.10368	3.7
159.11696	1.6
161.02478	4.1
161.04530	4.8
163.04019	2.4
165.01945	3.2
165.05527	2.8
166.02812	4.1
167.03450	2.3
168.00677	10.1
169.01445	100.0
170.01740	5.3
177.01924	3.3
179.03511	2.0
181.05040	3.7
181.36389	1.7
183.03098	2.1
189.01953	3.1
191.03528	3.9
193.01421	4.6
199.06122	2.1
203.03561	1.9
209.08127	3.7
211.02528	11.7
211.09630	2.7
216.00444	1.8
219.03030	3.5
237.77896	2.1
248.03297	5.9
263.01990	4.2
263.05484	3.0
293.16101	4.8
299.99039	9.5
300.99905	8.6
309.31815	1.9
313.05753	13.0
337.09302	3.5
365.05167	10.4
365.21725	5.9
425.01697	2.6
425.07043	51.9
425.19760	20.4
425.25711	3.2
426.02039	2.4
426.07416	4.8
426.19855	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	425.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00114	0.5
55.01867	0.5
57.26797	0.4
59.01382	5.4
60.45331	0.5
61.98824	1.0
67.01894	2.8
69.03468	4.1
69.44121	4.9
71.01380	2.6
81.03466	1.7
83.01402	1.4
85.02978	0.9
87.00875	0.8
89.02449	0.5
89.74973	0.5
93.03477	0.5
95.01392	1.1
97.02969	3.5
98.19898	0.8
101.02456	1.3
107.01405	1.4
107.21790	0.5
108.02167	0.7
109.02965	1.6
111.00896	7.6
113.02453	1.6
119.05032	0.6
121.03007	1.2
123.00906	7.3
123.04564	0.7
124.01692	19.6
125.02469	56.0
126.02805	2.5
133.02989	0.5
135.04591	0.6
136.01649	0.6
137.02469	4.1
149.02504	0.5
149.99608	36.2
151.00403	2.6
161.02312	0.5
163.03995	0.8
167.03468	0.9
168.00662	65.3
169.01384	6.8
179.03481	0.7
231.44843	0.4
301.03455	0.6
313.05685	4.4
332.06927	0.8
365.21786	2.3
407.06284	3.7
425.07263	100.0
426.07596	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	425.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.9
59.01378	31.4
61.98828	6.7
63.25099	0.8
67.01894	1.5
69.03463	1.0
69.45273	0.8
69.63003	3.6
69.63436	2.8
71.01385	16.5
72.00915	20.4
72.99311	1.1
73.02950	2.9
74.02491	1.0
74.99111	2.6
75.00887	3.0
78.95924	2.3
82.02981	0.8
83.01408	2.2
83.05037	1.5
85.02956	5.2
87.00887	1.9
89.02448	10.9
93.03463	1.7
95.01376	1.6
97.02922	0.9
99.00891	1.2
100.00417	88.4
100.04057	6.5
101.00748	1.6
101.02457	10.9
101.06087	0.8
103.74110	0.6
108.02206	1.5
109.02962	3.3
111.00847	2.0
113.02449	9.9
119.03532	3.6
120.99648	1.0
121.02972	1.1
121.30935	0.7
123.00904	1.7
123.04539	1.9
124.01701	1.8
125.02474	7.4
126.02803	1.0
127.04050	4.7
127.04819	0.9
128.08952	0.8
131.07115	2.6
134.03731	1.6
137.02449	14.6
138.03302	4.4
139.04071	1.3
142.09723	0.8
143.03506	0.9
144.03041	100.0
145.03412	1.5
145.08745	1.5
146.03766	3.9
148.06290	0.9
149.02460	2.5
150.03226	3.8
151.04027	5.2
152.01166	27.2
153.01976	5.8
154.02911	0.8
159.06625	3.1
161.04587	4.7
161.05962	1.5
164.01216	0.9
164.04808	3.0
165.01947	36.7
165.05630	3.7
166.02731	39.1
167.03510	62.8
168.03868	2.5
169.01442	4.7
169.05045	1.3
175.04028	1.3
177.01912	1.0
177.05589	0.8
179.03554	6.5
179.05656	1.7
179.07094	9.4
180.04323	14.4
181.05077	57.1
182.05357	2.7
185.42409	0.7
192.04251	2.0
195.02942	0.9
195.06587	1.0
197.04530	2.0
198.05321	1.2
203.12886	2.1
207.06638	4.5
228.06416	5.0
229.07216	3.8
235.06114	5.0
283.08295	3.5
293.16034	3.5
297.12033	0.8
299.09109	1.5
299.99066	2.5
300.99997	1.6
301.09332	1.4
309.07999	1.1
354.78439	0.8
359.11267	1.1
365.18152	32.5
366.18594	2.8
387.13016	1.3
407.07706	2.0
425.07257	2.7
425.14346	6.7
425.19501	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	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.1
57.03451	4.4
58.00590	1.6
59.01379	29.6
61.98830	28.8
62.98531	0.7
63.99229	0.4
69.03461	1.3
70.39253	0.4
71.01385	55.1
71.71600	0.5
72.01713	0.8
72.99318	2.7
73.02950	30.6
74.03309	0.4
75.00875	1.8
75.55141	0.4
81.03479	0.8
83.01392	11.9
85.02958	28.1
86.00109	2.0
86.03310	0.4
87.00883	3.4
89.01903	0.6
89.02450	9.7
91.02007	0.3
95.01393	4.1
97.02968	2.4
99.00892	11.3
99.04523	0.7
101.02454	57.9
102.02800	1.1
111.00861	2.5
113.02462	18.3
115.04029	1.9
119.03530	0.7
125.02455	3.5
127.11337	0.9
129.01924	1.5
129.12894	0.5
131.03508	3.3
143.03531	2.0
149.04593	1.5
159.02998	3.7
161.04570	15.9
162.04973	0.6
171.13850	0.5
176.51822	0.4
191.05678	0.4
199.13379	0.7
233.06633	2.4
291.18121	84.1
292.18427	6.1
293.08777	1.1
333.20569	0.8
335.17151	0.8
363.63696	0.4
423.22369	100.0
424.22708	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	423.3117
Annotation	Mycaperoxide F methyl ester
Peak:m/z	Relative Intensity
52.79071	0.9
57.03450	21.3
59.01383	5.5
61.98834	10.1
67.01887	4.0
69.03452	1.0
71.05020	1.0
71.72480	1.5
80.02689	5.2
80.96547	0.9
81.03452	1.0
83.01414	1.9
85.02961	13.2
93.03458	2.6
94.04275	1.0
95.01402	2.3
95.04482	1.0
95.05039	14.1
97.02922	1.2
98.03732	8.2
111.00906	7.7
120.05814	2.3
121.06664	2.4
127.11313	1.2
138.06886	1.4
139.04044	5.1
152.04803	2.9
237.22298	1.1
281.24869	0.9
307.30173	1.1
315.51819	1.1
319.29959	2.4
321.27866	3.0
335.29562	3.1
337.31137	4.6
351.32455	1.9
361.31107	17.1
362.31412	2.5
379.32181	82.6
380.32440	9.4
423.31137	100.0
424.31473	10.6
442.67813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69015	0.2
58.96036	0.2
59.01389	1.4
61.98831	100.0
62.98532	0.2
65.17416	0.2
71.01392	1.0
73.02953	0.5
79.37586	0.2
80.98074	0.2
83.01406	0.3
83.44193	0.3
85.02962	0.4
86.88760	0.2
89.02461	0.3
99.00925	0.3
100.80499	0.2
101.02473	1.5
102.02800	0.4
109.83921	0.2
113.02441	0.4
117.40260	0.2
131.03568	0.6
132.03873	0.3
156.91289	0.3
159.46120	0.2
161.04579	0.5
205.87199	0.2
216.56265	0.2
255.73972	0.3
291.18320	0.9
292.18515	2.1
318.36578	0.2
325.46744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.5
56.80778	0.3
57.03454	3.7
58.00595	1.9
59.01380	32.1
60.01714	0.5
61.98832	24.3
62.98521	0.5
67.01887	0.3
69.03458	1.5
71.01385	55.5
72.01720	1.1
72.99311	3.3
73.02952	31.0
74.03279	0.5
75.00879	1.8
75.01236	0.3
81.03453	0.7
83.01393	12.8
84.01698	0.3
85.02957	29.5
86.00115	2.1
86.03278	0.7
87.00891	3.1
89.02451	11.4
95.01403	3.7
97.02966	2.5
98.19872	1.0
98.28249	0.3
99.00893	12.4
99.04488	0.6
101.02454	59.9
102.02809	1.5
103.04043	0.3
111.00237	0.3
111.00878	2.1
113.02466	21.7
114.02796	0.4
115.04081	1.5
119.03519	0.6
119.05098	0.4
125.02457	4.1
127.11287	0.6
129.01981	1.4
129.12848	0.3
131.03510	2.9
141.01859	0.3
143.03503	2.5
149.04575	1.9
157.12340	0.7
159.03018	4.1
161.04572	17.4
162.04875	0.5
171.13911	0.6
191.05682	0.9
193.23340	0.3
199.13417	0.6
205.03566	0.8
205.93372	0.3
229.63799	0.4
233.06677	3.1
261.99829	0.3
291.18121	87.1
292.18478	8.0
293.08777	1.2
333.20856	1.5
335.17090	0.5
342.22000	0.3
423.22363	100.0
424.22665	11.0
445.26758	0.3
446.49149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0934
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
51.72952	0.3
53.69482	0.3
55.01870	0.5
59.01384	2.3
63.50713	0.3
65.00333	0.4
67.01887	0.6
67.90150	0.3
68.30517	0.4
69.03448	0.8
69.91302	1.3
69.91714	0.7
71.01385	4.6
72.99289	0.4
73.00196	0.4
73.02945	1.2
73.72974	0.3
79.01893	1.0
80.57844	0.3
81.03469	0.5
83.01382	1.2
85.02962	3.1
87.00861	0.5
93.03484	0.4
95.01398	2.4
96.99284	0.4
97.02950	1.1
98.20573	0.7
99.00898	0.6
101.02448	2.5
107.01404	5.0
108.01547	0.4
108.02203	5.5
109.02966	14.5
110.00066	0.3
110.03332	0.3
111.00874	1.8
113.02465	2.1
123.00902	13.8
123.04507	0.5
124.01687	1.5
125.02462	31.9
126.02776	0.7
127.00424	0.5
135.04553	0.4
136.98834	1.3
137.02432	0.5
139.00397	3.7
140.01186	4.1
141.01976	2.0
146.22144	0.3
149.66045	0.3
151.00395	10.7
151.04005	0.6
153.01941	0.7
161.04610	0.4
168.00659	3.8
169.01448	41.6
170.01767	1.5
179.03470	0.4
211.02477	1.0
223.02463	0.5
241.03464	0.8
253.03575	0.9
297.06299	1.1
313.05643	8.8
313.09265	0.6
314.06174	0.6
423.09329	100.0
424.09625	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	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08278	3.6
54.88105	3.6
59.01383	49.7
60.01701	4.0
61.98832	64.5
71.01392	18.7
72.99323	5.7
73.02918	4.1
85.02929	5.9
87.00877	4.1
89.02444	10.3
93.03470	4.8
98.19913	8.9
101.02453	12.1
105.57192	4.1
113.02441	7.5
119.03514	4.6
120.99645	15.7
122.08493	3.9
125.02497	5.3
134.03630	5.5
135.04562	4.6
137.02475	4.1
145.02917	9.5
150.03239	4.7
161.04564	5.1
165.01900	4.2
173.11804	4.8
179.05559	4.4
180.04349	4.2
195.06607	5.2
209.11855	4.5
247.11942	9.6
261.03955	4.6
291.10941	10.9
335.10095	6.8
413.55228	4.5
423.08707	8.4
423.12698	9.4
423.17575	100.0
424.17874	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	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	26.2
61.98832	32.5
71.01386	11.9
83.55373	3.9
86.36300	3.6
87.04583	3.6
89.02466	7.5
96.96028	3.9
101.02480	6.6
120.99689	11.3
134.03661	8.7
137.02484	4.4
145.02983	7.3
150.03183	4.2
164.04758	5.7
165.01917	4.0
165.05595	5.7
165.94897	3.5
169.01262	5.9
192.53784	3.7
195.06685	3.8
229.42990	4.1
259.85184	3.5
291.10938	5.9
297.24234	3.8
313.47665	5.1
397.74991	3.7
423.12616	8.1
423.17734	100.0
424.18082	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	423.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55285	0.7
55.01855	0.9
59.01376	8.8
63.24158	1.0
70.68121	2.7
70.68459	0.7
71.01392	5.6
72.99316	1.8
75.00858	1.1
78.69351	0.8
78.95896	2.0
79.95744	7.9
80.91691	2.0
80.96504	1.1
85.02960	0.9
87.00877	2.0
89.02454	3.2
93.03478	1.0
96.96021	1.6
96.96975	4.5
99.00871	1.2
101.02444	2.7
111.00870	3.4
112.98791	0.8
113.02435	2.5
119.05044	68.8
120.05378	2.8
125.02453	2.3
135.03575	1.1
135.04533	11.7
139.64685	0.8
147.04518	0.8
149.37468	0.7
161.04440	0.9
163.04030	32.2
163.05385	1.7
164.04318	1.4
169.01447	2.2
181.05095	12.8
189.01862	1.0
191.03537	3.0
199.00713	29.8
200.00995	1.6
215.00215	18.9
217.01530	2.1
218.23839	0.9
223.06027	1.1
235.02534	0.9
241.00168	1.2
242.99611	2.1
243.03395	0.8
261.00693	13.0
282.08481	0.9
305.32339	0.7
338.84308	0.8
343.10474	5.1
363.03757	1.4
379.06821	1.0
382.43936	0.8
423.05927	100.0
424.06229	7.5
424.11322	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	423.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
58.00612	0.8
59.01381	15.9
60.80470	0.5
61.98833	2.2
68.66264	0.5
71.01384	7.2
71.18575	0.7
71.18942	1.0
72.99316	2.2
73.02985	0.9
75.00890	1.2
75.28657	0.5
78.49061	0.4
79.17056	0.4
79.95741	8.9
80.91698	0.5
80.96551	1.2
81.23277	0.4
83.01414	0.6
85.02955	2.4
87.00906	0.8
89.02453	4.6
93.03481	1.2
95.01434	1.1
96.96051	0.7
99.00883	0.8
101.02455	4.0
107.01407	1.4
107.05054	0.9
108.02186	1.7
109.02982	3.7
111.00901	1.0
113.02464	2.6
115.92129	0.5
116.92854	1.8
117.03477	0.5
119.05042	87.3
120.05379	3.3
121.02935	0.6
123.00900	4.0
125.02467	9.6
135.04547	15.1
139.00375	1.4
140.01180	0.8
151.00409	3.0
157.05078	0.5
161.04543	0.8
163.04028	36.7
164.04337	1.5
165.05524	0.7
168.00612	1.3
169.01447	12.3
170.01656	0.5
179.05629	0.5
181.05089	15.7
197.88216	0.5
199.00722	31.2
199.05066	1.0
200.00946	1.2
215.00206	18.8
216.00435	1.2
223.06108	0.9
242.99667	4.1
261.00717	11.2
313.05627	2.7
313.12860	0.6
343.10367	4.7
423.05554	100.0
424.01077	0.8
424.05930	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	422.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93678	0.8
57.41838	1.0
58.02975	6.7
58.09684	0.8
59.01385	5.1
61.98820	1.6
68.05026	1.1
69.58249	6.6
69.58662	2.0
70.02979	1.5
71.01389	3.2
71.60591	0.9
72.00942	1.5
74.02480	14.9
76.55329	1.0
77.33187	0.8
82.02998	2.3
85.02974	0.8
86.02467	5.8
86.99113	1.5
87.05665	3.5
89.02467	2.2
90.00179	1.1
96.96028	1.3
97.04097	1.8
98.20568	2.0
99.05661	11.2
101.07249	1.1
102.05628	1.6
109.04095	1.1
111.05687	1.2
112.04053	1.3
119.03490	1.1
120.01225	1.0
123.00935	1.0
123.05662	1.6
125.02489	2.1
125.03601	1.1
127.05148	1.3
128.03555	39.3
131.04640	1.0
135.04552	3.3
135.05675	3.3
136.04869	2.7
141.06734	4.2
143.04642	52.1
145.06207	2.4
146.04607	4.1
149.02455	1.7
150.03249	2.0
151.00423	1.1
153.06752	3.4
160.00775	14.3
165.05600	3.2
166.02693	1.2
166.09859	2.1
167.04652	3.5
167.08337	2.2
169.01434	1.5
177.03377	6.3
179.03609	1.1
179.04698	9.8
180.03882	2.5
181.06299	1.1
185.05757	1.4
192.07762	1.6
193.54160	1.0
197.05630	1.1
198.08759	1.1
207.06638	1.9
210.08858	11.7
234.40437	0.9
242.07901	1.4
254.07800	11.1
272.08865	19.7
273.09189	1.3
288.06671	8.0
301.00500	0.9
306.07654	100.0
307.07877	7.4
331.11990	1.5
375.98978	0.9
404.15009	3.6
413.04941	0.9
422.21393	1.3
423.09021	4.3
423.18259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
57.03452	0.3
58.64527	0.2
59.01380	3.7
61.98832	100.0
69.03452	0.2
71.01389	5.1
72.99323	0.3
73.02948	3.0
73.47709	0.2
83.01404	1.1
84.85792	0.2
85.02959	3.0
86.00154	0.3
86.86527	0.2
87.00892	0.4
89.02483	1.3
99.00906	1.1
101.02450	5.6
101.03059	0.4
111.00898	0.3
113.02458	1.8
114.18776	0.3
131.03603	0.2
132.21986	0.3
159.03033	0.3
161.04582	1.7
291.18164	8.6
291.21487	0.4
319.59726	0.3
422.99704	0.3
423.22366	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.5
61.98805	0.8
71.08642	0.6
93.03452	0.4
95.05001	0.7
95.57207	0.2
97.02954	0.4
129.47726	0.2
145.02953	0.6
164.94028	0.2
206.56343	0.2
213.55190	0.2
263.20090	0.8
285.03986	0.4
286.04391	0.3
303.23410	0.2
357.24442	2.3
358.24304	0.3
359.25909	20.1
360.26291	2.1
368.74106	0.3
373.24005	0.3
377.26959	33.8
378.27322	4.1
403.24948	1.9
421.25937	100.0
422.26288	11.2
422.32144	0.3
447.98816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
59.01377	100.0
60.01718	1.0
60.91165	0.3
61.98830	8.9
69.58447	1.3
69.58881	1.3
71.01385	0.8
73.02945	0.5
75.57045	0.3
76.89928	0.3
85.02949	0.4
87.04489	0.4
89.02465	0.3
101.02478	0.5
105.95737	0.3
109.06635	0.3
113.02523	0.4
113.09760	0.4
123.08191	0.6
127.11259	0.7
143.10803	0.6
149.99675	0.8
150.50711	0.3
151.00377	0.3
153.09273	0.3
157.12407	0.4
169.12331	0.4
171.13951	0.8
187.13380	1.4
201.14954	1.4
217.14424	0.6
272.48206	0.3
313.05746	0.9
315.25464	0.7
359.27802	1.4
361.29587	40.1
362.29929	4.6
421.27518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
57.03741	0.6
58.00591	0.7
58.99602	18.2
59.01379	21.5
61.59772	0.7
61.98832	100.0
64.72683	0.6
68.42460	0.7
69.03431	0.8
69.71143	4.9
71.01386	20.5
72.99316	1.5
73.02959	4.9
74.99126	0.8
78.91885	3.2
80.91694	8.0
83.01405	1.8
84.04538	1.8
85.02962	8.5
87.00893	15.1
88.16806	0.6
89.02460	8.3
94.02997	0.9
94.12018	0.8
95.01404	3.0
96.00938	1.0
96.96043	0.8
97.01714	2.2
97.02966	1.2
99.00891	2.0
99.04542	0.9
101.02454	9.0
102.98611	98.6
103.99007	1.6
107.01415	2.6
107.05027	1.1
108.02192	2.5
109.02959	5.4
111.00887	4.0
112.01270	0.8
112.04060	26.8
113.02477	7.5
119.03517	3.1
120.99670	9.0
121.02959	0.9
123.00902	7.2
124.01686	0.8
125.01627	1.3
125.02469	17.9
126.05624	6.8
128.03557	2.6
129.50777	0.8
133.03020	0.7
135.04538	7.8
136.04866	5.3
136.98834	1.1
137.02405	1.5
138.05602	2.3
139.00380	2.3
140.01160	1.9
141.01956	1.4
143.03540	2.0
143.04655	1.9
150.03297	0.8
151.00400	5.1
159.03009	1.5
161.04596	7.4
165.01970	1.0
165.05568	1.1
168.00644	2.9
169.01440	21.5
172.04373	4.1
179.03482	9.4
179.05060	0.9
179.05676	1.4
180.03824	6.5
195.06508	0.8
201.11348	0.8
205.07141	1.0
206.47008	0.7
211.02449	1.4
234.82907	0.8
238.01151	1.1
242.08250	0.7
242.94777	2.6
247.02553	1.0
249.06169	6.7
260.95828	3.6
283.04919	79.4
284.05225	4.7
300.99860	3.8
306.07767	4.3
313.05658	10.5
359.09909	1.2
363.16611	4.9
392.02808	0.9
422.21027	1.0
423.00543	2.5
423.09378	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37214	2.8
59.01369	10.6
69.45704	12.8
69.46136	10.6
71.01365	4.1
72.10027	2.5
76.51676	2.4
86.70657	2.4
108.02187	5.2
119.05077	2.2
127.07704	5.3
127.48029	2.3
140.90921	2.7
192.42274	2.5
239.23434	2.8
421.09891	8.9
421.16345	100.0
422.16754	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84968	1.9
55.10529	2.3
56.31190	2.2
57.11719	1.9
59.01380	100.0
60.19276	1.9
61.98824	4.9
67.44810	1.9
69.32011	18.9
71.01392	19.2
73.02943	6.8
83.01360	2.5
85.02956	10.5
87.00877	2.1
89.02454	12.6
101.02457	15.0
109.06621	9.7
113.02448	7.5
119.03561	3.6
127.07669	38.4
127.08592	1.7
127.81737	2.6
136.35930	2.0
139.00342	2.5
154.95610	2.0
161.04541	8.2
165.05608	3.0
171.06598	3.0
191.05634	3.2
267.10822	5.1
361.18716	7.4
421.16635	58.2
421.22241	2.9
421.25009	3.4
422.16837	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	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86444	7.9
57.01484	6.9
59.01369	13.8
69.81955	51.7
69.82353	15.7
71.01379	11.4
71.05847	6.4
93.30104	6.6
100.15361	7.0
104.43006	7.9
109.66489	8.1
117.82682	7.5
125.12427	7.4
250.57825	7.7
421.11099	16.3
421.16290	100.0
421.21222	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	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96546	0.6
56.78162	0.7
59.01376	2.2
61.98823	2.4
70.21597	0.6
78.05168	0.6
78.95909	25.8
80.96521	2.1
96.96017	1.9
98.19859	1.6
110.98545	45.1
127.60284	0.7
152.99623	4.9
167.01180	1.1
185.02209	100.0
186.02538	2.0
229.37477	0.7
253.21710	28.2
254.21980	3.2
421.22815	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	421.2596
Annotation	Lovastatin acid
Peak:m/z	Relative Intensity
59.01368	1.4
61.98820	1.3
69.03450	0.5
71.74252	0.4
71.74718	0.6
76.15874	0.5
91.09671	0.4
96.02289	0.4
96.96025	1.1
97.02965	0.6
226.59773	0.5
263.20190	0.8
319.21286	0.4
357.24356	1.7
359.21320	0.8
359.25888	19.5
360.26266	1.9
377.26941	30.3
378.27313	3.3
403.24805	1.9
411.27158	0.5
421.25931	100.0
422.26202	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66080	3.1
59.01379	92.9
61.98827	8.2
64.71635	3.3
69.67394	2.9
71.01390	8.3
73.02956	6.8
75.00875	5.6
85.02974	3.9
89.02459	11.6
98.19807	5.3
101.02460	8.0
101.98547	3.4
102.96523	3.5
113.02460	11.3
119.03502	4.2
125.02489	4.0
127.07686	12.1
149.02502	8.9
150.03241	8.7
161.04539	3.4
165.05608	5.2
179.03436	4.5
183.68810	3.3
202.99844	3.3
209.04701	4.6
258.01581	5.2
259.06042	4.2
294.37433	3.9
314.34399	3.3
326.17618	3.5
421.16364	100.0
421.24496	10.9
422.16553	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	421.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.1
57.03440	1.2
59.01382	42.3
60.01709	0.7
61.98832	3.3
67.01908	0.7
68.99818	1.3
69.03477	1.0
70.06980	0.7
70.48633	2.7
71.01391	16.8
72.99320	1.0
73.02962	5.6
76.06432	0.6
83.01404	3.7
85.02959	8.2
87.00891	1.6
89.02465	2.8
93.03471	31.0
95.01401	8.0
96.99328	2.2
97.02921	1.1
99.00911	1.2
101.02468	11.9
108.02187	7.2
109.02975	5.3
111.00924	1.8
113.02477	8.9
120.99707	1.4
121.02980	2.4
123.00906	65.8
123.04474	1.6
124.01693	46.8
125.02414	3.0
127.05910	2.1
135.04555	0.8
136.01701	4.4
137.02472	71.1
138.03282	24.3
139.00400	1.4
139.04037	28.4
140.04337	0.9
143.04622	0.6
149.02473	1.6
150.03194	0.8
151.04005	1.5
152.01195	1.3
153.01959	1.8
157.08656	0.8
161.04564	4.2
165.05687	1.6
166.99915	1.1
167.03526	4.0
168.00684	3.0
171.04849	1.2
177.44586	0.7
179.03520	1.6
180.81145	0.6
181.05107	1.2
191.03482	1.2
193.05087	0.8
195.02887	0.7
195.06673	1.5
197.12022	0.9
206.18446	0.7
209.04649	0.9
221.04659	1.4
221.06639	1.3
225.07767	0.9
227.12878	1.4
242.26302	0.8
244.61136	0.6
263.07709	0.8
273.00217	0.7
281.06671	68.1
282.07074	3.6
302.74405	0.7
311.07706	5.0
349.15036	0.7
361.18668	2.3
385.18866	0.8
403.19846	0.9
420.76810	0.8
421.11441	100.0
421.20721	2.7
421.28290	4.0
422.11685	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	421.114
Annotation	Benzyl 6'-O-galloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01873	0.7
57.03438	0.7
59.01383	6.1
61.98829	2.3
65.00314	0.4
67.01910	1.3
68.99825	0.4
69.03460	0.8
69.67976	2.1
71.01385	6.1
72.55936	0.2
72.99323	1.1
73.02958	2.3
75.00860	0.3
79.01911	1.3
83.01395	2.0
85.02963	3.0
87.00885	0.8
89.02451	1.1
95.01397	2.9
97.02964	1.3
99.00889	1.3
101.02464	4.6
107.01411	3.6
108.02274	0.3
109.02969	1.0
110.00095	0.4
111.00899	3.2
111.04515	0.3
113.02475	2.6
115.07664	0.3
116.92899	0.7
120.99677	1.2
123.00905	17.8
123.04440	0.3
124.01768	1.6
125.02467	19.3
126.02839	0.5
127.00385	0.7
127.07652	0.5
131.03549	0.3
135.04590	0.5
136.98859	1.2
137.02481	4.6
138.03217	1.1
139.00397	5.7
139.01401	0.5
139.04004	1.7
140.01180	4.3
141.01952	2.8
145.02943	0.5
147.04575	0.3
149.02422	0.4
149.06128	0.4
149.99614	0.7
151.00392	13.1
151.03929	1.2
152.00739	0.5
152.04808	0.3
153.01990	0.9
153.05469	0.2
153.44342	0.2
154.99907	0.4
163.04044	0.9
165.05621	0.5
166.06345	0.8
166.99910	0.3
167.03505	0.3
168.00670	4.5
169.01450	20.9
170.01921	0.6
177.05585	1.1
179.03516	0.8
179.05696	0.3
180.04286	0.9
181.05078	2.7
185.11826	1.9
193.01364	0.3
193.05107	0.3
194.05872	0.5
195.06648	2.5
209.08208	0.4
221.08170	0.3
223.02449	0.3
243.53185	0.2
253.03653	0.3
253.09039	0.3
253.87927	0.2
259.05832	0.3
259.18817	0.3
281.06863	0.3
313.05664	1.7
330.06381	0.5
361.12900	0.7
361.18744	0.9
383.13458	0.3
391.13855	1.0
403.27155	2.1
406.16467	2.3
421.11407	100.0
421.18491	8.8
421.27579	4.9
421.61163	0.5
422.11743	9.4
422.18799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.3
59.01378	8.6
60.01710	0.7
61.98831	100.0
63.97542	0.2
70.98530	0.3
70.98871	0.4
71.01419	0.3
83.01431	0.3
87.00851	0.3
87.04549	0.2
97.06641	0.2
101.02484	0.3
127.80844	0.2
130.82568	0.2
163.33743	0.3
317.15753	1.3
331.29260	0.2
360.28391	2.0
361.29355	0.5
420.25211	0.4
421.26721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43943	0.4
57.11392	0.4
59.01375	2.5
61.98832	100.0
69.40548	0.4
69.99761	0.4
80.06039	0.4
96.96063	0.4
106.13652	0.4
119.05053	1.6
125.02520	0.4
145.03001	1.9
146.03400	0.5
163.04063	1.1
180.29636	0.4
229.34341	0.5
285.03989	2.1
372.95166	0.4
396.48029	0.4
420.28665	4.4
421.26248	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	419.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78839	0.5
57.03449	2.2
59.01380	100.0
60.01725	1.1
61.98833	17.7
64.72695	0.4
71.01399	1.7
71.05025	1.0
71.71394	0.5
71.71764	0.5
73.02961	1.8
85.02962	0.7
89.02446	1.0
99.08171	0.4
101.02457	0.6
113.02426	0.5
113.09730	0.6
121.03036	0.7
121.10275	0.8
123.08185	0.9
125.02506	0.6
127.11279	0.5
133.90550	0.5
137.09741	0.7
139.11340	0.4
143.10811	0.6
151.68489	0.4
155.10863	0.8
157.12425	1.1
165.09291	0.5
167.10873	0.8
171.13962	0.6
181.12408	0.7
183.13893	0.6
187.13425	1.3
198.80211	0.4
201.14989	2.3
227.92520	0.5
239.20273	0.7
257.08337	0.6
285.72775	0.5
295.22827	1.1
338.07318	0.6
359.28027	47.8
360.28345	4.9
375.25830	0.5
401.09488	0.5
401.23642	0.6
419.20538	0.9
419.25089	1.0
419.30240	8.1
420.30945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
56.82684	0.5
57.03444	6.5
58.00592	5.1
59.01380	100.0
60.01725	0.8
61.98831	7.1
67.01915	1.4
69.03469	2.2
71.01388	73.8
72.01733	0.8
72.99318	6.8
73.02968	4.5
75.00903	0.9
79.01917	0.6
81.03465	1.9
83.01393	4.8
85.02962	14.9
87.00884	10.9
87.04504	0.7
88.98808	1.8
89.02457	85.8
90.02808	1.1
93.03472	1.4
95.01411	6.2
95.05038	1.1
96.96035	0.9
97.02956	2.3
97.06608	7.4
98.19897	1.2
99.00909	2.5
99.04561	1.0
101.02457	48.4
102.02771	1.4
102.98641	0.7
107.01388	1.7
107.05048	0.8
108.02197	1.3
109.02971	1.9
109.06612	2.3
110.02502	0.7
111.00880	6.5
111.04521	0.7
112.04059	0.7
113.02467	31.6
114.02763	0.7
119.03519	39.8
120.43373	0.6
120.99675	1.3
121.02969	1.2
121.06612	0.9
123.00917	4.6
123.04521	1.7
123.08176	0.8
125.02464	13.4
126.02843	0.9
127.00352	1.1
127.04076	0.6
128.57117	0.6
129.05643	0.8
131.03510	5.9
133.06573	2.8
135.04512	1.7
136.05307	1.3
136.98872	1.0
137.02437	0.8
139.00351	2.5
139.07686	5.5
140.01192	1.2
141.02011	1.2
143.03514	8.0
143.04597	1.0
146.03748	2.0
147.04514	0.6
149.02448	0.8
149.04568	4.1
149.09749	3.4
151.00406	4.8
151.07710	3.4
151.11295	0.5
159.03006	1.4
159.04527	0.8
161.04581	8.8
161.09698	0.9
163.04041	4.0
163.07651	1.2
164.04828	7.0
165.01955	0.9
165.05411	0.8
166.99777	0.8
168.00606	1.6
169.01463	13.9
169.03239	1.9
170.01711	0.8
177.01935	0.7
177.04091	0.8
178.06364	1.2
179.05588	15.2
179.07140	16.3
179.10739	5.7
180.07491	1.0
181.08690	1.0
185.09708	2.2
191.05626	0.8
191.10799	29.4
192.11098	2.2
197.08098	0.9
203.10861	1.0
209.11839	9.9
211.02299	1.0
221.06549	2.6
221.11812	1.9
239.05672	0.9
239.12903	5.2
257.06628	1.3
257.13904	10.1
273.04919	1.2
289.07065	0.9
297.06149	1.1
329.06531	0.9
341.12296	1.6
359.13501	2.9
383.17157	3.2
401.18219	4.9
419.11673	44.1
419.18958	52.3
420.12341	4.7
420.19717	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	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03448	6.7
58.00597	2.5
59.01381	79.4
60.01736	0.7
61.98829	3.1
67.01895	2.6
68.99798	0.8
69.03466	4.9
69.63651	4.8
71.01386	43.4
71.04440	0.5
71.61795	0.5
72.01746	0.6
72.99303	3.5
73.02948	7.8
78.91895	0.7
79.01917	1.1
80.91693	0.6
81.03479	1.8
83.01389	4.0
85.02964	12.0
87.00887	6.3
87.04536	1.4
88.98833	5.0
89.02456	40.4
90.02784	0.6
93.03487	1.2
95.01402	4.0
95.05024	1.2
96.96086	0.8
97.02962	3.3
97.06590	3.7
99.00865	2.7
101.02460	27.8
102.02785	0.9
105.05598	0.9
107.01429	5.2
107.05079	0.5
108.02206	1.0
109.02991	0.9
109.06622	1.9
111.00899	14.7
111.04499	0.7
113.02467	19.4
119.03526	18.8
121.02979	0.9
121.06603	1.0
123.00904	15.9
123.04560	1.7
123.08195	2.0
124.01704	0.8
124.05309	3.3
125.02467	20.6
125.06126	1.1
126.02837	1.0
131.03537	2.1
133.06639	1.3
135.04596	1.3
136.05338	2.4
136.98878	0.8
137.02478	1.3
139.00360	3.5
139.07677	12.6
140.01167	2.4
140.08080	0.8
141.01970	3.0
143.03526	3.8
144.45015	0.6
147.08165	0.6
149.04630	1.4
149.09769	2.3
151.00409	10.7
151.07677	10.5
151.08890	0.6
153.01981	1.0
153.09242	0.6
154.03394	0.6
159.03014	1.1
161.04581	9.0
161.09717	7.4
163.04037	4.9
163.06096	1.0
163.07678	0.7
164.04803	8.4
164.08441	1.7
165.05513	1.0
165.09267	1.4
166.99957	0.6
167.03601	0.7
168.00673	3.3
169.01450	27.8
169.08701	1.1
170.01732	0.9
173.04581	1.0
173.09767	0.7
175.07683	1.3
176.08302	0.5
178.06380	1.9
179.03975	0.9
179.05652	10.3
179.07202	15.3
179.10785	27.5
180.07643	0.8
180.11172	1.1
183.06554	0.6
191.10793	20.3
192.11118	1.3
196.07422	0.7
197.08316	4.6
203.10930	0.7
209.11847	10.2
211.02553	2.0
211.13329	0.7
221.06622	0.8
221.11855	3.7
227.13002	1.1
227.67729	0.7
239.05702	0.9
239.12888	17.1
240.13251	0.9
257.13947	54.3
258.14246	3.3
271.04651	2.4
313.05704	2.2
333.15598	1.2
341.12601	1.6
359.13501	0.8
383.17081	0.9
401.18164	0.9
419.12088	100.0
419.19299	17.2
420.12390	8.7
420.19717	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	419.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02937	0.9
55.01878	1.3
57.03418	1.9
58.00587	3.8
59.01380	100.0
60.01696	1.2
61.98835	10.0
67.01888	3.8
71.01387	53.7
72.99332	5.0
73.02947	3.5
78.91894	1.6
83.01383	4.0
85.02962	11.2
85.91032	1.4
87.00874	4.8
88.98788	0.9
89.02455	67.3
95.01378	5.5
97.02950	2.8
99.00887	1.3
100.45378	1.1
101.02460	34.1
101.76132	1.1
102.98576	1.8
107.01395	4.5
108.02202	1.8
109.02940	3.5
110.02489	1.4
111.00890	18.7
113.02467	25.7
119.03524	31.4
122.03679	1.4
123.00899	8.3
123.04529	2.6
125.01612	1.6
125.02469	21.6
126.02769	1.2
127.00370	1.6
128.03583	1.4
131.03503	3.2
135.04581	1.7
136.98833	1.2
137.02437	3.5
139.00403	2.4
139.02217	2.4
140.01164	2.6
141.01961	1.1
143.03545	7.2
143.04536	1.7
145.03020	1.4
146.03769	16.1
149.04564	3.6
151.00420	7.5
151.03981	2.4
153.01938	2.9
161.04547	7.9
161.06073	6.7
164.04822	10.6
167.03413	1.5
168.00667	3.5
169.01410	21.5
169.03275	10.4
176.04559	1.1
177.01888	1.4
177.04245	5.3
179.05592	18.4
179.07129	49.6
180.07440	2.1
182.05901	2.3
197.08232	7.4
209.08211	1.4
229.29411	1.2
239.05664	6.3
241.03542	2.5
249.06198	1.6
283.04907	2.5
323.07669	1.4
359.13495	15.9
360.13556	1.3
373.14993	1.3
401.08765	2.0
404.15234	1.0
419.11810	62.0
420.12473	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	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12310	0.7
57.03450	3.5
58.00597	1.8
59.01379	92.1
60.01739	0.7
61.98830	9.7
69.36620	9.0
71.01385	26.6
72.99303	1.7
73.02979	1.8
75.00880	7.5
81.03461	2.1
81.92132	0.8
82.67174	0.8
83.01405	0.9
83.05048	1.5
85.02963	3.9
87.00864	1.5
89.02455	20.7
93.03465	10.8
95.01403	1.2
99.00914	1.3
99.04528	8.0
101.02468	4.6
107.05057	1.0
109.02975	1.1
109.06588	1.5
113.02477	3.5
117.32506	0.8
119.03484	1.2
119.05042	2.3
121.03027	1.3
123.00893	1.9
125.02463	2.7
131.03560	0.9
136.01683	1.8
137.02466	30.2
137.09686	0.9
138.02771	2.4
149.02455	0.8
149.04552	1.2
151.00336	1.6
151.04039	1.9
152.00877	0.9
155.10796	3.3
163.04001	0.9
165.12881	5.4
166.02757	2.4
167.03036	2.2
168.03198	0.8
169.01353	1.1
179.03528	4.7
181.05095	2.9
182.05389	4.2
183.05554	2.0
183.95016	0.7
189.12912	1.1
197.06091	1.9
199.09825	0.9
204.07961	1.0
207.13899	12.7
209.00810	0.7
209.07491	0.9
209.11829	30.0
210.12184	2.2
213.05620	1.0
219.05325	0.7
225.14941	8.7
226.15367	1.0
227.12875	1.7
235.94598	0.8
237.05991	1.4
239.05423	1.6
245.13457	0.9
249.94415	0.8
251.12839	5.0
269.13922	100.0
270.14307	7.1
287.14874	1.5
359.17163	1.0
389.11017	1.0
404.14111	1.1
419.13892	24.7
419.19208	96.2
419.64691	2.9
420.14197	3.8
420.19589	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	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70618	0.8
57.03445	2.4
58.00587	3.4
58.63571	0.8
59.01379	76.0
60.01730	1.0
61.98827	7.8
71.01387	23.5
71.73540	1.1
72.99310	3.3
73.02942	3.4
81.03471	0.9
83.01412	1.4
85.02959	6.0
87.00875	2.2
87.04520	1.0
89.02454	21.7
92.65076	0.8
93.03472	3.1
95.01357	1.2
95.05080	1.1
97.06601	1.3
99.04528	7.0
101.02459	5.3
103.03990	1.0
109.06598	1.9
111.04533	0.8
113.02425	4.0
114.62038	0.7
119.03632	0.9
119.05037	0.9
120.99689	1.8
123.00902	1.0
123.04494	0.8
125.02452	2.1
127.07674	2.7
131.03503	1.2
136.99223	0.9
137.02464	5.9
137.06117	6.0
149.04556	1.5
151.04066	1.3
153.09262	0.8
161.04596	2.0
163.11176	0.8
163.31302	0.7
165.12863	3.1
171.06619	2.8
176.01164	1.8
204.00560	0.7
206.56038	0.8
207.13934	7.0
209.11829	23.0
210.12125	1.4
215.08301	1.0
217.01350	0.9
225.14951	10.9
226.15414	1.1
227.08214	1.7
227.12888	2.3
236.05730	0.9
246.01637	2.4
251.12868	3.4
257.08109	1.6
257.11761	1.6
259.99567	1.9
269.13925	64.2
270.14249	5.3
281.06610	2.6
281.09326	1.7
283.09927	0.9
287.14890	5.7
299.10083	1.1
299.18698	1.0
329.15048	4.2
330.41232	0.8
343.08136	1.1
356.09918	0.9
357.06244	1.8
359.11377	1.1
359.16830	1.3
387.07370	1.9
401.25601	1.6
404.14911	1.4
419.19196	100.0
419.26398	7.5
420.19476	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	419.1198
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01879	0.3
57.03448	0.3
59.01384	4.8
65.59821	0.2
67.01893	0.6
68.99831	0.4
69.03442	0.5
70.08842	1.5
71.01390	4.3
72.99307	0.7
73.02968	1.7
79.01904	0.8
83.01395	1.5
85.02972	2.5
87.00879	0.4
89.02456	2.3
91.06876	0.2
95.01406	2.0
95.80666	0.2
97.02971	0.9
98.20670	0.3
99.00908	0.5
101.02464	4.4
105.05573	0.7
107.01414	2.6
111.00898	2.1
113.02478	2.3
119.03529	0.4
123.00906	14.2
124.01694	1.1
125.02465	16.3
127.00389	0.5
133.18396	0.3
136.98814	0.9
139.00407	3.6
139.04132	0.3
140.01183	2.8
141.01976	2.5
151.00395	12.4
153.01961	0.6
161.04547	0.6
168.00665	3.5
169.01448	24.6
170.01845	0.8
211.02402	1.7
251.56635	0.4
253.03540	0.6
257.13892	0.6
271.04596	2.4
310.96246	0.3
313.05649	2.5
327.49966	0.2
419.11954	100.0
420.12289	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	418.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12657	0.4
52.43488	0.4
52.59080	0.4
59.01378	2.5
59.40898	0.4
61.98831	100.0
63.94707	0.4
71.01380	0.7
78.44948	0.4
83.05054	0.5
88.98797	0.5
98.20724	0.7
100.16204	0.4
105.37443	0.4
105.48239	0.4
151.33827	0.4
165.09146	0.5
257.21323	0.8
264.77850	0.5
400.24857	0.5
418.27151	1.1
419.27783	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	418.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43311	0.7
50.76735	0.7
59.01380	0.9
61.98832	100.0
71.13598	1.3
86.80933	0.8
87.28201	0.9
96.96054	1.3
113.74816	0.8
125.94174	1.0
128.39857	0.9
145.59575	0.8
146.33685	0.8
180.65268	0.7
249.05405	0.9
387.61670	1.0
418.29987	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	419.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.84335	0.6
57.03433	2.3
58.00593	0.7
59.01380	14.1
61.98817	0.6
64.64051	0.5
67.01883	1.8
68.87103	0.7
69.03451	1.3
70.86123	1.3
70.86465	0.7
71.01389	19.4
72.99332	3.3
73.02922	1.6
75.00875	10.3
78.82413	0.6
80.52084	0.6
81.03470	0.8
83.01353	0.9
85.02959	20.1
85.92770	0.6
87.00888	9.3
89.02455	8.2
91.04024	0.7
95.01398	3.9
97.02939	1.3
99.00902	6.8
101.02444	2.7
103.00370	2.0
103.21696	0.5
105.01930	2.7
107.01410	8.5
111.00877	2.6
113.02467	26.8
114.02766	0.9
114.73714	0.5
115.00364	1.9
116.92882	0.6
117.01935	2.0
117.05557	1.0
119.03486	0.9
123.00911	4.1
125.02469	26.7
126.02763	1.0
129.01965	1.0
131.03505	0.9
137.02402	0.7
139.00372	1.9
140.01180	1.2
147.06999	0.6
149.04576	0.8
151.00403	3.2
157.01421	1.6
168.00612	2.2
169.01447	36.6
170.01724	1.7
173.17502	0.6
175.02431	2.0
179.07130	0.7
181.01505	0.7
181.05069	0.9
201.88608	0.6
207.05092	1.7
225.03987	1.4
243.02779	1.1
243.05066	10.9
249.06136	6.4
249.65997	0.6
267.07187	56.4
268.07401	2.7
283.05084	0.6
285.06140	5.8
286.06140	0.8
357.08130	2.0
401.07352	3.9
419.08115	100.0
420.08466	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84116	0.2
57.03448	0.5
58.47515	0.2
59.01374	1.4
61.98825	1.3
69.52203	2.1
71.01358	0.2
71.05016	0.6
75.73023	0.2
77.44316	0.2
78.95924	0.3
83.05048	0.6
85.02973	0.2
85.06604	0.3
97.06599	0.4
101.02414	0.3
121.02975	0.7
131.07182	0.2
152.99590	0.8
161.04562	0.4
223.15894	0.2
313.25504	0.3
326.48560	0.2
331.26541	0.5
337.25290	0.3
343.26352	0.4
353.28546	1.1
355.26382	1.8
356.26868	0.3
357.28021	1.1
359.25711	0.6
369.27985	0.7
371.29608	1.7
373.09695	0.3
373.31110	16.8
374.31454	1.6
387.29166	0.6
399.29089	1.7
400.29364	0.3
403.30206	0.3
405.29852	0.3
417.30121	100.0
418.30435	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3011
Annotation	(5Z,7E)-(1S,3R,24R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol
Peak:m/z	Relative Intensity
59.01376	0.9
60.24276	0.1
61.98835	1.4
63.26166	0.1
64.36243	0.2
69.58388	1.4
78.95906	1.4
83.04981	0.2
85.06557	0.6
87.04516	0.1
149.09674	0.2
152.98502	0.2
152.99612	2.8
165.12822	0.4
177.12804	0.2
183.13864	0.2
197.71826	0.2
219.17538	0.6
282.69824	0.2
285.22198	0.4
301.25302	0.5
313.21735	0.4
329.24850	0.4
339.23233	0.8
339.26996	0.5
340.23608	0.2
341.24774	0.4
355.26459	3.7
355.29999	0.2
356.26727	0.5
357.27979	41.2
358.28326	4.8
371.29544	0.6
373.26785	0.3
373.31143	3.5
374.31332	0.4
375.29062	0.4
399.29117	1.4
400.29309	0.2
401.26859	1.4
402.27377	0.3
417.30118	100.0
418.30457	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3011
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
51.01171	0.2
54.75406	0.2
56.25386	0.2
59.01376	1.3
61.34718	0.2
61.98832	1.8
64.29529	0.2
67.01469	0.2
70.87226	0.6
71.01384	0.3
85.02952	0.3
85.06586	0.7
93.54388	0.3
96.96024	0.2
171.60817	0.2
285.22433	0.3
299.23871	0.7
301.25275	0.2
341.24997	0.7
357.27972	3.2
358.28638	0.4
373.27316	0.3
373.31537	0.3
417.30157	100.0
418.30490	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	417.3376
Annotation	4beta,7alpha-dihydroxycholesterol
Peak:m/z	Relative Intensity
69.77074	0.8
69.77499	1.1
90.75086	0.3
95.43479	0.3
98.19865	0.5
107.05043	12.0
108.05370	0.5
117.60794	0.3
122.03767	2.0
135.04541	100.0
136.04832	2.7
146.03752	0.3
147.04573	0.3
148.05316	2.0
160.05258	0.4
161.06100	3.8
162.06805	0.6
175.07697	0.7
241.46799	0.3
402.31387	12.4
403.31683	1.8
415.32199	1.0
417.33737	77.1
418.34106	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17016	0.6
54.62072	0.7
55.01883	1.8
57.03447	1.9
59.01380	100.0
60.01708	0.8
61.98837	1.4
67.09019	0.6
68.56419	0.8
69.58271	5.6
71.01385	25.9
71.57832	0.7
72.99317	1.0
73.02953	8.4
75.00882	0.9
77.55809	0.6
83.01399	3.5
85.02958	12.7
87.00893	1.3
89.02443	3.6
90.75542	0.6
93.03473	4.3
95.01424	1.9
99.00898	3.4
101.02451	18.4
101.03070	1.1
102.60240	0.7
111.00883	1.0
113.02473	11.0
117.97342	2.0
121.03021	0.7
125.02502	2.1
129.01981	1.0
137.02481	11.4
143.03500	1.7
149.02493	1.6
150.03256	1.8
159.03047	3.1
161.04582	32.3
162.04868	1.1
164.04851	1.3
165.05582	3.4
165.09178	5.2
166.02773	0.8
181.05081	1.1
195.06720	0.7
205.03453	0.9
217.04672	0.7
267.12570	0.9
269.09357	0.8
309.10059	1.0
326.26776	0.7
344.08383	0.7
357.15585	21.5
357.19830	1.3
358.16211	2.1
417.09354	1.9
417.17297	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	417.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.2
57.03451	5.3
58.00592	2.4
59.01382	48.6
60.74566	0.3
61.98830	0.8
62.53794	0.2
68.99827	0.6
69.03461	1.3
69.03795	0.3
69.51130	0.6
69.51537	1.9
71.01389	100.0
72.01733	1.2
72.99316	3.8
73.02952	25.5
74.03274	0.5
75.00882	2.0
81.03477	0.6
83.01398	10.4
84.02194	0.7
85.02961	40.5
86.03337	0.6
87.00894	5.0
87.04523	2.7
89.02457	28.9
95.01399	7.2
97.02968	2.4
97.23444	0.3
99.00892	12.9
99.04536	0.5
101.02457	60.1
102.02800	1.2
109.06564	0.4
111.00916	1.8
113.02469	40.6
114.02811	1.0
115.04128	0.3
119.03524	12.5
121.06581	0.3
123.00860	0.3
123.04578	0.3
123.08099	0.3
125.02473	2.8
129.01953	2.1
131.03523	1.5
139.00487	0.5
143.03514	5.4
149.04614	1.0
159.03011	9.0
161.04581	52.1
162.04897	1.3
165.04063	0.8
165.05450	0.4
165.12852	0.7
166.99751	0.3
179.05643	3.2
185.02527	0.4
190.02888	0.3
192.00697	0.5
205.03505	2.0
207.03044	0.5
207.13985	0.8
209.11842	0.8
225.15105	0.5
227.03650	0.4
228.04137	0.3
239.07170	0.3
243.03038	0.5
255.02911	0.4
255.15961	0.4
255.17184	0.3
255.19708	2.9
256.03781	0.5
269.13919	5.9
283.02563	0.8
285.00458	0.5
285.04117	0.4
297.20779	0.8
311.02155	0.4
313.07364	0.9
323.05725	0.5
339.22000	0.3
341.06641	2.6
343.04483	0.6
343.12128	0.3
368.05380	0.4
371.04095	0.4
373.09305	0.4
383.08136	0.4
385.05914	0.5
400.07950	1.3
417.08743	2.3
417.25266	37.9
418.08850	0.4
418.25513	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	417.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44669	0.1
55.01883	0.5
55.92958	0.1
57.03443	1.6
58.00583	0.3
59.01381	8.7
60.01717	0.1
61.98840	0.8
69.03464	0.3
69.44447	1.2
71.01387	10.2
72.99323	0.5
73.02571	0.2
73.02952	1.9
75.00887	0.2
79.63078	0.1
83.01395	0.8
83.05045	0.2
85.02959	4.5
87.00900	0.5
89.01895	0.2
89.02455	5.2
95.01403	0.9
97.02949	0.3
99.00893	0.9
101.02456	5.9
102.02781	0.2
108.02186	0.1
111.00872	0.2
113.01672	0.2
113.02462	3.9
116.61771	0.1
119.03513	1.8
125.02477	0.3
131.03543	0.2
136.01697	0.2
137.02444	0.1
143.03503	0.5
151.04097	0.1
159.02985	0.7
161.04579	4.8
162.04941	0.1
167.06155	0.3
179.05609	0.7
179.14420	5.7
180.14734	0.3
181.05064	0.2
181.12338	0.2
189.01894	0.2
195.13968	0.3
197.15479	0.8
203.14418	0.9
205.03551	0.2
212.36954	0.1
219.17532	2.7
220.17964	0.1
221.15471	15.3
222.15768	0.9
237.18602	1.8
238.18770	0.1
239.16508	0.9
240.16554	0.1
245.00868	0.1
255.19643	100.0
256.19980	6.6
256.22733	0.3
261.00296	0.2
288.99881	0.2
295.10898	0.1
301.03302	0.1
313.07156	0.2
330.12567	0.2
373.08749	0.1
374.11475	0.4
408.81570	0.1
417.08478	0.5
417.24902	16.2
418.25253	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	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74687	0.4
55.01870	1.1
57.03445	1.4
57.15314	0.5
58.00587	1.1
59.01378	100.0
60.01711	0.8
61.98833	2.0
66.88390	0.4
68.99864	0.5
69.45029	5.3
71.01385	31.1
72.99318	1.6
73.02945	4.6
77.46873	0.5
79.10407	0.6
81.03475	0.7
83.01409	2.4
85.02956	8.8
87.00885	2.3
89.02451	24.3
93.03521	0.6
95.01405	2.9
95.01919	0.5
97.02966	1.3
99.00891	2.0
99.04499	0.5
101.02451	19.3
107.01364	0.7
108.02181	1.0
108.43148	0.5
111.00896	1.2
111.04556	0.6
113.02461	12.2
119.03516	9.5
120.99674	1.1
123.00903	6.6
123.04549	2.7
124.01704	0.5
125.02464	7.4
127.00476	0.6
131.03552	1.4
139.00397	1.9
139.04030	1.0
140.01186	1.3
141.01970	0.9
143.03540	3.5
149.04585	0.9
151.00372	5.1
152.01144	0.6
153.01791	0.6
159.03014	1.3
161.04576	20.0
162.04887	0.7
166.05119	6.1
167.03487	0.9
168.00679	2.0
168.04910	1.0
169.01443	9.0
177.09239	4.1
178.09557	0.6
179.05623	7.1
181.05005	0.6
195.10315	2.4
223.92975	0.6
227.03568	0.6
313.05597	0.7
357.15558	26.5
358.15991	2.3
417.13889	47.2
418.14148	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	417.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03442	0.7
59.01379	3.8
61.98833	0.3
65.00319	0.4
67.01896	0.8
68.99819	0.3
69.03469	0.7
70.21792	1.1
71.01385	4.9
72.45055	0.2
72.99312	1.0
73.02946	2.2
79.01895	1.0
81.03465	0.4
83.01389	1.8
85.02957	3.2
87.00883	0.8
89.02459	0.7
95.01387	2.4
97.02942	1.1
99.00899	0.7
101.02451	4.4
107.01393	3.5
109.02974	0.5
110.00096	0.3
111.00883	2.5
111.31334	0.2
113.02453	2.1
119.03568	0.3
121.02954	1.4
123.00900	15.6
123.04539	1.0
124.01739	2.5
125.02459	17.3
126.02781	0.4
127.00402	1.1
135.04558	0.7
136.98822	1.5
137.02460	0.7
139.00386	4.2
140.01178	3.3
141.01979	2.2
141.03000	0.3
149.99582	1.2
151.00385	11.9
151.04080	0.4
152.00822	0.8
153.01959	1.0
154.99850	0.5
159.03084	0.3
161.04562	1.1
163.03952	0.4
166.06374	4.8
167.03510	2.9
167.99197	0.3
168.00644	6.9
168.03775	0.3
169.01433	18.1
170.01790	0.9
179.03580	0.3
181.05099	0.5
181.08707	4.4
182.09065	0.2
193.01419	0.2
209.04533	0.3
211.02510	0.5
263.88257	0.2
271.04514	0.4
313.05728	1.0
343.11182	0.2
352.64575	0.2
378.30066	0.2
417.14072	100.0
418.14395	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	417.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.03453	0.7
58.00593	4.1
58.84264	0.7
59.01379	75.7
61.98816	1.3
68.99801	0.8
69.48891	6.4
71.01385	55.9
72.01743	1.1
72.99305	3.0
73.02950	10.9
74.59589	0.6
75.00881	1.1
81.03490	0.7
83.01389	2.5
85.02960	9.3
87.00877	3.3
88.98814	0.9
89.02451	100.0
89.25640	0.7
90.02809	1.2
93.03469	6.4
95.01403	1.3
97.02979	1.2
99.00872	7.8
101.02454	46.0
102.02766	1.1
103.04036	1.1
107.01405	1.6
111.00904	1.5
113.02475	12.3
119.03513	8.8
121.03028	1.4
123.00912	6.4
123.04504	1.9
124.01701	1.1
125.02458	9.6
131.03519	24.1
135.06673	1.0
135.51074	0.8
137.02460	15.7
138.02959	1.2
139.00404	2.4
140.01244	1.4
143.03531	2.3
149.04572	78.7
150.04939	2.3
151.00383	5.1
151.04060	1.0
151.07785	0.9
153.02083	0.9
161.04575	4.2
167.03532	1.5
168.00728	2.9
168.61867	0.6
169.01437	10.7
170.01901	0.9
179.03571	2.2
179.05701	1.0
181.08856	0.8
189.12787	0.7
191.05611	16.7
192.05997	0.8
194.09509	0.9
211.02480	8.8
221.06767	2.7
237.11380	1.4
239.05511	0.9
251.07874	2.4
271.04593	11.4
293.08994	2.5
311.09857	4.7
331.06747	1.3
417.14355	46.0
418.14825	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	417.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
57.03457	0.8
59.01384	17.2
61.98832	1.1
65.23722	0.5
69.03446	0.9
70.72618	1.3
70.72984	1.0
70.80239	0.5
71.01389	12.9
72.99317	1.2
73.02950	2.4
75.00854	0.6
81.03448	0.8
83.01392	1.4
85.02952	4.1
85.78831	0.5
87.04552	2.5
89.02452	9.8
93.03471	37.3
94.03844	0.9
95.01407	1.4
96.99339	0.8
98.20602	0.5
99.00877	1.3
101.02457	9.1
103.03997	1.2
111.00914	0.5
113.02470	5.3
117.05592	1.7
119.03517	1.9
121.02990	1.8
123.00915	2.5
123.04511	2.1
125.02474	4.0
131.03517	2.2
135.06647	3.9
136.01656	2.9
137.02469	100.0
138.02788	3.0
140.54208	0.7
145.31351	0.5
149.04530	3.7
151.00389	1.0
151.03992	1.1
163.04037	1.0
167.03630	1.1
168.00742	0.8
169.01472	5.3
179.03525	9.6
180.03839	0.9
191.05650	2.1
209.04575	1.1
211.02510	2.0
221.04623	1.2
231.33179	0.5
239.05612	5.0
242.83730	0.6
249.06140	0.6
265.09250	1.2
271.04623	2.0
281.06613	2.0
299.07764	0.7
411.24777	0.5
417.14111	99.4
418.14456	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	417.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.2
57.03436	1.3
58.00594	1.4
59.01378	51.2
61.32632	1.0
61.98833	3.2
67.01870	1.7
68.99818	1.2
69.03449	1.5
69.48398	1.7
69.48813	7.5
71.01390	40.9
72.01704	1.2
72.99290	3.0
73.02946	4.5
79.01896	1.0
81.03440	1.0
83.01392	4.3
85.02949	11.6
87.00883	2.3
87.04504	1.0
88.98849	0.9
89.02454	42.1
93.03468	30.4
95.01392	4.3
97.02959	3.2
99.00891	2.3
101.02455	25.0
103.03995	1.6
107.01386	5.4
111.00901	3.1
113.02463	13.1
117.05537	1.2
119.03527	10.1
121.02971	26.5
123.00900	16.5
123.04540	40.8
124.01700	2.8
124.04895	1.2
125.02466	37.2
127.00388	1.1
131.03523	8.7
135.04532	1.4
135.06657	2.5
136.01712	1.7
136.98863	1.3
137.02469	78.8
138.02852	2.3
139.00391	7.0
139.03961	1.5
140.01176	4.6
141.01907	2.8
143.03505	2.1
149.04559	11.5
151.00389	12.8
151.03967	2.7
161.04541	1.8
167.03513	2.5
168.00662	10.0
168.27928	1.1
169.01440	43.3
170.01804	1.2
179.03487	5.3
179.05827	1.3
181.04953	0.9
187.35869	1.0
191.05624	9.3
192.05920	4.8
197.04547	4.0
209.04637	1.0
211.02484	28.9
212.02812	1.3
228.79880	1.0
233.06667	1.4
239.05659	5.3
241.03604	1.7
255.08545	1.7
265.09229	7.0
271.04581	42.9
272.04758	2.7
281.06491	1.2
293.08731	7.2
313.05640	2.0
331.06696	3.5
354.08997	2.7
383.04138	1.0
399.09293	3.8
417.10178	100.0
417.14230	75.3
418.09555	10.9
418.14557	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	417.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.7
61.98812	2.6
67.01908	0.8
68.16489	0.8
70.04858	4.5
71.01388	4.9
72.99306	1.5
73.02955	2.0
85.02963	1.9
87.00888	0.9
89.02440	2.1
95.01403	0.9
101.02465	2.6
103.91943	0.8
108.02192	1.8
109.03008	0.8
111.00930	0.8
113.02449	1.7
113.11578	0.7
117.03418	1.0
121.02953	0.9
123.00892	2.2
123.04561	0.8
125.02470	2.7
132.33006	0.7
133.98570	0.7
135.00851	0.7
136.01682	1.2
137.02460	2.7
139.00148	0.7
145.03008	1.9
148.01637	2.0
149.02483	1.1
151.00394	4.1
151.04092	1.0
158.03676	0.9
160.01660	1.1
161.02426	1.6
161.04610	1.1
163.00346	2.1
165.01920	1.0
166.02728	5.8
167.03453	1.3
168.04936	1.3
176.01201	5.7
177.01889	3.0
181.05086	10.4
187.04071	1.0
188.01161	1.2
190.02629	1.2
190.99915	0.8
192.00668	1.5
193.01360	1.0
195.08104	0.9
197.06107	0.9
198.03247	0.8
199.04047	1.7
202.99821	1.4
204.00648	11.9
205.01311	2.1
209.11839	3.6
211.04031	2.0
213.01892	2.0
213.05411	1.0
213.11807	0.9
214.02744	1.5
214.99902	1.0
216.00659	1.6
217.01488	1.1
218.99396	0.9
223.07631	2.1
225.05591	1.0
226.02693	1.5
227.03510	25.9
227.06982	1.5
227.12959	1.1
228.04028	1.8
229.01407	1.8
229.05055	1.3
230.02263	0.9
230.99321	8.8
232.00113	10.9
233.00740	2.3
237.05565	1.9
238.06290	1.1
239.03522	1.2
239.07173	2.2
240.04317	1.4
241.01349	1.1
241.04977	0.8
242.02194	3.7
242.05971	0.9
243.03041	1.4
244.00145	1.7
246.98849	1.7
247.99463	1.1
251.07152	1.5
253.05104	1.4
255.02998	33.4
255.06779	1.7
256.03687	7.5
257.00900	1.0
257.04446	1.7
257.08188	3.4
258.01758	2.6
258.98840	3.2
259.05951	0.8
259.99628	5.6
261.00269	2.8
267.03027	1.8
267.06592	3.7
269.00937	1.6
269.04446	1.1
269.08154	2.4
271.02600	1.8
271.06293	1.1
279.06894	1.1
280.03851	1.5
281.01065	1.0
281.04343	2.3
282.01663	1.1
283.02429	3.4
283.06107	4.8
284.03265	31.2
284.06412	1.4
285.00461	2.9
285.03949	9.8
285.07639	4.6
286.01086	1.9
286.98065	1.0
287.99225	4.0
295.02914	1.0
295.06070	3.7
297.04437	1.2
297.07916	2.5
299.05640	1.1
299.99051	1.0
300.99948	1.7
301.07144	1.4
306.61404	0.9
307.02396	2.1
310.01263	1.2
311.05737	1.8
312.02887	1.6
312.06253	1.5
312.99942	16.6
313.03296	0.6
313.03918	0.6
313.07162	10.8
314.00336	1.7
320.01672	1.9
323.01950	4.4
323.05634	5.3
327.05194	2.4
329.06760	2.8
339.05090	18.6
340.05508	1.3
341.06644	6.9
342.07010	1.1
355.08136	1.2
357.06198	6.6
357.15469	0.8
367.04855	1.1
385.05661	100.0
386.05972	11.4
387.10754	6.9
402.13290	5.7
417.08282	47.0
417.15567	9.0
417.20901	2.0
418.08301	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	415.3216
Annotation	EnP(5,8)
Peak:m/z	Relative Intensity
53.55768	0.2
59.01371	0.8
61.98840	0.4
71.01387	0.3
71.74249	0.3
78.95926	0.3
106.47215	0.2
138.16821	0.2
152.99605	0.9
167.15541	0.2
212.72296	0.2
279.23303	3.0
280.23679	0.3
325.25430	0.4
385.27335	0.3
397.31049	0.8
415.32175	100.0
416.32510	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	416.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.1
59.01380	25.0
61.98832	22.7
67.01900	3.0
69.03452	1.3
69.52808	3.7
69.53233	4.9
71.01386	18.7
72.99330	1.6
73.02957	3.9
75.00877	1.1
81.03456	1.2
83.01423	2.7
83.05042	1.0
85.02951	12.2
87.00902	1.3
89.02458	24.5
93.03471	38.1
94.03837	1.0
94.14526	0.9
94.20909	0.9
95.01372	1.2
97.02943	0.9
98.20579	1.4
99.00905	3.1
100.55032	1.0
101.02453	12.1
102.27094	0.9
103.04089	1.3
107.01428	1.4
107.05084	1.3
108.02155	1.2
109.02998	1.6
111.00901	2.0
111.04530	4.8
113.02451	4.8
119.03502	3.0
121.02956	5.8
122.03324	3.5
123.00935	2.8
123.04524	2.0
125.02457	6.2
127.04052	1.7
127.57721	0.9
131.03540	5.1
133.02988	1.5
134.03770	2.8
135.04544	61.9
136.01634	1.1
136.04904	2.0
136.83751	0.9
137.02463	38.7
139.00435	1.3
140.01111	1.3
141.11769	1.0
149.04578	14.4
151.00406	2.9
151.04028	1.3
152.01176	1.5
153.01886	1.8
155.03496	5.2
161.02457	4.0
161.04559	1.1
165.35237	1.0
167.03568	2.5
168.00691	1.2
169.01448	6.7
171.03050	1.2
173.04572	100.0
174.04892	3.0
179.03514	72.0
180.03848	3.5
181.08733	1.3
191.05634	45.7
192.06015	0.9
202.69449	1.0
211.02472	3.2
233.06657	1.1
239.05615	2.6
251.07887	1.1
263.98062	0.9
265.09360	2.8
267.06982	0.9
271.04617	4.1
281.06680	1.3
353.08783	79.9
354.09113	5.7
357.12955	0.9
372.08154	1.1
385.98175	1.1
416.07355	1.9
416.12808	6.3
417.14401	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04231	0.1
59.01363	0.4
60.66616	0.1
61.98842	0.7
64.33778	0.1
71.74744	0.1
73.50507	0.1
75.99895	0.1
98.19808	0.2
99.23504	0.1
104.97872	0.1
139.80116	0.1
159.31985	0.1
204.17696	0.1
279.26999	1.0
280.27509	0.1
304.05270	0.1
323.25922	0.4
332.86328	0.1
341.26944	1.0
415.32178	100.0
416.32529	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	415.3218
Annotation	Homaxisterol D1
Peak:m/z	Relative Intensity
59.01372	0.2
61.71873	0.1
61.98824	0.1
66.75558	0.1
70.60803	0.3
70.61156	0.2
71.01407	0.1
79.97465	0.1
127.07672	1.2
151.93312	0.1
210.66241	0.1
239.94240	0.1
290.16452	0.1
349.15067	0.1
355.26520	0.2
371.29446	0.2
385.27393	1.1
415.32190	100.0
416.32532	11.5
423.57809	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	415.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13062	0.1
55.28191	0.1
59.01369	0.5
61.98825	0.3
71.05038	0.2
71.67081	0.2
117.99581	0.1
163.91057	0.1
175.06151	0.1
216.90254	0.1
272.76712	0.1
279.23218	0.8
415.32162	100.0
416.32507	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	415.1611
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01880	1.7
56.50193	0.3
57.03447	2.7
58.00594	4.8
59.01379	93.2
60.01710	1.1
61.98828	1.4
68.80578	0.3
69.03453	1.0
69.55844	1.9
69.56250	0.9
69.62656	0.3
71.01385	76.6
72.01723	1.2
72.99309	5.4
73.02951	6.9
75.00883	0.6
81.03464	0.4
83.01396	4.6
85.02959	13.9
86.00052	0.3
87.00884	9.1
89.02454	100.0
90.02788	1.2
93.03480	1.3
95.01383	3.3
97.02970	1.1
98.20683	0.6
99.00887	5.4
101.02457	42.8
102.02803	0.5
108.02264	0.4
109.02971	0.9
111.00890	0.7
112.32484	0.3
113.02463	18.5
114.01544	0.3
117.03500	0.6
117.05578	0.4
119.03519	15.3
120.99663	0.8
121.02971	30.0
122.03310	0.8
123.00911	0.4
123.04549	2.5
125.02465	3.3
128.63014	0.3
129.01982	2.7
131.03522	55.7
132.03880	1.4
135.04529	2.6
136.01646	0.4
137.02478	3.1
143.03526	3.6
145.02950	2.1
146.03259	0.9
149.04576	33.5
150.04919	0.9
151.03998	0.7
153.02074	0.4
153.05605	2.9
159.03049	0.4
161.02554	0.4
161.04584	7.0
162.04945	0.3
163.00375	0.4
163.04063	0.5
166.06389	0.9
169.01407	0.9
173.04590	0.7
177.01938	0.9
179.03500	1.1
179.05630	9.1
181.08690	1.6
189.01952	0.3
191.05632	32.1
192.05983	0.9
193.01503	0.6
195.06714	0.4
195.13284	0.3
203.38609	0.4
205.01425	0.5
211.04073	0.4
221.06511	0.3
224.17499	0.3
227.03535	2.2
228.04192	0.5
229.05226	0.5
232.00113	0.4
233.00923	1.6
239.05635	0.9
241.05145	0.9
243.02881	0.4
245.00851	1.8
251.07661	0.7
252.04178	0.4
253.01653	0.8
255.02992	1.2
255.06775	0.4
257.04532	0.5
268.03577	0.3
269.00958	0.7
269.04587	1.0
271.02603	0.9
271.06012	0.3
273.03900	0.4
274.01050	0.4
281.00958	0.8
283.02463	0.5
283.05975	0.8
283.11862	3.3
284.07010	1.1
285.00421	1.2
293.09250	0.4
293.12381	0.6
295.02658	0.4
297.00650	0.5
297.04074	0.7
297.12329	0.4
298.01331	0.6
299.02307	1.7
299.05496	0.6
299.09381	0.9
301.03531	1.6
302.04156	0.4
309.07507	0.5
323.99103	0.5
325.03601	0.9
325.07443	0.6
327.05225	0.6
327.08591	1.5
327.14401	1.9
353.03064	1.3
353.06894	0.9
362.47308	0.4
371.07727	7.5
372.08304	0.7
384.12390	0.3
397.05582	3.3
412.40683	0.4
415.06873	25.3
415.16214	14.6
416.07196	2.4
416.16031	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	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03441	0.8
58.00595	3.0
59.01378	71.8
60.01704	0.6
61.02935	0.3
61.98831	0.5
67.01876	0.4
68.73647	0.2
69.03453	1.0
69.35844	1.4
69.36276	1.4
71.01385	58.6
71.61053	0.2
72.01743	0.7
72.99310	3.4
73.02950	17.2
75.00893	0.6
83.01402	1.9
85.02965	7.0
87.00874	1.7
89.02451	100.0
90.02794	1.9
93.03477	0.5
95.01392	1.8
97.02965	1.4
99.00890	31.3
99.04520	0.6
100.01224	0.6
101.02455	36.6
102.02746	0.5
104.35793	0.3
109.02983	0.4
113.02464	11.7
115.03996	0.7
119.03517	8.6
120.99736	0.2
121.02953	1.0
123.00914	0.3
123.04571	0.4
125.02463	6.0
131.03519	18.0
132.03819	0.4
135.04535	1.1
137.02463	0.5
143.03516	1.9
145.02969	0.9
146.03349	0.5
149.04570	61.1
150.04930	1.6
153.01903	0.4
153.05586	0.4
161.04587	3.7
163.04082	0.3
167.03548	1.0
169.01411	0.8
176.59659	0.4
179.03981	0.3
179.05618	3.3
191.05623	14.8
192.06023	0.4
194.09485	0.4
197.08218	0.3
209.04620	0.3
209.11836	0.5
221.06604	2.1
227.03394	0.3
233.06747	0.5
245.00969	0.3
251.07704	4.7
283.11938	1.0
293.08853	1.0
301.07098	0.3
311.09949	0.4
327.08652	0.4
328.11789	0.3
340.12833	0.3
343.13864	0.7
354.13364	0.3
366.23862	0.3
371.07669	1.6
397.06027	0.3
397.15036	3.3
398.15198	0.5
415.07364	4.1
415.16113	13.9
416.07117	0.5
416.16422	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	415.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	0.6
59.01376	4.5
61.98841	3.3
68.99818	0.9
69.03443	0.6
69.38882	3.4
69.39307	2.6
71.01391	5.8
71.05025	1.6
72.99335	0.6
73.02953	6.2
74.99125	0.6
81.03473	1.6
83.01396	0.9
85.02969	4.9
89.02456	2.2
93.03487	2.5
95.01395	3.7
99.00918	0.8
101.02464	2.5
108.02193	61.3
109.02982	50.7
110.03314	1.4
111.00921	0.6
113.02486	2.5
117.05588	8.4
117.06299	0.8
121.02978	2.3
123.00912	3.0
123.04544	1.3
125.02461	1.5
135.00894	0.6
135.04552	1.1
136.01700	1.3
137.02499	5.9
151.00360	0.5
151.04016	1.6
152.01180	61.4
153.01967	26.4
154.02275	1.0
157.41293	0.6
161.04617	1.5
163.04005	2.8
165.01985	1.2
165.05554	1.1
166.84297	0.4
173.04784	0.5
177.01903	0.7
179.03551	3.7
179.76889	0.5
181.05130	0.7
191.05725	0.7
194.09441	2.6
195.03020	0.9
201.05408	0.6
209.11858	2.4
225.04021	0.6
227.03552	2.2
233.00911	0.8
236.98643	0.7
237.99400	0.6
239.05643	1.7
245.00861	1.5
255.02998	0.7
257.04733	0.5
269.01007	0.8
269.04480	1.0
269.10300	1.0
271.02408	0.6
273.03976	0.7
281.00720	0.6
283.02386	1.1
283.06055	0.7
285.00516	0.9
295.10608	1.0
299.02200	1.3
301.03549	1.4
315.07190	2.1
325.03668	0.9
325.07300	1.0
327.08762	2.5
328.05301	0.6
328.09106	0.7
353.06677	6.6
371.08328	4.0
371.09171	4.0
397.05588	1.8
397.11166	1.0
398.06094	0.7
415.06711	23.8
415.12463	100.0
416.07083	2.2
416.12845	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27727	0.4
55.01877	3.5
59.01379	1.8
61.98829	2.2
66.48828	0.4
71.01392	2.2
83.00896	0.8
83.01395	14.7
95.01395	0.7
108.02187	3.8
110.00108	0.5
110.05013	0.4
111.82278	0.4
121.02989	2.5
123.04546	1.2
134.03828	0.7
136.01682	100.0
137.02087	2.0
143.05058	0.5
145.03009	1.2
145.06613	1.5
146.03757	0.6
147.00911	1.4
147.04547	0.8
148.01671	0.6
151.04031	96.4
152.04384	3.4
153.05632	0.8
158.03767	1.5
159.04515	4.2
160.01683	1.6
160.05313	14.5
161.02477	1.3
161.06114	0.8
162.03270	1.7
163.04050	0.6
173.02493	1.7
173.06116	2.6
174.06970	0.5
175.04048	6.9
175.07649	6.6
177.05580	0.5
179.03543	0.6
188.04857	0.5
190.02719	4.4
190.06348	4.9
191.03336	0.6
191.06947	0.6
193.05000	0.5
203.03624	0.5
204.04272	2.8
205.05081	27.7
205.08701	1.5
206.05428	0.8
209.08195	1.2
218.05890	2.9
219.06627	8.0
220.07426	29.0
221.07718	1.5
235.09770	15.9
236.10033	1.1
241.31119	0.5
249.04031	4.0
252.06429	0.6
264.06384	3.8
279.08762	13.8
279.11737	1.0
280.09183	0.7
293.04501	0.6
295.06305	0.5
308.06879	0.5
311.09329	0.5
323.09445	0.7
325.10779	0.4
355.11853	0.7
356.12567	2.4
371.15082	5.4
372.15277	0.6
415.13995	23.0
415.18768	1.2
415.69080	0.7
416.14374	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	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22888	0.5
55.35877	0.5
57.03442	1.2
59.01125	0.7
59.01382	10.1
59.37918	0.5
61.98545	0.8
61.98835	8.1
67.01902	0.7
69.03449	0.6
69.14612	0.6
69.64136	4.4
71.01389	8.7
71.05016	0.7
72.99313	1.2
73.02939	2.5
79.01892	0.7
81.03445	1.0
81.22201	0.6
82.83119	0.5
83.01389	1.7
83.05008	0.7
85.02957	6.4
87.00871	1.2
89.02470	4.0
93.03456	3.8
93.36283	0.7
95.01395	2.9
97.02959	1.2
98.20703	0.7
99.00883	1.3
101.02454	5.9
105.67978	0.6
107.01374	1.9
108.01437	0.8
108.02192	31.0
109.02976	34.7
110.03291	1.1
111.00868	1.8
113.02442	3.9
115.03967	0.8
116.37756	0.6
117.05561	1.5
121.02976	4.0
123.00070	0.9
123.00896	9.5
124.01689	1.0
125.02465	8.8
127.00368	2.6
133.26729	0.6
135.04515	1.2
136.01640	1.4
136.98880	1.0
137.02470	9.8
137.06088	0.6
139.00383	1.6
139.65015	0.7
140.01140	2.5
141.01945	0.9
148.01672	1.4
151.00409	4.9
151.04008	1.4
152.01176	31.2
153.01965	20.9
153.05554	1.2
161.04501	1.8
161.05812	0.7
163.03984	2.8
165.01866	1.2
165.05620	0.6
167.03505	1.4
168.00612	2.2
169.01456	11.5
175.03987	0.6
179.03491	5.1
179.10793	2.1
181.05081	2.0
209.04584	1.4
211.02524	0.8
227.03337	1.2
235.13445	0.8
239.05675	2.9
245.00804	1.4
251.11285	1.0
269.04376	0.8
273.03943	0.7
295.10641	2.7
299.07816	0.7
301.03384	1.1
315.07147	2.0
327.08813	1.4
353.02570	1.0
353.06491	1.8
353.11533	0.6
355.10156	2.1
357.07993	2.1
369.66977	0.6
371.07571	4.9
372.08353	0.7
397.05917	1.4
397.11298	2.0
415.06647	15.9
415.12311	100.0
416.06961	1.4
416.12524	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	415.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03445	2.8
59.01088	1.0
59.01380	11.9
59.74530	0.7
61.98836	9.3
63.52407	0.7
67.01882	2.8
67.74520	0.9
68.99816	3.9
69.03445	2.1
69.54263	6.8
71.01386	18.9
72.99316	1.3
73.02962	2.1
79.98585	0.7
83.01379	2.5
85.02444	1.1
85.02960	19.6
86.00099	0.9
87.00886	6.8
89.02443	2.6
91.04028	1.5
93.03468	19.7
95.01411	5.5
95.05009	0.9
97.02961	1.0
99.04541	0.9
101.02445	2.3
103.00350	0.8
106.04281	4.8
107.04383	1.5
107.05051	24.5
108.02190	10.2
108.05386	1.0
109.02979	6.7
109.99112	0.7
111.00883	3.5
111.04533	1.3
113.02460	21.0
115.00391	3.3
121.02968	26.7
123.00869	2.4
123.04548	8.8
125.02446	1.8
129.01945	2.4
133.02968	16.8
135.04550	14.3
137.02449	3.2
139.00374	2.2
151.04022	43.2
152.01199	7.7
152.04358	1.6
153.01906	2.3
155.03494	1.3
157.01437	1.0
169.01399	1.8
173.04572	25.2
179.03514	15.6
186.24036	0.9
189.03799	0.8
191.03543	1.3
191.05630	10.6
193.03963	0.8
205.07127	4.8
209.04642	0.7
225.07722	1.6
227.03508	0.9
231.05058	2.8
249.06151	9.6
263.07715	15.3
264.07950	1.0
267.29404	0.8
281.08783	23.1
282.08990	1.2
283.06042	1.0
301.03430	2.1
310.04877	0.9
339.10776	1.1
353.08881	17.7
371.07614	5.6
371.11774	1.1
383.09769	13.1
384.10291	1.8
415.06857	9.0
415.12393	100.0
416.07504	1.5
416.12744	12.0
431.55362	0.8
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
51.62994	0.5
59.01386	3.6
61.61049	0.5
61.98835	6.0
65.00323	1.5
71.01396	0.6
78.95932	0.5
87.00893	0.5
87.41220	0.5
89.00302	0.5
91.22398	0.5
96.13432	0.5
98.20613	1.2
101.02519	0.6
121.02975	0.5
154.04195	0.7
155.08696	0.9
166.04228	0.7
167.05002	0.8
167.08627	1.0
180.05653	0.5
182.03668	2.3
183.04550	0.7
183.08173	3.7
193.06601	0.5
194.03702	1.7
195.04486	1.1
195.08154	2.8
196.05292	0.9
198.03284	0.5
199.07610	0.9
207.08142	1.0
208.05316	0.9
209.02480	0.6
210.03239	2.0
211.04135	0.7
211.07675	6.0
213.01875	0.6
222.03259	4.0
223.04099	0.7
223.07616	3.3
224.01115	1.4
224.04758	1.2
227.07088	0.9
229.08742	1.8
235.03987	0.8
235.07722	0.8
236.04781	0.6
237.01903	0.5
237.05452	0.7
238.02765	2.6
239.03407	1.1
239.07161	8.5
240.07410	1.0
242.99425	0.9
250.02711	2.5
251.03329	1.2
251.07178	5.9
252.00636	2.0
252.04167	0.9
255.06671	0.6
263.03424	1.0
264.04303	1.0
265.01364	1.0
266.02243	6.1
267.02762	0.8
267.06647	6.8
270.98923	1.0
278.02243	0.9
279.03015	0.5
279.06619	2.6
280.00137	1.3
280.03665	1.1
281.00891	0.9
281.04501	0.6
293.00882	0.9
294.01935	2.5
294.04797	0.6
295.06149	5.8
295.99466	0.6
296.06604	0.9
298.98380	0.6
307.06143	0.8
307.99625	2.2
309.03879	0.7
311.01947	1.9
322.01105	1.4
323.05621	25.8
324.06082	2.4
327.08502	0.5
340.02191	0.8
340.05853	3.9
351.05109	100.0
352.05457	10.4
355.08273	1.4
371.07797	0.6
372.08429	1.8
383.07718	36.3
384.08109	3.8
415.06018	1.5
415.10971	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	415.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03453	1.8
58.00602	5.5
59.01380	96.7
60.01722	0.6
61.98833	2.4
67.73254	0.4
69.03465	0.9
70.11475	1.7
71.01387	73.2
72.01732	1.1
72.99316	4.7
73.02952	5.9
73.12115	0.3
74.81478	0.3
75.00855	0.6
76.88061	0.3
77.98962	0.3
81.03468	0.6
83.01395	3.9
85.02959	14.2
87.00890	4.6
89.02456	100.0
90.02779	1.1
93.03465	3.0
95.01398	2.7
97.02976	1.0
99.00892	6.1
99.04526	0.4
101.02458	42.1
102.02810	0.7
108.02198	0.8
109.02962	1.5
111.00908	0.4
113.02467	19.1
114.02827	0.4
117.03490	0.7
117.83259	0.4
119.03522	15.9
119.04981	0.8
120.99664	0.6
121.02976	40.5
122.03327	1.2
123.00901	0.4
123.04534	1.1
124.01661	0.7
125.02467	3.6
129.01932	2.1
131.03528	55.8
132.03860	1.7
133.02956	0.5
135.04575	2.5
137.02472	6.1
143.03519	3.4
145.02980	2.2
145.05066	0.5
146.03334	1.0
147.03563	0.5
149.04587	27.5
149.08174	0.5
150.04956	1.0
151.04022	0.4
152.01141	0.4
153.01994	0.8
153.05630	1.0
161.02458	0.4
161.04578	4.4
163.04074	0.9
163.11330	0.8
167.03516	0.9
169.01460	0.4
173.04541	1.4
176.01149	0.4
177.02019	1.6
179.03430	0.6
179.05638	8.8
181.08743	0.9
183.04611	0.4
189.02023	0.8
190.02815	0.5
191.05640	30.6
192.05978	1.5
193.01472	1.3
199.03989	0.4
204.00664	0.6
205.01457	0.8
211.03949	0.6
215.03540	0.5
217.01418	0.9
225.05627	0.6
226.02773	0.7
227.03531	6.7
228.04211	1.1
229.01488	0.7
229.05104	1.5
230.02124	0.4
230.99429	1.2
232.00140	1.8
233.00893	4.9
237.01668	0.4
239.03514	0.5
240.04338	0.7
241.05138	1.7
242.02222	0.6
242.05467	0.6
243.03038	0.7
243.06599	0.7
245.00873	6.6
246.01590	0.8
251.07813	0.7
251.46542	0.4
253.01248	0.5
253.05109	0.7
254.02119	0.8
255.02979	3.1
255.06534	2.3
256.03763	1.6
256.07333	0.7
257.00955	0.6
257.04523	1.8
258.01624	0.8
267.02939	0.4
267.06793	0.5
269.01016	2.7
269.04373	3.0
270.01691	0.4
270.05185	1.0
271.02481	3.0
271.06079	0.8
272.02930	0.6
273.00421	0.7
273.03903	0.5
280.03528	0.4
281.00934	1.2
281.04169	0.4
281.08380	0.6
282.01511	0.8
283.02518	1.8
283.06091	3.0
283.11914	0.9
283.99539	0.5
284.03625	0.6
284.06851	2.6
285.00369	4.7
293.12280	0.8
295.02460	1.4
295.10284	0.5
296.03308	0.7
297.00479	0.9
297.04028	1.2
297.07581	0.5
298.01245	1.4
298.04849	1.0
299.01962	5.3
299.05630	2.3
299.09247	2.5
300.02618	0.8
300.06107	0.5
301.03540	4.7
302.04227	0.7
309.07718	0.6
311.01944	1.2
311.05557	0.7
312.02692	0.9
313.03500	1.2
322.58231	0.4
323.99265	0.8
324.02762	0.8
324.99973	0.6
325.03519	3.1
325.07202	1.0
326.03976	0.5
327.05099	2.6
327.08759	4.0
327.14481	0.7
328.05710	1.2
343.08264	1.5
353.03009	4.5
353.06772	2.6
354.03311	0.7
354.07230	0.6
371.07727	19.9
372.07968	2.0
383.12189	0.4
388.79364	0.4
397.05652	9.7
398.06049	0.9
415.06747	82.3
415.15903	8.7
416.07095	9.9
416.15704	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47847	0.5
52.10809	0.6
55.10291	0.5
59.01383	5.2
60.04548	0.5
61.98832	1.1
69.82697	1.6
69.83113	1.7
71.01382	3.5
71.31744	0.5
72.99328	0.5
73.90477	0.5
79.35287	0.6
83.01431	0.6
89.02460	2.5
91.86572	0.6
93.03490	0.8
95.20039	0.5
100.55296	0.5
101.02467	1.1
107.01389	1.5
107.71357	0.5
111.00885	0.7
113.02478	1.0
120.99658	0.9
121.06564	0.6
123.00896	0.8
125.02467	5.9
130.48219	0.6
137.02467	0.6
147.00932	0.7
151.00378	1.8
161.02502	0.8
161.04567	0.7
163.00447	0.6
167.06133	1.0
169.01453	7.7
171.49091	0.5
173.04552	1.8
176.01207	0.6
177.01949	0.8
183.04416	0.8
189.01900	1.0
190.99924	1.5
199.04106	0.7
211.04120	0.6
214.02783	0.7
214.14528	0.5
217.01405	1.2
218.41553	0.5
225.05577	1.1
226.02863	0.7
227.03535	10.0
228.04207	1.2
229.01343	1.1
229.05049	1.2
230.02219	1.5
230.99413	1.6
232.00121	3.0
233.00960	0.6
239.03516	0.6
240.04245	1.3
241.05016	2.7
241.74725	0.5
242.02249	0.6
243.02985	0.9
243.06659	0.9
245.00888	9.0
246.01642	1.6
253.01447	1.2
253.08670	0.6
254.02309	0.8
255.03107	3.6
255.06520	3.8
256.03766	1.5
256.07397	1.4
257.00970	1.1
257.04556	2.5
257.07083	0.5
264.07745	0.7
267.03058	0.9
268.03848	0.7
269.01340	3.0
269.04517	5.3
270.01620	0.9
270.05237	1.0
271.02463	4.7
271.05637	0.9
271.09695	0.8
273.00354	0.8
273.03995	0.8
281.00995	1.8
282.01764	1.0
282.08755	0.5
283.02545	1.7
283.06119	5.4
283.09286	0.9
284.03729	0.8
284.06836	4.5
285.00433	7.0
285.07294	0.8
295.02502	2.1
296.03210	1.2
297.04031	2.3
297.07343	0.7
298.01074	0.9
298.04813	0.9
299.01993	9.5
299.05640	3.8
299.09232	2.2
300.02414	0.5
300.06332	1.1
301.03601	5.1
302.04102	1.2
309.04230	0.6
309.07639	1.1
310.04800	0.7
311.05542	0.9
313.06152	2.9
324.02646	0.7
325.03510	2.2
325.07339	1.6
327.05045	3.5
327.08813	6.4
328.05756	1.6
328.09348	0.9
343.08258	2.4
353.03238	2.6
353.06555	2.6
356.08710	2.8
371.07751	33.5
372.07990	3.5
380.33414	0.5
397.05652	6.8
398.05667	0.7
415.06750	100.0
415.12305	7.6
416.07104	12.1
416.12491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01721	1.0
61.98845	0.8
66.12008	0.3
67.03770	0.2
69.51208	0.7
69.51620	1.9
173.87500	0.3
278.07385	0.3
341.30569	0.6
413.30637	11.6
413.36331	0.9
414.30899	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	413.3061
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
50.04912	0.6
59.01384	4.2
60.74599	0.6
61.98811	1.6
67.62821	0.6
71.47118	0.6
71.72501	0.9
73.02953	17.7
80.45849	0.6
83.70744	0.6
95.59369	0.6
104.06799	0.7
109.79848	0.7
127.71722	0.7
131.87958	0.6
236.10437	0.6
287.32578	0.6
330.53769	0.7
369.30170	0.8
413.30612	100.0
414.30923	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	413.3063
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
59.01357	0.6
61.98826	0.4
93.00344	0.2
98.19712	0.5
109.07774	0.2
114.06039	0.2
115.52399	0.2
115.62181	0.2
127.07662	1.4
135.04649	0.2
138.81369	0.2
207.91930	0.2
223.20563	0.2
301.21768	0.2
342.73093	0.2
383.26071	0.7
413.30606	100.0
414.30954	12.4
414.35312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.306
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
52.09991	0.4
59.01381	6.0
61.98814	1.0
71.01369	0.7
71.05006	2.1
73.02927	0.7
75.00867	1.8
75.56149	0.5
117.72889	0.5
267.26819	0.5
281.28345	2.0
323.29626	2.0
341.30655	11.8
342.30899	1.8
351.32666	3.1
353.30807	7.0
354.30804	0.6
395.31430	0.7
413.30542	100.0
414.30890	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	413.109
Annotation	Futalosine
Peak:m/z	Relative Intensity
56.63296	0.3
57.03460	0.4
59.01378	4.8
61.98832	3.1
64.53500	0.3
64.53811	0.4
69.03456	3.6
69.49622	3.5
71.01383	2.1
73.02978	0.8
79.01886	0.4
81.03473	1.3
83.01389	1.9
85.02963	1.2
85.23210	0.3
87.00940	0.5
89.02454	1.4
93.03479	0.5
95.01399	1.5
96.96003	0.4
97.02971	2.9
99.00891	0.5
99.04541	2.1
101.02476	1.3
107.01424	1.3
108.02202	0.5
109.02971	0.5
111.00867	0.5
113.02447	0.8
119.03517	0.5
119.05054	0.4
120.99688	0.8
121.02989	0.7
122.03767	0.5
123.00909	6.5
123.04543	1.7
124.01682	19.2
125.02468	64.4
126.02790	2.3
135.04532	0.4
137.02460	2.8
137.74049	0.3
149.99606	36.6
151.00398	2.3
153.01941	1.2
161.04578	0.9
163.04047	0.5
165.01999	0.6
167.03488	0.8
168.00662	69.4
169.01427	5.5
170.01797	0.3
193.01381	0.4
195.71515	0.3
201.01987	0.6
207.10120	0.4
223.13409	0.3
267.12308	0.4
269.00836	0.8
269.07895	0.4
273.49451	0.3
285.00320	0.5
300.99869	1.0
311.01965	0.5
313.05817	1.3
325.07233	1.1
331.06610	1.0
341.06799	0.7
351.21921	0.4
369.06198	2.8
395.09763	3.5
413.05283	9.5
413.10828	100.0
414.05527	1.2
414.11151	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62894	1.1
50.70860	0.9
55.01875	3.1
57.03453	1.7
59.01381	96.8
71.01390	23.7
71.64687	1.9
72.39561	0.8
72.99340	1.4
73.02946	12.4
76.01247	0.8
77.16028	0.8
81.93699	0.7
83.01391	5.8
85.02956	13.0
88.98831	1.5
89.02454	4.4
89.52518	0.7
95.01388	1.6
99.00885	4.7
101.02460	33.2
103.03987	1.1
103.52982	0.8
105.28653	0.9
111.00894	1.4
112.86141	0.9
113.02455	11.7
117.05632	1.0
119.03529	1.7
125.02495	1.2
131.03525	56.1
132.03821	1.2
143.03500	1.7
159.02986	1.8
161.04581	12.6
221.10310	100.0
222.10663	4.1
269.47525	0.8
317.25897	0.8
349.75284	1.0
352.76447	1.2
353.14551	36.3
354.14792	3.0
413.10632	1.2
413.16330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83087	1.0
54.43838	1.0
54.46412	1.0
55.01879	2.7
57.03445	3.4
59.01378	84.3
60.01713	1.2
61.98833	5.2
68.34703	1.2
69.27475	1.1
70.40786	5.0
71.01387	29.3
72.99306	2.1
73.02950	22.1
75.00909	1.1
78.95927	1.2
80.26880	1.2
81.06985	1.1
83.01392	8.0
85.02957	20.4
87.00899	2.3
88.98804	1.5
89.02454	11.6
93.91229	1.2
95.01382	1.8
96.96026	2.9
96.97005	2.0
98.37456	1.1
99.00894	7.9
101.02453	41.7
102.02811	1.3
103.04031	6.1
109.02972	1.1
113.02457	16.0
117.05567	2.8
119.03510	1.2
125.02529	1.0
129.02037	1.4
131.03517	39.3
135.04581	1.2
143.03534	1.8
159.03049	2.3
161.04582	12.2
207.06618	1.4
221.10301	100.0
222.10713	4.6
237.09789	1.5
249.09811	2.7
267.11029	1.2
320.08563	1.1
323.13379	1.8
344.70743	1.0
353.14526	78.0
354.14941	7.0
413.10751	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	413.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20807	0.3
59.01381	33.8
60.01714	0.5
61.98831	5.8
69.58896	2.7
82.02999	0.3
85.02963	0.3
100.82447	0.3
104.02695	3.9
109.02930	0.5
119.03504	0.5
120.99666	0.5
122.22667	0.3
123.00883	0.6
125.02431	0.4
140.26785	0.3
143.05063	0.3
145.03094	0.4
145.66946	0.3
148.01669	6.9
163.04082	0.5
171.18271	0.3
176.01163	69.8
177.01482	2.9
191.03513	100.0
192.03850	4.2
201.01991	0.5
233.04504	0.4
251.05663	0.5
413.10886	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	413.0514
Annotation	Kynapcin 24
Peak:m/z	Relative Intensity
59.01386	0.4
79.77381	0.4
80.59559	0.3
89.87016	0.4
90.40907	0.4
96.57759	0.4
123.00867	0.7
145.03008	0.5
147.00838	0.6
161.02531	0.7
161.99597	0.8
163.00392	0.6
171.04497	0.4
173.02516	0.6
177.01930	0.4
183.04605	0.4
184.05289	0.9
184.77943	0.4
187.04114	0.5
189.01929	2.0
196.05241	0.6
197.02356	0.5
198.03177	0.9
201.01958	0.9
202.99879	1.1
208.00056	0.7
209.06131	0.5
210.95895	0.4
211.04021	1.1
212.04784	0.5
212.45453	0.4
213.01918	0.4
213.09227	3.0
214.02693	0.7
217.01353	0.5
217.98581	1.6
223.04053	0.9
223.07552	0.7
224.04753	2.0
225.05598	0.5
225.09207	1.4
226.02821	0.7
227.03537	0.6
229.01414	1.5
229.36394	0.5
239.03445	1.7
239.07147	0.5
240.04248	3.0
241.01129	0.4
241.08673	1.7
242.02167	1.4
245.00893	4.6
245.98079	1.8
246.98785	1.0
251.03519	2.4
251.07307	0.7
252.04140	1.3
253.05092	1.2
253.08626	1.4
254.02023	0.8
255.02946	1.1
256.03796	0.8
257.08340	0.5
259.99576	1.9
265.05179	1.9
266.05682	0.9
267.02957	7.1
268.03729	9.0
269.00931	2.1
269.03906	0.8
269.08124	2.3
270.01764	0.6
273.00436	0.6
273.97531	1.4
279.06607	0.9
281.04602	1.5
281.08148	2.1
282.01688	1.1
282.05276	2.0
283.02539	0.6
283.99609	2.3
285.00314	1.4
295.02475	16.3
296.02975	2.0
296.06601	0.5
297.00558	4.3
297.07684	25.7
298.01028	1.7
298.08118	2.3
309.04114	1.0
310.04800	0.5
311.01950	1.2
311.05502	0.6
313.07080	1.1
323.05649	1.6
325.07166	10.7
326.07642	0.6
339.05084	2.0
341.06662	4.3
342.07101	0.6
367.04840	0.6
369.06152	12.2
370.06207	0.7
413.05136	100.0
414.05484	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01730	0.8
61.98834	1.1
71.56734	0.6
78.95918	1.9
80.96375	0.4
110.50391	0.4
141.74432	0.4
152.99591	2.3
153.99878	0.5
155.00073	0.7
168.69250	0.5
179.06529	0.4
249.09268	0.4
399.71066	0.4
411.24225	1.0
411.29474	3.8
412.29730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44970	0.4
57.03439	1.4
59.01376	0.5
61.98831	0.8
63.73695	0.4
67.37453	0.4
69.03449	0.7
69.92317	2.8
73.15124	0.4
79.64067	0.4
80.78996	0.4
81.03483	0.5
86.71708	0.4
87.00890	0.5
91.42653	0.4
97.06615	1.3
99.04536	30.5
99.92591	1.4
100.04836	0.5
112.75278	0.4
125.02459	8.6
128.58656	0.5
134.58008	0.4
205.71530	0.4
267.26941	11.9
268.27335	1.5
290.13095	0.4
307.30072	0.9
367.32199	22.2
368.32547	2.9
383.83987	0.5
411.31165	100.0
412.31522	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	411.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
61.98838	1.4
62.38809	0.5
70.39492	2.0
72.54384	0.6
87.00890	0.5
88.53337	0.5
99.04534	34.6
100.04855	0.9
113.08183	0.6
122.21320	0.6
125.02477	3.0
138.41148	0.6
166.74971	0.6
182.80367	0.6
267.26898	4.7
314.09924	0.5
321.31647	1.6
349.30954	0.7
367.32202	21.0
368.32587	2.6
411.31174	100.0
412.31555	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	413.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02335	0.3
59.01373	1.4
61.98841	1.7
61.99131	0.3
71.01379	0.7
83.28053	0.4
89.57787	0.4
92.99385	0.3
93.03435	0.4
95.01403	0.5
98.20629	0.9
100.10207	0.3
101.02399	0.4
121.03057	0.4
123.00877	1.1
133.02975	0.4
134.00114	0.3
147.00854	0.9
154.04259	0.4
158.03609	0.3
160.01643	0.5
161.02484	1.0
161.99539	0.6
163.00385	1.9
164.01173	0.6
165.99092	0.4
170.03670	0.5
171.04469	0.4
175.00401	0.4
177.01942	0.6
177.99025	0.5
183.04562	0.5
184.05295	0.8
185.09850	0.4
189.01909	0.7
195.04480	0.5
195.08209	0.5
197.02376	0.5
197.09705	0.8
198.03224	0.8
201.01953	1.0
201.05714	0.4
202.99937	1.8
205.98621	0.5
206.99371	1.1
208.00128	1.4
209.06023	0.5
210.03296	0.4
211.04036	1.2
212.04805	0.9
213.09196	3.1
214.02728	0.7
217.01395	0.4
217.98582	2.8
223.04007	1.0
223.07675	0.8
224.04797	2.0
225.09203	1.6
226.02669	0.7
227.03394	0.8
229.01416	1.4
237.05544	0.7
238.06427	0.7
239.03531	2.0
240.04158	1.9
241.08725	1.2
242.02184	1.5
245.00986	2.1
245.98015	3.3
246.98834	2.4
251.03398	1.9
251.07309	0.6
252.04208	1.3
252.07745	0.4
253.05215	0.5
253.08693	1.8
254.02237	0.7
254.05894	0.6
255.02933	1.1
256.03674	1.0
259.99570	2.7
263.06982	0.4
264.04169	0.4
265.05078	1.9
266.05762	1.0
267.02957	7.2
267.05930	0.3
268.03735	6.9
269.00848	1.5
269.03760	0.6
269.08194	3.5
270.01660	0.5
270.08743	0.4
273.00400	1.2
273.97586	2.4
279.06607	0.8
280.07233	0.5
281.04547	1.6
281.08197	2.6
282.01794	1.0
282.05341	2.3
283.02316	0.4
283.99640	1.4
284.02942	0.4
285.00262	0.5
288.99921	0.5
295.02505	13.0
296.03073	1.6
296.06854	0.7
297.00674	2.1
297.07666	25.5
298.01157	1.5
298.08008	1.9
301.03619	0.6
302.04221	0.4
307.02646	0.4
307.05951	0.7
309.00366	1.0
309.03833	0.5
309.13324	0.4
310.04636	0.4
311.01901	1.2
313.07388	0.6
314.97894	0.6
323.05609	1.4
325.07172	12.6
326.07507	1.3
339.05179	2.7
341.06729	5.0
343.27170	0.4
351.05008	0.4
369.06140	8.3
370.06915	0.6
412.67270	0.5
413.05127	100.0
414.05487	9.6
429.81290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00563	0.7
59.01380	75.1
60.01714	0.9
61.01820	0.7
61.98832	28.7
69.03458	2.3
69.73726	1.0
69.74136	4.5
71.01384	15.3
72.99297	0.8
73.02950	6.7
75.00896	0.9
78.65899	0.8
83.01393	3.9
85.02971	5.0
85.06601	100.0
86.06939	3.0
87.04538	0.9
89.02447	6.2
95.01402	2.3
98.20639	0.9
99.00909	0.9
101.02467	13.5
101.06069	5.0
113.02466	18.4
113.06113	21.8
114.06409	0.8
115.04030	18.7
115.07665	3.3
119.03540	5.7
129.05585	9.4
130.08765	0.8
131.03465	1.6
139.04013	1.7
143.03514	1.3
157.05064	9.6
161.04584	5.4
171.06639	1.8
179.05679	0.8
189.07704	33.0
190.08081	1.2
192.00737	1.7
206.02397	0.8
207.03035	2.4
215.45824	0.7
221.06654	1.7
229.07161	1.3
231.08577	1.0
291.10837	1.0
309.11975	1.4
351.19577	1.3
373.11386	3.0
411.09116	2.1
412.13571	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.239
Annotation	Conyzanol A
Peak:m/z	Relative Intensity
57.03458	0.3
59.01381	1.6
61.98817	0.5
63.59413	0.3
71.01376	0.7
71.48747	0.6
79.93954	0.2
83.05042	0.8
85.02964	8.7
89.02479	0.4
91.35300	0.3
99.04529	0.8
101.02441	0.3
101.06091	3.4
115.04033	9.2
123.08197	2.3
127.04026	0.3
131.70435	0.2
141.02216	0.3
143.03532	1.2
144.04317	0.7
145.05075	5.1
151.11293	0.4
205.12378	0.7
211.13397	0.8
244.00487	0.3
249.11272	1.6
259.17151	0.5
261.18585	14.9
262.19009	1.4
265.17917	0.6
277.21725	3.9
278.22067	0.4
287.20197	0.8
289.21881	0.7
295.22781	0.5
305.17654	0.9
305.24847	2.0
307.22760	0.7
339.21655	0.4
349.23871	18.6
350.24014	2.2
367.24750	0.5
370.30322	0.3
411.23889	100.0
412.24216	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	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01702	1.1
61.50838	0.6
67.47383	0.6
70.56067	1.9
70.56436	1.1
77.92820	0.6
84.54663	0.6
85.02960	0.8
180.00790	0.6
258.30826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80713	4.8
53.82336	4.5
54.33807	4.0
56.19091	3.6
59.01381	17.1
61.98832	30.2
66.87724	4.5
71.01384	16.5
71.63286	4.3
71.63622	7.4
74.13865	4.5
75.00869	5.8
81.37797	4.3
87.00881	6.5
89.02455	7.6
90.37685	4.5
96.96026	43.7
101.02456	14.0
111.00919	6.5
113.02434	8.3
125.02470	11.5
131.03497	7.3
149.02446	32.9
150.03256	45.0
161.04587	11.4
161.06378	6.2
162.03223	4.8
164.04840	17.5
165.05591	100.0
167.03477	6.2
169.01463	13.3
177.05421	4.3
191.05574	6.5
192.47630	3.9
195.06625	41.9
205.01294	5.6
241.00247	27.5
327.10867	44.5
335.77994	4.4
357.12186	9.0
411.02393	18.8
411.10434	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54848	0.7
52.31553	0.7
52.94297	0.7
55.01874	1.2
57.03458	0.9
57.33416	0.6
59.01382	17.3
60.01702	1.0
61.98832	35.1
63.73236	0.7
65.03970	1.0
67.01888	1.3
67.06722	0.6
69.03462	3.6
69.95035	0.7
71.01386	13.0
71.66309	0.9
72.99322	1.8
73.02937	3.8
73.12123	0.7
74.40804	0.8
76.70968	0.7
79.01895	0.7
81.03435	0.7
83.01395	2.1
85.02957	8.6
85.71894	0.6
87.00890	1.2
87.04539	0.9
88.98822	1.2
89.02456	5.0
93.03461	1.8
95.01398	3.9
95.04993	0.7
97.02970	2.7
99.00887	3.3
99.04521	0.9
99.30177	0.7
101.02472	5.6
105.01965	0.7
105.03503	1.3
105.07105	0.9
107.01411	9.5
107.05048	2.5
109.02982	2.1
111.00910	2.7
113.02466	20.0
114.02863	1.2
117.01977	1.5
117.03467	0.9
117.05539	1.2
119.03519	1.6
119.05045	2.0
121.02980	4.0
121.06619	2.7
122.03774	1.5
123.00903	7.4
123.04588	1.6
124.01692	1.7
125.02464	81.5
125.59767	0.9
126.02792	5.1
131.05069	1.0
133.02943	1.2
133.06624	8.7
133.07536	1.2
135.04549	4.6
136.01733	0.7
137.02460	4.1
139.00386	1.7
139.03972	0.8
140.01154	2.0
141.01952	0.8
143.03537	0.8
143.05003	0.8
145.02988	3.7
145.05099	4.5
146.03758	2.2
147.04555	1.4
148.01701	1.2
149.02481	8.0
149.06104	3.7
150.03265	11.1
150.06482	0.7
151.00427	3.7
151.03952	9.8
153.01956	2.7
159.04539	6.2
160.05243	1.2
161.02461	2.1
161.04588	4.0
161.06107	14.6
162.03244	4.4
162.06493	1.1
163.04033	18.8
164.01189	1.3
164.04482	1.1
165.01950	4.0
165.05586	13.4
165.06847	1.1
166.02661	0.8
166.05946	12.0
167.03484	3.0
168.00671	3.7
169.01447	100.0
170.01770	5.9
170.05670	0.7
175.03972	3.1
177.02019	1.7
177.05553	6.4
178.06021	0.9
179.03571	1.7
179.07162	4.0
180.04175	0.7
181.04666	0.7
183.03075	0.9
187.04031	10.5
188.04459	0.8
190.02765	5.6
191.03534	2.1
192.00705	1.5
193.01436	40.2
194.01746	3.5
195.03070	1.1
195.06664	4.1
196.07039	3.6
203.03583	3.9
204.04137	1.8
205.05072	34.2
206.05299	3.3
207.02989	1.7
211.02460	4.4
219.02991	1.1
221.04564	1.2
223.02487	1.6
223.06200	1.6
231.03000	2.6
233.00958	1.6
235.02487	1.3
237.00375	3.0
241.03534	1.4
247.02415	1.0
249.04053	27.3
250.04410	3.2
265.09280	0.9
271.04651	0.7
275.01926	1.3
279.14554	3.0
293.03113	5.9
295.04568	1.0
298.04251	0.9
300.99954	1.1
309.81586	0.8
313.05646	13.5
314.05984	1.7
325.03741	0.8
331.06738	8.0
332.07074	1.2
334.04355	1.2
337.02026	48.9
338.02393	7.1
350.18939	0.9
410.04370	1.1
411.13800	1.0
411.18777	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	409.2233
Annotation	Dendronpholide R
Peak:m/z	Relative Intensity
57.03444	0.3
59.01384	2.8
59.98508	0.6
61.98829	1.8
69.35348	0.5
69.35752	2.2
70.02589	0.2
70.22735	0.2
71.01393	0.5
78.95867	0.3
80.96500	0.3
83.05032	0.7
85.02959	7.9
85.06595	2.0
87.00910	0.3
89.06848	0.2
92.93412	0.3
96.96001	0.6
97.06605	2.0
99.04511	1.0
101.02451	0.2
101.06095	3.6
107.86157	0.3
115.04025	6.4
118.93144	0.2
121.06693	0.4
123.08183	0.6
124.14049	0.2
127.04081	0.5
135.08173	0.3
137.09747	0.3
143.03497	0.9
145.02914	0.4
145.05067	6.2
146.05415	0.3
151.00360	0.3
154.95544	0.3
195.05757	0.3
217.16063	0.4
242.13295	0.3
259.17023	26.7
260.17358	2.5
263.16544	0.6
275.20148	6.6
276.20538	0.6
287.20248	1.6
293.21365	0.5
303.23276	2.5
304.23618	0.5
305.21283	0.7
321.24399	0.7
337.20071	0.3
347.22284	21.5
348.22614	2.5
365.23343	1.0
377.69794	0.3
390.15002	0.3
409.22327	100.0
410.22675	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	409.296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09671	0.6
55.01878	8.5
56.90412	0.7
57.03444	3.1
60.39506	0.6
64.18953	0.6
69.03448	1.2
71.01372	1.0
73.54405	0.7
95.05038	2.1
96.96011	3.8
99.00892	25.9
152.53578	0.7
204.15990	0.8
250.11296	0.7
267.26926	20.4
268.27356	2.0
305.28558	1.8
321.31644	1.1
337.27417	0.7
337.31122	0.9
365.30618	100.0
366.30966	12.7
409.14133	1.3
409.29968	21.6
410.30154	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	410.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32824	0.4
59.01379	12.8
60.01718	0.8
61.98833	7.3
67.01886	0.5
69.03452	2.2
69.59785	3.6
71.01392	3.6
73.02940	0.8
79.01894	0.6
81.03481	0.7
83.01412	0.8
85.02968	1.6
87.00891	0.6
89.02453	1.5
90.23225	0.4
93.03476	0.9
95.01397	0.8
97.02965	2.0
99.00893	1.5
99.61479	0.5
101.02446	2.7
105.03469	0.5
105.07143	0.5
107.01402	11.3
107.05067	1.6
109.02975	0.8
111.00918	0.9
113.02474	5.6
115.07671	0.5
117.03534	0.8
117.05568	0.6
119.03583	0.4
119.05047	1.3
121.02993	0.8
121.06617	1.8
123.00903	1.4
123.28427	0.4
124.01678	1.2
125.02463	61.8
126.02803	3.6
131.03539	1.0
131.05019	0.7
133.06613	4.8
134.06963	0.6
135.04559	2.7
137.02477	2.2
143.03607	0.4
143.05003	0.7
145.02977	2.0
145.05074	2.9
146.03719	1.0
147.04475	0.5
149.02434	3.5
149.06100	1.3
150.03247	5.8
150.04350	0.7
151.00433	0.7
151.04019	5.5
153.01944	3.8
159.04579	2.8
160.05209	0.6
161.02480	0.5
161.04610	1.1
161.06085	8.9
162.03218	1.9
162.04480	0.5
162.06540	0.5
163.04033	11.6
164.01271	0.5
164.04422	0.7
165.01959	2.1
165.05591	6.3
166.02635	0.9
166.05923	5.0
167.03505	3.5
168.00697	0.7
169.01443	100.0
170.01782	6.6
171.01958	0.6
175.04022	1.4
177.01869	0.6
177.05553	2.7
179.07050	0.5
187.04019	4.3
190.02737	3.0
191.03377	0.9
193.01425	16.2
194.01779	1.3
195.02991	0.5
195.06615	2.1
196.07018	2.1
203.03505	2.0
205.05069	16.9
206.05421	2.0
211.02487	1.2
213.03983	0.5
214.04839	0.9
215.05754	1.2
221.04469	0.7
230.66908	0.5
231.02946	0.8
233.00961	0.6
237.00392	1.9
247.02365	0.6
249.04016	12.3
250.04282	1.6
275.01938	0.5
279.14523	1.8
293.03104	2.2
313.05579	1.0
329.66690	0.5
331.06750	2.3
337.02005	33.7
338.02530	3.8
349.18646	0.5
350.19061	1.7
362.13617	0.6
378.34335	0.4
383.20438	0.4
411.13959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2233
Annotation	Dendronpholide R
Peak:m/z	Relative Intensity
59.01378	2.4
59.98501	0.5
61.98827	2.0
69.44518	1.6
69.44952	2.1
69.88170	0.3
71.01396	0.5
83.05049	0.7
85.02958	6.6
85.06587	1.5
96.95984	0.9
97.06617	1.7
99.04538	1.1
101.06096	3.3
115.03259	0.6
115.04022	6.6
123.08182	0.7
133.53241	0.3
135.08180	0.5
143.03493	1.3
145.05080	6.4
228.57404	0.4
242.12962	0.4
259.17007	28.2
260.17319	2.3
263.16458	0.8
275.20151	6.3
276.20319	0.4
287.20218	1.2
293.21225	0.4
303.23352	2.9
304.23682	0.4
321.24408	0.5
347.22284	21.3
348.22610	2.3
350.46347	0.3
365.23221	0.8
409.22318	100.0
410.22641	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03459	0.5
58.00591	0.4
59.01382	100.0
60.01720	0.7
61.98835	3.1
69.03452	0.4
71.01389	8.9
71.73794	0.4
72.99328	0.9
73.02956	2.7
73.50284	0.3
75.00868	0.6
80.64132	0.3
83.01413	1.0
83.05042	0.3
85.02958	3.5
87.00890	0.6
88.98907	0.3
89.02453	4.6
93.03477	0.4
94.44102	0.2
95.01415	1.0
96.96049	1.1
98.95623	1.7
98.96455	0.3
99.00930	1.1
99.04531	0.4
101.02461	6.6
101.06114	0.9
107.05083	0.5
111.00942	0.3
111.04588	0.4
111.58085	0.3
113.02464	4.7
117.05620	0.6
119.03528	1.4
122.03777	0.6
123.00906	0.3
125.02460	3.0
127.00389	0.4
129.01939	0.4
129.05624	1.3
133.06651	0.4
134.03702	0.6
135.04578	1.9
135.06699	0.3
137.02489	0.4
143.03555	0.7
143.07262	0.4
149.02492	1.3
150.03255	4.5
151.04012	0.3
159.03043	0.9
159.04486	0.3
161.02568	0.5
161.04590	9.2
161.06009	0.6
163.04025	0.7
165.01927	0.3
165.05588	7.6
166.06000	0.3
169.01454	3.6
176.04695	0.4
179.05687	0.7
180.04375	0.5
187.04039	0.3
187.09839	0.4
187.13452	0.5
189.05688	0.3
190.02806	0.3
191.03610	0.4
193.01511	0.8
195.06631	3.3
203.03616	0.9
205.03467	0.3
205.05170	0.7
221.12149	0.3
227.66853	0.3
241.00400	0.5
242.99878	1.7
246.01759	0.5
247.02531	0.7
249.04176	0.6
277.13040	0.5
297.12103	1.0
301.10950	0.3
331.06943	0.3
337.02142	1.7
349.08246	0.4
349.15060	0.6
349.18689	12.0
350.19196	0.9
361.13171	0.8
368.49698	0.2
393.17798	2.1
409.07687	1.9
409.16913	0.9
409.21384	2.7
410.21246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.3
55.02612	0.3
58.00592	0.3
59.01380	100.0
60.01714	1.1
61.98835	1.2
69.44235	0.2
70.90818	0.3
71.01388	10.2
71.09241	0.4
71.09578	0.6
71.51044	0.3
72.99306	0.5
73.02953	2.1
73.44006	0.3
75.00887	0.3
75.14795	0.3
83.01393	0.6
85.02956	2.8
87.00887	0.4
89.02460	6.6
89.02996	0.5
89.28876	0.2
95.01415	0.9
96.96024	1.7
96.97021	0.5
99.00912	0.9
99.30175	0.3
101.02458	6.9
101.03077	0.5
108.02245	0.3
109.06516	0.3
111.02015	0.7
113.02457	5.0
119.03522	2.7
120.30436	0.3
125.02499	1.1
129.01968	0.3
131.03581	0.4
143.03545	1.1
149.02446	0.4
150.03247	1.2
159.03032	0.5
161.04581	9.8
165.05588	1.8
169.01430	1.4
179.05641	2.3
180.58669	0.3
193.01537	0.7
195.06688	0.4
198.18318	0.3
249.03955	0.3
337.02106	0.7
349.18680	20.2
350.18860	1.9
361.13071	0.4
380.75482	0.3
393.17697	1.6
409.08612	0.6
409.20770	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.2
58.00592	2.3
59.01382	100.0
60.01733	1.2
61.98837	5.4
69.03461	0.7
71.01389	32.0
72.01732	0.6
72.99322	3.8
73.02957	4.9
75.00867	1.3
80.46132	0.6
81.03479	0.8
81.77042	0.5
83.01397	3.1
83.09372	0.5
85.02961	8.7
85.70335	0.5
87.00883	3.8
87.04544	1.7
88.98846	0.6
89.02458	37.0
90.02808	0.8
93.03481	1.0
95.01405	2.5
95.05063	0.6
96.96072	0.6
97.02943	0.6
97.06615	1.6
99.00898	1.8
99.04534	0.7
101.02458	23.9
101.06094	7.2
102.02826	0.7
108.02182	1.1
109.02995	1.9
111.00892	1.0
113.02473	14.0
115.04089	1.2
115.07674	3.7
119.03525	13.1
119.04314	1.0
120.99670	0.6
123.00926	2.9
125.02457	3.7
127.04060	1.1
131.03549	1.3
134.03705	1.1
137.02452	1.0
143.03540	4.8
146.03789	0.9
147.04449	0.6
149.02480	2.1
149.04610	1.0
150.03267	5.5
151.00421	1.9
153.02031	0.6
159.03020	1.2
159.06677	1.0
161.04594	10.1
162.04961	0.6
163.06158	0.6
164.04781	1.2
165.01981	1.5
165.05594	6.4
168.00627	0.6
169.01462	2.6
179.05666	11.4
179.07169	1.8
180.04315	0.8
181.05142	0.9
187.13423	4.4
190.79164	0.5
192.04233	0.6
195.06570	2.8
211.06187	0.7
247.02469	0.7
307.10501	0.8
349.11737	3.1
349.18671	52.7
350.19037	6.3
361.13126	1.5
365.12350	0.8
373.11386	21.6
373.21426	0.7
374.11850	2.4
409.07272	1.1
409.11761	1.5
409.17200	3.4
409.28671	3.9
430.66849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24822	0.4
55.01882	1.1
57.03440	1.5
57.83138	0.4
58.00600	0.7
59.01380	100.0
60.01722	1.4
61.98833	7.6
71.01385	23.1
71.73567	0.7
71.74015	0.8
72.99319	1.8
73.02954	6.2
74.99116	1.0
75.00880	3.2
83.01401	3.8
85.02956	9.7
87.00905	1.8
89.02460	8.2
93.03455	0.9
95.01402	2.4
96.96049	0.6
97.02973	1.1
99.00880	3.7
101.02460	20.8
101.06111	1.1
102.02840	1.0
103.97083	0.5
107.05051	1.2
109.03029	0.5
111.00933	0.7
111.04542	0.5
113.02465	10.9
119.03538	3.4
119.04995	0.6
120.99679	0.7
123.04546	0.6
125.02439	3.2
129.01974	0.6
129.05626	1.3
131.03479	0.5
134.03743	1.8
135.04575	5.0
135.98387	0.5
136.03320	0.5
136.99164	0.6
137.02492	0.9
143.03516	1.6
149.02402	0.6
151.03972	1.0
153.01956	0.6
159.03017	2.1
161.02525	0.8
161.04578	15.4
162.04848	0.5
163.03969	0.7
165.01912	1.7
165.05612	1.7
169.01404	2.4
174.33646	0.5
179.05676	1.8
180.04251	1.0
181.05132	0.5
187.13452	2.1
190.02625	0.9
191.03539	0.6
191.05692	0.5
193.01424	0.8
195.06662	2.7
203.03506	0.8
205.01506	0.5
205.05074	0.7
247.02516	1.5
291.64636	0.5
297.11877	0.8
337.01984	1.1
349.18686	73.6
350.19104	6.3
361.12979	1.1
409.07413	2.8
409.16541	2.6
410.08200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58964	18.9
59.01366	65.9
61.98818	59.2
69.56507	79.9
69.56935	100.0
71.01390	30.9
89.02429	20.1
101.02470	22.4
120.99640	32.3
131.44951	19.6
251.57819	19.6
272.75989	21.2
409.19772	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55515	0.4
55.01880	0.6
57.03447	0.7
58.00587	0.5
59.01378	100.0
60.01712	0.7
60.54554	0.3
61.98830	4.8
71.01385	13.7
71.16920	1.0
71.22247	0.4
72.99311	0.6
73.02967	3.2
74.02525	0.4
78.95911	1.0
83.01406	1.2
85.02957	5.0
87.00877	0.8
89.02452	8.7
95.01402	1.2
96.96017	7.7
96.96967	2.0
98.41357	0.4
99.00904	1.9
101.01788	0.6
101.02450	10.0
111.00941	0.5
113.02455	6.9
119.03507	3.5
121.02983	0.6
122.03797	1.1
125.02473	1.4
129.05600	0.5
131.03435	0.4
135.04521	0.6
143.03554	1.3
149.02463	3.9
150.03256	7.6
159.03033	1.2
161.04578	9.7
161.05852	0.8
164.03496	0.5
164.04814	0.7
165.04205	0.5
165.05573	13.4
166.05991	0.6
169.01469	0.8
178.04959	0.9
179.05675	3.0
180.04401	0.4
189.05667	1.7
195.06604	2.7
205.03381	0.4
213.07767	1.2
239.69948	0.4
283.12650	0.4
285.07809	0.7
286.08350	0.7
301.10803	1.7
337.02182	0.5
349.18661	40.9
350.18967	3.8
361.12973	4.3
393.17645	1.9
409.14069	1.4
409.20935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
57.03434	0.7
58.00620	0.4
59.01383	100.0
60.01713	1.1
61.98841	6.6
69.03443	0.6
70.12933	0.5
71.01389	11.6
71.01752	0.9
71.27814	0.8
71.28162	0.7
72.99343	0.8
73.02956	3.8
83.01408	1.4
83.05041	0.6
83.61510	0.5
85.02968	4.8
87.00892	1.3
88.98819	0.6
89.02459	7.6
93.03466	1.8
95.01398	0.9
96.96043	1.1
97.02983	0.7
98.95629	2.2
99.00899	1.6
99.04558	0.7
101.02464	9.3
101.06072	2.7
105.03492	0.6
107.01434	1.2
109.02975	0.7
111.04532	0.9
113.02470	6.1
115.07680	0.7
117.05581	0.9
119.03516	2.5
120.72099	0.5
121.02972	2.3
122.03780	4.9
123.04574	1.1
125.02469	10.5
125.09681	0.5
129.01942	0.6
129.05594	2.9
133.02913	0.6
133.06624	0.8
134.03725	0.5
135.04532	2.2
135.06633	1.1
136.01680	0.8
137.02483	1.0
143.03535	1.5
149.02463	10.6
149.04431	0.5
150.03252	48.1
151.03731	1.7
159.03049	1.3
159.04442	0.6
161.04617	7.7
161.06012	1.3
163.04024	1.5
164.04771	2.2
165.05594	78.4
166.05931	2.9
169.01451	15.0
177.05704	0.7
179.05658	1.5
180.04247	4.0
187.04007	1.1
190.02808	0.7
191.03476	0.8
191.05556	0.5
193.01407	2.9
195.06641	30.6
196.07008	1.3
201.52280	0.5
203.03514	1.4
205.05142	3.2
213.07788	0.9
242.00650	0.7
243.00078	1.9
246.01704	1.1
247.02428	1.0
249.04028	2.1
259.14633	0.5
277.12906	1.0
285.07434	0.5
297.11917	2.9
301.10883	1.5
337.02026	5.6
349.14877	1.6
349.18704	15.9
350.19156	1.4
361.12903	4.2
362.13351	0.6
365.07248	0.5
393.17786	1.5
409.06931	2.4
409.12659	5.6
409.21445	2.9
410.13074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15903	0.4
54.17594	0.5
59.01383	20.7
60.01730	0.5
61.98833	16.5
69.79035	3.1
71.01380	6.0
72.99326	0.9
73.02983	1.8
74.99118	0.5
75.00934	0.4
78.95918	0.5
83.01425	0.4
83.05066	0.7
85.02964	2.1
87.00900	0.9
89.02457	7.6
93.03510	1.8
95.01419	0.7
95.51207	0.4
96.96027	4.0
96.97002	1.9
97.03037	0.6
98.19798	0.9
99.00908	1.7
99.04561	0.6
101.02464	5.1
107.05045	0.6
109.02947	0.6
109.48951	0.5
113.02454	2.4
117.05618	1.5
119.03525	1.2
119.21723	0.4
121.02960	4.8
122.03756	7.2
123.00918	0.7
123.04544	1.3
125.02478	2.7
126.87479	0.4
129.05615	1.9
131.03554	1.1
134.03769	0.7
135.04575	1.6
136.01685	2.1
137.02473	1.2
139.04053	0.8
143.03445	0.5
147.04530	0.7
149.02467	36.3
149.04544	2.8
150.03249	62.7
151.04063	2.7
153.05556	0.6
161.02495	0.8
161.04547	2.3
164.04811	10.4
165.05588	100.0
166.05939	4.4
169.01422	1.7
179.03761	0.7
180.04268	2.8
187.09831	1.3
191.05640	0.8
193.01395	0.5
195.06639	24.5
196.06970	1.2
203.03491	0.7
213.07693	2.1
243.06668	0.5
246.37814	0.5
247.02422	0.5
256.09631	0.5
257.08160	0.5
271.09872	0.6
277.12735	0.8
285.07687	4.4
286.08456	7.9
297.11859	1.6
301.10834	12.2
302.10944	0.8
337.02274	0.5
349.14847	4.7
349.18585	1.1
350.15131	0.6
350.47220	0.5
361.12936	42.7
362.13251	3.4
409.07571	1.2
409.14883	4.6
410.15076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.9
61.00999	0.5
61.98823	2.3
66.03477	0.4
67.01886	1.1
69.33282	0.9
69.33693	3.5
71.01386	1.3
81.03484	1.1
85.02967	1.2
89.02455	0.8
89.21205	0.4
92.99817	0.5
93.03468	0.5
95.01424	1.0
97.21627	0.4
98.20652	0.9
101.02481	0.9
108.02187	100.0
109.03001	20.9
110.02533	0.5
110.03306	0.6
111.00895	3.5
111.35251	0.4
113.02429	0.5
121.02998	1.3
123.00880	1.5
123.04556	1.2
125.02454	0.6
127.04005	0.5
133.02977	0.7
135.00929	0.7
137.02409	0.5
151.04027	1.8
152.01173	59.8
153.01962	21.1
154.02249	0.7
161.04622	0.5
163.04004	1.1
163.15762	0.4
165.01917	1.0
175.04042	0.8
181.05081	0.5
294.93121	0.4
297.06165	1.1
365.08710	0.4
409.07758	72.4
410.08115	7.1
410.16965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01381	27.7
61.98832	10.6
61.99137	0.7
69.03484	0.5
71.01387	9.7
71.01748	0.6
71.05026	0.6
71.71693	0.6
72.99319	1.3
73.02957	2.1
75.00900	1.5
81.03502	0.4
83.01414	0.9
83.05052	0.9
85.02973	3.5
87.00909	1.0
88.98904	0.4
89.02444	5.9
89.02899	0.4
93.03468	2.5
95.01408	1.8
97.02978	1.4
99.00912	1.7
99.04544	1.0
101.02451	8.0
101.06088	2.1
103.26167	0.4
103.88364	0.4
107.01418	1.7
107.05043	1.0
108.02179	0.5
109.02998	1.0
111.00909	1.0
111.04527	0.8
113.02462	5.4
115.07679	0.6
117.05595	1.2
119.03534	1.7
121.02946	3.1
121.05083	0.9
121.06583	0.6
122.03761	8.2
123.00946	1.3
123.04581	0.6
124.01683	0.6
125.02467	18.5
127.04108	0.7
129.05594	1.7
131.03563	0.7
132.43117	0.5
133.02988	1.2
133.06618	1.2
134.03758	0.6
135.04538	3.1
136.01714	1.3
136.99007	0.6
137.02443	1.6
137.06064	0.4
139.00369	0.6
139.04099	0.5
143.03505	1.2
143.07251	0.5
145.02998	0.7
147.04581	0.8
149.02466	14.5
149.04469	0.8
149.06090	1.0
149.21272	0.4
150.03246	65.1
151.00362	0.7
151.03815	2.8
152.01225	0.4
159.03075	0.4
159.04530	1.5
161.02528	0.8
161.04570	3.1
161.06100	2.3
162.03221	0.6
163.04012	3.4
163.06149	0.5
164.01176	0.6
164.04823	3.5
165.05585	100.0
166.05957	4.3
168.00668	0.9
169.01439	18.1
175.03987	1.2
177.05573	1.6
178.47815	0.4
179.03647	0.6
179.05589	1.6
179.07114	0.9
180.04292	4.4
187.04031	1.5
187.06108	0.7
187.09776	0.7
190.02696	1.0
191.03563	0.8
193.01459	7.2
193.05005	0.4
195.06636	38.8
196.06943	2.0
203.03488	1.1
205.05103	5.2
205.73184	0.4
211.02434	0.6
213.07724	4.7
217.01472	0.7
241.00340	0.4
242.76985	0.4
246.01563	1.0
247.02483	1.9
249.04037	4.0
275.02042	0.5
277.12839	1.9
286.08380	1.2
293.03040	0.7
297.11841	1.0
297.80423	0.5
301.10895	2.1
313.05603	2.9
321.04398	1.0
331.06558	1.7
337.01987	8.6
349.14893	1.7
349.18576	4.0
361.13046	4.3
409.07468	2.1
409.12610	1.4
409.16763	0.8
409.21332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2804
Annotation	3alpha,7beta,12beta-Trihydroxy-5alpha-cholan-24-oic acid
Peak:m/z	Relative Intensity
59.01374	0.7
61.98826	0.6
69.43284	1.8
82.83321	0.2
96.95921	0.2
98.19688	0.2
108.03413	0.2
129.99557	0.2
162.34227	0.2
345.24261	0.2
361.27505	0.7
363.25272	0.9
363.29086	9.4
364.29422	1.1
389.26941	0.6
405.26663	0.3
407.28058	100.0
408.28406	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	408.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	2.2
61.98833	100.0
63.11612	0.4
78.39499	0.4
81.64673	0.4
83.72548	0.4
90.79475	0.3
93.55100	0.4
96.96072	0.5
117.64561	0.4
181.91440	0.4
336.76898	0.4
375.51013	0.4
379.30200	0.4
408.24835	0.6
409.02563	0.5
409.31204	2.4
411.14603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
58.02953	3.0
59.01380	86.9
59.60810	1.2
60.01715	1.0
61.98834	8.0
69.73296	5.7
69.73713	2.6
71.01386	18.3
71.05021	1.7
73.02965	6.5
73.03274	1.0
74.02493	6.5
74.99094	1.7
82.34150	1.0
83.01398	1.6
85.02972	9.3
85.17268	1.1
86.02449	2.1
87.00903	2.4
87.02734	0.9
89.02454	10.3
93.03434	1.2
95.01360	1.7
99.00883	2.1
99.05648	3.6
101.02470	11.0
102.98647	1.3
104.05059	1.7
106.06620	1.8
109.02927	1.6
109.06562	1.2
111.00904	1.4
113.02455	8.4
116.05048	1.5
119.03545	2.2
125.02420	2.3
128.03543	10.6
129.03860	3.0
133.06906	1.1
134.06091	1.4
136.99124	1.2
143.03537	2.5
143.04622	14.7
144.04907	4.8
145.05040	1.6
146.04768	3.6
153.01930	1.4
159.03023	1.6
159.05589	2.5
160.06438	6.7
161.04579	16.3
161.07224	4.3
164.03473	1.4
165.05576	1.9
167.10713	1.3
173.07126	2.5
179.05673	2.5
180.04877	1.8
184.63713	1.2
185.07161	5.1
185.11859	1.5
186.07953	6.9
187.08727	1.1
190.07559	1.1
199.05002	1.9
199.08751	4.1
200.09552	5.0
201.10367	23.0
209.04561	2.0
210.08835	2.1
211.09065	2.3
211.12495	1.3
213.06723	11.6
213.10304	3.4
217.06113	1.5
221.10876	1.4
223.12326	4.1
224.09427	1.2
225.06601	3.7
227.08228	5.5
228.08871	2.6
229.09802	2.7
229.13321	5.7
231.07747	1.4
231.11336	4.5
233.10973	1.5
236.09441	1.5
239.11880	4.4
240.08942	1.8
241.09798	3.2
241.13464	5.9
243.04124	2.8
244.04315	1.2
244.09680	1.7
245.09103	1.7
251.11852	7.2
254.07904	2.3
255.08070	5.7
255.11276	3.9
257.05728	1.3
257.09323	4.4
257.12952	57.6
258.09964	2.2
258.13239	3.0
259.07214	4.4
259.10709	3.4
259.14154	1.2
265.09808	3.1
269.12845	11.3
271.07224	1.9
271.10883	2.8
272.08752	3.8
273.09244	6.2
274.01160	1.6
274.09097	1.4
275.01877	2.5
277.09772	1.7
278.12576	1.5
283.10785	6.2
284.05170	1.7
285.12335	2.6
287.10443	7.9
287.13980	67.3
288.14383	6.5
289.11859	2.2
291.09726	1.8
295.10825	9.1
301.12012	2.1
308.07266	3.4
309.07532	4.6
313.08200	10.2
313.11871	30.5
314.12180	3.1
331.09485	7.3
331.12976	100.0
332.13208	6.0
345.14526	1.4
347.13187	1.2
347.17065	15.2
348.17056	1.5
357.10849	4.7
375.08286	2.8
389.13367	16.9
390.13638	1.8
407.14609	86.2
408.15100	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	407.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.1
65.99850	2.0
71.01384	2.1
71.42577	1.8
72.99322	1.3
73.02956	1.2
74.99107	4.3
82.02997	9.0
82.12496	1.1
83.01373	1.2
89.02473	1.4
92.38331	1.0
101.02424	1.5
113.02454	1.6
122.00046	1.1
133.87344	1.0
135.98399	4.2
136.99147	3.8
139.03934	1.0
142.15466	1.0
146.03737	1.2
152.01062	1.3
160.07672	2.5
161.04765	1.3
162.04373	2.1
162.05605	1.0
164.03552	6.7
166.02866	1.3
167.03467	1.8
172.07738	1.4
174.05641	2.9
179.03545	2.1
185.04782	1.3
186.05554	2.1
188.07196	3.3
189.03122	1.3
189.06660	1.3
190.02715	3.6
191.04558	1.3
200.10728	1.4
202.08731	4.0
203.03528	1.5
209.12178	1.2
215.04514	2.6
216.05386	5.4
216.06911	3.0
216.10318	2.2
217.02644	6.8
217.06081	7.0
217.09711	1.3
218.02254	2.2
218.06886	2.6
228.00679	1.3
228.06639	3.6
229.01413	3.3
229.06039	8.3
230.03296	2.1
230.06876	4.9
231.07759	13.2
232.06320	1.0
232.08485	4.1
241.06168	2.9
242.03249	2.7
243.04117	20.0
243.07753	3.6
243.11398	1.0
244.04874	13.9
244.09909	11.9
245.09277	7.6
247.02126	1.1
248.09302	3.5
249.05177	3.1
254.06889	1.7
256.04861	7.0
257.01062	5.5
257.05615	18.5
258.01498	1.0
258.06442	7.5
259.07224	47.9
259.10825	7.6
260.07257	1.9
269.09338	2.5
270.07556	2.0
271.07236	24.0
272.07635	3.0
274.01215	18.6
275.01941	34.7
276.02316	2.8
285.05634	1.4
285.08838	5.3
287.10367	72.0
288.08682	6.1
288.10992	3.5
291.09854	10.9
297.05173	1.3
298.06268	1.7
302.58478	1.2
303.06305	1.2
303.09912	2.9
313.08279	100.0
314.08643	8.8
319.12997	2.3
331.09348	56.4
332.09775	7.1
335.08884	2.5
345.10870	8.9
347.16925	2.1
357.07278	3.4
359.15109	1.8
371.09579	1.2
375.08328	27.0
376.08643	2.1
389.09833	6.3
407.06094	31.1
407.10977	80.5
407.17218	2.8
408.06406	4.3
408.11349	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	407.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
59.01382	23.8
61.98821	1.7
62.04424	1.4
65.99851	1.9
70.54797	1.0
71.01378	8.8
71.46056	2.6
72.99319	1.6
73.02927	1.9
73.08912	1.1
74.99099	2.3
82.03001	8.6
83.01395	1.7
83.05008	1.6
85.02955	3.6
86.02591	1.4
87.00904	1.4
87.04517	1.3
89.02441	3.9
93.84351	1.2
95.01373	1.3
101.02462	3.9
104.51279	1.1
108.02191	2.1
109.02944	9.5
113.02475	3.3
119.03557	2.3
120.99645	2.5
125.02439	2.6
135.98364	2.0
149.09821	1.3
153.01978	11.0
160.07594	1.5
161.04559	4.5
161.05923	1.2
162.04358	2.4
164.03523	5.7
175.04042	1.4
179.03497	2.1
186.05624	2.2
188.07172	3.0
189.01915	3.7
190.02730	9.2
191.04587	1.8
194.04536	1.6
200.07089	1.8
202.02721	2.7
202.08742	3.9
203.03494	4.3
215.04645	2.5
216.05251	5.0
216.06853	4.0
216.10185	3.0
217.02521	4.9
217.06099	10.2
218.02222	11.7
218.06755	1.3
219.03056	1.6
228.00555	1.9
228.06699	2.1
229.01440	10.6
229.06036	9.5
230.06911	4.0
231.02962	2.9
231.05663	2.1
231.07729	11.1
232.08484	3.4
241.06201	3.5
242.03357	3.1
243.04115	18.5
243.07741	4.4
244.04916	13.3
244.09874	11.2
245.00914	2.1
245.09410	5.1
246.01703	2.1
248.09212	3.9
249.05026	2.0
256.04852	5.5
257.00903	18.7
257.05588	14.1
258.01395	2.7
258.06354	8.0
259.04453	2.5
259.07193	44.5
259.10803	8.0
260.07248	2.2
269.09216	4.2
270.07257	1.8
271.07236	19.8
272.07626	2.8
273.98169	2.3
274.01181	57.2
275.01953	100.0
276.02258	7.7
285.08704	3.8
287.10376	67.9
288.08667	5.0
288.11243	2.2
291.09927	10.8
297.06229	3.2
298.05832	1.5
303.09778	1.6
313.08313	91.7
314.08667	8.6
319.12689	1.4
331.09354	51.2
332.09549	5.5
335.08908	3.1
345.10867	8.8
347.17194	5.8
357.07181	3.5
375.08356	19.2
376.08774	1.5
389.09937	5.7
407.06110	97.2
407.10892	71.9
407.17673	5.5
407.26794	2.1
408.06363	8.6
408.11023	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	406.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29416	0.4
59.01377	4.9
61.98833	100.0
69.96577	3.0
73.40004	0.4
87.91014	0.4
90.13788	0.5
210.57033	0.5
363.25543	1.4
406.27057	1.1
407.24329	1.4
407.28793	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	407.0986
Annotation	Khellol glucoside
Peak:m/z	Relative Intensity
55.01877	0.8
57.03434	0.7
59.01381	12.9
61.98833	3.0
67.01897	0.8
69.03448	0.8
69.55192	1.7
69.55620	1.3
71.01392	7.8
72.99310	0.8
73.02953	2.5
74.99118	0.6
75.00880	1.4
77.03237	0.3
79.01913	1.1
81.03462	0.4
83.01392	1.8
85.02966	3.4
87.00886	1.1
87.70026	0.3
89.02444	1.6
93.03471	30.4
94.03813	0.6
95.01389	1.8
96.99288	0.3
97.02956	1.1
99.00882	0.6
101.02454	4.3
107.01408	5.5
107.05048	0.5
109.02995	0.7
110.00107	0.4
111.00912	2.0
113.02454	3.1
119.03535	0.8
123.00900	13.5
124.01712	0.7
125.02468	37.2
126.02845	0.9
127.00376	0.6
131.03502	0.7
135.04553	0.8
136.98854	1.3
137.02443	0.4
139.00395	3.7
139.04089	0.7
140.01195	3.0
141.01939	2.0
151.00401	10.4
151.03992	0.6
153.01974	0.7
153.09253	0.4
161.04581	1.2
163.04077	0.4
165.05576	0.4
167.03612	0.6
168.00632	3.3
169.01450	51.8
170.01796	1.6
171.10287	1.7
173.11923	0.4
179.03511	0.5
185.11845	1.4
195.03026	0.4
195.06659	0.6
211.02446	0.9
217.63391	0.3
229.05113	0.6
243.12465	0.4
253.03520	0.8
275.15018	1.8
313.05661	12.4
314.06030	0.9
347.17334	0.7
389.25793	0.3
407.09863	100.0
407.26602	4.5
408.10184	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	406.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
61.64882	0.4
61.98832	100.0
70.24458	0.4
71.74285	0.4
73.42348	0.4
91.39839	0.4
96.96062	0.4
116.26868	0.4
150.47522	0.4
156.19746	0.4
157.50902	0.4
163.40628	0.4
192.26620	0.4
336.38928	0.4
343.28751	0.7
344.98074	0.4
406.31589	0.4
407.33200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2133
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01869	1.6
57.03447	1.6
58.00576	1.1
59.01381	27.2
61.98834	9.9
63.99269	0.5
65.54461	0.5
71.01389	20.6
71.11284	0.7
71.11617	1.0
72.99314	1.9
73.02959	3.7
78.57930	0.5
83.01399	2.4
85.02964	7.5
85.06606	2.8
87.00887	1.6
89.02455	11.4
95.01398	1.8
99.00896	3.5
101.02457	12.9
107.05006	0.5
113.02462	7.5
119.03503	3.5
119.05072	0.6
125.02485	0.7
138.77693	0.5
155.14464	5.6
161.04565	0.5
163.04089	0.6
179.05626	0.5
181.12436	0.6
181.16013	2.9
199.11649	0.9
199.13412	13.8
200.13818	0.9
216.00598	0.7
223.09370	0.5
225.14981	3.9
243.12402	2.2
271.99649	1.5
273.00342	0.9
305.51648	0.6
333.25638	0.5
361.20294	0.9
364.52240	0.6
405.04596	1.6
405.21295	100.0
406.21579	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	405.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69600	0.3
59.01380	100.0
60.01713	1.2
60.35473	0.3
61.98832	4.0
71.01387	0.5
85.02974	0.4
95.43746	0.3
96.96001	0.5
98.19791	0.5
101.02473	0.4
113.02598	0.3
157.66484	0.3
161.04640	0.4
224.07687	0.3
263.07556	0.3
268.51163	0.3
271.99765	0.8
273.00589	0.4
299.26010	0.8
345.30087	6.0
346.30493	0.5
404.67920	0.5
405.04684	0.9
405.18491	0.6
405.22269	0.5
405.26938	3.3
406.26999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.1
58.00611	1.3
58.02976	15.7
59.01379	34.6
60.01708	2.5
61.01801	1.4
61.98832	1.6
66.03479	1.8
69.53636	11.3
70.02952	1.5
71.01035	1.3
71.01394	17.1
71.59721	1.1
72.01720	2.7
72.99316	1.5
73.02960	1.5
74.02058	2.3
74.02480	32.5
81.04588	1.7
82.03000	5.7
83.01389	2.2
84.04570	1.5
85.02955	4.3
86.02491	13.6
86.06123	1.8
87.00924	1.3
87.02753	1.8
87.05650	5.8
89.02453	13.5
90.02793	3.2
95.01398	1.6
96.04594	1.7
97.04099	4.4
99.05663	26.0
100.05972	1.4
101.02448	10.0
101.07220	5.2
102.02802	1.9
102.05630	3.9
107.06172	1.6
109.04096	4.2
109.07745	1.5
111.05663	2.6
112.04056	3.9
113.02477	7.3
113.03615	1.2
114.02827	1.7
119.03526	4.9
123.05695	2.3
124.04027	1.9
125.03591	4.6
127.05177	5.5
128.03560	72.5
129.03908	3.5
130.03961	1.8
133.06953	17.4
135.05658	9.0
135.98444	1.4
139.05141	1.2
139.07686	1.8
140.08005	1.6
141.06747	5.7
143.04646	100.0
144.05003	3.8
145.05101	2.7
145.06241	3.9
145.52443	1.0
146.04604	9.4
149.07214	1.1
153.06700	7.8
161.04602	4.0
162.00319	4.2
166.09906	4.8
167.04631	5.3
167.08253	5.7
170.03313	1.9
171.04115	2.6
174.79170	1.3
179.04601	20.4
180.04944	2.5
181.06296	2.6
184.10995	1.7
185.05794	2.8
192.07831	2.2
197.05708	4.3
210.08894	20.7
220.10301	1.6
241.14397	1.9
242.14867	5.3
243.14734	2.3
244.15421	4.1
254.07814	49.3
255.08180	3.2
257.12958	1.5
259.07272	2.6
269.13104	1.3
272.08859	55.3
273.09128	3.6
274.09412	2.7
277.12357	6.5
283.04742	1.6
287.10406	4.4
288.22821	1.1
290.06390	1.9
306.07901	1.9
307.07867	2.9
308.07428	25.8
309.07718	1.6
313.08344	5.4
313.29398	1.3
331.09317	2.0
331.13229	1.7
347.17072	1.6
388.15427	10.3
406.16595	72.5
406.21616	13.2
407.06128	2.6
407.10931	4.7
407.16879	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.8
56.99786	0.6
57.03450	9.1
58.00592	4.4
59.01381	100.0
60.01702	0.9
61.98829	5.4
67.01899	0.6
69.03463	1.4
69.50755	0.5
69.72029	3.9
71.01387	91.5
71.05018	4.2
72.01749	1.0
72.99311	4.7
73.02951	11.3
74.03319	0.8
75.00875	1.1
79.95728	0.5
81.03473	1.0
83.01402	6.9
83.05036	1.2
84.02172	2.0
85.02960	25.2
86.03268	0.6
87.00881	5.9
88.98801	1.9
89.02454	82.5
90.02798	2.0
95.01393	6.9
95.01897	0.7
95.04996	1.2
96.96024	2.7
97.02972	6.6
98.03743	1.1
99.00893	5.0
99.04538	1.2
101.02457	56.8
101.06094	9.8
102.02788	0.9
109.03003	0.7
109.06601	5.1
111.00935	2.7
113.02464	39.1
113.06066	1.3
114.02797	1.2
116.92850	0.6
119.03525	38.2
119.05005	15.1
120.03896	0.9
120.99641	0.8
121.05333	1.5
122.03699	0.9
122.06151	5.3
123.00911	0.7
123.08180	10.6
124.64062	0.6
125.02471	2.0
125.06059	2.7
129.01921	0.7
131.03528	4.9
135.08203	1.6
136.03964	0.6
136.05269	0.7
137.06093	0.8
137.09772	2.6
138.06879	30.2
139.00406	0.9
139.07755	2.7
141.09244	18.6
143.03523	7.7
143.04567	1.2
149.04550	2.7
151.11305	2.0
153.01952	2.4
153.09233	33.8
153.12772	0.7
154.09572	1.7
159.02969	3.5
161.04572	25.3
162.04965	0.9
163.04022	8.7
163.11302	0.7
165.09248	1.6
168.04274	0.9
177.12833	1.9
179.05632	14.3
181.12354	5.5
182.12590	0.6
195.13893	6.1
205.03485	0.6
205.12355	1.2
207.13908	2.6
213.47656	0.6
223.13324	0.7
225.14967	6.8
233.10123	0.7
241.00264	8.1
241.14444	0.8
243.15999	74.0
244.16397	4.3
245.12898	3.4
260.06729	0.6
289.11896	3.5
290.12057	0.6
326.95908	0.6
333.11017	1.1
405.04791	1.3
405.13708	4.6
405.21301	93.3
406.16455	0.9
406.21671	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	405.2131
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01873	0.9
57.03431	1.0
57.87415	0.6
58.00589	1.8
59.01381	57.7
60.01686	0.7
61.98834	7.2
69.03452	10.2
71.01385	42.0
71.05022	0.9
71.76344	0.9
72.01732	0.6
72.99300	2.5
73.02944	2.3
75.00866	0.7
79.01903	1.9
81.03457	1.0
83.01399	2.4
85.02962	6.1
86.19894	0.6
87.00908	1.3
87.04507	0.6
89.02452	30.0
90.49027	0.6
93.03462	22.1
95.01400	3.7
97.02960	5.4
99.00896	1.0
101.02454	18.9
103.32738	0.6
107.01410	5.1
108.02178	2.3
109.02944	2.0
113.02471	11.2
114.02763	0.8
117.85093	0.7
119.03527	12.0
119.04967	1.4
120.99647	0.9
121.02959	1.8
123.00905	2.5
123.04583	0.9
125.02457	15.3
127.11292	1.0
131.03493	1.0
135.04512	1.0
136.01666	1.7
137.02489	4.0
139.11276	2.4
142.34602	0.7
143.03503	1.0
147.04504	0.7
149.04512	0.8
150.03253	0.9
151.00391	11.7
152.01025	0.9
153.01917	1.8
153.12881	7.0
161.04556	1.4
163.03999	2.3
169.01382	0.6
177.01875	1.9
179.05634	4.4
181.12398	1.9
183.10300	3.1
197.06096	0.8
199.07654	5.4
199.13380	5.3
225.11372	1.3
225.14975	5.2
241.00131	0.9
242.05862	14.3
243.06601	17.6
243.12302	8.6
243.16080	1.0
244.06917	1.0
271.99619	1.9
273.00449	1.0
280.85614	0.7
285.07718	1.2
285.13342	1.9
297.06003	3.2
315.14401	0.7
345.15521	2.6
345.22772	0.9
387.20065	1.0
387.27563	1.0
405.04337	1.9
405.12326	16.7
405.21234	100.0
406.12241	2.0
406.21561	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	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01882	1.0
57.03444	1.3
58.00598	0.8
59.01380	83.5
60.01739	1.1
61.98830	9.2
68.20243	0.5
71.01388	17.6
71.75844	0.8
71.76222	0.7
72.99294	1.0
73.02949	6.8
75.00885	1.4
77.92670	0.5
80.83147	0.5
83.01405	2.3
85.02953	8.4
87.00910	0.9
89.02444	6.1
95.01405	1.8
99.00919	1.8
101.02455	15.3
105.13675	0.6
109.54817	0.5
111.00900	0.6
113.02446	6.2
119.03557	2.7
119.05044	1.3
120.99701	0.6
121.02985	0.9
123.04561	0.7
125.02500	1.0
137.09756	2.6
149.02504	0.6
149.09480	0.5
150.03242	1.5
155.10799	18.0
155.12022	1.1
155.55127	0.6
156.11142	1.1
159.03098	0.7
161.04573	3.1
165.05527	1.1
169.01509	0.6
181.12300	0.6
183.10342	0.6
195.06631	0.7
199.07706	4.1
199.09801	1.8
223.08344	1.8
225.15082	0.8
243.12398	2.3
243.16159	0.9
271.99518	1.5
281.06729	1.1
297.13446	0.6
329.10794	0.6
345.18979	3.0
387.20200	4.1
405.04782	2.1
405.21487	100.0
406.21899	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
58.00576	0.8
59.01380	31.6
61.98819	0.7
69.49834	0.5
71.01392	5.2
71.46778	0.7
71.49990	0.5
73.02953	2.3
75.00883	0.5
83.01385	0.7
84.40448	0.4
85.02954	1.5
87.00869	0.5
89.02454	3.2
95.01398	0.7
99.00915	0.8
101.02450	3.3
109.06592	1.2
113.02460	2.4
119.03508	1.2
119.05001	0.6
127.07679	2.4
131.03561	0.7
137.02492	0.7
139.03998	0.5
139.11307	18.7
140.11671	0.7
141.34560	0.5
149.04544	1.1
163.03998	0.5
163.11267	1.3
167.10724	0.5
181.12358	10.2
182.05722	0.5
183.10281	22.9
184.10582	1.4
191.05498	0.7
199.13422	3.0
207.10323	0.6
225.11324	7.1
227.12927	0.7
232.04010	0.4
243.12367	100.0
244.12733	5.9
249.11359	1.1
254.07184	0.5
269.09305	0.6
271.99567	0.4
281.09247	1.3
285.13498	7.2
287.14957	0.8
293.09189	0.6
296.07932	0.4
311.10422	3.6
312.10376	0.5
314.71536	0.5
315.14465	1.2
329.11459	2.6
345.15506	6.3
357.13446	1.9
405.16904	8.9
405.22293	3.9
405.25482	1.2
406.17505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.6
59.01380	100.0
61.98837	15.8
68.91552	1.7
69.03490	2.3
71.01380	15.0
71.72035	2.8
72.99319	1.9
73.02951	5.0
75.00873	6.5
85.02972	7.2
89.02454	6.5
95.18104	1.7
96.96008	2.5
101.02455	9.9
109.06628	4.5
111.85349	1.7
112.76388	1.6
113.02435	8.4
119.03522	2.5
119.05021	3.6
120.99660	2.9
123.08162	2.9
125.02441	1.8
127.07668	20.5
134.64360	1.6
135.06709	3.6
137.02434	2.0
139.00436	2.0
139.11339	5.9
141.09189	2.0
153.05589	2.6
153.47057	1.5
161.04515	2.6
163.04068	4.1
181.12361	4.8
183.10316	5.6
187.09895	1.9
193.01436	1.6
199.13400	2.7
203.09190	2.1
209.11836	5.2
216.00603	2.5
217.40860	1.6
225.11319	3.5
225.14932	5.1
227.12923	18.9
234.06116	1.8
243.06584	2.3
243.12346	23.9
244.00153	2.3
245.00943	2.8
249.06166	1.8
251.11218	2.6
263.58688	1.9
269.14102	3.1
271.99561	4.8
273.00333	2.4
285.13510	4.3
287.15005	7.8
299.13483	2.6
329.11237	2.2
345.15506	5.7
361.09320	2.5
387.20367	4.9
405.04645	6.8
405.17157	22.3
405.21320	55.0
405.25308	7.4
406.17133	3.1
406.21677	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	405.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42053	0.6
55.01883	0.7
58.00605	3.0
59.01381	29.5
60.99313	0.8
61.98835	29.2
63.99269	1.2
67.01899	0.6
68.99807	0.6
69.93379	3.1
71.01389	27.6
72.99322	2.2
73.02953	2.6
74.99108	1.3
79.95750	2.5
80.96529	2.7
83.01398	1.2
84.25088	0.5
85.02968	6.0
87.00894	7.9
88.98814	2.1
89.02456	28.0
93.03474	1.6
95.01401	2.3
96.96024	24.1
96.96971	0.8
97.02971	0.7
99.00877	2.0
99.72256	0.6
101.02459	15.5
109.02955	1.2
111.00911	1.5
113.02466	8.6
113.06110	0.6
119.03533	11.3
119.05045	100.0
120.05370	4.4
121.02956	1.0
123.00890	1.2
125.02460	3.0
128.98737	0.6
129.01981	0.8
131.03497	0.8
135.04605	0.8
136.01680	1.9
137.02461	1.8
138.07014	0.7
138.97098	1.0
139.99339	0.7
143.03525	2.2
143.27637	0.6
149.02473	6.7
149.04561	0.7
150.97192	0.7
151.04057	1.6
152.04788	1.8
153.01984	1.6
153.05507	0.6
153.09233	1.2
161.04605	6.1
163.04033	62.9
164.01167	2.3
164.04420	3.5
165.01955	25.1
166.96594	1.5
169.01428	6.1
173.04547	1.5
177.01955	35.6
178.02350	2.1
179.03522	41.7
179.05571	3.1
180.04301	28.8
180.05954	1.1
181.04671	0.6
183.06639	0.8
191.03529	1.3
191.05713	1.0
192.04306	16.2
193.04808	1.8
194.05884	15.8
195.03070	4.3
195.06645	88.1
196.06972	4.8
207.06673	5.9
210.05345	5.2
225.07701	23.7
226.07990	1.2
226.20059	0.6
241.00246	56.1
242.00531	1.7
243.16013	2.0
315.07233	0.7
343.06659	4.9
357.11917	8.0
358.12134	1.0
387.12918	3.3
405.05042	10.6
405.10501	2.4
405.21298	2.0
406.05374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
57.28320	0.4
59.01379	82.7
60.01712	1.0
60.99310	3.1
61.98833	5.1
70.59328	0.8
70.59718	1.0
71.01385	7.8
72.99314	1.3
73.02954	0.9
75.00868	0.4
79.95734	2.0
80.96519	1.7
83.01394	1.0
85.02980	2.0
87.00888	1.6
88.98814	21.7
89.02450	6.8
91.42812	0.3
93.03453	0.7
95.01405	0.7
96.96020	17.7
99.00869	0.7
101.02457	5.7
110.02506	0.7
111.00921	1.0
113.02458	3.9
116.92873	0.9
119.05040	100.0
120.05379	4.5
125.02436	0.6
137.02457	0.5
138.06880	0.6
138.97054	1.6
139.99400	0.8
143.03535	0.8
149.09819	0.4
150.97060	0.4
153.01953	1.9
153.05592	1.2
153.09200	1.3
155.01717	0.4
161.04535	1.2
163.04024	73.6
164.04375	3.0
166.96567	0.6
167.03477	0.4
167.10796	1.0
168.04295	3.2
179.05615	0.9
183.06639	12.5
184.06950	0.7
225.03886	0.5
237.65096	0.4
241.00232	45.9
242.00525	2.3
243.08665	1.0
243.15968	2.9
293.01117	0.4
365.61679	0.4
376.54922	0.4
405.04947	6.9
405.12955	0.6
405.21347	1.6
406.05225	0.7
417.23685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.3
58.95532	0.3
59.01378	3.2
61.98836	3.1
70.46121	1.2
71.01392	5.8
72.99319	0.3
73.02959	1.2
79.95741	0.6
80.96526	0.5
83.01392	0.7
85.02951	2.6
87.00886	5.0
87.68816	0.3
88.98808	0.3
89.02465	1.3
95.01421	1.3
96.96005	4.4
99.00888	0.4
101.02464	3.3
107.01401	0.7
108.02141	0.3
109.02948	0.4
111.00892	1.2
113.02463	2.5
119.05041	20.2
120.05383	1.1
121.02997	0.6
123.00902	3.0
124.01739	0.5
125.02473	3.0
129.01984	0.6
136.01685	2.4
137.02425	2.0
138.03270	0.3
139.00378	1.1
141.01920	0.4
149.02486	2.1
150.03233	0.5
151.00392	2.0
151.04037	2.6
152.04779	0.7
152.24837	0.3
153.05649	0.3
159.02985	0.5
161.04573	4.4
163.04030	11.9
163.05394	0.7
164.01166	4.9
164.04367	0.8
165.01945	26.5
165.05627	0.7
166.02322	1.1
168.00606	0.9
169.01440	4.5
171.27991	0.3
171.29668	0.3
175.04132	0.3
177.01935	10.9
178.02550	1.1
179.03510	52.6
180.04286	31.3
180.05980	0.7
181.04694	1.6
192.04289	4.8
193.05022	1.2
194.05856	19.5
195.06630	100.0
196.06975	5.4
207.06555	1.6
210.05312	2.1
225.07675	19.3
226.08064	1.2
237.07680	0.7
241.00233	11.1
242.00482	0.5
284.48337	0.3
298.41122	0.3
313.05804	0.4
357.11896	8.9
358.12064	0.6
405.05038	1.9
405.10284	18.0
406.10632	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	405.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
55.38077	0.4
59.01380	10.0
61.98831	1.7
69.66587	3.6
71.01388	5.1
72.99289	0.5
73.02951	0.7
81.36890	0.4
85.02964	1.2
87.00839	0.6
89.02452	3.9
93.03447	0.7
95.01401	0.7
96.96024	0.6
98.20655	0.9
101.02469	3.1
113.02471	0.9
119.03508	1.7
119.05063	1.3
120.04601	0.7
120.99652	1.5
122.03739	0.8
122.06152	0.7
123.04531	0.5
125.02471	0.6
128.21410	0.5
137.02475	1.3
143.03497	0.4
148.04068	1.2
150.05588	0.9
160.04102	0.8
161.04668	0.9
162.05695	0.8
163.04028	1.0
179.03519	0.6
179.05696	0.7
183.22560	0.6
189.06694	0.6
197.11784	0.7
210.05606	0.7
210.09285	0.5
211.86247	0.4
220.06239	0.6
225.06618	0.7
226.07448	0.5
227.05884	1.6
227.08192	0.9
227.11885	0.5
228.06580	2.2
228.10297	0.7
237.06689	1.3
237.10577	0.4
238.05270	0.5
238.07483	1.8
239.05930	1.0
239.08249	1.3
240.05450	1.9
240.10277	0.8
241.00482	0.6
241.07610	2.3
243.07703	1.1
243.12448	2.0
249.06650	0.5
250.07356	1.0
251.08208	0.8
252.09055	1.2
253.07436	0.7
253.09853	1.5
255.07677	1.8
255.11423	1.6
256.06186	1.7
256.09729	1.2
257.06842	1.6
257.09326	0.7
258.06274	0.9
263.08328	1.2
264.08896	0.7
265.06235	1.6
265.09805	4.1
266.06757	2.9
267.07736	10.3
267.11328	3.8
268.09714	1.9
269.09341	1.3
270.07660	0.6
271.08231	0.7
271.99521	1.4
273.00470	1.1
273.08829	1.8
275.08188	1.3
277.05991	0.6
278.06915	1.9
279.07883	2.2
280.08505	1.1
281.06253	1.4
281.09305	28.4
282.09750	3.0
283.07233	1.4
283.10864	5.0
284.11087	0.6
285.09775	0.4
285.12509	7.3
286.10593	2.9
291.07773	1.3
292.08508	1.4
293.09311	13.4
294.09674	1.3
295.07269	10.8
296.08020	13.2
297.08478	1.8
299.10422	0.6
301.12094	0.7
309.08881	0.6
311.10373	100.0
312.10703	10.4
313.82065	0.5
328.07025	0.8
329.11423	28.3
330.11713	2.8
343.08490	0.6
343.13013	0.7
361.82672	0.5
365.76639	0.5
373.10431	6.9
374.10742	0.7
387.12134	0.7
405.04559	1.5
405.12326	4.8
405.16953	0.8
405.20740	3.9
405.25262	1.4
406.21661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1194
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01381	7.5
61.98837	4.7
65.00332	0.7
65.03960	2.3
65.81834	0.4
67.01890	1.4
68.99802	0.6
71.01393	2.7
71.74470	0.4
71.74833	0.4
73.02944	0.9
73.13274	0.3
75.00874	1.5
80.02672	0.8
85.02951	1.2
86.82221	0.3
87.00903	0.4
89.02440	0.6
91.01905	40.9
92.02247	0.7
93.03470	0.6
93.17807	0.4
101.02459	1.6
107.05056	2.4
108.02198	2.9
109.02973	27.0
110.03320	0.5
113.02444	0.6
119.03483	0.4
119.05045	1.2
121.02980	1.2
123.00880	0.6
123.04543	0.7
125.02467	0.5
131.05087	0.6
133.02988	1.3
135.00906	100.0
136.01155	3.0
137.02466	4.2
139.11263	0.6
147.04585	0.5
149.02458	1.4
151.03911	0.6
153.01958	89.4
154.02303	2.5
161.02449	0.7
161.04570	0.7
163.04030	1.2
174.01747	1.0
175.04012	2.7
177.01935	3.3
178.02698	0.4
181.08745	0.5
183.10271	0.6
189.01929	0.5
193.05132	0.5
197.06105	1.2
225.05594	1.2
237.06097	0.6
243.06618	14.4
243.12376	1.5
243.16087	0.6
244.06911	0.9
264.20673	0.4
279.07199	0.7
285.13586	0.6
297.06161	18.3
298.06592	1.0
307.15570	0.6
328.89716	0.4
348.15594	0.4
361.09216	0.5
405.11880	16.5
405.16425	0.6
405.21042	1.2
405.29230	0.6
406.12225	1.5
406.28091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
57.03436	0.5
58.00589	1.2
58.05394	0.4
59.01379	11.7
61.98831	10.1
67.01910	1.0
68.99833	0.4
69.03459	0.8
71.01384	11.3
71.01759	0.8
71.37027	1.1
72.99316	1.0
73.02957	2.5
79.01904	1.1
79.95732	2.5
80.96532	2.0
83.01414	2.6
85.02962	4.5
87.00879	4.4
88.98812	0.9
89.02456	5.5
91.04006	0.7
93.03489	1.0
95.01412	1.4
96.96020	19.4
97.02967	1.5
99.00880	1.2
101.02459	9.7
101.17816	0.5
107.01398	3.9
109.02919	0.5
111.00909	2.5
113.02470	5.5
119.05042	94.0
120.05376	4.1
123.00900	17.3
124.01736	0.4
125.02461	16.1
126.02799	0.5
127.00373	0.7
129.01991	0.5
136.01691	0.9
136.98798	1.0
137.02461	1.1
138.97070	1.4
139.00380	4.4
139.99403	0.5
140.01186	2.4
141.01981	3.5
143.03519	1.1
145.02896	0.6
149.02463	1.9
150.03210	1.7
150.97066	0.6
151.00398	15.5
151.04030	1.1
152.00757	0.6
153.01982	1.1
155.01758	0.5
159.03046	0.5
161.04562	3.9
163.04025	58.3
164.01089	2.0
164.04376	3.4
165.01944	14.1
165.05591	4.0
166.02328	0.5
166.96548	0.8
166.99890	0.5
168.00681	3.8
169.01442	23.2
170.01765	0.9
177.01953	4.7
178.02695	0.5
179.03510	24.5
180.04289	16.9
181.04713	1.1
183.06625	0.6
192.04294	1.7
193.05006	0.9
194.05841	9.5
195.02991	1.4
195.06633	52.3
196.07004	2.3
207.06660	0.7
210.05283	1.2
211.02429	1.5
225.07695	8.8
241.00237	54.2
242.00577	1.6
243.16039	1.1
253.03362	1.0
253.09355	0.7
271.04556	0.6
275.01736	0.7
290.73462	0.5
313.05597	4.0
349.63232	0.5
357.11938	5.2
358.11929	0.5
400.09787	0.4
405.05014	11.7
405.10284	100.0
406.05585	0.8
406.10669	9.2
407.42273	0.4
408.78284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.5
61.98837	4.7
65.00332	0.7
65.03960	2.3
65.81834	0.4
67.01890	1.4
68.99802	0.6
71.01393	2.7
71.74470	0.4
71.74833	0.4
73.02944	0.9
73.13274	0.3
75.00874	1.5
80.02672	0.8
85.02951	1.2
86.82221	0.3
87.00903	0.4
89.02440	0.6
91.01905	40.9
92.02247	0.7
93.03470	0.6
93.17807	0.4
101.02459	1.6
107.05056	2.4
108.02198	2.9
109.02973	27.0
110.03320	0.5
113.02444	0.6
119.03483	0.4
119.05045	1.2
121.02980	1.2
123.00880	0.6
123.04543	0.7
125.02467	0.5
131.05087	0.6
133.02988	1.3
135.00906	100.0
136.01155	3.0
137.02466	4.2
139.11263	0.6
147.04585	0.5
149.02458	1.4
151.03911	0.6
153.01958	89.4
154.02303	2.5
161.02449	0.7
161.04570	0.7
163.04030	1.2
174.01747	1.0
175.04012	2.7
177.01935	3.3
178.02698	0.4
181.08745	0.5
183.10271	0.6
189.01929	0.5
193.05132	0.5
197.06105	1.2
225.05594	1.2
237.06097	0.6
243.06618	14.4
243.12376	1.5
243.16087	0.6
244.06911	0.9
264.20673	0.4
279.07199	0.7
285.13586	0.6
297.06161	18.3
298.06592	1.0
307.15570	0.6
328.89716	0.4
348.15594	0.4
361.09216	0.5
405.11880	16.5
405.16425	0.6
405.21042	1.2
405.29230	0.6
406.12225	1.5
406.28091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17337	0.3
59.01385	7.7
60.01722	0.6
61.98833	100.0
97.71916	0.4
98.20569	0.9
138.17870	0.4
195.18364	0.4
361.23834	0.7
405.22284	0.7
405.27005	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	405.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89643	0.3
55.01871	0.3
59.01379	1.3
61.98835	8.3
70.46885	1.1
71.01386	1.8
71.01745	0.3
72.71666	0.3
72.99297	0.4
73.02952	0.4
79.95741	2.6
80.96528	2.1
83.01407	0.6
85.02952	1.0
87.00890	0.6
89.02454	1.0
93.03467	0.7
96.96021	23.8
98.19859	0.4
99.00904	0.4
101.02452	2.5
105.02015	0.3
113.02472	1.9
118.52014	0.3
119.05045	100.0
120.05374	4.3
138.97086	1.2
146.00662	0.3
161.04611	0.4
163.04031	58.5
164.04410	2.8
166.96532	0.9
180.98058	0.5
184.69604	0.3
195.06705	0.4
239.34892	0.3
241.00238	60.0
242.00478	1.8
243.15897	0.5
317.74716	0.3
405.04968	11.5
405.21432	0.6
406.05243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.4
59.01378	4.3
70.22578	1.3
71.01381	2.9
72.99304	0.3
73.02967	0.5
79.95739	3.1
80.96509	2.0
83.01407	0.6
84.43604	0.3
85.02959	1.1
87.00889	0.9
89.02441	2.4
93.03445	0.5
95.01413	0.3
96.96019	21.1
97.28563	0.3
101.02438	3.0
101.06108	0.4
113.02469	1.9
116.38130	0.3
119.05041	100.0
120.05375	4.3
123.08201	0.4
125.06037	0.3
131.03506	0.3
138.97093	1.5
141.09230	1.5
143.03590	0.4
149.09755	0.4
150.97108	0.4
163.04024	61.3
164.04388	2.9
166.96574	1.4
167.10759	0.7
169.01401	0.3
180.98100	0.5
181.12343	0.4
183.10246	1.2
200.74634	0.3
241.00230	57.2
242.00583	2.1
243.15994	2.5
261.85001	0.3
375.07678	0.4
405.04935	10.7
405.12933	1.5
405.21439	1.5
406.05356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30222	0.5
57.03447	0.5
59.01378	100.0
60.01718	1.1
61.98835	16.8
69.39049	4.3
69.58578	0.4
71.01392	0.5
71.04998	0.6
71.55457	0.5
72.99297	0.6
73.80178	0.4
83.05032	0.4
84.41517	0.5
98.19196	0.4
121.10202	0.4
279.75580	0.5
308.49722	0.4
325.83926	0.5
343.28564	3.6
344.29178	0.6
359.10590	1.9
374.47519	0.5
403.09641	0.9
403.21069	0.8
403.25198	3.7
403.29935	0.6
403.54337	0.4
404.26312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45722	0.2
54.02463	0.2
59.01380	0.8
61.98833	100.0
69.97905	0.6
69.98335	0.5
71.01400	0.7
79.95790	0.3
88.26685	0.2
89.02470	0.5
91.86927	0.2
92.07172	0.2
96.96034	2.8
101.02504	0.5
113.02504	0.3
119.05054	12.1
163.04042	9.2
202.38770	0.2
224.06473	0.3
241.00230	8.1
337.78653	0.2
344.11810	0.5
403.39676	0.2
404.12851	0.8
405.05130	1.5
405.21454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93796	0.1
53.25566	0.1
59.01380	0.8
61.98834	100.0
62.98537	0.2
68.71042	0.1
70.37086	0.7
71.01395	0.5
79.95755	0.2
89.02458	0.4
89.03710	0.2
96.96041	1.1
101.02472	0.3
111.02045	0.2
113.02496	0.2
119.03629	0.2
119.05051	5.4
119.05901	0.3
163.04033	3.6
179.05705	0.2
195.06792	0.2
241.00250	3.6
241.02652	0.2
253.83546	0.2
314.03024	0.2
337.21301	0.2
344.11841	0.3
345.06943	0.3
404.12592	0.3
405.05191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98830	100.0
69.44537	1.9
69.44894	0.3
72.85678	0.2
130.42647	0.2
163.66383	0.2
165.04099	0.3
404.10468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.15
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	10.1
59.01379	2.3
61.98820	2.2
66.03493	1.3
70.02995	1.0
70.20393	3.4
71.01392	1.0
72.00909	1.5
74.02479	19.1
81.04588	1.0
82.02988	2.4
84.04592	0.8
85.04072	0.7
86.02487	8.8
86.06113	0.9
86.99121	1.2
87.05644	4.7
90.00211	2.6
97.04092	2.8
99.05656	16.1
101.02473	1.2
101.07224	3.1
102.05630	1.9
103.09426	0.8
107.06190	0.9
109.04096	2.2
109.07738	1.1
111.05657	1.4
112.04066	2.5
113.03581	1.2
116.01786	1.6
120.01272	0.9
121.04111	0.7
123.05651	1.3
124.04052	0.9
125.03595	2.4
127.05169	2.8
128.03555	48.5
129.03941	0.9
129.14644	0.6
131.04645	1.2
135.05672	4.1
137.07243	1.2
141.06732	5.1
143.04645	70.3
144.04987	2.0
145.06207	4.1
146.04628	5.5
153.06697	5.2
160.00761	21.8
161.01060	0.7
166.09880	3.4
167.04594	4.4
167.08284	2.5
171.07785	1.3
177.03406	7.0
179.04631	13.4
181.06253	1.4
184.10960	1.1
185.05707	2.0
192.07764	1.0
197.05692	1.9
198.08850	1.0
210.08861	10.6
242.07872	1.3
254.07837	18.7
272.08875	30.5
273.09232	1.7
288.06567	9.1
289.06894	0.8
306.07669	100.0
307.07999	6.8
310.03876	0.7
404.14612	2.4
419.20837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.3
58.44473	0.3
59.01381	100.0
60.01714	1.0
61.98832	7.9
61.99137	0.5
69.95153	1.8
71.01404	0.4
72.17729	0.3
93.07126	1.0
97.53426	0.3
171.71001	0.3
200.41751	0.3
213.18602	1.4
224.55948	0.3
241.14554	0.5
343.28464	2.7
371.70819	0.3
383.78049	0.3
403.20529	0.4
403.25058	2.3
403.29190	0.5
404.25165	0.3
420.75909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29704	0.2
55.01877	1.1
56.99811	0.3
57.03443	3.9
58.00586	1.9
59.01378	39.9
60.01717	0.5
61.98834	1.5
68.11023	0.2
69.03464	0.5
71.01384	28.7
71.02684	0.4
72.01750	0.3
72.99312	2.1
73.02945	3.9
75.00852	0.2
81.03481	0.6
83.01390	2.0
83.05038	0.3
85.02960	7.9
86.03278	0.3
87.00879	1.1
89.02451	22.1
90.02763	0.2
93.03463	6.1
93.82429	0.2
95.01394	2.5
95.05060	0.6
96.04527	0.3
97.02964	1.0
97.06596	0.7
99.00892	1.3
99.04493	0.4
101.02454	16.4
102.02803	0.5
109.06593	0.9
110.03738	0.3
111.00879	0.2
111.04568	0.4
113.02464	11.3
113.06085	0.5
119.03514	8.5
121.06654	0.6
123.04568	0.4
123.08172	1.4
124.05297	2.5
125.02508	0.5
125.06082	0.4
131.03535	0.9
135.08200	0.5
136.05304	1.1
137.02460	14.8
137.09718	0.8
138.02814	0.6
138.06914	0.3
139.07669	16.3
140.08006	0.5
141.09193	0.4
143.03557	1.5
143.04539	0.4
146.31319	0.2
149.09735	3.1
151.07660	5.8
151.11267	0.4
152.08029	0.5
153.09245	0.5
159.03020	0.8
161.04568	7.2
161.09735	2.1
162.04910	0.3
163.07645	0.7
163.11322	0.5
164.08360	0.3
165.09204	0.5
167.10806	0.7
169.08710	0.7
175.07700	0.2
175.11298	0.6
177.09224	1.0
179.05634	1.7
179.10782	6.7
180.11139	0.6
181.08698	0.3
191.10875	0.2
193.12332	2.8
197.11823	1.4
203.10861	0.5
205.12302	1.5
211.13361	0.4
221.11880	1.1
223.13394	7.9
224.13667	0.5
225.05132	0.2
237.09187	0.3
241.14441	100.0
242.14763	6.8
253.04668	0.7
253.08727	0.4
260.76761	0.2
261.00336	0.4
285.13470	1.0
299.09131	0.3
305.04300	0.3
315.08762	0.5
352.89810	0.2
403.11328	0.5
403.19711	19.2
404.20001	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1973
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
53.68534	0.1
54.03435	0.2
55.01878	1.0
57.03447	3.9
58.00597	1.8
58.02990	0.8
59.01381	46.1
60.01716	0.6
61.98816	0.2
65.53327	0.2
69.03471	0.4
70.08107	1.0
71.01388	32.4
71.05013	0.2
71.34795	0.2
72.00945	0.2
72.01730	0.4
72.99310	1.8
73.02953	4.2
74.02484	1.7
75.00889	0.2
79.49552	0.2
81.03482	0.5
82.03022	0.2
83.01398	2.1
83.05045	0.3
84.02167	0.3
85.02959	8.2
86.02483	0.6
87.00871	1.3
87.05648	0.4
89.02457	24.6
90.00188	0.3
90.02823	0.2
95.01400	3.0
95.05038	0.4
97.02943	1.4
97.04064	0.3
97.06607	0.6
99.00890	1.2
99.04529	0.3
99.05643	1.7
99.08186	0.4
101.02457	17.6
101.07215	0.2
102.02787	0.5
102.05668	0.3
109.04117	0.2
109.06579	0.9
110.03764	0.5
110.27289	0.2
111.04524	0.4
113.02467	11.5
113.06094	0.2
114.02831	0.3
117.97358	0.4
119.03519	8.3
121.06623	0.5
123.00915	0.3
123.04553	0.2
123.05653	0.2
123.08176	1.2
124.05327	2.5
125.02464	0.7
125.06126	0.5
127.05143	0.3
128.03549	4.0
131.03537	0.7
135.05624	0.4
135.08145	0.5
136.05312	1.6
137.06084	0.3
137.09764	0.9
138.06894	0.3
139.07672	18.4
140.08008	0.7
141.06674	0.2
141.09132	0.2
143.03526	1.9
143.04642	5.6
146.04605	0.6
149.04539	0.5
149.09734	3.6
151.07668	5.6
151.11299	0.4
152.08104	0.3
153.06694	0.4
153.09213	0.5
155.07141	0.3
159.03012	1.2
160.00755	1.5
161.04581	8.6
161.09706	1.5
162.04959	0.2
163.07631	0.5
163.11279	0.5
164.08401	0.3
165.09242	0.3
167.04671	0.5
167.08324	0.2
167.10780	0.6
169.08717	0.8
175.11288	0.4
177.03424	0.8
177.09241	1.0
179.04430	0.5
179.05887	1.5
179.10788	7.3
180.11249	0.4
185.05713	0.3
187.02905	0.2
187.50987	0.2
191.10738	0.3
193.12347	2.5
197.11827	0.7
203.10806	0.5
205.12320	1.4
210.08765	1.2
211.13466	0.6
221.11801	0.9
223.13396	7.0
224.13878	0.2
239.12976	0.2
241.14456	100.0
242.14801	7.4
242.17354	0.2
254.07825	1.6
272.08899	3.2
285.13373	0.3
288.06653	1.0
306.07654	9.5
353.54733	0.2
368.99680	0.2
394.26566	0.2
403.12408	1.3
403.19754	14.8
404.20099	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	403.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03448	3.5
58.00595	2.1
58.02975	0.7
59.01378	41.8
60.01702	0.4
61.98811	0.3
69.03463	0.4
69.38792	0.8
69.39219	0.8
70.03001	0.2
71.01385	30.4
72.01726	0.5
72.99307	1.7
73.02947	3.8
74.02474	1.7
81.03489	0.4
83.01394	1.7
83.05067	0.2
84.02180	0.2
85.02958	7.4
86.02473	0.6
87.00871	1.2
87.05640	0.5
89.02452	22.4
90.02796	0.2
95.01395	2.0
95.05032	0.6
97.02952	1.2
97.04057	0.3
97.06590	0.5
99.00891	1.3
99.04586	0.2
99.05663	1.4
99.08187	0.4
101.02453	16.0
102.02803	0.5
103.04036	0.2
107.05091	0.3
109.02979	0.2
109.06615	0.7
110.03741	0.3
111.04525	0.4
111.78140	0.2
112.04089	0.2
113.02463	11.1
113.06110	0.2
114.02815	0.3
116.24368	0.2
117.97348	0.4
119.03514	7.7
120.03829	0.2
121.06621	0.4
123.04519	0.2
123.05631	0.2
123.08179	1.1
124.05307	2.2
125.02458	0.5
125.03552	0.2
125.06091	0.4
127.05147	0.2
128.03557	4.0
131.03511	0.8
135.05699	0.4
135.08220	0.2
136.05293	1.4
137.06114	0.4
137.09712	0.8
138.06885	0.4
139.07668	17.2
140.08025	0.6
141.06755	0.3
141.09245	0.2
143.03517	1.4
143.04637	5.6
146.04582	0.6
149.04546	0.5
149.09721	2.5
151.00479	0.2
151.07661	5.6
151.11295	0.3
152.08017	0.4
153.06737	0.5
153.09190	0.3
155.07184	0.2
159.03032	1.0
160.00719	1.4
161.04575	7.6
161.09706	1.8
162.10060	0.2
163.07596	0.5
163.11333	0.4
164.08470	0.3
165.09184	0.2
166.09866	0.2
167.04643	0.4
167.08218	0.2
167.10753	0.6
169.08713	0.9
175.11322	0.7
177.03363	0.5
177.09224	1.0
178.09676	0.2
179.04446	0.6
179.05898	1.4
179.10780	7.6
180.11136	0.2
181.12495	0.2
187.11177	0.2
191.10730	0.4
193.12344	2.5
197.05710	0.3
197.11826	0.7
203.10889	0.4
205.12358	1.2
206.12695	0.2
210.08771	0.8
211.13426	0.5
221.11810	1.0
223.13382	6.7
224.13741	0.5
241.14441	100.0
242.14781	7.9
250.41771	0.2
254.07788	1.6
272.08896	2.7
285.13348	0.4
288.06711	1.2
298.03854	0.2
306.07651	9.7
403.12454	1.0
403.19717	17.1
404.20071	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	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
58.00590	1.4
59.01381	87.4
61.98829	17.1
69.74902	8.7
71.01384	16.1
71.05036	1.3
72.99318	2.3
73.02948	4.4
75.00887	2.2
80.05040	2.4
83.01390	1.4
83.05015	1.2
85.02944	2.2
87.00864	2.8
87.04549	1.9
89.02463	10.1
93.03498	1.3
95.01391	1.3
96.91792	1.0
99.00847	1.2
99.04508	2.9
101.02411	5.3
113.02451	4.2
115.00409	8.3
115.92097	1.2
119.03528	4.1
122.06138	4.7
125.02462	2.4
127.15999	1.0
130.02953	1.2
132.04561	7.7
133.01445	2.6
137.02498	1.8
137.09717	1.9
139.04012	3.3
139.07645	1.9
147.03271	2.6
148.04074	1.3
149.06114	1.3
150.05630	2.2
151.04024	1.6
153.09215	2.0
158.02461	3.3
160.04089	5.6
161.04613	4.2
161.09746	1.9
162.05641	1.7
163.11279	2.6
165.12846	1.3
174.05482	1.4
175.02647	2.4
176.03551	8.6
179.10732	3.7
181.08739	2.3
184.07651	1.8
190.05122	11.7
192.00706	1.4
195.77513	1.1
197.11853	8.8
198.09264	1.3
204.03094	1.7
205.01390	1.4
209.11804	3.9
211.12407	1.6
212.05864	1.7
212.10849	2.6
215.11969	2.7
217.01283	1.3
220.02563	2.4
223.10028	5.5
223.13319	2.5
224.09488	7.6
225.08096	2.0
225.14934	3.0
226.07509	2.5
227.08168	3.0
227.12903	32.2
228.13220	2.1
238.08757	1.4
239.11836	11.5
240.10252	3.6
241.04958	3.1
241.10892	16.5
241.14537	3.1
242.11081	1.1
250.07481	1.3
251.12805	1.4
253.06247	14.8
254.06773	1.9
255.07828	1.9
255.11343	4.7
256.08344	1.5
262.01251	2.1
265.09818	2.6
267.07599	3.4
268.08566	6.4
269.09201	1.8
269.13974	6.6
281.09305	4.7
283.10883	39.8
284.11209	3.3
287.15002	100.0
288.15323	9.5
309.08789	15.3
310.09100	1.9
313.12808	2.1
314.25742	1.1
315.13397	1.6
327.09863	44.1
328.06174	1.1
328.10175	3.4
341.11539	1.5
343.13940	7.2
343.17700	2.6
353.07724	2.6
359.07758	2.8
359.12308	3.5
371.08853	45.6
372.09198	4.1
376.39084	1.2
385.10706	1.6
403.11417	52.9
403.16083	6.4
403.23355	2.7
403.27267	3.9
404.11655	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	403.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03444	1.0
58.00589	0.8
59.01376	12.3
60.01725	0.3
61.98836	6.2
68.99807	0.5
69.03484	0.4
69.04786	0.3
69.54045	0.4
69.60698	3.4
71.01385	12.1
72.99310	1.0
73.02949	2.2
75.00867	0.4
75.43396	0.3
78.95898	0.5
83.01398	1.3
85.02956	4.1
87.00898	0.9
89.02453	6.7
89.02986	0.5
93.03465	30.6
94.03811	0.8
95.01397	1.7
96.99291	0.5
97.03009	0.4
99.00909	0.8
101.02455	7.7
107.01389	0.7
108.02171	0.5
109.02966	1.3
111.00913	0.5
113.02461	4.6
119.03482	2.4
121.02979	0.7
121.05077	3.5
123.00918	3.4
124.01704	0.5
125.02469	4.4
133.02972	0.4
135.04562	0.7
136.01711	2.0
137.02463	86.1
138.02811	3.4
139.00380	1.6
140.01141	0.5
141.01924	0.7
143.04599	0.8
143.59959	0.4
149.02632	0.6
151.00378	3.4
151.03993	1.0
153.01935	0.7
161.02452	1.4
161.04562	1.2
165.02995	0.7
168.00630	0.8
169.01439	5.1
179.03513	6.9
179.05225	0.4
179.05780	0.4
209.04591	1.2
221.04520	0.8
223.06091	0.7
239.05640	4.4
252.58095	0.3
274.13672	0.5
281.06631	2.4
282.67557	0.4
306.07825	0.8
327.72565	0.4
341.09003	0.7
403.12466	100.0
404.12842	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97207	0.5
51.81620	0.5
55.01875	0.9
57.03447	1.4
59.01380	15.3
61.98832	24.2
67.01889	0.7
68.72249	0.5
69.03444	0.7
69.87593	3.6
71.01385	11.8
72.99329	2.5
73.02953	2.8
75.00881	3.6
77.01324	0.9
78.95916	1.1
79.01894	0.7
83.01395	1.9
85.02953	6.6
86.03301	0.9
86.96599	0.5
87.00890	2.3
88.01198	0.6
89.02457	7.6
90.02797	0.6
92.47197	0.6
93.03459	1.1
95.01393	3.2
96.96013	0.8
97.02982	1.2
99.00890	2.8
101.02451	8.6
101.81351	0.5
103.00358	0.7
107.01417	2.2
107.05058	1.1
109.02975	6.3
111.00872	2.6
113.02452	7.5
114.02782	1.0
115.02926	1.2
119.03529	2.6
121.02950	0.9
123.00900	10.7
123.01736	0.9
123.04543	1.0
124.01676	3.0
125.02462	15.5
128.03600	0.7
135.04543	0.9
136.98897	1.0
137.02478	2.1
139.00374	3.7
139.55774	0.6
140.01189	2.5
141.01950	1.8
143.04594	0.8
149.02438	4.6
149.99579	2.0
150.06821	0.8
151.00383	8.3
151.04054	2.0
152.04411	0.8
153.01942	6.8
153.04529	1.1
154.99910	0.7
161.04633	1.8
162.06943	1.3
163.04068	0.8
164.04810	4.8
166.02786	0.7
167.03525	1.9
168.00662	7.0
169.01445	15.6
179.03503	1.1
179.05664	0.7
179.07106	1.3
180.07909	3.6
180.69815	0.6
181.08708	5.9
182.05870	0.7
189.60503	0.6
195.03325	0.6
203.03494	1.0
211.02536	1.0
223.02641	0.7
223.06139	7.3
240.36916	0.6
241.07185	4.1
241.14413	0.8
249.06197	1.0
250.06592	1.1
251.06676	2.8
255.85588	0.6
267.07242	2.4
268.07547	2.0
269.07706	6.5
271.04761	1.0
306.07761	1.8
313.05936	1.3
340.07623	1.2
343.14258	1.0
403.12418	100.0
404.12747	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	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03445	0.6
58.00591	0.3
59.01382	6.5
61.98826	2.7
67.01884	0.9
68.99802	0.4
69.03466	0.7
69.96482	0.5
69.96886	1.5
71.01389	5.8
72.99315	0.6
73.02943	1.9
74.74321	0.3
79.01895	0.8
83.01403	1.4
85.02956	2.6
87.00905	0.6
89.02438	2.7
95.01402	2.2
97.02946	1.0
98.69742	0.3
99.00887	1.0
99.05674	0.4
100.15224	0.3
101.02457	5.5
107.01418	3.0
109.02959	6.8
110.00098	0.7
110.03326	0.4
111.00905	3.2
113.02479	2.2
119.03527	0.8
121.32320	0.3
123.00896	14.1
124.01673	1.3
125.02460	14.7
126.02824	0.4
127.00365	0.8
136.05241	0.3
136.98840	1.5
137.02527	0.4
139.00392	4.8
140.01192	3.7
141.01978	2.0
143.03563	0.5
143.04617	0.7
149.45313	0.3
150.06862	0.8
151.00389	12.3
151.07642	0.7
152.00685	0.7
153.01938	1.3
161.04562	0.9
162.06895	1.2
163.04118	0.4
163.07628	1.3
165.05537	0.3
166.02771	0.4
168.00661	4.0
169.01445	17.9
170.01790	1.0
173.96938	0.3
180.07921	3.6
181.05093	0.6
181.08733	7.0
203.03407	0.3
211.02498	0.7
215.86806	0.4
223.09801	0.4
241.14410	0.3
253.11044	0.3
271.04651	0.7
272.09207	0.4
306.07581	1.1
313.05624	1.7
343.13992	0.4
367.15802	0.8
385.15421	0.3
403.12445	100.0
404.12781	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	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03453	1.5
58.00597	0.4
58.02973	1.0
59.01381	9.6
61.19880	0.3
67.01900	1.0
69.03470	0.4
69.49408	2.3
71.01389	9.1
72.99306	0.8
73.02952	2.4
74.02483	2.2
79.01902	1.0
80.95833	0.3
82.00595	0.3
82.02992	0.4
83.01399	1.9
85.02960	3.8
86.02489	1.1
87.00910	0.7
87.05650	0.6
89.02455	5.6
90.00220	0.3
95.01402	2.2
97.02973	0.9
99.00887	1.0
99.05646	2.1
101.02457	6.9
101.07232	0.3
102.05615	0.3
107.01406	2.8
111.00919	2.0
113.02458	3.9
116.01813	0.4
117.97324	0.9
119.02706	0.4
119.03516	2.7
121.02950	0.3
123.00899	14.0
123.08185	0.8
124.01697	1.1
124.05305	0.8
125.02466	13.4
127.00394	0.8
127.05134	0.3
128.03555	6.8
135.04651	0.3
135.05647	0.5
136.98828	1.2
137.02473	0.6
139.00412	3.2
139.01408	0.4
139.07658	4.5
140.01163	2.7
141.01952	2.2
141.06680	0.4
143.03560	0.9
143.04637	10.3
143.18680	0.3
145.06219	0.4
146.04591	0.9
149.04553	0.4
149.07114	0.3
151.00386	12.2
151.07660	2.0
152.00801	0.3
153.01974	0.7
153.06714	1.0
154.01070	0.2
157.63536	0.3
159.03139	0.4
160.00771	2.7
161.04558	1.1
161.09827	0.4
163.04005	0.6
163.07703	0.3
163.84969	0.3
165.01950	0.3
166.05066	0.4
167.03423	0.4
167.04692	0.6
168.00662	4.0
169.01445	20.1
170.01776	0.7
177.03400	0.9
179.03368	0.3
179.04382	1.4
179.05833	0.6
179.10818	1.9
180.11188	0.3
184.10994	0.2
185.05612	0.4
193.12338	1.2
197.05775	0.4
203.10786	0.7
204.11020	0.4
205.12369	0.7
210.08871	1.9
211.02460	1.0
211.13448	0.5
221.11783	0.7
223.02490	0.3
223.13426	1.3
241.14441	10.6
242.14799	0.6
253.03578	0.4
254.07846	2.4
271.04553	1.0
272.08896	4.5
288.06766	1.6
306.07663	14.8
313.05576	1.8
354.81616	0.2
403.12457	100.0
403.19550	4.7
404.12790	8.6
404.20319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34727	0.3
55.01883	0.9
57.03441	1.0
58.00585	1.1
58.02963	0.6
59.01381	18.0
61.98830	2.6
64.52761	0.4
67.01888	0.9
69.03461	0.6
69.61787	1.4
69.62193	1.0
70.59155	0.3
71.01388	15.3
72.99313	1.2
73.02948	2.7
74.02476	1.7
79.01891	0.8
81.03466	0.4
83.01392	2.2
85.02950	5.8
86.02486	0.3
87.00903	1.4
89.02456	12.6
95.01381	2.4
97.02949	0.5
99.00880	0.9
99.05647	1.3
101.02457	10.0
101.07227	0.3
107.01404	3.4
109.02979	5.5
110.00114	0.4
111.00922	2.6
113.02470	6.8
119.03522	5.8
121.83714	0.3
123.00904	15.0
124.01707	1.0
125.02465	15.5
126.02780	0.6
127.00385	1.0
128.03548	4.2
131.03522	0.5
135.04533	0.6
136.98833	1.3
137.02524	0.6
139.00388	4.4
140.01164	3.1
141.01959	2.3
141.06700	0.4
143.03531	1.0
143.04642	4.6
146.04657	0.3
149.04509	0.5
151.00394	12.4
152.00761	0.3
153.00125	0.6
153.01973	1.1
153.05525	0.4
153.09254	0.5
159.02969	0.3
160.00748	0.9
161.04631	2.0
163.04010	0.4
163.07646	0.5
166.02806	0.7
166.05086	0.8
166.06357	0.5
167.03528	1.2
167.04778	0.3
167.07143	1.1
168.00664	4.0
169.01442	21.0
170.01778	0.7
179.05656	1.2
180.07965	0.5
181.05058	1.3
181.08713	0.6
182.05824	0.4
193.05035	0.4
203.03510	1.5
204.11150	0.4
210.08815	0.8
211.02463	0.9
223.02490	0.5
223.09747	1.3
223.13397	0.4
226.04813	0.8
239.09195	0.4
241.07108	1.2
241.14453	1.9
253.03551	0.7
254.07773	1.5
271.04623	0.9
272.08896	1.9
288.06537	0.9
306.07663	7.9
309.41711	0.3
313.05597	1.7
388.10376	0.5
403.12451	100.0
404.12799	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	403.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.9
58.00607	1.1
59.01379	97.5
60.01695	1.6
61.98834	11.9
63.22169	1.0
65.00349	1.1
69.35363	3.4
69.35783	8.8
71.01389	17.8
72.99308	2.2
73.02953	4.7
75.00867	3.3
79.05577	1.3
79.46467	1.0
83.01410	1.5
85.02506	1.1
85.02945	6.0
87.00895	2.5
89.02457	11.0
96.96043	0.9
99.00934	1.1
99.04536	2.6
101.02460	7.1
104.05071	1.7
107.05035	1.7
109.02965	2.2
113.02482	7.6
115.00354	1.2
119.03501	5.1
119.08699	1.5
120.04578	1.6
120.99612	1.5
122.06142	5.6
123.08200	1.3
124.07724	1.8
130.02969	2.0
132.04572	11.1
136.01686	1.9
137.09766	4.4
146.23607	1.1
147.03287	3.0
148.04022	1.8
150.05646	3.2
151.04019	1.5
153.01904	1.1
158.02510	6.2
160.04002	6.7
161.04590	3.1
161.09727	3.8
162.05595	2.5
166.02667	1.6
174.21790	1.1
175.02644	1.7
176.03561	7.4
176.07196	3.0
178.99893	3.1
179.10762	3.7
181.01480	1.8
181.08755	7.0
183.09340	1.3
184.07851	1.4
190.05104	13.5
192.06538	2.2
196.11414	1.5
197.11844	33.4
198.12202	2.3
204.02983	2.6
211.12469	4.0
212.05875	1.5
212.10854	2.5
213.06638	1.8
215.11902	3.2
220.02608	1.5
223.08458	1.9
223.09933	1.7
223.13428	1.1
224.07314	2.3
224.09579	8.8
225.06451	1.7
225.08203	1.5
226.07538	2.5
227.08260	3.8
227.12910	4.2
234.04074	2.8
237.06317	1.5
239.04634	1.5
239.08299	2.2
239.09441	1.5
239.11876	20.1
240.08710	1.2
240.10257	3.6
241.10846	70.9
241.14508	2.3
242.11156	4.0
253.06198	18.1
253.09998	1.4
254.06874	2.3
254.37102	1.2
255.07747	4.9
255.11314	7.0
265.09937	1.9
266.07062	1.4
267.07809	5.8
268.08521	10.5
269.09177	2.5
271.07275	1.3
271.10043	1.3
281.09390	7.0
283.10876	46.5
284.11212	4.9
287.10205	2.1
287.15005	12.6
294.06262	1.2
299.10391	1.7
309.08841	20.6
310.09174	2.5
313.13168	1.3
315.08783	1.5
315.13278	1.3
327.09848	43.2
328.10184	2.9
341.11575	3.8
343.14001	5.8
353.07794	3.5
359.12430	4.3
371.08838	38.8
372.09088	3.2
385.10657	1.9
403.11478	100.0
403.19708	34.1
403.23273	1.9
403.27640	2.4
404.11676	11.1
404.20291	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	402.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
73.38883	1.2
86.65590	1.2
125.69870	1.1
166.94945	1.3
193.05479	1.3
215.19516	1.4
271.51120	1.3
285.69769	1.3
356.58527	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	403.1036
Annotation	Apuleirin
Peak:m/z	Relative Intensity
57.03449	0.4
59.01377	4.5
61.98832	13.3
69.03436	0.3
69.40517	0.8
69.40939	2.4
71.01381	1.2
72.99311	0.4
73.02943	0.6
81.03439	0.4
85.02960	0.5
87.04520	0.4
89.02432	0.6
101.02429	0.8
108.02187	0.4
109.02953	0.4
113.02472	0.3
115.00350	0.5
115.04017	2.3
119.03432	0.4
119.05031	0.8
121.02975	0.5
123.00905	0.5
123.04491	0.7
124.01672	0.5
125.02447	0.7
127.03990	0.4
133.02979	0.8
135.04532	0.4
137.02489	0.5
145.03008	0.5
147.04568	1.0
148.01619	0.4
149.02432	0.4
151.04008	0.8
155.05016	0.5
158.03680	0.4
160.01707	0.3
161.02477	2.2
161.04636	0.3
163.04024	0.4
171.04536	0.7
171.10362	0.3
173.06090	0.5
174.03232	0.9
175.00359	0.4
175.03998	2.7
175.07553	0.4
176.01163	1.3
177.01941	3.8
178.02618	0.3
179.03435	0.3
181.12402	0.3
183.04510	0.9
187.03969	0.9
187.05728	0.3
189.01933	6.4
189.05588	0.5
190.02707	2.4
191.03508	0.4
197.05864	0.4
197.11804	0.5
199.03987	0.7
201.01923	0.4
201.05583	1.2
202.02753	1.0
202.06322	0.4
203.03508	9.7
203.70468	0.3
204.04259	6.5
205.01430	1.0
205.04723	0.7
211.03995	1.1
212.04799	0.5
213.01883	0.4
213.05530	0.7
214.02692	1.3
215.03525	1.2
216.00787	0.4
216.04219	0.6
217.01419	0.9
218.02173	0.4
219.03008	0.7
219.06647	1.5
225.05553	1.4
226.06329	0.9
227.03529	6.4
227.07008	0.6
227.10724	0.4
228.04214	2.6
229.01402	0.8
229.05078	4.3
230.02174	0.8
230.05664	0.4
231.02948	0.5
233.00812	0.3
233.04460	0.5
236.05006	0.4
239.07169	0.6
240.04216	0.4
241.05130	1.7
241.14507	0.6
242.02246	1.5
242.05809	2.0
243.02974	0.8
243.06592	1.5
245.00925	0.3
245.08185	0.5
247.06079	4.1
248.03333	0.4
248.06358	0.4
253.05023	0.9
253.08755	0.8
254.05653	0.5
255.02975	3.5
255.06615	1.0
255.10190	1.3
256.03732	2.5
256.07449	0.7
257.04617	1.6
257.08173	1.2
261.00436	1.8
262.04877	1.0
265.04886	0.6
267.06668	0.6
269.04520	1.9
269.08167	0.4
270.05453	2.6
270.08090	0.6
271.02618	0.6
271.06076	1.8
271.09650	2.7
273.03931	0.5
275.05392	0.8
275.64792	0.3
280.03815	0.9
280.07245	0.4
281.04514	0.6
281.08188	1.7
283.02682	0.3
283.06094	0.8
283.09683	1.7
284.06836	0.4
285.04047	2.6
285.07684	1.5
285.13574	0.4
287.05600	7.5
288.05969	1.0
297.04755	0.3
297.07663	2.0
298.04733	0.6
298.08182	0.5
299.05731	1.1
299.09229	15.7
300.09534	1.5
303.05106	0.4
309.07770	1.5
313.06955	0.4
315.08582	0.7
318.45038	0.4
325.07227	1.0
327.08743	25.9
328.09116	2.3
331.08246	0.5
331.11850	4.0
332.12274	0.3
343.08231	6.0
344.08383	0.7
353.06689	0.4
357.09811	0.7
359.11362	3.0
361.18430	0.4
371.07697	5.1
375.10843	7.1
376.11130	0.9
403.10333	100.0
403.27139	1.9
404.10666	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	402.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52010	0.2
55.01884	0.4
57.03436	0.3
58.00572	0.2
59.01380	4.4
60.01719	0.2
61.98829	100.0
62.98539	0.2
65.29342	0.1
67.01905	0.4
69.03452	0.5
69.39056	1.9
71.01387	3.6
72.01720	0.3
72.99316	0.4
73.02950	0.8
75.00887	0.5
79.01907	0.2
83.01408	0.6
85.02954	1.6
87.00884	0.6
89.02448	2.1
93.03463	0.4
93.93595	0.2
95.01386	1.0
96.96056	0.2
97.03001	0.2
98.97421	0.1
99.00908	0.7
101.02466	2.4
107.01402	0.9
107.05024	0.2
109.02969	2.6
110.00086	0.2
111.00911	1.0
113.02472	1.7
113.62995	0.2
119.03529	0.6
120.99667	0.2
121.02895	0.2
122.02525	0.6
123.00895	4.6
124.01700	0.5
125.02461	5.2
127.00410	0.3
133.02986	0.3
135.04564	0.7
136.07642	0.4
136.98856	0.4
137.02437	0.5
139.00409	1.6
140.01169	0.9
141.01982	0.8
147.04559	1.1
148.04080	0.3
148.05321	0.6
149.02454	0.2
149.06099	1.6
150.06841	0.4
151.00389	3.6
151.03929	0.5
151.07672	0.4
152.04395	0.3
153.01935	0.7
154.77272	0.2
159.04491	0.2
161.02454	0.7
161.04634	0.4
161.06094	0.6
162.06880	0.4
163.04053	0.4
163.07623	0.4
165.05542	0.4
167.03467	0.2
168.00662	1.3
169.01436	6.0
173.06079	0.3
175.04002	1.1
177.01987	0.4
177.05536	0.2
179.03490	0.2
179.05681	0.2
180.06654	0.3
180.07950	1.7
181.05092	0.2
181.08720	2.7
189.05536	0.9
191.03571	0.3
191.05635	0.2
191.07193	0.5
193.05241	0.2
202.01453	0.5
203.03493	0.2
203.07045	0.2
205.05159	0.4
211.02513	0.5
217.05043	1.1
219.03012	0.5
221.04512	0.4
221.12030	0.2
222.07726	0.4
230.77206	0.2
235.06104	0.9
237.04070	0.5
241.07062	0.2
241.14449	0.4
249.06105	0.3
250.06427	0.3
267.07266	0.3
268.07584	0.4
271.04660	0.5
279.05206	0.8
295.08218	0.8
301.00095	0.4
313.05713	0.6
339.07196	9.5
340.07422	0.8
342.11423	0.3
343.14050	0.3
402.06680	0.9
402.11151	3.1
403.12445	31.5
416.89578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	2.2
57.03450	23.6
58.00616	2.3
59.01380	56.8
60.01754	0.8
61.98830	4.7
67.01939	0.5
69.03494	1.6
69.51632	5.3
71.01387	46.8
72.01721	0.9
72.99344	2.1
73.02956	8.0
73.03334	0.7
74.36154	0.5
75.00893	0.7
83.01399	3.2
83.05051	1.7
85.02963	15.3
87.00462	0.5
87.00875	3.0
89.02455	30.5
90.02818	0.6
93.03477	0.5
95.01411	3.4
95.05061	1.6
97.03008	1.9
98.19918	1.3
99.00929	2.2
101.02458	23.5
107.05093	0.9
108.02236	2.2
109.03004	1.6
111.00887	0.6
111.04549	1.0
113.02470	20.5
113.03224	1.0
119.03519	11.0
119.04299	0.8
119.04991	0.9
119.08697	0.9
120.05844	0.5
120.99686	0.7
121.06606	2.7
123.00938	2.0
123.04539	2.6
123.08179	9.3
124.02333	0.6
125.02477	3.3
131.03569	1.0
133.06593	1.0
135.04547	8.1
135.08139	2.6
136.05322	0.8
139.00388	0.9
139.07689	2.0
141.09291	0.9
143.03558	3.0
145.06708	0.7
147.04565	1.7
148.01671	0.6
148.05312	2.8
149.09717	3.5
151.00404	1.2
151.07664	29.3
151.11348	1.3
152.01187	0.9
152.08011	0.9
153.02002	1.3
159.03001	2.8
159.08144	0.8
160.08998	2.7
161.04575	16.6
161.05893	0.7
161.09734	9.7
162.10071	0.8
163.04057	0.9
163.07663	22.1
164.08235	1.8
165.09216	9.4
168.07922	3.3
169.01466	2.4
173.09726	2.0
175.07750	0.8
175.11276	1.6
177.09219	15.5
178.09660	0.8
179.05653	5.1
179.10805	18.9
179.12390	1.0
180.11186	1.0
181.05025	1.1
187.07654	3.0
188.08441	11.3
189.08868	1.0
191.05638	0.6
191.10846	1.1
193.12462	1.5
203.10800	72.6
204.11095	4.3
221.11836	100.0
222.01286	0.7
222.12202	5.8
231.94933	0.6
239.05591	0.6
239.12759	1.3
341.10837	3.3
383.17099	0.8
401.10651	10.2
401.18414	0.9
402.10956	0.8
405.87698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27984	0.6
54.62936	0.6
55.01886	1.3
57.03448	21.2
58.00594	1.0
59.01381	46.3
61.98825	0.9
69.03465	1.2
71.01385	34.0
71.07578	1.3
71.07889	0.7
72.95888	0.5
72.99311	1.2
73.02947	6.9
73.94689	0.6
81.03475	1.3
83.01398	2.2
83.05014	1.4
85.02962	15.6
87.00888	2.7
89.02454	19.6
93.03422	0.6
95.01406	3.6
95.05019	1.7
97.02983	3.2
99.00888	2.9
101.02455	16.8
103.04066	0.7
107.05005	1.0
108.02187	12.8
109.02972	10.4
109.06577	1.0
113.02470	13.6
119.03539	7.0
119.05062	0.9
121.06627	5.9
122.03717	0.8
123.00896	1.5
123.04567	1.9
123.08193	7.6
125.02456	1.5
131.03534	1.6
131.08664	1.0
133.06612	2.0
135.04543	7.9
135.08182	2.7
136.05309	0.8
137.02498	0.9
139.07611	1.7
141.09244	1.0
143.03525	1.8
144.05829	4.4
145.05130	0.6
145.06500	1.1
147.04558	1.0
148.05325	2.2
149.09731	9.4
150.35735	0.6
151.07672	22.4
152.01180	10.8
152.08026	0.9
153.01978	4.2
159.03011	2.7
159.08215	5.2
160.08940	1.1
161.04597	12.3
161.05971	1.5
161.09770	7.9
162.06766	0.6
163.07680	16.3
164.08176	1.1
165.09225	8.3
168.07938	2.8
169.01404	2.0
173.06061	0.8
173.09702	1.8
175.07758	0.7
175.11282	1.1
177.09233	36.4
178.09627	2.0
179.05617	2.7
179.10811	15.8
180.11145	1.1
186.06967	0.6
187.07660	2.0
188.08434	9.1
191.10788	1.2
193.12241	1.1
203.10797	56.6
204.11124	4.5
205.08673	1.8
206.09435	1.2
221.11833	100.0
222.12215	5.6
239.12906	7.4
240.13362	1.1
341.10846	0.8
348.14349	0.7
357.95724	0.7
383.10083	0.9
383.17120	0.8
401.10886	23.6
401.18661	3.0
402.11417	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	401.1456
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01882	6.1
55.13057	0.7
56.37359	0.6
57.03461	4.2
58.00589	1.4
58.62994	0.6
59.01382	37.0
69.03464	1.6
69.60266	2.3
69.60700	3.0
71.01389	77.1
72.01746	0.8
72.99308	1.9
73.02956	34.2
75.00881	2.0
81.03441	0.9
83.01398	9.9
84.02132	0.6
85.02961	36.8
85.88551	0.6
87.00885	4.1
89.02454	16.5
95.01429	4.1
97.02978	4.2
98.19934	1.5
98.85570	0.6
99.00898	14.7
99.04530	1.1
101.02458	63.8
102.02785	1.4
107.05062	0.9
111.00887	2.2
113.02464	29.6
115.04018	2.4
119.03506	0.9
120.99667	1.8
123.04476	0.7
125.02455	7.5
129.01944	1.8
131.03552	3.9
135.04521	1.4
138.06876	0.7
143.03479	3.8
149.04608	1.3
159.03004	7.3
161.04582	44.1
162.04935	1.9
165.09175	1.2
179.05623	1.0
191.05632	2.2
200.41760	0.7
205.03572	1.0
206.58990	0.7
233.06639	7.0
247.08215	2.1
269.10297	86.6
270.10580	8.1
293.08798	2.5
313.13043	0.9
341.10953	1.5
401.14548	100.0
402.14868	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	401.1819
Annotation	Spionoside B
Peak:m/z	Relative Intensity
55.01870	1.1
57.03450	22.4
58.00586	1.0
59.01380	47.5
61.03501	0.7
61.98819	1.9
69.03463	1.4
70.99978	1.4
71.01386	38.9
72.01717	0.8
72.99297	1.3
73.02956	6.2
81.03477	0.8
83.01384	2.7
83.05031	1.0
85.02960	15.1
87.00876	2.0
89.02451	22.7
93.03433	0.7
94.93227	0.6
95.01367	3.5
95.05022	1.3
95.74118	0.7
97.02976	1.2
99.00871	3.0
101.02457	20.4
107.05022	0.8
108.02218	0.9
109.02924	1.4
113.02477	15.9
119.03519	8.6
119.08689	1.0
121.06625	2.2
123.00879	0.8
123.04524	1.6
123.08179	9.0
125.02454	1.2
131.03494	1.0
132.61890	0.7
133.06635	1.2
135.04556	8.0
135.08163	1.7
139.07631	1.7
143.03525	2.8
145.06685	0.8
147.04549	1.7
148.05312	2.8
149.09781	0.7
151.07666	26.5
151.11320	1.1
152.08008	1.5
159.03001	2.8
160.08966	2.6
161.04594	13.3
161.09749	11.1
163.07664	19.1
164.08063	1.0
165.09229	9.9
168.07930	2.1
173.06035	0.6
173.09712	2.1
175.11327	1.9
177.09225	5.4
179.05637	3.8
179.07048	0.7
179.10782	18.6
180.11032	0.7
187.07631	2.3
188.08443	10.4
189.08765	1.0
193.12383	1.3
202.69669	0.6
203.10783	72.6
204.11061	5.2
206.30548	0.7
209.09732	0.7
221.11832	100.0
222.12169	8.2
341.10803	0.9
383.17041	1.4
401.10971	2.4
401.18338	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.1
61.98823	5.0
68.12619	0.9
68.99801	2.1
69.03452	1.0
69.75562	2.6
69.75979	4.4
70.22252	0.9
71.01386	11.9
72.99310	2.1
73.02963	4.8
73.03288	0.8
75.00878	1.0
79.14760	0.8
81.03477	1.0
83.01423	1.0
85.02966	6.1
86.44127	0.9
87.00886	43.3
89.02451	11.1
89.52219	0.9
93.03468	1.0
95.01392	1.5
97.02914	1.0
99.00913	1.4
101.02470	6.0
109.02991	1.7
111.00887	2.2
113.02474	6.3
119.03522	2.4
121.02975	2.5
123.00871	3.4
131.03506	2.4
135.04532	1.4
137.02473	3.4
138.03210	2.2
139.04033	1.1
149.02409	2.0
151.00365	1.1
151.03949	1.2
153.05574	1.7
161.02464	5.5
161.04555	1.0
163.04041	15.5
164.04808	11.0
165.05566	3.8
166.02708	6.3
173.02461	1.7
175.04036	1.9
175.62666	1.0
176.04803	7.4
177.01920	3.1
177.05591	1.4
178.02695	1.3
178.06363	14.8
179.03546	7.3
179.05598	4.1
179.07140	22.6
180.07462	1.2
181.05107	6.4
187.03979	2.4
188.04860	1.6
190.02718	2.5
191.03510	15.5
191.07179	4.8
192.04166	2.7
193.05101	6.6
193.08722	2.9
194.05840	6.1
195.06674	1.0
202.06378	1.1
203.03502	5.1
204.04213	2.2
205.01564	1.2
205.05029	7.7
206.05870	6.8
207.03008	1.9
207.06587	2.4
208.07455	1.5
209.08206	6.0
218.05843	3.0
219.02974	3.8
219.06609	1.4
220.03722	1.8
221.04608	4.4
221.08279	4.6
231.02905	1.3
233.08160	1.7
234.05263	3.0
235.06087	2.8
236.06866	2.2
237.07678	3.0
238.04866	2.2
246.05269	1.5
247.02509	5.7
247.06110	4.1
249.07709	4.2
250.04802	2.6
251.09221	2.7
261.07608	1.9
262.04779	6.6
265.07159	48.4
266.07422	2.9
267.07196	2.6
277.07150	24.5
278.07666	2.1
279.08743	1.0
295.08237	61.3
296.08661	2.9
309.09808	1.2
325.09338	2.0
337.09464	1.4
341.10938	17.3
342.11676	1.0
355.10367	20.9
356.10599	2.2
383.09665	6.6
401.10892	100.0
402.11188	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	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.3
57.03447	7.2
58.00597	2.1
59.01379	40.5
60.01707	0.3
61.98818	2.4
67.01891	0.4
68.99805	0.7
69.03450	1.7
69.71314	0.7
69.71732	1.9
71.01386	73.0
72.01727	0.7
72.99310	3.3
73.02953	26.2
74.03320	0.4
75.00884	1.3
81.03465	0.7
83.01394	13.3
83.05036	0.3
84.01684	0.3
84.02164	0.3
85.02960	38.5
86.00103	0.9
86.03296	0.7
87.00878	3.2
89.02457	11.2
89.95515	0.4
90.98604	0.5
93.03468	1.2
95.01404	4.8
97.02966	2.5
99.00894	11.7
99.77422	0.3
101.02457	60.9
102.02801	1.4
103.04086	0.4
107.05043	0.9
109.02959	0.6
111.00895	1.1
113.02465	30.0
114.02811	0.7
118.47617	0.3
119.03503	2.0
119.05016	0.5
120.99668	0.6
121.02958	0.9
121.06609	2.2
123.00901	0.9
123.04512	0.4
123.08138	0.6
125.02468	3.2
129.01991	1.6
131.03522	24.7
131.08643	0.4
133.06590	0.5
135.04526	0.8
135.08194	0.6
137.02454	1.2
137.09789	0.4
139.00401	0.4
141.01950	0.4
143.03522	5.0
144.05841	1.8
149.09734	5.3
150.06792	0.5
151.07648	1.4
152.01166	0.4
159.03017	6.8
159.08147	1.5
161.04579	54.6
162.04944	1.5
163.07677	0.9
165.09236	0.7
169.01440	1.0
173.04614	0.6
175.11264	0.3
177.09215	15.3
178.09619	0.7
179.00154	0.4
179.05655	1.3
179.10788	1.1
187.07693	0.3
188.08495	0.8
191.05585	0.9
191.10785	0.9
192.05829	0.4
193.12440	0.4
194.05801	0.7
203.10812	3.3
205.03520	1.9
205.08717	0.7
221.08188	1.3
221.11839	11.9
222.12154	0.7
239.12869	3.7
269.10284	100.0
270.10626	6.8
270.13086	0.2
313.09283	0.7
313.12720	0.5
341.10977	2.3
357.12354	0.4
400.48672	0.3
401.09906	2.7
401.15128	2.6
401.18726	1.0
402.14618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.1
58.00597	0.9
59.01379	18.2
61.98829	7.6
67.01889	0.9
68.99825	1.9
69.03469	0.5
70.99365	1.0
70.99749	1.0
71.01388	18.2
72.99310	4.3
73.02949	1.6
75.00875	16.2
81.03455	0.7
83.01406	1.2
85.02962	21.1
87.00888	7.3
89.02454	8.0
91.03982	1.1
93.03448	2.1
95.01402	6.0
99.00892	9.0
101.02466	1.2
103.00387	2.1
106.04252	3.0
107.05037	9.8
108.02171	1.6
108.05331	0.6
111.00891	1.3
113.02469	24.3
114.02810	0.6
115.00397	2.7
117.01942	2.8
121.02976	2.1
123.04533	4.1
125.02428	0.5
129.01935	1.7
131.03546	0.9
133.02979	5.7
137.02489	0.8
143.26843	0.6
146.18306	0.5
151.04025	16.2
152.04424	0.7
157.01486	0.8
163.77701	0.5
174.67163	0.5
175.02484	2.5
189.04141	0.7
205.07156	0.8
207.05116	1.3
231.05133	2.1
249.06151	23.6
249.08752	1.1
250.06425	1.3
267.07202	42.5
268.07394	2.7
341.10995	1.2
383.09851	1.3
401.10892	100.0
402.11215	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	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.2
58.00597	2.0
59.01380	86.0
60.42913	0.8
61.98849	4.4
66.74975	0.7
69.03476	1.2
71.01391	26.2
71.56743	1.3
72.99306	1.3
73.02965	4.1
75.00872	0.8
81.03463	1.1
83.01395	3.2
85.02960	8.2
87.00906	2.2
89.02452	24.6
93.03472	5.0
95.01411	2.3
95.05041	1.2
97.02949	1.6
99.00886	2.3
101.02448	13.8
107.05041	13.5
109.02958	3.1
111.04550	3.3
113.02467	9.9
115.00359	0.9
119.03513	8.6
120.99669	1.0
121.02980	10.6
123.00900	1.0
123.04537	3.0
123.08234	1.1
125.02463	41.5
125.06072	1.5
126.02768	1.6
131.03526	2.1
135.04539	5.1
137.02464	10.0
138.03238	1.5
139.03996	1.4
143.03546	1.3
149.02458	3.6
149.04568	1.3
149.06163	1.1
151.04018	1.7
151.07672	2.1
153.01950	1.7
159.02942	0.9
161.02464	3.7
161.04561	5.7
163.07695	2.7
165.01974	1.6
165.09180	5.3
166.02756	2.6
167.03465	1.7
169.01442	1.7
173.04602	2.9
179.03514	100.0
179.10707	2.0
180.03853	5.1
191.05602	2.7
203.10796	2.8
219.03027	2.3
221.11852	10.0
235.07974	1.1
235.79291	0.9
239.05614	14.6
239.13054	1.1
303.05038	2.5
325.11691	1.0
337.05618	0.9
339.12128	1.0
341.10934	7.7
365.18109	1.3
369.10846	1.0
383.11417	1.0
401.14636	10.6
402.14944	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
57.92791	0.5
59.01379	4.4
61.98825	1.6
71.01384	2.2
85.02960	1.1
89.02439	2.7
95.01412	0.8
96.96019	0.8
101.02466	1.1
108.02219	0.6
113.02441	1.2
121.02975	2.7
123.00886	0.8
132.02184	2.2
136.01675	2.8
144.02200	1.1
147.00885	0.9
147.04514	1.8
151.00369	0.7
151.03981	2.9
156.02054	0.5
160.01662	4.3
161.02370	1.4
162.03227	1.1
163.00449	0.9
171.00926	0.9
172.01678	5.8
173.59102	0.5
175.03912	0.8
176.01170	1.9
177.01875	0.7
178.02699	0.8
181.05054	0.7
184.01701	0.7
188.01184	5.4
188.74884	0.6
189.01872	2.3
190.02759	2.2
193.05003	0.7
199.00378	0.8
200.01152	7.1
201.01923	0.9
202.02748	1.7
203.03387	0.7
204.00626	2.5
211.07489	0.8
211.13312	0.6
214.02704	1.3
216.00650	18.1
217.01410	3.2
218.02200	1.5
225.09164	0.8
227.03549	1.6
227.37834	0.6
228.00664	2.3
228.04234	1.0
229.08691	1.1
230.02161	2.3
236.04808	1.1
239.03621	0.7
239.12968	0.7
241.05194	1.4
241.08699	0.8
242.02312	1.0
242.99385	0.7
244.00127	17.4
245.00766	2.5
246.01668	5.4
251.07190	2.8
252.04120	0.6
253.05025	0.8
253.08658	0.8
254.05917	0.7
255.02960	3.7
256.07544	0.8
257.08142	1.1
258.01685	2.9
261.00241	0.7
262.01175	0.7
263.03720	0.7
267.03043	1.7
267.06635	1.8
269.00894	2.4
269.04474	1.7
269.08127	1.4
270.01761	2.3
271.99622	21.2
273.00192	2.2
275.02109	0.9
278.00793	0.8
279.06485	0.9
281.04675	0.8
281.08075	0.9
283.02502	1.2
283.06027	0.7
285.00558	0.9
285.07623	1.6
286.01147	8.6
286.04074	0.9
292.03708	1.0
295.06131	1.7
297.04288	1.4
297.07715	3.7
297.97733	0.7
298.04861	1.0
299.05386	0.7
299.99133	31.5
300.99393	2.3
304.02176	5.4
307.06152	7.7
308.06787	2.6
312.06439	13.1
312.09848	1.1
313.07132	27.5
314.07709	3.1
323.05484	0.6
325.07159	2.4
327.21838	2.0
332.01758	27.4
333.02066	2.0
339.99295	0.7
341.06625	8.0
341.10815	2.6
342.07272	1.0
357.09671	1.4
357.13748	0.8
369.06168	100.0
370.06485	10.5
401.08496	17.9
401.25168	0.8
402.09082	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	399.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79404	1.0
55.01876	1.4
57.03442	6.8
59.01382	17.9
61.78221	1.1
62.52768	0.9
67.01880	4.7
68.99834	6.6
69.03443	4.3
69.52371	10.8
71.01384	33.4
72.99307	2.5
73.02939	1.1
83.01399	4.2
85.02437	2.1
85.02956	42.7
86.00090	1.6
87.00877	12.2
89.02463	3.8
91.04009	4.5
91.05543	74.5
92.05870	2.3
93.03446	2.7
95.01395	8.5
97.02934	1.7
99.00900	1.2
101.02453	2.0
103.00380	3.2
111.00919	7.1
112.01664	2.1
113.02464	58.8
117.02863	1.2
117.03489	13.1
120.99601	1.1
121.02974	1.2
127.04015	1.2
129.01939	5.7
131.03596	1.3
135.04538	70.1
135.68085	1.0
136.04874	3.6
139.00377	3.9
141.64790	1.3
157.01424	1.7
161.04626	1.6
189.04054	1.8
205.07175	19.3
231.05013	2.1
237.09671	1.7
249.06125	10.0
263.07703	50.5
264.08096	3.2
281.08765	100.0
282.09155	6.3
399.12958	76.0
400.13303	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	398.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75304	0.1
59.01380	0.7
61.98833	100.0
62.98548	0.2
70.23317	0.9
71.01410	0.3
85.02969	0.3
101.02389	0.2
113.02428	0.2
121.65946	0.2
135.04556	1.2
138.07407	0.2
145.02975	0.4
146.03365	0.6
152.01108	0.2
167.06197	0.4
181.07741	0.3
231.83498	0.2
246.84148	0.2
264.11441	0.4
335.17001	0.4
370.99146	0.2
398.05392	0.2
398.10583	0.6
398.15463	0.5
399.12857	0.4
412.37976	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
61.98834	13.3
66.01115	0.7
69.23185	0.3
69.73161	1.1
69.73588	1.5
71.01394	0.8
85.02916	0.3
89.02454	0.6
94.00628	0.7
97.70610	0.3
98.19925	0.6
101.02447	0.5
125.02440	0.5
137.02438	0.4
139.47301	0.5
149.02451	0.4
149.06068	0.4
149.99599	2.3
163.00362	0.4
165.02069	0.3
169.01422	0.9
171.30843	0.3
177.01910	0.8
177.99078	9.8
178.99818	0.6
190.99850	1.7
193.01402	1.5
197.05388	0.3
205.01361	0.5
205.98576	100.0
206.99318	25.6
207.01376	0.7
208.00072	3.6
218.99498	0.4
220.00180	0.5
221.00916	85.3
222.01665	36.2
223.02197	3.4
233.00941	0.7
235.02425	2.0
236.03271	2.6
237.04047	38.3
238.04384	1.9
277.03522	0.9
284.77103	0.4
319.05161	0.4
353.05173	1.0
384.02002	0.7
384.06970	12.1
385.07401	1.0
399.09317	52.9
400.04846	0.5
400.09610	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	397.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.3
59.01370	9.0
61.98846	6.0
71.01400	9.2
71.19288	1.2
71.74670	2.6
72.99287	1.5
73.02930	1.6
78.43926	1.2
83.05099	1.3
85.02971	1.9
93.03471	58.1
94.03789	2.3
96.96050	1.9
101.02464	2.4
113.02469	2.4
120.99648	3.5
125.02459	2.0
137.02469	100.0
138.02791	5.1
161.04594	1.6
216.06805	1.2
270.98846	2.5
298.98276	2.0
369.05869	1.7
388.17624	1.2
397.05746	10.1
397.22437	2.8
397.27005	7.8
398.05930	1.9
398.11298	1.5
409.23193	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	398.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03448	1.2
58.00594	0.7
59.01383	13.9
60.01716	0.7
61.98835	16.3
62.87860	0.6
71.01389	20.9
71.72747	0.9
72.99313	3.2
73.02952	4.0
74.99078	1.1
75.00881	1.4
78.91869	0.7
78.95908	2.6
83.01381	1.2
85.02955	5.6
87.00887	49.3
89.02455	13.3
92.05072	15.5
95.01386	1.8
96.96002	1.4
96.96983	5.1
99.00910	1.1
101.02457	9.0
108.04560	2.9
113.02470	7.6
118.03017	3.9
118.06665	0.7
119.03515	3.6
120.04574	4.6
120.70530	0.7
125.02464	1.1
128.05092	3.3
130.06644	11.1
131.03775	2.2
131.05006	0.9
132.04549	1.4
143.03516	0.6
144.04582	13.4
145.04956	0.8
146.02502	14.4
146.06149	8.1
147.02960	0.8
148.04068	27.0
149.04358	1.3
156.04579	10.8
156.05847	0.6
159.03186	0.7
161.04625	1.6
169.01485	0.9
172.04077	6.0
173.04829	3.9
174.05623	28.1
175.05962	1.8
179.05566	1.1
187.69986	0.6
190.05119	2.5
192.06721	1.2
200.03561	6.6
200.05217	1.1
218.04602	6.5
223.08229	2.3
226.83282	0.6
236.05615	1.6
249.06155	26.3
250.06522	1.2
336.10867	1.8
338.04474	0.7
380.09860	1.2
398.10934	100.0
399.11359	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03448	1.6
58.89468	0.5
59.01380	100.0
60.01733	1.0
60.99302	0.9
61.98829	2.5
63.12940	0.6
69.40519	2.9
69.40948	3.3
71.01386	39.4
72.99348	0.8
73.02951	5.7
73.42304	0.6
83.01405	2.2
85.02959	8.5
86.00114	1.8
87.00888	4.1
87.04558	1.1
88.98831	4.0
89.02436	4.0
93.03472	0.9
95.01440	1.0
97.02959	0.9
99.00910	2.0
99.04555	2.6
101.02459	11.5
101.03076	0.9
106.04249	3.4
108.02191	1.2
109.02960	0.8
111.47519	0.6
113.02467	7.9
115.04030	1.5
117.05618	1.6
119.03548	1.0
120.99657	0.8
125.02480	1.4
129.01979	1.1
137.02486	1.1
138.03241	1.5
143.07193	1.1
145.03047	0.8
147.08191	20.0
152.01137	0.7
159.03052	2.0
161.04596	12.0
161.08228	34.5
162.08611	1.2
179.55771	0.6
187.09804	4.0
191.07161	4.7
215.09251	7.8
235.06154	0.7
277.12930	16.9
278.13364	1.4
305.12436	14.5
306.12579	1.4
337.15201	0.8
353.12454	1.4
397.11169	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	397.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03444	1.1
59.01379	100.0
60.01709	1.1
60.99314	0.9
61.98830	1.9
71.01387	41.6
71.67104	0.7
72.01742	0.6
72.99342	0.7
73.02951	7.0
73.03336	0.5
75.00877	0.7
81.03439	0.5
83.01407	2.9
85.02963	8.3
85.03448	0.7
86.00114	1.0
87.00871	4.4
87.04516	1.2
88.98809	7.3
89.02462	4.4
93.03473	0.8
95.01431	1.2
97.02967	0.7
99.00916	3.2
99.04527	2.6
101.02459	12.5
102.02844	0.5
106.04247	4.0
108.02195	1.2
109.02975	0.7
111.00930	0.5
113.02478	8.6
115.04044	1.4
115.07685	1.0
117.05637	1.1
119.03548	1.5
120.99686	0.5
125.02531	0.6
129.01987	0.7
137.02492	1.4
138.03249	0.9
143.03508	0.8
143.07195	0.9
145.02974	0.8
147.04469	0.6
147.08177	19.5
148.08533	0.7
152.01169	0.8
159.03047	1.8
161.02524	0.6
161.04593	12.1
161.08211	35.2
162.08554	1.0
175.04153	0.5
177.01915	0.6
187.09766	4.6
191.07127	5.5
215.09229	8.3
216.09534	0.5
221.86284	0.5
235.06207	1.6
251.07773	0.5
277.12924	21.0
278.13339	0.9
285.38718	0.4
305.12439	16.0
306.12881	1.1
311.02872	0.5
337.15207	1.2
353.12299	1.5
397.06320	1.0
397.11414	3.8
397.15927	0.8
413.18613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27604	0.9
57.03436	1.9
58.00599	1.5
59.01383	67.7
61.98834	15.5
70.02856	4.5
70.03275	1.5
71.01391	24.1
71.05027	100.0
72.05365	2.4
72.99316	3.0
73.02954	39.2
75.00872	2.8
82.28311	1.0
83.01402	1.3
83.05060	1.8
85.02970	10.3
85.90958	1.0
87.00883	14.9
87.04542	5.6
89.02457	15.2
95.01427	1.7
96.96993	1.4
97.02956	5.6
99.00906	2.2
99.04536	13.6
99.83564	1.1
101.02464	21.5
104.91951	0.9
111.08224	1.9
113.02470	18.1
115.04028	35.5
117.05592	38.0
118.05883	1.2
119.03519	11.2
122.03731	3.0
125.02487	5.0
127.04027	1.0
135.06627	1.8
137.06111	17.0
139.04106	1.1
143.03540	4.4
145.05075	1.6
151.04016	1.3
152.04300	1.2
157.05028	2.9
159.03136	1.1
161.04599	11.1
174.93903	1.3
175.06137	49.8
176.06532	1.8
179.05589	3.9
181.05077	2.8
191.03497	1.4
199.06094	1.3
215.05521	1.3
235.05931	1.3
235.08229	2.7
247.80559	1.1
265.12878	11.2
279.10889	7.2
297.11981	1.4
353.14304	1.1
361.11319	4.4
397.01822	1.9
397.12085	1.2
397.16962	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
57.03449	2.2
58.00595	1.0
59.01381	94.2
61.98832	14.0
69.03471	3.7
69.54877	6.8
71.01386	25.7
71.05025	100.0
71.09557	0.8
72.05362	1.5
72.99314	2.9
73.02954	11.5
75.00916	2.2
78.95943	1.1
81.03490	1.2
83.01408	6.3
85.02962	12.0
87.00893	2.8
87.04540	2.2
89.02455	11.1
94.54649	0.8
95.01410	2.9
95.05021	1.0
96.96013	1.5
96.96996	1.9
97.02995	1.0
98.20632	0.9
99.00897	2.7
99.03893	1.1
99.04535	25.1
101.02459	41.4
111.00913	1.3
113.02466	25.3
113.03239	1.8
113.43466	0.9
115.04028	16.3
117.05593	16.1
119.03529	7.1
119.05032	1.1
125.02473	5.5
131.03534	3.7
139.04031	1.0
143.03505	13.0
147.06708	1.0
147.08163	1.8
149.04581	2.4
157.05055	2.7
159.03004	1.6
160.97020	0.9
161.04585	9.6
163.04033	1.1
167.03508	0.9
169.01503	1.2
175.06139	46.9
176.06432	1.6
179.05669	1.6
181.04930	0.9
191.07169	1.0
197.04549	1.1
205.04990	1.2
215.05661	2.7
217.07156	1.2
221.06592	1.4
235.06142	1.9
265.12903	9.8
289.28482	0.9
359.09924	1.1
366.14365	1.0
397.02185	1.1
397.12277	1.7
397.16925	9.4
398.17294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.6
60.99309	14.2
61.98837	5.6
71.01385	3.1
71.05045	0.3
71.37286	0.4
71.64687	0.3
71.71416	0.5
72.99325	0.8
73.02958	1.1
74.99122	0.5
75.00878	0.9
78.08223	0.3
79.95753	0.4
82.95412	0.4
83.01382	0.6
85.02956	1.4
87.00883	0.5
88.98818	100.0
89.02444	2.2
89.99125	0.9
93.03488	0.9
95.01403	0.4
99.00876	0.5
101.02467	2.9
103.03983	0.4
109.02973	1.0
113.02481	1.1
115.04026	0.9
118.47382	0.3
118.98112	2.4
119.03562	0.7
119.05042	3.5
120.05409	0.4
121.02946	0.8
123.00877	0.6
123.04567	2.0
125.02445	1.2
129.05609	0.4
134.03680	0.8
137.02472	6.2
141.84526	0.3
143.03522	0.4
145.03377	0.3
147.04608	0.3
149.02475	1.1
150.03258	1.6
151.04028	7.4
153.01996	0.5
158.13895	0.3
161.04547	1.1
161.05991	0.4
163.03973	1.6
166.02672	0.4
169.01411	0.4
179.03612	0.4
181.05084	1.4
187.07953	0.3
189.01973	0.4
197.04585	0.5
197.08260	0.3
198.05266	0.6
199.06172	0.4
201.00366	0.5
205.05072	0.6
215.09366	0.5
216.99815	0.5
237.06261	0.4
239.74467	0.3
242.99925	0.4
253.07269	0.6
253.15347	0.3
256.92975	0.5
263.00467	0.5
305.06729	0.9
335.10013	0.5
335.13452	1.7
335.17114	1.0
359.10242	0.6
369.62744	0.4
395.04883	6.4
395.15408	1.1
406.24600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.6
59.01379	100.0
60.01714	1.3
61.98835	3.5
69.35010	0.6
69.35344	3.7
71.01385	7.7
72.99306	0.7
73.02981	0.4
85.02978	1.1
87.00892	0.7
88.98829	0.9
89.02454	12.2
90.02795	0.3
95.01383	0.6
96.96024	0.6
101.02446	4.3
113.02458	2.8
119.03498	3.7
120.99659	0.4
125.02502	0.4
131.03584	0.4
141.71530	0.4
143.03499	0.8
161.04611	1.0
179.05655	2.6
204.90132	0.3
206.10591	0.3
212.46696	0.3
333.26624	0.5
334.79321	0.4
393.15433	0.7
393.23001	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	394.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.2
61.98831	26.5
71.01378	3.6
71.10512	1.9
89.02455	2.3
91.93111	0.7
92.76393	0.8
101.02445	1.1
107.01402	2.3
111.00912	1.1
123.00889	1.5
124.01718	1.9
125.02462	25.1
127.00346	0.9
136.98833	1.2
139.00394	1.2
139.03973	1.7
140.01167	3.3
151.00400	1.0
153.01920	0.7
163.80527	0.7
163.95058	0.7
167.03464	1.2
168.00652	15.0
169.01439	40.6
169.05016	1.3
170.01808	0.8
183.02960	0.7
211.02481	58.3
212.02763	2.2
221.93608	0.8
241.03481	4.8
242.03851	1.0
271.04568	100.0
272.04959	7.7
331.06699	60.5
331.64246	0.7
332.07190	5.5
339.85043	0.7
405.47501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51944	0.6
59.01382	23.5
60.01715	2.4
61.98831	100.0
69.80241	4.1
71.01382	3.3
72.99326	3.5
73.02964	1.1
83.01414	0.8
85.02968	1.0
87.00903	1.0
89.02472	1.2
98.19898	1.2
99.00935	0.7
101.02464	2.4
113.02444	1.5
117.03481	10.4
118.03804	3.6
119.05064	1.2
120.99673	1.2
121.02964	5.3
122.03328	1.3
123.04552	1.7
133.02959	1.2
136.47849	0.6
145.02975	18.7
146.03308	6.2
151.00433	1.0
161.04630	0.9
162.03302	2.2
163.03949	1.0
178.99869	0.8
214.02655	1.0
223.07762	0.7
239.53795	0.7
242.02176	0.8
243.02863	0.7
244.03773	0.6
254.19040	0.7
259.02548	1.0
259.05212	0.6
260.02939	0.7
270.01721	1.1
271.02496	5.2
271.05298	1.5
272.02872	3.5
287.02017	3.6
287.04907	1.6
288.02448	2.8
289.02866	0.7
291.08896	1.7
312.05585	6.2
312.55801	29.8
313.05969	11.2
313.56046	1.6
315.01227	0.9
315.04440	1.7
316.02243	10.9
317.02698	8.4
318.03070	2.1
335.20865	1.0
349.04889	3.5
351.05292	1.0
376.20877	0.7
377.04364	4.9
394.21631	17.9
394.26321	1.0
395.05374	11.3
395.21802	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	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
56.31350	0.5
57.03447	1.5
58.00589	3.9
59.01380	100.0
60.01707	0.9
67.41068	0.5
69.47855	5.5
69.48163	0.5
71.01386	62.2
72.01705	1.0
72.37262	0.5
72.99321	4.0
73.02953	60.3
74.03284	0.6
83.01401	3.4
85.02961	12.1
87.00887	2.5
87.83151	0.5
89.02454	89.6
90.02786	0.9
95.01424	3.5
97.02984	0.8
99.00886	2.3
101.02453	36.0
107.01417	0.7
110.73083	0.5
113.02467	20.2
119.03514	21.6
123.00903	0.9
125.02461	6.9
125.09738	8.8
129.01964	1.6
131.03525	42.4
132.03905	1.2
132.87024	0.6
143.03502	5.9
149.04573	15.2
161.04594	5.1
169.01462	9.5
169.08685	5.2
170.01740	0.9
179.05646	15.7
179.07056	0.6
181.12326	4.4
182.05887	0.8
191.05632	16.6
192.05859	0.7
199.13420	12.6
200.13727	0.8
225.11322	1.5
241.03535	1.8
243.12363	62.4
244.12645	4.1
245.04482	0.5
261.13477	3.1
317.04242	3.1
317.54373	1.0
378.03119	0.6
393.17676	37.6
393.28595	1.3
394.17685	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	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
57.03441	1.0
58.00594	3.3
59.01382	84.4
60.01712	1.0
61.98828	0.8
66.22137	0.4
69.03450	0.6
71.01389	59.1
72.01701	0.4
72.99321	3.0
73.02954	15.5
75.00912	0.5
79.64532	0.4
81.03461	0.6
83.01406	2.1
84.34406	0.4
85.02970	8.3
87.00880	2.8
87.04522	0.4
89.02457	100.0
90.02789	1.5
95.01411	2.8
97.02965	1.4
99.00898	23.3
100.68022	0.4
101.02461	37.4
102.02812	0.8
107.01389	0.6
113.02472	17.3
115.04064	0.6
119.03529	13.9
120.03918	0.5
125.02471	6.5
126.47480	0.4
131.03534	15.2
136.00812	0.4
143.03522	3.5
149.04590	51.8
150.04939	0.7
158.74493	0.4
161.04607	4.4
167.07130	0.6
169.01463	4.4
179.05630	8.9
191.05652	12.7
191.13486	0.5
192.06004	0.8
221.06575	2.2
233.06621	1.0
251.07686	3.7
261.13422	1.7
293.08701	0.8
302.75983	0.4
311.10205	0.4
317.03918	0.6
393.17664	27.8
393.28592	1.6
394.17908	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	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
58.00591	1.1
59.01381	38.3
61.82650	0.7
69.03438	0.6
70.13989	0.6
71.01385	24.7
71.06115	1.4
72.99309	1.4
73.02952	96.8
74.03290	1.8
83.01381	0.9
85.02934	3.9
87.00907	0.6
89.02454	20.8
93.03492	0.7
99.00883	0.7
101.02443	6.7
101.06087	0.6
106.98908	0.7
107.01405	1.9
113.02493	3.5
121.86354	0.6
125.02472	8.2
125.09739	14.2
130.85452	0.6
131.03459	1.0
137.02437	0.8
149.04555	1.8
161.04550	1.8
169.01436	11.3
169.08730	9.8
170.01791	0.8
181.12363	5.4
184.12973	0.6
199.13409	25.6
200.13730	1.4
200.74614	0.6
201.11295	0.7
211.02704	0.9
225.11359	3.0
241.03474	2.0
243.12361	100.0
244.12683	6.0
261.13394	10.3
317.04068	3.3
333.15607	1.7
339.46289	0.6
393.17651	76.1
394.17841	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	393.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97652	0.2
59.01377	3.1
60.88626	0.2
61.98831	100.0
62.98534	0.4
71.01390	1.5
71.65497	0.3
72.99353	0.3
78.22787	0.2
78.95914	1.3
79.66778	0.2
81.68019	0.2
85.02958	1.1
89.02455	1.4
95.01415	0.5
96.96063	0.3
96.96960	1.5
99.00877	0.3
99.02763	0.3
101.02446	0.6
107.01389	0.5
109.02972	0.2
110.98564	0.3
111.00875	0.4
113.02446	0.5
116.31044	0.2
119.03498	0.3
119.05047	1.3
122.06167	0.4
123.00887	1.3
125.02461	2.5
126.98890	0.3
135.04544	0.3
139.00446	0.3
143.01799	0.3
149.02467	0.3
150.03273	0.3
150.05621	1.4
151.00397	0.9
151.04013	0.4
151.05951	0.2
153.01994	0.3
153.05679	0.3
161.04591	0.3
163.04092	0.6
165.05615	0.3
168.00655	0.3
169.00046	0.3
169.01434	4.2
169.10773	0.2
171.01883	0.4
174.99210	0.3
181.05099	0.6
199.00781	0.6
211.02461	1.2
215.00439	0.2
222.06357	0.2
236.05652	0.2
241.03645	0.3
261.00763	0.2
271.04645	2.5
273.08350	0.4
300.99881	0.3
301.10855	0.3
312.11035	0.3
326.93979	0.2
330.11972	1.0
331.06705	8.5
333.09006	0.4
351.06110	0.6
357.13327	0.6
393.04538	1.6
393.14102	0.2
394.10120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.3
69.89877	3.3
71.01384	3.2
72.99307	1.3
75.00877	2.1
79.95744	8.1
80.96516	0.7
85.02954	0.7
89.02452	3.2
93.03458	0.6
96.96032	2.4
101.02453	1.0
111.00830	0.7
112.98839	0.7
115.23268	0.5
119.05045	64.6
120.05367	2.0
135.04538	12.3
163.04031	29.5
181.05087	22.3
182.05479	0.7
199.00725	29.5
200.01053	1.2
213.95447	0.5
215.00209	16.5
216.00465	0.8
223.06134	0.5
241.00185	1.5
242.99635	2.9
247.55688	0.5
261.00729	9.7
313.09442	3.8
350.27930	0.5
381.00168	0.5
393.04935	100.0
394.05255	8.0
394.10397	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	393.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48148	0.4
59.01380	10.7
61.98830	12.9
62.92707	0.4
69.77607	3.1
71.01393	5.0
72.99292	2.1
73.02948	0.7
75.00879	3.6
79.95747	7.8
80.91689	0.7
80.96524	0.8
82.63640	0.4
83.01408	0.5
85.02972	1.9
87.00887	1.2
89.02457	4.3
93.03462	1.1
95.01365	0.4
95.05123	0.5
96.96014	0.8
98.19755	0.5
99.00893	0.7
99.02764	0.7
99.92593	0.5
101.02447	1.7
107.05016	0.5
111.00902	1.0
113.02469	1.2
113.14041	0.5
116.92873	1.0
119.05039	73.9
120.05389	3.2
123.00919	0.8
125.02459	2.2
129.05598	0.6
134.03708	0.7
135.04533	14.3
136.04932	0.6
137.06032	0.7
143.01736	1.4
149.02423	0.6
150.03218	1.0
151.04056	1.2
161.04596	0.5
163.04021	32.7
164.04376	1.3
165.05592	1.6
169.01447	3.1
170.01823	0.9
175.03914	0.5
177.05602	1.2
179.03532	0.7
179.05576	0.5
181.05083	20.2
182.05403	1.0
195.06618	0.8
198.80786	0.4
199.00714	33.1
200.01073	1.8
201.10229	0.7
215.00209	17.9
216.00404	0.8
223.06079	0.5
231.08920	0.7
236.77075	0.4
242.99617	4.2
249.60387	0.4
257.12997	0.8
261.00726	12.1
262.00836	0.7
271.04718	0.8
275.02020	1.1
287.13986	1.8
300.99875	1.4
302.00348	0.7
313.09244	5.4
314.09628	0.7
315.54153	0.4
316.53638	1.9
317.03583	0.9
331.13055	1.7
333.08429	1.1
333.15552	1.0
349.14078	1.4
375.07898	0.5
392.53656	1.7
393.04941	100.0
394.05267	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	392.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	0.4
59.01383	5.7
61.98831	100.0
62.45364	0.3
67.01888	2.5
68.02236	0.8
71.01390	2.1
71.68405	0.3
72.99339	0.6
73.02966	0.8
74.02496	0.8
74.14155	0.3
75.00872	0.7
85.02986	1.2
85.81042	0.3
86.02480	0.5
87.00900	0.8
89.02440	1.7
90.02929	0.3
95.01398	0.8
97.02969	0.5
99.00929	0.8
99.02769	1.3
99.04552	0.7
99.05663	0.8
99.92617	0.4
101.02446	1.8
107.01394	1.6
109.02973	0.7
111.00893	20.9
112.01230	8.5
113.01326	0.6
113.02480	1.2
119.03561	0.3
119.05023	2.4
120.99691	0.4
122.88784	0.3
123.00906	1.6
123.04630	0.3
124.07761	0.6
125.02464	5.2
126.02848	0.9
128.03534	1.9
135.04543	0.9
138.05698	0.5
139.00392	0.6
143.01758	1.9
143.03583	0.5
143.04564	1.6
145.02988	0.5
149.02521	0.8
150.03227	0.5
151.00389	0.4
151.04030	0.6
151.07735	0.4
152.07184	5.5
161.04543	0.8
163.04073	1.4
165.05614	0.9
168.00616	0.5
169.01439	6.1
170.01869	0.7
173.02399	0.8
181.05113	0.8
185.02480	0.6
197.58694	0.4
199.00684	0.8
201.01999	0.9
203.03569	0.6
210.08899	0.4
215.00104	0.6
229.01530	0.7
231.02983	0.8
245.00949	0.5
247.02507	0.4
249.04036	0.7
250.04659	0.6
254.07860	0.9
257.00912	0.7
258.01578	0.4
271.09531	0.4
272.08932	0.9
274.01010	0.5
275.01953	3.3
276.02362	0.9
280.11154	0.5
283.99637	0.3
300.99896	7.0
302.00189	2.5
303.00409	0.5
310.09436	0.3
316.03284	3.6
316.53278	0.7
317.03708	0.4
333.15771	0.7
374.14334	0.3
377.53436	0.4
383.33853	0.4
391.53247	5.0
392.03625	4.4
392.10992	0.5
392.15445	1.5
392.54318	0.5
393.04837	3.1
393.09058	0.5
393.17923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90643	0.2
59.01380	1.1
60.63720	0.2
61.98832	100.0
65.32339	0.2
70.82806	0.6
70.83174	0.3
90.54015	0.2
98.20567	0.2
125.02534	0.2
139.76843	0.2
160.13063	0.2
163.91843	0.2
164.79581	0.2
235.42792	0.2
309.36633	0.2
349.23941	0.3
393.22614	1.1
393.27264	0.4
399.03235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.05
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14716	0.3
55.56131	0.3
59.01384	10.7
61.98840	4.7
70.08604	1.2
70.09022	0.9
71.01388	3.7
72.99326	1.8
75.00891	1.6
79.95747	7.1
79.96182	0.7
80.96541	1.2
85.02962	0.7
87.00895	0.6
89.02457	2.8
90.55966	0.3
93.03442	0.7
96.96034	0.9
101.02446	1.3
102.98606	0.4
107.05029	0.7
113.02505	1.0
119.05048	69.7
120.05405	2.4
121.02959	0.5
125.02473	1.2
135.04552	12.6
136.04898	0.6
161.04584	1.3
163.04037	32.1
164.04391	1.6
165.05551	0.5
169.01427	1.1
171.97757	0.3
181.05093	24.1
182.05481	1.2
199.00729	28.4
200.01027	1.1
215.00211	15.4
216.00436	0.6
241.00256	0.4
242.99739	2.6
261.00735	9.5
262.01172	0.4
275.01694	0.4
301.00012	0.7
313.09286	3.3
314.09659	0.5
392.53500	0.7
393.04980	100.0
394.05325	9.0
394.87354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2491
Annotation	Vladimuliecin B
Peak:m/z	Relative Intensity
59.01381	20.9
61.98840	2.2
69.50443	2.3
70.43246	0.3
71.01382	0.4
89.51491	0.3
96.96053	0.4
98.11587	0.3
117.37094	0.3
178.86156	0.3
213.72813	0.3
271.20691	0.3
300.99506	0.3
303.19629	0.4
306.51657	0.3
315.19739	0.6
319.22717	0.9
329.24832	1.0
331.22775	61.6
332.19302	0.6
332.23117	8.3
334.25055	0.3
345.24362	0.6
347.22153	0.5
347.25806	2.8
348.26083	0.4
373.24319	0.4
391.24893	100.0
392.25220	12.9
392.30383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76595	0.2
54.19633	0.2
59.01381	3.7
60.01717	0.3
61.98833	100.0
62.83018	0.2
69.41938	1.8
71.01392	1.1
72.70485	0.1
72.99313	0.2
73.02950	1.7
74.03276	0.3
85.02975	0.2
88.61876	0.1
89.02451	0.8
97.02977	0.2
101.02490	0.5
107.01431	0.4
111.00895	0.2
111.04536	0.2
113.02503	0.3
123.00893	0.6
123.04543	1.4
123.08193	0.4
124.01678	0.2
124.08510	0.4
125.02450	2.4
135.04575	0.2
137.02469	0.3
161.04637	0.2
167.03514	5.4
167.07147	1.5
168.07509	1.3
169.01451	2.6
184.37257	0.2
195.06779	0.2
197.11882	0.3
198.12209	0.2
209.04576	0.3
241.10793	0.8
242.11115	1.5
243.11409	0.2
257.01370	0.2
275.01959	0.5
300.99991	1.6
302.00366	0.2
316.03320	0.8
316.53671	0.3
317.04013	0.3
318.12979	0.2
329.08786	1.1
333.15704	0.6
392.03751	0.6
392.08621	0.2
392.16510	3.8
392.54224	0.3
393.04834	0.3
393.17285	0.4
393.21820	0.2
398.90009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56245	0.2
57.03453	0.3
58.00600	0.2
59.01378	100.0
60.01714	1.4
61.98843	0.5
67.71510	0.2
69.39542	2.0
71.01386	5.0
72.99309	0.2
73.02968	1.4
83.01411	0.5
85.02959	2.0
87.00895	0.3
89.02456	1.5
95.01402	0.4
95.35756	0.2
99.00881	0.5
101.02450	3.0
111.00919	0.3
113.02452	1.9
119.03528	0.6
120.99638	0.2
123.00945	0.2
123.04416	0.2
125.02453	0.5
143.03564	0.3
159.03038	0.5
161.04565	2.9
168.33582	0.2
169.01471	0.4
179.05630	0.4
278.04578	0.2
325.67542	0.2
331.17584	1.9
370.46680	0.2
391.19324	0.9
391.23489	1.7
391.27499	0.5
392.23663	0.3
400.08810	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03456	1.3
58.00602	0.3
59.01380	100.0
60.01722	1.0
61.98834	1.0
63.96241	0.5
67.48759	0.3
68.99828	0.7
69.03477	0.5
70.78220	0.3
71.01383	12.5
71.05027	0.6
71.73058	0.5
72.01736	0.3
72.99329	0.8
73.02953	4.0
73.03337	0.4
74.99111	1.1
75.00869	0.5
81.03475	0.6
83.01388	1.7
83.05029	0.9
85.02956	6.3
87.00887	1.2
87.04538	1.2
89.02457	3.7
93.03467	11.7
94.03811	0.7
95.01398	3.2
96.96071	0.3
96.99351	0.8
97.02982	0.4
97.06606	0.7
99.00864	1.4
101.02453	8.0
101.06104	0.6
108.02185	13.4
109.02972	16.7
109.06574	0.6
109.79009	0.3
110.03323	0.4
111.00887	0.4
113.02447	5.6
115.07719	0.6
119.01762	0.5
119.03526	1.8
119.05064	0.4
120.99686	0.6
121.02963	0.8
123.00901	2.9
123.08180	0.7
124.01685	0.9
125.02473	1.1
125.09715	0.5
126.05761	0.3
127.07658	1.8
129.09253	0.9
134.04698	0.3
135.04520	0.8
135.98399	0.6
136.01686	1.9
136.99173	1.1
137.02464	27.0
137.09763	0.7
138.02875	1.0
139.11316	0.8
143.03549	0.7
143.10780	0.6
147.04549	0.5
149.02464	0.6
151.04065	0.8
159.03021	0.7
159.10347	0.3
161.02470	0.4
161.04581	5.0
162.04929	0.3
163.03975	0.3
166.99919	1.2
167.10838	0.7
168.00665	2.3
169.01349	0.4
173.11916	0.4
175.02745	0.3
176.61803	0.3
179.03539	0.5
179.05637	0.9
179.07077	0.3
181.12378	0.7
183.10289	1.6
187.13434	0.4
191.03506	0.5
195.06639	0.5
217.10991	0.4
217.14464	0.4
221.04607	0.5
229.05084	1.5
231.12321	0.7
237.09787	0.5
241.14473	1.0
243.12375	3.9
245.17633	0.4
281.06668	21.6
282.07019	1.4
303.15994	0.4
331.17606	3.5
341.06320	0.3
343.12079	0.5
359.07941	0.4
361.12991	0.3
373.22430	0.3
375.00137	0.3
391.10373	33.1
391.15866	2.6
391.17783	2.0
391.27274	5.2
392.10672	4.1
392.18918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37675	0.4
55.01900	0.6
57.03455	1.7
59.01380	100.0
60.01721	1.3
61.98827	1.1
66.05385	0.4
71.01389	9.6
71.69450	0.5
71.69849	0.4
72.99318	0.9
73.02954	3.3
74.99118	0.8
75.00867	0.5
83.01396	1.3
85.02957	3.9
87.00898	1.3
87.04529	1.9
89.02454	7.2
89.02972	0.5
93.03457	0.9
95.01395	1.1
97.06624	1.1
99.00922	0.8
101.02460	7.1
109.02961	0.8
109.06602	2.9
113.02465	4.1
114.01482	0.7
119.03512	3.0
120.99670	22.7
125.02485	0.7
127.07663	15.9
128.08063	1.0
131.03546	0.5
133.10274	0.4
135.98386	0.6
136.99147	0.5
137.02428	1.1
137.09744	0.7
138.76762	0.4
139.19182	0.4
143.03500	1.0
149.02550	0.5
150.03355	0.5
153.05632	1.0
156.13982	0.6
159.03131	0.5
159.10378	0.7
160.53255	0.4
161.04584	4.5
165.05652	0.5
166.99844	0.6
168.00708	0.7
168.14052	0.5
171.06799	0.4
173.08223	1.6
179.05663	1.7
184.13451	1.1
212.12900	0.8
217.14523	0.5
227.35181	0.5
230.14040	1.3
237.09750	2.3
237.13353	0.5
255.14322	0.6
257.04684	0.4
269.14258	0.4
281.06650	0.7
285.15155	2.3
303.16385	3.5
331.17633	5.3
379.96722	0.5
391.17719	17.9
391.23221	0.6
391.27124	2.8
392.19366	6.7
403.17456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.6
59.01382	30.3
66.31479	0.7
69.73115	1.3
69.73515	3.6
70.92368	0.7
71.01387	17.6
73.02955	44.5
74.03326	0.7
83.98884	0.9
85.02966	2.6
89.02456	17.5
98.20547	0.9
101.02453	1.2
105.07119	2.3
107.05032	2.1
113.02409	1.3
121.06594	1.8
123.08181	19.6
131.03554	1.3
149.04588	2.2
167.07155	89.2
168.07521	5.0
179.10757	2.9
195.28580	0.9
197.10446	0.9
197.11870	9.5
241.10812	67.6
242.11169	6.3
259.11896	1.2
269.88538	0.8
317.12439	11.3
318.12711	1.2
324.36267	0.9
391.16107	100.0
392.16400	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	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20390	0.4
58.31760	0.4
59.01377	5.4
61.98829	100.0
63.99241	0.5
71.66817	0.6
96.96043	0.4
113.16722	0.4
120.33559	0.4
149.22728	0.5
177.33247	0.4
228.46997	0.4
279.81024	0.4
301.21863	0.4
327.21695	1.3
329.21216	0.6
390.24161	0.8
391.21198	1.7
391.25790	1.9
391.29773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
60.24355	0.3
61.98834	100.0
69.38749	2.2
69.39182	1.6
95.22697	0.3
166.53125	0.4
216.74252	0.3
237.67346	0.4
241.53038	0.3
259.43579	0.4
264.99240	0.3
317.20544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07329	0.6
51.63089	0.6
52.40480	0.6
54.42893	0.6
55.01867	1.2
57.03443	0.6
58.00594	1.6
59.01379	47.9
61.98818	1.9
69.03454	0.8
69.53215	0.6
71.01385	22.9
71.02357	1.4
72.99289	2.7
73.02950	49.2
85.02962	3.4
87.00837	0.7
89.02454	24.1
90.02783	0.7
99.04511	0.9
101.02442	2.0
105.07107	2.7
107.05031	2.4
113.02460	2.7
118.06631	0.8
120.99682	1.9
122.06129	2.2
123.08170	20.9
124.08495	1.0
125.02443	1.9
131.03513	1.8
134.06172	0.8
136.07698	0.7
139.84978	0.6
146.06108	1.0
147.65312	0.7
148.04053	1.7
149.04562	2.4
150.05585	1.9
160.04054	4.1
161.04707	1.8
162.05647	1.0
167.07146	78.7
168.07491	4.0
169.01395	1.1
178.05112	2.4
179.10794	2.1
185.08144	1.9
194.64455	0.6
197.11810	12.6
198.12187	0.7
200.95654	0.6
223.09793	1.5
224.08641	0.7
224.10826	1.9
227.08325	1.0
237.06653	0.8
241.10815	54.8
241.13150	1.8
242.11263	4.1
243.11359	2.5
252.08958	3.6
255.11464	1.3
259.11697	3.2
260.12714	0.8
267.11371	13.7
268.11652	1.4
270.09998	0.8
275.02023	1.1
285.12448	10.9
293.09406	1.2
300.99905	1.7
303.13562	1.4
311.10202	2.1
316.03229	1.3
317.12332	7.8
329.11435	8.7
344.14340	0.7
347.12369	2.4
373.10281	5.6
374.10657	0.9
391.11478	7.1
391.16061	100.0
392.16309	11.4
397.77155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41043	0.2
59.01381	1.0
61.28488	0.2
61.98834	100.0
70.84616	0.5
70.85001	0.5
82.90136	0.2
150.05753	0.2
196.50414	0.2
197.11790	0.4
206.83099	0.3
249.69405	0.3
292.29770	0.3
298.41519	0.3
327.21777	1.5
331.52869	0.2
391.25125	0.4
391.29953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98832	100.0
64.77868	0.4
69.58206	3.2
103.85289	0.4
117.03547	0.5
145.02989	1.6
145.15044	0.4
185.42171	0.3
232.14468	0.4
262.05368	0.4
285.04178	0.9
307.71729	0.4
307.92178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
61.98830	100.0
62.98538	0.3
71.24197	0.2
71.24516	0.2
73.79460	0.1
145.02968	0.1
158.69125	0.1
194.57291	0.1
197.11867	0.2
199.13560	0.1
199.74460	0.1
327.21783	1.9
348.45303	0.1
390.23788	0.5
391.17111	0.2
391.21271	0.5
391.25104	0.5
391.29980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.4
61.98832	100.0
71.73210	0.4
71.73621	0.4
95.11401	0.3
137.57663	0.4
145.03006	1.0
229.14516	0.5
241.27237	0.3
285.04126	0.5
346.93152	0.4
353.36346	0.3
390.23560	0.7
390.27802	0.6
391.24988	1.4
391.29272	1.1
413.71967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59566	1.5
57.03438	2.3
57.79383	1.4
58.02975	9.6
59.01377	21.6
61.98836	18.5
67.01890	6.2
68.05019	1.6
69.97456	7.8
71.01384	11.9
71.05026	1.9
73.02950	3.3
74.02481	22.6
74.99098	2.2
75.00883	3.0
75.97013	1.1
78.95889	2.4
81.03458	1.4
82.02985	3.2
83.01398	2.6
84.14549	1.2
85.02943	4.5
85.04097	1.3
86.02500	9.2
86.06133	1.7
86.99133	1.3
87.05647	5.6
87.82811	1.5
89.02461	7.6
90.00207	1.5
95.01389	6.1
96.04570	3.3
96.96030	3.0
96.96964	3.7
97.02958	2.7
97.04058	2.9
98.19939	2.7
99.00862	1.7
99.05645	18.8
101.02445	5.5
101.07209	4.7
102.05629	4.0
105.56230	1.3
107.01409	4.0
108.02197	2.8
109.03014	1.9
109.04067	3.8
111.00898	50.1
111.05676	1.8
112.04049	3.6
113.02454	5.5
115.77060	1.3
116.01811	1.8
117.97305	4.1
119.03494	2.9
119.04996	1.5
120.01239	2.8
120.99687	1.5
121.02975	1.9
123.00923	9.7
123.04533	8.3
123.05609	1.8
124.01204	1.3
124.07722	1.4
125.02471	24.9
125.03407	2.4
126.02800	3.7
127.05124	5.6
128.03551	51.4
129.01994	1.3
129.03862	1.6
133.03009	2.2
135.04558	2.0
135.05638	5.4
136.01689	1.4
136.04865	1.6
136.99103	2.6
137.02431	2.7
138.05634	2.3
139.00374	4.8
139.80244	1.3
140.01129	2.4
141.01913	4.3
141.05701	1.3
141.06706	5.7
143.04639	69.8
144.04970	2.1
145.02954	5.0
145.06204	3.2
146.04611	5.8
147.04465	2.9
149.02455	6.2
150.03268	8.9
150.05621	2.6
151.00357	3.7
151.03894	1.4
152.00786	3.5
153.01944	2.5
153.05574	3.2
153.06734	4.6
154.02682	2.7
154.05957	1.8
155.08206	1.7
160.00740	19.7
161.02422	2.2
161.04565	2.4
163.00348	2.3
163.03992	1.7
165.01978	1.5
165.05563	9.2
166.05107	2.8
166.09889	2.3
167.04614	3.7
167.07050	2.8
167.08342	2.7
168.00671	3.4
169.01454	17.8
169.05080	4.2
170.01770	3.9
170.03163	1.4
173.02461	4.2
175.04024	2.3
177.01871	4.8
177.03384	8.2
179.04608	12.9
185.02528	3.0
185.05742	2.0
189.01923	3.3
190.02820	1.4
191.03505	2.8
195.02959	4.2
195.06610	5.4
197.05678	2.1
201.01846	3.5
203.03490	5.8
210.08897	12.3
211.02565	1.5
213.05446	1.5
217.01419	3.7
229.01370	9.0
229.07063	1.7
231.02888	4.1
237.06007	1.4
241.10909	1.7
245.00829	2.1
247.02399	3.0
249.03940	3.4
254.07791	23.2
257.00885	4.8
258.01694	1.7
272.08865	36.3
273.00281	3.7
273.09088	2.5
275.01953	16.5
283.88043	1.6
283.99606	1.4
288.06607	12.8
299.99170	2.5
300.97153	1.0
300.99911	44.7
301.03241	3.8
306.07660	100.0
307.07971	5.4
377.03244	3.8
382.02426	4.3
390.11044	37.5
391.03073	56.7
391.10864	2.9
391.16107	3.6
391.53091	4.6
410.52051	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	389.2701
Annotation	Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3b,5b,6a)-
Peak:m/z	Relative Intensity
51.02901	0.2
59.01379	2.8
59.17706	0.2
61.98833	1.5
70.88723	0.2
71.69598	0.4
71.70019	0.3
104.14528	0.3
137.02409	0.3
198.29280	0.2
214.57968	0.3
336.27066	0.3
345.28052	0.4
371.25949	1.2
389.26978	100.0
390.27301	14.3
399.09583	0.3
399.69464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64620	0.6
59.01378	100.0
60.01709	1.4
61.98833	7.0
67.06244	0.7
71.43496	0.6
84.94906	0.6
90.21487	0.6
98.20647	1.0
101.02484	0.7
139.09151	0.6
184.25121	0.6
192.82121	0.6
193.40872	0.6
224.56400	0.6
329.30719	1.1
389.27014	14.1
390.27325	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	390.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66927	0.8
52.01896	1.5
55.01863	1.4
59.01381	12.5
61.32841	0.8
61.98830	18.9
65.73548	0.7
67.01884	1.9
69.03460	1.1
69.93295	0.8
71.01389	9.0
71.67196	0.8
72.99314	1.2
73.02946	2.8
73.84676	0.8
75.00882	1.3
78.95904	1.1
80.05064	5.9
83.01392	2.7
85.02964	4.7
87.00886	12.8
89.02441	3.5
92.05049	2.0
93.00269	0.8
94.06622	3.9
95.01399	1.7
96.96938	1.4
97.02937	0.8
99.00893	1.3
101.02454	5.1
104.05059	0.9
106.06676	1.2
108.04513	0.9
111.00904	7.6
113.02440	4.3
117.00417	1.0
120.04568	2.5
121.04441	1.1
121.05352	58.4
122.06145	79.3
123.06479	3.1
124.04055	8.0
125.02447	3.9
128.03522	1.9
136.04018	1.3
137.02458	1.5
139.00414	1.3
143.04642	1.7
145.03032	1.1
148.04076	2.3
153.01955	1.6
161.04494	1.6
164.07162	2.1
165.04332	80.3
166.05115	88.4
167.05431	3.3
168.06650	1.6
169.01413	8.1
171.20004	0.9
184.06142	1.8
187.04526	1.3
201.20737	0.9
208.06102	3.0
210.04102	1.3
217.01689	1.0
229.01457	1.6
233.42720	1.0
238.07082	1.0
272.08884	1.0
275.01920	1.8
300.99881	4.2
306.07742	2.6
328.10370	59.8
329.10687	4.5
331.08627	4.1
346.11404	6.2
372.09384	2.6
382.02405	1.5
390.10428	100.0
391.03317	7.4
391.10757	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	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
52.88898	0.2
57.03448	0.6
58.00597	0.3
59.01380	5.2
69.03461	0.4
71.01395	3.0
73.02954	0.7
83.05054	0.2
85.02948	1.6
87.02735	0.5
87.23025	0.2
89.02451	2.7
95.01418	0.5
98.20676	0.3
101.02446	1.8
111.08171	1.4
113.02481	2.9
119.03505	0.8
119.75953	0.3
153.67302	0.2
161.04587	0.9
163.11330	0.5
165.12865	21.5
166.13190	1.2
176.01202	0.2
179.05595	0.5
181.12311	0.6
183.13916	73.9
184.14247	5.1
191.10762	0.3
195.13889	0.3
197.10019	0.3
197.15500	1.9
207.13908	1.4
209.11862	2.1
225.15005	1.6
227.12895	100.0
228.13232	7.6
251.12880	2.6
259.13733	1.4
269.14008	1.7
293.13968	0.5
329.16135	0.4
347.15463	0.3
389.08511	0.2
389.18106	4.5
390.18448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	57.6
59.02495	7.8
61.98822	38.2
69.03447	9.3
69.50578	82.1
73.43406	8.1
78.98600	9.8
79.95768	12.2
80.96535	51.5
94.98085	19.4
98.19715	9.4
164.98653	11.8
179.10721	13.3
180.41106	8.2
197.11807	34.8
225.00682	15.5
237.22177	19.7
255.23280	41.6
295.31079	8.6
299.04355	22.7
341.62650	8.9
389.19135	100.0
389.26660	9.7
389.69318	22.5
390.19528	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	389.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80150	0.4
55.01883	1.0
57.03443	0.9
58.00598	0.9
59.01380	17.7
61.98836	3.9
66.44653	0.4
67.01884	0.9
69.03472	0.6
69.67262	2.1
69.67693	1.0
71.01388	14.9
72.99320	2.7
73.02951	3.6
74.77772	0.4
74.99103	2.8
75.00879	57.8
76.01250	0.5
79.01894	0.8
81.03463	0.7
83.01403	2.9
85.02958	6.3
87.00880	2.6
88.98815	0.4
89.02463	8.0
93.03487	1.0
95.01408	3.5
97.02956	1.0
99.00906	2.6
101.02457	11.3
105.42281	0.4
107.01389	3.6
109.02957	0.7
111.00907	3.0
113.02467	6.1
114.81943	0.4
117.01952	1.3
119.03523	2.7
120.99674	1.2
123.00903	15.9
123.04433	0.4
124.01730	0.7
125.02467	19.1
127.00385	1.0
129.01950	0.7
135.04549	0.8
136.99089	2.9
137.02481	2.6
139.00394	4.7
139.02917	0.5
140.01189	4.1
141.01952	2.6
148.49706	0.5
151.00400	13.7
152.01076	0.5
153.01953	2.0
159.02940	0.5
161.04553	1.2
163.04024	0.4
165.05553	0.7
165.09256	0.8
166.05101	1.1
166.99774	0.4
167.03542	0.8
167.07176	1.1
168.00659	4.7
168.04292	0.6
169.01456	22.1
170.01772	1.0
179.03600	1.9
179.05598	0.4
181.05063	0.7
183.02988	0.5
183.06656	1.0
193.05058	1.8
194.05806	1.2
195.02986	0.4
203.03548	0.4
208.07437	0.8
209.04584	0.8
209.08182	3.5
211.02489	0.9
212.03259	0.7
227.05560	0.9
227.09227	0.5
237.06160	65.2
238.06508	3.8
249.06128	0.6
250.06587	0.7
251.06612	0.8
253.03427	0.5
269.07681	0.9
271.04639	0.7
283.83905	0.4
289.25656	0.4
306.07648	0.9
313.05627	1.7
315.06836	0.5
389.10773	100.0
389.14597	6.9
390.11053	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	389.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85776	1.0
55.01877	1.7
58.00587	3.4
59.01382	100.0
60.01715	1.6
61.98830	9.5
63.03185	1.1
70.23695	6.3
71.01389	92.3
72.99307	10.9
73.02941	2.6
74.99090	2.3
75.00893	1.8
83.01397	3.2
85.02959	12.4
85.95199	1.3
87.00875	5.4
89.02456	84.1
95.01411	5.8
101.02460	31.7
101.66542	1.1
107.01399	2.9
111.00857	3.4
113.02469	30.7
117.97350	1.9
119.03524	32.1
120.99625	1.3
123.00901	17.1
123.04561	2.1
124.01707	1.4
125.02471	17.7
127.00359	2.2
128.03549	3.1
131.03514	3.5
135.04482	2.0
136.99051	2.5
137.02493	2.3
137.06000	1.6
139.00403	4.6
140.01155	3.6
143.03510	6.5
143.04552	2.8
149.02437	1.4
149.04561	3.3
149.06094	7.6
151.00383	15.2
153.05602	2.4
161.04562	10.2
163.00253	1.2
167.03497	1.6
168.00656	4.1
169.01454	21.4
170.22874	1.3
179.04060	2.7
179.05643	45.6
180.05984	2.2
193.17484	1.2
196.08784	1.2
209.04535	2.1
227.09341	1.2
237.06137	1.5
270.85342	1.5
306.07632	4.8
311.11575	1.4
313.05817	2.0
389.10913	100.0
390.11011	8.6
403.85687	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	389.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03441	0.5
59.01382	3.7
61.98808	0.6
67.01900	0.8
69.03462	0.5
70.66616	0.5
71.01388	5.0
72.99319	0.6
73.02943	2.0
74.99101	0.5
75.00890	0.3
79.01890	0.8
79.95847	0.2
81.03470	0.3
83.00957	0.3
83.01396	1.5
85.02947	2.9
87.00893	0.7
89.02444	0.8
90.02879	0.2
95.01402	2.1
96.99332	0.3
97.02972	0.8
99.00899	0.7
101.02450	4.2
107.01408	3.1
109.02971	0.3
110.00143	0.3
111.00908	1.9
113.02454	2.0
117.70349	0.2
120.99625	0.3
121.02962	0.2
123.00902	14.4
124.01700	1.0
125.02464	15.2
126.02768	0.4
127.00385	1.0
128.90440	0.3
136.98840	1.6
139.00385	4.9
140.01176	3.1
141.01973	2.1
151.00397	12.0
152.00751	0.6
153.01918	0.6
154.99872	0.4
159.03041	0.3
161.04593	0.6
163.04007	0.3
166.05103	0.7
167.03555	0.3
168.00650	4.0
169.01443	19.6
170.01761	1.0
179.03432	0.4
181.05096	0.5
193.75908	0.2
211.02560	0.5
223.02446	0.3
253.03510	0.4
271.04550	0.6
313.05646	1.6
370.29239	0.3
389.10898	100.0
390.11255	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1091
Annotation	Sagitol
Peak:m/z	Relative Intensity
55.01871	0.8
57.03434	0.4
59.01382	4.0
65.00338	0.3
67.01882	1.1
69.03471	0.7
70.25890	1.0
71.01385	5.6
72.01721	0.3
72.99316	0.8
73.02953	2.1
75.00905	0.3
78.61877	0.2
79.01893	1.3
83.01397	1.7
85.02958	3.3
87.00892	0.5
89.02454	0.7
95.01398	2.0
97.02956	1.1
99.00909	1.0
101.02453	4.7
106.49867	0.3
107.01412	3.8
109.02969	0.3
111.00893	2.4
113.02464	2.1
123.00904	15.7
124.01754	1.5
125.02469	16.2
126.02824	0.4
127.00378	1.0
136.98830	1.5
137.02415	0.3
139.00392	4.9
140.01186	3.6
141.01961	2.5
151.00400	13.6
151.03975	0.3
152.00705	0.5
153.01932	0.6
161.04561	0.7
163.03979	0.3
166.05136	0.4
168.00668	3.9
169.01443	21.3
170.01797	0.9
179.03426	0.4
181.05121	0.5
211.02505	0.6
253.03606	0.6
271.04367	0.4
313.05588	1.7
389.10907	100.0
390.11285	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	388.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01379	5.1
60.01695	0.3
61.98833	100.0
66.08555	0.2
69.62356	2.0
71.01379	2.4
72.01740	0.3
73.02959	0.4
74.02483	0.2
74.99087	0.3
78.21577	0.2
81.03470	0.3
81.68711	0.2
83.01398	0.3
85.02981	0.9
87.00887	0.5
87.52090	0.2
89.02467	1.2
93.03465	1.2
94.03834	0.3
95.01418	0.4
97.02967	0.2
101.02483	1.0
109.02956	0.3
111.00934	0.4
113.02482	0.6
119.03526	0.5
119.05111	0.3
120.99731	0.4
121.02963	0.8
122.03269	0.3
123.00872	0.4
123.04519	2.2
124.04879	1.3
125.02466	2.7
126.02819	1.1
135.04543	2.8
136.99104	0.5
137.02478	2.0
138.02773	1.4
149.02499	0.3
165.05609	0.5
166.05919	0.2
173.04649	0.3
179.03557	0.7
191.05676	0.7
203.03497	1.8
208.06987	0.3
225.07759	1.3
226.08134	1.5
227.03574	0.7
229.05084	1.8
254.07910	0.3
271.09821	0.5
273.04288	0.3
273.07846	0.3
273.11353	0.9
299.09332	0.6
301.10913	0.6
327.08774	0.7
328.09048	0.3
353.08908	1.0
388.13000	2.6
388.17557	0.6
389.08783	5.8
389.13425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1091
Annotation	Sagitol
Peak:m/z	Relative Intensity
55.01864	0.6
57.03441	0.8
59.01379	5.9
61.98835	7.0
67.01883	0.8
68.99815	0.4
69.03470	0.4
70.49396	0.3
71.01386	7.0
71.65515	0.7
72.01718	0.4
72.99310	1.4
73.02943	2.6
74.99105	0.7
75.00880	2.0
79.01886	0.9
81.03932	0.3
83.01378	1.8
85.02948	3.7
87.00871	1.3
89.02454	2.0
95.01390	2.5
97.02949	0.9
99.00883	1.4
101.02454	6.4
102.94888	0.4
107.01400	2.9
110.00094	0.4
111.00919	2.4
113.02474	2.2
113.03127	0.4
119.03522	0.5
121.02911	0.5
123.00896	15.9
124.01675	1.3
125.02466	15.5
125.03152	0.2
125.03411	0.5
126.02785	0.7
127.00385	0.8
128.03519	0.4
136.98885	1.2
137.02452	0.6
138.03200	0.4
139.00389	5.0
140.01175	3.5
141.01961	2.5
143.04620	0.6
149.04631	0.6
151.00385	14.3
153.01947	1.6
154.99863	0.5
159.02927	0.4
161.04544	0.6
163.04012	0.8
166.05168	0.4
167.03540	0.5
168.00656	3.9
168.04338	0.4
169.01445	20.9
170.01826	0.9
179.03316	0.4
179.05600	0.6
197.04506	0.6
207.43011	0.4
209.04630	0.5
209.06654	1.2
211.02524	0.6
237.06113	1.3
253.03374	0.4
271.04556	0.6
286.64883	0.4
306.07379	0.5
313.05579	1.8
343.11447	0.5
355.92932	0.4
389.10892	100.0
390.11194	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	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40865	24.4
59.01367	52.5
61.98823	100.0
64.43796	21.9
65.61918	25.0
71.71568	42.3
88.60797	27.1
131.37560	23.8
165.09149	24.7
172.66109	27.7
182.38716	24.6
189.15529	23.9
189.55968	25.7
387.29117	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57551	0.6
58.66587	0.7
59.01379	100.0
59.93615	0.6
60.01702	0.8
61.98842	2.3
63.24611	0.6
67.33757	0.6
71.01430	0.7
71.67618	1.1
119.70369	0.6
136.01706	0.6
327.29156	0.9
330.12222	0.7
387.25137	5.0
387.28296	0.9
387.29819	1.1
388.25467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01706	1.2
61.98833	3.9
69.50520	5.6
69.50926	1.4
73.13955	0.7
80.48130	0.7
81.62218	0.7
88.25819	0.6
101.02441	0.7
101.39307	0.6
145.02953	1.7
185.68552	0.6
327.29309	0.8
387.21570	1.1
387.25708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.0
56.25700	0.3
57.03449	3.9
57.99995	0.3
58.00597	5.1
59.01381	100.0
60.01715	1.0
61.02945	0.3
61.98853	0.4
67.01917	0.3
68.99810	0.3
69.03468	0.4
69.46815	0.3
69.47517	2.8
69.47843	0.4
71.01387	90.0
72.01738	1.2
72.99309	6.3
73.02953	10.7
75.00880	1.0
83.01400	5.5
84.02177	0.5
84.82655	0.3
85.02418	0.6
85.02960	23.0
87.00885	4.7
89.02455	89.3
90.02804	1.3
93.03465	0.5
95.01405	6.4
97.02957	1.0
99.00893	5.2
99.04533	0.3
101.02457	62.2
102.02811	1.0
109.02979	0.4
111.00883	0.7
113.02467	38.2
114.02839	0.9
115.04019	0.3
119.03519	39.4
120.03863	0.8
120.99690	0.7
121.02995	0.3
123.00900	0.8
123.04441	0.2
123.08189	0.4
125.02479	1.7
129.01964	0.7
131.03511	4.1
134.03809	0.4
137.02478	0.8
137.09715	0.7
138.03244	0.9
143.03523	8.8
149.04584	3.0
151.00386	0.4
151.04036	0.4
151.11311	0.6
152.72874	0.3
153.05597	0.9
159.03014	3.0
159.04318	0.4
161.04582	24.8
162.04958	0.7
163.11279	3.0
166.02737	0.4
169.01443	0.4
178.25050	0.3
179.05640	13.6
180.05972	0.5
181.12369	1.0
184.39873	0.3
189.01968	0.3
191.03481	0.5
191.07124	0.4
195.13924	1.1
197.06195	0.4
197.15492	0.7
205.03564	0.7
207.13887	1.1
219.03073	0.4
225.11313	1.0
225.14983	7.6
226.15294	0.4
227.03464	0.5
239.29216	0.3
243.12408	0.3
245.00935	0.5
246.01633	0.5
261.00424	0.4
269.08054	0.3
271.06113	1.0
271.09805	0.5
290.00790	0.3
295.06116	0.4
297.04272	0.4
297.07635	0.5
299.05710	0.4
299.09125	0.5
309.07742	0.4
311.10449	0.6
315.08780	0.5
325.03568	0.3
326.97946	0.4
327.08719	0.4
341.06839	0.4
343.08331	1.6
357.13464	2.4
369.05972	0.3
387.06912	1.3
387.11200	1.2
387.20209	16.1
388.20438	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	387.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03448	0.8
58.00599	1.4
59.01379	36.2
60.48336	0.5
61.98833	6.6
65.88680	0.5
69.67877	3.5
71.01388	20.8
72.99304	1.7
73.02951	1.6
83.01398	1.6
85.02950	4.7
87.00889	1.7
89.02450	21.6
93.03464	4.7
95.01377	1.4
95.05006	0.6
99.00893	0.6
101.02457	15.2
105.05608	0.6
113.02462	10.3
114.25220	0.6
119.03516	9.7
121.02990	1.3
123.04530	1.4
125.02443	2.1
135.13379	0.5
137.02466	13.5
137.03500	1.0
139.00346	0.7
143.03568	0.8
149.02469	3.4
149.04576	0.7
161.04605	1.0
169.01407	0.6
177.01949	31.8
178.02446	2.1
179.05634	1.1
191.03539	0.7
192.04297	42.9
193.04672	3.2
207.06638	100.0
208.06967	6.0
225.07642	1.5
287.71317	0.6
327.08786	0.6
387.12915	13.0
387.16876	1.0
388.13171	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	387.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52114	0.3
55.01884	3.0
56.99806	0.4
57.03448	3.8
58.00597	4.7
59.01382	100.0
60.01713	1.0
67.01920	0.4
68.92413	0.3
69.03468	0.5
69.47656	2.2
69.48057	0.7
71.01388	73.7
71.05032	0.3
72.01750	1.0
72.99310	3.7
73.02956	8.1
75.00891	0.9
83.01399	5.7
85.02962	20.9
86.03306	0.4
87.00893	3.8
88.41261	0.2
89.02457	76.8
89.91754	0.2
90.02804	1.3
94.57193	0.3
95.01398	5.6
95.05009	0.3
97.02977	1.2
99.00896	3.2
101.02457	48.2
102.02828	0.9
107.01407	0.5
111.00883	0.9
113.02469	31.7
114.02811	0.9
119.03522	36.5
120.03838	0.7
123.00898	2.4
125.02474	3.3
129.01952	0.6
131.03523	3.7
137.02469	0.5
137.09740	0.5
138.06796	0.3
139.00381	0.8
140.01178	0.8
143.03517	6.0
149.04570	3.1
151.00366	2.1
151.11356	0.6
152.08492	0.5
153.09200	0.4
153.12881	0.4
159.03053	1.9
161.04584	17.5
162.04803	0.3
163.11296	2.2
168.00674	0.8
169.01440	2.5
175.14314	0.3
179.05638	10.6
180.05949	0.4
181.12346	0.6
188.57784	0.3
189.12764	0.5
195.13930	1.3
197.15512	0.8
207.13910	1.0
225.14969	11.7
226.15295	0.9
311.10229	0.4
342.09927	0.3
387.12881	13.7
387.20181	22.4
388.13342	1.0
388.20581	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	387.2026
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
54.52114	0.3
55.01884	3.0
56.99806	0.4
57.03448	3.8
58.00597	4.7
59.01382	100.0
60.01713	1.0
67.01920	0.4
68.92413	0.3
69.03468	0.5
69.47656	2.2
69.48057	0.7
71.01388	73.7
71.05032	0.3
72.01750	1.0
72.99310	3.7
73.02956	8.1
75.00891	0.9
83.01399	5.7
85.02962	20.9
86.03306	0.4
87.00893	3.8
88.41261	0.2
89.02457	76.8
89.91754	0.2
90.02804	1.3
94.57193	0.3
95.01398	5.6
95.05009	0.3
97.02977	1.2
99.00896	3.2
101.02457	48.2
102.02828	0.9
107.01407	0.5
111.00883	0.9
113.02469	31.7
114.02811	0.9
119.03522	36.5
120.03838	0.7
123.00898	2.4
125.02474	3.3
129.01952	0.6
131.03523	3.7
137.02469	0.5
137.09740	0.5
138.06796	0.3
139.00381	0.8
140.01178	0.8
143.03517	6.0
149.04570	3.1
151.00366	2.1
151.11356	0.6
152.08492	0.5
153.09200	0.4
153.12881	0.4
159.03053	1.9
161.04584	17.5
162.04803	0.3
163.11296	2.2
168.00674	0.8
169.01440	2.5
175.14314	0.3
179.05638	10.6
180.05949	0.4
181.12346	0.6
188.57784	0.3
189.12764	0.5
195.13930	1.3
197.15512	0.8
207.13910	1.0
225.14969	11.7
226.15295	0.9
311.10229	0.4
342.09927	0.3
387.12881	13.7
387.20181	22.4
388.13342	1.0
388.20581	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	387.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.8
58.00602	1.5
59.01380	43.5
59.07904	0.7
61.98831	5.2
65.59637	0.7
68.80511	0.6
71.01388	23.5
71.35545	0.8
71.35896	1.5
71.63669	0.7
72.01724	0.7
72.99323	2.0
73.02972	2.1
75.00891	1.3
83.01405	2.0
85.02946	6.1
87.00904	1.0
89.02452	22.3
89.02987	1.4
93.03468	10.4
95.01437	2.0
95.05067	1.3
99.00914	1.1
101.02456	18.5
101.03072	1.2
105.05635	1.3
108.02188	0.8
113.02467	10.9
119.03519	10.3
120.99673	1.0
121.02961	1.5
123.04585	1.6
125.02469	6.4
130.31372	0.6
131.03503	0.8
134.08827	0.7
137.02461	30.6
138.02922	0.9
139.00404	1.2
139.04083	0.7
140.21431	0.7
143.03505	0.8
149.02499	3.9
151.04085	1.1
161.04593	1.7
163.11264	1.6
164.03549	2.2
165.05597	1.3
166.08902	0.8
177.01950	29.3
178.02457	2.4
179.03427	1.4
179.05717	1.4
181.08624	0.7
191.03604	0.7
192.04292	46.8
193.04720	3.4
202.92978	0.7
207.06633	100.0
208.06992	7.2
210.77077	0.6
211.06201	1.0
211.45642	0.7
216.33005	0.7
225.07623	2.8
225.14909	1.2
231.81245	0.7
239.05606	1.5
299.05930	0.7
306.07849	0.7
387.12848	31.1
387.16684	2.9
388.13290	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	387.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
57.03448	4.8
58.00595	4.9
58.79024	0.3
59.01379	100.0
60.01701	1.2
60.99279	0.2
61.29010	0.3
61.98839	0.7
65.00328	0.3
67.01898	1.1
68.99821	0.5
69.03459	1.2
71.01385	84.9
71.05020	0.4
72.01721	1.3
72.99311	6.5
73.02948	10.6
74.27957	0.2
75.00875	0.8
79.01900	0.8
83.01397	7.1
84.02171	0.5
84.96387	0.2
85.02957	23.6
86.00114	0.3
86.03299	0.4
87.00880	5.0
88.96387	0.2
89.02453	75.3
90.02796	1.1
93.03475	1.0
95.01392	7.9
96.01710	0.3
97.02942	1.7
98.01485	0.2
98.19803	0.6
99.00893	4.5
101.02455	54.6
102.02795	1.2
102.98611	0.3
107.01389	2.5
109.02995	0.3
109.06654	0.3
109.16769	0.2
110.00121	0.5
111.00903	3.8
113.02464	35.0
114.02792	1.0
115.04062	0.2
119.03519	31.7
120.01269	0.9
120.03865	0.7
120.99687	0.4
121.02959	0.6
121.06659	0.2
122.03281	0.4
123.00903	14.9
123.08161	0.5
124.01678	1.2
125.02460	13.5
126.02773	0.6
127.00398	1.1
129.01959	0.8
131.03522	3.4
135.04460	0.3
136.98830	1.7
137.02444	2.2
137.09724	1.0
139.00377	5.0
140.01193	4.0
141.01985	2.5
143.03523	5.6
149.04578	2.1
151.00380	11.5
151.11301	0.3
152.00774	0.3
152.08429	0.6
153.01988	0.5
153.09178	0.3
153.12881	0.5
159.02998	2.1
161.04572	15.4
162.04916	0.7
162.25076	0.3
163.04088	0.4
163.11281	2.1
165.50467	0.3
166.99721	0.4
167.10646	0.3
168.00667	4.5
169.01439	15.7
170.01810	0.7
179.03395	0.6
179.05630	9.1
179.10703	0.4
181.05042	0.4
181.12367	0.8
189.12737	0.3
191.03362	0.3
195.13966	1.2
197.15491	1.3
205.03564	0.3
207.10338	0.5
207.13849	2.3
210.08849	0.6
211.02542	0.4
221.09651	0.6
223.13354	0.7
225.11299	0.9
225.14957	12.9
226.15242	1.0
280.05273	0.3
281.94693	0.3
295.88428	0.3
311.10159	0.3
313.05450	0.7
343.07971	0.8
387.12796	90.8
387.20090	56.6
388.13132	9.2
388.20428	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	387.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03448	3.3
58.00597	1.1
59.01385	20.6
61.98831	2.3
67.01881	1.3
68.99828	2.1
69.03448	1.6
69.79111	1.8
69.79538	2.7
71.01388	19.1
72.99313	6.1
73.02952	3.0
75.00881	16.4
80.81893	0.6
83.01413	1.2
85.02959	22.6
87.00900	8.2
89.02440	7.2
91.04045	1.1
93.03474	42.1
94.03806	1.9
95.01402	7.7
96.96005	1.2
96.96970	1.2
99.00894	11.9
101.02444	3.3
103.00392	1.9
107.01418	0.7
108.02187	1.7
109.03017	1.6
111.00915	1.7
113.02470	26.4
114.02770	0.8
115.00417	1.3
117.01955	3.9
122.02525	1.4
123.00893	4.1
123.04549	0.9
125.02473	5.6
129.01950	1.7
130.99864	0.8
136.01720	1.8
137.02472	86.3
138.02843	4.3
139.00398	2.8
140.01202	0.9
151.00378	3.1
152.01170	2.0
153.02005	1.3
157.01457	1.0
163.04068	1.0
166.99837	0.8
168.00682	1.0
169.01451	6.4
175.02493	2.7
177.01993	0.8
192.04298	1.6
193.05000	0.8
207.06633	2.9
211.06181	10.0
231.05139	3.8
249.06152	49.9
250.06531	1.6
267.07214	45.3
268.07535	1.6
325.09290	2.2
327.07190	0.9
349.78741	0.7
369.08154	2.1
387.09329	100.0
388.09729	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	387.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01380	6.1
61.98809	1.1
66.67426	0.4
71.01387	5.2
71.70032	0.6
72.25270	0.5
73.02951	1.0
77.34938	0.4
82.02979	0.5
83.01398	0.7
85.02962	1.4
87.00868	1.0
89.02451	2.6
95.01403	0.8
97.02934	0.4
99.92595	5.0
100.93411	0.7
101.02469	2.7
102.25425	0.4
106.03052	0.6
108.04578	3.7
113.02430	1.5
115.09084	0.5
115.92073	3.9
116.92879	20.4
117.92873	0.8
119.03578	1.4
119.05024	0.5
120.99659	0.7
122.06139	3.6
122.57733	0.4
125.02451	1.4
132.04561	1.9
133.02972	0.5
134.06152	0.7
136.04018	1.0
137.02464	1.4
137.04272	0.6
138.03343	0.6
146.06056	0.6
147.03220	1.4
147.06888	0.5
148.04071	0.8
150.05597	0.9
158.02512	0.6
159.03152	0.8
160.04068	17.0
161.02432	3.1
161.04517	2.8
162.05630	1.0
163.00491	0.4
165.01921	0.8
165.05560	0.5
174.05621	1.0
175.02774	1.2
176.03487	0.8
176.04884	3.0
176.07144	0.9
178.05043	0.5
181.05055	1.7
182.05907	0.9
186.01999	1.5
188.03548	10.7
189.01996	0.6
189.04205	1.0
190.02722	0.6
190.05110	1.9
190.06911	0.5
191.03493	0.9
191.07166	3.7
196.07626	0.8
197.08322	0.5
202.05034	1.1
204.03055	5.3
209.00874	1.0
210.05627	0.9
210.08044	1.3
211.08765	1.6
211.12422	1.4
212.07248	0.9
218.02528	0.6
218.04584	14.6
219.04961	1.4
223.08684	0.7
224.04872	0.8
224.07193	0.9
224.09502	1.2
225.05592	2.8
225.07690	0.7
226.08807	0.6
227.08240	0.9
230.02255	0.5
237.10437	0.8
239.08221	1.5
239.11874	4.5
240.05386	1.0
240.10245	2.0
241.06189	1.1
243.11328	1.6
245.01122	0.6
250.08955	0.5
251.08159	2.9
252.06685	0.9
252.08984	3.4
253.06088	1.2
254.06960	1.6
255.07727	3.6
255.11440	0.8
263.07510	0.6
265.09811	0.8
266.08203	1.3
267.04123	0.8
267.07858	2.7
267.11349	17.3
268.09772	4.2
269.09387	4.4
271.02457	0.7
271.06122	1.0
271.09915	0.7
278.07007	0.6
280.04999	0.7
281.05688	11.9
281.08664	0.5
282.06189	1.7
283.07239	1.3
283.10886	4.0
293.09360	1.7
294.07556	1.4
295.07358	3.5
296.08008	4.7
297.07916	1.6
299.09277	1.8
307.06424	4.7
308.06598	0.6
309.08890	3.3
311.10373	100.0
312.10754	10.4
315.09390	2.1
325.07080	1.0
326.97696	0.9
327.09576	0.6
337.08298	12.0
338.08749	1.0
341.06448	0.7
343.08194	1.7
343.12888	3.0
355.09357	39.9
356.09686	4.6
369.06335	0.9
369.10797	1.3
387.07272	9.4
387.11963	18.6
387.20166	1.4
387.24109	1.0
388.07574	1.3
388.12427	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06039	3.0
59.01384	19.2
61.98824	5.9
69.49589	13.4
69.50024	16.5
71.01382	12.1
85.02949	6.3
89.02454	6.7
95.01380	9.9
95.05042	4.9
96.96046	5.2
101.02444	9.4
109.02950	12.9
113.02497	6.1
117.03481	6.6
119.05019	7.6
120.99701	7.6
121.02982	7.3
123.00892	20.8
123.04500	6.4
124.01701	6.7
125.02477	19.3
133.02956	15.6
133.06621	5.8
134.03793	3.1
135.04524	9.7
136.01753	3.5
137.02470	17.1
140.01410	3.2
145.01363	3.3
145.02979	15.0
146.03514	2.9
147.00934	3.3
147.04495	9.2
149.02475	4.1
149.06186	4.1
151.04015	4.2
152.01215	3.3
161.02473	47.3
161.04555	4.1
162.03185	11.3
163.00365	13.9
163.04047	26.3
164.01128	6.3
165.02092	3.9
166.02791	3.8
167.03535	6.0
173.02438	19.0
174.03185	10.5
175.03996	13.9
176.01144	6.8
177.01923	14.4
177.05582	5.5
178.02635	5.1
181.05109	7.6
183.04469	3.8
185.02417	3.4
187.03943	3.3
189.01961	48.3
190.02734	41.9
191.03476	25.1
193.01587	4.3
201.01944	10.4
202.02763	19.4
202.99924	17.2
203.03351	4.9
206.99365	16.1
208.00113	10.7
211.03973	4.3
212.04823	6.0
213.05658	4.8
213.09126	3.5
214.02859	3.8
217.01445	32.6
217.04863	4.5
217.98647	6.6
218.02190	42.7
219.02966	26.5
222.01648	4.7
225.09187	8.4
226.02696	3.5
227.03438	5.7
229.01431	19.9
229.05052	3.5
230.02043	6.6
232.00175	3.9
233.00807	16.4
240.04210	9.4
241.05278	3.6
241.08669	5.1
242.02187	13.3
242.05818	3.8
243.02916	15.1
243.06558	5.3
243.10211	3.5
243.99979	9.3
245.00905	96.6
245.98053	10.3
246.01628	53.8
246.98813	11.2
247.02405	11.2
253.04893	6.8
253.08670	8.5
256.03674	10.8
257.04239	3.6
258.01669	4.6
260.97662	6.4
261.00394	100.0
262.00562	8.3
263.02072	5.6
265.04941	4.0
267.02933	5.5
268.03748	8.4
269.00876	11.1
269.08182	32.5
270.05450	3.8
271.02621	5.1
271.06073	9.9
271.09708	30.2
273.97546	10.5
274.01093	19.2
279.06677	8.3
281.04727	4.8
281.08182	11.6
282.05399	7.1
285.03955	3.5
287.09262	7.6
289.97617	6.1
290.00659	67.6
291.01172	10.3
295.02441	5.4
295.06046	3.6
297.04416	4.6
297.07663	95.2
298.08063	12.4
299.05606	24.5
299.09177	17.4
300.06284	8.0
315.08765	31.0
316.09259	3.8
325.07166	87.6
326.07504	7.9
341.06589	18.0
343.04504	56.5
343.08218	71.3
343.11884	5.4
344.04926	6.4
344.08542	7.6
369.06168	55.1
370.06522	5.3
387.07034	70.4
387.11008	54.0
387.24039	4.8
388.07556	8.6
388.11691	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	386.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66656	0.3
51.74696	0.2
59.01379	0.8
61.05038	0.3
61.98829	100.0
62.47624	0.3
62.98535	0.4
69.07868	0.3
70.31007	0.3
71.01416	0.4
71.67039	0.5
125.02486	0.3
207.10313	0.3
225.11456	0.7
247.12184	0.3
280.03012	0.4
305.17670	1.0
343.08240	0.3
347.00031	0.3
386.13397	0.4
396.72629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01374	9.1
61.98831	2.5
63.82939	0.9
67.66933	0.9
68.96436	0.8
70.06577	5.4
71.01383	7.6
73.02970	2.7
74.99124	0.8
81.03432	1.4
83.01402	2.0
85.02946	3.0
87.00863	1.5
89.02448	2.9
93.03504	0.9
95.05046	1.0
98.19971	1.3
101.02448	6.1
102.98627	1.0
106.04266	2.7
108.04590	1.5
109.02959	3.0
113.02447	2.9
119.03535	1.1
120.99673	5.0
121.02994	2.1
122.06142	2.5
122.11317	1.0
123.04543	1.1
123.13271	0.9
125.02518	1.5
137.02473	14.0
145.03041	1.1
146.03867	1.4
147.00937	1.9
147.04427	0.8
155.03505	1.1
160.04073	6.7
161.02463	3.4
161.04561	4.0
162.03230	1.3
162.05655	0.9
163.00403	3.2
165.01964	14.2
165.05373	0.8
173.02443	3.1
174.03239	0.9
175.00334	2.5
176.01181	7.9
178.99911	1.6
179.03598	1.0
181.12392	1.3
188.03404	4.3
189.01955	8.7
190.02734	43.0
191.03198	2.8
199.03864	1.1
202.02753	3.6
202.99884	3.5
203.03513	1.2
204.00629	1.5
204.02979	2.0
206.99394	2.6
207.09871	0.8
208.00156	3.1
209.00940	27.7
216.04251	2.4
217.01422	42.2
218.02243	37.7
218.04558	5.8
219.02620	3.3
225.14972	4.0
227.03470	1.1
230.02187	3.4
239.11900	1.5
241.04865	1.4
243.03049	2.7
245.00868	2.1
246.01688	100.0
246.98853	13.6
247.02065	6.1
247.99533	4.4
251.08061	1.0
252.08940	1.3
257.04495	1.3
258.01709	1.2
259.99554	1.1
261.00302	1.4
267.11343	6.7
268.09689	2.1
269.08368	1.8
271.02567	1.5
271.06158	2.6
271.09796	2.7
272.03296	3.1
274.01205	2.3
278.00671	24.4
279.00870	1.5
281.05746	5.1
282.06116	1.3
285.04141	1.5
286.01187	3.9
290.00635	2.1
296.08041	2.4
297.07849	2.5
299.09338	3.4
311.10385	38.4
312.10678	3.3
313.07150	2.3
314.07990	12.7
315.08737	23.2
316.09180	1.7
325.07056	2.0
326.97751	1.4
337.08331	3.8
343.08243	79.8
344.08514	8.1
355.09335	18.2
356.09540	1.4
357.62115	0.9
369.06229	3.4
386.99857	1.8
387.07239	46.0
387.11810	6.1
387.15906	1.6
387.19998	1.8
387.23993	3.9
388.07651	4.6
414.90051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89391	0.3
53.24268	0.3
55.01876	2.3
57.03452	3.4
58.00585	2.2
59.01379	57.7
60.01711	0.7
62.69062	0.3
68.99849	0.4
69.03484	0.4
69.51933	3.2
71.01385	65.1
72.01747	0.9
72.99311	2.7
73.02953	10.5
75.00908	0.5
79.27874	0.3
81.03475	0.6
83.01391	4.8
83.05038	1.0
85.02960	20.5
86.03323	0.6
87.00894	2.9
89.02451	31.8
90.02777	0.5
93.03416	0.4
95.01398	4.6
95.05049	1.5
97.02962	4.7
98.19585	0.3
99.00890	5.5
101.02458	33.0
102.02812	1.0
104.16547	0.3
105.07116	1.4
107.05055	0.5
108.05840	2.6
109.02982	0.9
109.06615	1.3
111.00868	0.6
111.04549	1.6
111.08155	0.7
113.02466	26.2
113.06108	3.5
114.02833	1.0
119.03516	11.5
121.02976	6.8
122.03752	1.3
123.08179	4.0
125.02462	1.4
125.06068	3.1
129.01955	0.9
131.03546	1.2
135.08200	0.8
136.05304	2.8
137.06073	1.2
138.06888	20.9
139.07684	9.5
140.08006	0.5
143.03499	3.3
147.08192	0.6
149.04608	0.6
149.06133	1.2
151.07668	21.1
152.04910	2.1
152.08453	40.7
153.09232	100.0
154.09560	5.0
159.03001	4.2
161.04578	20.4
161.09718	0.4
162.04858	0.6
163.11317	3.4
165.09222	2.1
167.07162	1.5
177.09134	0.3
179.05658	2.5
187.11266	0.9
189.09256	1.5
190.09996	1.3
205.12340	28.1
206.12668	2.3
223.13396	16.6
224.13724	0.9
233.06569	0.3
263.07596	0.3
385.11325	2.3
385.18634	9.2
386.18881	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48395	0.2
55.01872	1.4
57.03449	2.0
58.00593	4.8
59.01379	100.0
60.01731	1.2
60.99293	0.2
61.98833	0.4
64.25865	0.2
64.83398	0.2
67.01909	0.3
69.03481	0.4
69.68193	0.9
69.68623	0.8
71.01385	66.6
72.01728	1.1
72.99313	4.1
73.02956	4.5
75.00875	0.4
81.03455	0.3
81.76345	0.2
81.98058	0.2
83.01395	2.8
84.02171	0.3
85.02958	13.4
86.03256	0.3
87.00889	3.4
89.02454	84.1
90.02775	0.9
93.03473	0.2
95.01411	3.9
95.05052	0.2
97.02956	0.5
98.20586	0.5
99.00884	1.6
101.02454	36.7
102.02795	0.8
107.05032	0.6
111.00873	0.3
113.02465	28.2
114.02807	0.7
119.03519	36.0
120.03852	0.8
123.08171	2.7
125.02424	0.8
125.09695	0.8
131.03523	3.9
135.08191	1.1
143.03523	6.8
144.03737	0.3
147.08188	1.7
149.04584	3.0
150.94861	0.2
153.09238	11.5
154.09601	0.4
159.02946	0.5
161.04578	7.9
161.09680	0.3
162.04893	0.4
163.11299	0.5
165.09164	0.3
171.08211	0.3
175.11270	0.3
177.12813	0.4
179.05634	15.6
179.10805	0.4
180.05949	0.6
187.11296	3.1
189.09274	0.5
190.09851	0.5
203.10777	0.5
205.12352	15.0
206.12668	1.1
207.92654	0.2
210.49225	0.2
223.13373	1.8
232.88390	0.2
233.11716	0.5
239.72342	0.2
241.14426	0.3
385.11041	0.3
385.14359	0.4
385.18777	5.7
386.18787	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13212	0.6
55.01868	1.1
57.03451	3.3
57.53595	0.6
57.85101	0.6
58.00584	0.6
59.01379	21.7
67.01879	1.8
68.99807	2.6
69.03445	2.4
69.61980	4.8
69.62395	1.4
71.01386	25.1
72.99320	4.5
73.02940	1.9
75.00879	15.4
77.70755	0.7
81.03429	1.0
83.01379	1.8
85.02961	27.9
87.00888	10.2
89.02454	7.8
91.03999	1.8
91.05547	18.8
93.03452	1.6
95.01408	5.6
98.19761	0.9
99.00889	11.1
101.02459	1.5
103.00400	3.0
111.00885	2.1
113.02465	38.9
114.02809	0.9
115.00356	1.4
117.01991	3.7
117.03497	4.0
121.02972	64.7
122.03277	2.0
129.01932	2.6
131.03464	0.7
135.04539	10.4
139.00429	0.9
157.01419	1.1
157.04501	0.7
163.44615	0.6
175.02463	2.2
205.07140	0.8
207.05109	1.9
231.04994	3.5
249.06143	39.0
250.06560	1.7
263.07700	17.2
264.08170	0.8
267.07196	100.0
268.07565	5.1
304.44019	0.6
368.76566	0.6
385.11420	54.7
386.11594	5.3
396.36621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33620	0.7
55.68979	0.7
57.03440	1.0
59.01384	10.2
61.98818	2.0
69.03474	0.7
69.66501	1.1
69.66911	4.4
71.01382	7.1
72.01704	0.8
72.99301	2.3
73.02953	3.4
75.00872	4.0
76.97654	0.6
77.33270	0.6
83.01381	2.7
85.02951	6.1
87.00900	5.1
89.02454	3.4
93.03445	1.0
95.01392	0.8
96.96019	1.2
96.96995	0.7
99.00858	1.7
101.02442	3.4
103.00368	0.9
110.34837	0.7
111.00928	0.8
113.02459	2.3
113.99603	1.5
115.00397	7.7
119.03474	1.5
121.02958	2.1
125.02486	1.6
135.04523	0.8
137.02438	0.8
149.02472	6.3
152.07846	0.8
158.06117	1.2
159.06482	2.4
160.06686	1.1
161.02460	1.0
161.04552	0.9
163.04051	1.7
164.04855	4.7
169.01466	1.6
174.01714	54.4
175.02495	5.1
176.07108	0.9
177.07495	1.7
178.99867	1.3
179.03532	1.0
179.07173	2.2
180.00429	0.7
192.04364	0.7
193.01358	0.9
193.04987	1.1
194.05911	1.8
205.04974	1.4
206.99339	6.7
207.06587	0.9
208.00166	6.5
208.03818	2.0
209.08214	4.3
222.01724	2.2
223.02638	4.4
223.06094	9.0
223.08012	1.0
223.12358	1.2
239.09193	1.9
251.09113	0.8
265.07025	1.0
267.08682	2.8
281.10309	0.8
295.08240	6.4
325.09195	11.2
326.10004	2.4
385.11438	100.0
386.11819	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	385.1296
Annotation	Magnolone
Peak:m/z	Relative Intensity
56.77316	0.2
59.01378	0.6
61.98829	0.9
68.13026	0.3
71.34556	0.2
91.05566	0.3
93.03489	0.6
105.03471	0.8
108.02186	2.2
119.05099	0.6
121.02960	4.1
123.00925	0.5
123.04544	2.1
125.02483	0.3
130.04294	0.5
130.28574	0.3
131.05052	0.9
132.05836	1.6
133.02980	0.4
134.03748	0.7
136.01691	1.0
145.02972	7.4
146.03528	0.3
147.04559	2.5
149.02464	0.7
151.04048	1.8
152.01096	0.3
157.27585	0.3
158.03761	1.8
159.04538	12.0
160.05324	23.7
161.02455	0.6
161.05753	1.2
162.03259	0.9
163.00410	0.3
175.03996	1.3
186.03291	0.4
193.01436	0.5
210.06865	0.5
221.06075	0.4
222.06830	0.9
224.04707	0.4
229.35416	0.3
236.04979	0.3
237.05606	0.6
238.06294	3.7
239.06851	0.3
247.06133	0.3
249.05586	1.1
250.06207	0.4
253.05141	0.4
253.05884	0.4
253.08644	3.3
255.06586	0.3
265.05048	1.2
266.05811	10.0
267.06241	0.9
268.07312	0.3
279.06503	0.3
281.08185	17.6
282.08536	2.1
295.09650	0.7
296.10565	4.5
297.11288	0.9
298.08469	0.3
311.09390	0.5
311.12943	1.0
325.10745	1.5
326.11606	30.1
327.11935	2.4
341.13849	1.5
370.10590	40.9
371.10941	3.5
379.17593	0.3
385.12936	100.0
386.13281	11.1
386.17593	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
59.01386	3.4
67.16788	0.5
69.64194	3.5
69.64600	1.1
71.01389	2.5
72.99303	0.8
73.02950	2.7
75.00879	2.3
83.01418	2.8
85.02956	3.3
87.00887	2.2
87.31833	0.5
88.66946	0.5
89.02463	0.9
99.00896	0.7
101.02460	1.5
113.02492	0.7
113.99617	1.7
115.00392	6.1
121.02989	0.5
121.99915	0.5
174.01718	52.3
175.02525	6.5
178.06346	1.0
179.03511	0.8
190.02869	0.5
193.01370	0.6
206.99283	0.9
207.06670	0.9
209.04372	0.5
209.08272	2.7
210.08795	0.5
237.07761	0.6
238.78258	0.6
239.09219	1.5
251.09309	0.9
251.20384	0.5
267.08679	3.2
295.08249	7.6
325.09277	10.6
326.09683	1.6
328.51987	0.5
338.39896	0.5
385.11420	100.0
386.06924	0.6
386.11752	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.1
57.03453	3.5
58.00593	1.0
59.01377	18.1
67.01919	0.8
68.99833	0.8
69.03477	1.1
69.59115	3.5
71.01382	23.9
72.99310	4.5
73.02981	1.6
75.00881	11.4
81.03465	0.6
83.01416	1.2
85.02958	24.3
86.03325	0.6
87.00882	9.9
88.27400	0.4
89.02451	8.7
89.02968	0.6
91.04025	1.0
91.05541	7.4
93.03487	0.5
94.61452	0.4
95.01395	6.0
95.01877	0.4
97.02969	0.7
99.00888	7.7
99.01508	0.5
101.02440	2.0
103.00378	3.2
108.62983	0.5
111.00922	1.4
113.02464	33.1
114.02813	1.3
115.00414	1.7
117.01981	1.8
117.03475	4.3
117.50616	0.5
119.03555	0.8
121.02966	23.2
129.01974	1.5
131.03519	1.1
133.06958	0.5
135.04546	3.1
135.06540	0.6
139.00383	0.6
145.83961	0.4
149.04607	0.7
151.07729	0.4
152.08429	0.7
152.22186	0.4
153.09204	1.2
157.01465	0.8
161.04628	0.6
161.06110	0.4
163.04054	0.4
174.01732	1.0
175.02547	2.2
203.21735	0.4
205.05086	1.2
205.07031	1.0
207.05109	1.5
223.06219	0.5
249.06142	8.0
250.06488	0.6
263.07565	2.4
267.07187	100.0
268.07562	5.6
385.11346	34.9
386.11469	3.7
386.18515	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
57.03450	4.4
58.00595	3.6
59.01380	58.7
60.01704	0.8
61.98829	0.7
67.01900	0.9
68.99831	0.8
69.03459	1.3
69.74881	1.4
69.76039	0.2
71.01388	71.2
72.01733	1.2
72.99312	4.3
73.02954	12.9
75.00896	1.1
76.79493	0.2
81.03475	0.4
83.01401	5.4
83.05032	1.4
84.02169	0.5
85.02960	27.1
86.00097	0.3
86.03309	0.5
87.00884	5.1
87.04523	0.4
89.02454	36.0
90.02783	0.5
93.03476	0.9
95.01402	5.6
95.05054	1.9
97.02970	6.2
97.06608	0.4
99.00893	5.7
101.02457	36.1
102.02827	0.8
105.07087	1.4
107.05048	1.0
108.05832	2.3
109.02968	1.0
109.06610	1.6
111.00906	2.1
111.04550	1.3
111.08173	0.4
112.01671	0.6
113.02467	32.0
113.06094	3.5
114.02795	0.7
115.00392	0.4
115.04053	0.4
119.03519	10.8
121.02973	64.1
122.03309	1.5
122.03820	1.3
123.04520	0.6
123.08187	4.8
124.05246	0.4
125.02430	1.4
125.06116	2.5
129.01978	1.8
131.03525	1.5
133.06963	0.4
135.04597	0.3
135.06552	0.8
135.08176	1.2
136.05316	3.6
137.02464	1.2
137.06169	1.7
137.09795	0.3
138.06888	23.2
139.00401	1.0
139.07687	10.6
143.03534	3.4
147.08200	0.8
149.04594	0.6
149.06120	1.2
151.04042	0.4
151.06392	0.4
151.07669	22.6
152.04904	2.7
152.08456	45.6
153.09235	100.0
154.09575	5.0
157.01457	0.9
159.03012	4.8
161.02451	1.0
161.04581	21.3
161.09746	1.0
162.04927	0.7
162.16402	0.3
163.11293	2.9
165.05574	0.4
165.09218	1.9
167.07178	2.0
169.01456	0.3
174.01732	0.5
175.00475	0.3
179.03474	0.6
179.05649	3.1
179.07118	0.5
179.10780	0.5
187.11322	0.7
189.04170	0.3
189.09244	1.1
190.02731	0.6
190.10025	2.1
202.81613	0.3
203.10757	0.5
205.03456	0.5
205.05101	0.9
205.12343	33.0
206.12685	2.2
206.60324	0.3
221.11745	0.4
223.06065	0.6
223.13396	19.2
224.13826	1.3
231.05124	0.3
233.10297	0.3
239.05690	0.3
249.06114	0.4
263.07697	5.4
267.07101	1.7
307.08084	0.4
385.11398	20.1
385.18729	11.9
386.11530	2.2
386.19052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	Axitinib
Peak:m/z	Relative Intensity
55.01870	0.9
57.03448	3.1
58.00581	0.7
59.01380	25.4
61.98830	5.0
65.79210	0.6
67.01881	1.9
68.99813	2.4
69.03452	2.1
71.01386	21.3
71.67309	0.6
71.67693	0.7
72.99309	5.8
73.02952	3.1
75.00880	20.3
80.91687	3.1
81.03482	0.9
83.01385	2.5
83.05051	0.6
85.02961	23.0
87.00887	7.6
89.02442	6.1
91.04013	0.9
91.05540	8.8
93.03461	1.7
95.01396	6.4
97.02948	0.8
99.00897	10.8
101.02481	2.7
103.00378	1.7
103.04046	0.8
108.02197	0.6
109.02980	1.6
111.00876	2.5
111.04543	0.7
113.02469	29.8
114.02819	0.7
115.00398	2.8
117.01966	3.7
119.03510	0.9
120.99632	0.8
121.02940	1.1
122.01157	0.5
122.88961	0.5
125.02460	1.3
129.01965	2.4
135.04543	100.0
136.04855	4.5
137.02440	1.0
139.00395	0.9
139.99896	0.5
145.02983	1.2
149.06094	0.7
157.01440	1.2
163.11334	0.7
167.07138	4.9
169.01450	1.6
175.02519	3.7
181.12366	0.5
183.26227	0.5
189.04129	0.8
190.02689	2.6
193.08749	1.2
203.03343	0.6
205.12306	1.0
214.29929	0.6
231.05055	5.7
249.06154	62.8
250.06554	4.2
309.04462	1.0
313.12976	7.1
325.09198	0.7
339.14517	0.7
353.49838	0.6
367.10132	1.1
367.14053	11.0
368.14310	1.2
385.11444	70.7
386.11789	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	382.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46273	0.4
57.03448	1.1
58.40844	0.3
59.01381	11.9
61.98838	0.6
69.68903	2.7
71.01384	8.3
72.99342	0.6
73.02960	1.7
75.00880	17.8
83.01408	0.9
85.02958	3.6
87.00889	15.5
89.02469	4.5
95.01379	0.6
99.00906	0.8
100.14022	0.3
101.02451	4.2
104.78201	0.3
113.02467	3.4
115.05565	6.1
116.05087	3.3
117.01981	0.6
119.03529	1.2
130.06651	7.3
131.06908	0.4
132.04572	25.1
133.04883	0.9
136.07739	0.5
144.04575	1.1
146.06120	0.8
151.07674	0.8
156.04602	0.4
157.05338	1.2
158.06134	100.0
159.06505	4.2
161.04581	0.8
161.09663	0.5
163.07617	0.7
174.05586	3.1
176.07211	0.7
179.10718	0.7
188.08553	0.5
202.05109	40.3
203.05470	2.8
203.10728	2.4
220.06152	8.1
220.09755	1.4
221.06479	0.8
221.11830	3.4
237.06148	8.0
249.06131	9.9
262.07245	0.8
382.11432	64.8
383.07129	0.6
383.11801	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	383.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26559	0.3
59.00212	0.3
59.01378	3.0
60.82150	0.3
61.98850	0.4
68.48782	0.3
69.03445	0.4
70.96422	0.4
71.01392	2.4
71.72399	0.5
73.02934	0.7
73.11218	0.3
75.00869	0.5
83.05067	0.6
85.02957	8.6
87.00874	3.5
89.02435	0.8
93.03465	2.4
99.00903	0.6
101.02472	1.0
109.02973	0.6
111.04537	1.0
112.98845	0.5
113.02460	0.8
119.03428	0.3
120.99678	1.2
127.04043	2.8
129.01985	1.2
129.05591	0.4
132.04517	0.4
153.05637	0.4
155.03490	0.4
158.06139	0.9
159.03067	0.4
159.06465	1.3
160.04056	0.4
169.64079	0.4
171.03125	0.7
173.00903	0.7
173.04570	1.5
177.01956	0.6
179.05676	0.4
191.05634	100.0
192.05965	3.9
203.05505	0.5
383.11560	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	383.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83393	0.1
55.01872	0.2
57.03450	1.4
59.01382	3.3
61.98811	0.3
62.10085	0.1
69.57853	1.2
71.01392	1.9
72.47949	0.1
72.99276	0.1
73.02935	0.6
76.70438	0.1
83.01401	0.2
83.05025	0.3
85.02966	1.0
87.00861	0.2
89.02451	0.6
95.05043	0.2
97.02969	0.3
97.06590	0.2
98.19865	0.3
99.00915	0.2
101.02444	1.2
101.63268	0.1
107.05041	0.2
113.02480	0.7
117.96422	0.1
121.06606	0.6
122.75681	0.1
123.04540	0.3
123.08195	1.5
125.02459	0.2
125.44915	0.1
133.06602	0.2
135.04556	1.5
135.08194	0.2
136.05397	0.1
137.02431	0.2
139.57858	0.1
145.02924	0.3
145.06589	0.3
147.04541	2.3
148.05203	0.3
149.02457	0.2
151.07658	3.2
151.11282	0.5
152.07994	0.2
159.08162	0.2
160.08900	0.4
161.04568	0.9
161.09744	1.7
163.04008	0.1
163.07672	0.7
165.05573	0.3
173.06070	0.9
175.11234	0.2
177.09224	0.8
179.10794	3.5
180.11041	0.2
185.09767	0.2
186.06775	0.2
187.07655	4.2
188.08443	13.5
189.08835	0.9
192.07939	0.2
193.12358	0.2
202.09966	0.8
203.10786	100.0
204.11113	7.2
215.07472	0.1
215.96565	0.1
221.11842	3.0
222.12198	0.2
234.29468	0.1
320.13300	0.2
383.13245	0.4
383.17191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.0
63.91320	0.6
69.68197	4.1
69.68604	0.9
71.01376	2.4
72.99297	0.6
83.05034	0.6
104.82668	0.5
114.81397	0.5
126.71205	0.6
202.66130	0.5
222.31892	0.7
319.30048	1.6
321.31638	67.3
322.31995	8.3
339.28970	1.3
339.32742	2.4
365.30624	17.3
366.30991	2.3
383.31696	100.0
384.32007	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.3
57.03452	3.9
58.00596	1.1
59.01380	30.4
61.98832	2.5
69.03452	1.4
69.41013	4.0
71.01385	46.5
72.01736	0.5
72.99308	2.2
73.02950	27.0
74.03284	0.6
75.00880	1.9
81.03471	0.7
82.50330	0.3
83.01395	10.9
85.02956	24.5
85.06615	0.5
86.00092	1.1
86.03279	0.4
87.00883	2.9
87.08141	0.7
89.02452	9.1
95.01414	2.9
97.02949	2.1
98.19807	0.9
99.00881	10.3
99.01510	0.7
99.04555	0.6
101.02454	50.1
101.06085	2.7
102.02789	1.1
103.00430	0.5
111.00908	1.6
113.02464	19.8
114.02753	0.6
115.04037	2.1
115.07626	0.6
119.03522	1.1
121.02999	0.4
125.02441	2.9
129.01958	1.1
131.03532	3.2
131.69267	0.4
135.06680	0.5
136.04060	0.5
137.02415	0.5
141.01880	0.5
143.03532	1.9
149.04546	1.0
155.03581	0.4
157.08722	0.7
159.02985	3.3
161.04570	15.5
164.03580	0.6
176.05904	1.1
177.06688	0.8
191.05647	0.6
191.08260	1.2
205.03503	1.1
205.06270	1.0
206.11676	0.4
219.07727	1.3
231.07855	0.6
233.06616	2.1
245.09332	0.7
245.11751	0.5
249.13422	88.9
250.13768	4.3
285.08908	0.6
287.09299	0.8
293.08755	0.7
293.12384	0.9
299.54773	0.4
321.10886	2.2
381.17654	100.0
382.17996	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.3
57.03452	3.9
58.00596	1.1
59.01380	30.4
61.98832	2.5
69.03452	1.4
69.41013	4.0
71.01385	46.5
72.01736	0.5
72.99308	2.2
73.02950	27.0
74.03284	0.6
75.00880	1.9
81.03471	0.7
82.50330	0.3
83.01395	10.9
85.02956	24.5
85.06615	0.5
86.00092	1.1
86.03279	0.4
87.00883	2.9
87.08141	0.7
89.02452	9.1
95.01414	2.9
97.02949	2.1
98.19807	0.9
99.00881	10.3
99.01510	0.7
99.04555	0.6
101.02454	50.1
101.06085	2.7
102.02789	1.1
103.00430	0.5
111.00908	1.6
113.02464	19.8
114.02753	0.6
115.04037	2.1
115.07626	0.6
119.03522	1.1
121.02999	0.4
125.02441	2.9
129.01958	1.1
131.03532	3.2
131.69267	0.4
135.06680	0.5
136.04060	0.5
137.02415	0.5
141.01880	0.5
143.03532	1.9
149.04546	1.0
155.03581	0.4
157.08722	0.7
159.02985	3.3
161.04570	15.5
164.03580	0.6
176.05904	1.1
177.06688	0.8
191.05647	0.6
191.08260	1.2
205.03503	1.1
205.06270	1.0
206.11676	0.4
219.07727	1.3
231.07855	0.6
233.06616	2.1
245.09332	0.7
245.11751	0.5
249.13422	88.9
250.13768	4.3
285.08908	0.6
287.09299	0.8
293.08755	0.7
293.12384	0.9
299.54773	0.4
321.10886	2.2
381.17654	100.0
382.17996	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	382.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47211	0.4
55.53373	0.4
57.03448	0.6
59.01382	11.7
61.98822	2.0
69.70331	2.1
69.70744	0.9
71.01386	7.8
71.01752	0.6
72.99308	1.0
73.02947	2.0
75.00877	18.5
76.32566	0.4
82.08512	0.4
83.01369	0.7
85.02963	2.7
86.86391	0.4
87.00882	14.8
88.98822	0.7
89.02458	5.0
95.01405	0.4
97.04031	0.4
98.20610	0.5
99.00907	0.8
101.02458	5.3
113.02455	2.8
115.05547	5.3
116.05087	3.3
117.01975	0.5
119.03511	1.4
130.06635	7.1
132.04568	25.9
133.04909	1.5
141.06741	0.5
144.04553	1.8
146.06189	0.6
157.05328	0.9
158.06129	100.0
159.06491	5.3
161.04532	0.7
174.05594	3.2
175.02736	1.9
176.03535	16.2
176.07092	0.6
177.03893	0.8
185.05740	0.4
202.05109	41.7
203.05461	2.7
220.06140	7.7
221.06490	0.5
237.06171	8.1
240.68863	0.4
249.06149	11.0
262.07248	0.8
323.17075	0.8
338.08835	1.3
339.94012	0.4
382.11444	67.9
383.11801	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03452	1.3
58.00601	2.2
58.26248	0.3
59.01379	46.7
59.20109	0.4
60.01720	0.5
61.98829	8.1
62.48723	0.3
71.01385	28.7
72.01730	0.4
72.99313	4.1
73.02953	2.9
74.02486	0.4
75.00875	8.9
83.01378	2.5
84.18421	0.4
85.02955	8.9
86.00122	0.5
87.00887	7.4
87.04548	0.5
89.02454	27.6
90.02753	0.3
95.01402	2.1
96.15103	0.3
99.00898	1.1
99.04578	0.5
101.02452	22.1
102.02789	0.7
111.00918	0.7
111.02132	0.3
113.02466	10.4
115.05564	2.9
116.05091	1.3
119.03513	9.9
120.03864	0.4
120.99685	0.7
125.02479	1.5
125.09750	0.6
126.03870	0.5
127.11305	1.1
130.06645	3.8
131.03568	1.0
132.04572	11.0
132.05597	0.6
133.05116	0.6
137.09799	0.4
141.06720	0.5
143.03522	1.4
144.04613	0.7
149.04570	0.5
153.09274	0.6
155.10774	1.2
157.05342	0.5
157.12325	1.0
158.06129	44.6
159.02957	0.4
161.04578	1.9
170.07921	0.3
174.05574	1.5
176.03578	0.7
177.01953	1.3
179.05640	1.6
183.10260	0.8
185.05789	0.7
190.84300	0.4
191.31624	0.4
201.11336	4.5
202.05107	19.1
215.13014	0.5
219.12358	4.5
220.06157	3.4
237.06195	2.7
237.09856	0.5
249.06107	4.2
262.07166	0.6
277.12820	0.5
291.14468	0.4
317.15781	0.4
321.15289	0.8
363.16708	1.3
381.17639	100.0
382.11383	31.9
382.17911	8.9
382.21970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1563
Annotation	O-beta-D-glucosyl-trans-zeatin
Peak:m/z	Relative Intensity
55.01883	0.7
55.43626	0.3
55.67239	0.3
57.97016	0.3
58.00589	0.6
59.01382	16.7
61.98837	1.9
71.01388	31.6
71.05020	5.8
71.14713	0.7
71.15056	0.4
72.01719	0.6
72.99319	0.7
73.02952	1.3
73.74230	0.3
75.00916	0.3
79.05606	0.3
83.01390	1.5
85.02959	2.4
87.00896	0.6
88.04049	4.2
89.02452	8.4
95.01406	0.6
99.00914	0.4
99.04533	1.2
101.02451	8.3
109.48733	0.4
113.02464	4.2
116.03568	1.0
116.07213	1.1
119.03506	2.5
120.99657	0.5
126.09235	0.4
128.07164	1.6
129.05598	0.6
131.01677	0.5
143.03516	0.5
146.08252	56.6
147.08638	1.8
161.04601	1.7
174.11337	0.5
179.05585	0.5
200.09334	1.1
214.74944	0.3
218.10330	0.8
219.12381	0.4
225.36995	0.3
263.11343	0.6
263.66461	0.3
292.38831	0.3
308.13531	5.1
309.13797	0.4
362.14606	1.5
380.15619	100.0
381.15970	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	381.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.7
61.98830	6.8
69.99687	1.1
70.00103	2.3
71.01387	3.8
72.00906	1.5
72.04548	0.9
82.02962	0.7
86.02480	0.9
87.00874	1.1
89.02475	2.8
92.05048	2.0
98.42711	0.5
100.04046	1.6
101.02437	1.9
113.02447	0.7
115.51794	0.6
116.05074	4.2
119.03501	1.1
128.03537	0.7
128.05061	1.7
130.06622	1.3
131.03787	2.6
132.04573	9.7
142.06656	1.6
143.06134	1.6
144.04565	7.2
145.04012	0.6
154.06609	1.1
155.06145	1.1
156.06938	4.0
157.05319	0.8
157.07724	6.2
158.04837	1.4
158.06131	6.8
159.05641	1.1
160.04060	7.4
161.04543	0.6
162.05678	0.8
167.06166	11.5
169.07715	4.0
170.06093	1.6
171.09286	9.3
172.04033	1.4
172.09624	0.7
173.05847	0.9
173.07217	9.6
174.05641	0.7
179.06123	0.8
180.06892	1.1
181.07729	53.9
182.04718	0.8
182.06145	2.0
182.08049	3.6
187.08763	1.9
188.05949	2.0
197.07204	5.1
199.08786	34.6
200.09122	2.2
201.06738	4.1
202.05107	2.4
202.06935	0.6
213.06807	1.0
217.09798	3.2
219.07713	1.1
223.08618	0.7
226.05099	4.2
243.07730	23.8
244.08083	1.3
249.06398	0.9
261.08783	100.0
262.09146	6.8
273.08813	2.2
291.09756	1.0
319.13101	1.1
337.14395	0.7
363.12061	4.0
381.08179	1.4
381.13055	26.7
381.17291	1.1
382.12109	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	379.1612
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01876	1.6
57.03448	2.1
58.00605	2.7
59.01380	65.2
61.98819	1.1
62.62545	0.4
65.57401	0.5
69.03463	0.6
71.01385	44.3
72.01736	1.1
72.99300	3.1
73.02953	7.3
75.00880	0.6
81.03467	0.8
83.01387	4.4
83.05013	3.2
85.02958	12.7
87.00909	2.5
89.02453	48.5
90.02791	0.9
91.79049	0.5
95.01427	2.5
97.02929	1.0
99.00909	6.3
99.04523	1.3
101.02457	29.0
102.02806	0.8
109.02959	0.7
111.00887	0.5
111.01987	1.0
113.02464	14.6
119.03524	14.9
125.02456	2.4
129.01881	0.5
130.52240	0.6
131.03549	4.4
136.99220	0.6
137.09746	8.0
138.10109	0.8
143.03531	2.2
149.04588	12.7
150.04967	0.6
151.04057	0.5
155.10803	24.3
156.11096	0.7
157.08719	1.5
161.04588	6.5
171.10278	0.8
174.05608	1.0
179.05664	4.6
181.08727	2.2
191.05693	2.6
199.09778	35.2
200.10065	2.7
217.10809	10.0
218.11137	0.8
229.72092	0.6
233.06740	0.7
247.11856	12.7
248.12244	0.6
251.07538	0.7
285.08960	0.6
319.13950	2.2
333.08865	0.5
336.10715	0.6
379.16086	100.0
380.16483	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	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
57.03453	2.1
58.00587	4.1
59.01381	92.6
60.01727	1.4
61.98831	2.4
69.03465	1.6
71.01387	70.5
72.01712	1.3
72.99311	4.5
73.02953	18.0
75.00899	1.4
80.01447	0.6
83.01398	4.5
83.05015	0.7
85.02959	13.7
85.03452	1.1
85.06663	0.5
87.00896	4.9
87.04534	0.9
88.98860	1.5
89.02454	100.0
90.02798	1.6
95.01401	3.3
97.02969	2.0
97.06635	1.1
99.00893	21.9
99.04532	7.8
101.02456	47.2
102.02785	1.8
111.00941	1.2
111.72003	0.5
112.59196	0.5
113.02465	20.4
113.06068	1.4
114.02870	0.6
115.04027	1.4
119.03522	19.3
120.99677	1.4
125.02458	5.5
127.00385	0.6
131.03523	16.8
132.03845	0.7
135.06653	1.2
137.09753	2.7
143.03539	5.2
149.04576	46.6
150.03143	0.7
150.04883	2.2
154.01508	1.8
155.10770	8.1
156.11147	0.9
157.08736	1.5
161.04575	8.0
169.01372	0.9
171.10251	1.0
179.05635	11.1
188.26698	0.6
191.05640	11.3
197.14349	0.6
199.09779	10.5
217.10828	7.5
218.11264	0.6
221.06653	2.2
233.06674	1.6
247.11874	7.7
251.07709	4.7
257.10336	1.5
259.11957	0.8
279.10822	1.1
285.08783	1.6
293.08850	1.4
297.11905	2.7
301.07120	2.7
303.09818	1.5
311.09988	0.7
319.13974	0.8
331.11920	3.0
347.08884	0.9
379.16092	66.5
379.22900	2.7
380.16483	7.0
380.23694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40050	0.7
52.44648	0.7
59.01379	10.9
61.98830	30.5
69.62804	4.3
71.01389	4.8
71.37558	0.6
71.71154	0.6
72.99304	1.4
73.02956	0.9
75.00889	0.9
76.33333	0.6
78.95921	0.7
85.02951	1.8
87.00913	0.7
89.02440	2.4
96.99397	0.8
101.02455	1.7
102.84814	0.6
107.01410	4.7
108.02187	12.8
109.02983	4.3
111.00904	1.5
112.04057	20.3
113.02457	1.6
114.05608	0.7
123.00916	1.7
125.02459	22.2
126.05585	1.1
129.00163	1.5
138.05688	1.3
151.00465	0.9
151.03943	0.8
152.01184	13.0
153.01959	5.9
154.05138	2.2
168.00645	1.6
169.01451	47.2
170.01791	1.7
179.05670	0.7
194.94870	0.6
199.06061	0.7
217.03064	0.7
274.09296	3.7
315.07208	100.0
316.07480	9.4
316.10904	0.9
318.11914	0.6
341.10959	1.3
342.11301	1.3
373.60184	0.6
378.08789	1.7
378.14783	0.7
379.08170	2.0
379.16354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79210	0.3
53.46719	0.3
54.34749	0.2
59.01380	2.8
61.98835	100.0
62.98550	0.5
62.98865	0.3
65.20013	0.3
67.01884	0.3
70.92598	0.8
71.01399	1.1
72.99318	0.2
87.00880	0.4
88.98835	0.5
89.02447	0.6
101.02463	0.5
111.00896	2.7
112.01202	1.2
113.02470	0.5
119.03543	0.3
120.75632	0.2
123.04524	0.4
127.25839	0.3
135.04578	0.7
138.05661	0.8
153.05632	0.7
161.04555	0.3
165.05653	0.5
175.46931	0.3
246.11391	0.3
282.38419	0.2
315.07239	0.6
379.01099	0.5
379.16263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
61.98833	100.0
62.98538	0.3
69.52356	1.3
69.52766	0.5
71.01395	0.4
88.98845	0.3
102.95308	0.2
111.00925	0.2
113.02503	0.2
123.04552	0.5
134.35336	0.2
135.04535	0.2
153.05612	0.7
162.18729	0.2
165.05606	0.3
208.12646	0.2
216.39931	0.2
315.10962	0.4
335.01929	0.3
355.09015	0.2
379.01169	0.6
379.16269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77790	0.4
59.01381	16.4
60.01721	0.5
61.53659	0.4
61.98833	100.0
65.00346	0.5
65.26424	0.5
71.01402	0.9
98.20625	1.4
107.01406	1.1
109.02956	0.5
117.03496	3.0
118.03825	1.4
119.05077	1.6
121.02938	0.8
142.32941	0.5
145.02983	12.2
146.03336	3.6
151.00412	3.2
152.00792	0.6
161.02513	1.1
163.04089	1.5
166.43312	0.4
178.99887	0.8
205.51508	0.5
211.04027	0.6
229.05116	0.5
243.03043	0.6
254.03380	0.5
255.03088	0.8
256.03333	0.5
267.33859	0.5
271.02612	0.9
285.04056	0.9
286.04398	0.7
291.41803	0.5
300.02740	6.3
301.03473	5.5
302.03934	3.0
304.55899	0.6
307.22833	1.1
315.05109	7.9
316.05441	0.9
320.65143	0.5
377.23569	0.5
378.23907	0.8
379.21283	1.7
379.25641	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	378.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.4
61.51811	0.2
61.98835	100.0
65.00332	0.4
67.01907	0.3
71.01389	2.0
71.72404	0.3
72.99306	0.3
83.01395	1.7
83.05044	0.3
83.98398	0.2
85.02988	0.8
87.00878	0.3
88.98816	1.5
89.02461	1.5
92.68457	0.2
101.02451	1.5
102.19729	0.2
106.93137	0.2
109.02983	1.1
111.00956	0.4
113.02483	0.9
119.03539	0.6
119.35774	0.2
120.99706	0.2
125.02470	1.6
129.92174	0.2
135.04526	0.9
139.04077	0.3
149.02438	0.4
151.00401	2.3
151.03937	0.3
153.01973	29.4
154.02278	1.2
161.04599	0.4
161.06023	0.3
167.03505	0.4
169.01321	0.3
177.01953	0.4
179.05704	0.3
179.07182	0.4
195.02991	1.0
217.10916	0.3
257.10263	0.2
285.08679	0.4
289.07034	0.3
315.07227	11.8
316.07553	1.1
319.13940	1.6
340.07480	1.2
360.08267	0.2
378.08987	0.3
378.14731	0.8
379.11819	0.2
379.15826	1.2
380.27740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33305	0.4
53.04319	0.4
53.06533	0.5
57.03442	1.0
59.01376	6.6
61.98821	1.3
71.01367	2.3
71.67462	0.8
72.69486	0.5
73.02953	1.1
75.00880	0.9
83.51079	0.4
85.02958	1.5
87.04528	0.9
89.02457	1.5
93.03472	2.0
93.85408	0.4
95.01417	1.0
95.05040	0.7
99.00845	0.5
100.08555	0.5
101.02448	2.1
107.01321	0.5
108.02264	0.6
109.02954	0.7
111.04515	0.7
113.02474	0.7
113.06104	0.6
115.04005	0.8
117.03488	0.9
119.03525	0.5
121.02969	7.9
122.03799	3.7
123.00879	0.5
123.04530	1.1
123.08250	0.5
124.01688	1.8
125.02449	0.8
132.02202	1.1
133.02994	1.0
135.04573	0.5
137.02512	0.8
139.04033	11.7
140.04382	0.6
145.03006	0.9
147.04500	1.1
148.01712	0.5
149.02463	99.9
150.03252	27.6
151.03664	1.5
153.05591	0.5
161.04694	1.6
164.04813	21.6
165.05592	27.6
166.06226	2.2
167.07137	6.3
168.00685	0.6
169.01457	1.4
174.07353	0.5
180.04353	2.6
181.08705	1.7
183.10197	0.6
195.06644	15.9
196.07011	0.7
205.03668	0.7
215.12894	0.6
225.11340	0.8
227.03497	1.4
250.35678	0.4
255.03006	2.0
270.08896	0.9
283.09818	2.9
284.03317	1.4
285.03867	0.9
285.11319	1.1
291.56433	0.6
296.06168	6.0
296.56375	1.9
314.11606	33.3
315.11728	4.3
316.27051	0.5
325.06140	0.5
329.13947	100.0
330.14310	12.5
341.10876	0.8
343.52771	0.5
377.08694	1.1
377.15582	2.9
377.25067	4.7
377.29770	2.3
378.25436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2698
Annotation	9-deoxy-9-methylene-16,16-dimethyl -PGE2
Peak:m/z	Relative Intensity
59.01378	1.8
61.98828	1.5
71.70267	0.3
79.47595	0.2
80.62033	0.2
97.82838	0.2
112.26078	0.2
144.01471	0.3
174.75453	0.2
317.24814	0.3
325.66968	0.3
331.22952	0.3
333.24152	0.3
345.20520	0.4
361.23816	2.6
377.26987	100.0
378.27307	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	377.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67131	0.4
51.15499	0.4
57.03436	0.7
59.01379	100.0
60.01722	1.0
61.98833	5.2
63.78360	0.4
71.01390	2.3
71.54948	0.5
71.55286	0.8
85.02960	0.9
85.59584	0.4
89.02481	0.7
95.11575	0.4
96.11202	0.5
96.96062	0.6
99.00887	0.7
101.02493	1.3
113.02481	0.4
117.03510	0.8
119.05073	0.4
122.80072	0.5
133.02989	1.5
135.04581	0.8
145.02977	2.9
161.02470	3.5
161.04541	0.6
179.03616	0.7
211.13490	1.1
229.05078	1.0
255.03012	0.5
285.04086	4.7
286.04523	0.8
305.21484	0.7
317.27005	3.3
323.07791	1.2
333.24435	1.0
348.64072	0.5
377.19470	0.9
377.23285	4.9
378.23856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53621	0.2
54.77711	0.2
55.01889	0.8
57.03456	0.7
58.00598	1.6
59.01382	42.6
60.01725	0.6
61.98845	0.4
69.42879	2.8
69.43283	0.6
71.01388	21.1
72.01720	0.3
72.99319	2.1
73.02959	1.2
83.01389	1.8
85.00622	0.2
85.02954	5.7
87.00887	0.6
89.02457	17.0
92.57272	0.2
95.01405	1.4
95.01904	0.2
97.02917	0.3
99.00922	0.5
101.02457	13.0
102.02803	0.2
113.02469	7.7
113.03232	0.5
119.03518	5.6
131.03503	0.5
143.03500	0.4
149.04588	0.3
183.13928	0.8
195.13908	8.7
196.14302	0.8
213.14941	3.9
252.15790	0.3
304.87457	0.3
314.48422	0.3
357.19147	0.5
375.20258	100.0
376.20627	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	375.2539
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
59.01379	3.9
61.98816	1.1
63.16232	0.3
71.65974	0.5
78.73867	0.3
95.05038	1.1
99.92552	0.5
105.27700	0.3
141.93491	0.3
186.64642	0.3
190.31517	0.3
246.12338	0.5
259.77991	0.3
278.11377	2.8
280.88614	0.3
293.21255	2.9
301.21863	0.6
315.19577	0.7
315.23105	3.5
316.23538	0.6
323.18231	0.3
331.26294	2.0
332.26740	0.6
375.25394	100.0
376.25726	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	377.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43063	0.4
51.87391	0.5
57.03466	0.9
59.01379	3.8
59.61813	0.5
61.03005	0.4
61.98849	1.1
69.37631	2.2
69.38054	3.4
71.01405	1.5
85.03014	0.6
88.39884	0.6
89.02506	1.1
93.03462	3.0
95.05009	0.5
101.02485	1.1
108.02163	0.6
115.07654	0.6
121.02981	5.2
122.03763	11.6
123.04549	1.1
125.02454	0.8
127.07716	0.5
133.02968	0.6
136.01746	1.3
143.10764	0.6
149.02466	37.9
150.03249	84.8
151.03557	4.5
161.04709	0.6
161.50369	0.5
164.04822	7.2
165.05589	100.0
166.05930	5.9
167.07111	1.3
169.01495	1.0
180.04329	6.6
181.04817	0.6
181.08725	1.3
194.96422	0.5
195.06639	57.8
196.06990	4.0
223.53395	0.5
241.01001	0.5
255.03059	0.6
296.06232	0.7
301.11414	0.6
314.11548	7.1
315.11987	0.9
317.16068	0.6
329.13943	20.7
330.14539	2.6
377.08649	0.9
377.25217	3.0
377.29449	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	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
56.67783	0.5
57.03436	2.1
58.00597	2.6
59.01380	32.7
61.98838	1.0
69.03461	2.0
69.58778	4.1
71.01388	24.3
71.05027	1.4
72.99312	1.7
73.02953	5.0
80.02721	0.6
81.03481	0.6
83.01394	2.1
83.05021	0.5
85.02962	6.6
87.00882	1.9
87.04525	0.7
89.02454	18.4
94.04234	1.4
95.01419	2.1
95.05045	6.2
97.02964	0.6
97.06028	0.5
97.06572	2.4
98.03748	7.7
98.19871	1.1
99.00887	1.2
101.02461	13.2
102.02761	0.7
102.66910	0.5
104.23663	0.5
107.05042	7.1
108.05372	0.6
113.02476	8.9
113.09708	1.3
119.03518	7.3
121.10242	1.3
123.08149	2.7
125.02531	0.7
125.09776	1.0
131.03502	0.5
135.08170	1.0
136.08994	0.6
136.99141	0.5
137.09702	0.6
139.11351	0.7
141.09221	0.5
141.12805	0.5
143.03514	0.7
149.04521	0.7
149.09752	2.4
151.11307	76.2
152.11618	4.4
153.09219	1.1
154.10074	2.2
155.10864	0.6
159.02959	0.6
161.04572	1.8
166.06238	0.5
167.10767	0.7
169.01443	0.6
169.12358	12.6
173.11824	0.9
177.09200	0.5
179.05602	1.3
187.13383	1.9
189.02002	0.5
195.10283	100.0
196.10623	6.8
213.11293	1.0
216.13638	1.1
217.14478	3.9
218.14781	0.5
239.39618	0.5
279.85800	0.4
375.10754	0.6
375.19122	0.8
375.23959	0.7
375.27548	17.8
376.27875	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	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75576	0.4
55.39123	0.5
57.03442	0.8
58.00592	2.1
59.01381	43.4
63.17595	0.4
65.72121	0.4
69.47556	2.4
69.47980	2.4
70.04638	0.5
71.01387	28.1
71.85567	0.4
71.88457	0.4
72.99303	1.6
73.02962	4.1
75.32152	0.4
83.01394	0.5
84.47971	0.4
85.02948	3.7
85.78662	0.4
87.00915	0.5
89.02453	30.4
90.02814	0.8
92.87913	0.4
95.05033	1.1
98.20591	0.8
98.65863	0.5
99.04494	1.1
101.02454	1.8
109.06552	0.7
110.92687	0.5
113.02457	2.5
119.03539	0.6
125.02465	0.6
131.03523	1.9
137.02446	0.7
139.11314	0.6
149.04587	3.5
163.11302	4.5
167.44937	0.5
169.01381	0.6
181.12361	36.6
182.12749	2.1
183.10225	1.3
207.10231	1.3
225.11330	100.0
226.11673	6.5
243.12354	3.8
300.99734	1.1
330.98886	0.5
343.08713	0.4
375.16605	82.4
376.04272	1.0
376.16968	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	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46059	0.3
57.03434	0.7
58.00595	1.6
59.01381	36.6
60.01708	0.4
64.09131	0.3
69.51628	3.4
71.01385	20.8
72.99309	1.3
73.02951	4.3
80.02682	0.3
81.97836	0.3
83.01376	0.3
85.02947	2.5
87.00862	0.6
89.02454	23.2
90.02755	0.4
90.95151	0.3
95.05020	1.2
97.06606	0.4
99.04530	1.2
101.02458	1.6
101.03010	0.3
107.05064	0.4
113.02472	2.0
115.07651	0.4
119.03526	0.5
131.03517	1.5
138.77716	0.3
139.11308	0.4
149.04576	1.9
151.11270	0.5
155.05275	0.3
163.09972	0.5
163.11275	3.6
164.11636	0.4
167.74097	0.3
175.65829	0.3
181.12361	32.4
182.12697	2.8
183.10269	0.4
187.41328	0.3
195.10251	0.9
207.10251	1.2
217.14424	0.6
225.11327	100.0
226.11694	6.7
243.12358	1.5
331.08115	0.8
371.54294	0.4
375.16592	47.8
375.27194	1.2
376.16989	5.5
398.22589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37389	0.2
54.67500	0.2
58.00590	1.8
59.01383	2.7
59.83904	0.2
61.98835	2.2
68.99836	0.3
71.01388	4.0
71.46359	0.3
71.46713	0.4
72.99327	0.3
73.02953	1.3
74.99118	0.4
83.01403	0.4
85.02962	1.9
87.00886	3.7
89.02468	1.0
95.01409	0.7
95.05021	0.4
99.00924	0.6
101.02464	2.7
104.37251	0.2
108.02171	0.3
111.00906	0.8
113.02441	1.9
117.03506	0.6
119.05059	0.3
121.02984	2.9
122.03756	0.8
123.00908	0.5
123.04554	0.8
125.02501	0.9
129.01974	0.3
135.04567	0.4
136.04102	0.5
137.02489	0.4
137.06129	0.2
141.01967	0.3
145.02988	2.7
146.03728	0.7
147.04556	1.1
149.02473	36.6
150.03258	48.2
151.00369	0.5
151.03563	1.9
152.01144	0.3
153.01945	0.4
153.05566	0.5
154.05038	0.2
159.03024	0.5
161.02496	3.0
161.04570	3.7
162.03262	3.5
163.04004	1.1
164.04831	17.5
165.05598	100.0
166.05949	5.3
169.01447	0.7
177.01912	0.3
177.05597	2.3
180.04309	3.4
192.04393	0.3
195.06654	19.5
196.06964	1.2
207.06625	0.5
222.64447	0.2
327.10867	7.3
328.11285	0.6
358.83035	0.3
375.09186	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0934
Annotation	capsazepine
Peak:m/z	Relative Intensity
52.46655	0.3
53.37165	0.2
55.01878	0.9
57.01154	0.2
57.03436	0.6
58.44124	0.3
59.01089	0.3
59.01376	4.3
61.98824	2.3
65.00314	0.4
67.01887	0.8
69.03450	0.4
69.61149	0.5
69.61559	1.6
71.01382	5.1
72.99305	1.1
73.02955	2.5
75.00873	0.5
79.01892	1.0
83.01398	1.8
85.02961	3.2
87.00883	0.5
89.02427	0.6
90.53811	0.3
94.54423	0.3
95.01392	1.7
97.02964	0.9
99.00900	0.7
101.02451	5.1
107.01403	3.2
109.02953	0.5
111.00885	2.7
113.02464	2.1
121.80630	0.2
123.00896	15.4
124.01751	1.4
125.02461	15.2
125.03399	0.5
126.02791	0.5
127.00391	0.6
133.31834	0.3
135.04544	0.3
136.98799	1.8
137.02492	0.3
138.11104	0.2
139.00388	4.3
140.01167	3.3
141.01952	2.0
147.49193	0.2
151.00386	12.1
152.00710	0.4
153.01944	0.5
154.99826	0.3
159.02986	0.5
161.04558	0.7
165.02016	0.3
168.00658	4.0
169.01440	20.1
170.01784	0.8
179.03592	0.5
181.05093	0.7
211.02460	0.3
213.04070	0.5
223.08154	0.3
231.85011	0.3
253.03490	0.5
271.04538	0.3
313.05676	1.8
375.09323	100.0
376.09653	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	375.112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98042	7.8
57.03447	0.7
59.01382	7.4
60.97537	1.3
61.98834	7.0
63.96255	1.4
68.21924	0.7
69.49000	1.3
69.49401	6.0
71.01385	3.4
72.99325	5.0
73.02994	1.3
73.98323	2.9
74.99104	100.0
75.99426	0.9
80.91679	2.1
81.03480	0.8
85.02958	2.4
87.00887	18.1
88.98819	2.5
89.02456	3.2
95.01412	1.7
97.02995	0.8
101.02463	2.4
109.02949	0.8
111.00899	1.1
111.04529	1.4
113.02478	1.6
118.98115	5.3
119.03558	1.2
120.99674	12.8
121.02978	0.8
123.00937	1.2
125.02465	2.1
125.05995	0.7
135.98389	2.1
136.99165	67.0
137.02441	1.7
139.00374	1.2
149.02467	0.9
149.06108	1.3
151.04065	3.6
153.01935	1.1
154.02750	1.5
159.04539	0.9
161.04547	2.5
163.07800	0.8
165.05605	2.3
169.05138	1.0
175.02354	1.4
177.01944	1.2
190.06363	6.6
191.05392	0.7
191.07098	2.3
192.02525	5.5
192.07957	0.9
197.04625	0.7
203.01764	0.8
203.03479	1.0
203.07266	0.8
205.03316	5.5
205.08714	9.5
206.04030	3.9
207.04822	5.8
219.04866	1.8
220.01942	1.2
224.05081	5.2
235.04385	1.6
236.05122	14.8
237.05679	1.1
237.11386	1.1
239.07475	61.2
240.07866	4.6
249.06050	1.2
251.07471	36.9
252.07826	4.0
287.02081	1.9
287.09540	1.1
313.09128	1.2
331.00897	0.9
333.19287	0.9
357.10199	2.2
375.11230	55.0
376.11438	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	375.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06419	0.5
52.23446	0.5
57.03436	1.0
59.01117	0.7
59.01385	9.4
61.98838	5.3
69.03455	1.5
69.67220	2.9
69.67638	1.1
70.25099	0.4
71.01389	4.6
72.99311	1.4
73.02959	1.1
73.16911	0.4
74.99104	5.3
75.00899	0.7
78.95915	0.8
83.01389	2.0
85.02982	2.4
87.00903	2.5
88.98830	2.1
89.02477	2.8
93.03516	0.6
95.01398	1.0
96.16455	0.8
97.02953	1.2
98.19859	1.0
99.00902	1.8
101.02469	2.4
108.02266	0.4
109.02973	9.0
110.03296	0.7
111.00897	1.9
113.02459	2.0
119.03485	1.0
120.99676	1.9
121.02950	0.9
122.03708	0.6
123.04577	1.1
125.00702	1.3
125.02473	5.5
129.01941	0.6
131.05048	0.5
133.03009	2.7
134.03763	0.6
135.04543	6.3
136.99168	3.1
137.02484	1.3
139.82855	0.5
141.01904	0.5
145.02956	1.2
146.03810	1.1
147.04556	12.2
148.05339	4.8
149.02460	1.9
149.06107	18.5
150.03258	3.0
151.04039	2.1
151.07675	0.6
159.03131	0.5
159.04504	2.0
160.05296	0.7
161.02499	8.5
161.04681	0.9
161.06099	7.1
162.03117	0.7
163.04050	2.7
163.07683	1.2
164.04782	1.1
165.05611	5.7
167.03529	0.8
168.04324	0.8
169.01424	0.9
169.05099	0.9
172.05403	0.7
173.02550	0.9
173.06096	3.7
174.03236	2.1
175.04051	14.1
176.04785	3.7
177.01953	3.2
177.05554	1.7
179.03503	2.0
180.06754	0.5
185.04559	2.0
185.06026	0.6
187.03993	1.4
188.04771	1.0
189.05598	12.5
191.03546	2.9
191.07164	8.3
193.05083	2.4
194.02196	1.6
195.06636	1.2
203.07130	3.3
205.03362	0.7
205.05080	4.0
205.08824	0.7
207.06671	1.0
212.03250	2.5
215.03601	0.6
217.05080	12.9
218.05470	1.2
219.03021	6.2
221.04582	4.3
221.06546	0.7
229.03630	0.6
235.06113	10.0
237.04045	7.5
239.07530	2.7
247.06183	0.6
249.03929	0.6
249.06183	0.6
251.07382	1.5
255.05115	0.6
267.07193	0.8
277.07211	2.0
279.05142	6.6
287.02005	0.9
287.13306	1.0
295.08228	8.9
296.08493	0.7
331.00943	0.6
339.07236	100.0
340.07593	10.2
357.04825	0.8
375.05365	3.1
375.09683	3.3
376.10184	3.5
378.86716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.3
61.98831	100.0
100.10039	1.3
230.09048	1.5
375.25519	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	374.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80874	1.0
55.81132	1.3
57.03444	1.1
59.01374	7.4
61.98832	100.0
63.30996	1.0
70.72163	1.2
101.79774	1.1
131.91606	1.4
147.70963	1.1
160.63141	1.0
270.73727	1.1
374.29929	2.6
375.21158	1.7
375.25397	19.6
390.47141	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27729	1.0
55.01904	1.1
57.03438	1.7
59.01380	26.3
60.01722	1.2
61.98832	12.4
65.00290	1.1
67.01911	1.1
68.23022	0.9
69.03447	1.6
70.84537	3.6
71.01382	11.5
72.99313	1.5
73.02956	3.3
73.62833	0.9
74.02479	1.0
74.99082	1.1
81.03463	1.5
83.01401	1.7
85.02957	5.6
85.05218	1.0
87.00893	2.9
88.06365	1.0
89.02463	6.9
95.01388	1.3
95.05051	1.1
99.00887	1.1
99.04513	1.1
101.02448	6.6
109.02962	1.8
111.00913	3.8
113.02446	4.2
119.03521	2.9
120.99640	2.9
121.02954	1.5
122.03760	4.8
123.00876	1.7
124.01673	1.2
125.02476	4.0
125.06101	1.2
131.05046	2.5
134.03734	2.5
134.04836	1.0
135.04541	2.3
136.01649	3.4
137.02455	3.8
139.04024	1.4
141.01936	1.2
147.04517	2.5
149.02455	2.9
150.03192	1.3
151.00417	1.1
151.04008	1.9
152.07164	3.3
153.07480	1.2
159.03288	1.1
159.04475	6.1
161.02444	1.7
161.04552	2.5
163.04007	3.3
165.01906	2.0
165.05583	2.5
167.03436	1.4
167.07124	1.2
171.04529	1.7
175.04031	3.5
177.02048	1.8
177.05664	1.3
179.05617	1.1
180.00589	1.2
185.02415	2.0
187.03964	6.0
202.02838	1.3
203.03528	19.6
204.03758	1.8
211.09784	2.1
212.08284	6.7
212.10017	1.5
213.01971	2.6
215.03505	4.6
216.00621	1.5
217.01505	1.3
227.06920	1.8
231.02956	17.2
241.01457	2.6
241.07230	2.9
242.02214	1.2
243.03059	1.7
255.06287	1.5
255.08879	26.1
256.09341	2.0
258.01627	3.0
259.02454	31.7
259.06894	1.9
260.02771	2.9
270.08804	1.3
273.11264	2.4
285.11154	1.7
287.01962	100.0
287.10345	4.1
288.02283	8.7
297.14975	1.1
299.10532	1.6
303.01285	1.8
303.12372	9.2
313.07858	2.2
331.00955	60.7
331.08051	2.7
332.01190	7.0
345.13757	1.7
362.37814	1.2
374.15152	2.6
375.11609	4.3
375.15601	14.1
375.20477	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	373.1507
Annotation	8-Epideoxyloganin
Peak:m/z	Relative Intensity
55.01883	3.6
57.03441	2.3
58.00593	2.6
59.01381	26.1
61.98820	0.8
69.62811	3.2
71.01387	26.2
72.99313	1.7
73.02955	8.7
75.00848	0.6
75.66386	0.4
77.24428	0.4
80.86956	0.5
81.03452	0.5
83.01389	6.0
84.01817	0.5
85.02961	11.5
86.00103	1.7
87.00900	3.1
89.02462	7.6
95.01398	2.2
97.02968	0.6
99.00889	3.2
101.02455	21.6
102.02795	0.6
111.00920	1.0
113.02458	9.1
119.03532	2.5
120.99664	1.6
121.03023	0.4
123.00909	1.3
124.58076	0.5
125.02472	1.4
137.02467	2.0
138.03230	0.9
140.01317	0.5
143.03532	0.9
145.02951	0.5
146.06119	0.9
147.04620	0.5
150.03262	1.7
151.00439	1.0
151.03989	2.2
152.07184	1.2
153.05688	0.7
159.03001	1.3
161.04552	2.1
163.03996	2.4
164.04848	1.8
165.05605	2.0
167.03510	0.5
167.10887	0.5
169.01480	1.0
178.06419	1.4
181.05096	15.7
182.05672	1.4
183.06644	1.0
183.08115	0.5
184.03737	0.5
193.05052	0.5
196.07439	20.5
197.08037	2.0
204.06683	0.8
211.09778	36.8
212.10086	2.2
225.07866	0.6
251.09441	0.5
285.11386	0.9
299.99185	0.7
329.15094	1.1
358.12836	5.3
359.12466	0.5
373.15070	100.0
374.15378	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	373.2747
Annotation	3b-Hydroxy-5-cholenoic acid
Peak:m/z	Relative Intensity
59.01365	0.6
61.98822	0.9
63.12171	0.2
65.83588	0.2
70.02493	0.6
70.02924	0.9
71.01368	0.3
76.30589	0.2
77.53280	0.2
110.64053	0.2
129.22986	0.3
183.46107	0.3
185.03644	0.2
189.14737	0.2
194.32611	0.2
251.06073	0.3
301.25226	0.4
313.25357	2.0
329.28421	0.4
373.27478	100.0
374.27826	13.6
391.29233	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26506	0.2
59.01374	0.7
59.02100	0.2
61.98832	100.0
71.01385	0.6
71.72672	0.3
85.02985	0.2
89.02470	0.2
109.03001	0.6
111.00897	0.3
124.06957	0.2
135.04565	0.7
139.03854	0.2
143.05060	0.2
144.83571	0.2
147.04651	0.2
149.06091	0.5
154.56540	0.2
161.06096	0.5
165.05554	0.3
167.03120	0.2
171.04572	0.4
174.03239	0.3
175.69963	0.2
189.05588	4.9
193.05095	0.2
194.05405	0.5
204.79189	0.2
207.06581	0.4
210.02483	0.2
212.06555	0.4
249.07738	0.2
251.05661	0.4
311.07629	1.3
374.07474	0.5
374.11591	0.5
375.09335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1142
Annotation	Methyl syringate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.35744	0.3
58.08292	0.4
59.01377	2.4
61.98843	2.5
70.00822	2.5
71.01382	2.3
71.05017	1.0
83.01422	0.5
83.06448	0.4
85.02969	0.7
87.00869	0.5
89.02451	0.9
94.05652	0.4
98.19938	0.6
101.02450	1.8
111.00856	0.4
113.02429	0.8
120.99678	0.5
123.00928	0.8
124.01712	0.6
125.02463	1.1
137.02458	1.4
138.03229	1.6
139.04034	1.4
151.03993	0.8
152.07228	0.4
153.01938	0.9
161.04564	1.2
165.01987	4.0
166.02727	94.3
167.03085	4.1
169.01501	0.4
175.06113	0.5
180.04297	1.1
181.05078	96.1
182.05412	5.4
183.17754	0.4
193.05074	0.9
195.03018	1.8
196.03780	20.7
197.04231	1.3
210.05385	1.2
211.06123	100.0
212.06441	5.0
292.57211	0.5
343.10364	2.0
373.11401	48.8
374.11713	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	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.3
61.98831	100.0
68.76514	1.1
69.45349	1.3
69.56967	1.0
69.99477	6.7
74.67902	1.1
81.99191	1.0
83.05026	2.4
88.82950	1.2
92.49765	1.1
94.53008	1.1
138.09859	1.1
215.33827	1.2
350.60315	1.6
372.24838	2.9
373.23828	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	372.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.4
61.98830	100.0
68.05256	0.9
71.50623	2.4
142.74637	1.0
309.46844	1.0
373.16208	1.3
392.77255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72418	0.7
56.29277	0.7
59.01372	2.4
61.98832	100.0
78.70555	0.7
88.27045	0.8
98.20668	1.2
114.47138	0.8
255.68448	0.7
276.77011	0.8
294.14322	0.9
298.43097	0.8
331.44769	0.8
334.79590	0.7
346.15155	0.8
347.29980	0.8
349.17487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96639	0.4
53.97137	0.5
59.01388	2.7
61.98833	100.0
64.76968	0.5
69.69485	1.8
69.69905	2.5
75.00846	0.6
78.11755	0.5
80.33646	0.6
87.16643	0.5
96.38084	0.5
113.74239	0.5
150.07899	0.7
176.50421	0.5
373.27490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1142
Annotation	Dercitamide
Peak:m/z	Relative Intensity
55.01867	1.0
57.03447	0.5
59.01382	4.1
65.00340	0.3
67.01886	0.9
68.99794	0.3
69.03461	0.7
71.01378	4.4
72.99288	0.5
73.02949	1.7
79.01897	1.1
79.28834	0.3
83.01383	1.8
85.02949	2.9
87.00893	0.4
89.02458	0.6
95.01408	2.4
96.99294	0.3
97.02953	0.8
99.00888	1.0
101.02447	4.5
107.01414	2.9
108.22509	0.2
109.02978	0.4
110.00082	0.4
111.00898	2.7
113.02446	1.9
123.00898	14.2
124.01721	1.5
124.37524	0.3
125.02464	13.2
126.02798	0.7
127.00374	1.1
136.98817	1.7
137.02443	0.6
139.00397	5.2
140.01190	4.4
141.01939	2.3
143.65970	0.3
151.00381	12.2
151.03990	0.4
152.00716	0.6
153.01945	0.8
154.99849	0.4
161.04550	0.5
161.05879	0.3
167.03439	0.5
168.00655	4.8
169.01439	14.7
170.01735	0.6
176.98346	0.3
181.05048	0.6
192.51720	0.3
194.99327	0.5
196.07422	0.7
205.89157	0.3
211.02409	0.6
211.09735	1.0
221.10277	0.3
222.98903	0.5
276.83749	0.2
313.05682	0.7
355.03326	0.3
373.11383	100.0
374.11710	10.3
383.49625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.5
60.99300	0.7
63.43767	0.5
64.84937	0.5
67.01901	1.6
69.03478	0.5
69.75516	3.4
71.01387	3.9
72.99319	1.2
73.02946	1.0
75.00878	0.8
83.05000	0.6
85.02952	3.5
87.00881	7.4
87.83354	0.5
88.23463	0.5
93.03472	14.0
97.03040	0.5
98.19858	0.6
101.02468	0.6
109.02968	1.9
109.03668	0.5
111.00915	4.4
111.04520	3.8
113.02454	0.5
119.03535	0.6
121.03019	0.5
123.04536	6.5
125.02480	0.9
127.04018	0.8
131.03477	0.5
134.03748	0.9
135.04541	100.0
136.01665	1.9
136.04869	5.3
136.41382	0.4
137.02483	2.7
149.06027	0.6
151.04002	1.6
153.05602	6.3
155.03520	2.5
165.04132	0.7
167.03482	4.8
173.04567	49.5
174.04904	3.0
175.04070	0.6
179.03543	3.5
179.05620	2.4
191.05629	32.0
192.05972	1.5
197.04565	13.3
198.04787	0.6
201.80133	0.5
204.04257	1.0
233.06583	0.5
235.06279	1.0
251.06848	0.6
341.08768	4.5
342.08936	0.7
353.04633	0.7
353.08740	2.9
363.89218	0.5
371.09842	27.1
372.10254	2.5
386.87939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1136
Annotation	3,5,7,8,4'-Pentamethoxyflavone
Peak:m/z	Relative Intensity
62.30820	0.2
67.01904	0.3
68.99848	0.2
69.77219	1.2
77.38999	0.2
77.70055	0.2
78.25250	0.1
93.03467	1.2
95.01402	0.5
95.05019	0.2
105.03481	0.5
108.02189	1.4
109.02969	15.7
110.03300	0.6
111.00893	0.6
119.05060	0.6
121.02969	13.3
121.35494	0.2
122.03232	0.4
122.03777	0.3
123.00879	1.6
124.01702	1.5
125.02393	0.2
130.04208	0.3
131.05064	0.9
132.05841	0.6
133.02974	0.8
134.03764	0.7
135.04552	1.0
136.01680	22.5
137.02477	10.7
137.03290	0.1
138.03143	0.6
139.01926	0.2
143.05060	0.6
145.02974	5.4
146.03746	1.3
147.04532	3.1
148.05205	0.2
149.02460	5.3
150.03175	0.8
151.04027	25.1
152.04367	0.9
158.03766	1.8
159.04536	10.3
160.05318	17.0
161.02464	1.0
161.06105	12.9
161.07162	0.1
162.03271	0.3
162.06429	0.6
163.00362	0.3
163.04010	0.6
164.04816	0.3
171.04594	0.3
172.42355	0.2
173.02513	0.3
173.06059	0.2
174.03209	1.1
175.04018	12.1
176.04578	0.7
177.05608	0.3
178.02705	0.2
179.03520	0.7
183.08138	0.2
187.04013	2.5
188.04715	0.6
189.05565	3.2
190.06108	0.3
191.03432	0.2
193.01430	3.3
193.06616	0.3
194.02139	0.7
203.07205	0.2
207.03029	0.7
208.03859	1.0
211.07619	1.0
221.06044	0.5
222.06836	0.5
223.07600	0.5
225.05597	0.3
237.05634	0.3
238.06374	0.3
239.07140	5.0
245.00844	0.2
249.05530	0.8
250.06305	1.2
251.06964	0.5
253.05103	0.2
253.08664	1.9
254.05814	0.3
263.07135	0.2
264.07928	0.5
265.05087	0.3
265.08392	0.3
266.05838	1.5
267.06604	12.3
268.07196	2.1
269.08105	0.6
279.06738	0.2
280.07233	0.2
281.05038	0.4
281.08127	2.2
282.05356	1.3
282.08932	2.9
283.09689	1.7
296.06937	0.3
297.07776	9.3
297.11292	1.7
298.08069	0.9
298.11423	0.2
311.09277	2.1
312.10028	16.8
313.10312	1.3
327.12354	1.6
327.25348	0.2
341.06607	0.5
355.08020	0.4
356.09009	28.1
357.05249	0.3
357.09366	3.1
361.48212	0.2
371.11356	100.0
372.11682	11.9
389.12292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01878	1.3
57.03450	2.9
57.40464	0.6
58.00588	1.1
59.01079	1.0
59.01379	19.3
67.01897	0.8
67.17200	0.5
68.99825	0.9
69.03473	1.0
69.73579	4.0
71.01385	15.5
72.99312	5.6
73.02937	3.2
75.00877	18.2
83.01408	1.0
85.02956	20.6
86.03323	0.6
87.00882	7.2
89.02460	4.9
95.01391	5.1
99.00887	11.4
101.02493	1.1
103.00377	4.0
111.00890	1.3
113.02464	29.3
114.02779	0.9
115.00395	2.0
117.01953	4.1
121.02969	100.0
122.03294	4.4
129.01956	2.2
131.03540	0.6
139.00423	0.7
152.26085	0.5
157.01404	1.1
173.38661	0.5
175.02478	3.4
192.00612	1.2
193.03523	2.0
201.63957	0.5
207.02972	1.3
208.03381	0.6
209.03397	0.8
209.06548	1.2
231.05090	4.1
249.06134	23.8
250.06468	1.4
353.08826	2.1
371.09814	85.6
372.10098	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	371.0983
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
51.51296	0.5
55.01880	1.3
56.27492	0.6
57.03452	2.7
59.01379	17.2
67.01891	0.9
68.99832	2.3
69.03445	1.5
70.85735	1.2
71.00983	0.7
71.01382	15.7
72.99306	4.4
73.02945	1.8
75.00877	18.2
78.88007	0.5
81.03452	1.1
83.01396	1.3
85.02956	20.3
87.00886	7.0
89.02437	5.4
91.04008	0.9
93.03474	2.1
95.01391	5.2
97.02962	0.6
99.00890	12.0
103.00388	2.6
109.02975	0.6
109.71252	0.5
111.00883	1.2
111.04572	0.6
112.01594	0.5
113.02457	24.5
114.02840	1.1
115.00381	1.6
117.01960	3.6
121.02966	100.0
122.03280	4.2
129.01941	2.0
130.99911	0.5
157.01421	0.7
175.02502	2.4
189.04022	1.3
202.57620	0.4
231.05080	7.5
243.44031	0.6
249.06131	69.1
250.06509	4.0
350.51987	0.5
353.08719	2.0
354.09079	0.5
371.09824	62.8
372.10202	7.2
387.99603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93309	0.7
55.01876	1.3
57.03455	2.4
59.01378	18.9
61.10476	0.7
67.01894	1.6
68.99823	2.7
69.03452	1.8
69.50333	5.5
71.01387	18.9
71.33664	0.6
72.99313	5.3
73.02934	1.7
75.00880	19.4
81.03484	1.1
83.01406	1.4
85.02959	19.5
86.03304	0.7
87.00883	7.6
89.02466	4.3
93.03463	1.4
95.01401	5.6
98.19865	0.9
99.00884	10.1
103.00391	2.6
111.00870	1.1
113.02464	22.6
115.00393	2.2
117.01937	2.5
121.02973	100.0
122.03294	4.5
129.01913	1.1
144.84785	0.6
157.01488	1.2
173.42633	0.7
175.02516	3.2
186.75697	0.7
189.04042	1.0
231.05031	6.8
249.06154	70.3
250.06461	3.6
253.19197	0.8
311.07828	0.8
353.08810	2.0
371.09830	66.8
372.10150	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	370.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15623	0.4
56.55101	0.4
58.95983	0.5
59.01123	0.5
59.01365	2.4
61.98832	100.0
69.57213	4.3
82.53352	0.6
90.88998	0.5
121.03011	2.1
134.27686	0.4
252.60402	0.5
315.93436	0.5
326.07504	0.9
371.07257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0772
Annotation	Quercetin 4'-isobutyrate
Peak:m/z	Relative Intensity
51.87458	0.4
59.01366	2.2
61.98815	0.8
68.99847	0.6
69.03454	0.7
69.51691	4.3
105.18623	0.5
113.02469	0.4
116.34083	0.4
119.04968	0.5
121.02953	1.0
123.00876	1.0
124.01659	0.7
125.02472	1.0
130.07802	0.5
132.02196	0.4
143.05103	0.5
145.02972	0.6
145.06642	0.7
147.04495	0.6
149.02444	0.6
157.06554	0.9
158.03769	0.5
161.02530	0.5
164.90796	0.4
166.62856	0.4
167.04977	0.4
171.04524	0.8
173.06020	1.2
175.04041	1.1
183.04523	1.6
185.06041	1.2
186.03178	0.6
189.01909	0.5
190.02722	0.8
190.99814	0.5
191.03531	0.9
192.00674	1.5
193.01408	0.9
198.03236	1.0
199.04047	2.1
201.01924	0.6
201.05508	1.7
202.02769	0.6
203.03525	1.9
204.00768	0.8
210.03236	0.7
210.07033	0.4
211.03989	1.4
211.07523	0.5
212.04706	0.5
213.02005	0.8
213.05577	0.7
214.02715	1.9
215.03520	1.5
217.01408	1.0
218.02193	1.0
226.02687	0.9
227.03499	17.1
228.04099	2.9
229.01427	1.4
229.05057	5.1
230.02092	0.8
230.05498	0.6
230.99313	3.1
232.00104	1.8
239.03444	1.1
239.10811	1.6
240.04102	0.7
241.04991	1.4
242.05682	0.5
243.02885	1.5
243.06577	1.3
244.03604	0.7
245.00917	3.7
245.04680	2.1
246.01350	0.6
247.02507	0.8
253.01160	0.5
253.04807	0.6
253.08589	0.9
254.02213	0.7
255.02965	3.1
255.06590	4.5
255.10393	0.5
256.03619	1.8
256.07184	0.5
257.00903	1.1
257.04538	5.2
258.01675	1.8
269.00900	2.0
269.04498	1.9
270.01614	0.6
270.05234	0.8
271.02469	2.3
271.05841	0.7
271.09763	0.8
273.04050	3.1
274.04211	0.6
281.08322	0.8
282.01715	0.6
283.02667	4.1
283.06140	2.0
283.09518	4.2
284.03226	0.7
284.06747	1.3
285.00452	3.0
285.07489	0.5
286.00845	0.6
297.03928	0.7
297.07553	0.9
299.01987	1.0
299.05695	1.5
299.09286	3.0
300.02719	0.5
301.03586	10.7
301.06906	0.8
302.04105	1.7
309.07944	1.2
315.08798	1.4
327.04996	3.1
327.08768	7.0
328.05658	0.9
328.09155	0.6
343.07977	2.1
371.07706	100.0
372.08047	13.1
372.12491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2201
Annotation	Aspidocarpine
Peak:m/z	Relative Intensity
53.75488	0.2
56.24100	0.2
59.01380	0.4
61.98816	0.7
69.92078	1.1
69.92489	0.4
70.39511	0.2
73.02964	0.4
74.71437	0.2
77.18053	0.2
78.95911	100.0
86.49943	0.2
95.96208	0.9
96.96974	35.1
102.32097	0.2
110.64047	0.3
127.00387	0.2
184.82787	0.3
308.76248	0.3
325.07104	0.7
369.06299	0.4
369.22009	16.7
369.29770	0.6
370.22256	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3011
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
61.98827	0.7
69.63335	3.3
71.01398	0.6
71.46225	0.5
85.33356	0.5
88.08644	0.4
98.19813	0.5
107.68492	0.5
193.12427	0.7
241.79677	0.5
250.37921	0.5
281.28036	0.5
305.28558	1.1
307.30054	60.8
308.30389	8.3
325.31116	1.5
351.29028	15.6
352.29413	2.6
369.30096	100.0
370.30487	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	370.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33646	0.6
58.24326	0.6
59.01376	1.8
59.66619	0.6
61.98832	100.0
64.39127	0.5
65.04800	0.5
75.99712	0.5
80.37802	0.6
93.82795	0.5
95.46248	0.6
95.87402	0.5
121.02943	3.4
123.51978	0.6
138.73502	0.6
165.84369	0.6
178.02745	1.0
181.94388	0.6
277.19037	0.7
326.06094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12109	0.2
53.46422	0.3
59.01364	1.1
61.98823	1.0
64.72911	0.3
71.01392	1.0
73.02950	0.3
83.01389	0.3
85.02950	0.3
89.02477	0.4
91.01899	0.7
95.01405	0.5
101.02460	0.8
103.81963	0.3
106.59970	0.3
108.31596	0.3
119.01387	0.9
135.00941	0.5
136.01683	1.1
151.02580	0.3
163.00389	20.3
164.00871	0.8
175.02606	0.3
175.97845	0.3
176.01207	0.4
177.01965	0.9
189.01939	0.3
190.99878	100.0
192.00642	55.6
193.01189	3.7
205.01442	2.6
206.02197	2.4
207.02997	52.5
208.03348	2.9
237.12346	0.5
249.04057	0.7
313.66147	0.3
354.05862	6.4
355.06326	0.5
369.08295	37.3
370.08649	4.4
378.64301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.083
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
59.01371	0.7
61.98820	0.4
69.03454	1.1
69.63161	0.4
69.63370	1.0
69.63785	1.8
84.94763	0.4
85.02974	0.5
107.01406	1.2
119.01385	1.1
120.02226	0.6
120.17819	0.3
123.00872	1.9
135.00902	5.5
136.91797	0.4
139.81134	0.4
147.00963	0.5
150.03247	1.0
150.19543	0.3
163.00383	13.2
164.01265	1.9
177.01897	0.5
189.47858	0.4
190.99883	44.2
192.00659	90.2
193.01044	5.9
205.01457	1.2
206.02222	21.3
207.02994	100.0
208.03316	7.1
245.45692	0.4
282.54410	0.5
301.17209	0.4
354.05914	1.4
369.08276	66.9
370.08594	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	369.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80594	0.7
53.64812	0.6
54.22889	0.5
55.01889	0.7
57.03451	0.9
59.01382	100.0
61.98838	4.6
68.56479	0.6
70.28302	2.2
70.28725	1.1
71.01389	57.0
72.01723	1.3
73.02969	4.1
74.83073	0.5
83.01392	2.1
85.02970	7.2
87.00894	6.0
87.04528	0.7
89.02451	5.2
95.01403	1.3
96.96971	1.0
99.00919	2.2
101.02462	10.1
109.02969	0.9
109.89777	0.7
113.02481	6.7
115.04067	0.7
117.03539	0.7
119.03535	1.3
119.05007	3.5
121.12313	0.7
125.02520	1.0
133.03056	3.2
133.05093	58.6
134.05492	1.2
135.04657	0.7
137.02399	0.8
137.31035	0.8
145.03000	0.8
149.02534	1.0
150.03357	1.0
151.04022	5.1
159.03058	0.8
159.06731	1.0
161.04587	5.7
163.00375	1.2
163.04005	3.4
165.05670	1.9
173.04604	1.8
177.01961	1.6
187.06133	13.6
188.06516	1.1
190.99934	0.8
191.05678	3.5
192.00812	1.1
195.03053	1.3
204.04306	1.1
207.03064	2.6
207.06654	0.8
211.28226	0.8
249.09819	10.0
259.74121	0.7
277.09283	32.7
278.09662	1.9
302.98621	0.7
309.12067	1.4
309.15369	0.8
333.12027	1.6
369.08255	2.4
369.12195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30064	0.9
59.01386	6.0
61.98829	11.5
64.00863	0.8
65.23392	0.7
67.01866	1.7
71.01379	3.5
71.40890	1.6
71.41234	1.4
72.99313	2.2
73.02946	5.5
75.00847	1.2
85.02966	4.0
89.02439	7.7
98.37142	1.0
99.00919	4.2
101.02449	3.0
103.04024	8.3
109.02950	2.9
110.77094	0.8
111.00911	1.1
113.02418	1.4
120.99738	1.0
123.04529	2.0
125.02478	1.6
130.03528	0.9
133.02939	1.2
135.04576	1.1
136.05357	6.5
137.02441	2.5
145.02969	1.0
145.06543	1.3
147.04419	1.3
147.06693	1.0
148.01674	1.0
148.05338	7.5
149.02402	1.7
150.03252	9.2
151.03932	2.6
159.04578	1.7
160.05342	5.1
161.02470	2.1
161.04591	1.2
161.06009	1.2
162.03249	30.0
163.04028	10.2
164.01205	2.6
165.05612	7.4
169.01485	1.2
174.03233	1.9
175.03990	3.3
176.04803	9.0
177.05592	24.5
178.06355	13.7
178.99852	1.2
184.92984	0.9
186.03127	0.8
187.04018	5.6
188.04799	13.6
189.01936	10.0
189.05597	17.1
190.02666	1.9
191.03499	1.8
191.05573	3.0
191.07150	4.1
192.00659	19.7
193.01276	1.8
193.08653	2.3
194.02185	2.5
200.68672	0.8
202.02644	1.6
202.65492	1.0
203.03467	10.8
204.04285	100.0
205.04668	8.7
207.03011	12.8
209.00826	0.9
211.02580	1.1
219.03249	1.2
219.06639	29.0
220.03650	1.6
220.06995	2.6
222.05342	6.8
223.05605	0.9
230.02243	2.6
233.04581	0.9
235.06020	1.5
236.03322	2.1
237.07632	1.9
237.09755	1.3
242.00352	0.9
245.04491	1.6
247.02426	2.2
248.03288	2.0
249.03889	2.0
251.01878	2.4
261.03934	0.9
263.05594	78.0
264.05942	5.6
265.09268	1.0
271.04608	2.0
305.02838	1.6
307.04568	7.9
308.99023	0.9
309.11884	1.6
325.05927	1.3
331.07001	1.0
351.03577	75.9
352.03906	7.4
369.04553	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	368.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
70.91631	0.7
109.02981	0.6
124.01699	0.3
125.02476	2.7
137.02463	0.7
139.04082	0.4
151.04016	0.5
165.01993	0.6
167.03484	0.5
179.03638	0.6
191.05664	0.6
219.06642	0.6
305.06668	6.1
305.09985	0.4
306.06952	0.6
312.00076	0.3
315.24969	0.2
315.29123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
63.50331	0.8
67.01903	1.0
68.02266	0.9
70.10554	4.9
71.01405	1.6
72.99312	1.8
73.02952	1.9
78.17466	1.0
80.73150	1.0
89.02470	1.4
99.00890	4.6
101.02461	1.0
109.02963	1.7
111.00949	2.0
113.02448	1.7
119.05054	0.9
123.04559	1.4
128.91266	1.0
132.21597	1.0
135.04547	2.4
136.05313	4.2
137.02448	3.0
145.01495	1.0
145.02888	1.0
147.04553	1.4
148.01685	2.1
148.05325	5.9
149.02499	1.2
150.03239	9.2
151.03972	3.7
159.04448	1.7
160.05319	5.0
161.02463	4.0
161.06015	1.6
162.03244	30.1
163.04041	12.8
163.06134	1.7
164.01118	1.3
164.23950	0.9
165.05592	7.4
166.02786	1.2
173.04533	1.0
174.03223	2.3
175.04004	2.6
176.04771	8.4
177.01994	1.7
177.05583	16.5
178.06369	12.7
186.03239	1.2
187.04056	4.0
188.04802	9.7
189.01959	11.9
189.03752	1.1
189.04073	1.1
189.05577	12.3
190.02679	2.0
190.05936	1.2
191.03537	1.1
191.05635	3.1
191.07175	4.3
192.00664	20.6
193.01379	3.1
193.08694	3.2
194.02151	2.2
203.03493	8.5
204.04276	100.0
205.04677	8.1
207.02977	9.9
208.03351	1.4
209.00890	1.3
217.05099	1.1
218.02306	1.5
219.06638	36.5
220.03732	2.5
220.06918	1.5
222.05359	8.1
230.02234	2.8
232.00163	1.2
233.04617	1.5
235.06194	1.5
236.03302	3.7
237.07671	1.8
247.02495	1.7
248.03227	3.4
249.04077	2.5
251.02043	3.1
263.05603	76.9
264.05951	5.5
289.03467	1.3
307.04614	9.2
308.04987	2.0
309.11942	2.2
325.05435	1.1
337.02179	1.1
351.03564	68.2
352.04053	7.4
369.04559	7.3
369.08508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.0
61.98829	100.0
70.94743	3.0
71.01383	1.8
121.52152	1.2
219.06293	1.4
255.62347	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	367.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83905	0.3
57.03450	0.3
59.01379	100.0
60.01716	0.9
61.98831	8.5
62.21523	0.4
70.13417	1.2
70.13834	0.7
71.01382	3.4
72.99309	0.6
73.02956	1.4
74.99100	0.9
80.59621	0.4
83.01400	0.7
85.02956	2.1
87.00886	0.5
89.02469	1.2
95.01402	0.6
99.00891	0.6
101.02457	3.8
102.23181	0.3
111.00876	0.3
111.84647	0.3
113.02480	2.0
119.03490	0.3
121.14890	0.3
136.99173	1.8
138.05609	1.8
143.03587	0.4
145.03014	0.6
159.03096	0.6
161.04572	3.5
163.66386	0.4
171.10397	0.3
173.04619	0.6
206.51256	0.3
241.52252	0.4
261.12424	0.4
282.14972	0.3
305.11520	1.3
307.17621	11.7
308.18185	0.8
367.14389	1.0
367.18875	1.7
368.13925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62006	0.2
52.21712	0.2
55.01879	3.9
57.03447	3.0
58.00594	1.7
59.01379	34.2
60.01710	0.4
61.98829	1.8
69.03475	0.5
70.02428	0.9
71.01387	38.7
71.05020	0.8
72.01727	0.7
72.99313	2.1
73.02953	16.1
73.06590	0.7
74.03265	0.2
75.00888	1.0
81.03432	0.4
83.01396	10.1
83.46040	0.2
84.01729	0.3
84.02180	0.3
85.02960	22.2
86.00114	0.6
86.03295	0.6
87.00890	1.7
87.04529	0.8
89.02454	7.0
89.02985	0.4
95.01401	2.5
97.02965	1.2
98.20617	0.3
99.00897	7.0
100.01226	0.2
101.02457	44.7
102.02786	1.1
103.04025	0.3
105.46297	0.2
110.73413	0.2
111.00892	0.9
113.02464	18.4
114.02845	0.4
117.05582	1.8
119.03526	1.8
125.02431	1.5
129.01933	1.2
131.03523	35.0
132.03883	1.3
134.03773	0.7
137.02484	0.3
138.05742	0.2
143.03511	2.4
143.07158	0.3
145.05077	0.5
159.03021	3.6
161.04578	18.5
162.04878	0.6
166.29187	0.2
179.05673	0.7
193.05060	0.9
196.64018	0.2
205.03525	0.8
205.14455	0.6
235.11865	100.0
236.12204	6.1
251.11441	0.2
279.10745	1.0
307.10376	0.3
325.11444	0.6
367.06262	0.3
367.16223	1.7
367.19650	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.3
57.03447	2.9
58.00586	2.0
59.01379	38.8
59.86982	0.3
61.98825	1.7
68.99818	0.6
69.03460	1.1
69.60878	2.6
71.01386	52.4
71.05021	0.7
72.01723	1.0
72.99316	2.7
73.02951	28.1
73.06580	0.9
73.91604	0.3
74.03329	0.3
75.00879	1.6
81.03477	0.7
83.01394	12.7
84.02201	0.9
85.02961	26.5
86.00105	1.2
86.03307	0.4
87.00892	2.9
89.02454	14.5
95.01404	3.8
97.02970	2.0
99.00892	10.8
101.02457	56.3
102.02808	1.2
111.00898	2.2
113.02464	23.5
114.02819	0.6
115.04033	1.3
119.03536	1.3
125.02488	2.5
129.01932	1.7
131.03519	9.2
134.03743	1.8
143.03519	2.7
149.04564	2.3
159.03012	4.7
161.04581	21.4
162.04909	0.6
173.04543	0.4
176.66721	0.3
191.05618	1.0
193.05075	1.7
205.03526	0.4
212.39839	0.4
233.06709	1.5
235.11870	100.0
236.12242	6.5
277.12827	0.4
279.10858	1.0
293.08749	0.4
302.41690	0.4
367.16104	85.5
368.16422	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	366.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79581	0.3
59.01384	1.2
60.20053	0.3
61.98832	100.0
69.55537	1.5
69.55970	1.2
72.99307	0.5
89.02463	0.6
98.20631	0.6
99.00872	0.3
105.59412	0.3
112.98843	0.9
125.06136	0.3
130.80737	0.3
135.03012	0.3
139.07646	0.3
142.99924	0.7
153.05620	1.0
167.07172	0.6
173.01031	0.5
174.01749	1.1
193.05179	0.5
223.77176	0.3
271.08231	0.5
356.64868	0.3
360.78500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03444	0.5
58.00594	1.1
59.01380	29.1
60.01709	0.7
61.98829	2.0
71.01386	11.9
71.71130	0.5
71.71485	0.6
72.99307	2.6
73.02942	1.5
74.99105	1.0
75.00879	4.3
75.02914	0.4
82.02975	0.4
83.01380	0.9
85.02959	3.3
87.00890	2.6
89.02451	8.9
95.01398	1.2
99.00887	1.3
101.02460	6.8
113.02474	4.2
116.05077	9.5
117.05407	0.5
119.03507	3.2
128.05066	1.5
130.06656	2.9
136.99152	1.6
140.05055	0.4
142.06639	100.0
143.06989	5.9
144.04532	0.8
158.06134	11.5
158.07462	0.5
158.12753	0.8
159.06435	1.1
161.04556	0.6
167.07193	2.1
172.04047	0.5
173.04686	0.5
186.05623	47.0
187.05966	2.9
200.07115	0.5
203.12912	1.0
204.06660	30.3
204.13252	1.4
205.06992	2.0
237.06129	0.6
246.07726	2.9
259.89529	0.4
307.17621	1.4
313.12927	2.9
366.11932	87.0
366.18369	5.2
367.12170	11.4
367.18732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39274	0.1
55.01879	0.1
57.03456	0.5
58.00594	0.7
59.01382	13.5
60.01715	0.2
60.03093	0.1
61.98833	100.0
69.03475	0.1
71.01389	9.8
71.72774	0.1
71.73157	0.2
72.99312	0.8
73.02949	0.8
73.79306	0.1
75.00889	0.4
78.40081	0.1
78.95854	0.1
83.01418	0.5
83.05054	0.2
85.02968	1.7
87.00905	1.0
87.04526	0.2
88.95656	0.1
89.02457	13.6
89.66415	0.1
90.02757	0.1
93.03505	0.2
95.01412	0.5
95.05108	0.1
97.02995	0.3
99.00893	0.2
101.02460	4.8
107.03580	0.2
109.02989	0.6
110.69025	0.1
111.04556	0.3
113.02470	6.2
116.05043	0.2
117.05585	0.3
119.03521	5.0
120.03836	0.1
121.02997	0.2
123.00909	0.2
125.02469	3.3
125.93410	0.1
126.02800	0.1
131.03516	0.7
134.03752	0.9
137.02458	1.1
139.04027	0.7
143.03539	1.1
149.02510	0.2
149.04588	0.5
149.06190	0.2
151.04022	0.1
153.01938	0.2
160.04063	4.7
161.04459	7.2
162.04549	0.1
164.01216	0.3
165.01955	0.8
167.03537	1.0
169.01477	0.2
173.04587	0.2
177.02025	0.2
177.05629	0.2
179.03580	0.6
179.05638	8.3
180.06053	0.3
191.05626	0.2
193.01408	0.2
193.05089	1.5
204.02997	0.2
205.03365	0.2
219.06656	0.5
221.04657	0.4
233.07846	0.1
235.11816	0.2
237.07651	0.2
261.07800	0.2
291.10818	0.4
293.08856	1.2
293.12103	0.2
305.06689	6.3
307.10648	0.2
307.13803	0.8
325.11642	0.2
335.09930	0.2
367.08459	1.5
367.11636	0.2
367.16019	0.3
367.20071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04528	0.5
72.02357	0.1
77.57354	0.2
116.05078	2.9
117.05452	0.1
125.80070	0.2
132.04535	0.1
159.03300	0.3
160.04065	100.0
161.04410	5.1
173.04652	0.2
174.05486	0.1
204.03044	4.5
205.03348	0.4
259.05508	0.1
284.51541	0.2
366.08325	21.2
367.08673	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	366.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84470	0.2
59.01382	3.7
61.98832	100.0
69.03475	0.3
69.40704	0.3
69.41113	2.2
71.01408	1.1
72.99329	0.7
73.02947	1.0
77.96522	0.2
85.02968	1.1
87.00924	0.3
89.02446	1.1
99.00896	0.3
101.02517	0.3
111.25338	0.2
117.01971	0.8
131.50694	0.2
134.03796	0.3
135.03072	0.5
135.04581	0.4
138.55081	0.2
139.07700	0.3
142.99905	0.8
147.84859	0.2
149.06087	1.1
153.05615	0.6
166.06319	0.2
167.07152	8.4
171.06619	0.2
173.00958	0.6
174.01726	0.6
193.05183	0.3
193.08719	2.5
211.06078	0.2
221.08382	0.3
225.07771	0.7
271.08258	0.3
295.12155	0.3
313.12933	11.0
339.14532	1.5
351.77518	0.2
357.33215	0.2
367.14001	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	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03433	0.7
58.00591	1.5
59.01380	23.3
60.01692	0.5
61.98785	0.4
69.45675	3.8
69.46006	0.5
69.51147	0.4
71.01383	12.5
72.99316	1.2
73.02955	1.5
74.37219	0.4
83.01401	1.2
85.02959	3.4
87.00880	1.0
89.02455	10.5
90.48711	0.4
95.01395	0.8
95.34713	0.4
95.99538	0.4
101.02446	10.6
113.02463	5.1
119.03530	4.6
127.11278	2.4
152.82359	0.4
155.10793	1.7
157.12347	12.6
158.12730	0.9
161.04568	0.5
171.13928	0.8
179.05580	0.5
185.11832	1.9
187.13350	1.0
199.13388	1.4
203.12877	36.2
204.13246	2.4
245.13966	1.2
246.75865	0.5
259.81012	0.4
351.89325	0.4
365.18161	100.0
366.18475	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	364.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
61.98833	100.0
64.36878	0.3
69.48199	2.2
69.48607	0.7
70.91180	0.3
71.01397	0.3
84.69111	0.3
120.04733	0.3
224.08194	0.3
255.66928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.7
61.98834	100.0
69.48917	2.8
69.49320	0.7
85.03005	0.4
100.81956	0.3
120.66204	0.3
146.54915	0.3
149.60805	0.3
151.00441	0.4
152.88281	0.3
195.19948	0.3
266.46173	0.3
315.52899	0.4
365.04459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74540	3.1
52.70835	3.8
55.12449	3.0
57.03447	8.3
57.70026	3.8
59.01385	14.7
68.99844	5.7
69.85041	24.4
71.01380	38.5
75.73962	3.8
83.01400	11.6
85.02969	14.0
87.00900	9.6
88.20236	3.3
96.95952	4.3
96.96993	9.7
98.12166	3.5
98.19887	4.0
99.00900	35.5
101.02460	4.5
104.47247	3.2
111.00928	28.8
112.98821	100.0
113.02512	5.1
115.00398	15.2
119.91428	3.6
122.14419	3.8
124.98833	7.0
129.01965	16.3
133.01488	7.8
141.05586	3.3
142.99875	72.0
159.01030	9.9
160.04073	56.4
172.99443	4.7
173.00931	89.4
173.04572	6.0
191.02051	6.0
191.05612	31.7
248.93932	4.0
267.07202	8.4
327.13080	4.7
330.69235	3.5
365.10281	6.8
366.08298	13.9
366.14178	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	365.088
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
56.61209	0.3
57.03453	0.3
59.01381	5.9
61.98830	6.5
71.01388	3.3
71.71532	0.6
72.99310	0.5
73.02940	2.1
74.99104	0.6
83.01381	0.4
85.02960	1.5
85.06605	0.5
87.00912	0.4
89.02457	2.1
95.01379	0.3
96.95969	0.3
101.02440	2.6
105.19825	0.3
113.02467	1.4
119.03537	0.7
119.05092	0.5
120.99662	0.4
133.02946	0.4
136.99141	0.7
145.02992	1.3
147.04506	0.5
155.60478	0.5
157.02914	0.5
158.03749	13.5
158.05042	0.7
159.04538	5.5
161.04524	1.0
163.91229	0.4
171.04529	1.8
173.02409	0.6
175.04070	0.5
177.01912	0.4
185.06152	0.5
196.03304	0.5
201.01924	0.7
201.05618	2.3
202.02722	100.0
203.03151	8.6
203.07103	0.6
203.12921	0.8
204.03972	0.4
205.01453	0.4
213.05566	2.5
215.03461	0.4
227.03471	0.7
231.06615	1.6
245.04482	1.5
275.05478	2.0
305.16122	0.4
330.24802	0.4
334.24646	0.3
365.08780	52.3
365.17792	2.2
365.22076	1.0
366.09088	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	364.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24033	0.4
59.01379	5.4
61.98831	100.0
63.59806	0.4
65.55226	0.5
69.03428	0.5
71.01395	2.3
73.02962	0.7
83.01418	0.7
85.02952	3.8
87.00900	0.6
89.02465	1.9
95.01423	0.5
96.96031	0.8
96.96992	1.7
97.02963	0.4
101.02453	1.3
108.02231	1.2
113.02488	1.4
119.03552	0.6
143.03517	0.6
146.08270	0.9
160.04094	0.7
161.04613	0.6
161.46664	0.4
169.01508	0.6
227.07141	0.4
305.12653	0.6
315.07425	1.7
347.39969	0.4
365.06052	0.4
365.10580	0.6
365.14636	1.7
370.64813	0.4
385.34839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23638	0.3
61.98832	100.0
67.88712	0.3
78.82140	0.2
105.99442	0.3
112.79366	0.2
183.13931	0.6
229.33177	0.3
239.58687	0.3
365.23550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
61.98832	100.0
63.68076	0.2
66.15615	0.3
71.76370	0.4
85.03733	0.3
109.18645	0.3
116.86266	0.3
122.59363	0.3
163.43031	0.3
183.13889	0.7
301.16614	0.7
358.21103	0.3
365.03094	0.4
365.19760	0.9
365.23535	0.5
375.96100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
59.01382	100.0
59.48210	1.1
60.01705	1.9
61.98831	12.0
66.34161	1.4
67.01879	1.8
69.03471	2.8
71.01384	15.9
71.70243	1.2
71.73658	1.7
71.74046	1.4
72.99323	10.4
73.02958	5.4
74.99099	5.5
75.00866	2.2
79.25495	1.4
81.03506	1.3
83.01395	3.5
85.02958	7.1
87.00883	4.2
89.02435	9.6
90.16314	1.2
93.03487	2.1
99.00880	5.0
99.04537	2.3
101.02476	12.0
107.01430	1.4
109.06602	1.3
111.00906	3.3
112.98851	6.9
113.02473	6.2
113.99632	2.0
115.00400	3.5
115.15546	1.3
117.01954	4.8
118.72585	1.1
119.03522	3.7
119.05092	1.4
120.99664	4.1
121.02967	2.0
121.06614	1.6
123.04539	2.1
123.08169	3.5
125.02451	3.0
125.06070	2.0
135.04565	2.6
136.99174	6.3
137.02441	2.5
137.06123	2.4
139.07649	5.1
142.99873	2.0
143.03493	1.7
147.04541	7.4
149.06088	1.7
151.04079	2.2
153.05612	8.9
160.04083	1.6
161.02457	1.7
161.04567	3.2
165.05606	5.2
167.07169	11.4
171.06703	1.8
173.00975	9.5
174.01729	76.4
175.02481	7.8
183.06639	1.9
183.10321	1.6
184.09811	3.9
200.75235	1.6
201.07674	2.9
201.11304	4.3
211.06195	16.0
256.07492	2.2
271.08194	18.1
301.12241	1.8
327.11136	2.9
331.09198	1.5
363.11896	7.3
363.16595	19.7
364.10654	1.8
364.16507	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
58.84382	0.5
59.01379	10.8
61.98816	0.7
65.99848	2.3
68.99820	0.7
69.03451	1.0
69.57395	3.1
69.57829	3.0
71.01389	7.0
72.99310	1.3
73.02953	1.8
75.11023	0.6
77.26795	0.7
82.02992	42.2
83.01392	4.7
83.03304	1.1
85.02963	3.5
85.06637	1.6
87.00887	2.1
87.04505	0.9
89.00682	0.7
89.02448	4.0
92.05054	1.3
93.03433	1.0
94.02971	2.7
95.01389	1.2
99.00890	1.3
99.04515	1.9
101.02462	4.3
105.02213	1.1
108.04559	1.1
110.02504	1.1
113.02466	4.4
119.03534	1.7
120.00989	0.6
120.04588	1.6
120.99662	2.8
121.01717	1.5
122.02444	1.9
122.06129	5.1
125.02480	2.2
125.25568	0.7
132.02133	0.6
134.02449	0.8
135.04555	0.7
136.04068	27.0
136.07690	1.6
137.04446	1.4
137.09735	0.7
138.05618	1.4
143.03522	0.8
144.04585	0.6
150.03151	0.6
150.05608	1.7
151.04037	0.7
151.87967	0.6
152.03499	1.0
160.07663	1.8
161.07207	1.7
164.03560	43.1
165.03951	1.6
167.03656	0.6
169.01431	1.5
173.04625	4.7
175.55475	0.6
176.07224	1.6
177.10423	0.8
178.08789	1.2
180.03087	1.7
182.04565	3.0
183.10321	3.5
188.07202	0.8
194.04604	26.8
195.05354	5.7
196.06181	28.3
197.06490	1.6
201.09415	0.8
201.11320	3.5
202.08772	2.0
203.08377	1.1
204.06744	1.5
215.08005	0.8
216.06589	0.7
217.06348	1.0
219.11525	0.8
227.08255	1.1
229.06134	1.3
231.07774	3.4
231.11275	2.2
242.02632	0.8
243.04297	0.7
243.07806	0.8
244.09830	6.8
245.09303	3.3
249.09874	0.7
257.12915	2.5
258.06415	2.8
259.07150	1.4
259.10913	2.1
267.07187	0.8
269.09253	2.3
270.07602	4.6
271.07199	4.5
272.07813	1.1
275.13031	0.7
287.10382	100.0
288.10709	8.6
291.09683	2.2
313.08322	2.4
315.08856	0.8
319.12930	2.5
331.09366	55.8
332.09741	4.9
345.10901	1.2
363.03940	0.9
363.11893	13.6
363.16562	23.1
364.12085	0.8
364.16885	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	361.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17409	1.1
55.01882	1.6
56.33990	1.1
57.03436	1.8
59.01382	83.7
61.98818	2.8
71.01391	16.4
71.76167	1.6
71.76538	1.2
72.99323	1.2
73.02949	5.8
74.84177	1.0
78.79633	1.0
80.02687	1.0
83.01399	5.2
83.03831	1.1
83.05017	2.7
85.02959	8.7
87.00865	1.6
89.02456	3.5
93.03466	3.5
95.01403	1.2
95.73258	1.0
99.00866	2.3
99.53768	1.0
101.02454	13.6
103.38661	1.1
104.18463	1.0
109.02959	7.7
113.02444	4.8
119.03552	1.9
121.02965	22.9
122.03758	13.8
123.04543	3.4
124.01653	1.7
134.03712	1.2
134.54637	1.3
135.04541	2.5
136.05299	1.6
137.02458	3.8
147.04539	9.4
149.06111	2.0
154.02776	2.7
155.10765	1.9
161.06131	4.1
164.04819	1.5
165.05595	27.5
165.07004	1.7
165.12836	1.3
166.05841	1.8
179.07121	13.0
180.07869	1.6
199.09723	2.5
199.13431	7.8
200.60521	1.1
209.11842	88.4
210.12180	5.1
223.09644	1.4
227.12814	3.9
313.14429	1.8
315.12320	2.7
316.12811	1.5
331.15283	1.8
343.08154	1.6
346.14203	8.5
361.09250	3.4
361.18500	100.0
362.16943	6.9
362.18820	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	362.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75359	0.5
55.01881	0.6
56.16994	0.5
57.36449	0.5
59.01382	5.3
59.12653	0.5
59.84126	0.5
61.98831	100.0
71.01392	2.3
71.05067	1.5
73.02986	0.7
78.95928	0.7
87.58080	0.5
89.02464	2.0
93.03486	0.5
96.96976	1.0
101.02479	1.3
111.04529	0.7
113.02481	1.0
120.99698	0.9
121.03022	0.8
125.02422	0.6
137.02483	0.7
137.06096	0.9
138.06479	1.5
139.04033	1.0
160.80370	0.5
161.04694	0.6
161.08221	0.5
169.01425	1.2
270.82043	0.5
290.05667	0.6
299.07651	0.7
363.01443	0.7
363.12827	1.0
363.16995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41662	0.5
52.74223	0.5
59.01376	3.1
61.98814	0.6
65.99859	2.0
67.58971	0.4
71.01389	1.2
71.06862	1.1
71.07200	0.6
78.03495	0.8
79.79658	0.5
82.02992	38.1
83.01387	3.0
88.98775	0.7
89.02441	0.9
92.05083	0.9
94.03003	2.3
99.00857	0.7
100.87502	0.5
101.02431	1.1
105.87565	0.5
108.04556	0.8
110.02522	0.7
111.11127	0.5
118.03019	0.5
120.00999	0.6
120.04565	1.0
120.99711	0.8
121.01740	1.2
122.02470	1.2
122.06155	4.1
125.02432	0.6
136.04063	26.3
136.07709	0.9
137.04463	1.1
138.05647	1.1
143.64693	0.6
148.04115	1.1
152.03523	1.9
160.07700	1.7
161.06088	0.5
161.07234	1.2
162.02081	0.6
164.03552	40.0
165.03909	1.9
172.07626	0.5
172.30328	0.6
176.07156	1.3
177.10321	1.0
178.08727	1.4
180.02991	0.9
182.04599	2.6
183.10191	0.6
186.05606	0.7
188.07167	0.9
191.05917	0.5
194.04601	20.5
195.05385	6.9
196.06177	24.5
197.06485	1.3
200.07205	0.6
201.09201	1.2
202.08749	2.6
203.08185	0.7
204.06656	2.1
215.05962	0.7
216.06683	0.8
217.06285	1.3
219.11409	0.7
228.06738	0.9
229.06116	1.1
230.06781	0.7
231.07813	2.7
241.09842	0.6
242.08136	0.8
243.04185	0.5
243.11340	0.8
244.09790	6.3
245.09328	3.8
254.06978	0.7
258.06369	2.8
259.07181	1.9
259.10870	2.4
269.09363	2.0
270.07697	6.3
271.07254	3.9
272.07880	1.4
287.10370	100.0
288.10730	9.5
291.10013	2.4
313.08273	2.2
319.08487	0.7
319.12994	2.9
331.09357	47.8
332.09811	5.1
363.12305	7.8
363.16522	1.2
363.24222	1.3
364.12479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	97.6
60.01715	1.1
61.98830	0.7
69.39559	7.2
71.01390	5.9
71.07501	0.7
72.99316	0.9
73.02940	1.0
81.03461	0.8
83.01404	0.9
83.05046	2.0
85.02952	1.4
89.02464	1.4
90.33003	0.7
100.16811	0.7
101.02450	3.4
113.02494	1.4
125.99553	0.8
129.80196	0.7
163.11259	1.6
165.12802	1.2
181.12386	0.8
199.13387	8.4
209.11833	100.0
210.12143	6.7
227.12900	5.7
232.93848	0.8
343.17468	1.5
361.09265	2.8
361.18719	36.5
362.18991	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	361.1142
Annotation	Procumboside
Peak:m/z	Relative Intensity
55.01873	1.0
57.03441	0.4
58.00582	0.9
59.01379	22.6
61.98822	1.7
67.01891	1.1
71.01385	18.8
71.61784	0.5
72.99307	1.4
73.02960	0.6
75.00874	0.7
79.40964	0.5
83.01384	0.8
85.02959	4.1
85.43972	0.4
85.93102	0.4
87.00883	1.7
89.02454	20.7
91.74358	0.4
93.03435	0.5
95.01398	1.5
95.96173	0.4
97.02963	0.8
99.00892	0.8
101.02454	10.3
107.05074	0.4
111.00896	2.1
111.08170	9.7
113.02463	9.1
119.03525	9.8
119.05042	1.0
122.03756	20.6
123.00959	0.6
123.04082	0.5
124.01672	1.3
125.02460	0.6
131.03513	1.2
137.06100	100.0
138.06432	4.5
139.04012	3.8
143.03514	2.0
149.02470	0.7
149.04611	0.9
154.02785	0.9
155.07141	1.7
156.96359	0.4
161.04582	2.4
163.04062	1.6
167.13339	0.4
179.05635	3.4
181.05087	16.6
181.08725	0.6
182.05429	1.0
199.06161	8.9
249.06223	1.5
260.28522	0.4
361.07654	1.7
361.11435	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	361.1502
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
53.76761	0.7
55.47615	0.6
57.03434	2.8
58.00607	1.3
59.01380	33.4
61.98834	4.7
66.91325	0.7
67.01933	0.7
69.03452	1.0
69.68195	5.6
71.01385	18.8
72.99314	6.8
73.02953	2.0
74.99081	1.6
75.28342	0.6
79.84743	0.6
79.98701	0.6
83.01385	2.2
85.02961	4.2
87.00919	1.2
89.02456	14.1
93.07098	5.6
95.01405	1.8
95.05022	0.8
96.96021	1.2
101.02456	11.7
108.02206	1.1
109.06620	1.2
111.00909	5.4
111.04528	1.0
113.02477	6.8
119.03517	6.1
119.08685	21.8
120.09001	0.7
120.99667	4.1
125.02506	1.4
135.08165	3.9
137.09752	1.1
138.02008	7.1
139.02344	4.7
140.07219	1.4
145.02950	2.4
148.04047	1.2
151.00378	0.8
151.04027	0.6
153.09195	1.6
161.04625	1.1
163.07698	5.5
179.03481	2.4
179.05641	0.9
181.08713	16.9
181.79430	0.7
182.09122	1.1
182.90413	0.6
191.05724	1.0
192.03006	0.8
195.10240	0.8
199.07924	1.4
199.09760	24.3
199.11572	1.5
200.10149	2.4
216.00621	0.7
219.04492	2.0
225.09225	1.0
238.09642	2.0
241.10977	0.9
253.08678	1.6
261.83191	0.8
273.11612	1.0
282.08679	0.9
299.09354	1.6
317.06735	0.9
325.09161	1.0
331.08246	0.7
343.10400	4.7
346.10620	0.9
361.10239	7.5
361.15070	100.0
362.10873	1.3
362.15424	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.1
59.01381	52.0
61.98832	15.1
71.01389	14.5
71.41047	1.4
71.41376	1.7
73.02949	4.1
80.10767	1.2
83.01381	1.9
85.02962	6.5
87.00899	1.5
89.02461	4.5
93.03494	1.3
95.01375	5.3
99.00902	1.6
101.02471	10.2
109.02930	2.6
111.00890	2.7
113.02446	6.3
117.32051	1.1
121.02972	3.8
122.03755	1.3
122.06185	1.1
123.00900	100.0
123.04535	3.2
124.01735	13.7
125.02466	5.4
137.02446	5.0
137.06108	5.6
138.03246	83.3
139.00395	1.7
139.04054	29.1
140.01091	1.7
140.04393	1.6
149.02438	2.1
151.04050	6.8
159.02979	2.1
161.04578	25.0
163.04102	2.2
166.02753	2.2
169.01404	8.3
178.02731	2.3
181.05078	9.6
182.99376	2.3
193.05070	4.2
199.06154	1.8
209.06628	1.3
211.02481	1.5
241.13432	1.0
271.04581	3.9
301.09308	47.5
302.09561	4.1
310.32245	1.1
361.07510	5.4
361.11670	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	360.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42307	0.8
54.28580	0.8
59.01386	7.3
61.98821	1.1
65.13052	0.8
67.01868	1.0
67.64521	0.9
71.01376	3.5
71.66676	1.1
71.67023	1.0
72.00902	5.8
72.98920	1.8
72.99314	26.1
74.36240	0.7
85.02967	1.4
89.02431	1.2
93.03440	2.7
101.02451	2.1
107.08702	1.5
107.37624	0.9
108.02177	2.7
110.02484	1.0
111.04517	1.2
117.50758	0.8
119.05090	1.7
120.99676	2.0
127.70657	0.9
138.01994	20.9
141.22749	1.0
143.89575	0.9
145.02995	1.2
173.04517	1.5
181.06554	2.1
181.08719	2.9
193.06607	9.4
199.09737	2.2
207.08182	8.1
209.06093	3.1
211.07666	3.9
219.08176	16.7
220.08456	1.7
223.07686	5.7
224.08408	3.1
224.10519	0.9
225.09198	6.3
226.09326	1.0
228.10258	1.1
234.09271	2.4
235.07683	8.2
236.10728	2.4
237.05736	4.2
237.09221	35.6
238.09578	3.6
244.07387	1.3
251.07201	2.9
252.07794	1.1
252.10228	10.7
253.08688	7.7
253.10939	1.5
254.11899	6.3
255.06598	1.4
255.12274	1.0
256.07404	3.5
263.07111	10.6
268.09769	2.7
269.07990	1.6
270.11475	1.7
279.06708	2.7
280.09802	11.1
281.08099	18.5
282.08514	1.1
296.09375	6.0
297.07614	6.1
298.10965	4.7
299.09128	5.2
307.06146	3.5
314.10294	11.2
315.08450	1.0
316.11993	2.3
318.07495	1.4
324.08871	12.4
325.06973	1.7
342.05435	1.9
342.09839	99.6
343.09937	9.0
360.10901	100.0
361.10806	11.8
361.15118	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	361.0907
Annotation	Flustramine F
Peak:m/z	Relative Intensity
59.01369	8.1
70.19335	10.8
71.01386	7.1
85.02918	2.6
89.02457	6.9
101.02455	4.1
134.00525	2.8
148.61363	2.7
152.91876	2.7
161.04489	4.0
163.06090	5.4
168.99771	2.4
179.05632	4.8
232.78296	2.5
235.46303	2.3
325.11368	34.2
326.11728	3.7
361.09070	100.0
362.09363	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	361.0931
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
72.99317	14.5
93.03466	2.0
107.05048	0.5
115.62214	0.4
118.94077	0.5
119.05093	0.6
123.31185	0.5
142.35703	0.5
144.49559	0.6
162.25275	0.5
181.06638	1.4
193.06642	5.6
195.08246	0.8
199.07635	0.7
207.08167	9.4
208.08499	0.7
209.06102	1.9
209.09607	0.8
211.07690	2.5
213.09178	0.7
219.08162	12.1
220.08574	1.1
223.07660	2.1
224.08359	1.8
225.09210	8.8
226.09436	0.8
227.07201	1.1
229.42969	0.6
235.07622	8.1
237.05493	2.1
237.09216	27.5
238.09479	2.9
241.08693	2.2
251.07245	2.3
253.08699	26.0
254.09119	2.4
255.06641	1.3
255.10269	1.4
256.07422	1.1
263.07156	6.3
269.08228	5.8
270.08514	0.7
271.09659	0.6
279.06671	1.6
281.08206	17.9
282.08536	1.6
297.07678	6.9
298.08081	0.7
299.09283	7.2
307.06094	2.9
315.08743	52.5
316.09109	4.4
317.10245	0.9
317.94672	0.5
325.07147	5.8
325.18710	0.6
343.08246	37.5
344.08633	4.4
361.09305	100.0
362.09586	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	359.1502
Annotation	5-O-Methylhirsutanonol
Peak:m/z	Relative Intensity
50.01077	0.7
50.60640	0.6
57.03421	0.8
59.01371	1.1
61.98821	1.3
82.36538	0.7
95.05022	0.9
98.20618	1.6
105.07138	0.8
107.05067	1.7
108.02187	2.1
115.53224	0.6
121.02970	4.9
121.06628	2.4
122.03766	0.9
123.04570	3.5
126.13940	0.6
135.04550	27.2
136.04855	1.0
137.02486	0.9
145.03012	1.0
147.04486	2.0
149.02493	1.7
149.05000	1.1
149.06104	10.2
150.03246	7.6
151.03931	0.8
163.03975	2.0
164.04834	1.2
165.05571	4.3
165.86389	0.6
166.06313	1.1
179.03621	0.7
179.07156	27.4
180.07942	65.6
180.28963	0.6
181.08290	4.9
182.05789	1.5
182.59529	0.6
192.07909	1.4
193.08505	0.8
194.05876	4.7
194.09468	3.0
195.10287	7.8
208.07426	15.5
209.07777	1.1
212.05032	0.9
212.06865	3.2
221.08188	1.1
222.08974	1.5
223.09763	100.0
224.10075	9.3
226.08453	6.4
235.09837	1.5
238.06183	0.6
240.04251	1.0
253.04893	0.6
254.05876	1.3
255.10323	1.0
269.08182	10.3
270.08505	1.0
271.09976	1.0
281.08087	2.3
283.09705	5.8
296.10724	0.8
299.09277	7.6
300.09982	2.1
311.09283	10.9
312.09561	1.4
314.11627	8.6
314.85623	0.8
315.12167	2.1
316.12979	0.7
325.10956	0.8
326.11600	9.2
327.11908	0.9
329.13953	21.8
330.14304	2.5
331.15622	5.3
341.13931	12.3
341.90442	0.8
342.14362	1.4
357.34021	0.7
359.14969	17.1
360.15277	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	359.0984
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01860	1.2
55.81702	0.6
58.00580	2.8
59.01380	64.8
61.98823	0.7
69.56080	2.5
69.56507	2.9
71.01387	32.5
72.99297	3.2
73.02926	1.3
77.10754	0.7
83.01369	2.1
85.02947	7.8
87.00871	1.4
89.02450	24.5
93.03462	1.1
95.01385	2.4
101.02461	18.4
109.02959	1.6
113.02461	12.6
119.03528	8.9
120.99602	0.8
121.02976	5.4
123.00884	2.9
123.04572	0.8
125.02367	1.0
127.00427	1.2
135.04529	1.1
137.02451	5.2
138.03195	2.8
138.05627	1.1
139.00377	2.5
139.04008	2.4
143.03506	0.9
153.01971	1.6
153.05594	8.0
155.03421	0.8
165.01996	1.3
166.02716	1.0
166.99835	1.8
179.03459	0.9
179.05605	1.0
180.04282	1.5
181.01372	4.5
182.02240	7.1
182.05840	1.4
183.02969	1.7
195.06680	1.9
196.03802	4.9
197.04565	48.2
197.08130	3.4
198.04927	2.7
211.06146	9.6
224.03271	4.3
225.03831	1.3
239.05606	27.9
240.05881	2.2
269.06754	3.8
271.09698	0.9
299.07706	6.6
331.36655	0.7
342.09848	1.0
344.07458	2.8
359.09830	100.0
360.10229	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	359.0986
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01385	2.4
59.52441	0.4
61.98831	1.4
65.06590	0.4
66.73095	0.5
69.66386	1.7
69.66817	1.9
71.01392	1.7
73.02924	0.4
85.02947	0.6
87.00890	0.4
94.13837	0.4
101.02468	1.1
109.02985	1.5
113.02525	0.5
120.99673	1.2
123.00913	0.8
123.04504	0.7
135.04530	1.4
137.02470	0.6
138.03261	5.4
138.05565	0.5
141.02031	0.4
151.04030	7.4
152.04822	20.5
153.02019	0.7
153.05609	20.9
154.05940	0.9
159.04521	0.6
161.04732	0.5
165.05606	1.2
166.02690	1.2
166.99884	1.5
173.04552	0.4
173.06036	0.4
178.02748	34.8
179.03204	3.0
181.01447	1.1
182.02246	17.7
182.03886	0.5
183.02551	0.6
185.06032	0.4
189.05688	0.5
196.03802	86.3
197.04541	25.5
197.08295	0.5
198.04935	1.0
203.03734	0.4
241.05069	1.0
267.06680	0.5
271.09897	0.6
279.06143	0.4
299.09158	0.5
313.10803	0.8
341.08875	4.6
344.12659	1.8
359.09869	100.0
360.10190	10.7
360.14771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0984
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
50.89490	0.3
58.31892	0.3
59.01377	2.4
61.98831	0.8
62.91395	0.3
65.68511	0.3
69.98357	1.0
69.98784	0.8
71.01372	1.6
73.02942	0.7
83.01416	0.4
85.02972	0.6
87.00878	0.3
87.04487	0.3
87.93843	0.3
89.02467	0.6
89.37349	0.3
90.55989	0.3
92.66271	0.3
93.03421	0.3
95.01404	2.6
98.19838	0.4
99.04543	0.6
101.02483	0.6
107.05068	0.3
109.02931	0.3
111.90521	0.4
113.02462	0.4
115.04026	0.4
117.76942	0.3
123.00900	36.6
124.01253	0.8
125.02452	0.4
136.05318	0.3
137.02487	1.2
137.06088	0.5
138.03244	48.2
139.03574	2.0
153.01976	0.5
153.05591	16.4
154.05925	0.7
161.08223	2.9
166.98441	0.6
166.99866	9.8
168.00316	0.4
179.03525	0.3
179.07114	0.4
181.01448	0.5
182.02223	35.7
183.02562	1.7
191.05617	0.3
197.04555	100.0
198.04903	6.1
237.09203	0.3
239.05617	0.9
270.19739	0.3
302.19135	0.3
342.09763	0.4
350.91458	0.3
359.09830	4.7
360.10739	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	359.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	84.6
60.01719	1.3
61.98831	4.0
70.55825	1.2
72.99328	2.1
73.02941	0.5
73.42484	0.3
81.14851	0.3
90.19575	0.3
90.97150	0.7
102.80466	0.3
106.31201	0.3
108.44517	0.3
114.98881	2.6
117.00440	0.8
132.98199	1.9
137.51231	0.3
156.14018	0.3
156.90898	2.2
156.99956	5.8
157.03549	1.6
158.00111	0.4
159.01515	2.4
161.98967	0.6
174.99277	21.4
175.99556	0.8
193.86916	0.3
198.91940	1.9
198.99431	0.6
201.02571	26.3
202.02751	2.5
204.00127	0.5
215.00462	0.7
215.04120	1.0
217.00314	100.0
217.97945	1.7
218.00653	3.9
218.98090	0.5
232.98529	0.8
259.01553	0.4
273.01627	0.8
274.99594	3.3
275.99777	0.8
299.01117	2.6
300.01053	0.7
317.00623	5.7
318.00708	1.7
340.93149	0.6
359.01599	12.8
360.01816	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	359.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07996	0.4
57.03457	2.7
58.00579	0.8
59.01382	9.3
61.98832	7.4
62.98542	0.4
65.00326	2.3
67.01887	2.2
68.99818	3.1
69.03439	0.6
70.99926	0.7
71.01389	5.8
72.99310	1.2
73.02982	0.5
75.00861	0.8
77.31570	0.5
81.03468	2.0
83.01396	15.4
85.02969	1.8
87.00872	0.8
89.02467	4.1
93.03460	0.8
94.03009	2.6
95.01406	1.3
97.02978	0.9
98.06130	0.8
99.00909	0.8
101.02459	2.8
105.53909	0.5
107.01398	2.1
107.05064	0.8
108.02182	0.9
109.02976	9.4
110.03301	0.5
110.06148	0.6
111.00906	1.3
113.02450	1.8
119.03516	1.7
120.99683	0.5
121.02969	2.1
123.00899	3.9
123.04537	2.2
124.04065	10.5
125.02467	36.9
126.02856	0.8
131.03548	0.5
135.00914	0.5
135.04539	10.5
137.02423	2.0
138.01990	7.8
138.03226	3.0
139.04036	1.8
141.01993	0.8
142.05130	0.7
149.02475	4.8
149.06105	1.0
150.99176	0.7
151.00394	14.1
151.04076	1.0
152.00906	0.6
153.01959	100.0
153.05438	3.0
154.02313	4.2
154.05145	1.1
161.04617	0.7
165.01924	0.5
165.05595	0.7
166.05084	0.6
166.99899	3.5
167.03503	3.9
169.01424	1.2
173.04576	0.7
174.38074	0.4
177.01938	2.6
178.99889	3.5
179.03526	1.5
179.07251	0.6
180.06766	0.5
182.02238	2.7
185.00958	1.8
191.05690	1.2
195.02989	2.1
197.00943	0.7
197.04558	12.7
198.04964	0.5
207.03148	0.4
217.00302	1.4
239.05594	2.0
242.05905	1.5
243.06613	0.6
257.07788	12.4
258.08093	0.8
271.09756	3.2
272.10092	0.6
287.07745	1.5
299.06540	0.8
315.07220	8.7
315.10812	0.6
316.07498	0.8
329.08777	1.2
336.80917	0.4
341.05264	1.1
359.06155	10.9
359.10489	15.3
360.06445	1.2
360.10834	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	357.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	13.7
59.01386	5.4
61.98824	4.2
64.42734	1.0
66.39955	0.9
67.25256	1.1
69.03474	1.1
69.55345	9.7
71.05012	4.0
73.02969	1.0
81.03473	1.5
83.01408	2.3
83.05028	3.5
85.02957	2.0
87.04523	16.6
97.06596	2.4
97.71834	1.0
99.00894	1.9
99.08168	1.3
99.77298	1.0
101.02451	1.3
111.08184	2.7
113.09753	2.4
121.02970	7.4
123.08184	1.1
125.09725	2.0
127.11297	7.4
139.11322	9.6
143.10719	1.6
146.03767	2.2
151.11305	1.5
153.12881	2.0
155.10757	1.4
157.12341	4.5
169.12352	4.2
171.13916	9.8
183.13908	2.9
195.06583	1.1
200.14030	1.4
201.14929	8.1
202.15329	1.5
229.18002	1.3
239.20097	2.6
253.21719	3.9
311.25943	8.2
313.27481	36.2
314.27750	5.1
342.11221	1.2
357.06100	2.4
357.13470	4.5
357.26471	100.0
358.13596	1.1
358.26804	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	358.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01381	6.8
59.89447	0.3
61.98832	100.0
62.98511	0.4
65.00341	0.7
66.54947	0.3
67.01911	0.6
68.99835	1.1
69.03454	0.6
71.01392	3.8
71.69645	0.5
72.99332	0.9
73.02944	0.4
81.03469	0.7
83.01390	4.0
84.34779	0.3
85.02962	1.2
87.00876	0.7
89.02470	2.6
92.64887	0.4
93.03474	1.1
95.01392	0.8
101.02467	2.0
101.27590	0.3
107.01415	0.7
108.02206	0.6
109.02990	3.8
111.00916	0.5
113.02466	1.2
119.03513	1.0
120.99699	0.5
121.02998	0.6
123.00907	2.1
123.04561	1.3
124.04067	2.3
124.87019	0.4
125.02466	9.7
135.04544	9.3
137.02477	1.2
138.03268	2.4
139.00343	0.6
139.04034	0.9
147.24553	0.3
149.02435	2.0
149.06097	0.7
150.03094	1.1
150.06537	0.9
151.00404	4.2
151.03741	1.1
152.04810	0.6
152.07117	0.5
153.01959	26.7
153.05594	3.3
161.04608	0.7
163.03969	0.7
164.04750	0.5
165.01978	1.0
165.05580	1.4
166.05978	1.7
166.99899	1.5
167.03485	1.9
169.01358	0.5
174.99399	0.5
177.01953	1.1
178.99910	1.5
179.03491	1.7
179.07224	0.6
180.04074	1.6
181.01471	0.5
181.04663	0.7
182.02249	2.3
191.03699	0.3
191.05563	0.7
195.03094	0.8
195.06540	1.9
196.07016	2.3
197.04572	8.8
201.02458	0.8
217.00299	1.7
226.13889	0.4
239.05661	1.2
242.05931	1.0
257.07755	2.8
271.09848	2.0
315.07266	2.8
319.39148	0.4
329.08801	0.7
341.05127	0.6
358.11945	1.0
359.06198	3.5
359.10239	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	357.1346
Annotation	Matairesinol
Peak:m/z	Relative Intensity
50.57613	0.4
53.91846	0.3
55.01880	4.6
55.18536	0.4
57.03434	0.5
59.01376	1.1
68.12805	0.4
71.01367	0.8
71.05035	0.6
72.56053	0.3
73.02934	0.9
83.01395	92.2
84.01718	1.9
85.06592	0.4
87.04516	0.4
88.46150	0.3
93.03467	1.2
97.06636	0.4
108.02173	0.4
109.02993	0.8
111.08123	0.3
116.98031	0.3
121.02967	12.2
122.03767	21.4
123.00879	0.5
123.04574	6.4
124.01647	0.5
135.04533	0.7
136.01695	1.1
136.05327	4.4
137.02493	1.9
137.06107	14.9
138.06512	0.6
147.04541	7.6
149.06107	0.7
151.03999	0.8
154.02716	0.7
160.05350	0.3
161.02444	0.7
161.06090	3.9
162.06885	2.2
168.04251	0.9
175.03979	0.4
176.04880	0.6
177.05627	0.4
191.07080	0.4
195.06444	0.4
204.04213	0.6
209.08170	3.1
219.06528	0.4
221.08192	8.0
222.08543	0.7
229.28639	0.4
279.10440	0.4
283.09738	0.5
295.13464	0.4
297.11649	0.4
297.24399	0.7
298.12161	1.5
299.12579	0.4
313.14359	2.2
313.27405	1.2
321.24380	0.7
342.11093	8.1
343.11581	1.0
345.28537	0.4
357.13437	100.0
357.26132	4.3
358.13806	13.5
358.26727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1343
Annotation	(+)-Epipinoresinol
Peak:m/z	Relative Intensity
51.51706	0.2
57.03439	0.6
68.99817	0.6
69.03449	0.3
82.37704	0.2
87.04532	0.9
91.05544	0.5
93.03462	4.7
93.17213	0.2
105.03490	0.9
107.05035	0.9
108.02206	0.9
109.02971	7.4
111.00906	0.3
117.03477	3.7
119.05046	1.0
121.02974	35.8
121.29926	0.2
122.03832	4.4
123.00876	0.3
123.04586	1.4
123.18336	0.2
124.01665	0.9
125.02398	0.2
127.11264	0.3
131.05084	0.6
133.02986	4.1
134.03763	4.2
135.00912	0.3
135.04547	7.1
136.01680	5.8
137.02470	23.3
138.02821	0.5
139.11417	0.3
143.05066	0.3
145.02946	0.6
145.06641	0.3
146.03755	0.5
147.04538	3.9
148.05051	0.2
149.02464	5.1
150.03067	0.3
151.04034	7.9
152.04420	0.4
154.02724	0.3
158.03758	0.4
159.04544	1.4
160.05307	1.4
161.02473	4.3
161.06064	1.9
162.03252	3.5
163.04022	8.4
164.04831	2.6
165.05591	0.4
171.04588	0.3
173.06122	1.4
174.03296	0.4
175.04018	6.1
175.05475	0.4
176.04802	2.5
177.05600	5.3
179.03520	5.2
180.03983	0.3
187.04025	1.4
189.05562	2.5
190.06384	1.2
191.07143	2.7
193.05113	0.8
201.05649	1.2
201.14841	0.3
203.03548	0.2
217.05014	0.4
219.06606	0.3
238.06322	0.2
240.46523	0.2
241.05092	0.4
263.07050	0.2
264.64700	0.2
265.08661	0.4
267.06671	0.3
279.06540	0.3
283.09879	0.3
293.08136	0.3
297.07581	1.2
299.09341	0.6
311.09180	0.4
311.26028	0.4
312.09875	1.2
313.10675	2.3
313.27533	1.0
323.09210	0.3
324.06055	0.4
324.10043	7.7
325.10342	0.8
327.08786	3.9
327.12274	0.2
328.08862	0.3
340.09842	0.2
341.10373	4.6
342.11093	80.2
343.08231	0.2
343.11429	8.4
357.13440	100.0
357.26080	3.8
358.13782	12.9
358.26895	0.3
375.14545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1342
Annotation	Negundin B
Peak:m/z	Relative Intensity
52.25964	0.5
57.24221	0.4
59.01381	4.6
61.98855	0.6
71.01398	0.7
71.75665	0.7
72.99308	0.6
85.02965	0.9
102.02911	0.5
106.06667	2.2
107.06958	1.9
108.02139	0.7
109.02977	1.3
113.80457	0.5
115.57253	0.4
120.99662	0.6
121.02946	0.5
122.03776	1.1
124.01690	0.8
124.80656	0.5
125.02486	0.5
132.02200	8.7
135.04556	1.3
137.02521	1.0
145.03011	3.9
146.03760	7.4
147.04422	0.5
150.05661	1.2
151.04028	0.9
151.05965	1.0
160.01682	23.6
161.02498	3.0
161.06071	5.1
165.05603	1.0
167.07159	29.8
168.06186	0.5
168.07512	2.0
170.27769	0.5
171.10278	0.9
175.04047	1.5
176.04787	0.6
181.05078	1.5
184.05351	0.6
189.05620	0.7
190.06355	1.0
193.06836	0.6
194.04590	0.7
195.04887	1.0
195.06540	0.9
195.10049	0.5
196.05266	1.5
196.07111	0.4
197.06046	1.1
197.08057	0.5
198.06895	2.9
207.08151	0.5
209.06079	1.7
210.06915	1.5
211.04112	0.7
211.07675	0.9
212.04799	13.8
213.05241	1.1
222.06870	0.5
223.07686	1.8
224.04826	1.9
225.05519	0.9
225.09195	1.8
226.06381	1.6
227.10806	0.9
230.05861	1.4
237.05646	1.5
237.09135	0.5
238.06323	4.3
239.07124	1.9
239.10817	2.2
240.04318	1.2
241.08699	3.2
242.09155	0.6
243.10271	11.2
244.10573	0.8
249.05502	0.6
251.07159	1.8
252.04317	1.4
253.05106	0.9
253.08669	1.7
254.05637	0.8
254.09407	1.2
255.10251	6.4
256.10889	1.4
263.07071	0.7
265.05048	3.1
265.08621	0.7
266.05792	5.2
267.06580	5.6
267.10202	0.9
268.03888	0.9
268.07437	1.0
269.08115	2.8
270.08847	0.9
271.09738	12.9
272.10104	1.3
278.05875	0.5
279.06662	1.6
280.07410	0.6
281.08142	6.8
282.05612	1.4
282.08914	9.6
283.09744	22.4
284.10074	2.6
293.08188	0.5
294.09204	0.7
295.09778	1.8
296.10367	1.4
297.07733	1.2
297.11374	1.5
298.05161	0.6
298.08575	1.2
299.09253	9.5
300.09436	0.9
309.07660	7.7
310.04919	0.7
310.08466	13.4
311.09244	93.7
312.09943	33.7
312.13843	0.7
313.07343	0.6
313.10446	2.9
325.10825	15.6
326.11588	42.8
327.08768	100.0
327.12311	17.6
328.09109	9.6
328.12637	1.0
340.09476	8.3
341.10257	11.0
342.11069	49.5
343.11414	4.7
357.13431	86.6
358.09940	0.7
358.13797	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	357.1344
Annotation	4,6,4'-Trihydroxy-2,3'-dimethoxy-3-prenylbenzophenone
Peak:m/z	Relative Intensity
52.91004	0.6
59.01370	2.6
61.98818	2.0
65.03979	0.6
67.01882	4.1
68.99799	0.7
71.01383	0.8
72.99302	0.6
73.27122	0.7
79.51097	0.7
81.03481	1.0
83.01384	2.4
93.03480	0.9
95.01395	3.6
97.01030	0.7
99.08182	0.7
108.02191	28.2
109.02988	11.4
111.00896	9.9
111.54618	0.6
121.02966	7.3
123.00904	26.9
123.04538	19.4
123.05429	0.7
124.01689	16.2
124.04916	1.0
125.09711	1.2
125.33202	0.8
135.04556	2.2
136.01642	1.6
137.02423	0.7
138.03246	1.4
139.00406	1.0
159.04565	1.2
163.04018	2.6
165.05565	1.6
173.06122	2.0
174.06915	7.5
175.07538	1.5
177.05573	2.6
189.09245	5.1
190.06325	2.4
191.07175	11.4
192.07431	0.8
200.98059	0.8
205.08682	1.6
218.05832	1.0
219.06541	1.4
233.08186	5.8
295.94788	0.6
297.11899	0.7
313.07175	1.3
313.27554	2.0
327.08670	1.0
341.10352	0.9
342.11081	9.4
343.11380	0.8
357.06161	5.6
357.13440	100.0
357.26239	3.9
358.13791	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	357.1342
Annotation	2',4',5,7-Tetramethoxy-8-methylflavanone
Peak:m/z	Relative Intensity
59.01383	2.4
61.98833	1.4
62.71983	0.6
69.03511	0.7
69.82118	4.2
71.01389	1.1
98.19924	0.7
108.02178	6.8
109.02990	2.8
115.08995	0.7
121.02965	0.8
122.03776	0.7
123.04553	2.3
125.02483	1.1
132.02200	8.1
138.87767	0.7
145.02979	4.8
146.03723	1.4
147.04431	1.2
152.01196	3.0
153.02048	1.1
159.04541	0.9
160.01675	21.6
161.02368	3.2
165.05539	1.0
167.07158	28.3
168.07416	1.0
173.04800	0.7
175.03995	1.7
184.78925	0.7
193.05046	0.7
196.05316	1.1
197.06020	1.0
198.06920	3.2
208.05452	0.9
209.06082	1.6
210.06776	0.9
211.04045	0.9
211.07454	1.3
212.04790	12.4
213.05424	1.5
223.07661	1.7
224.04829	2.1
224.08151	0.8
225.05470	1.1
225.09276	1.5
226.06372	1.1
227.10760	1.4
230.05887	2.0
237.05458	1.6
238.06367	3.9
239.07150	1.6
239.10799	1.9
240.04146	0.6
240.47083	0.8
241.08710	3.3
243.10286	10.1
251.07086	1.8
252.04347	1.8
253.05077	2.1
253.08673	1.9
254.05939	1.1
255.10251	6.9
256.10852	1.1
265.05054	2.4
266.05792	7.2
267.06607	5.0
267.10349	0.9
268.03714	1.3
269.04721	0.7
269.08115	4.0
270.08734	0.9
271.09738	13.8
272.10110	1.4
279.06885	0.7
281.08194	5.2
282.08884	8.2
283.09738	21.7
284.10275	3.2
295.09982	2.5
296.10529	1.0
298.08167	1.1
299.09247	11.8
300.09729	1.0
309.07651	7.0
310.08484	14.0
311.09241	98.4
312.09912	33.3
313.10648	3.2
325.10782	14.4
326.08511	0.7
326.11584	46.4
327.08771	100.0
327.12329	17.0
328.09177	11.1
328.12805	2.1
340.09506	9.6
341.10269	13.0
342.11072	47.7
343.11469	6.4
357.13434	88.7
358.13809	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	357.119
Annotation	202-791
Peak:m/z	Relative Intensity
55.01876	1.7
57.03446	1.8
58.00592	0.9
59.01383	18.2
59.04869	0.6
61.98820	0.7
69.03460	0.5
70.44003	1.2
71.01386	21.1
72.99299	1.2
73.02944	6.9
75.00890	0.8
76.81802	0.4
78.26427	0.4
83.01391	3.6
85.02960	10.5
87.00890	1.9
89.02451	7.0
93.03467	24.7
94.03805	1.0
95.01401	3.5
96.99319	1.1
97.02975	1.0
99.00922	2.2
101.02457	18.4
104.46584	0.5
108.02172	1.4
111.00864	0.5
113.02459	9.3
119.03528	2.8
119.05080	0.5
121.02977	1.5
125.02468	1.5
129.01953	0.5
131.03535	0.7
133.10423	0.4
136.01663	2.7
137.02464	71.3
138.02785	3.4
143.03539	1.0
147.04561	0.5
159.02966	1.3
161.04593	4.2
163.04033	0.6
165.09189	0.5
177.09270	1.8
178.02704	0.7
179.03514	0.6
179.05638	0.7
183.10292	1.2
189.31253	0.5
191.03571	0.9
195.06526	0.4
221.04614	1.5
229.19736	0.4
237.09758	0.5
260.07544	0.5
281.06705	1.6
311.09296	0.6
327.08789	0.7
357.11896	100.0
358.12222	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	357.1192
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
57.03443	0.3
58.00594	2.7
59.01374	2.5
61.98836	1.8
67.64052	0.3
69.71848	0.6
69.72236	1.9
69.95584	0.3
71.01386	4.8
72.99309	0.5
73.02956	1.5
74.40435	0.3
75.00877	0.5
83.01411	0.4
85.02965	1.8
87.00880	5.8
89.02460	0.7
91.05182	0.3
93.03464	1.0
95.01411	0.7
99.00891	0.6
100.35415	0.3
101.02452	2.7
107.01394	0.3
108.02203	0.7
109.03000	0.6
111.00903	1.1
113.02444	2.9
117.03486	1.2
119.05031	0.5
121.02960	5.4
122.03761	3.7
123.00927	0.5
123.04551	0.8
124.01697	0.9
125.02455	0.5
127.00471	0.3
129.01973	0.9
133.02994	0.8
134.03798	0.4
135.04532	0.7
136.01665	3.5
137.02480	2.4
137.06104	0.7
139.00319	0.3
139.04018	1.1
145.02977	6.0
146.03793	1.7
147.04500	1.5
149.02460	33.5
150.03246	34.7
151.00381	0.3
151.04012	3.3
159.03052	0.5
161.01521	0.2
161.02469	5.8
161.04538	2.5
162.03261	6.4
163.04071	1.5
164.01167	5.0
164.04813	15.5
165.01945	21.4
165.05577	77.5
166.02301	1.0
166.05942	4.6
168.00650	1.1
173.04561	0.6
177.05576	4.1
178.02701	0.5
179.03506	49.3
180.04289	35.9
180.05977	0.6
181.04622	1.7
183.02963	3.5
193.05049	0.9
194.05846	15.5
195.06627	100.0
196.06952	6.4
207.06575	0.5
222.05316	0.5
237.07732	0.6
252.43129	0.3
269.08002	0.4
297.11838	0.4
313.09152	0.4
327.10782	2.8
357.08182	1.3
357.12061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87521	0.6
57.01311	0.7
57.28146	0.5
58.00590	1.0
59.01382	32.3
61.98841	0.9
63.11988	0.5
69.57648	5.0
71.01390	19.9
72.99310	2.0
73.02959	1.1
83.01392	1.2
84.24605	0.6
85.02958	3.8
87.00884	0.7
89.02457	15.7
95.01414	1.7
98.19813	1.0
101.02460	12.7
102.26686	0.6
103.60404	0.6
108.02213	0.8
109.02972	0.6
113.02471	6.6
119.03522	7.6
120.99664	3.1
122.06079	0.8
123.54086	0.6
124.01676	0.7
131.03540	1.0
134.03761	1.4
135.04594	0.8
137.02411	1.1
143.03499	0.6
147.08228	1.6
149.04546	1.0
151.04047	3.7
152.07187	4.4
161.02470	2.2
161.04602	1.0
162.03255	65.8
163.03920	4.1
165.05597	0.8
165.09235	12.8
177.05597	100.0
178.05936	6.0
179.03506	1.6
179.05649	0.9
180.04311	19.1
181.04631	0.7
194.05937	1.3
195.06651	33.7
195.10297	1.9
196.06967	1.6
357.12021	3.3
358.11752	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Junipediol B 8-glucoside
Peak:m/z	Relative Intensity
50.14500	0.6
58.00582	2.2
59.01377	3.2
61.98830	1.3
67.01897	0.6
71.01370	3.5
71.41365	1.4
73.02945	1.3
83.79383	0.6
85.02959	2.0
87.00882	5.0
89.02460	1.5
93.03463	2.0
95.01402	0.9
99.00882	0.6
101.02452	1.8
108.02174	0.9
110.18618	0.6
111.00878	1.4
113.02446	2.5
117.03474	1.6
120.99670	0.7
121.02943	4.8
122.03751	2.1
123.04568	0.7
124.09839	0.6
135.04591	1.4
137.02551	0.7
145.02951	5.3
146.03766	1.4
147.04497	1.9
149.02458	46.6
150.03246	48.7
151.03554	2.8
161.02472	5.3
161.04477	2.9
162.03259	7.2
163.03986	2.2
164.04807	19.6
165.01923	1.7
165.05582	100.0
166.05956	6.5
173.04565	4.4
177.05571	3.5
179.03481	3.8
180.04288	9.7
183.03065	1.6
194.05833	1.3
195.06631	36.8
196.06985	3.0
198.73808	0.6
207.06570	1.4
237.07797	0.7
250.73674	0.6
282.87860	0.6
327.10883	4.5
357.08325	1.4
357.12595	0.9
359.30911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
61.98832	5.8
71.01382	0.8
71.66447	0.3
72.99325	0.2
73.02967	0.2
74.02478	0.5
75.00873	0.5
84.78423	0.2
85.02941	0.2
89.02463	0.7
93.03464	0.5
98.02483	0.6
99.00906	0.2
101.02504	0.4
108.02177	0.3
109.02956	0.7
113.02436	0.3
120.99687	0.5
121.02991	0.3
121.29825	0.2
123.04515	0.5
124.01688	0.8
125.02444	0.4
134.02496	0.2
134.06146	0.5
135.02873	0.2
135.04535	0.5
137.02469	2.4
145.02963	0.8
149.02507	0.3
149.06126	0.2
150.03145	0.2
151.04033	6.2
152.04373	0.3
152.07150	0.4
161.02466	0.7
162.03249	23.8
163.03979	2.8
165.05627	0.7
177.05585	5.8
178.05057	0.3
179.02046	0.3
179.03531	5.1
180.04300	61.7
181.04651	3.8
191.03557	0.3
194.05824	0.3
195.06638	100.0
196.07001	6.2
237.06105	0.6
269.08286	0.4
269.11218	0.3
294.12756	0.9
304.06259	0.2
357.08066	1.0
357.11932	9.5
358.12213	1.4
358.16275	0.3
378.75015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.0
61.00776	3.9
61.98834	100.0
71.69800	7.8
76.72185	4.4
80.21149	4.2
97.58833	4.6
121.02972	12.4
141.62479	4.2
147.27518	4.8
164.87273	5.7
313.27420	15.5
356.19543	7.6
357.06311	7.5
357.13275	9.8
357.26288	30.0
357.30173	13.0
378.11279	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.3
64.03152	1.0
69.32649	10.3
69.45003	0.9
71.01390	11.0
71.38800	0.8
72.99330	2.4
73.02952	1.4
75.00886	6.0
83.01383	1.3
85.02970	3.8
87.00886	24.7
89.02450	8.5
89.20156	0.9
93.03481	2.8
99.00905	3.4
101.02470	5.6
103.03425	1.2
105.01954	22.0
108.02191	1.3
108.24088	1.0
113.02439	2.9
119.03542	3.2
119.05037	20.5
120.05389	1.1
121.02943	1.2
123.04556	1.3
129.01968	1.1
135.04520	2.2
135.06676	2.3
137.02434	1.2
139.04088	1.0
147.03026	3.8
150.03247	1.4
150.06868	1.3
151.03995	1.3
163.04076	6.6
165.04060	100.0
166.04427	2.7
167.60316	1.1
169.01466	1.4
173.04593	5.2
174.82707	0.9
179.03522	3.5
179.05644	1.0
180.04276	1.8
183.03035	3.0
191.05666	2.7
195.06662	4.0
207.03030	5.7
225.04100	1.4
253.93758	0.9
269.00833	1.0
297.11877	14.0
298.12418	1.4
339.02542	2.3
342.53308	1.0
342.74243	1.0
357.07764	14.1
358.08588	1.4
359.33670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2491
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
57.03453	5.4
58.16404	0.6
59.01390	3.1
61.98830	2.2
71.01382	1.6
71.05029	7.9
71.68629	1.0
71.69019	0.7
72.02182	0.6
73.02976	0.9
80.80117	0.6
83.05028	1.4
85.02961	1.6
85.06609	1.9
87.04523	21.7
93.56657	0.6
97.06627	1.4
109.06621	1.0
111.08193	4.6
117.49571	0.6
121.02953	0.9
123.04560	0.7
125.09755	1.2
137.09734	5.7
138.10013	0.9
139.07614	0.7
139.11325	0.8
141.05766	0.7
141.12871	16.4
149.05455	0.7
151.11301	7.8
153.12846	2.4
155.10814	1.6
161.06100	0.7
163.04016	0.9
169.12363	6.2
177.12877	2.0
181.12393	1.9
183.13849	5.6
193.01405	0.8
195.13918	1.3
197.15511	1.0
197.56171	0.6
205.05090	1.2
211.17053	1.6
223.20653	2.0
227.16582	1.1
229.18102	1.3
233.19104	7.3
234.19437	1.0
251.20164	3.5
265.21738	8.1
266.22113	0.8
275.23984	0.9
277.21738	7.8
278.22064	0.8
293.21597	0.6
293.24905	1.1
295.22736	5.8
296.23154	1.0
309.24319	9.3
310.24789	1.5
311.22324	1.5
311.25906	25.2
312.26270	2.8
337.01959	1.0
337.23749	0.7
355.24899	100.0
356.25220	13.3
367.51831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2853
Annotation	2-Oleoylglycerol
Peak:m/z	Relative Intensity
59.01380	0.5
61.98830	1.1
69.03478	0.4
70.47816	0.6
70.48216	0.7
71.05030	0.4
74.81053	0.3
75.60677	0.3
84.50227	0.3
91.69312	0.2
115.04034	0.6
162.91431	0.3
170.07079	0.3
239.32530	0.4
265.25153	0.5
291.26904	0.8
293.28491	65.5
294.28827	7.9
311.29440	1.8
337.27487	17.6
338.27872	2.2
355.28525	100.0
356.28867	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	356.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19660	0.3
57.16165	0.4
59.01380	4.6
61.98831	100.0
70.48059	1.5
71.01395	2.9
73.07210	0.4
73.25436	0.4
75.00878	1.3
85.02981	1.1
85.06598	0.8
87.00905	0.4
89.02462	2.3
93.03479	0.7
99.00976	0.4
101.02464	1.5
107.05036	0.4
107.40170	0.4
109.02956	0.7
111.29997	0.4
113.02477	0.6
113.06158	0.4
114.31973	0.4
119.03501	0.7
120.99686	0.6
122.06075	0.4
123.04512	0.5
124.94823	0.3
125.02543	0.4
131.07152	5.1
134.02498	7.4
135.04553	1.1
135.06718	0.3
137.02470	1.1
148.32448	0.4
150.03238	0.4
151.04028	1.7
159.04573	0.5
159.54680	0.4
162.03244	3.9
165.05563	0.4
169.01411	0.5
173.04619	0.8
174.01794	0.6
175.02057	0.6
177.05577	2.0
179.03546	1.6
180.04300	11.3
181.04010	0.4
191.03671	0.6
191.05740	0.6
193.01332	0.9
194.01730	0.7
195.02971	0.7
195.06639	20.6
237.06090	1.3
238.68935	0.4
263.37906	0.4
269.08176	1.7
293.12402	17.9
294.09674	0.4
294.12830	1.2
356.10654	2.7
357.08221	1.9
357.11972	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	356.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81787	2.5
53.19752	2.3
58.33908	2.3
59.01379	26.8
61.98827	96.6
70.03445	12.5
75.39270	2.3
83.01390	3.1
98.20536	3.3
121.02969	8.0
160.41330	2.7
173.04924	3.0
182.00517	2.4
295.26471	19.4
297.24341	81.4
313.27579	4.8
357.06113	3.8
357.13535	5.3
357.26453	100.0
357.30167	9.2
357.60266	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	355.1243
Annotation	galactopinitol A
Peak:m/z	Relative Intensity
55.01886	3.2
56.32552	0.7
57.03450	2.9
58.00589	2.1
59.01379	100.0
60.01714	1.2
61.98840	2.1
69.03456	2.5
71.01384	65.2
71.74535	1.6
72.01732	1.2
72.99313	3.8
73.02950	49.0
74.03286	1.0
75.00881	1.2
83.01395	13.9
85.02956	24.0
87.00895	4.3
87.04515	1.0
89.02456	28.0
90.47235	0.8
95.01389	4.0
97.02968	3.4
99.00893	2.7
99.04541	1.4
101.02454	50.7
102.02791	1.1
103.04045	4.5
108.02174	0.8
109.02974	2.4
111.00900	1.2
113.02467	21.2
115.04031	3.0
117.01954	1.6
119.03522	10.8
121.57056	0.8
123.04575	1.2
125.02471	2.4
127.04039	1.7
131.03563	4.2
133.05083	26.4
134.03761	1.3
135.04538	1.5
143.03508	3.7
144.83624	0.8
145.05061	1.0
149.02457	0.7
149.04587	5.5
149.06149	0.8
151.06142	25.4
155.03528	1.1
160.01733	1.7
161.04584	14.3
163.04031	1.9
163.15865	0.9
173.04584	0.9
174.01730	1.2
175.04033	3.1
175.06122	21.0
178.02722	2.4
179.05685	3.8
179.07057	1.0
180.83644	0.8
191.05627	1.5
192.00630	5.6
193.01428	5.4
193.04900	6.4
205.07204	4.6
217.05399	0.9
217.07152	5.0
221.06630	2.7
230.10738	0.8
253.09187	0.8
295.10361	55.7
296.10632	3.1
313.11398	19.3
313.15002	1.1
314.11658	1.0
337.01971	2.4
355.06390	6.8
355.12796	14.5
356.12753	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	355.1037
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.73526	0.6
57.17862	0.6
59.01381	7.4
61.98835	6.3
71.01390	4.1
71.68740	0.9
72.99308	2.1
73.02946	3.8
75.00870	1.9
83.01390	2.4
85.02960	5.3
87.00885	3.0
93.03456	2.3
94.03795	0.9
99.00876	1.3
101.02460	2.1
113.02473	0.8
113.99611	1.5
115.00372	6.0
121.03012	0.7
122.43954	0.6
134.03767	0.6
134.04724	6.8
135.04532	3.7
136.04840	1.4
137.02473	1.2
137.05132	1.3
148.05334	0.8
149.06067	1.9
150.05559	0.8
151.04065	0.7
161.06000	1.6
163.04016	1.0
163.07611	0.8
164.04788	1.2
173.04558	3.9
174.01715	51.2
174.04805	2.9
175.02531	4.0
175.05153	3.4
177.05528	1.2
177.36440	0.6
179.03532	3.5
179.07118	3.0
180.03867	0.9
181.04012	2.7
191.03542	0.8
191.05647	1.5
191.07201	0.8
192.00604	1.1
192.05911	1.4
193.01451	2.2
193.04947	1.8
193.06334	1.2
205.05090	1.5
209.08186	2.7
237.07631	3.2
241.03645	0.6
265.07147	7.8
295.08176	10.2
296.08475	1.3
306.82678	0.7
337.02057	2.0
355.10342	100.0
356.10703	12.7
365.40442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
56.94927	0.3
57.03454	0.5
59.01378	6.6
61.98827	2.6
65.03955	1.1
67.01884	0.5
68.99812	0.4
69.03452	0.6
71.01386	5.0
71.65579	0.3
72.40421	0.3
72.99301	1.0
73.02955	2.5
75.00865	0.3
77.03955	0.6
79.05556	0.6
81.03469	0.8
83.01385	0.7
83.40125	0.3
85.02974	2.1
87.00882	1.1
89.02465	2.3
91.05553	1.1
93.03461	2.0
95.01395	0.6
95.05013	0.6
97.02971	0.8
99.00896	5.2
99.04491	0.4
101.02470	2.6
105.03461	2.5
105.07090	1.9
107.01405	0.4
107.05042	3.8
108.02245	0.3
109.02980	1.4
111.00879	2.1
113.02469	2.0
115.05545	0.9
117.03477	1.4
117.05574	0.5
117.07110	0.4
119.01354	0.4
119.03532	0.9
119.05040	3.6
121.02972	3.7
121.06610	5.2
123.00887	0.6
123.04541	3.1
123.08179	0.4
124.01699	1.9
125.02446	2.2
131.03494	1.0
131.05052	1.9
133.02977	0.7
133.06615	15.7
134.03827	0.7
134.06944	0.8
135.04536	8.1
135.05289	0.2
137.02463	4.4
138.03241	3.6
142.94406	0.3
143.00014	0.3
143.05048	1.9
145.02975	4.8
145.05035	0.7
146.03792	2.9
147.00882	0.4
147.04500	1.1
149.02469	12.8
149.04568	0.8
149.06114	6.3
150.02965	0.8
151.04027	13.1
151.07661	3.9
152.04344	0.7
152.08023	0.4
158.03719	0.5
159.04544	8.9
160.05290	2.5
161.02487	2.0
161.06102	24.7
162.03250	6.5
162.06407	1.9
163.04031	36.8
163.06062	6.5
164.01175	1.5
164.04807	8.8
165.00677	0.4
165.01964	4.2
165.05493	0.3
166.02518	0.3
167.03543	1.1
169.01453	0.8
174.01823	0.3
175.00374	0.6
175.02469	0.9
175.04016	2.2
175.06122	1.1
176.01097	0.3
176.04730	0.3
177.02051	2.2
177.05591	10.7
178.05991	1.0
179.03651	0.6
179.05719	0.8
179.07149	17.5
180.07458	0.9
187.04022	15.9
188.04407	1.4
189.01915	0.8
190.02730	10.1
191.03448	2.3
191.05217	0.3
192.05942	0.4
193.01431	41.8
194.01817	2.8
195.03020	0.9
195.06789	0.3
203.01871	0.5
203.03542	4.5
204.04251	1.3
205.05066	47.5
206.05391	3.4
219.03012	1.5
221.04669	1.8
221.06657	0.5
223.06110	2.3
231.02986	1.8
233.00905	2.7
235.02397	1.0
237.00421	3.8
247.02457	0.8
249.04048	37.8
250.04352	2.5
261.00403	0.7
265.05624	0.4
267.04941	0.8
275.01929	1.3
291.01474	0.5
292.73984	0.3
293.03036	6.8
294.03314	0.6
311.03964	1.6
315.25531	0.3
337.02008	100.0
338.02356	9.7
355.03076	9.1
355.12613	5.6
356.03250	0.9
356.12552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85508	1.0
58.21960	1.0
58.26650	1.3
59.01383	10.2
70.82415	2.9
70.82762	1.6
71.01385	9.0
72.99316	5.4
73.02946	5.3
78.17722	1.1
83.01348	1.1
85.02959	7.7
86.71267	1.0
87.00887	3.0
89.02448	2.7
95.01379	2.7
99.00908	6.1
101.02447	5.5
105.03484	1.7
105.07100	2.1
107.05044	2.5
109.02907	1.5
111.00883	2.6
113.02467	10.8
116.16951	1.1
119.03544	1.4
119.05024	3.2
121.02975	3.7
121.06593	4.2
123.04552	2.8
124.01686	1.5
125.00950	3.6
125.02448	2.2
126.98889	26.7
127.99019	2.3
129.01971	1.6
131.03514	4.6
131.05011	1.7
133.06612	14.2
135.04509	6.2
137.02422	3.4
138.03285	3.1
143.05000	1.5
145.02975	4.9
146.03731	2.2
149.02467	8.7
149.06053	6.3
150.98917	1.4
151.04054	11.0
151.07658	3.3
151.10210	1.0
159.04544	8.9
160.05359	1.6
161.06099	21.8
162.03195	4.3
163.04025	27.8
164.01060	1.2
164.04793	8.0
165.01897	4.0
168.45209	1.2
168.99976	17.4
169.01376	2.6
170.00064	2.0
175.02551	5.9
175.03873	2.1
175.06107	1.6
177.05603	10.9
178.05861	1.2
179.05658	1.8
179.07132	12.3
184.97931	13.1
185.97952	2.1
187.03999	13.9
188.04329	2.0
190.02762	6.3
191.03479	2.7
193.01440	37.8
194.01746	1.5
202.98924	2.1
203.03517	3.2
205.05061	48.2
205.07028	2.3
206.05368	4.1
221.04562	2.3
226.98981	36.4
227.99174	6.0
231.02977	2.4
233.00934	1.3
237.00352	4.7
249.04039	34.9
250.04433	3.1
250.98920	4.3
265.05515	6.6
269.00015	77.3
270.00186	15.0
287.01038	3.5
288.00888	1.4
293.02957	6.1
294.97964	46.5
295.98166	10.1
333.10672	1.3
337.01993	100.0
338.02414	11.0
355.03067	11.1
355.08621	4.5
355.12656	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03878	0.2
50.81986	0.2
51.54029	0.2
59.01376	2.8
61.98816	0.5
67.01880	0.4
69.03460	1.6
69.76580	1.5
71.01379	0.9
73.02958	0.3
81.03458	0.3
83.05020	0.3
85.02954	7.2
86.03271	0.4
87.00871	1.5
93.03457	2.7
95.05091	0.2
97.02956	0.3
98.19868	0.4
99.00896	0.6
101.02494	0.3
109.02941	0.8
111.04512	0.9
127.04020	2.3
133.02937	0.7
135.04530	2.3
137.02437	0.3
161.02455	1.9
163.00374	0.5
171.03006	0.4
172.84512	0.2
173.04561	3.1
179.03482	2.4
185.00943	0.6
191.00017	1.2
191.05615	100.0
192.05949	5.1
193.01424	0.5
207.40181	0.2
231.40723	0.2
261.98502	0.2
288.22403	0.2
353.08801	2.6
353.12625	0.3
353.16467	0.4
354.05560	1.1
354.09525	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87389	0.6
59.01377	4.7
61.98831	13.2
66.37453	0.6
67.23162	0.6
69.03447	0.7
70.06293	2.7
70.06702	1.5
71.01394	3.2
72.99316	1.0
73.02953	2.5
73.04890	0.6
83.01377	1.0
85.02950	1.8
87.00875	1.4
89.02449	3.0
91.05560	0.9
93.03466	1.4
97.02989	0.7
98.19859	1.1
99.00901	3.1
101.02449	2.5
105.03445	1.4
105.07106	1.9
107.05032	2.9
109.02967	1.1
111.00888	1.6
113.02451	0.9
117.03502	1.4
119.05055	2.4
121.02981	2.6
121.06621	4.0
123.00990	0.8
123.04536	2.2
124.01644	1.0
125.02446	1.7
131.05048	1.3
133.02942	0.9
133.06621	11.8
134.07027	0.8
135.04547	5.6
137.02467	2.8
138.03229	2.3
143.05038	1.5
145.02989	5.6
146.03734	2.6
147.04538	1.2
149.02483	9.2
149.04483	1.1
149.06117	3.9
151.04025	9.6
151.07689	3.1
159.04541	7.5
160.05280	1.2
161.02541	1.0
161.04765	0.8
161.06096	19.2
162.03227	5.1
162.06451	0.9
163.04031	28.9
163.06070	5.7
164.01138	0.8
164.04849	7.4
165.01938	4.3
167.03548	0.9
169.01497	1.1
177.01949	1.6
177.05571	8.3
178.05954	0.8
179.07133	13.4
180.07494	1.1
187.04033	13.3
188.04555	1.3
189.01862	1.0
190.02742	6.9
191.03401	1.6
193.01430	34.2
194.01781	1.9
195.02911	0.7
203.03568	3.3
205.05075	43.3
206.05420	2.7
219.03046	1.4
221.04532	2.1
223.06078	1.8
231.02910	1.9
233.00951	2.5
237.00456	4.2
249.04047	34.0
250.04349	2.8
275.01898	0.7
293.03006	6.6
337.02020	100.0
338.02353	9.7
355.03049	8.0
355.07367	1.0
355.08063	0.8
355.12524	3.9
356.03363	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	353.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87356	0.4
51.93479	0.4
57.03433	0.7
59.01378	2.0
60.99328	0.5
61.98824	1.9
67.01891	5.1
69.03465	1.3
70.10834	1.8
71.01390	3.2
73.02913	0.5
81.03465	1.0
83.05042	1.0
85.02962	8.8
85.03439	0.8
86.22552	0.4
87.00899	2.0
92.59575	0.4
93.03468	27.8
94.03812	0.8
99.04521	0.8
107.05064	1.1
109.02961	1.6
110.83576	0.4
111.00877	0.4
111.04548	6.0
113.02464	0.6
127.04047	2.3
133.02966	1.8
134.03764	3.6
135.04543	71.7
136.04863	2.8
137.02472	5.3
149.06201	0.4
155.03517	5.4
159.94478	0.4
161.02428	3.9
171.03050	0.7
173.04570	100.0
174.04883	3.4
179.03516	69.2
180.03842	4.3
191.05630	48.4
192.06007	2.0
258.67694	0.4
296.64853	0.4
353.04385	0.9
353.08807	17.1
354.09161	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	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01378	2.3
67.01863	0.5
69.50974	3.9
69.51340	0.6
71.01381	1.7
73.02972	1.0
78.16919	0.4
83.05063	0.7
85.02955	7.2
87.00867	1.8
89.02480	0.7
91.05530	0.5
93.03471	4.8
101.02491	0.8
107.05035	1.3
109.02989	1.1
111.00911	0.9
111.04550	2.2
112.98838	0.7
113.02493	0.7
117.03490	1.2
127.04006	2.3
129.01932	0.6
130.24211	0.4
133.02975	1.5
134.03748	5.9
135.04541	60.7
136.04843	3.1
137.02449	0.9
147.06726	0.6
155.03505	1.6
159.00264	0.5
161.02458	3.4
171.02931	0.5
173.04562	6.8
179.03516	54.7
180.03819	3.9
191.05626	100.0
192.05969	5.9
353.08786	20.1
354.09082	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	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
62.68802	0.4
67.01891	0.4
71.01386	1.1
71.57583	0.4
71.57907	0.6
73.02968	0.8
73.51697	0.4
83.05077	0.5
83.84978	0.4
85.02959	6.6
87.00893	1.5
91.05556	0.9
93.03467	3.8
101.02478	0.6
107.05053	1.7
109.02961	1.0
111.04535	2.6
111.63673	0.4
112.04778	0.4
117.03400	0.6
119.10505	0.4
123.04519	0.4
127.04034	1.6
133.02965	0.9
133.95345	0.4
134.03778	5.1
135.04546	58.2
136.04877	3.3
137.02483	0.5
140.27876	0.4
152.51427	0.4
155.03563	2.0
161.02437	3.3
171.02959	0.7
173.04565	4.5
179.03514	56.7
180.03871	3.2
191.05626	100.0
192.05937	3.8
221.10165	0.6
353.08810	22.6
354.09222	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.0
60.43524	0.3
61.98830	100.0
67.01900	1.4
69.03440	0.4
69.61809	2.9
70.21686	0.3
71.01385	1.3
81.03463	0.6
83.05046	0.4
85.02954	2.4
87.00858	0.5
87.87222	0.4
93.03468	6.6
109.02999	0.6
111.04556	1.4
119.05065	0.3
127.04031	0.8
133.03033	0.7
134.03755	0.8
135.04539	19.7
137.02486	1.6
155.03539	1.5
161.02516	1.0
173.04572	28.5
174.04961	0.5
179.03514	20.2
191.05627	13.7
218.06952	0.4
233.04634	1.0
325.09558	0.4
353.08810	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	353.0879
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
59.01388	2.7
60.99314	0.8
67.01906	1.7
69.03450	0.7
70.83491	1.9
71.01372	2.6
73.28511	0.5
79.80215	0.5
81.03473	0.8
83.05067	0.7
85.02960	9.7
85.03446	1.0
87.00900	2.5
89.02466	1.1
93.03470	13.3
94.12900	0.6
99.04533	0.8
101.02487	0.6
107.05035	1.2
109.03001	1.3
111.00910	1.8
111.04507	3.8
125.69623	0.5
127.04014	2.1
133.02989	1.2
134.03754	4.7
135.04543	69.0
136.04858	3.9
137.02472	2.2
155.03510	3.4
161.02426	5.3
173.04573	44.0
174.04897	2.0
178.20532	0.6
179.03516	64.5
180.03821	3.4
191.05629	100.0
192.05931	5.0
210.76294	0.6
259.18167	0.7
283.76367	0.7
301.87872	0.6
353.08719	20.5
354.09033	2.1
365.42343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
52.46800	0.4
53.03424	0.4
59.01385	1.2
59.87483	0.4
64.39219	0.3
67.01869	0.4
70.97021	1.0
71.01385	1.0
77.68507	0.4
81.03490	0.6
83.05048	0.6
85.02961	6.8
87.00868	1.8
88.73763	0.3
91.05528	0.6
93.03470	4.0
98.48238	0.4
104.34972	0.4
107.05052	1.5
109.02975	0.4
109.68472	0.4
111.04535	2.2
116.54403	0.4
117.03480	0.7
120.43702	0.3
123.04525	0.6
127.04037	2.4
129.01971	0.4
133.02989	0.9
134.03767	5.7
135.04544	62.2
136.04897	3.6
155.03552	1.7
161.02464	3.4
162.02776	0.5
173.04581	4.1
179.03513	55.6
180.03825	3.5
185.69243	0.4
191.05623	100.0
192.05971	5.3
222.34302	0.4
286.79410	0.4
353.08780	19.6
354.09225	2.1
370.31320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28252	1.3
59.01380	45.2
61.98833	65.2
63.71561	1.2
69.61005	4.9
69.61428	7.6
71.01393	2.4
73.02946	1.5
74.56341	1.5
99.04548	1.6
207.13797	1.8
209.11783	4.5
225.14920	3.9
227.12888	28.1
269.13974	5.7
287.14993	100.0
288.15338	11.3
323.22205	1.8
350.19028	2.0
351.04837	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	351.0511
Annotation	BM 2419-2
Peak:m/z	Relative Intensity
59.01367	2.0
61.98822	0.5
71.02657	0.7
71.03029	0.8
96.96019	0.4
132.02191	0.5
167.08662	0.3
177.02060	0.4
180.05821	0.7
191.05374	0.4
194.03618	0.4
195.08200	1.2
207.08159	0.4
208.05290	1.0
213.02014	0.4
223.07637	2.0
231.58423	0.4
233.06050	0.6
235.04077	1.0
235.07608	0.4
236.04723	0.4
237.05540	0.4
239.07140	0.7
249.05608	0.4
251.03784	0.4
251.07033	1.0
254.02127	0.4
256.00156	1.4
261.05563	0.8
263.03436	1.2
263.06924	0.4
264.04156	1.8
266.02206	1.0
267.02829	0.3
267.06567	0.6
269.00885	0.8
270.98959	0.5
277.04910	0.8
279.06598	3.1
282.01678	3.5
283.02097	0.5
291.03073	1.5
292.03662	0.6
293.00980	5.6
294.01584	1.5
295.06039	0.7
306.05334	0.5
307.02521	27.2
307.05984	2.7
308.03113	7.7
308.06467	0.3
309.00473	0.3
309.03680	0.7
319.02579	0.9
321.04095	2.1
322.01260	6.3
322.04651	0.8
323.05621	71.5
324.05911	8.3
325.07422	0.4
333.04126	0.5
335.01959	6.3
336.02448	1.4
351.05112	100.0
351.21741	1.3
352.05432	12.6
368.89835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35275	0.3
50.73005	0.4
55.01869	0.4
55.96385	0.4
58.29263	0.3
59.01379	100.0
60.01712	1.0
61.98831	3.4
70.42417	0.7
70.42802	0.9
71.01387	9.7
71.05032	0.5
73.02961	2.2
83.01415	1.1
85.02955	3.6
86.97990	0.3
87.00891	0.5
89.02433	1.8
95.01382	0.7
99.00915	1.0
100.12331	0.4
101.02459	5.0
109.02985	1.0
113.02460	3.8
119.03561	0.6
123.04581	1.2
127.07684	0.9
133.03000	4.1
143.03525	0.4
147.06694	1.1
150.03094	0.4
153.05626	1.5
159.03067	1.4
161.04573	13.1
161.05832	0.7
162.04965	0.7
165.84035	0.4
171.06688	0.6
173.04639	2.0
177.01941	2.0
179.05629	0.4
183.64545	0.3
201.15564	0.4
205.03459	0.4
291.10995	1.5
315.10989	0.7
334.50659	0.4
351.13116	2.3
351.16830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2384
Annotation	5-cis Carbaprostacyclin
Peak:m/z	Relative Intensity
57.03442	0.5
59.01376	0.6
61.98839	0.3
69.06406	0.3
69.45756	2.4
71.05025	5.9
83.05025	1.8
85.06612	0.4
90.71197	0.2
97.06601	0.3
97.85935	0.2
113.57201	0.2
130.70389	0.2
137.09740	2.3
139.11320	1.1
149.09755	3.2
155.06241	0.2
179.51205	0.2
188.92722	0.2
217.15924	0.3
219.17569	0.5
228.89638	0.2
242.13104	0.5
249.22255	0.3
253.16115	0.5
271.17053	2.3
273.18582	0.4
275.20245	0.2
287.20142	8.8
288.20529	1.0
289.21716	8.3
289.24988	0.3
290.21899	1.1
303.23294	0.7
305.21323	1.3
305.24823	12.9
306.25052	1.3
319.22797	0.3
331.19315	0.4
331.22723	1.6
349.20148	10.6
349.23846	100.0
350.20477	1.1
350.24185	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	348.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05638	0.2
55.01859	0.3
57.03440	0.3
59.01381	3.4
61.98833	100.0
62.53750	0.3
71.01386	2.7
71.19373	0.5
73.02953	0.7
85.02978	1.1
89.02466	1.1
99.00876	0.3
101.02465	1.5
113.02491	1.1
128.18307	0.3
134.31827	0.3
153.05630	0.4
157.00056	0.3
159.30948	0.3
161.04623	1.2
162.27774	0.3
172.01219	0.3
174.01772	0.9
191.09863	0.3
215.97995	0.3
233.09373	0.4
245.04770	0.5
349.11392	0.6
349.15109	0.7
349.18857	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	348.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72744	0.3
59.01384	0.4
61.98832	100.0
62.98573	0.4
63.99270	0.7
71.19469	0.6
91.84877	0.3
119.32344	0.3
136.58382	0.3
143.49200	0.3
162.98495	1.8
164.96332	0.3
204.00031	1.1
205.00166	3.3
205.99744	5.0
206.97459	57.4
207.97580	5.2
216.23428	0.3
239.77309	0.3
248.89804	0.3
348.98495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01885	3.1
57.03446	3.5
58.00607	4.2
59.01380	100.0
60.01712	1.2
60.59151	0.7
61.98830	2.1
69.03461	1.9
69.53481	1.9
69.53912	3.9
71.01387	86.9
72.01717	1.6
72.99303	4.6
73.02951	10.5
73.04070	1.1
75.00852	0.9
82.03014	0.7
83.01398	5.6
84.71857	0.7
85.02957	21.6
87.00877	4.9
87.04539	1.0
89.02456	63.6
90.02807	1.5
95.01397	5.9
96.04541	0.6
97.02974	1.5
98.02467	0.8
99.00890	4.2
99.04543	1.0
101.02457	55.3
102.02784	1.1
102.98602	1.9
109.02960	0.8
109.06590	0.7
112.04034	0.6
113.02464	35.3
114.02803	1.8
119.03517	32.1
120.03836	1.2
120.99677	1.3
125.02468	2.8
128.03513	0.7
131.03520	2.4
139.05156	1.5
143.03523	8.0
149.04588	2.2
155.04680	1.0
159.02995	2.6
161.04584	22.0
164.07140	1.7
169.08792	0.7
179.05627	12.1
184.02580	0.8
187.13409	13.3
201.11374	0.7
221.04610	2.2
229.70166	0.6
233.09343	0.9
243.11464	0.8
287.10471	1.7
303.09808	2.2
311.07690	2.1
331.09201	1.7
349.10699	4.5
349.15070	3.3
349.18677	81.0
350.19070	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	345.1556
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
55.01892	0.8
57.03440	1.2
58.00588	1.6
59.01382	44.8
60.01706	1.2
61.98817	1.9
63.61349	0.7
71.01385	27.8
71.36536	0.7
71.67634	0.8
72.99317	5.7
73.02950	1.8
75.00871	0.9
81.17215	0.7
83.01399	2.6
84.02187	0.9
85.02963	6.0
85.73261	0.7
87.00865	1.2
89.02452	25.6
95.01398	2.4
101.02460	17.4
113.02466	10.2
119.03529	10.8
119.05048	1.7
119.08681	0.9
120.99667	2.2
121.10246	35.2
122.03773	0.7
122.10624	0.7
123.00868	1.6
131.03571	0.8
137.09726	7.5
142.83714	0.7
143.03499	1.1
151.04012	1.0
161.04573	1.1
165.09225	57.3
166.09578	3.6
169.01486	1.0
177.01978	0.8
179.05637	1.5
183.10277	33.2
184.10593	2.7
221.09770	1.4
225.11369	0.7
243.12601	0.8
301.00027	1.1
302.10596	0.9
309.20078	0.6
326.97739	1.4
345.10464	7.7
345.15561	100.0
345.61151	1.3
346.11807	1.3
346.15878	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	345.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47960	0.4
57.03461	0.5
59.01381	100.0
60.01720	1.5
61.98830	1.2
67.93239	0.3
71.01359	0.3
71.72678	0.6
89.72645	0.4
157.12344	0.5
167.07187	0.4
182.99426	0.4
211.13409	8.3
212.13651	0.7
227.16945	0.4
285.17300	0.9
300.99966	1.1
344.98538	0.4
345.13553	0.8
345.22830	1.0
345.26450	0.7
345.30167	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	345.2285
Annotation	oscr#20
Peak:m/z	Relative Intensity
55.21064	0.4
57.03436	1.6
58.00595	0.6
59.01379	2.1
61.98827	0.7
69.59815	0.3
71.73011	0.7
75.00871	0.5
83.05032	0.7
85.06564	0.4
97.06599	1.0
111.08173	0.5
125.09711	2.2
127.11282	1.3
137.09734	0.7
139.11304	1.8
149.06076	0.5
151.05095	0.4
155.10764	1.0
171.10226	1.3
183.10242	0.5
201.11327	0.7
229.14505	0.7
247.20633	10.0
248.20972	0.9
253.21733	0.6
265.21710	7.1
266.22070	0.8
273.18582	0.7
281.21030	0.5
283.22794	1.4
291.19669	4.6
292.19998	0.6
301.00003	1.2
309.20706	13.2
310.21146	1.7
326.97708	0.7
327.21768	17.4
327.25693	0.9
328.22250	1.8
345.22827	100.0
346.23178	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	347.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64868	1.0
58.00588	2.2
59.01382	49.5
60.01740	1.0
61.98846	1.5
69.40855	8.6
71.01389	35.3
72.01711	1.1
72.99337	2.9
73.02988	1.3
74.99142	0.8
79.91102	0.8
83.01410	1.7
85.02996	3.9
87.00892	1.1
89.02458	33.3
89.02969	1.9
95.03167	0.9
98.20585	1.7
101.02456	4.5
107.08738	1.0
109.61691	0.8
110.06194	2.9
111.00877	0.9
112.79359	0.9
113.02469	4.7
116.05119	1.0
119.03602	1.2
120.99702	1.6
122.06143	5.0
123.00925	1.8
123.04544	1.2
125.02495	1.3
131.03583	3.1
132.82124	0.9
135.08183	4.9
139.00461	2.7
144.04662	2.0
149.04662	4.1
150.05698	1.1
153.09235	52.1
154.09645	3.6
162.05652	3.2
169.01558	1.3
171.10416	1.2
177.09386	1.2
182.33884	1.0
197.08211	100.0
198.08592	6.4
215.09328	2.3
273.12592	1.3
285.12408	7.2
303.13531	7.3
317.10733	1.1
329.11960	2.0
332.09167	1.7
347.13644	42.0
347.17166	2.6
348.14258	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	347.2227
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.00503	0.3
54.74417	0.3
55.50727	0.3
57.03434	0.5
59.01384	2.1
61.98817	0.5
68.99825	0.5
71.05031	6.2
74.03726	0.3
74.86292	0.3
83.05020	1.5
84.52425	0.3
85.06587	1.4
88.26297	0.3
92.46387	0.4
97.06602	2.9
109.06622	0.6
121.06616	0.5
137.09740	5.9
147.08138	0.4
149.09741	0.9
181.16055	0.8
203.14410	0.6
219.17564	3.5
231.17575	0.4
261.18515	0.4
271.16916	0.7
285.18552	0.4
287.20169	13.6
288.20523	1.7
303.23294	12.3
304.23572	1.5
329.21332	1.3
347.22284	100.0
348.22610	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	345.1556
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
54.93854	0.9
57.03457	1.5
58.00579	3.6
59.01381	100.0
61.98814	4.0
69.51135	6.4
69.51553	1.7
71.01387	58.7
72.99327	4.9
73.02959	1.6
83.01383	3.1
85.02953	10.4
87.00870	3.3
89.02457	61.4
95.01403	4.5
99.00896	1.4
99.04571	1.2
101.02460	37.6
106.06652	2.1
113.02464	21.0
114.02795	1.1
119.03524	28.9
119.05000	1.2
120.03854	0.9
120.99644	1.4
121.02987	3.3
123.04578	1.2
124.07719	1.4
125.02476	1.5
131.03517	2.9
132.04585	14.2
133.05406	5.2
134.06181	1.6
135.04530	1.3
137.02437	2.7
139.11302	4.2
143.03516	3.8
149.04579	2.3
149.06084	0.9
161.04579	2.4
162.03030	0.9
165.04303	7.4
177.04311	1.2
179.05615	4.3
179.07021	1.3
181.12434	1.7
183.10286	3.9
186.09279	1.5
200.04897	0.9
209.03410	1.2
212.04796	2.3
214.12358	2.0
215.11949	1.6
225.11261	1.8
227.03549	1.8
228.04300	3.5
231.10223	1.5
243.10284	0.8
243.12425	13.3
256.03818	5.9
257.12900	10.7
259.09665	1.1
265.08652	1.1
267.06622	2.5
269.08173	2.5
271.09668	3.2
283.10977	1.2
285.13480	6.2
287.09161	1.8
297.07712	3.9
299.09225	1.1
300.10062	2.4
300.99991	7.2
301.03107	1.6
301.08621	1.4
301.11902	7.8
311.09018	1.8
312.10028	2.7
315.08679	4.5
315.12314	4.5
326.97705	2.3
327.12436	4.2
330.11145	9.9
344.98880	3.2
345.10706	14.7
345.15323	26.1
345.22443	1.8
346.10419	1.6
346.16229	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	345.1093
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
53.08577	0.7
53.37866	0.7
59.01384	5.4
61.98821	2.1
65.00382	0.9
69.64256	5.8
69.64570	0.6
70.63843	0.7
71.01378	2.0
72.99320	3.5
84.04544	0.9
85.02962	1.1
87.00893	1.0
89.02438	1.5
94.03003	0.7
95.03751	2.0
101.02443	1.3
104.05035	1.6
106.06608	4.5
111.00915	0.8
120.99673	23.1
121.02979	2.2
122.00008	0.7
122.06129	3.7
124.03979	0.7
124.07716	5.1
132.04573	32.0
133.05376	17.7
134.03723	1.4
134.06183	5.8
135.04541	1.2
137.02382	1.3
138.05661	1.1
139.65982	0.7
146.03693	1.4
148.04036	2.2
149.06041	2.0
150.05577	1.7
150.09105	1.0
160.11874	0.9
164.04742	0.9
165.04343	22.7
166.04649	1.2
166.06339	0.8
167.07158	3.9
176.03554	1.1
176.07227	0.7
176.61423	0.7
177.04311	3.5
178.04961	1.9
179.07098	2.5
179.08981	1.1
183.10181	1.7
186.09224	2.5
187.08778	0.7
195.10266	1.8
198.09251	1.1
209.03334	3.8
213.06616	2.0
214.12317	6.0
215.11946	6.6
221.09653	3.3
222.07790	0.8
223.07988	1.5
226.07486	0.8
229.09819	3.9
237.09200	1.3
240.10356	1.1
241.09802	2.8
243.12326	1.1
255.11275	1.3
256.03741	1.5
257.12949	22.4
258.13205	1.9
265.08987	0.6
283.10873	7.1
300.99875	4.1
301.11957	17.2
302.00107	0.8
302.12360	1.3
315.08444	1.4
326.97794	2.1
327.09225	2.6
330.10907	3.0
344.99152	1.5
345.10785	100.0
346.11133	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	345.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.1
60.01709	0.4
60.73258	0.3
60.82065	0.3
62.42370	0.3
71.01396	1.8
81.06675	0.3
87.00876	0.4
87.37132	0.3
89.02473	0.4
93.03464	5.8
95.07014	0.3
97.02928	0.3
111.00919	0.4
119.05022	1.4
121.02972	26.7
122.03318	1.1
123.04540	100.0
124.01694	0.4
124.04877	4.3
130.53557	0.3
135.04568	1.7
138.03293	0.9
139.00395	0.6
139.04001	1.7
161.06116	0.4
163.04018	1.7
164.01144	0.9
165.01936	0.4
166.99854	0.4
168.00632	1.0
173.04607	0.7
179.03528	1.8
180.03954	0.3
182.02235	3.3
183.03004	10.0
191.05673	1.3
220.30806	0.3
255.10196	0.4
258.06387	0.6
285.09622	1.6
301.00137	0.4
311.19452	0.3
326.97873	0.6
345.08151	7.4
346.08667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89234	0.3
58.00590	0.4
59.01377	3.7
69.76581	2.2
71.01388	2.8
72.00878	0.6
72.99313	4.2
73.99621	0.7
74.99091	0.5
85.02927	1.4
87.00874	0.7
89.02451	2.2
93.03482	1.7
95.01367	0.4
95.21117	0.4
98.20625	0.6
101.02414	1.0
109.02910	0.6
111.00857	0.4
111.04518	0.4
113.02452	1.0
115.00364	1.0
117.03442	1.3
118.98063	0.5
119.03486	0.6
119.05019	1.2
120.99653	1.1
121.02960	0.6
122.06118	0.6
123.04494	0.4
125.02483	0.4
129.03473	1.2
130.08679	0.6
131.01402	0.7
133.02966	0.7
135.04515	1.4
135.98325	0.5
137.02444	0.7
139.00319	0.5
143.01424	0.6
145.02988	3.9
147.00839	1.1
147.04480	0.9
157.02931	1.6
159.00845	0.4
161.02373	0.7
161.04507	0.6
161.09712	0.5
163.04037	2.5
163.07544	0.4
164.03493	0.6
165.05646	0.3
166.31230	0.4
167.03513	0.7
171.00916	4.8
172.01448	0.4
173.02448	4.5
173.04579	3.1
179.03490	1.0
180.07829	0.4
181.08643	0.6
183.02963	1.5
183.09222	0.5
184.01759	0.4
185.02451	4.9
187.00334	1.6
189.01909	0.9
191.03787	0.7
191.05614	4.7
196.08482	0.9
197.04602	0.8
198.98860	0.4
199.00436	4.1
200.01028	1.0
201.01944	5.2
202.02373	0.7
204.06703	0.7
208.92664	0.4
209.09590	0.4
210.09967	0.7
211.00417	0.7
213.01965	0.7
214.99875	5.1
216.00281	0.6
217.01404	1.7
221.09737	0.5
222.10045	3.1
226.06462	0.5
226.99861	6.3
227.07149	2.5
228.00494	1.2
229.01422	6.4
238.99916	0.6
240.00443	0.5
240.07245	0.6
242.99353	8.8
243.99927	1.3
245.00841	3.1
253.08603	0.5
254.99348	2.9
255.10233	0.5
255.99940	0.5
257.00870	3.0
258.06296	0.5
266.08981	1.1
270.98825	22.2
271.99225	2.1
282.98929	1.7
283.11688	0.7
283.99597	6.0
285.00003	0.8
298.98346	9.1
299.99045	6.1
300.99899	100.0
302.00275	8.7
326.97833	58.9
327.10532	4.7
327.98193	7.1
328.10684	0.5
343.08023	0.3
344.98898	41.3
345.11887	7.2
345.15701	0.7
345.99310	4.7
346.11942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.083
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.03484	0.1
59.01388	1.2
60.01683	0.2
61.98826	0.2
65.00355	0.3
67.01906	0.4
71.01389	0.8
71.72523	0.4
72.99314	0.4
83.01393	0.5
83.93633	0.2
85.02972	0.5
87.00906	0.3
89.02415	0.2
93.03474	0.7
95.01419	0.2
97.02984	0.2
99.00877	0.3
101.02487	0.2
107.01387	0.2
109.69193	0.1
110.00165	0.3
111.00910	2.1
111.04520	0.3
113.02571	0.2
119.05045	0.7
120.99663	0.3
121.02998	0.9
123.00895	3.0
123.04551	0.2
124.01657	1.2
125.02450	0.3
127.00397	0.7
128.51698	0.2
132.60464	0.2
135.04562	1.0
136.98814	0.9
137.02492	0.3
138.03220	0.3
138.05679	0.3
139.00406	2.2
139.04091	0.5
140.01192	3.0
141.01933	0.4
151.00380	0.3
153.02103	0.3
153.05614	0.6
153.18228	0.2
154.99907	0.3
155.03563	0.3
163.04041	0.5
164.01111	0.3
165.05618	0.2
166.99875	2.9
168.00665	5.6
169.01271	0.3
173.04594	1.3
179.03558	0.6
181.01418	0.3
182.02235	9.3
183.03004	100.0
184.03351	4.9
185.02533	0.2
191.05638	0.7
197.04594	1.9
225.04044	0.2
242.99341	0.3
255.10237	0.3
270.98785	0.5
283.99612	0.3
299.99017	0.2
300.99945	2.9
302.00137	0.3
326.97849	1.4
327.97961	0.2
344.99628	1.3
345.08261	40.5
346.04742	0.4
346.08615	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	343.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	88.9
60.01704	1.1
61.98832	1.6
66.56236	0.7
71.69477	1.2
71.69877	1.1
107.01433	1.2
116.32754	0.9
142.96703	0.8
148.35402	1.0
177.41537	0.9
195.95976	0.8
215.28880	1.0
226.00948	0.9
254.53429	0.9
258.66910	1.0
265.25461	1.3
267.23355	1.1
283.26257	5.3
343.28540	100.0
344.28851	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	344.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.4
59.01377	36.5
60.01720	1.6
61.01814	0.5
61.98831	100.0
69.41766	2.4
69.42183	1.1
71.01388	6.3
71.25024	0.3
72.01717	0.5
72.99323	1.3
73.02954	0.6
78.95932	0.6
80.46791	0.4
85.01234	0.3
85.02934	1.8
87.00887	1.0
89.02454	7.5
89.37034	0.3
90.02802	0.6
93.03516	0.8
95.01413	1.0
101.02461	3.7
111.00859	0.6
113.02440	2.5
114.02811	0.4
119.03536	2.7
119.05028	5.4
120.04583	0.8
120.05380	0.8
121.02969	0.9
123.00914	0.6
125.02482	1.4
126.98875	0.5
130.08757	0.9
131.02032	0.4
135.04565	2.2
136.04111	0.8
138.05652	1.0
139.00407	0.9
139.04060	0.8
143.03494	0.5
146.03775	0.6
147.04543	5.2
157.03589	0.9
158.03835	0.6
159.01538	1.1
159.03108	0.5
161.01309	0.4
161.04532	0.4
164.03473	2.4
164.07199	0.6
165.01981	0.5
165.05635	0.9
168.00732	0.5
168.99977	1.0
169.01472	1.7
170.01788	1.1
175.02811	0.4
176.00488	1.8
179.05647	1.2
182.05380	0.4
183.03050	1.0
191.05614	5.9
192.05974	4.6
193.06104	0.9
199.01012	0.5
201.00914	0.6
201.02562	17.5
201.98538	2.0
202.02745	11.6
203.02336	6.4
221.09738	0.9
240.07353	1.5
300.11096	0.5
300.99963	0.4
326.10388	0.4
327.10782	0.6
344.03455	1.0
344.09991	3.7
345.03497	0.5
345.08063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2491
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.14307	1.0
57.03463	1.1
59.01371	4.4
61.98833	2.4
65.00345	1.3
69.67584	8.3
78.95918	1.4
83.67966	1.0
98.45616	1.1
121.03016	1.5
121.10223	8.5
127.11302	2.8
136.01653	11.4
137.02420	1.2
137.09756	2.4
139.11273	1.2
151.04039	14.0
165.09152	1.5
171.10284	59.4
172.10603	3.5
175.07584	2.1
209.73650	1.2
271.22867	1.3
299.22141	1.6
325.14563	1.2
343.15942	7.3
343.21567	3.7
343.24905	100.0
344.25317	11.3
353.05460	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	343.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14307	1.0
57.03463	1.1
59.01371	4.4
61.98833	2.4
65.00345	1.3
69.67584	8.3
78.95918	1.4
83.67966	1.0
98.45616	1.1
121.03016	1.5
121.10223	8.5
127.11302	2.8
136.01653	11.4
137.02420	1.2
137.09756	2.4
139.11273	1.2
151.04039	14.0
165.09152	1.5
171.10284	59.4
172.10603	3.5
175.07584	2.1
209.73650	1.2
271.22867	1.3
299.22141	1.6
325.14563	1.2
343.15942	7.3
343.21567	3.7
343.24905	100.0
344.25317	11.3
353.05460	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	343.285
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
52.89655	0.4
52.97318	0.5
59.01380	97.7
60.01722	1.2
62.61554	0.5
65.70761	0.4
71.74719	0.7
86.32112	0.5
99.39829	0.5
114.84410	0.5
121.03004	0.5
128.89496	0.4
146.53870	0.5
146.72386	0.4
146.95647	0.5
154.56314	0.4
221.28444	0.5
244.63341	0.5
271.22842	3.3
281.24805	1.3
283.26379	5.2
284.26736	0.7
343.28537	100.0
344.28860	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	343.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24394	0.7
54.40769	0.7
59.01380	98.9
60.01715	1.6
61.98795	1.5
63.02144	0.8
69.62434	6.8
98.19896	1.8
107.80364	0.7
195.98108	1.0
274.05475	0.8
281.24789	2.2
283.26495	8.0
284.26749	1.1
336.44235	0.8
343.28549	100.0
344.28848	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03439	0.4
59.01380	3.1
61.98830	0.7
64.13281	0.3
64.81333	0.3
65.62097	0.4
66.43482	0.3
69.03447	0.7
71.14641	1.1
83.05022	0.7
95.05054	0.4
97.06600	0.6
98.19885	0.4
99.08160	4.9
100.01197	0.4
111.08195	0.4
113.09764	0.4
121.02966	0.5
121.10250	5.0
122.10677	0.5
123.00923	0.4
125.09738	1.4
127.11311	1.2
137.09734	1.2
139.11311	1.2
149.13344	0.6
151.11284	0.4
165.13051	0.4
171.10289	31.9
172.10596	1.2
193.12361	8.3
194.12692	0.4
197.15450	0.5
211.13402	2.0
225.14952	11.6
226.15388	1.1
243.15981	3.8
263.31070	0.4
293.21140	2.6
343.24902	100.0
344.25223	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	343.1038
Annotation	Hygrophiloside
Peak:m/z	Relative Intensity
52.49226	0.5
57.03438	0.6
58.00591	1.4
59.01382	29.1
60.59426	0.5
61.98822	1.9
70.04959	2.4
71.01390	18.2
72.99309	1.9
73.02963	1.1
75.00890	2.6
77.97424	0.5
83.01390	0.9
85.02967	4.4
87.00901	0.9
89.02456	17.5
90.02862	0.5
90.24351	0.5
93.03474	2.2
95.01418	1.7
99.00919	0.6
101.02458	9.9
104.19865	0.4
105.74866	0.4
107.01438	0.6
109.02940	1.0
113.02457	7.5
114.02824	0.6
119.03543	7.2
119.05046	77.9
120.05412	3.7
121.02960	1.5
123.00903	1.0
124.01576	0.5
125.02469	3.2
131.03517	0.9
135.04547	1.5
137.02495	1.4
137.06126	0.6
143.03490	1.2
151.00401	0.6
163.04034	100.0
164.04391	5.3
167.03532	0.8
169.01454	4.0
173.04590	0.9
179.05673	0.7
181.01558	0.9
181.05103	4.8
181.08502	0.7
191.05629	2.0
221.64087	0.5
232.86703	0.5
237.06158	1.0
277.03671	0.7
305.06927	2.5
343.06653	2.6
343.10464	11.6
344.11069	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03448	5.3
59.01372	2.8
61.98834	0.9
69.51928	6.3
71.01396	1.4
78.95911	1.5
83.05035	1.4
90.85421	0.8
93.04021	0.6
95.05048	1.0
97.06605	14.7
99.69781	0.6
120.05048	0.8
123.08194	7.7
125.09740	91.6
126.10068	3.7
127.11316	1.8
139.11259	0.8
143.10814	1.4
155.10814	1.6
169.08739	1.6
173.11841	37.5
174.12183	2.7
187.08057	0.9
187.09767	17.4
188.10158	0.9
192.64363	0.6
197.11841	1.1
201.11261	1.3
212.27794	0.7
234.29906	0.6
271.22760	5.1
281.21283	5.6
281.24115	1.2
325.20294	7.7
325.40268	0.7
343.21255	100.0
343.24725	4.1
344.21619	12.6
344.25613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0672
Annotation	Theogallin
Peak:m/z	Relative Intensity
53.83237	0.3
59.01377	2.1
61.22374	0.3
67.01888	1.5
69.03465	1.6
71.01382	1.5
71.45017	0.5
81.03460	1.4
83.05029	1.0
85.02952	4.2
87.00879	0.8
89.02457	0.6
89.51136	0.3
93.03470	10.0
94.03798	0.5
95.01426	0.5
97.02962	0.9
99.04533	0.8
107.01405	6.7
109.02997	0.5
111.00928	0.6
111.04534	3.6
113.02428	0.8
119.05022	0.4
125.02464	43.6
126.02817	2.0
127.04017	1.3
137.02464	2.7
141.02022	0.4
143.03517	0.5
151.90541	0.4
153.47902	0.4
155.03522	2.1
163.04036	0.8
169.01443	100.0
170.01781	4.0
171.03215	0.3
173.04568	23.3
174.04973	0.9
191.05618	21.3
192.05954	1.0
204.82622	0.4
343.06711	27.5
344.07089	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	343.1037
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
54.95712	0.5
57.03460	1.6
58.00578	1.0
59.01381	26.6
61.98834	2.3
69.03477	0.7
69.96406	3.0
71.01388	16.1
72.99322	4.0
73.02949	1.2
75.00876	7.9
83.01382	1.9
84.51186	0.5
85.02962	3.7
87.00892	1.7
89.02457	9.7
92.12251	0.6
93.03468	4.7
95.01400	2.3
97.02973	0.6
101.02456	8.3
107.01400	0.7
107.05039	1.2
107.07393	0.6
109.02959	3.1
110.03355	0.6
111.00873	1.0
111.04585	0.8
113.02466	5.2
119.03558	4.1
119.05047	100.0
120.05373	4.4
121.02962	2.7
123.00919	1.8
124.01682	0.7
125.02476	13.3
126.02887	0.7
135.04556	10.7
136.04846	0.5
137.02463	5.9
137.06100	3.1
138.01976	0.8
138.03104	0.6
139.04024	4.3
149.02455	0.6
151.04048	1.7
153.01971	1.1
155.03557	0.6
163.04034	96.4
164.01180	1.1
164.04433	4.7
165.01947	3.7
166.02684	0.9
167.03522	2.4
169.01483	4.2
173.04568	0.8
177.05556	1.1
179.03506	2.9
180.00648	0.8
181.01514	3.7
181.05083	29.8
182.05434	1.4
191.05597	4.0
202.99895	0.8
219.06599	2.1
221.04541	0.7
223.06084	1.6
235.06108	0.6
237.06085	4.6
243.18811	0.6
255.10258	0.7
263.31378	0.6
277.50024	0.6
305.06683	16.7
306.06885	0.9
307.07111	1.0
343.06946	4.7
343.10364	91.3
344.06686	0.8
344.10666	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	343.1035
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
50.44367	0.2
59.01376	12.3
61.98825	0.2
65.72567	0.3
65.75042	0.3
70.41544	0.9
71.01388	1.1
72.99315	0.6
81.03463	0.6
85.02941	0.4
89.02464	0.7
93.03466	0.7
95.05053	0.8
101.02444	0.7
107.05061	0.5
109.02969	5.2
109.06602	3.0
119.05046	4.2
120.99689	0.3
121.02972	5.8
122.03757	0.9
125.02470	0.4
127.45831	0.2
135.04547	3.9
136.05328	0.5
136.83900	0.3
137.02480	0.8
137.06102	24.3
138.06401	1.2
139.04013	0.3
165.01970	0.3
166.02736	12.2
167.03081	0.4
169.01445	0.4
178.96780	0.2
180.04199	1.2
180.70648	0.3
181.05078	100.0
182.05417	5.6
191.05733	0.5
211.73663	0.3
227.07068	0.3
255.10263	0.6
326.10147	0.4
338.94989	0.3
343.10333	17.0
344.10980	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	343.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64458	0.2
59.01381	83.4
60.01723	0.9
61.98837	0.7
69.84820	0.1
69.98055	1.0
78.51202	0.2
81.64790	0.1
88.10590	0.1
98.19866	0.2
100.87101	0.2
113.04640	0.2
115.02540	0.5
117.00494	0.5
121.63808	0.2
157.03583	5.4
158.03766	0.4
159.01506	4.6
160.01654	0.4
192.04686	0.1
198.91994	0.2
201.02568	100.0
201.89417	0.4
202.02727	9.2
206.10818	0.2
206.97374	0.2
208.66791	0.1
343.03726	3.1
344.03900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0462
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
50.98032	0.3
52.59292	0.3
59.01368	0.9
61.00684	0.3
64.90394	0.3
66.21423	0.4
89.96923	0.4
98.19814	0.7
108.30412	0.4
130.00610	0.8
146.00073	0.6
155.10626	0.4
158.00122	0.4
160.36288	0.4
164.14534	0.4
165.90446	0.3
173.99472	0.4
185.99568	0.6
191.05409	0.4
197.99576	1.5
209.11801	1.1
213.99232	0.6
241.98547	1.6
254.99344	2.2
257.00861	2.7
269.00784	0.5
269.98038	34.2
270.98337	2.5
271.02554	0.4
282.98935	0.8
283.99561	0.5
285.00409	16.4
286.00690	1.4
291.64413	0.4
297.00305	0.5
297.97546	66.2
298.97974	4.4
308.41144	0.4
312.99899	100.0
314.00244	7.5
327.01483	0.8
328.02240	88.8
329.02557	8.5
329.06100	0.7
343.04599	61.8
343.21246	2.0
343.24747	0.8
344.04919	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	343.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	0.4
59.01377	4.7
61.98837	2.1
65.96453	0.3
67.01891	1.5
69.03443	1.5
69.75675	1.7
71.01385	2.9
72.99306	0.3
81.03483	0.9
83.05058	0.5
85.02958	5.8
87.00894	1.4
89.02456	1.5
93.03468	11.4
95.01385	0.5
97.02969	0.9
99.04543	0.8
101.02448	0.8
107.01401	6.6
109.02971	1.1
111.00909	0.9
111.04535	2.7
113.02481	1.0
119.05051	2.1
121.02951	0.4
123.00906	0.4
123.04478	0.3
125.02464	47.2
126.02789	1.3
127.04031	0.9
135.04572	0.5
136.01653	0.4
137.02481	3.3
143.03522	0.6
155.03488	2.4
163.04047	1.3
164.03574	0.4
168.00598	0.4
169.01443	100.0
170.01772	4.3
171.02910	0.5
173.04576	24.0
174.04916	1.0
179.05566	0.4
181.05064	1.2
191.05629	33.9
192.06013	1.6
201.02599	1.5
211.02406	0.4
253.01888	0.3
299.11017	0.4
305.06488	0.4
307.56253	0.3
325.05688	0.4
343.06705	30.8
343.10498	1.7
344.06992	3.5
344.10785	0.6
365.11990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2699
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
55.25277	0.4
57.03454	0.8
59.01376	2.9
69.68450	3.3
71.01389	1.0
79.78003	0.6
89.02454	1.2
89.14556	0.4
91.92683	0.4
93.09362	0.4
95.79857	0.4
95.91328	0.4
102.93279	0.4
119.03510	0.7
140.88383	0.4
185.00778	0.4
277.25565	0.5
279.26935	62.4
280.27283	6.9
297.28046	1.5
323.25937	19.2
324.26221	2.2
341.26968	100.0
342.27286	11.4
357.82907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3062
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
57.03449	0.6
59.01376	2.0
66.57120	0.5
69.03461	0.6
69.57009	0.6
71.01395	1.3
71.05022	22.9
73.02969	1.2
73.39772	0.6
83.05023	1.5
89.02464	0.7
101.02387	0.6
140.62953	0.6
179.05519	0.7
185.00766	1.0
220.18883	0.5
227.20193	0.8
235.44638	0.7
267.26990	2.7
281.28479	27.1
282.28867	3.9
305.28549	0.7
307.26440	0.8
323.29562	12.5
324.30002	2.0
341.19604	2.1
341.30597	100.0
342.30930	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	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01377	8.1
61.98837	0.8
69.03452	2.1
71.01392	4.3
71.46327	0.7
71.46642	0.4
76.75298	0.4
79.64190	0.5
83.05039	1.5
84.02162	1.3
85.02968	1.0
87.00877	0.6
89.02460	5.1
95.05006	0.5
95.94903	0.4
97.06026	0.8
97.06607	11.7
99.04532	0.9
101.02463	2.3
113.02462	1.6
119.03498	1.1
119.05022	0.5
125.02471	0.6
125.09727	2.4
127.11269	1.4
137.09735	1.0
143.03465	0.7
147.08176	0.4
149.13367	0.8
153.09224	0.5
161.04517	0.8
165.12892	1.0
171.10274	6.3
172.10678	0.5
175.11302	1.3
179.05647	2.0
185.11832	0.7
193.12334	15.9
194.12680	1.0
197.15503	0.6
211.13461	3.4
211.16959	0.4
213.18599	1.7
221.11826	1.3
223.16942	0.5
225.14970	21.1
226.15324	1.7
238.12274	0.5
243.15988	10.3
244.16422	0.5
251.16437	0.6
253.14462	1.1
271.18158	0.5
283.09647	0.9
291.19589	0.7
297.28067	0.7
311.09189	0.7
323.22278	1.0
341.06644	1.9
341.10941	2.2
341.23343	100.0
342.23642	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77628	0.3
51.54415	0.2
55.04259	0.2
56.07449	0.2
57.03447	0.7
58.00578	0.3
58.01118	0.3
59.01376	4.5
61.98813	0.3
62.86431	0.2
69.03451	2.6
71.01379	2.6
71.04116	0.4
81.03443	0.5
83.05022	1.5
84.02177	3.4
85.02934	0.7
89.02450	2.3
95.05036	0.6
97.02956	1.0
97.06602	11.0
98.06958	0.4
98.42455	0.2
99.04528	1.0
101.02461	0.7
109.06590	0.3
111.08192	0.7
113.02437	0.8
115.81392	0.3
119.03513	0.9
119.08671	0.5
121.10225	0.4
123.08158	0.3
125.09734	1.4
130.08760	0.4
132.70920	0.3
135.04424	0.3
135.08139	0.3
136.84673	0.2
137.09731	1.0
149.04666	0.3
149.13326	0.6
151.11310	0.7
163.11264	0.4
165.12857	1.0
171.10289	12.5
172.10620	0.6
175.11299	0.9
177.12849	0.3
179.05621	1.0
183.13841	0.4
185.11902	0.7
193.12341	15.1
194.12704	0.9
197.15424	0.6
203.10715	0.4
203.50540	0.3
211.13406	2.9
221.11794	1.1
225.14963	19.2
226.15334	1.2
243.16003	7.8
244.16382	0.4
253.14488	1.2
257.92911	0.3
266.76019	0.3
272.16269	0.3
291.19675	1.3
305.21210	0.6
323.22330	0.7
326.11496	0.4
341.23331	100.0
342.23666	12.3
342.27896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
57.03442	0.8
58.00594	3.9
59.01381	100.0
60.01719	1.2
60.36361	0.5
71.01387	68.6
72.01724	1.5
72.99305	3.5
73.02942	2.8
76.62944	0.4
83.01405	1.4
85.02959	10.9
87.00886	3.8
89.02456	78.5
90.02801	1.5
95.01419	3.9
97.02953	0.7
99.00923	0.9
101.02458	29.5
102.02824	1.1
107.03477	0.6
107.45731	0.5
107.64886	0.5
113.02465	25.4
114.02795	0.6
119.03522	28.6
120.03873	0.8
125.02479	1.2
129.94618	0.6
131.03514	5.0
143.03520	7.5
149.04579	5.1
161.04576	10.0
179.05630	32.8
180.05989	1.1
341.10910	46.9
342.11288	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	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03437	1.5
58.00597	4.2
59.01380	100.0
60.01711	1.0
71.01386	72.4
71.19421	1.4
71.19761	1.2
72.01717	1.2
72.17459	0.6
72.99323	2.9
73.02959	2.4
75.00888	1.5
78.54809	0.6
83.01401	2.5
85.02955	9.7
87.00879	5.0
89.02454	89.5
90.02794	1.6
95.01398	4.1
97.02963	1.0
101.02455	34.1
107.03522	0.8
113.02466	27.7
114.02795	1.0
119.03522	32.2
120.03860	1.2
131.03513	4.2
132.03770	0.6
143.03519	9.6
149.04572	7.2
161.04575	10.3
162.04907	0.7
174.98665	0.7
179.05629	41.7
180.05894	1.5
267.52249	0.6
341.10886	61.5
342.11334	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	341.1394
Annotation	Wulignan A2
Peak:m/z	Relative Intensity
59.01377	3.0
59.83070	0.3
64.87692	0.3
69.41669	0.8
69.42094	2.6
70.92241	0.3
71.01375	1.4
89.02458	2.4
91.05532	0.9
101.02457	0.8
113.02439	0.4
119.03495	0.8
127.05164	0.5
135.04504	0.4
137.02437	0.3
145.02992	3.5
145.06256	0.4
146.03636	0.4
147.04501	0.3
161.04552	0.5
170.95784	0.3
179.05600	0.9
180.05829	0.3
181.06546	0.4
181.08612	0.3
196.05316	1.1
197.09731	0.4
209.06078	0.5
209.09804	0.3
210.06903	0.8
211.07579	0.7
221.06163	0.4
222.06851	1.2
223.07820	0.6
224.04788	5.9
224.08366	0.8
225.05112	0.6
225.09171	1.1
226.06360	0.4
227.10802	1.6
228.11249	0.4
235.07626	0.8
236.08382	0.5
237.05484	1.1
237.09241	0.7
238.06343	8.3
239.06885	0.9
239.10806	3.2
241.08699	3.6
250.06308	0.7
251.07137	1.1
252.04268	1.2
252.07753	0.7
253.08716	1.4
254.09473	1.9
255.10246	9.8
256.10608	1.3
263.07162	0.5
264.07706	0.4
265.05008	0.5
265.08676	1.2
266.05789	5.4
266.09210	0.5
267.06406	0.9
267.10223	1.5
269.11780	4.3
270.05362	1.1
270.12540	3.0
279.19754	0.4
280.07339	0.5
281.08176	1.0
282.08893	1.7
283.09753	51.1
284.10077	4.7
293.08093	0.5
294.08914	1.9
295.09711	5.2
296.10483	3.7
297.11172	2.6
298.04922	0.4
298.12079	4.5
299.12500	0.6
300.32156	0.3
309.11365	2.8
310.08481	1.6
310.12082	2.9
311.09259	100.0
312.09622	12.5
312.13290	0.7
325.10834	14.0
326.11588	66.9
327.11972	8.1
341.13959	98.7
342.10196	0.7
342.14294	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	339.2906
Annotation	CHEBI:79194
Peak:m/z	Relative Intensity
63.65064	0.8
70.55316	1.6
70.55683	2.9
79.95769	1.4
85.44569	0.8
98.19937	1.2
163.11310	13.3
170.00391	1.2
182.99673	1.7
183.01215	24.2
184.01707	1.3
198.03400	1.3
216.00954	1.6
219.55569	1.2
267.06070	1.1
295.26465	11.0
295.29807	1.9
321.28046	1.4
331.12286	1.1
339.20010	57.7
339.25290	5.3
339.29019	100.0
340.20352	7.6
340.23749	1.1
340.25696	1.2
340.29349	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	341.0882
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
55.01873	0.5
57.03465	0.6
58.00595	1.1
59.01382	27.4
61.98841	1.1
71.01386	19.3
71.72618	0.7
72.99316	2.2
73.02951	0.5
75.00864	0.4
78.88451	0.4
83.01423	1.0
85.02963	3.5
87.00901	1.4
89.02455	23.9
93.03497	0.6
95.01414	0.8
97.02915	0.5
99.00901	0.9
101.02460	10.2
103.00380	0.4
107.05081	0.8
113.02471	8.2
119.03512	7.7
119.04935	0.4
120.20354	0.5
120.99716	0.4
121.17503	0.4
122.58112	0.4
125.02467	0.6
129.01939	0.5
131.03545	1.1
133.02992	1.3
134.02844	0.4
134.03754	2.4
135.04547	88.2
136.04886	3.7
137.02466	1.5
139.04079	0.4
143.03516	2.3
147.04567	0.7
149.04578	0.7
149.06090	0.4
161.02461	3.5
161.04567	2.4
163.03986	0.5
164.04768	0.4
177.05588	1.1
178.02739	0.8
179.03519	100.0
179.05576	8.6
180.03854	6.5
191.03442	2.1
195.05202	0.4
209.04631	0.5
221.04495	1.1
251.05608	1.3
252.08963	0.4
281.06647	1.7
340.99777	0.6
341.08829	13.9
341.11087	6.9
342.09265	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	341.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03439	1.8
58.00596	4.0
59.01381	100.0
60.01714	1.1
66.41350	0.6
67.88819	0.6
69.78139	4.3
69.78473	0.7
69.94198	0.5
71.01386	69.1
72.01727	1.6
72.85387	0.5
72.99309	4.6
73.02961	2.1
75.00878	1.5
77.98808	0.5
80.46043	0.5
80.66071	0.5
83.01396	2.3
85.02962	10.1
86.03224	0.5
87.00894	4.8
89.02454	76.5
90.02776	1.3
91.98294	0.5
95.01394	3.7
99.00876	0.7
100.61937	0.6
101.02456	28.6
102.02792	0.9
113.02465	25.3
114.02810	0.9
119.03522	26.4
120.03878	0.6
125.02443	1.0
131.03526	4.0
143.02539	0.7
143.03540	7.8
149.04584	2.2
161.04567	7.7
179.05626	31.3
180.06004	1.1
220.20233	0.5
237.06050	0.6
305.14938	0.6
341.10901	46.3
342.11261	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	339.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.03464	0.4
58.00592	0.5
59.01378	100.0
60.01717	1.7
61.98821	1.2
69.03472	0.9
70.22549	1.5
71.01385	8.9
72.99311	1.0
73.02957	3.1
83.01396	1.6
85.02957	3.3
87.00879	0.9
87.71833	0.3
89.02448	3.0
95.01420	0.7
97.02975	0.5
99.00891	1.0
101.02455	6.9
101.03091	0.6
109.02960	4.4
111.00880	0.5
113.02469	3.2
117.05605	0.7
119.03542	1.7
119.05057	1.6
119.07777	0.4
120.05439	0.5
121.02991	0.5
121.05643	0.4
123.04549	0.4
125.02478	2.0
125.06143	0.9
126.02749	0.4
129.01991	0.5
133.02962	3.5
135.04561	2.8
135.06696	0.6
137.02478	0.4
143.03540	0.7
145.03020	0.5
147.04553	5.7
147.55560	0.4
148.05394	2.1
149.02466	0.7
149.06099	6.9
150.06476	0.4
159.03098	0.7
159.04526	1.2
161.02481	3.3
161.04601	6.3
161.06108	2.5
163.04008	2.8
163.07671	0.5
164.04385	0.6
173.04727	0.5
173.06152	1.1
174.03246	0.8
175.03975	5.5
176.01195	0.5
176.04732	1.2
177.01953	14.7
177.05515	1.0
178.02240	0.8
179.03545	0.7
179.05692	0.5
185.04568	1.0
188.04868	0.5
189.05605	4.9
191.03513	1.0
191.05611	0.6
191.07170	2.4
191.08691	0.4
193.06343	0.5
203.07187	0.9
203.95593	0.4
205.05095	1.0
217.05064	4.1
219.03058	2.5
221.04648	1.5
235.06168	4.4
236.06540	0.5
237.04111	2.6
249.04138	0.4
251.09102	0.5
274.84274	0.5
277.07159	1.1
279.05078	3.7
279.11111	1.3
279.14481	19.1
280.14896	1.3
295.08282	3.5
297.12045	1.5
334.18814	0.5
339.07181	12.4
340.07520	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37399	0.4
55.01886	1.5
57.03443	2.5
58.00593	1.1
59.01378	100.0
59.10613	0.5
60.01718	1.3
69.03456	4.5
69.52261	3.6
69.52675	0.9
71.01385	28.7
72.99318	1.4
73.02950	10.8
81.03471	1.5
83.01392	3.9
83.05003	0.7
85.02956	11.9
87.00887	2.8
87.04523	8.3
89.02452	15.8
92.33958	0.5
92.91281	0.5
93.03502	0.5
95.01405	2.1
96.96030	0.4
97.02976	2.0
99.00890	2.5
99.04542	2.3
101.02457	21.5
102.95001	0.4
103.04052	1.1
109.02999	0.6
111.04517	1.0
113.02458	11.4
115.04034	0.9
117.05588	7.7
119.03516	7.2
125.02480	2.0
127.04092	0.5
127.62201	0.5
129.05577	2.6
131.03479	0.5
135.06653	18.6
137.90038	0.5
143.03479	3.5
147.89035	0.4
149.04579	0.7
159.03058	0.8
159.06676	1.8
161.04587	7.0
163.00391	0.9
169.01471	1.0
177.01987	1.8
177.07697	4.4
179.05669	1.7
190.99910	2.4
192.00677	5.3
193.06085	0.6
201.07753	1.1
206.02138	1.1
207.02983	5.4
231.08771	0.5
257.05862	0.4
279.10843	34.7
280.11325	2.5
297.11905	33.0
298.12213	2.9
315.06274	0.9
339.07330	3.7
339.13229	4.6
344.44708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
57.03440	1.5
57.25555	0.5
58.00590	2.1
59.01379	100.0
60.01711	1.2
61.98830	0.5
69.03453	1.2
70.49211	1.1
70.49619	1.0
71.01385	28.1
72.99323	1.6
73.02952	17.9
74.03281	0.6
74.44371	0.5
75.00893	0.8
81.03464	3.5
83.01385	6.7
83.01772	0.5
85.02959	13.4
87.00871	2.7
87.04529	0.6
89.02449	16.0
89.02977	0.9
95.01379	2.7
96.96036	1.3
97.02990	1.9
97.16373	0.5
98.19919	0.5
99.00902	2.3
99.04539	2.7
101.02454	24.8
102.02788	0.8
103.04005	3.1
108.02169	0.8
109.03017	0.6
109.51221	0.4
111.00890	0.9
111.04591	0.9
113.02465	12.1
115.04037	0.7
117.05577	3.3
119.03519	9.7
123.00901	0.6
123.04577	0.6
124.01688	0.9
124.04075	0.5
125.02473	5.3
127.00466	0.6
127.04034	1.6
131.03510	0.9
135.06650	14.7
139.00410	0.7
142.42014	0.5
143.03496	2.4
149.02483	1.5
149.04543	1.0
150.03275	0.7
159.03084	0.6
159.06645	3.5
161.04562	6.3
168.00685	1.3
169.01440	6.6
177.05637	0.6
177.06125	0.6
177.07716	5.4
177.09128	0.7
177.93211	0.5
179.05659	1.8
187.06125	0.7
191.05681	1.4
192.06017	0.9
193.06062	2.3
199.06161	0.7
201.07684	7.6
205.07277	2.2
206.07875	0.6
206.41167	0.5
211.02422	0.6
224.03415	0.6
277.04535	0.7
279.10840	31.0
280.11282	1.5
297.11902	24.5
298.12415	1.4
303.50122	0.6
315.06165	8.1
315.56464	2.2
316.06638	0.8
330.06998	1.6
339.07382	2.9
339.13025	8.7
339.57352	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0722
Annotation	AESCULIN
Peak:m/z	Relative Intensity
57.80709	0.2
59.01377	2.8
61.98819	0.1
69.72551	0.7
69.72952	0.3
71.01392	0.4
73.02941	0.2
77.03986	0.2
81.03464	0.4
87.00846	0.2
89.03986	1.3
98.19924	0.2
101.02436	0.2
104.02715	0.5
105.03471	2.9
106.16072	0.1
109.02982	0.2
111.81049	0.1
113.02450	0.2
133.02979	7.6
134.03287	0.3
134.47467	0.1
135.04558	0.2
147.04518	0.3
148.01720	0.4
149.02481	0.8
149.06100	0.4
161.02509	0.3
161.04558	0.2
163.03983	0.3
174.03412	0.1
175.04047	0.2
176.01158	1.4
177.01942	100.0
178.02287	4.9
189.05563	0.3
191.05646	0.2
217.05029	0.3
218.96780	0.1
219.02934	0.2
227.07057	0.2
235.06027	0.2
237.03899	0.1
241.53966	0.1
271.02979	0.2
279.05191	0.2
279.14435	0.3
295.08054	0.2
339.07217	13.6
340.07599	1.2
340.71835	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	339.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05392	3.5
58.00595	5.0
59.01378	84.7
70.37556	17.7
71.01392	36.4
72.99306	55.5
75.00882	23.0
79.05518	5.8
83.01392	4.5
89.02460	58.7
91.75752	4.0
97.06595	20.7
99.00916	26.6
107.05007	7.4
109.04039	3.9
109.06594	9.4
111.08170	13.7
112.98815	21.5
113.99609	3.8
115.00399	6.2
117.01952	61.9
121.06609	14.4
123.08176	9.5
125.06116	27.1
135.03018	29.6
135.04561	9.4
135.08128	5.1
137.02461	5.5
137.06152	6.8
139.07649	19.4
142.99875	100.0
143.76222	4.0
149.06100	27.2
153.05617	42.9
165.05670	6.3
166.06340	8.9
167.07150	58.5
168.07306	4.3
171.06621	12.4
173.00911	44.0
174.01721	51.3
181.08699	14.4
183.06630	4.7
193.05144	19.2
193.08772	9.6
209.08109	5.9
209.23595	4.4
211.06157	12.9
225.07695	60.8
226.07962	7.2
243.08730	9.8
271.08148	23.3
272.11838	3.7
301.68057	4.4
303.10895	15.3
339.14389	24.2
339.18011	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	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.28048	0.2
59.01382	1.3
61.98822	0.4
67.01902	0.3
69.03452	0.2
69.49837	1.7
71.01385	1.0
78.06845	0.2
81.03460	0.2
83.05048	0.2
85.02960	6.7
86.03294	0.2
86.37135	0.2
87.00888	1.7
89.02470	0.3
93.03460	4.3
94.01044	0.2
94.59023	0.2
99.00890	0.2
104.80955	0.2
109.02980	0.5
111.04547	1.0
113.02411	0.2
119.05030	1.5
127.04022	1.6
145.02957	0.8
145.58809	0.2
147.88962	0.2
155.03491	0.3
163.04022	1.5
164.67024	0.2
171.03043	0.5
173.04553	1.8
191.05620	100.0
192.05975	5.0
337.09305	3.1
337.13498	0.3
337.15085	0.4
338.09384	0.5
343.37543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.4
61.98820	0.2
62.06136	0.2
63.58651	0.2
65.48199	0.2
69.57933	1.0
69.58340	0.3
71.01395	1.0
71.79227	0.2
73.02955	0.3
81.03467	0.3
83.01388	0.2
85.02944	0.3
87.39567	0.2
89.02470	0.2
89.03976	1.8
92.32425	0.2
93.03472	0.3
95.05058	0.3
101.02467	0.7
104.02711	0.2
105.03477	3.3
106.03787	0.2
109.02967	0.6
111.04560	0.2
113.02477	0.4
119.03568	0.2
119.05047	0.5
125.02418	0.5
133.02974	7.8
134.03319	0.5
135.04536	0.4
138.05623	0.2
147.04565	0.6
148.01714	0.3
148.05342	0.2
149.02492	1.1
149.06140	0.8
158.05106	0.2
161.02435	0.6
161.04594	0.5
161.06125	0.5
163.03957	0.5
164.04370	0.5
165.04446	0.3
173.06122	0.3
174.03174	0.2
175.04025	0.9
176.01190	0.6
176.04912	0.2
177.01945	100.0
178.00714	0.3
178.02295	5.9
187.60091	0.2
188.04810	0.2
189.05618	0.6
191.03560	0.2
191.07118	0.3
205.05119	0.3
217.05038	0.6
219.02968	0.4
221.04483	0.3
232.37361	0.2
235.06104	0.4
237.03935	0.4
253.89955	0.2
254.49535	0.2
255.08121	0.2
278.22397	0.2
279.05197	0.3
279.11627	0.3
279.14499	1.7
295.08344	0.6
301.82758	0.2
339.07202	6.9
339.15292	0.2
340.07419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
51.04061	0.3
56.73458	0.3
57.03442	1.1
59.01377	3.5
60.99295	1.1
62.48269	0.3
67.01897	3.8
69.03449	1.1
70.74595	0.7
71.01382	2.6
73.02978	0.3
73.51160	0.3
81.03446	0.8
83.05026	1.1
85.02954	5.8
85.06606	1.9
87.00883	6.8
89.96469	0.3
93.03468	25.6
94.03804	1.0
99.00903	0.4
99.04522	0.5
101.02403	0.3
103.67415	0.3
109.02989	0.9
111.00811	0.4
111.04536	4.9
113.02483	0.8
115.04014	0.4
117.05563	0.4
119.05047	12.0
119.97132	0.3
120.05359	0.4
127.04024	1.0
129.01942	0.7
137.02455	1.2
145.03003	1.6
155.03545	2.0
163.04033	10.6
164.04303	0.5
164.07349	0.3
171.02959	0.7
173.04570	30.4
174.04909	1.2
180.51680	0.3
184.00951	0.3
187.04433	0.3
189.07732	0.4
191.05626	100.0
192.05972	3.3
204.97322	0.3
242.97815	0.4
337.09338	4.9
338.09140	0.6
338.12653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0779
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
57.03439	2.0
59.01380	51.7
61.98837	3.6
64.97878	1.2
67.25514	1.1
67.56162	1.0
68.99529	1.6
68.99863	1.2
70.47709	4.9
71.01387	25.1
72.99324	2.5
73.02935	5.4
75.00879	2.5
76.08442	1.1
79.47000	1.0
83.01395	4.3
85.02961	13.5
87.00879	6.8
89.02438	12.5
95.01402	2.5
95.05069	2.7
97.02970	1.6
99.00898	8.0
101.02454	16.0
105.07161	1.4
111.00895	5.6
112.98687	4.8
113.02466	16.4
113.99626	14.4
115.00393	9.7
115.04017	2.4
119.03519	6.3
119.05045	1.1
121.06687	1.6
125.02459	1.6
127.00429	3.2
129.01961	4.2
130.08762	2.4
131.03537	1.4
133.06602	4.8
135.04570	1.9
139.00481	1.8
142.99899	1.3
143.03549	2.3
149.02432	1.3
149.06108	1.6
151.04103	2.1
157.01451	7.2
157.05081	3.0
159.03088	1.2
159.04565	2.7
161.04576	5.9
161.06133	3.2
163.04034	10.3
163.06169	3.6
165.01918	1.7
173.00883	1.3
173.04689	1.7
174.01714	19.3
175.02518	7.0
175.06128	5.0
177.05606	2.2
179.05644	4.1
187.03978	4.2
190.02769	1.5
193.01443	7.7
196.82292	1.1
203.03658	1.5
205.05055	12.2
249.04033	11.4
277.05692	14.1
277.08997	2.2
278.12448	1.4
293.03061	2.3
320.51062	1.1
337.02090	11.6
337.07788	100.0
337.11444	17.9
338.02118	1.2
338.08093	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	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.21992	0.4
52.07250	0.4
57.03436	0.4
59.01378	16.6
65.58421	0.3
67.01895	1.3
68.28642	0.3
69.03465	0.7
69.92278	1.2
69.92712	1.3
71.01387	4.9
71.97785	0.3
73.02955	1.0
81.03471	0.9
83.01389	0.6
83.05039	0.7
85.02956	6.5
85.49361	0.4
87.00895	2.4
87.04526	0.9
89.02449	3.5
93.03468	11.4
94.02937	0.6
99.00900	0.8
99.04530	0.4
101.01874	0.4
101.02454	2.4
108.04564	0.6
109.02962	1.1
109.57989	0.3
110.06137	0.5
111.00916	0.5
111.04531	4.0
113.02447	1.8
117.03517	0.4
119.03565	2.0
119.05039	55.2
120.05371	2.4
122.06136	0.5
124.07687	1.4
125.02437	0.6
127.04034	1.5
129.01973	0.6
129.09227	0.5
133.03088	0.4
135.04474	0.3
136.07706	2.4
137.02473	1.0
138.05603	0.6
143.03523	0.5
145.03004	1.1
155.03534	2.3
157.08725	1.3
161.04588	0.7
162.03230	0.5
163.04025	100.0
164.04382	5.4
164.07208	1.1
168.06686	1.7
173.04568	13.8
174.04930	0.5
175.09833	2.1
176.03568	0.9
179.05588	0.5
189.01938	0.4
191.05620	67.9
192.05960	3.0
193.01349	0.5
220.09781	3.1
242.20790	0.5
277.03430	0.6
277.12268	1.1
337.02048	0.8
337.05237	0.5
337.09314	9.3
337.14981	8.1
338.09357	1.5
338.15424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01383	13.8
60.60621	0.4
65.00526	0.4
67.01891	1.1
68.47402	0.4
69.03464	0.7
70.47189	1.5
71.01389	4.0
72.99306	0.4
73.02958	1.2
81.03464	0.8
83.01376	0.6
83.05051	1.1
85.02959	7.8
85.28194	0.5
87.00883	3.2
87.04520	1.0
89.02467	3.2
93.03470	11.1
94.03027	0.5
94.03802	0.4
101.02449	2.5
109.02966	0.7
110.19592	0.4
111.04547	4.2
112.22298	0.4
112.54522	0.3
113.02451	1.7
116.60344	0.4
119.03610	1.4
119.05049	61.5
120.05404	3.1
123.96574	0.4
124.07743	1.0
125.02484	0.6
127.04040	1.6
129.01935	0.7
129.09219	0.9
133.02982	0.4
136.07704	2.1
137.02516	0.9
138.05667	0.5
145.02989	1.1
155.03558	3.2
157.08751	1.2
161.04662	0.5
163.04044	100.0
164.04390	5.9
168.06689	1.2
173.04578	13.5
175.09814	2.1
176.03557	1.5
179.05591	0.6
191.05644	74.5
192.05960	3.1
220.09714	1.8
271.70993	0.4
277.03531	0.8
277.12030	1.2
337.02277	0.6
337.05771	0.6
337.09338	11.4
337.15021	8.6
338.09299	1.2
338.15475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.9
57.03453	1.3
58.00602	3.6
59.01383	73.3
59.98512	0.6
60.01727	0.9
61.98872	0.5
63.38471	0.6
70.46455	1.1
70.46853	1.3
71.01387	38.6
72.01721	0.8
72.99313	2.6
73.02968	0.8
83.01398	3.0
85.02960	8.5
87.00898	1.6
89.02454	39.1
90.02768	0.7
93.17602	0.6
93.80095	0.5
95.01400	3.3
98.20615	0.7
99.00898	0.6
101.02457	29.5
103.67704	0.5
111.08174	1.4
113.02473	14.8
119.03519	20.5
131.03571	1.2
141.85110	0.6
143.03548	1.8
145.08421	0.5
149.04561	1.1
155.07169	4.6
161.04556	1.6
167.28465	0.5
169.08734	0.5
173.08191	2.6
179.05653	2.2
209.18634	0.5
287.67526	0.7
335.13486	100.0
336.13855	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	335.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03454	1.5
58.00602	3.7
59.01381	100.0
60.01722	1.0
61.98836	0.8
67.70673	0.5
69.54659	6.0
71.01387	57.5
72.01720	0.8
72.99311	4.3
73.02970	1.8
81.86533	0.5
83.01379	3.2
85.02956	10.0
87.00843	1.2
89.02456	57.9
89.37739	0.6
90.02794	1.1
95.01404	4.8
101.02457	40.1
102.02782	0.6
113.02467	21.0
119.03521	26.9
127.11295	1.2
131.03519	2.6
143.03526	2.7
148.59052	0.6
149.04625	1.8
155.10799	2.6
161.04579	1.9
173.11812	1.8
175.45781	0.6
179.05626	2.4
256.86273	0.7
335.17126	78.6
336.17493	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	336.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05231	0.4
54.94287	0.3
55.25245	0.4
59.01377	1.2
61.98835	100.0
65.58657	0.4
100.08069	0.4
109.02948	0.4
157.18759	0.4
191.05687	0.4
234.77214	0.4
336.11404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
59.01380	51.7
61.98837	3.6
64.97878	1.2
67.25514	1.1
67.56162	1.0
68.99529	1.6
68.99863	1.2
70.47709	4.9
71.01387	25.1
72.99324	2.5
73.02935	5.4
75.00879	2.5
76.08442	1.1
79.47000	1.0
83.01395	4.3
85.02961	13.5
87.00879	6.8
89.02438	12.5
95.01402	2.5
95.05069	2.7
97.02970	1.6
99.00898	8.0
101.02454	16.0
105.07161	1.4
111.00895	5.6
112.98687	4.8
113.02466	16.4
113.99626	14.4
115.00393	9.7
115.04017	2.4
119.03519	6.3
119.05045	1.1
121.06687	1.6
125.02459	1.6
127.00429	3.2
129.01961	4.2
130.08762	2.4
131.03537	1.4
133.06602	4.8
135.04570	1.9
139.00481	1.8
142.99899	1.3
143.03549	2.3
149.02432	1.3
149.06108	1.6
151.04103	2.1
157.01451	7.2
157.05081	3.0
159.03088	1.2
159.04565	2.7
161.04576	5.9
161.06133	3.2
163.04034	10.3
163.06169	3.6
165.01918	1.7
173.00883	1.3
173.04689	1.7
174.01714	19.3
175.02518	7.0
175.06128	5.0
177.05606	2.2
179.05644	4.1
187.03978	4.2
190.02769	1.5
193.01443	7.7
196.82292	1.1
203.03658	1.5
205.05055	12.2
249.04033	11.4
277.05692	14.1
277.08997	2.2
278.12448	1.4
293.03061	2.3
320.51062	1.1
337.02090	11.6
337.07788	100.0
337.11444	17.9
338.02118	1.2
338.08093	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	335.0774
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
54.23204	0.4
57.03439	0.6
59.01390	2.1
61.98835	4.3
65.03933	0.4
69.68415	0.4
69.69193	2.7
71.01378	1.0
73.02959	2.2
81.03466	1.1
83.01421	0.6
83.05035	2.3
84.02694	0.3
85.02975	1.2
89.02456	0.5
93.03469	11.4
93.94523	0.3
94.03822	0.7
96.96027	0.4
99.00900	0.7
101.02478	0.6
107.05034	1.3
109.02955	1.4
110.66582	0.4
111.00911	0.4
111.04534	3.9
111.08143	0.6
117.03494	0.6
120.99654	0.8
123.04548	0.5
125.02460	0.5
133.02980	8.2
134.03752	4.5
135.04543	100.0
136.04907	3.9
136.07669	0.5
137.02466	5.4
153.01900	0.5
155.03476	2.5
161.02464	23.5
162.02795	1.1
173.04607	1.8
173.08235	0.5
174.38972	0.4
179.03517	86.9
180.03880	4.1
213.07617	0.7
273.12231	0.5
291.09274	0.5
291.12732	0.7
335.07733	31.3
335.11786	1.4
335.20706	3.8
336.08029	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	335.0409
Annotation	Dantrolene sodium anhydrous
Peak:m/z	Relative Intensity
58.11032	0.4
59.01369	1.5
61.98832	25.2
64.74845	0.3
71.73067	0.6
75.16476	0.4
79.95710	0.4
93.03475	0.6
100.33833	0.4
109.02970	0.5
113.22094	0.4
117.03449	0.5
120.99678	0.5
131.01401	1.2
131.05067	0.5
133.02974	1.4
135.04538	6.7
136.04820	0.5
143.01414	1.6
145.03000	0.8
147.00908	0.7
147.04564	0.7
148.01695	1.0
159.00887	2.6
159.04561	1.2
160.01649	0.9
161.02472	3.8
161.99625	0.5
163.00436	0.8
163.04024	0.8
171.00890	4.4
172.01526	0.5
173.02444	0.6
175.03993	1.9
176.01183	3.2
177.02029	0.6
179.03511	5.6
187.00388	4.6
187.04044	1.4
188.01114	2.0
189.01891	1.7
189.53244	0.5
190.99901	1.3
191.03514	0.8
199.00356	1.2
201.01938	0.4
203.03510	1.8
204.00656	1.3
204.04333	0.5
205.01346	0.6
214.99863	7.0
216.00639	8.6
217.01292	2.1
219.02965	2.6
229.01382	1.2
230.02155	1.3
231.03014	2.3
232.00140	1.6
233.00906	2.0
233.04601	0.6
233.98070	3.6
242.99329	12.6
244.00069	6.8
245.00900	1.1
247.02473	3.6
248.03163	2.1
259.02539	0.7
259.99594	10.3
261.00348	6.1
270.98813	12.4
271.99490	3.1
275.01968	20.0
276.02466	2.1
279.05222	0.4
286.98264	0.9
287.99115	0.6
291.05258	0.9
303.01443	13.7
304.02075	3.3
307.04492	3.6
308.05118	0.8
335.04095	100.0
336.00427	0.5
336.04413	10.3
336.08246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
61.98841	0.5
69.39671	1.7
69.40096	3.2
78.03506	1.0
80.05059	0.7
82.55936	0.5
88.98805	0.5
92.05059	2.2
94.06236	0.4
94.06644	4.2
101.08317	0.4
104.04510	0.4
104.05104	3.2
104.50770	0.5
105.03452	1.9
106.06642	13.2
107.03789	0.8
107.06983	0.4
108.04578	1.8
120.04562	5.4
121.05377	1.1
122.02514	0.5
122.06136	14.5
123.03268	1.5
123.06483	0.6
124.07711	0.9
131.03824	0.7
132.04579	8.2
135.03351	0.6
136.04047	0.5
138.05637	20.6
139.05974	1.0
140.07274	0.5
147.49954	0.5
148.04057	0.8
150.05618	2.3
159.06917	0.7
162.07941	0.4
165.88469	0.4
166.05090	0.6
167.29099	0.5
173.08461	0.5
184.11150	0.5
188.07121	0.4
189.07932	1.4
197.07072	0.6
209.11526	0.5
214.99942	0.5
215.11879	1.6
217.07491	1.6
218.11832	0.5
229.09760	0.7
231.09183	0.5
231.11426	0.8
241.09782	2.8
243.11308	2.5
259.10922	0.8
271.10944	0.9
289.11935	100.0
290.12268	10.3
314.97882	2.3
333.10895	10.6
333.14404	0.4
333.26233	1.1
334.11328	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	334.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58057	0.3
57.03452	1.1
59.01385	1.9
61.98832	100.0
63.17499	0.3
69.77116	0.4
69.77458	2.6
71.01394	1.0
73.02972	1.0
83.01414	1.0
89.02476	0.8
93.03490	0.9
96.96018	0.4
98.19878	0.4
101.02454	0.5
107.05001	0.3
109.02972	1.3
111.00895	1.0
111.08180	0.5
113.02415	0.4
120.99679	1.0
121.03005	0.6
125.02464	8.5
133.02977	0.7
134.03757	0.4
135.04549	6.5
137.02483	2.5
144.29832	0.4
148.06387	0.5
149.02371	0.5
155.03642	0.3
161.02487	2.1
162.09814	0.4
165.01987	1.2
173.04666	0.4
173.08255	1.2
174.01778	1.6
177.01964	6.3
179.03516	6.3
203.05656	0.4
273.12521	0.5
290.03851	0.9
292.60779	0.4
303.05225	0.5
334.10138	0.4
334.15732	0.5
335.07776	2.3
335.12280	1.3
335.20746	4.0
347.25967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32807	1.3
59.01369	3.4
61.98828	1.3
69.58466	5.7
69.58902	4.4
71.01396	1.4
90.03483	1.9
92.05064	7.5
98.19852	1.4
103.04283	2.9
103.68413	1.2
104.05084	8.1
110.02493	1.8
118.03011	2.5
120.04557	3.2
122.02436	2.2
122.06128	17.6
123.03246	2.4
136.04088	1.9
136.07704	1.3
138.05630	15.0
140.07188	12.9
148.04074	4.7
150.05583	1.9
154.06627	2.9
155.07318	1.3
156.08186	1.3
158.09741	3.2
158.52977	1.5
163.64981	1.2
166.05115	11.6
167.05869	2.3
168.06680	3.8
168.08159	1.9
169.08960	3.1
172.07788	1.1
172.11334	9.6
172.67918	1.0
184.09767	1.9
184.11317	15.9
186.05644	1.5
187.06352	3.5
188.10857	1.4
199.08762	2.3
200.07196	2.8
201.08014	3.2
202.12357	10.4
211.05147	2.4
212.05890	4.3
213.10474	1.6
214.08774	4.0
215.09488	4.5
216.06854	2.4
216.10374	11.4
217.07442	35.2
218.07776	1.8
218.11835	1.4
224.25478	1.3
225.06746	4.4
225.10211	2.2
226.07437	5.0
227.04663	2.8
227.08342	2.3
231.09023	15.9
232.09550	1.8
237.06650	1.9
238.07497	2.4
240.09006	2.5
241.09816	27.1
242.06992	3.1
242.10132	1.8
243.11411	3.1
245.12833	1.7
246.11340	84.9
247.11548	7.1
253.09816	11.2
255.07730	5.6
256.08365	2.4
259.10895	14.2
260.11404	2.6
261.00336	1.5
264.44116	1.4
271.10861	100.0
272.09085	5.2
272.11749	8.0
289.11902	20.0
297.08716	1.5
314.97797	4.9
315.09879	11.3
333.10907	75.4
334.11197	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	331.2492
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
54.67430	0.2
58.00599	0.4
58.66019	0.2
59.01381	1.3
61.98825	0.5
65.00315	0.4
65.92265	0.2
69.40562	0.9
69.40997	1.4
71.01414	0.4
72.39067	0.2
86.12212	0.2
98.19803	0.4
107.01395	0.7
123.04487	0.2
125.09725	1.2
127.11308	5.5
128.11642	0.4
138.84438	0.2
141.12885	0.2
143.10783	1.1
151.00397	4.8
155.10793	1.9
157.12354	3.7
158.12637	0.3
158.20091	0.2
159.49295	0.2
171.10277	2.0
175.04047	0.3
178.99889	0.6
185.11867	0.3
187.13428	1.0
190.57898	0.2
201.11285	1.6
211.02493	2.3
259.06143	0.3
283.22769	0.3
287.05444	0.5
295.22772	1.1
309.70749	0.2
311.22299	0.6
313.03589	0.2
313.23871	7.6
314.24161	0.7
329.23416	3.9
330.23755	0.5
331.24915	100.0
332.25259	12.1
332.29416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59716	0.6
59.01381	6.3
61.98833	100.0
62.35635	0.6
69.44535	6.6
79.73293	0.7
79.82253	0.6
120.07331	0.7
121.76904	0.6
134.93579	0.6
155.06723	0.6
165.12903	1.4
207.13969	2.0
209.11903	2.1
225.15022	0.7
269.13934	23.8
270.14359	2.0
295.43054	0.7
314.98035	1.4
332.98999	0.7
333.13449	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1035
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
52.16487	0.2
59.01377	0.6
63.01667	0.3
69.20894	0.3
69.86341	1.6
71.01375	1.6
73.02940	0.6
75.71247	0.4
82.00626	0.5
85.02966	2.6
87.00840	0.4
95.01408	0.3
99.00928	0.3
101.02464	1.1
110.00105	6.2
111.00874	0.5
113.02464	3.1
123.00864	0.8
124.01674	0.8
125.02461	7.2
131.03552	0.5
136.01636	0.3
137.02490	0.4
137.99602	8.0
138.03203	0.4
139.00418	2.7
140.01143	0.8
140.97719	0.3
149.02451	0.5
151.00391	0.8
151.03949	0.5
152.01170	3.6
153.01956	100.0
154.02354	5.4
155.03511	2.4
161.04570	1.6
165.05495	0.3
166.02737	0.6
167.02376	0.2
167.03514	13.3
168.04295	57.6
169.01469	1.7
169.05049	11.9
170.05452	0.5
179.03528	0.9
181.01427	0.5
181.05113	0.6
182.99428	0.3
191.03542	1.4
194.02232	0.6
196.03830	0.7
209.04541	1.2
211.02399	0.6
211.06073	0.9
221.04477	0.3
271.04608	1.1
293.96442	0.3
299.07776	0.5
307.06052	0.3
331.06650	1.1
331.10291	6.3
332.10739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0672
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.56963	0.4
59.01368	0.5
60.55394	0.4
65.62000	0.4
68.74931	0.4
69.03460	2.7
69.65446	2.5
71.01379	1.0
78.16671	0.4
79.01883	0.5
81.03474	1.4
83.01405	1.3
89.02459	0.6
97.02969	2.6
97.18842	0.4
107.01391	1.4
115.77697	0.3
123.00909	3.5
124.01680	12.5
125.02460	58.8
126.02824	1.3
131.97401	0.4
137.02467	0.8
149.02411	0.5
149.99603	25.4
151.00436	2.2
153.01961	4.1
157.39893	0.4
163.98718	0.5
165.01978	0.5
167.03496	1.4
168.00658	59.4
168.04367	1.9
169.01430	13.9
169.05093	0.4
180.04233	0.4
192.41437	0.4
193.01463	0.5
196.11246	0.4
211.02496	1.7
241.03415	2.5
271.04608	1.0
313.05704	7.6
316.36087	0.4
331.06699	100.0
332.07056	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	331.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41903	0.4
57.03421	0.5
59.01381	4.6
65.00326	0.8
69.03461	1.7
70.86559	0.9
70.86925	0.9
71.01382	2.9
74.31670	0.5
76.43452	0.5
81.03455	1.7
83.01409	3.8
85.02975	0.6
89.02455	1.7
89.76093	0.4
95.01399	1.5
97.02962	1.8
101.02459	1.4
107.01417	6.0
111.00909	0.6
113.02464	1.2
119.03478	0.6
123.00900	4.5
123.06281	0.4
124.00826	0.7
124.01685	8.7
125.02464	58.8
126.02778	2.0
137.02458	1.0
139.00406	1.6
139.04019	1.0
140.01176	1.5
141.01924	0.6
149.99597	13.3
151.00391	12.7
165.01965	0.7
167.03520	1.5
168.00659	36.3
169.01443	40.2
170.01761	2.3
175.00381	1.1
181.01505	0.5
183.02937	1.1
193.01422	1.9
211.02492	11.1
212.02748	0.6
241.03537	1.2
271.04578	12.4
272.05090	0.7
313.05615	3.9
331.06702	100.0
332.07019	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	331.0673
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.28333	0.6
56.08500	0.6
56.69206	0.6
57.03444	2.0
59.01382	15.1
65.00327	1.2
69.03450	1.2
70.48563	1.8
71.01385	8.4
72.99338	1.0
73.02942	0.8
81.03473	1.2
83.01389	4.4
85.02972	2.2
87.00870	0.8
89.02459	5.0
95.01398	2.1
97.02975	1.5
101.02466	4.1
107.01403	6.9
108.02199	16.0
108.02884	1.5
109.03008	3.5
111.00904	1.4
113.02458	3.4
119.03517	1.0
123.00896	7.1
124.01712	4.2
125.02464	69.4
126.02818	1.7
133.05048	1.0
139.00397	3.0
140.01189	1.3
150.99142	1.3
151.00389	25.0
151.03984	1.3
151.05946	1.4
152.00772	0.9
153.01935	1.2
161.04619	4.5
167.03502	1.7
168.00676	13.0
168.04239	0.8
169.01445	92.2
170.01750	4.3
175.00349	2.0
193.01447	2.9
199.48204	0.7
211.02498	31.7
212.02869	1.1
241.03566	2.1
267.39951	0.8
271.04593	45.4
271.08011	2.8
272.04935	3.2
298.88062	0.7
313.11224	1.4
331.06711	100.0
332.06995	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	331.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.91240	0.5
57.19476	0.5
59.01371	5.6
67.01888	0.5
69.03434	0.5
69.98995	2.8
71.01382	4.8
72.65796	0.5
72.99326	0.8
81.03448	0.5
85.02951	0.8
85.68148	0.5
89.02437	1.4
89.05482	0.4
101.02451	0.7
103.88388	0.4
107.01383	3.8
110.00058	0.5
111.00914	1.5
119.14085	0.4
121.03011	0.5
121.22966	0.4
123.00884	2.4
124.01694	4.4
125.02464	29.1
126.02760	1.1
127.00362	0.9
136.98804	1.4
139.00369	1.5
139.04022	4.0
140.01215	2.1
143.36348	0.5
149.99565	0.8
151.00365	1.9
153.01945	1.8
165.01913	0.7
167.03506	1.7
168.00668	17.4
168.04161	0.9
169.01447	42.1
169.05070	6.3
170.01807	2.1
211.02492	54.4
212.02869	2.9
241.03546	5.5
271.04581	100.0
272.04941	7.4
276.18814	0.4
300.00601	0.5
313.05612	1.0
329.68051	0.4
331.06714	23.5
331.10330	1.9
332.07138	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	330.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64104	0.4
57.03435	0.6
59.01373	3.0
61.98831	100.0
70.85297	1.5
71.01415	0.4
125.02519	0.6
151.00310	0.4
153.01950	0.5
166.25357	0.4
169.01422	0.5
190.03421	0.6
211.02548	0.5
241.29352	0.5
258.57074	0.4
278.92496	0.4
287.02155	0.6
287.05609	0.6
330.14383	0.5
331.07181	0.5
331.11877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01335	0.9
62.27525	0.2
65.00305	0.5
71.01353	0.5
71.71314	0.4
76.76333	0.3
79.01852	0.3
85.02924	0.2
91.05512	0.4
92.05044	0.4
103.05533	0.5
108.02155	0.3
114.05518	0.4
115.05508	0.8
116.05068	0.4
117.03477	0.5
119.05031	1.3
123.00832	0.4
123.04464	0.2
125.02403	1.0
130.04271	0.3
130.08670	0.4
131.04233	0.3
131.05054	3.6
141.03432	0.4
143.05072	1.2
145.02905	0.3
146.03519	0.3
147.04526	3.1
148.98740	0.5
150.11888	0.3
156.08179	0.6
157.02881	0.7
158.03680	0.4
159.04529	7.6
159.59198	0.2
160.04825	0.3
161.02415	0.7
161.06093	0.4
168.00587	0.4
168.04222	0.3
169.01389	1.9
169.02885	0.9
171.04570	2.1
172.01694	0.4
173.02419	0.7
174.03194	0.5
175.00494	0.3
175.04021	5.5
176.01039	0.5
176.04208	0.4
177.01901	0.8
177.05539	0.5
179.03450	0.4
185.02426	1.6
186.03055	0.3
187.02470	0.4
187.04027	6.7
188.01093	0.4
188.04286	0.4
189.01854	0.6
193.05026	0.7
197.02380	0.7
199.03922	0.6
201.01898	1.1
202.02716	1.8
203.03506	25.0
204.03796	1.9
211.02501	1.3
213.01907	2.8
214.02625	1.1
215.03499	4.6
216.00626	1.9
216.03741	0.5
217.01382	0.4
225.05928	0.6
229.01396	0.7
230.02293	1.2
231.02972	18.5
232.03334	1.6
241.01431	2.5
242.02106	1.1
243.02974	2.5
243.06889	1.1
243.11345	0.7
244.00056	1.9
258.01642	2.6
259.02454	28.2
260.02753	2.0
269.00806	0.5
269.09201	0.6
270.01572	0.6
271.04654	1.6
275.02170	0.5
287.01956	100.0
288.02298	9.3
288.05527	0.5
303.01456	1.4
331.00943	21.0
331.17889	0.4
332.01285	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
57.03434	0.7
58.85834	0.2
59.01369	0.7
61.98823	0.3
69.03462	0.4
71.05018	0.4
82.88749	0.2
83.05020	0.7
84.78809	0.3
84.91539	0.2
85.02951	0.3
88.47102	0.2
97.06590	0.5
97.55956	0.3
99.08170	5.9
110.02296	0.2
125.09759	1.6
127.11301	3.3
129.09251	0.4
137.09738	0.3
139.11299	3.9
155.10796	0.6
155.14421	0.7
157.12331	0.4
165.12831	0.8
167.14424	1.4
171.10289	10.3
172.10600	0.5
183.13930	5.3
193.10745	0.4
193.12302	2.1
199.13429	0.3
209.11816	1.3
211.13411	28.9
212.13745	1.8
229.14452	15.5
229.38106	0.3
230.14784	1.1
293.21295	0.7
311.22314	0.8
329.23340	100.0
330.23676	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	330.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
58.00583	0.8
59.01085	1.3
59.01381	22.1
61.98832	56.0
63.99050	0.8
69.03479	0.8
69.94999	4.6
71.01385	12.8
72.99323	2.1
73.02956	1.6
76.81849	0.8
80.05086	1.0
83.01398	1.7
85.02964	5.5
86.00125	4.1
87.00886	18.5
89.02444	8.1
90.34371	0.7
91.78087	0.7
95.01389	2.6
99.00900	2.1
101.02461	7.1
107.01398	3.9
107.03774	1.8
108.04571	1.6
110.02506	0.9
111.00873	1.4
113.02461	7.4
119.03521	3.0
121.05347	1.9
122.06135	35.2
123.00885	7.1
123.06464	1.1
124.04076	1.0
125.02462	22.5
129.01971	1.0
130.13881	0.8
134.06168	3.9
135.03255	1.2
136.04034	1.6
136.06737	1.0
136.07706	16.7
138.05650	1.1
139.00381	1.7
140.01135	2.1
141.01953	1.8
146.06129	1.5
148.07645	1.3
149.04826	1.3
150.05627	100.0
151.00378	4.8
151.03992	0.9
151.05914	3.0
152.07181	7.5
157.73830	0.8
158.05992	1.1
161.04643	2.3
162.05603	2.2
164.07219	3.7
167.03510	1.2
168.00664	5.3
168.02992	0.9
168.06673	2.4
169.01445	47.0
174.05566	1.8
174.99153	1.4
175.06389	4.9
176.07153	7.9
177.07520	0.9
183.03076	1.2
184.56761	0.8
186.04060	1.2
192.06787	1.1
193.01384	2.7
194.08279	4.7
204.06664	2.2
211.02472	15.7
222.07632	2.8
235.67540	0.9
241.03516	0.9
252.08850	1.9
270.02771	1.0
271.04651	7.5
312.10889	51.2
313.11240	5.2
330.05093	4.7
330.11926	34.4
331.06705	68.0
331.12500	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	329.1397
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
52.87154	0.3
54.89373	0.3
59.01383	2.3
61.98848	0.6
65.16898	0.4
67.22961	0.4
69.61288	3.2
85.73059	0.4
93.03485	1.4
109.02984	1.3
115.76617	0.3
121.02972	23.1
122.03320	0.8
135.04561	2.1
143.77437	0.3
147.03459	0.7
147.04544	8.1
159.04555	2.8
167.07094	0.4
182.07494	0.4
191.07104	0.4
192.07925	1.2
196.05261	0.9
198.06921	0.4
199.07878	0.4
209.06012	0.9
210.06859	0.9
211.04053	1.2
211.07513	0.6
212.04787	4.1
213.05267	0.4
213.09187	0.5
222.06856	1.0
223.07661	1.5
224.06815	0.7
225.05540	0.9
225.09244	1.0
226.06355	1.8
227.07103	0.6
227.10852	0.8
234.47916	0.4
237.05539	0.8
238.06294	0.6
239.03653	0.5
239.07124	0.6
240.04279	4.8
240.07913	0.6
241.04866	0.5
241.08698	2.6
243.10239	1.6
250.06332	0.4
251.07141	2.4
252.07878	0.6
253.04922	0.9
253.08757	2.7
254.05833	7.4
254.08716	0.5
255.06395	0.7
255.10265	1.6
263.07040	0.9
265.08649	0.8
267.06638	0.6
268.07410	0.8
269.08173	64.7
270.08557	5.6
271.09756	7.6
272.10159	0.6
280.17380	0.4
281.08194	10.1
282.08762	1.3
283.09799	3.6
286.04822	1.5
298.08597	0.7
299.09253	47.1
300.09558	3.9
313.10770	1.5
314.11594	60.2
315.11960	4.5
329.13934	100.0
330.14255	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	329.1142
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
54.22363	0.5
59.01389	3.2
61.82325	0.5
69.30036	0.5
69.81760	4.6
72.13391	0.5
82.02992	8.4
93.21898	0.5
106.06644	7.2
108.04604	1.0
110.02519	1.9
120.04612	0.8
121.02960	0.6
122.06153	2.0
125.02448	0.7
132.04579	24.2
133.05299	2.4
134.06151	35.1
135.04579	0.6
135.06514	1.7
136.04103	2.1
138.05707	0.8
148.04095	1.0
149.02486	7.7
149.04872	2.7
150.05545	0.7
158.56117	0.6
160.04089	17.2
161.04855	36.5
162.05641	78.6
163.05930	3.4
164.04768	0.7
167.03502	0.5
167.07133	0.6
173.04982	0.6
176.03625	3.1
188.03548	0.8
189.89491	0.7
193.03822	45.4
194.04242	3.0
196.07870	0.6
206.04720	0.7
212.07190	5.8
213.07925	2.0
214.08794	5.6
226.08705	2.3
240.10298	1.1
241.06175	6.9
242.11890	3.9
243.11383	2.9
254.06972	0.9
255.07722	1.2
257.09317	11.4
258.09583	1.2
268.09805	3.1
269.09344	5.6
285.12448	63.3
286.12796	6.6
311.10403	8.6
314.11652	2.6
319.36859	0.7
323.15979	0.6
329.11395	100.0
330.11673	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	329.0304
Annotation	(3Z)-Obtusenyne
Peak:m/z	Relative Intensity
59.01374	3.5
61.98832	1.1
68.15426	0.4
177.24542	0.4
192.00705	1.6
199.00354	0.7
214.99937	1.9
227.12924	0.5
242.99339	9.9
243.99750	0.7
257.68594	0.5
270.98831	84.8
271.99191	6.3
283.99567	0.9
285.00342	2.4
286.01068	1.3
298.98337	92.7
299.98718	8.2
312.99847	3.8
314.00684	100.0
315.00989	8.3
329.03030	78.4
329.14001	0.5
329.23203	2.7
330.03348	8.3
330.07059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01869	1.0
57.81930	0.8
58.00586	2.3
58.73107	0.7
59.01379	64.6
67.01885	1.5
69.66823	6.5
71.01388	39.9
72.01751	1.1
72.99313	3.1
73.02938	1.1
83.01402	1.6
85.02956	8.9
87.00899	1.4
89.02456	31.1
91.01910	1.8
95.01386	4.8
98.19905	1.4
101.02462	20.4
104.90395	0.8
107.01393	2.6
108.02197	5.4
109.02979	3.0
111.00879	1.4
111.48593	0.8
113.02464	16.6
119.03522	10.1
121.02949	1.1
122.03753	3.7
123.00892	3.1
123.04533	12.8
124.01641	1.2
125.02459	2.0
126.49287	0.8
131.03555	0.8
136.01642	1.2
137.02466	1.5
138.03259	1.1
143.03510	1.5
149.02480	1.1
150.03261	1.4
151.00385	4.8
151.04092	1.0
152.01181	10.1
153.05624	1.5
165.01944	1.3
165.05569	1.9
166.02745	8.6
167.03519	67.1
168.03827	3.5
169.01378	0.9
179.05655	1.4
181.05090	10.2
182.05519	1.1
183.02994	2.2
189.45461	0.7
194.02206	3.0
197.04607	2.4
209.04555	38.7
210.04936	2.6
239.05603	4.6
249.15828	0.8
269.06616	7.6
293.12357	0.9
314.06598	1.0
329.08780	100.0
330.05627	1.0
330.09109	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	327.2906
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01382	100.0
60.01716	1.1
61.98819	0.8
71.73650	0.8
82.02493	0.4
83.04979	0.5
98.24956	0.4
112.66649	0.4
115.00426	0.5
149.81522	0.5
161.00467	0.4
217.68881	0.5
327.18317	2.0
327.29041	85.7
328.29404	10.0
328.33167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2904
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
51.13309	0.6
59.01380	34.4
61.98820	0.6
70.36264	0.5
70.99033	0.5
71.29627	1.3
95.99531	0.5
121.02935	0.7
185.00838	1.0
197.80084	0.5
267.10315	0.7
281.28534	2.7
282.28992	0.6
283.26419	1.4
309.27979	0.9
325.27545	0.9
327.18283	2.2
327.29031	100.0
328.29391	11.6
348.41675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	41.8
61.98828	2.0
65.30898	0.4
69.45698	0.6
69.46100	4.0
71.01382	0.6
72.99346	0.5
78.95930	0.5
79.44247	0.4
80.01670	0.4
87.00887	0.7
115.02511	1.4
117.00459	5.1
122.06008	0.4
125.00897	0.5
126.98901	1.5
143.02052	0.7
144.99907	0.7
157.03571	0.6
159.01515	62.7
160.01666	5.5
168.99991	3.9
170.97849	3.4
171.98158	0.5
187.01007	100.0
188.00522	14.1
198.99570	0.5
201.02565	15.6
202.02734	1.7
241.00603	1.2
259.01434	0.6
274.99243	1.0
287.01160	0.8
311.01025	0.8
328.96832	1.0
329.02118	4.7
330.02304	1.2
339.19766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
58.00587	2.0
59.01376	3.2
62.76133	0.3
69.03502	0.4
70.99944	0.5
71.00280	0.3
73.37903	0.3
79.79758	0.3
82.22203	0.2
83.05017	0.4
97.06602	2.0
109.06593	0.5
111.08170	9.2
127.07658	0.8
136.72060	0.3
151.11304	0.5
153.09190	0.3
153.12895	0.9
155.10794	0.4
169.12340	6.2
171.10133	0.3
179.10829	0.6
181.12405	2.2
183.13919	0.8
193.12326	0.7
197.11836	45.9
198.12167	2.9
199.13394	7.1
200.13763	0.6
211.13385	6.4
212.13928	0.4
221.11868	0.5
227.12932	0.9
229.14412	1.2
239.12849	0.6
263.20203	0.6
269.08124	0.9
273.18542	0.4
291.19623	2.5
292.19894	0.3
297.07764	0.9
297.97708	0.6
309.20734	2.1
312.10043	0.6
313.00049	0.4
327.21753	100.0
328.22119	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	327.2178
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03437	1.5
59.01376	0.9
66.64594	0.4
69.03454	1.7
71.00385	0.5
71.00721	0.7
71.01385	0.7
71.91032	0.4
82.93278	0.4
83.05013	0.8
85.02951	6.9
95.05011	0.9
97.02947	0.5
97.06599	4.0
125.09722	1.5
127.11271	1.6
137.09711	1.3
155.10814	0.8
165.12733	1.0
167.14439	1.1
171.10281	13.1
177.12787	1.2
183.13905	4.6
184.14278	0.4
185.11879	1.2
193.12360	1.8
201.11391	0.7
203.10756	0.6
209.11835	1.5
211.13388	22.5
212.13777	1.7
219.44467	0.4
221.11835	3.5
229.14436	13.6
230.14795	1.4
239.12877	2.3
247.20615	0.4
248.49661	0.4
270.96878	0.5
288.42767	0.4
291.19635	2.8
292.20139	0.6
309.20648	0.9
327.21753	100.0
328.22092	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	327.2542
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
50.54539	0.3
57.03429	0.7
59.01363	0.6
62.34251	0.3
69.64276	2.9
72.07598	0.3
84.35816	0.3
144.76990	0.4
185.00826	0.6
201.68311	0.3
222.78592	0.4
263.23892	0.8
265.25345	72.9
266.25711	9.1
283.26367	1.6
309.20694	0.7
309.24344	21.1
310.24719	2.8
327.25412	100.0
328.25732	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	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60160	0.2
54.56110	0.2
57.03435	0.4
58.00597	1.8
59.01088	0.2
59.01380	3.4
61.98818	0.2
69.03460	0.5
70.99522	0.4
70.99889	0.4
71.01395	0.4
72.99282	0.3
73.02960	0.3
80.02715	0.2
81.03448	0.2
83.05052	0.6
85.02926	0.2
95.05005	0.2
97.06609	2.4
99.08157	0.3
109.06611	1.1
111.08171	8.8
112.08540	0.3
127.07669	1.5
137.09743	0.4
149.02408	0.3
151.11304	0.3
151.60146	0.2
153.09143	0.3
153.12856	1.1
155.10771	0.3
155.14478	0.2
163.11322	0.2
167.10794	0.3
169.12352	5.9
170.12648	0.3
171.10249	1.2
179.10793	0.4
181.12335	2.2
183.13927	0.8
185.11789	0.3
187.48055	0.2
193.12386	0.6
194.99260	0.2
197.11838	47.7
198.12163	2.9
199.13412	7.7
199.15056	0.2
200.13741	0.5
201.11301	0.3
209.11920	0.3
211.13397	6.6
212.13792	0.3
221.11853	0.5
227.12938	0.9
229.14497	1.1
239.12926	0.4
247.20612	0.2
256.83649	0.2
263.20163	0.7
265.18002	0.2
266.05811	0.3
267.06628	0.2
267.10846	0.4
268.07361	0.4
269.08203	2.2
269.98074	1.2
270.08575	0.2
273.18533	0.3
282.08661	0.2
283.09723	0.3
285.00357	0.2
291.19620	2.8
297.07639	2.7
297.97568	1.5
298.07928	0.3
309.20694	2.1
309.24207	0.3
310.21042	0.4
312.10080	1.6
312.99811	1.7
327.12903	4.2
327.21753	100.0
328.02267	1.3
328.09036	0.2
328.12766	0.5
328.22098	12.7
331.04221	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03438	0.3
58.00592	0.8
59.01371	1.3
70.59846	1.0
71.01389	0.5
73.02916	0.3
78.05734	0.2
85.02969	0.5
97.06606	2.0
110.17296	0.2
111.08243	0.3
115.07681	0.3
127.07680	0.3
128.93140	0.3
138.29941	0.3
138.62151	0.2
153.12894	1.6
155.14423	4.1
165.12851	0.6
166.16438	0.3
167.14340	0.5
171.10294	0.8
183.13911	6.4
184.14203	0.3
185.15512	0.5
194.99339	0.3
199.13420	6.0
200.13841	0.3
209.11856	0.4
211.13402	4.6
212.13727	0.5
221.11827	0.3
227.12888	3.1
229.14441	100.0
230.14781	6.2
267.10834	0.6
291.19659	1.5
309.17133	0.5
309.20697	8.3
310.21030	0.8
327.12314	0.5
327.21774	7.2
327.25668	0.4
328.21988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
54.02524	3.5
57.03442	4.7
59.01374	17.3
69.03452	3.7
71.01392	3.9
71.04997	4.8
71.71253	4.3
80.02678	5.6
81.32858	3.1
83.05033	14.4
84.02159	3.8
85.02947	5.7
97.02950	4.0
97.06588	15.2
99.08108	3.8
101.02449	4.5
109.06638	4.4
123.08190	7.8
125.09735	48.5
127.11280	5.6
137.09738	57.2
139.11337	7.4
155.10834	21.3
160.54660	3.5
171.10291	100.0
172.10582	6.0
173.11852	34.9
193.12306	5.1
194.99458	6.6
247.20656	7.0
263.72638	4.0
267.10867	9.5
291.19708	25.9
292.19873	4.2
309.20798	5.8
327.08121	13.5
327.14713	5.3
327.21750	60.2
327.25470	18.9
328.21936	7.8
331.84833	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	327.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01463	1.5
64.90572	0.5
68.98265	0.5
69.42821	5.1
72.99389	0.5
98.20660	0.7
101.02524	0.5
111.82724	0.5
121.03061	0.9
122.03831	0.8
132.02261	0.8
133.02991	2.4
135.04677	1.4
145.02975	12.1
146.03796	4.0
147.04688	0.5
150.06885	0.5
157.14836	0.5
161.06210	1.4
163.04082	0.8
165.05699	0.8
166.06500	1.5
167.07152	19.2
168.07590	0.5
183.08237	1.1
193.06717	0.8
194.07480	0.6
195.08188	0.7
196.05391	0.9
197.06276	0.7
199.07719	0.6
207.08122	1.0
209.06129	0.6
209.09781	0.7
210.06898	0.7
211.07648	6.4
221.06073	0.7
221.09805	2.1
222.06915	1.8
223.07632	3.3
224.04817	1.2
225.05569	3.9
225.09158	4.8
226.09932	1.0
235.07700	0.6
236.08363	1.0
237.05670	1.3
237.09261	2.0
238.04320	0.5
238.06297	2.6
238.09940	1.0
239.07066	5.7
239.10924	1.8
240.07727	1.1
240.11540	0.9
241.08775	1.5
250.06413	2.0
251.07097	6.6
251.10994	0.6
252.07693	1.6
253.05026	7.0
253.08768	2.0
254.09450	0.9
255.10289	1.8
256.11032	22.3
257.11420	2.3
263.07202	1.3
264.07852	1.0
265.08633	5.8
266.05914	1.6
266.09454	1.3
267.06650	13.7
267.10242	3.8
268.07135	2.4
269.07993	0.7
281.08279	2.7
282.08990	1.7
283.09756	15.4
284.10501	16.0
285.10858	1.5
294.08994	1.0
295.09753	15.1
296.10519	27.7
297.11234	11.1
298.11691	1.3
310.08441	13.1
311.09244	60.3
312.10007	94.9
313.10385	9.4
327.08932	5.6
327.12363	100.0
328.09332	0.6
328.12704	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	327.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.9
69.64626	3.7
108.35053	0.5
109.02978	0.8
114.38184	0.4
121.02936	1.2
122.03763	0.8
130.04300	0.5
131.05028	0.8
133.02975	3.7
134.09496	0.5
135.04532	1.7
136.51749	0.4
145.02975	12.3
146.03845	2.2
157.31248	0.5
160.05324	0.5
161.06102	0.6
165.05589	0.8
166.06375	1.4
167.07147	18.7
167.08588	1.0
168.07446	0.8
193.06598	1.4
194.07330	0.8
195.08324	0.5
196.05328	0.9
197.06093	0.6
203.35443	0.4
207.08102	1.3
209.06038	0.7
211.07675	8.3
212.08170	0.8
221.06088	0.9
221.09700	0.6
222.06839	0.9
223.07648	3.5
224.04855	0.9
225.05597	2.8
225.09198	4.9
226.09732	0.9
235.07681	1.1
236.08333	0.7
237.05530	1.0
237.09209	1.1
238.06424	2.2
238.09950	0.8
239.07144	5.0
239.10741	1.7
240.07724	1.0
241.08742	1.4
250.06328	1.9
251.07086	6.9
252.07622	1.0
253.05061	7.0
253.08658	2.2
255.10222	2.8
256.11050	21.5
257.11307	2.0
263.07086	0.9
264.07886	1.0
265.08682	4.9
266.05786	1.7
266.09085	1.1
267.06601	12.4
267.10187	5.1
268.07162	1.1
268.10794	0.7
269.08026	0.6
281.08163	2.8
282.08798	2.1
283.06595	0.7
283.09747	14.4
284.07272	0.7
284.10501	15.7
285.10980	1.2
294.08832	1.4
295.06339	0.7
295.09741	15.3
296.10526	27.4
297.07776	0.7
297.11200	11.4
298.11713	1.4
309.11279	0.5
310.08484	14.8
311.09247	58.9
312.10001	95.0
313.10333	10.3
327.12384	100.0
328.09286	0.6
328.12708	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	327.1236
Annotation	2,3,4,6,7-Pentamethoxyphenanthrene
Peak:m/z	Relative Intensity
59.01377	3.9
61.98801	1.6
71.01362	2.2
72.07015	0.6
85.02943	0.7
87.04523	0.8
98.20615	1.4
101.02452	1.1
108.41781	0.6
111.08138	1.3
125.09785	0.6
143.44148	0.5
150.03223	0.7
165.05522	0.6
171.10313	1.6
177.12839	0.8
181.08673	1.1
183.13922	1.3
183.72816	0.6
185.11842	5.3
197.11852	4.5
209.11810	2.4
211.13408	1.1
221.11797	2.1
225.05421	0.7
238.06302	2.6
239.07010	3.8
239.12827	2.2
241.05328	0.6
253.05078	0.9
257.14099	0.5
266.05777	3.3
267.06522	1.7
267.10858	1.3
269.08176	60.4
270.08481	5.8
291.19608	1.0
297.07693	44.2
298.08133	4.0
309.20770	1.4
312.10031	100.0
313.10364	12.3
327.12387	77.4
327.21735	36.5
328.12753	9.1
328.22025	4.0
345.83456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.9
69.64626	3.7
108.35053	0.5
109.02978	0.8
114.38184	0.4
121.02936	1.2
122.03763	0.8
130.04300	0.5
131.05028	0.8
133.02975	3.7
134.09496	0.5
135.04532	1.7
136.51749	0.4
145.02975	12.3
146.03845	2.2
157.31248	0.5
160.05324	0.5
161.06102	0.6
165.05589	0.8
166.06375	1.4
167.07147	18.7
167.08588	1.0
168.07446	0.8
193.06598	1.4
194.07330	0.8
195.08324	0.5
196.05328	0.9
197.06093	0.6
203.35443	0.4
207.08102	1.3
209.06038	0.7
211.07675	8.3
212.08170	0.8
221.06088	0.9
221.09700	0.6
222.06839	0.9
223.07648	3.5
224.04855	0.9
225.05597	2.8
225.09198	4.9
226.09732	0.9
235.07681	1.1
236.08333	0.7
237.05530	1.0
237.09209	1.1
238.06424	2.2
238.09950	0.8
239.07144	5.0
239.10741	1.7
240.07724	1.0
241.08742	1.4
250.06328	1.9
251.07086	6.9
252.07622	1.0
253.05061	7.0
253.08658	2.2
255.10222	2.8
256.11050	21.5
257.11307	2.0
263.07086	0.9
264.07886	1.0
265.08682	4.9
266.05786	1.7
266.09085	1.1
267.06601	12.4
267.10187	5.1
268.07162	1.1
268.10794	0.7
269.08026	0.6
281.08163	2.8
282.08798	2.1
283.06595	0.7
283.09747	14.4
284.07272	0.7
284.10501	15.7
285.10980	1.2
294.08832	1.4
295.06339	0.7
295.09741	15.3
296.10526	27.4
297.07776	0.7
297.11200	11.4
298.11713	1.4
309.11279	0.5
310.08484	14.8
311.09247	58.9
312.10001	95.0
313.10333	10.3
327.12384	100.0
328.09286	0.6
328.12708	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	327.1085
Annotation	Androsin
Peak:m/z	Relative Intensity
57.03431	1.1
58.00592	2.4
59.01380	42.6
64.08167	0.7
71.01388	20.7
71.20829	1.5
72.99307	2.6
73.02943	1.0
75.00871	0.8
82.32667	0.8
83.01367	1.5
85.02947	5.1
87.00892	1.3
89.02455	19.9
95.01376	1.5
101.02459	13.4
113.02467	8.2
119.03528	9.4
119.04974	3.8
138.56410	0.8
146.26842	0.7
147.04539	100.0
148.04907	5.7
149.04611	1.0
151.91191	0.7
165.05595	13.3
166.06020	0.8
179.05627	1.7
179.17029	0.8
248.41179	0.8
282.39246	0.8
294.37582	0.8
295.90005	0.7
307.09393	0.8
327.10849	77.4
328.11185	8.6
328.44775	0.8
330.59125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	1.6
59.01381	100.0
60.01712	1.3
69.03465	2.4
71.01385	37.3
72.99330	1.2
73.02955	59.1
74.03300	1.5
81.03541	0.7
83.01397	15.4
85.02955	3.6
87.00897	1.9
89.02462	10.1
89.02976	0.9
93.03419	0.9
95.01417	1.4
97.02996	0.8
98.19820	1.5
99.00916	0.9
101.02459	46.7
102.02803	1.1
107.05050	0.7
109.03011	2.5
113.02463	13.8
119.03517	5.6
119.04993	0.8
121.02999	1.6
121.06749	0.6
123.04561	1.4
125.02473	2.3
131.03542	4.7
135.04648	0.7
143.03540	3.6
147.04518	1.1
149.02455	0.6
149.04575	4.3
151.65291	0.7
155.03574	1.6
159.08125	0.7
161.04607	8.6
163.04079	1.9
165.05611	1.9
165.07759	1.9
179.03581	4.7
195.71497	0.6
203.05731	1.9
207.66801	0.7
221.06761	2.1
251.03931	0.9
311.09717	0.7
312.10364	1.0
327.08463	1.0
327.13330	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.7
57.03441	1.9
58.00589	3.8
59.01381	100.0
69.63464	6.6
71.01389	62.6
72.99319	4.2
73.02945	3.4
83.01386	1.6
85.02964	10.1
87.00884	2.7
89.02457	62.5
95.01414	5.1
98.31715	1.1
101.02459	30.5
113.02464	23.3
119.03522	26.1
131.03519	2.3
143.03502	3.8
145.02434	1.4
147.04543	91.3
148.04880	4.9
149.04585	2.5
161.04585	3.7
166.05466	1.0
179.05659	3.9
182.90498	1.1
221.65623	1.2
327.10785	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	327.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50601	0.8
55.01859	1.8
57.03437	1.1
58.00596	1.4
59.01383	33.9
61.23757	0.9
63.13411	0.9
65.65870	0.8
69.89941	0.9
71.01386	24.4
71.39257	2.0
72.99314	4.2
73.02956	13.2
75.00878	15.8
78.95906	5.2
83.01392	1.3
85.02964	6.0
87.00886	30.5
89.02453	19.3
89.51322	0.9
95.01397	1.1
99.00890	6.2
101.02457	13.8
103.88117	1.1
104.99581	0.8
105.01961	13.6
105.18367	0.8
110.02477	1.1
111.00940	1.4
113.02469	5.8
117.01984	1.2
119.03539	7.7
126.98889	0.9
129.01976	2.1
131.03442	2.5
142.96681	2.3
143.03470	1.2
146.95201	1.3
147.02979	5.3
150.94826	1.0
152.91769	1.5
160.97696	1.4
165.04022	1.1
172.99423	1.5
179.05646	1.9
191.05675	2.0
192.95752	1.4
194.51428	1.3
208.95322	1.8
222.93298	9.6
237.06354	1.1
240.94397	2.7
254.97470	1.3
266.93909	2.8
327.01532	4.0
327.09314	100.0
328.09659	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	325.2021
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
56.92057	0.5
59.01386	3.8
69.59783	4.5
70.89919	0.4
71.05004	0.4
85.06597	0.6
97.06594	1.0
98.20560	0.9
100.45656	0.4
124.25060	0.5
124.37797	0.5
125.09720	0.9
165.12820	0.6
171.10329	0.7
196.08061	0.5
197.11856	1.1
199.13438	2.9
209.11836	0.9
227.12894	11.0
228.13258	1.1
229.14418	1.0
230.14738	0.5
237.22188	5.8
281.21216	92.3
282.21576	8.9
307.19098	2.7
325.20218	100.0
326.20505	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	325.2021
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
51.56510	0.7
54.81718	0.6
57.03439	5.1
58.00594	1.2
59.01379	5.9
68.00639	0.7
68.98630	0.6
69.03450	1.4
71.01379	2.1
71.05032	1.6
72.02180	0.7
73.02927	1.3
75.58055	0.6
80.02680	1.5
83.05019	1.7
84.02145	0.6
85.02960	1.5
85.06615	0.7
87.04502	1.6
93.08415	0.7
95.05022	1.2
97.02962	0.8
97.06592	2.7
98.03751	1.0
98.20618	1.8
105.85967	0.7
109.06599	2.0
110.03754	0.9
111.08170	21.1
112.08492	0.8
113.09664	0.6
123.04508	0.9
123.08171	3.9
125.06070	1.3
125.09742	26.0
126.10066	1.5
127.11310	12.0
134.04758	0.8
135.08127	1.6
137.09735	8.0
139.11314	1.3
141.09203	2.4
141.44685	0.7
151.07661	0.8
151.11293	4.8
153.09267	4.7
155.10797	4.3
155.11818	0.7
157.12326	0.8
164.08417	2.7
165.09201	3.9
165.12785	0.8
167.10828	2.3
169.12294	2.4
171.10283	15.4
172.10620	1.0
177.09184	0.8
183.10226	2.1
187.09758	0.7
195.10310	4.5
197.11896	1.8
199.09775	3.3
199.13390	1.0
201.11339	80.5
202.11607	4.3
209.11864	1.3
211.09653	1.4
211.13406	2.4
213.11333	50.2
214.11682	4.7
227.12872	1.6
237.11333	0.6
237.14922	1.6
245.19020	2.1
250.12035	1.9
255.15991	1.5
263.20187	1.2
271.17108	0.9
279.19647	1.1
281.17685	0.7
289.18103	17.1
290.18335	2.6
297.07596	0.9
307.19153	43.9
308.19513	5.8
308.38803	0.7
317.44131	0.6
325.07410	3.5
325.20203	100.0
326.07498	1.0
326.20554	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	325.2022
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
50.38132	2.1
53.26484	2.3
57.03444	3.2
58.00592	5.3
59.01374	27.0
61.98816	6.8
69.03462	4.9
71.01385	8.0
71.05013	3.3
71.67161	2.7
79.95742	4.1
81.03461	5.4
83.05032	9.9
84.02190	5.9
85.02961	4.6
87.04551	2.6
89.02442	3.0
95.05040	6.1
96.96037	4.4
97.02951	6.1
97.06589	8.9
97.38435	2.5
101.02433	6.0
109.02908	2.5
109.06608	5.6
111.08147	5.3
113.06048	3.8
116.07191	33.3
119.05026	2.8
121.02979	2.8
123.08150	3.1
125.09735	5.3
127.07671	7.2
135.08134	4.9
139.07599	3.5
145.02991	3.1
149.09714	8.3
151.11365	2.7
153.09186	6.7
157.08714	9.5
159.04605	3.0
163.11247	5.1
165.12833	8.8
171.10283	14.7
181.12440	3.5
185.11874	7.9
193.12376	3.1
195.10260	23.5
197.11824	22.5
209.11835	70.6
210.12125	7.5
211.13345	4.5
213.11368	3.6
215.12801	5.0
227.12840	8.2
245.19099	2.7
249.14868	3.4
261.08630	3.2
281.17538	5.6
289.18100	9.1
307.19156	39.7
308.19464	4.7
325.07208	18.9
325.16629	11.7
325.20169	100.0
326.07797	4.5
326.11679	4.9
326.20166	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	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.6
59.01375	13.5
67.01878	1.7
67.11559	2.0
69.03452	5.1
69.48552	1.4
71.01385	2.3
71.65528	3.1
81.03461	4.6
83.01387	5.3
83.05025	6.3
95.05045	4.5
97.02965	3.8
97.06602	6.4
106.04244	2.2
109.06625	1.5
111.08189	1.7
121.06614	1.7
123.04546	6.7
123.08183	5.2
125.09711	16.3
135.08186	3.5
137.09753	6.6
149.06084	2.3
149.09738	1.7
163.11307	7.3
165.09221	2.1
165.12912	3.7
167.10793	10.4
171.10248	2.4
172.25142	1.4
177.12917	1.9
179.10780	1.7
181.12332	2.2
184.05247	1.6
185.11844	8.8
191.10802	3.4
191.14407	2.9
207.10277	5.3
209.06108	1.7
209.11812	20.2
210.12018	1.6
211.13461	1.6
213.09215	2.7
225.09308	3.0
225.11366	4.3
240.04280	2.0
241.08725	2.7
242.02301	1.9
245.19106	5.2
250.54150	1.8
251.07224	3.4
267.03030	2.3
269.08203	3.6
279.06653	5.1
280.07437	1.7
281.04578	5.0
282.05292	5.0
289.18054	4.5
295.06192	3.0
296.03305	4.5
296.06766	3.5
297.07681	11.4
307.06140	7.9
309.04086	6.6
325.07178	100.0
326.07562	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	325.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28609	0.2
50.99333	0.2
57.99445	0.2
64.00145	0.2
70.79828	0.2
72.84451	0.2
79.95697	1.1
82.86279	0.2
98.20822	0.3
119.05062	0.9
126.76426	0.2
168.78932	0.2
170.00475	1.2
183.01222	44.6
184.01852	3.4
197.02800	3.3
198.03433	0.6
211.04280	0.4
216.01003	1.6
225.05922	0.5
230.02426	0.6
239.07173	0.4
261.22443	0.2
307.05927	0.2
325.18420	100.0
326.18741	11.2
326.22656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09737	0.3
57.34743	0.4
59.01380	100.0
60.01711	1.7
60.89947	0.4
61.98839	1.0
69.36147	0.5
69.36548	3.9
71.01385	4.7
72.99319	0.4
73.02941	1.8
75.00864	0.4
75.38522	0.4
83.01400	0.5
85.02950	1.7
87.00912	0.3
89.02460	1.9
98.19877	0.5
99.00890	0.4
101.02460	5.1
113.02481	2.3
119.03564	0.7
119.05013	2.1
119.26411	0.3
125.02497	0.6
134.03879	0.4
134.04765	2.1
161.04581	4.5
163.04001	2.3
163.06131	0.6
169.01465	0.5
204.04352	0.7
219.06631	1.0
225.02357	0.4
265.12900	10.9
266.13455	0.9
281.06842	0.4
325.05801	0.9
325.11157	0.9
325.14691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17675	0.3
59.01366	2.3
62.49354	0.3
69.63784	2.7
71.01389	1.2
72.78138	0.3
84.53397	0.3
89.02437	0.9
93.03443	0.4
98.20585	0.8
101.02458	0.6
105.33582	0.3
105.98786	0.4
109.03015	0.4
109.06405	0.3
117.03456	3.5
119.05039	100.0
120.05380	5.3
123.04491	0.5
125.02489	0.5
128.90633	0.4
145.02969	19.8
146.03383	1.1
161.06140	0.8
163.04021	85.5
164.04367	4.5
180.10756	0.4
187.04012	0.6
192.00670	0.6
193.01414	1.2
205.05067	0.6
265.07053	0.5
289.07132	1.0
303.41711	0.4
325.05838	0.6
325.09348	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	1.4
61.98840	1.4
62.81385	0.3
71.01386	4.5
71.17707	0.7
73.02962	1.7
83.01401	0.8
85.02965	2.2
89.02478	1.0
99.00880	0.7
99.12264	0.4
101.01836	0.6
101.02459	4.5
103.66101	0.4
113.02485	1.7
119.05053	3.5
125.02453	0.7
141.08086	0.3
143.03619	0.5
143.18903	0.4
159.03061	0.6
161.04587	5.0
163.04057	3.4
164.07208	1.2
169.01517	0.9
179.91815	0.4
204.04366	0.4
228.40105	0.4
265.12897	10.9
266.13336	0.8
325.14642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.57039	0.3
54.83195	0.3
56.59873	0.3
59.01381	2.0
69.78450	0.9
69.78877	1.3
71.01386	0.7
85.02948	0.7
89.02440	1.0
93.03465	0.4
98.20548	0.4
101.02472	0.4
109.02972	0.8
113.02473	0.5
114.58529	0.3
117.03476	3.4
119.05042	100.0
120.05378	4.7
123.04522	0.6
125.02475	0.7
137.02457	0.5
145.02972	16.3
146.03294	0.8
151.04005	0.3
161.05994	0.4
163.04027	83.2
164.04346	4.6
179.03419	0.5
187.04018	0.8
193.01430	1.3
203.07248	0.3
205.05087	0.6
245.08092	0.8
245.81680	0.3
265.07129	0.5
270.44202	0.4
289.07147	3.0
290.07376	0.3
303.04294	0.4
325.05750	0.4
325.08929	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
76.34152	0.4
86.08742	0.4
95.76451	0.4
98.20626	1.4
113.22697	0.4
113.42643	0.4
115.88915	0.4
148.98653	0.4
171.04405	0.5
172.05325	1.4
178.03079	0.4
184.05293	2.5
190.02655	0.4
191.03371	0.4
195.04533	0.5
195.08122	0.8
197.09813	0.7
198.03258	0.8
199.04015	0.5
199.07829	0.6
200.04825	0.6
208.05241	0.4
209.06160	0.6
210.06810	0.4
211.03999	0.9
212.04727	0.8
213.09216	1.8
214.02788	0.6
223.07654	2.2
225.05492	0.8
225.09200	2.9
226.02731	0.9
226.06320	0.4
233.06046	0.7
235.03961	0.6
235.07672	0.6
237.05457	0.6
239.03557	1.0
240.04250	1.1
241.08722	2.8
242.02197	1.7
249.05389	0.5
251.07111	3.4
252.07600	0.9
253.04961	0.7
253.08725	1.5
254.05856	0.7
255.02954	0.8
256.03778	1.1
261.05536	0.6
263.03461	1.3
263.07297	0.4
264.04218	1.3
265.04956	1.3
267.02997	4.5
268.03717	2.0
269.08102	3.4
270.01669	1.4
277.04987	1.0
279.03058	1.9
279.06598	5.3
280.07089	0.6
281.04544	4.6
281.08157	1.7
282.05292	4.6
289.05035	0.6
292.03799	1.8
295.02744	0.9
295.06100	2.7
296.03253	4.2
296.06897	4.0
297.04153	0.6
297.07629	12.6
298.08093	1.1
306.05557	0.5
307.06158	7.6
308.06598	1.2
309.04028	5.6
310.04617	2.1
325.07162	100.0
326.07495	14.2
326.11423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
59.86810	0.3
65.32002	0.3
70.54955	0.3
73.11407	0.3
76.56367	0.4
91.46370	0.3
93.03565	0.3
98.19837	0.8
105.71876	0.3
148.51285	0.4
162.66255	0.4
171.04524	0.4
172.05258	1.3
183.04590	0.4
184.05316	3.0
187.07695	0.4
195.04523	0.7
195.08191	0.5
196.05228	0.5
197.05974	0.4
197.09691	1.0
198.03273	0.6
200.04808	0.4
203.10680	0.5
207.08183	0.5
208.05281	0.4
209.06136	0.7
210.03139	0.4
210.06750	0.5
211.03957	1.0
212.04836	0.7
213.09245	2.0
214.02736	1.0
216.21669	0.4
222.03363	0.4
223.07603	2.4
224.08005	0.6
225.05588	0.6
225.09166	2.8
226.02641	0.5
227.03491	0.7
233.06090	0.6
235.07564	0.6
236.04620	0.6
237.05467	0.7
238.06325	0.5
239.03497	1.2
240.04237	1.0
241.08653	3.0
242.02191	1.6
242.08925	0.4
243.02922	0.4
251.07117	2.8
252.04169	0.6
252.07497	0.3
253.05074	0.9
253.08679	1.7
254.02194	0.5
254.05849	0.7
255.02968	0.8
256.03751	1.4
261.05478	1.0
263.03537	0.8
264.04224	1.5
265.05017	2.3
266.05777	0.7
267.02954	4.8
267.05862	0.6
268.03711	1.7
269.08188	4.3
270.01682	0.8
270.08517	0.9
277.04977	0.6
278.05725	0.6
279.03036	1.5
279.06622	4.4
280.03961	0.4
280.07108	0.8
281.04544	4.3
281.08093	1.7
282.05283	4.3
283.05673	0.5
284.03391	0.5
289.05057	0.9
292.03757	1.6
293.04453	0.8
295.02908	0.8
295.06168	2.3
296.03226	3.6
296.06854	3.9
297.07663	12.1
298.08020	1.4
306.05447	1.0
307.06104	7.1
308.06583	1.0
309.04059	5.0
310.04709	3.1
311.05002	0.4
325.07162	100.0
326.07498	12.3
326.11444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.60682	1.6
57.03445	6.1
58.82499	1.8
59.01376	23.2
61.98835	3.1
80.02689	2.6
81.03469	2.5
83.05032	6.4
84.02158	2.7
85.02987	3.2
89.02511	2.6
91.05546	2.4
94.24042	1.9
96.96046	3.0
97.02966	4.2
97.06597	61.8
99.00850	3.4
99.04557	2.2
106.04223	2.1
109.06599	42.9
110.07014	2.0
112.47948	2.0
113.02473	2.7
119.05042	4.9
123.08182	5.3
125.02414	2.0
125.09740	49.2
126.10102	2.2
134.07422	2.1
135.08200	23.5
145.27028	1.9
150.58492	2.4
153.09178	4.6
161.06085	36.9
162.06425	2.7
163.11304	13.3
171.10349	2.4
181.12376	8.1
185.11835	3.4
207.10268	49.8
208.10725	4.6
209.11786	3.7
217.16118	3.3
225.11299	46.1
226.11739	2.9
229.29407	2.3
254.22569	1.8
261.14920	5.7
261.18494	3.2
266.16165	2.1
277.18155	8.1
279.16000	69.7
280.16370	6.4
287.16473	28.5
295.19168	3.2
305.17557	100.0
306.17859	8.6
308.74817	1.8
323.05719	3.6
323.18594	13.7
323.22253	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	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67205	0.5
55.01885	1.5
57.03442	0.6
58.00597	2.8
59.01382	82.9
59.78912	0.6
60.01714	1.3
69.03456	0.8
69.53696	5.6
71.01389	44.6
72.01734	1.0
72.99316	3.3
73.02967	1.3
83.01382	2.9
85.02966	8.7
87.00904	2.2
89.02458	47.9
95.01392	3.3
97.03008	0.9
101.02458	29.7
112.98842	1.6
113.02470	16.9
113.99612	1.3
119.03522	21.6
120.03937	0.7
125.02439	3.1
131.03513	1.4
137.02446	0.6
143.03520	2.2
145.49301	0.6
149.04578	0.9
161.02448	1.4
161.04596	2.5
161.08253	1.1
165.02031	0.7
169.01436	2.2
175.04030	0.8
177.01923	0.9
179.03493	1.2
179.05609	3.2
191.03517	1.0
191.07071	0.9
192.82640	0.6
194.05882	1.3
209.08183	3.0
279.03244	1.8
287.03043	7.2
287.53223	1.2
323.13501	100.0
324.13821	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15850	0.5
54.45732	0.6
55.01875	1.9
56.20464	0.5
57.03442	1.1
57.17484	0.5
58.00584	3.7
59.01379	90.1
60.01708	1.3
70.68185	2.4
71.01383	48.1
72.01711	1.3
72.99318	3.4
73.02953	2.4
83.01403	2.1
85.02962	9.4
87.00883	1.6
89.02454	48.8
89.06593	0.6
89.15598	0.7
90.02788	0.8
93.89422	0.6
95.01410	4.4
98.20543	0.7
99.00877	0.8
101.02455	32.4
102.02779	0.9
113.02465	19.2
119.03522	23.0
131.03528	1.0
143.03546	2.4
149.04565	1.5
161.04593	2.2
179.05644	4.5
262.04221	0.7
323.13477	100.0
324.13815	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	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78537	0.6
51.02412	0.4
52.51925	0.4
55.01881	1.1
57.03459	1.2
58.00606	3.7
59.01381	80.9
60.01729	0.9
70.46938	1.8
71.01388	40.8
72.01738	1.0
72.99301	2.9
73.02950	3.6
73.05224	0.5
83.01387	3.1
85.02962	6.6
87.00903	2.2
89.02455	43.3
90.02807	0.8
95.01411	3.4
99.08152	0.9
101.02455	25.9
113.02469	16.3
114.02779	0.6
114.34647	0.5
117.01957	5.2
119.03517	19.9
128.10431	0.6
131.03548	1.6
136.70102	0.5
138.31628	0.6
143.03511	2.4
143.07155	1.0
149.04608	2.8
161.04576	1.5
161.08165	1.1
179.05603	2.7
212.78676	0.5
246.96692	0.5
323.13480	100.0
324.13812	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	322.0936
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01876	1.4
57.03426	1.2
58.00598	4.1
59.01379	100.0
60.01694	1.0
61.98825	1.4
71.01389	55.2
71.07113	0.7
71.67238	1.2
72.01732	0.7
72.98969	0.8
72.99316	5.1
73.02960	1.8
83.01390	2.6
85.02959	12.1
87.00891	2.3
89.02457	53.9
91.34377	0.7
95.01385	3.5
101.01779	1.0
101.02457	29.7
113.02469	23.5
116.05080	41.0
117.05409	1.5
119.03521	18.5
120.78415	0.8
125.02437	1.5
142.72234	0.8
143.03500	2.4
144.04582	1.2
149.04617	1.4
160.04074	62.8
161.04482	5.4
168.00520	0.8
179.05656	3.4
199.51672	0.8
202.05128	30.0
203.05443	2.0
207.39667	0.9
212.63220	0.9
232.06117	6.7
233.06612	0.8
262.07187	43.9
263.07526	3.3
322.09320	75.5
323.09692	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	321.207
Annotation	Decahydro-alpha,4a-dimethyl-8-methylene-7-(2-methyl-1-oxopropoxy)-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
56.57335	0.3
59.01380	2.6
60.46870	0.3
61.98830	0.6
71.71337	0.6
85.02980	0.3
111.31353	0.3
125.02376	0.3
139.46002	0.3
145.12447	0.3
164.31328	0.3
182.99167	0.3
194.94585	0.3
277.21713	47.9
278.22046	6.2
321.20700	100.0
322.21027	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01706	1.5
67.58452	0.2
71.01383	2.6
71.16022	0.4
74.14387	0.2
85.02946	0.3
87.00867	0.4
89.02453	3.9
95.01375	0.4
101.02441	1.1
113.02486	1.0
119.03501	1.3
131.03500	0.3
143.03568	0.4
161.04576	0.2
179.05617	0.5
239.17918	0.3
267.28986	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0827
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
55.01879	1.3
57.03451	4.2
58.00587	0.4
59.01381	8.6
67.01888	0.6
68.99830	0.6
69.03459	6.5
71.01392	14.7
71.35267	1.0
72.99320	1.2
73.02954	13.3
73.03307	0.3
78.95911	1.2
81.03485	0.8
83.01392	2.2
85.02962	32.2
86.03309	1.0
87.00887	100.0
88.01225	2.1
89.02462	1.1
93.03458	0.8
95.01402	4.3
96.96027	1.7
96.96998	1.5
97.02968	31.0
98.03319	1.1
99.00908	2.6
101.02461	1.7
103.04024	10.6
107.28089	0.4
109.02977	0.7
111.00889	1.2
113.02473	8.5
115.00390	10.8
115.04022	2.4
118.11288	0.4
125.02459	1.6
128.03589	0.4
129.01994	2.1
139.00262	0.4
141.01981	2.1
142.05136	0.4
145.01436	0.6
150.01285	0.3
157.01451	10.0
159.02986	1.2
164.89558	4.1
169.01387	0.5
169.47246	0.4
175.02502	52.3
176.02826	2.2
189.07773	0.4
217.03535	19.5
218.03889	1.1
231.05128	0.7
262.06329	0.4
303.07208	7.1
304.07690	0.7
321.08313	11.2
321.11761	0.6
322.08371	1.2
322.11655	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.14
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01881	5.1
57.03453	4.0
58.00594	1.6
59.01380	40.8
61.98823	1.8
69.03452	1.1
69.62169	6.9
71.01385	45.3
71.05021	1.0
72.99306	3.4
73.02952	16.9
75.00878	1.6
76.74984	0.8
83.01391	10.8
85.02959	22.5
85.06549	0.9
86.00100	1.5
87.00881	3.3
87.72625	0.8
89.02448	12.3
93.03477	1.1
95.01396	3.6
97.02961	1.1
99.00900	6.1
101.02457	45.4
102.02826	1.3
108.04564	1.4
110.02482	1.0
111.00899	1.6
113.02469	18.8
117.70957	0.9
119.03536	3.7
125.02444	3.5
137.02431	1.0
138.05620	1.2
139.04025	1.8
139.07672	3.2
143.03534	1.7
145.02962	0.9
146.46979	0.8
157.08670	1.3
159.03011	1.6
161.02525	0.9
161.04605	9.8
163.04027	1.4
169.01439	1.4
178.05112	2.4
181.05135	1.0
187.12436	1.6
193.01556	1.2
194.04599	0.8
215.03514	1.1
231.11275	1.1
275.10339	2.8
275.14981	8.5
301.12518	1.0
319.04788	9.6
319.13983	100.0
320.05051	1.4
320.14407	7.8
322.57324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02983	0.6
53.06647	0.5
54.27648	0.5
55.01880	1.0
55.75706	0.5
57.03440	1.4
58.00596	0.7
59.01381	34.7
65.78583	0.5
71.01386	19.5
71.16264	1.3
72.99310	1.7
73.02956	1.9
83.01384	1.5
84.02203	0.5
85.02944	4.4
87.00874	1.7
89.02454	15.4
94.86270	0.6
95.01395	1.7
99.00871	0.7
101.02454	12.4
105.71679	0.5
106.66425	0.6
111.08172	18.2
113.02466	5.9
119.03506	5.0
120.49397	0.5
120.99709	0.5
125.09765	0.7
139.07690	4.4
141.09186	1.3
143.03592	0.7
152.53882	0.5
153.09227	1.7
157.08717	62.2
158.09058	3.5
161.04547	0.9
199.09773	1.9
224.10715	0.6
289.03656	0.6
304.06253	0.5
319.13980	100.0
319.21475	2.8
320.14304	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	319.14
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01883	1.2
57.03437	1.5
58.00587	1.6
59.01382	34.9
69.79406	3.1
71.01389	22.8
72.99311	1.6
73.02954	2.5
79.57954	0.3
82.87962	0.4
83.00939	0.3
83.01414	1.6
84.02194	0.9
85.02959	5.0
86.00131	0.7
87.00900	1.8
89.01906	0.8
89.02459	15.8
95.01400	1.6
98.19911	0.8
99.00920	0.7
101.02457	14.0
111.08179	18.3
112.08516	1.0
113.02464	7.7
119.03519	5.6
120.99690	0.6
139.07681	5.5
141.09227	0.9
153.09256	1.1
155.07201	0.7
157.08728	63.8
158.09071	3.2
161.04610	0.8
178.48820	0.4
179.05679	1.1
199.09740	2.2
257.12985	0.5
319.13998	100.0
320.14346	9.4
326.62396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0462
Annotation	Hovenitin III
Peak:m/z	Relative Intensity
51.91312	2.4
55.01872	2.5
57.03446	6.5
59.01374	29.7
61.98833	4.5
68.99807	4.0
69.03470	2.6
69.62976	5.1
69.63387	18.5
71.01392	10.8
72.99279	3.0
73.96145	2.2
74.86642	2.8
81.03458	5.6
83.01392	9.7
85.02990	4.6
86.58802	2.4
87.42513	2.9
89.02469	5.9
93.03475	4.2
95.01380	7.9
97.02959	5.2
99.00913	18.0
99.04523	3.1
101.02487	3.6
107.05035	4.2
109.02960	16.4
111.00890	11.0
113.02450	4.5
115.05551	5.7
117.03484	4.2
119.05051	7.2
120.99680	11.3
121.02966	10.0
121.06641	4.8
122.99269	10.1
123.00893	20.4
123.04530	4.0
124.01723	2.8
125.02462	83.5
126.02840	2.8
127.00368	8.8
129.01952	2.9
135.04538	5.5
137.02458	42.6
138.03267	10.4
139.00438	6.8
139.04048	5.2
140.07173	13.9
141.01961	58.9
143.05098	6.1
145.02969	9.1
147.04556	5.9
149.01372	2.6
149.02432	12.8
149.06099	3.3
151.00377	13.1
151.04024	5.3
152.01250	3.7
153.01947	68.5
154.02652	4.3
157.05139	3.8
157.06555	4.9
159.04561	16.7
161.02451	9.7
161.06067	11.8
163.00420	3.0
163.03981	5.7
165.01949	24.1
166.02649	7.4
167.03508	16.8
167.05017	7.9
169.03027	5.0
169.06567	5.5
171.04549	8.8
173.02451	8.4
173.06129	6.8
175.04050	8.1
176.01164	3.0
177.01944	73.1
177.05580	5.5
178.02420	3.8
179.03471	3.1
180.00670	6.2
180.91046	2.6
181.01469	9.1
182.02264	5.2
182.08116	3.2
183.04578	20.6
185.02460	4.8
185.06038	7.2
187.04021	23.5
188.04538	2.9
189.01880	12.3
189.05600	7.5
190.02669	8.9
191.03526	55.3
192.03917	4.1
193.01430	37.8
197.02435	6.3
198.03117	3.0
199.03995	6.7
201.01927	7.2
201.05571	8.5
203.03513	5.2
203.07210	2.4
204.03952	3.7
205.05087	10.0
211.04007	24.8
213.01988	5.8
213.05634	8.6
214.02737	12.1
215.03496	61.1
216.03661	3.1
217.01390	32.4
218.01971	3.7
219.03146	13.5
219.06609	8.8
221.04500	3.6
227.03563	4.8
229.01431	6.7
229.05069	22.5
230.05463	3.8
231.03036	8.3
233.04559	43.7
234.04846	5.2
239.03485	13.7
243.02759	2.7
247.02487	3.0
247.06091	9.1
255.02982	4.9
257.04520	34.2
258.04605	2.8
259.02557	3.6
273.04001	4.4
275.05627	26.4
283.02267	4.5
301.03522	100.0
302.03824	12.6
312.75150	2.5
319.04547	75.2
319.13831	4.2
320.04944	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	315.1085
Annotation	Taxicatin
Peak:m/z	Relative Intensity
54.49039	0.2
59.01381	0.2
70.89751	0.5
75.79908	0.2
81.03468	0.2
95.05049	0.4
101.02421	0.2
108.02153	0.3
109.03004	0.3
122.03752	0.5
123.04539	67.6
124.04875	3.0
150.01503	0.2
153.05591	100.0
154.05930	4.5
158.75400	0.2
166.85822	0.2
182.35210	0.2
201.11652	0.2
226.47870	0.3
287.71320	0.2
315.07388	0.5
315.10797	3.4
316.03271	0.3
316.11081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03440	1.1
59.01381	4.5
61.98816	0.3
65.00327	1.2
67.01897	0.7
68.99813	1.1
71.01382	1.9
71.70586	0.2
74.99101	0.3
81.03470	0.5
83.01393	7.9
85.02953	0.8
89.02449	0.8
93.03478	0.6
95.01355	0.3
96.04570	0.4
97.02971	0.4
101.02431	0.4
107.01400	2.1
107.05038	0.2
108.02198	0.9
109.02967	4.1
111.00906	0.6
112.04021	0.3
113.02464	0.4
113.59888	0.2
114.05614	0.2
118.98127	0.3
119.03509	0.2
120.99643	0.3
121.02938	0.3
123.00877	0.6
123.04548	2.3
124.01709	0.3
125.02460	6.7
126.02791	0.3
130.08755	1.7
133.02969	0.2
135.04517	1.1
136.99155	0.2
137.02440	0.6
139.04042	0.8
139.05051	0.3
143.11891	1.1
149.02426	1.2
151.00389	11.9
152.01196	1.3
153.01953	100.0
153.05463	3.9
154.02289	4.5
154.05991	0.2
156.03036	0.2
161.04568	0.3
165.01898	0.3
167.03529	2.0
169.01466	1.3
177.01947	1.3
179.05614	0.4
183.04193	0.3
187.10803	0.2
195.02992	3.5
196.03246	0.3
209.12959	0.4
212.01590	0.2
218.66399	0.2
251.07706	0.3
253.11925	0.7
269.11237	0.8
284.73001	0.2
297.10968	0.5
300.99918	0.4
302.03662	0.2
314.56519	0.3
315.07214	7.5
315.11642	1.8
316.03271	1.1
316.07608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.32000	0.5
57.13742	0.5
70.03626	1.6
70.04042	0.9
71.01381	2.4
71.57436	0.4
73.02969	0.6
81.03432	0.6
83.01413	0.5
85.02961	2.5
93.03476	0.6
95.01396	1.7
98.20592	0.7
101.02466	0.9
107.01360	0.6
108.02189	100.0
109.02986	33.6
109.05432	0.5
110.03308	1.2
113.02473	1.3
117.98395	0.4
121.03000	1.2
123.00925	1.4
123.04536	1.0
125.02429	0.7
133.02977	0.8
135.00980	0.5
151.00481	0.6
151.04018	1.4
152.01176	66.3
153.01965	28.2
153.02916	0.3
153.03267	0.7
154.02274	0.9
163.04030	1.4
165.01971	1.8
169.01453	1.2
214.42487	0.5
231.63582	0.4
308.38419	0.4
315.07211	86.2
316.07513	8.0
316.10883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.36559	0.4
59.01378	0.6
62.03218	0.4
70.08004	2.0
71.01390	2.1
72.48739	0.4
73.02948	0.7
81.03457	1.1
83.01408	0.6
85.02940	2.6
93.03461	1.1
95.01406	1.0
97.76435	0.4
101.02431	0.8
107.01430	0.5
108.02185	100.0
109.02998	25.2
110.03315	0.8
113.02468	0.8
121.02953	0.9
123.00890	1.0
123.04525	0.8
124.27983	0.4
125.02458	1.6
135.04497	0.5
147.15628	0.4
151.03993	1.0
152.01170	61.9
153.01973	20.7
153.05562	0.7
154.02281	1.0
163.03993	1.3
165.01933	1.5
169.01454	1.1
315.07199	73.2
316.07605	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	315.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59992	0.6
54.05911	0.6
55.14631	0.5
57.03431	0.7
59.01368	1.0
60.27465	0.5
63.83763	0.5
70.06032	3.2
70.06388	0.7
71.01392	3.1
73.02946	1.1
85.02959	2.5
89.02426	0.7
92.81516	0.6
93.03474	0.5
95.01389	1.6
95.40900	0.6
98.19916	0.6
99.00911	0.8
101.02456	1.9
108.02189	100.0
109.02991	32.5
109.03539	0.4
110.03320	1.5
113.02432	1.1
121.02947	1.5
123.00887	2.1
123.04543	14.6
125.02454	1.7
134.03656	0.6
141.01920	0.5
151.04022	2.1
152.01175	67.1
153.01970	29.5
153.05585	18.8
153.06850	0.8
154.02299	1.1
154.05937	0.9
163.04015	1.8
165.01979	1.8
167.03496	0.5
169.01450	1.9
195.03107	0.7
225.04071	0.8
315.07208	94.3
316.07547	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.051
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
59.01359	0.7
62.92341	0.3
63.02400	5.7
65.00322	3.6
67.87716	0.3
69.44516	0.8
69.44935	2.4
71.13691	0.3
80.35109	0.3
83.01395	4.9
95.01370	0.5
107.00690	0.6
107.01400	9.7
108.02206	2.3
109.02963	0.3
111.00831	0.4
120.02172	0.5
123.00876	1.1
123.89806	0.3
124.01689	2.3
125.02431	0.3
128.48801	0.3
135.00868	0.8
136.01620	1.0
137.02423	0.4
148.01685	4.4
149.99586	1.8
151.00389	17.4
151.72581	0.3
152.01126	0.8
163.00377	3.0
164.01178	4.8
169.01439	2.5
172.05370	0.4
176.01176	0.3
183.04591	0.5
187.04022	0.4
188.04674	0.3
192.00609	0.7
199.03931	0.5
200.04758	0.5
202.02817	0.3
211.03990	0.5
215.03464	0.8
216.04312	1.6
226.02512	0.4
227.03508	3.1
228.04189	0.6
229.01405	0.4
243.02945	2.3
244.03569	0.9
249.42070	0.3
254.02267	0.4
255.03011	2.9
256.03586	0.4
269.38312	0.3
271.02460	4.6
272.03229	1.5
283.02478	2.9
299.02005	1.1
300.02750	75.5
300.99609	0.4
301.03085	7.0
315.05081	100.0
316.05460	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	315.0504
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
57.01925	0.1
59.01368	0.3
59.85315	0.1
63.02405	1.6
65.00327	1.2
71.75864	0.2
74.41778	0.1
81.03426	0.2
83.01405	1.7
91.01922	0.3
98.96092	0.1
99.38811	0.1
107.01412	4.2
108.02205	2.4
109.02951	0.2
111.00848	0.2
120.02190	0.3
123.00876	0.4
123.04566	0.2
124.01657	0.9
125.02405	0.2
125.29064	0.1
126.42602	0.1
135.00914	1.4
136.01700	0.3
137.02446	0.2
146.65300	0.1
147.00941	0.3
148.01691	3.0
149.99594	0.7
151.00397	5.8
152.01025	0.4
153.01956	0.3
155.05035	0.1
159.04497	0.2
163.00383	2.5
164.01175	2.0
165.01746	0.2
167.03532	0.4
169.01436	0.7
171.04491	0.3
172.05318	0.2
174.03256	0.7
175.00311	0.2
175.03958	0.3
183.04524	0.7
184.05165	0.2
185.02412	0.2
187.04015	0.4
188.04781	0.3
189.01912	0.2
190.99828	0.4
192.00685	0.5
198.03192	0.4
199.04015	1.7
200.04726	0.6
201.01944	0.4
202.02704	0.6
203.03458	0.5
204.04277	0.4
209.04492	0.3
211.03976	0.9
213.01974	0.3
215.03458	1.0
216.04269	1.5
217.04988	0.2
219.06519	0.4
226.02696	1.5
227.03510	4.2
228.04211	1.1
229.01454	0.4
230.02180	0.2
242.02126	0.2
243.02982	18.4
244.03662	4.0
245.04106	0.2
254.02243	2.2
255.02975	26.1
256.03427	2.3
259.06097	0.9
270.05200	0.2
271.02466	53.6
272.03073	8.2
273.03522	0.5
283.02441	0.9
284.03235	0.2
286.98370	0.2
287.05612	2.0
299.01987	1.3
300.02750	61.7
301.03088	4.4
315.05090	100.0
316.05447	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	315.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.6
68.60870	0.2
68.99831	0.2
69.48917	1.8
71.05012	0.2
78.71986	0.2
93.89072	0.2
96.96079	0.2
98.19814	0.3
107.01371	0.2
108.02168	0.2
109.02961	0.2
113.80435	0.2
132.02188	0.3
139.00490	0.2
144.02168	0.2
147.00914	0.3
148.01715	0.4
151.00401	0.3
151.11285	0.2
152.01195	0.3
153.01993	0.8
159.01021	0.2
160.01649	1.1
163.00272	0.2
172.01672	1.5
176.01169	0.5
179.10808	0.6
187.00427	0.3
187.07732	0.2
188.01222	1.1
191.60051	0.2
192.00664	0.2
194.60670	0.2
197.11836	3.5
198.12234	0.3
199.00304	0.2
200.01140	2.5
201.01608	0.2
214.99785	0.4
216.00641	4.2
217.01082	0.4
226.99896	0.6
228.00610	0.7
230.99263	0.5
241.00443	0.3
241.10767	0.7
242.99352	2.3
243.01999	0.2
244.00075	3.0
245.00615	0.3
259.02496	0.2
270.98856	1.5
271.02451	0.5
271.10623	0.3
271.99524	0.7
281.54318	0.2
282.98853	0.7
286.98431	0.2
287.01993	0.3
298.98428	1.6
299.99106	100.0
300.99460	9.8
301.02164	0.2
315.01456	60.9
315.14316	1.9
316.01785	5.8
316.05536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0147
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
54.05738	0.2
55.08965	0.2
59.01337	0.3
69.66572	0.5
69.66990	0.9
78.96461	0.2
108.02138	0.5
132.02138	0.6
144.02135	0.3
148.01617	0.2
152.01302	0.2
155.18080	0.2
159.00737	0.3
160.01630	0.8
163.00461	0.3
169.01405	0.4
172.01694	1.4
176.01134	0.3
187.00290	0.2
188.01201	0.9
199.09660	0.3
200.01166	2.7
215.00024	0.2
216.00639	3.7
226.99815	0.7
228.00610	0.8
230.99371	0.3
232.00023	0.2
242.99338	1.6
244.00095	2.9
245.00365	0.2
253.08795	0.2
270.98788	1.1
271.02319	0.3
271.99628	0.9
272.02530	0.3
282.98901	0.4
298.98355	1.5
299.99112	100.0
300.99454	9.8
315.01462	55.3
316.01816	5.8
316.05551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2749
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
54.01248	0.4
57.03454	10.3
59.01377	0.7
61.98829	1.4
63.57100	0.5
69.03452	3.4
69.46797	0.5
70.57663	1.6
73.36656	0.5
74.99078	0.7
91.02218	3.8
93.00186	1.1
133.32130	0.5
135.74976	0.5
251.23700	0.9
265.25449	0.6
267.26926	50.3
268.27353	4.1
295.26474	2.8
296.26810	0.7
313.27496	100.0
314.27838	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	313.2386
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
51.28445	0.4
53.21436	0.4
57.03447	0.6
59.01376	1.1
61.98836	0.8
72.66673	0.5
91.02241	0.4
95.83490	0.4
98.20667	0.8
100.36956	0.4
101.02491	0.5
139.39565	0.4
157.40648	0.5
184.01636	0.5
185.00700	2.7
192.92035	0.4
249.22273	1.0
251.23796	63.0
252.24112	7.2
253.09302	1.0
269.24814	1.7
295.22806	23.6
296.23209	3.1
313.16815	6.6
313.23849	100.0
314.16956	0.9
314.24228	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	313.2384
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
54.05248	0.4
55.47943	0.4
57.86657	0.4
59.01385	3.0
61.98813	0.6
68.22700	0.4
71.01368	0.5
82.97436	0.4
93.18160	0.4
117.03506	0.8
121.02953	1.2
125.09734	0.7
125.73354	0.4
127.11252	0.8
137.31265	0.5
139.11302	0.9
141.12819	0.9
145.02963	6.6
155.10837	2.9
157.12349	0.6
160.98277	0.5
167.97282	0.4
171.10291	4.2
199.13364	0.9
253.09274	1.4
267.23169	0.6
269.24878	0.5
277.21689	0.6
280.98209	0.5
295.06064	1.5
295.22806	7.6
296.23160	0.6
311.22183	1.2
313.14438	5.9
313.23831	100.0
314.14658	1.0
314.24197	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	313.0929
Annotation	Pungenin
Peak:m/z	Relative Intensity
55.01863	0.4
56.40903	0.4
57.03442	0.5
57.20940	0.3
57.34497	0.3
57.75499	0.4
58.00590	1.0
59.01382	15.8
59.10329	0.3
60.01715	0.4
65.00337	2.3
70.54128	1.5
71.01389	16.7
72.99324	1.1
73.02950	1.7
74.02492	0.5
74.99088	0.4
75.00883	0.5
83.01403	2.3
83.05038	0.4
85.02967	4.0
87.00900	0.8
89.02451	9.6
93.03510	0.4
95.01414	1.0
97.02965	0.6
99.00892	1.4
101.02454	8.9
107.01393	4.5
107.05048	26.4
108.05370	1.4
109.02968	3.5
111.00934	0.5
113.02469	6.5
115.00413	0.4
115.95176	0.4
119.03528	4.8
120.99717	0.4
121.03004	2.1
122.03802	0.6
123.00889	1.9
124.01684	0.8
125.02470	6.0
131.01401	0.9
131.03477	0.7
135.08185	1.2
136.07742	0.3
137.02480	0.6
139.00339	0.5
143.03578	0.6
150.03256	1.1
150.06892	0.8
151.00443	10.9
151.04039	100.0
152.04367	4.3
153.05606	1.7
159.03024	0.7
161.04582	4.1
163.03896	0.4
169.01442	7.9
169.02798	0.7
170.01784	0.5
175.00406	2.7
179.05692	0.8
179.07152	0.6
186.11455	0.5
193.01460	0.5
197.04581	3.5
213.44185	0.4
241.03600	0.4
270.13406	0.5
300.99905	0.5
302.00360	0.4
313.05688	9.7
313.09360	11.9
314.06104	1.1
314.09726	1.1
314.12677	0.9
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
51.31707	0.3
55.01872	0.8
57.03432	0.8
59.01382	3.6
70.77259	0.3
71.01385	17.7
71.74182	0.8
72.01699	0.4
72.99301	0.6
73.02955	4.5
78.58141	0.5
83.01370	1.8
85.02959	6.9
87.00872	0.7
89.02451	1.0
95.01402	1.0
99.00899	2.3
101.02453	9.3
102.02800	0.5
107.05041	100.0
108.05379	4.0
113.02464	8.0
115.04054	0.3
121.02973	0.7
125.02458	2.9
143.03514	0.9
151.00383	0.6
151.04013	7.6
151.07637	0.5
151.59253	0.4
153.05603	0.4
159.02991	2.1
161.04568	10.8
162.04901	0.5
165.05690	0.7
169.01447	3.7
183.71924	0.3
197.04585	0.8
200.42828	0.3
313.05640	3.6
313.09369	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	313.0929
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
55.01862	2.4
55.80839	1.0
57.03442	1.7
58.00587	3.9
59.01380	100.0
69.73229	8.0
71.01389	70.3
72.01707	1.4
72.99313	5.1
73.02961	6.1
74.02474	1.2
75.00894	1.4
77.98423	1.0
83.01384	3.5
85.02961	15.3
87.00890	2.9
89.02457	62.4
90.02789	1.7
95.01402	5.7
99.00888	3.5
101.02456	48.6
102.02953	1.2
107.05042	72.8
108.05350	3.6
113.02466	28.1
116.79227	1.1
119.03522	33.7
120.03895	1.3
121.02969	2.0
123.00896	2.1
125.02451	7.9
131.03514	3.4
139.04027	1.2
143.03510	3.7
151.00406	1.8
151.04060	7.0
161.04584	10.6
169.01414	8.1
173.42810	1.2
179.05614	4.4
193.05080	1.2
197.04607	1.4
312.99905	1.3
313.05640	9.0
313.09305	18.1
314.06198	1.7
314.09573	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	313.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03445	5.4
59.01377	6.5
61.98826	1.2
67.01902	0.9
68.99812	1.6
69.03458	3.2
71.01388	7.1
71.71446	1.2
72.99318	4.7
73.02943	1.0
81.03448	0.7
83.01388	2.0
85.02438	0.8
85.02956	15.2
87.00889	2.1
87.04508	1.7
89.02460	1.6
93.03476	1.2
95.01395	0.6
97.02965	4.1
99.00879	3.7
101.02459	1.6
107.01431	0.7
111.00889	1.6
113.02489	1.7
115.04033	3.4
115.52570	0.5
121.02972	100.0
122.03286	4.3
123.00913	0.8
125.02474	2.0
129.01959	14.0
133.02925	0.7
134.72244	0.6
135.04524	0.8
136.05354	1.6
141.01965	3.1
151.00322	1.0
159.03033	1.4
165.00177	0.7
166.00945	1.5
167.07210	0.8
169.01416	2.5
173.04547	0.9
180.04247	2.2
180.99657	0.6
181.03340	1.9
189.05688	0.7
191.05635	14.1
192.05984	1.0
199.13383	2.0
225.02200	1.0
253.09396	0.9
269.17581	1.0
270.98843	2.1
298.98404	1.5
313.05984	1.7
313.09314	17.5
313.12689	1.9
313.16626	4.4
314.00684	1.5
314.09729	1.7
314.17130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2592
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
50.70804	0.6
56.92599	0.4
59.01376	4.3
61.98817	0.6
63.02674	0.5
83.95838	0.5
93.59690	0.6
117.74942	0.5
183.01208	14.1
184.01701	1.0
192.60078	0.5
197.02791	0.6
221.56015	0.6
228.46240	0.5
229.24185	0.6
251.11446	0.7
267.26993	1.7
293.24948	1.2
311.16882	24.6
311.25916	100.0
312.17206	3.5
312.20407	0.6
312.26242	11.8
312.29602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0567
Annotation	Norbergenin
Peak:m/z	Relative Intensity
54.38181	0.6
57.44352	0.6
59.01118	0.9
59.01379	9.5
61.98828	0.6
63.02403	0.8
71.01386	28.9
71.72296	0.8
72.99313	1.0
73.02951	1.6
76.76866	0.7
82.71311	0.6
83.01383	1.5
85.02951	2.0
87.00856	1.0
89.00343	2.3
89.02457	8.9
91.01889	1.2
97.02974	0.8
99.00893	1.9
101.02457	5.0
106.00632	3.7
109.02968	1.6
111.00925	1.4
112.23865	0.7
113.02441	3.3
115.00396	10.6
119.03534	3.7
121.02972	43.3
122.03310	1.9
123.00903	3.2
125.02484	4.6
127.00393	1.2
136.98846	0.8
138.03220	3.1
139.00359	1.2
139.07620	0.9
142.99847	1.1
151.00380	0.7
151.03995	1.2
151.06133	3.3
151.07632	1.7
153.05591	33.3
154.05925	0.8
161.04616	1.2
161.42200	0.7
166.99832	1.6
169.01447	5.9
179.05641	3.0
179.07117	0.8
182.02234	5.5
197.04562	100.0
198.04861	6.0
198.59634	0.6
206.08182	0.7
241.03714	0.7
253.09381	0.9
313.00064	4.7
313.05753	6.8
313.08685	1.6
313.11768	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	311.2229
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.92624	0.7
59.01379	15.8
61.98831	1.0
69.03468	0.7
71.01372	1.0
71.75565	1.1
83.05035	0.9
97.06602	10.1
100.99520	0.6
101.06079	0.7
127.88395	0.7
183.13902	10.2
195.13914	25.8
196.14265	1.7
206.67810	0.9
211.13396	24.1
212.13687	1.3
213.14983	13.3
251.11420	1.8
263.20157	11.5
264.20547	1.0
281.21231	1.9
293.21216	1.6
311.22275	100.0
311.29486	3.9
312.22620	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.82543	0.2
57.03440	1.1
58.28138	0.3
59.01380	4.9
59.32227	0.2
61.98826	0.3
63.92586	0.3
69.03474	0.3
71.01379	0.4
71.05029	0.3
71.66251	0.5
83.05064	0.3
95.05050	0.3
97.06616	0.6
125.06104	0.5
125.09745	3.0
127.11301	0.4
134.45546	0.3
139.11295	1.4
141.09236	1.9
141.12863	0.9
143.10773	0.3
153.09221	0.9
155.10786	0.4
155.14452	1.8
157.12355	0.9
157.28978	0.3
167.10765	0.9
169.08830	0.3
169.12294	0.4
171.10350	1.7
177.67638	0.3
181.16057	0.4
183.01219	0.7
183.13905	0.5
184.58992	0.3
199.09787	0.8
200.10588	2.0
239.23749	0.4
249.22217	6.8
250.22470	0.7
251.11272	0.7
265.21689	1.3
267.23288	4.5
268.23758	0.5
275.20132	0.9
283.22800	0.4
285.90256	0.3
287.66321	0.3
293.21219	8.3
294.21606	0.7
311.22272	100.0
312.22601	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	311.2227
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.12951	0.5
56.73179	0.4
57.03438	1.3
58.00584	0.4
59.01379	5.8
69.03451	0.8
71.01376	0.7
71.65939	0.5
71.66371	0.6
83.05058	0.4
91.54042	0.4
96.74077	0.4
97.06622	0.6
99.08159	1.5
101.02437	0.5
111.08196	0.5
113.09734	1.8
121.10240	0.7
123.08187	0.8
125.09742	1.2
127.07672	0.6
127.11305	3.6
129.09221	3.5
137.09727	0.8
139.11296	7.9
151.11339	0.8
153.09213	0.5
155.10811	1.4
163.11293	0.5
167.10788	0.9
169.12332	1.9
171.10283	31.6
172.10660	2.1
181.12334	2.8
183.10283	2.6
183.13954	0.4
185.11845	4.9
186.12050	0.6
193.12323	1.1
197.11847	3.7
198.12036	0.5
199.13370	1.9
201.11334	5.3
211.13396	9.7
212.13692	0.7
251.11282	0.6
261.18936	0.4
265.21652	0.6
275.20087	2.6
276.20422	0.6
293.21198	13.9
294.21484	1.4
311.22266	100.0
312.22617	12.4
312.26349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.72723	0.6
57.03439	1.7
59.01383	5.3
62.74013	0.5
67.55329	0.6
69.03462	0.7
71.44689	1.1
83.05031	0.8
93.02435	0.7
99.08148	1.3
105.09293	0.6
106.66658	0.7
113.09722	1.7
125.09743	1.8
127.11301	2.8
129.09221	2.3
139.11299	8.0
143.94118	0.6
151.11252	0.9
153.12810	0.8
155.10797	2.1
162.54282	0.6
169.12343	1.1
171.10283	39.3
172.10580	2.2
181.12315	1.6
183.10237	3.9
183.13913	1.1
185.11830	8.7
193.12367	2.3
197.11853	3.1
199.13420	2.0
201.11359	5.7
211.13383	8.0
249.22380	0.8
275.20267	3.6
276.20517	0.7
278.99432	0.6
285.69568	0.7
293.17850	1.0
293.21207	20.0
294.21545	2.2
311.22275	100.0
312.22598	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	311.2228
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
57.03438	1.5
59.01376	10.0
59.34176	0.5
61.98827	1.1
71.01378	1.1
71.05025	0.9
83.05015	0.6
87.98201	0.5
94.68322	0.6
97.02978	0.7
97.06570	0.7
98.19737	1.0
99.08185	0.9
101.02428	0.7
113.02496	0.6
113.09727	2.4
113.49179	0.5
121.10223	0.9
125.09755	0.8
127.11262	0.6
129.09256	1.0
139.11314	4.3
139.12230	0.7
151.11261	0.8
153.12834	0.5
154.10025	0.7
162.46008	0.6
165.12822	0.7
167.22626	0.5
171.10281	9.1
177.12846	1.4
181.12363	0.5
183.01257	0.5
183.13875	0.7
185.11861	1.0
193.12379	2.9
195.13902	1.7
196.14508	0.7
197.11815	1.9
211.13380	5.2
212.13783	0.6
249.22273	1.6
251.11375	1.7
262.42596	0.5
267.23434	0.7
275.20187	0.8
293.21204	49.7
294.21494	5.9
311.22253	100.0
311.29712	2.1
312.22635	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	311.2228
Annotation	9(S)-HpODE
Peak:m/z	Relative Intensity
55.45856	1.2
57.03450	2.2
59.01388	7.8
60.21965	1.1
61.98795	1.5
66.46935	1.1
71.01386	1.4
74.33584	1.3
77.90841	1.3
79.95737	2.0
92.84645	1.4
93.03488	1.3
97.06593	3.0
119.05023	1.7
123.08221	1.4
125.09753	8.7
127.37901	1.5
141.12854	2.9
149.09706	3.2
181.12672	1.5
183.01222	48.5
184.01637	2.4
185.11850	25.3
197.02806	4.1
197.11891	4.2
200.03087	1.2
211.13280	1.5
229.77512	1.3
249.22318	2.7
251.11319	1.6
266.10083	1.4
293.21210	91.5
294.21594	9.4
311.16870	100.0
311.22568	3.4
311.29251	2.2
312.17276	11.2
324.60764	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	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03444	1.1
59.01374	12.7
61.98841	0.8
71.01386	0.9
95.01453	0.9
98.54791	0.8
136.76799	0.8
144.27960	0.8
155.14421	1.1
161.04575	0.9
174.23097	0.9
175.35405	0.7
176.23393	0.7
183.01234	5.3
197.02768	3.0
211.55605	0.9
229.46992	0.9
237.63966	0.8
249.22220	49.0
250.22557	4.7
251.11292	1.9
267.23355	1.9
293.21213	20.9
294.21503	1.9
311.05505	1.0
311.16998	16.5
311.22272	100.0
311.29709	2.9
312.17108	2.7
312.22595	13.9
322.38547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03440	1.9
59.01379	5.6
69.55975	5.2
71.01404	0.6
78.99957	0.6
80.02763	0.6
83.05020	1.0
84.93034	0.6
97.02988	1.1
97.06581	1.2
99.08201	1.4
106.55518	0.7
109.06613	0.8
113.09721	5.8
118.58429	0.6
121.10228	2.1
125.09699	1.8
127.11290	1.7
128.34424	0.6
139.11307	23.3
140.11604	1.4
153.09172	0.9
155.10750	1.4
165.12822	0.7
167.10817	1.1
171.10291	29.4
172.10661	1.2
179.10747	0.9
179.37003	0.5
180.33456	0.6
183.13959	0.8
185.11864	2.0
193.12390	1.2
195.13911	1.7
197.12025	0.7
201.11298	1.3
211.13423	4.8
249.22231	1.0
251.11372	1.3
256.56253	0.6
265.21561	0.7
271.69455	0.7
275.20096	2.1
293.21213	26.8
294.21573	2.9
311.22275	100.0
312.22586	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	311.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71980	0.2
63.57372	0.2
79.95702	1.1
96.96025	0.3
98.95625	1.1
115.35586	0.2
119.05024	1.0
119.25118	0.2
168.37788	0.2
170.00439	1.3
183.01222	49.0
183.76630	0.2
184.01895	3.7
197.02817	2.5
198.03496	0.5
211.04332	0.3
216.00993	2.2
225.05896	0.8
230.02457	0.6
239.07394	0.8
247.20662	0.6
253.08974	0.2
311.16855	100.0
312.17194	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	311.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01721	1.1
69.61082	0.8
69.61496	4.0
71.01390	10.7
73.02956	4.3
73.23766	0.6
83.01384	1.3
85.02957	3.9
87.87460	0.6
89.02465	1.9
97.02985	0.6
98.19832	1.0
99.00908	1.6
101.02458	8.6
112.70950	0.5
113.02441	3.6
135.04663	0.6
143.03508	0.7
149.06075	1.0
159.03035	1.1
161.04582	10.4
165.22195	0.5
189.05670	1.4
251.11357	27.6
252.11752	1.7
311.13202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77526	0.4
55.01877	0.7
57.03438	0.6
59.01381	100.0
60.01719	1.6
61.98824	1.9
69.83397	2.2
71.01385	9.6
72.01738	0.4
72.99329	0.4
73.02968	3.0
75.00879	0.7
75.42747	0.4
83.01410	1.1
85.02962	3.8
86.42340	0.3
87.00902	1.5
89.02458	3.4
90.47396	0.3
93.03477	0.6
95.01425	0.5
98.19848	0.4
99.00922	1.5
99.96301	0.5
101.02456	9.1
101.03081	0.7
109.02978	1.1
113.02463	3.8
119.03542	1.7
122.06142	0.5
124.79735	0.4
129.24385	0.4
131.03539	0.6
134.04768	0.8
135.04543	1.8
143.03583	0.6
147.04523	0.5
149.06107	1.1
150.05629	2.4
159.03062	0.8
161.04608	6.8
161.06027	0.9
171.04523	0.6
171.76244	0.4
177.05621	2.2
179.05666	0.4
189.05611	5.4
190.06085	0.7
191.05623	0.7
207.06660	0.7
221.04648	1.4
251.11360	23.3
252.11761	1.4
254.57088	0.4
288.69757	0.4
311.07138	0.6
311.10138	0.8
311.12875	2.1
312.11023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04455	0.5
55.01886	0.7
57.03450	0.7
59.01381	100.0
60.01714	1.6
71.01387	9.3
71.18238	1.3
71.18574	0.8
73.02959	2.9
75.00870	0.7
83.01396	1.8
85.02958	4.6
87.00914	0.6
87.04501	0.6
88.62016	0.6
89.02466	2.4
95.01392	0.8
96.97365	0.8
99.00909	1.4
101.02459	10.5
111.59359	0.7
113.02467	4.3
119.03535	0.6
135.04504	0.7
148.21820	0.5
159.03070	0.9
161.04602	9.2
161.05864	1.1
189.05589	1.6
251.11362	28.9
251.30205	0.5
252.11736	1.4
311.12717	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	311.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03445	0.7
59.01381	100.0
60.01690	1.2
61.98837	0.8
70.88210	0.7
70.88554	1.4
71.01383	8.7
73.02952	3.7
78.18189	0.5
83.01419	1.8
85.02958	3.3
89.02457	2.6
99.00899	1.2
101.02452	7.7
103.29467	0.5
105.04501	0.5
109.02998	1.1
113.02467	4.1
119.03558	0.7
135.04550	1.1
143.05061	0.8
149.06177	0.9
159.03142	0.7
161.04587	9.6
161.06030	0.8
164.79214	0.6
171.04587	0.9
177.05592	1.5
189.05563	4.6
251.11340	23.9
252.11716	2.3
311.07672	1.0
311.13110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0983
Annotation	Vicianose
Peak:m/z	Relative Intensity
50.49199	0.6
55.01883	2.4
57.03441	2.5
58.00595	3.5
59.01381	97.7
60.01721	1.9
69.03460	5.5
71.01387	51.4
71.67068	0.7
71.67451	0.8
72.01719	1.1
72.99323	3.8
73.02956	6.2
75.00877	4.7
81.35078	0.6
83.01385	4.0
85.02962	12.0
87.00883	4.1
87.04549	1.7
89.02454	57.6
89.15105	0.5
90.02808	0.7
95.01415	2.6
99.00910	1.9
101.02457	35.8
101.06087	0.6
102.02811	1.0
103.04020	0.6
105.01968	2.0
113.02467	19.7
113.03230	1.0
114.02859	0.9
119.03522	21.6
122.06174	2.2
131.03529	5.2
136.07742	1.3
143.03577	3.0
145.89977	0.5
146.36034	0.6
147.06694	1.6
149.04610	2.2
149.08200	11.1
150.05640	6.3
159.02975	0.8
161.04587	7.0
174.79362	0.8
174.80920	0.7
177.05632	0.8
179.05661	5.2
179.07103	1.0
189.05592	1.2
251.11435	1.3
311.09930	100.0
311.13516	23.1
312.10556	10.0
312.13971	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	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78790	0.4
59.01377	6.6
68.88046	0.4
69.03459	1.3
71.01044	0.6
71.01376	2.9
71.06380	1.1
83.01392	0.9
85.02930	0.7
89.02397	0.5
93.03470	1.9
97.02950	2.4
99.00864	0.6
101.02454	0.8
107.05013	0.9
109.02972	13.7
110.03297	0.8
111.00905	2.1
113.02468	0.6
119.05037	0.6
121.06581	0.8
123.04565	1.2
124.01633	0.6
131.05054	0.7
133.02971	1.3
133.06616	0.9
134.03748	0.7
135.04543	25.7
136.04881	1.2
137.02478	0.8
143.05048	11.7
143.06190	0.6
144.05452	0.6
145.02994	1.3
145.06575	1.4
146.03729	1.8
147.04515	1.8
148.05322	1.5
149.02444	0.8
149.06104	14.4
150.06462	0.9
151.04001	1.6
158.03839	0.6
159.04521	3.8
160.05254	0.8
161.02443	1.7
161.06096	16.4
162.03122	0.5
162.06467	0.9
163.04025	0.9
163.07571	1.0
165.05569	3.5
171.04536	15.9
172.05164	1.7
174.03227	5.4
175.03941	1.2
176.04724	0.9
177.05588	24.4
178.05931	1.2
179.03564	2.6
187.03969	0.7
188.04765	2.5
189.05591	100.0
190.05923	7.3
191.03596	1.0
191.05600	6.8
207.06633	10.8
219.06572	0.7
221.04553	11.8
221.06537	1.0
222.04976	0.8
231.06677	1.7
233.04492	0.7
239.05565	0.6
249.07657	1.0
251.05670	1.1
251.11269	0.8
267.08701	2.3
311.07648	8.3
311.29593	0.6
312.08102	1.0
316.83069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.28344	1.4
57.03456	2.3
58.79679	1.3
59.01382	9.5
61.98843	1.6
63.73639	1.3
69.03452	1.5
69.22672	1.2
70.40132	1.4
70.41106	1.2
71.01354	2.1
71.05016	12.8
71.68467	1.3
83.05029	1.6
95.05029	1.4
96.20370	1.2
96.96010	3.4
97.02921	2.9
97.06598	5.6
101.02411	1.2
111.08162	3.0
121.10269	3.3
123.08186	1.8
125.09708	3.9
127.11284	1.7
135.08147	1.9
137.08746	1.7
137.09753	16.4
165.12834	1.7
167.00017	1.2
171.10283	47.9
172.10571	2.1
185.11771	6.7
193.12473	1.3
193.15938	1.3
195.13808	1.4
197.11897	8.7
207.13905	1.9
211.13280	2.1
219.13989	1.3
233.15424	3.0
237.56407	1.4
247.20638	3.8
251.16539	16.5
252.16884	1.5
265.18091	2.1
273.18661	1.4
288.52258	1.4
291.19647	60.2
291.22943	2.9
292.19928	6.5
309.03894	5.1
309.17419	4.6
309.20694	100.0
310.20999	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	309.2073
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03426	1.1
58.35965	0.5
59.01381	1.9
63.66925	0.5
67.01900	1.3
69.03467	0.8
71.01380	0.6
71.46122	0.8
83.05038	1.2
95.05039	0.9
96.96029	1.4
111.08163	3.8
121.10261	9.5
122.10631	0.5
125.09735	7.1
137.09758	6.2
141.12857	0.7
147.08215	1.0
167.14442	1.3
171.10275	12.0
172.10547	0.6
177.12895	0.6
179.10849	0.5
185.11844	8.6
195.13911	1.9
197.11858	5.1
209.11884	0.9
211.13406	57.5
212.13741	3.3
247.20805	1.5
273.18536	1.2
291.19650	100.0
292.19989	9.7
309.17343	0.8
309.20645	6.9
310.20752	0.6
328.51355	0.5
333.34421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
57.03438	1.0
59.01377	1.2
67.19292	0.5
69.03450	0.7
70.45997	2.1
73.32848	0.4
78.72246	0.5
83.05032	1.0
97.06599	1.2
97.48340	0.5
97.48962	0.5
98.20557	0.6
110.14220	0.4
121.10226	0.5
123.08163	1.5
125.06113	0.8
125.09721	5.1
127.11308	1.5
137.09724	1.3
139.11295	0.8
141.09213	1.8
151.04024	0.5
151.07642	1.4
152.08441	0.6
153.09193	1.6
153.12854	0.6
155.10732	1.4
155.14511	0.6
165.09343	0.6
171.10266	5.0
183.13910	1.1
185.11823	1.3
197.11848	1.1
199.09792	5.1
200.10568	5.8
200.33299	0.5
201.11383	4.4
209.15486	1.5
211.13420	0.7
213.11359	0.9
215.12943	0.8
247.20668	4.5
265.21634	2.0
273.18491	0.9
274.10971	0.5
281.21146	1.1
291.19687	12.5
292.19876	1.6
309.20697	100.0
310.17828	0.6
310.21030	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	13.8
59.01367	16.3
61.59830	5.6
66.72607	4.9
67.11225	4.8
70.40469	25.0
83.56349	6.0
88.09598	4.6
92.16198	5.9
97.06602	16.5
111.08156	6.4
119.08685	21.9
121.10237	68.5
123.08152	6.4
125.09730	34.8
137.09738	8.7
151.07654	11.5
152.08360	8.0
153.12900	7.8
171.10237	34.9
178.02295	5.1
178.56706	5.2
180.24229	5.4
183.13925	20.4
185.11836	74.7
197.11848	23.4
209.11867	7.6
209.15405	7.8
211.13362	24.2
223.13483	7.4
247.20750	7.1
273.18478	12.0
275.20132	15.3
291.19635	100.0
292.19992	7.6
309.17096	22.2
309.20700	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46952	1.1
55.60491	1.0
57.03432	2.9
59.01368	5.1
67.01899	1.9
69.03455	1.7
71.05025	1.5
71.31566	2.6
73.02940	1.1
80.02687	9.6
81.03468	3.7
83.05030	27.5
84.02174	10.4
95.05044	2.7
96.96011	1.4
97.02972	1.9
97.06579	4.4
99.08152	9.2
102.83505	1.5
109.06621	3.0
111.08136	1.4
113.09727	3.1
115.07658	5.1
119.05045	1.4
123.04527	3.6
123.08128	1.6
125.09698	6.6
127.11287	5.1
137.08731	2.5
137.09743	47.4
138.10065	1.6
139.11290	9.5
142.02713	1.4
144.95738	1.2
145.02965	2.6
147.81409	1.1
151.03998	2.5
151.07669	4.9
151.11276	5.6
152.08453	3.1
153.09224	7.8
153.12846	1.2
155.10803	51.4
156.11118	2.2
163.11322	1.8
165.12856	1.6
167.10756	4.8
169.12325	2.3
171.10287	52.8
172.10565	2.3
177.41364	1.3
180.04160	1.3
183.10123	1.5
193.12347	27.8
194.12715	2.0
195.13829	1.6
197.11772	1.5
209.11821	3.2
209.15443	9.2
211.13414	7.2
223.17041	1.7
247.20610	7.8
251.16699	1.3
263.20059	6.1
264.20288	1.4
265.18774	1.2
265.21674	8.4
273.18585	2.2
281.21057	1.7
291.19656	100.0
292.19943	13.7
309.17285	18.5
309.20682	89.3
309.67950	4.5
310.17795	2.4
310.21005	10.2
314.93408	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
59.01358	1.7
63.88024	0.8
68.31323	0.9
69.58558	0.9
70.98084	2.1
70.98448	1.4
73.81321	0.9
81.88006	0.8
109.06578	1.6
111.08165	26.7
112.08511	1.3
122.02751	0.8
127.07697	1.9
141.09229	0.8
151.11324	1.8
153.12897	1.6
167.10803	0.9
169.12314	6.5
171.10277	1.1
181.12366	1.9
183.13928	1.0
193.12332	1.3
197.11838	100.0
198.12146	6.6
199.13385	3.7
209.15309	1.1
211.13416	10.3
227.12810	3.7
245.96733	0.8
255.14554	0.9
256.98544	1.0
259.68106	1.0
263.20108	8.9
265.17960	1.5
273.18546	1.4
284.63678	1.0
291.19617	20.4
292.20029	1.9
309.17276	2.5
309.20679	42.7
310.21008	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	309.2071
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
51.95273	0.9
56.42133	0.9
57.24026	0.9
58.00583	1.2
59.01360	1.8
69.03443	0.9
83.05018	1.2
98.20723	2.1
109.06626	0.9
111.08171	33.8
112.08513	2.2
127.07645	2.1
151.11221	0.9
151.47952	0.8
153.12849	1.5
169.12326	6.5
171.10271	1.2
179.10826	1.6
181.12383	2.3
183.13908	1.8
197.11838	100.0
198.12144	6.1
199.13362	3.7
209.15434	1.3
211.13406	10.5
212.13966	0.9
212.32640	0.9
227.12830	3.6
229.44524	1.0
263.20187	4.1
265.18079	2.9
273.18597	1.4
291.19626	21.3
292.20032	2.2
309.17365	1.8
309.20694	38.5
310.21069	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	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01881	0.9
57.03436	1.0
58.00599	2.3
59.01383	59.0
60.01714	1.0
71.01390	28.6
71.05029	1.1
71.42692	0.7
71.43018	0.7
72.01723	0.8
72.99301	1.8
73.02945	1.6
75.00879	2.4
83.01389	1.7
85.02950	5.9
87.00867	1.1
89.02458	30.5
90.02807	0.9
95.01406	2.3
101.02460	20.8
102.02816	1.0
113.02466	11.0
114.86539	0.4
119.03518	14.7
120.99718	0.5
129.05649	1.0
131.03511	0.8
143.03546	1.3
147.06635	3.4
149.04565	0.8
161.04549	1.4
179.05641	2.2
184.29431	0.4
237.06241	1.3
309.11920	100.0
310.12302	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.17592	1.2
55.43029	1.3
57.03434	2.6
59.01375	4.0
69.03448	5.2
69.30856	1.1
78.38070	1.1
79.43101	1.2
85.42391	1.2
97.02948	3.1
108.05885	1.6
111.08163	3.2
119.08685	16.8
121.10217	1.3
125.09754	6.6
127.11340	2.9
135.08162	2.5
137.08708	2.5
137.09734	31.2
139.11288	1.7
151.04056	3.9
151.07629	4.9
151.11308	1.5
152.08421	4.4
155.10809	5.1
167.10800	3.5
171.10286	100.0
172.10590	7.4
183.10243	5.4
184.07341	1.5
185.11833	23.6
186.12183	2.0
195.10255	1.5
197.11803	9.6
201.11304	7.0
208.10817	1.4
209.15498	6.7
211.13438	2.1
213.11346	8.1
214.11691	1.5
229.19614	3.1
229.79713	1.5
265.18094	2.0
273.18567	9.0
291.19656	40.7
292.19958	6.8
309.17068	12.6
309.20685	49.6
309.23529	1.8
310.21097	6.8
331.03958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01854	0.6
57.03447	0.9
58.00576	1.0
59.01382	44.4
60.01726	0.5
69.79842	0.4
69.89697	2.7
71.01389	22.2
71.05019	1.8
72.99313	2.1
73.02954	2.9
75.00882	15.8
75.22704	0.4
81.71371	0.4
82.95475	0.4
83.01395	1.8
83.05042	0.5
85.02963	5.8
87.00870	0.9
89.02454	22.0
89.07772	0.4
90.02840	0.5
95.01399	1.7
98.20518	0.5
99.00898	1.2
99.04527	1.5
101.02463	14.8
101.06099	2.7
111.04493	0.5
113.02464	9.0
117.01961	3.4
119.03526	9.5
129.01961	0.7
129.05594	8.8
130.53261	0.4
136.99155	0.8
143.03505	0.8
147.06651	13.0
159.97716	0.4
161.04529	1.0
179.05643	1.3
237.06175	7.9
238.06564	0.5
241.46068	0.5
309.11917	100.0
310.12238	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99649	0.6
51.42979	0.6
55.01867	0.7
57.03443	1.1
58.00578	1.4
59.01381	59.1
60.89800	0.6
61.98804	0.9
66.57629	0.6
70.78099	2.2
71.01389	26.2
71.05015	1.5
72.01745	0.6
72.99316	2.2
73.02946	3.4
74.08444	0.6
75.00880	3.3
81.03443	0.8
83.01391	1.9
85.02963	6.7
87.00883	1.5
89.02460	18.7
95.01384	1.9
98.19969	0.7
99.00895	1.5
99.04517	1.7
101.01760	1.0
101.02452	19.4
101.06091	7.2
111.04543	0.9
113.02471	8.9
119.03526	9.1
129.05611	12.3
130.05981	0.6
130.08737	4.1
131.03508	0.8
131.07141	0.7
143.03523	1.2
147.06654	31.4
148.07062	1.0
150.05603	3.2
161.04567	4.2
168.62685	0.7
177.96214	0.9
179.05641	2.2
189.07829	0.7
223.31171	0.6
225.25034	0.7
237.06149	0.7
250.05771	1.8
309.11920	100.0
310.12213	7.2
313.89801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03446	14.7
59.01379	13.6
60.63753	2.1
61.98836	2.8
69.03464	5.0
71.01385	14.4
71.43570	5.5
80.02692	2.2
81.03469	3.5
83.05030	6.7
87.67838	2.4
95.05010	3.8
97.06598	27.3
99.04519	2.0
107.05025	3.3
107.08720	2.7
109.06602	7.3
111.08179	16.6
121.06566	2.4
123.04520	4.9
125.09762	6.6
135.08195	2.3
136.15100	2.2
137.02481	2.2
137.09729	4.2
138.06847	3.3
149.09698	5.6
151.11296	27.1
152.11595	2.7
153.09167	3.3
153.12845	7.0
155.10780	13.5
163.11298	10.0
165.12883	35.7
167.10820	5.0
168.11528	2.7
169.12343	6.8
176.01666	2.3
176.03616	2.3
177.09277	2.8
177.12842	5.0
179.10789	13.6
181.12358	45.3
182.12659	5.5
191.10818	23.3
191.14444	11.0
195.10220	3.3
197.11847	4.2
205.12427	3.6
209.11850	100.0
210.12173	8.6
211.13359	10.8
224.10497	3.4
225.11208	3.2
227.12953	3.4
235.26421	2.1
243.17526	2.4
245.19072	43.0
245.21504	3.6
246.19484	4.6
263.20224	12.4
271.17053	3.4
279.19678	5.9
289.18088	57.4
290.18372	6.5
307.19168	98.1
307.22128	3.6
308.19479	12.0
314.22552	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08913	1.7
57.03452	16.7
59.01384	17.5
69.03449	5.5
70.28183	7.3
71.01391	13.5
71.05023	3.5
78.55022	1.5
80.02673	2.5
81.03470	3.2
83.05042	8.7
93.03418	2.1
95.05031	6.7
97.06607	26.7
107.05057	1.7
107.08669	1.6
109.06595	7.5
111.08161	13.2
112.73904	1.5
113.52119	1.8
121.06599	2.7
123.04577	3.7
123.08125	2.7
125.06113	1.6
125.09721	6.9
135.08167	2.1
137.06151	1.9
137.09709	5.6
143.10802	1.7
147.11826	4.5
149.09734	5.4
150.95905	1.9
151.11317	29.6
153.09224	6.9
153.12866	3.2
155.10829	12.2
161.09822	2.0
163.11327	8.0
165.12865	41.1
165.14259	1.9
166.13202	2.8
167.10754	8.1
169.12285	2.1
171.10280	4.7
177.09198	1.9
177.12857	4.2
179.10791	16.5
181.12366	41.3
182.12552	2.1
185.11848	7.2
191.10825	19.3
191.14410	9.1
192.11118	2.4
195.10271	2.1
205.12294	4.1
209.11853	100.0
210.12148	7.2
211.13426	11.4
221.96667	1.5
227.12894	3.1
235.20656	2.1
239.09225	2.2
245.19096	39.2
246.19418	4.2
261.18600	3.4
263.20166	12.7
271.17032	3.9
279.19620	6.7
289.14963	3.2
289.18109	45.0
290.18381	5.4
307.15506	3.6
307.19122	75.7
307.22092	2.9
308.19467	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88269	0.9
57.03450	5.0
59.01376	5.7
67.01904	1.4
67.71900	0.9
67.85278	0.9
69.03463	2.1
69.03847	0.9
71.01434	0.9
71.05037	1.4
74.69405	0.9
80.02686	2.5
80.11279	0.9
81.03452	6.5
83.01404	9.6
83.05009	5.4
85.03060	1.0
85.46208	1.0
93.03479	1.1
95.05045	4.4
97.02964	6.3
97.06587	9.2
106.04214	1.1
107.05018	1.6
107.43068	1.0
108.23495	1.0
109.06598	3.4
110.03758	2.2
113.06133	1.3
119.08701	1.7
121.06590	2.8
121.10258	1.1
123.04533	8.9
123.08179	3.7
125.06143	1.5
125.09739	19.4
126.10126	1.1
135.08192	5.7
137.06059	1.5
137.09741	10.7
141.12872	4.0
142.02762	1.1
145.06538	1.0
149.06071	3.0
149.09767	1.2
151.11220	2.3
160.08952	1.5
160.33330	1.0
161.09662	1.4
162.10493	2.0
163.07669	2.2
163.11311	16.4
164.08421	1.4
164.11661	1.5
165.09225	1.5
165.12856	3.9
167.10820	1.9
171.10289	2.1
173.09796	1.5
177.12868	2.4
179.10782	1.9
181.12401	4.8
185.11836	21.8
191.10736	4.6
191.14435	20.3
192.14748	1.2
205.46408	0.9
207.10265	9.7
209.11845	51.8
210.12144	3.2
211.13412	2.0
217.15921	2.2
225.11287	12.0
226.11862	1.9
229.38878	1.2
245.19099	44.0
246.19405	3.8
247.17047	1.3
263.20132	3.3
265.38821	1.0
271.17038	5.7
289.18082	100.0
290.18430	10.0
307.19122	48.8
307.22787	24.6
308.19394	4.7
308.22980	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.0
68.89554	0.4
69.03468	0.7
71.01402	0.8
71.05028	4.6
71.55324	0.7
71.66509	0.3
73.54163	0.4
80.02679	0.9
81.03459	2.1
83.05038	1.4
86.50702	0.5
95.05040	1.7
96.96030	0.6
97.02976	0.5
97.06613	0.6
98.03752	1.8
101.36399	0.4
106.04239	1.2
107.05040	0.5
109.02992	0.5
109.06609	11.6
111.04533	6.1
111.08151	1.6
112.05306	0.5
121.06579	0.5
123.08179	1.3
125.09766	0.6
127.07657	2.7
135.08192	0.5
135.11813	0.5
137.09769	1.0
141.09258	0.5
143.10797	1.9
145.06589	2.1
149.06107	0.9
149.09737	1.1
163.11295	0.8
165.09108	0.4
167.10783	2.6
168.11093	0.4
179.10812	1.0
181.12357	0.9
191.14420	1.3
195.13937	3.6
207.17526	0.9
233.15504	0.6
235.13362	1.7
245.19084	5.9
249.15057	0.6
251.16426	1.1
263.20120	0.5
271.16953	1.4
287.16605	1.9
289.18085	100.0
290.18414	9.0
307.15701	0.6
307.19125	10.9
307.22736	2.0
308.19492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.4
56.98388	1.8
57.03455	6.1
57.22947	1.8
59.01376	11.8
61.98507	1.9
61.98832	2.1
65.03963	59.7
69.03458	3.0
71.05022	43.4
71.38483	4.2
71.38813	2.6
76.13152	2.5
77.51592	2.3
78.91662	2.0
85.56125	2.1
93.28870	2.6
96.96026	3.3
97.06602	74.7
97.73660	1.9
98.06995	2.4
119.08684	17.1
121.06614	100.0
122.06978	3.7
123.08155	5.3
125.09740	45.7
125.10542	1.6
127.00285	2.2
137.09698	3.2
185.11853	82.8
186.12143	3.9
209.11856	40.4
210.12184	3.2
211.13393	41.6
235.13380	91.5
236.13699	7.3
249.15080	2.7
289.18048	31.2
290.18280	2.9
307.15579	4.3
307.19098	49.3
307.22540	1.9
308.19403	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.9
57.03441	4.6
59.01372	14.8
61.98831	3.2
65.03965	41.3
69.03456	4.0
69.52723	15.8
71.01356	2.3
71.05021	30.3
80.02663	3.0
80.90582	1.7
81.03429	2.5
83.05045	8.0
85.06584	5.0
86.11317	1.7
89.96762	1.9
91.74062	1.7
93.03474	19.0
95.05035	3.6
96.96040	3.5
97.02962	1.9
97.06602	61.9
99.08185	1.9
106.04223	2.3
107.08693	2.0
109.06590	3.5
111.04538	2.0
111.08152	2.3
117.07133	14.9
119.05036	5.0
119.08678	34.3
120.09155	2.0
121.06610	73.9
122.06961	3.4
123.08204	5.6
125.06087	1.6
125.09740	42.7
126.10089	1.8
133.06567	5.0
135.08180	76.7
136.08501	4.0
137.09721	12.8
143.10744	2.1
145.03035	2.1
156.78821	1.6
163.11298	3.5
167.14282	2.0
171.10292	58.2
172.10558	2.6
179.34109	1.9
185.11850	63.4
186.12181	3.6
186.60510	1.6
187.14824	1.8
191.14291	2.9
205.15912	2.4
209.11835	33.8
211.13403	29.7
231.13748	2.5
233.15381	5.7
235.13403	77.7
236.13734	4.8
245.19072	7.0
249.14944	11.3
252.13562	2.2
261.18576	3.6
263.01816	1.9
268.77896	1.8
271.16965	4.8
279.19675	6.0
289.18082	100.0
290.18417	10.6
305.21329	8.1
307.15558	4.9
307.19113	66.8
307.22791	56.8
308.19440	5.6
308.23083	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	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01877	0.9
57.03438	1.0
58.00597	1.1
59.01381	34.9
61.54863	0.5
69.12457	0.6
69.62886	2.4
69.63313	2.5
71.01390	19.1
71.19965	0.6
72.99314	2.2
73.02949	0.8
83.01399	1.4
85.02953	3.6
86.40473	0.7
87.00889	2.0
89.02454	15.7
95.01390	1.7
99.00854	0.6
99.08169	18.7
100.08502	0.9
101.02456	14.6
111.00910	2.0
113.02467	7.1
119.03521	6.5
127.07661	3.5
129.09250	2.2
133.02939	0.7
141.09213	1.4
143.07193	0.6
145.08722	55.8
146.09081	2.9
174.03242	1.5
179.05699	0.7
187.09766	1.6
189.05611	1.6
216.42029	0.7
263.05658	1.0
291.08578	0.7
307.13989	100.0
308.14352	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18780	0.5
58.02978	2.1
59.01381	100.0
59.03296	0.5
60.01729	1.5
69.57751	4.6
71.01385	6.2
72.99311	0.7
73.02947	2.7
74.02478	5.6
75.02834	0.9
83.01388	0.9
83.03331	0.5
83.05054	0.8
85.02978	1.6
85.06593	1.2
86.02509	2.0
87.00912	1.3
87.05657	2.0
88.05991	0.5
89.02453	5.9
95.01372	0.5
96.96021	4.4
98.04450	0.5
98.95551	0.5
99.05656	4.7
100.06009	1.5
101.02457	4.1
106.38991	0.5
112.04098	0.7
113.02467	3.2
119.03533	3.2
119.05040	0.5
120.99677	1.3
121.33081	0.5
125.02473	1.0
127.00349	0.6
127.04045	1.1
128.03563	9.1
129.03920	4.0
135.05695	0.5
141.06720	0.8
142.07179	0.6
143.03546	1.3
143.04640	12.2
144.05020	6.9
145.02899	0.8
145.08733	0.8
146.04652	1.2
147.04962	0.7
153.06685	0.8
155.10773	0.5
160.00801	2.6
161.01163	2.3
161.02431	0.8
161.04556	0.6
162.00252	0.6
175.03987	1.0
177.03418	0.7
178.03725	1.2
179.03236	0.7
179.04713	1.8
180.05008	2.6
189.02065	0.7
198.06097	0.6
205.17085	0.5
210.08882	1.5
211.09229	3.3
217.01462	1.5
219.03065	1.8
219.10648	0.6
223.57411	0.5
227.12964	0.9
245.00957	1.7
254.07834	1.2
255.08151	3.9
256.08347	0.7
263.05533	0.5
272.08905	2.0
273.09149	5.7
289.06931	1.2
307.01404	0.7
307.04498	0.7
307.08130	13.3
307.14044	7.7
308.07303	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	306.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05887	0.3
59.01362	1.9
61.98830	100.0
62.98534	0.7
63.99262	1.3
70.53751	1.4
71.01403	0.4
72.99305	0.4
78.95924	2.5
96.96027	2.8
96.96953	0.6
106.54872	0.4
118.73695	0.4
120.27450	0.3
127.01334	0.4
128.64111	0.3
134.75233	0.4
136.94035	4.8
137.94104	0.6
161.98941	2.1
162.99121	1.8
163.98689	4.3
164.93486	1.3
164.96407	47.7
165.96504	3.8
178.95081	3.9
205.00168	0.5
205.99783	0.6
206.95897	0.3
206.97452	18.2
207.97609	1.5
278.95172	1.4
306.94559	1.1
306.97562	18.3
307.00302	3.8
307.94495	0.8
307.97131	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	306.0766
Annotation	Glutathione
Peak:m/z	Relative Intensity
55.31087	0.2
58.02975	14.6
58.99607	0.5
59.01378	3.7
61.98838	0.4
62.18398	0.2
66.03484	1.4
67.03023	0.3
68.05061	0.8
69.03470	0.3
70.02981	2.4
71.01378	2.3
71.01940	0.6
72.00910	1.7
72.04533	0.3
72.99332	0.3
73.02960	0.4
74.02478	27.8
80.03818	0.3
81.03449	0.3
81.04572	1.3
82.02994	4.0
82.06606	0.3
83.01382	0.2
83.02541	0.2
84.00912	0.5
84.04564	1.9
85.02953	0.9
85.04070	1.2
85.06589	0.4
86.02486	10.6
86.06124	1.9
86.99106	2.0
87.00852	0.4
87.05644	10.6
88.04051	1.3
89.02460	0.7
90.00205	3.7
94.02985	0.2
94.06685	0.2
95.02506	0.4
95.06112	0.2
96.04557	0.7
96.96018	2.5
97.04089	3.7
98.02472	0.4
98.04903	0.3
98.06124	0.6
99.00951	0.2
99.05652	25.1
100.00435	0.7
100.04054	0.7
100.05991	0.8
101.02460	1.1
101.07220	4.3
102.05622	3.2
107.06143	1.4
108.04532	0.3
109.02969	0.5
109.04092	3.4
109.07726	1.3
110.02486	0.4
110.06132	0.4
111.03427	0.3
111.05669	2.0
112.04059	3.8
113.02479	0.5
113.03597	1.2
113.07240	0.8
115.05190	0.3
116.01777	2.3
120.01266	1.3
120.99685	0.3
121.04129	0.3
123.05652	3.0
124.04070	1.9
125.02454	0.7
125.03589	2.6
126.01986	0.8
126.04349	0.5
127.04114	0.4
127.05148	4.9
128.03555	70.0
129.03931	1.8
129.99701	0.7
130.05159	0.3
131.04628	3.0
133.04361	0.3
135.05663	5.5
137.07259	1.8
138.03392	0.2
138.05673	0.3
139.01559	0.3
139.05125	0.8
141.06718	7.9
142.07063	0.3
143.04642	100.0
144.01262	0.7
144.05023	3.1
145.05154	0.5
145.06215	4.1
146.04611	8.0
146.06442	0.3
149.07188	0.8
153.06696	5.4
154.07031	0.3
155.04585	0.4
155.08292	1.2
160.00757	24.4
161.01065	1.0
163.06178	0.4
166.09857	3.7
167.04642	7.3
167.08276	2.1
168.05025	0.2
170.03383	1.0
171.04080	1.4
171.07794	1.7
177.03410	9.6
178.03729	0.4
179.04637	19.3
180.05043	1.1
180.07785	0.8
181.06203	2.5
184.10904	1.3
185.05687	3.8
192.07800	1.7
193.06236	0.3
197.05690	3.7
198.08823	2.0
199.07318	0.3
210.08853	18.4
211.09186	0.9
213.03421	1.0
217.01414	0.2
219.02968	0.5
227.12935	0.5
228.09875	1.8
229.07172	0.4
231.04440	1.1
236.06857	0.4
242.07823	2.9
245.00954	0.5
254.07803	27.0
255.08174	1.9
260.08823	0.5
272.08859	34.4
273.09134	3.2
288.06580	8.4
289.06683	0.5
306.07645	53.6
307.00897	0.3
307.08060	6.7
307.13852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2122
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
57.03437	4.4
59.01379	75.1
61.98814	1.2
63.07413	0.9
67.55167	1.0
69.33808	1.5
69.34204	10.5
77.58267	1.1
106.20289	0.9
155.11105	1.1
168.13850	1.3
180.32008	1.0
207.24103	1.0
245.19049	3.3
271.34653	1.0
305.21216	100.0
306.21579	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
55.01847	1.3
57.03435	3.2
59.01381	6.2
61.98827	1.4
65.03941	2.6
69.03445	1.4
71.01382	1.3
71.05024	8.4
71.73012	0.8
79.05534	11.4
83.05051	1.4
93.03459	2.4
94.80166	0.8
95.05010	2.6
97.06602	15.2
106.04275	9.1
107.05029	3.1
109.06610	1.8
117.07115	2.0
118.24515	1.0
119.05064	1.9
120.05823	6.3
121.06612	3.1
123.08215	5.7
125.09739	17.4
133.06662	1.7
135.08186	100.0
136.08487	4.6
137.09738	1.4
151.11282	1.9
161.06059	1.2
163.11322	0.9
177.12822	1.6
183.10248	0.9
185.11838	3.0
189.12877	1.7
191.54306	0.8
205.15953	5.4
207.10312	2.2
209.11813	1.1
211.13246	1.1
221.11876	0.9
228.50443	0.9
231.13914	1.6
233.11739	1.8
243.17555	1.3
249.14943	44.9
250.15244	4.0
263.16559	1.8
269.15427	1.8
277.18188	4.6
287.16534	13.8
305.17581	90.1
305.20859	3.8
306.17941	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	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
55.01871	0.8
57.03441	0.8
59.01376	5.5
59.20436	0.9
69.03455	0.8
71.05025	31.6
72.05367	0.9
81.03469	2.4
83.05032	1.6
93.03468	2.6
95.01407	0.8
95.05035	13.4
97.06606	1.0
98.19811	1.4
99.00889	0.8
106.04276	1.8
107.05024	1.9
109.02937	1.5
109.06599	12.7
111.04545	2.5
116.68772	0.8
119.05053	1.0
121.06592	4.6
122.03744	1.8
123.08150	1.7
125.09724	1.1
127.07666	2.5
133.06616	0.9
135.08171	4.2
139.07687	1.1
147.04579	1.0
147.08195	3.0
149.06107	1.2
149.09781	1.5
150.06873	2.0
153.16089	0.9
160.98911	1.1
161.06096	2.5
161.09787	1.1
165.09222	11.6
173.09665	0.8
175.07683	1.3
187.28941	0.9
189.12871	12.6
205.15964	7.4
231.13910	1.7
233.11797	5.4
243.17528	7.9
244.17973	1.3
245.15416	1.1
249.14908	10.5
261.18576	3.8
263.16702	1.3
269.15588	2.5
287.16522	75.0
288.16922	6.4
289.14551	1.1
305.08218	2.1
305.17587	100.0
305.20859	4.3
306.17856	9.9
306.21106	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	305.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03438	0.9
58.00601	2.6
59.01381	55.8
59.71997	0.5
60.01721	0.5
69.62990	4.0
71.01388	31.1
72.01722	0.6
72.99329	2.8
73.02939	2.0
74.02489	0.9
83.01398	2.6
85.02965	7.5
87.00879	1.3
89.02456	27.7
90.02790	0.5
95.01415	3.1
95.05092	0.5
96.96022	1.3
97.02995	0.7
99.00880	1.5
101.02459	20.6
109.02948	0.7
111.00937	0.9
113.02473	11.0
119.03522	11.5
120.03837	0.5
125.02462	3.4
125.06115	9.7
128.03557	1.3
131.03500	1.2
137.02512	0.6
138.05664	4.1
139.03966	0.8
143.04652	1.1
143.07138	3.8
161.04572	1.0
165.01987	0.6
167.03441	0.7
179.05725	0.8
180.00488	0.6
251.87839	0.5
287.11237	0.5
305.06760	4.3
305.12427	100.0
306.07687	1.0
306.12766	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	305.1145
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
51.92888	0.2
59.01382	1.7
61.98833	2.7
64.24259	0.2
65.99847	0.6
68.99850	0.4
69.03484	0.3
69.94004	1.5
71.01386	3.5
75.00864	0.2
82.02988	3.2
83.01414	0.4
92.05078	0.6
94.02965	1.3
96.04562	3.6
96.05142	0.3
97.02961	0.6
97.38141	0.3
98.20695	0.3
99.00878	0.2
99.04522	0.5
101.02458	0.3
106.42632	0.2
110.06139	0.5
112.98858	0.4
113.02470	0.4
114.98579	0.3
117.05582	0.3
120.04585	1.2
120.99701	1.3
122.02452	0.3
122.03764	4.3
122.06124	2.1
125.02500	0.2
128.96524	0.3
135.03011	0.3
136.04070	1.4
138.05626	100.0
139.05977	3.6
143.04561	0.3
145.07802	0.3
146.03714	0.4
149.04881	0.3
150.05560	0.5
152.30695	0.2
161.04883	0.3
161.08240	1.9
172.73474	0.2
173.00948	0.5
173.02454	0.3
173.06105	0.5
174.03261	0.6
174.05678	0.7
188.07193	0.8
190.02748	0.7
190.08774	1.0
202.02679	0.4
202.08720	1.1
206.75522	0.2
215.08411	0.3
216.10289	0.7
217.01324	0.4
217.06181	0.8
217.08955	0.6
218.02150	0.7
218.06975	1.8
218.11847	1.5
231.07506	0.3
233.09296	5.0
234.09651	0.3
244.09871	0.9
245.09357	0.7
246.01694	4.5
261.04123	1.8
261.12439	11.1
262.12793	0.6
267.28598	0.2
287.10403	1.3
287.13699	0.5
290.00754	0.8
303.90564	0.3
305.03278	2.2
305.11417	16.6
306.11539	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	305.0667
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
57.03447	7.8
67.01895	0.5
67.65204	0.5
68.99845	0.6
69.03470	1.2
70.47504	0.6
70.70697	2.0
81.03480	3.3
83.01382	3.5
83.37997	0.5
93.03471	2.5
95.01379	2.7
95.05037	4.1
95.06922	0.5
97.02973	4.0
98.05550	0.5
99.04489	0.6
105.81597	0.5
107.05045	1.0
109.02969	15.5
110.03275	0.7
111.04549	4.3
113.06109	0.6
121.02968	3.5
123.00904	5.8
123.04541	1.5
124.01689	4.8
125.02463	100.0
125.75182	0.6
126.02785	2.7
133.06650	0.9
135.04535	2.0
137.02464	29.8
137.06067	0.6
138.03191	2.4
139.04033	22.5
140.04372	1.2
147.04553	1.0
149.02510	0.7
149.06081	2.1
151.04033	2.7
155.03502	0.7
159.04555	1.9
161.02448	3.0
162.03268	1.3
164.01163	7.0
165.01949	21.2
166.02489	1.6
167.03506	21.7
168.03839	1.1
173.06117	0.9
175.04036	2.5
175.07654	0.7
176.04709	0.9
177.01947	2.1
177.05550	4.6
178.02724	1.4
179.03510	19.2
180.03864	1.2
189.05687	0.8
191.03439	0.7
191.07182	1.9
199.04066	0.6
201.05634	1.7
203.03526	3.8
204.04248	3.2
215.07137	0.8
219.06635	15.7
220.07043	1.5
221.04541	7.9
237.07722	0.9
243.06709	1.3
261.07697	6.9
262.08014	0.6
287.05615	1.0
305.06677	74.1
306.06992	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12494	0.6
58.02972	38.5
59.03304	0.8
63.21178	0.7
69.51257	1.2
69.51674	4.4
86.23682	0.6
98.19898	1.1
128.36270	0.6
168.13950	100.0
169.14346	5.5
185.40759	0.6
212.12880	3.5
304.19241	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	305.0304
Annotation	2-Protocatechoylphloroglucinolcarboxylate
Peak:m/z	Relative Intensity
59.01354	0.7
68.87930	0.3
71.01389	1.5
80.20050	0.3
85.06597	9.8
88.47095	0.3
89.02433	0.3
96.96029	0.3
98.20634	0.5
106.04221	1.2
113.06107	2.5
115.00354	0.8
115.04031	1.5
120.48384	0.3
120.99638	0.6
121.02940	0.3
129.05583	1.0
129.31520	0.3
133.01439	0.5
133.02951	0.5
145.02913	0.4
146.03769	0.4
157.04994	0.5
161.02460	0.8
162.03191	0.5
173.02443	0.9
176.01146	0.3
189.01952	2.3
189.07680	1.3
190.02725	17.7
191.03069	0.9
217.01422	17.3
218.02200	18.0
219.02541	1.2
246.01683	100.0
247.02022	6.2
261.04028	39.2
262.04404	3.1
278.00604	0.6
305.03073	5.8
306.03506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43043	0.5
52.12022	0.5
59.01379	2.7
61.98830	100.0
69.46858	4.7
71.01382	1.2
77.00041	0.4
82.02981	0.5
88.18758	0.4
89.05700	0.4
96.04562	0.5
96.53344	0.4
98.19851	1.0
101.02431	0.7
103.42128	0.4
122.03755	0.5
122.06180	0.6
138.05626	20.8
154.50439	0.4
163.59015	0.4
190.02763	0.9
212.26366	0.5
217.01468	1.6
217.05135	0.5
218.02245	1.1
225.95439	0.5
243.70323	0.5
246.01694	8.0
261.04031	5.9
261.12506	2.1
286.12784	0.6
305.03134	1.8
305.06427	0.7
305.11441	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	304.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53204	0.1
59.01380	4.3
60.01726	0.3
61.98833	100.0
64.85771	0.2
71.70293	0.2
71.70628	0.3
112.71616	0.2
118.00710	0.2
119.00182	0.3
159.01546	0.9
160.01628	1.4
161.01212	2.1
161.98973	21.6
162.99043	1.3
172.19518	0.2
202.02733	0.5
203.02264	0.4
204.00026	4.6
205.00032	0.3
217.92075	0.2
243.98364	0.2
261.98981	0.5
285.98572	0.2
294.56711	0.2
304.00027	16.4
304.02609	1.2
305.00113	2.8
305.02859	0.2
316.28061	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	303.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40704	0.4
59.01378	100.0
59.12020	0.4
60.01719	1.6
61.98829	1.8
69.83691	2.9
74.42502	0.4
78.95923	1.7
81.03448	0.6
93.03488	0.6
95.05038	0.5
96.96972	0.8
97.03007	0.5
97.06634	0.6
110.02471	6.4
110.06138	0.7
120.99621	0.6
121.02997	0.8
122.06110	4.4
122.06786	0.4
125.02474	1.5
128.03566	0.5
135.06914	0.6
138.05614	0.5
141.09218	2.3
148.04059	0.4
149.02489	1.5
149.04820	0.6
150.89081	0.4
159.04388	0.5
161.23997	0.5
162.05624	0.6
163.06392	4.7
164.03529	0.7
164.07205	0.7
166.05170	1.8
177.01991	0.5
177.04211	1.1
193.01421	13.0
194.04625	1.1
195.05365	4.4
196.05762	0.4
217.05119	1.0
225.11052	0.5
229.06236	0.6
230.99355	0.5
243.15970	7.0
244.16460	0.6
259.02347	0.7
259.10876	1.3
260.05780	1.6
273.12445	4.7
285.03998	0.5
285.12448	17.4
286.12805	1.7
291.58987	0.5
302.97504	0.7
303.00586	3.6
303.04907	0.9
303.10019	1.0
303.13840	4.7
303.18207	0.9
304.04584	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	303.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99107	0.3
59.01380	100.0
60.01715	0.9
61.98819	0.7
69.03452	0.5
69.65320	3.1
70.38286	0.3
97.02946	0.5
99.00890	0.8
107.01187	0.4
109.02957	0.9
111.00877	0.4
120.99681	0.8
123.00937	0.4
125.02454	3.3
137.02472	1.5
139.00410	0.9
140.07191	5.3
141.01993	2.0
141.07545	6.3
143.38208	0.4
151.04085	0.4
153.01991	2.3
161.02509	1.3
165.02008	0.6
165.25809	0.3
166.02785	0.5
174.01770	0.6
175.04030	1.0
177.02002	0.7
201.01926	0.5
217.05124	1.0
235.06320	0.4
243.16083	1.6
259.06113	0.4
285.04007	0.5
303.01413	0.6
303.05020	2.4
303.14465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.5
58.00589	4.4
59.01376	94.7
68.99831	3.4
69.03445	3.0
70.26786	8.1
71.01382	38.4
72.99309	58.1
73.02955	4.2
75.00874	22.5
79.05534	7.9
80.02688	2.4
83.01431	3.4
83.05021	4.1
85.02930	1.7
87.00856	3.1
89.02448	71.4
91.05514	2.0
93.03458	2.9
95.01418	2.7
95.05057	4.4
97.06594	31.3
98.20546	3.2
99.00900	18.6
105.07095	4.0
106.04259	2.3
107.05057	7.1
108.02181	3.8
109.06615	10.2
111.00902	2.6
111.08163	17.0
112.98831	16.0
114.75983	1.9
115.00420	3.6
117.01949	43.9
120.05842	8.5
121.02962	2.8
121.06602	18.1
123.04532	2.9
123.08179	8.4
124.01656	7.0
124.98819	6.4
125.02482	3.4
125.06126	12.3
128.71989	2.1
134.03693	2.1
135.03001	18.3
135.04526	3.5
135.08176	4.6
137.02434	6.8
137.06100	4.6
139.07661	22.6
140.98254	2.8
142.99873	100.0
144.00217	3.8
149.06104	27.4
150.06416	2.8
151.07664	3.5
153.05580	28.8
153.06706	3.4
161.00890	3.4
161.39502	1.9
165.05591	3.7
166.06377	7.1
167.07138	44.4
173.00929	26.6
174.01714	33.5
175.02261	1.8
179.07239	2.5
181.08711	20.8
181.33685	2.1
183.06531	3.7
187.76543	2.1
193.05122	11.2
209.08168	3.9
211.06119	5.0
213.07700	3.6
225.07678	44.5
225.09282	1.7
226.08052	4.5
230.99281	2.7
275.59048	2.1
302.97507	3.4
303.00607	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	302.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.1
61.98833	100.0
70.04742	0.7
70.05138	1.0
81.16947	0.3
82.46136	0.3
85.07370	0.3
98.20554	0.4
106.58826	0.4
120.99686	0.4
125.02485	0.7
125.43701	0.3
137.02505	0.4
186.53407	0.4
285.00122	0.4
285.12411	1.5
302.00223	4.7
303.00781	0.6
303.14285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
63.97140	0.2
69.50206	2.3
70.33188	0.2
75.44796	0.2
76.64442	0.3
85.46590	0.2
89.02475	0.3
91.04018	0.9
93.03465	0.3
97.06595	0.3
107.01391	0.4
108.90202	0.2
129.31886	0.2
137.39120	0.3
140.46933	0.2
145.03000	0.4
151.00339	0.5
165.12862	3.2
183.13918	100.0
184.14262	6.7
185.02463	0.7
201.01888	0.3
209.11841	2.5
227.12912	4.8
228.13223	0.4
229.01480	0.4
233.66594	0.3
245.00897	0.4
245.04610	0.3
273.04031	0.5
283.99554	0.5
299.99280	0.4
300.99918	9.4
301.03201	0.3
301.16583	13.7
302.00262	0.7
302.16922	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
69.48394	1.7
69.48732	0.3
83.90327	0.2
89.02479	0.5
91.04025	0.8
98.20646	0.3
111.08160	0.2
144.62825	0.2
165.12860	3.3
165.14249	0.2
177.64246	0.2
183.13908	100.0
184.14243	7.6
209.11848	2.6
220.81970	0.2
221.19035	0.2
227.12874	4.4
228.13194	0.4
269.49649	0.2
274.59613	0.2
285.92215	0.2
300.99863	1.7
301.16577	13.5
301.19992	0.7
302.16904	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	301.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80978	0.2
59.01383	6.6
60.40006	0.2
65.99835	0.3
71.01397	0.2
71.02496	0.7
77.48115	0.2
101.70720	0.2
107.01374	0.2
109.01693	0.4
110.02482	0.5
117.03486	0.8
118.06641	1.2
119.05051	0.2
121.02961	0.2
129.03494	0.6
132.02216	0.3
133.02937	0.3
137.02525	0.3
139.07677	0.9
145.03000	2.1
147.03255	0.6
147.04526	0.6
148.01701	0.2
148.04068	0.5
149.02437	0.2
151.00467	0.4
151.07678	0.4
157.02971	1.3
160.01804	0.2
160.04066	4.6
161.04843	37.0
162.05600	6.7
163.02760	0.3
163.04008	0.8
163.05983	0.5
164.03534	2.4
169.01486	0.5
172.01678	0.5
173.02467	2.7
175.02776	3.4
176.03514	0.8
177.01785	0.3
179.10872	0.5
185.02481	3.7
186.02899	0.4
188.01073	0.3
189.01721	0.9
192.03036	5.0
193.03822	24.2
194.04239	1.4
199.00397	0.5
200.01118	0.8
201.01929	3.4
202.02057	0.4
208.02557	0.5
213.01942	0.4
213.05637	0.3
216.00565	0.8
217.01118	1.7
223.13350	0.3
226.99817	1.2
228.00406	1.0
229.01404	5.0
230.01776	0.4
240.10268	0.7
241.14499	2.7
242.99635	0.2
243.99910	0.8
245.00821	2.9
246.01091	0.2
254.99377	0.4
255.99997	0.3
257.00864	2.1
257.08383	0.3
269.61218	0.2
271.10864	11.2
271.99390	0.3
272.11157	1.1
273.00009	0.6
283.10883	38.5
283.99625	5.0
284.11212	4.2
284.69724	0.2
284.99896	0.3
299.99072	4.1
300.99832	100.0
301.11890	15.8
302.00174	10.4
302.12332	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	301.0931
Annotation	Isotachioside
Peak:m/z	Relative Intensity
57.03424	0.3
59.01382	2.8
68.99811	0.3
69.03472	0.7
71.01389	4.8
71.72004	0.5
72.99290	0.4
73.02960	1.5
74.99112	0.5
78.95896	0.2
81.03432	0.4
82.45493	0.2
83.01398	0.9
85.02954	2.0
87.00906	0.2
89.02452	0.8
92.84049	0.3
93.03469	1.0
95.01403	4.8
97.02950	0.4
99.00912	0.8
101.02451	3.3
107.01422	0.4
108.02173	0.4
109.02973	1.2
111.00912	0.8
113.02467	3.9
120.99651	0.6
121.02992	2.5
123.00906	100.0
123.04532	0.8
124.01772	6.5
125.02481	7.3
136.01741	0.5
137.02481	4.1
137.05983	0.4
138.03253	64.2
139.00391	3.6
139.04063	14.1
140.04372	0.3
143.03555	0.3
145.02951	0.3
148.01756	0.3
149.02464	2.3
149.04504	0.3
149.99663	0.4
150.03214	0.6
151.00427	0.6
151.04053	2.2
153.01942	0.4
155.35721	0.2
159.02951	0.6
161.02496	0.4
161.04591	4.9
163.04074	0.9
166.02721	2.1
168.00700	1.9
169.01457	8.9
171.01189	0.3
178.02760	1.3
179.03461	0.5
181.01534	0.3
181.05101	6.3
185.02533	0.3
193.05081	2.8
201.01927	0.4
229.01617	0.6
237.98573	0.4
245.00952	0.4
253.31772	0.3
257.00900	0.3
283.99786	0.5
299.99094	0.5
300.99951	8.4
301.05722	6.1
301.09390	3.9
302.00159	0.7
302.06055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0355
Annotation	Quercetin
Peak:m/z	Relative Intensity
56.92364	0.3
59.01378	11.8
63.02399	7.3
63.02711	0.7
64.99983	0.7
65.00328	12.5
66.13947	0.3
73.02955	1.9
83.01402	7.1
90.84543	0.4
93.03464	3.0
95.01376	0.7
98.20610	1.1
107.01405	19.0
108.01709	0.5
108.99250	0.4
109.02973	1.8
121.02972	17.3
122.03320	0.9
123.00893	0.5
124.01711	0.6
125.02446	0.6
139.04077	2.0
145.02983	0.7
148.01712	0.4
149.02455	2.4
151.00392	59.8
152.00734	2.6
159.04486	0.6
161.02490	1.0
163.00389	1.3
163.04045	0.8
164.01175	1.5
169.01411	3.9
175.03960	0.7
178.99879	21.4
180.00194	0.6
185.02502	0.4
187.04059	0.8
192.00703	0.4
193.01421	1.0
201.01875	0.4
201.05585	0.7
203.03398	0.6
205.05002	0.5
207.13925	1.6
211.04034	1.1
225.15074	1.8
227.03482	0.9
227.12865	2.8
229.04997	1.3
230.01933	0.3
231.02966	0.5
243.03027	0.5
245.04582	2.1
247.27202	0.4
255.02852	0.9
257.04568	0.8
273.04016	3.0
283.15622	1.8
283.99771	0.4
299.02060	0.6
301.00003	8.8
301.03500	100.0
301.16644	3.2
302.00388	0.9
302.03851	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	301.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01965	0.2
56.66798	0.2
59.01371	0.6
63.02395	5.2
64.02753	0.2
65.00325	10.4
66.00667	0.2
69.40892	1.3
69.41306	0.5
80.48709	0.2
83.01392	6.0
83.63174	0.2
91.01913	0.6
93.03469	3.1
95.01409	0.6
97.03014	0.2
98.19893	0.3
107.01401	16.3
108.02252	0.3
108.99284	0.2
109.02966	7.2
110.03339	0.2
111.00876	0.2
117.03503	0.4
119.01421	0.9
119.05037	0.3
120.02130	0.2
121.02969	16.3
122.03301	0.7
124.01702	0.4
125.02469	0.8
129.03439	0.3
131.05000	0.2
133.02982	0.6
133.57335	0.2
135.00911	0.9
137.02446	0.4
139.04037	1.9
141.03610	0.2
143.05048	0.4
145.02980	1.4
145.06587	0.3
146.03745	0.3
147.00940	0.3
147.04555	1.0
148.01680	0.5
149.02451	2.8
150.02805	0.2
151.00386	50.9
152.00702	2.4
155.05037	0.4
157.02966	0.7
157.06667	0.3
159.04544	1.5
161.02489	1.3
161.06105	0.4
163.00381	4.2
163.03995	1.0
164.01167	1.3
165.01926	0.5
167.05020	0.6
169.01434	2.9
171.04543	0.6
173.02405	1.4
173.06114	0.4
174.03195	0.2
175.00604	0.2
175.04022	1.0
177.02022	0.2
178.99873	19.1
180.00171	0.9
182.03714	0.3
183.04459	1.2
185.02487	2.1
185.06107	0.6
187.03995	1.8
189.01976	0.8
190.99895	0.6
192.00658	0.6
193.01402	1.2
195.04390	0.2
199.00322	0.3
199.03979	0.7
200.01181	0.3
200.04814	0.3
201.01941	1.4
201.05551	1.8
203.03526	0.8
205.05075	0.4
211.04007	2.9
212.04700	0.5
213.01933	0.7
213.05319	0.2
214.02719	0.5
215.03540	0.6
217.01439	0.4
217.05016	0.5
226.99843	0.3
227.03502	2.7
228.00601	0.4
228.04236	0.4
229.01437	2.1
229.05043	2.3
230.02144	0.4
231.03026	0.4
239.03554	0.7
240.04179	0.3
243.03038	1.0
245.00931	1.4
245.04536	4.1
255.02957	4.6
256.03583	1.2
257.00995	1.2
257.04547	0.9
266.02255	0.3
271.02542	0.8
272.03128	0.4
273.04025	3.5
274.04291	0.4
283.02493	2.4
283.99661	1.7
284.02817	0.5
299.01978	0.3
299.99158	2.0
300.02597	0.4
300.99963	41.4
301.03555	100.0
302.00281	4.3
302.03897	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	300.9989
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
59.01369	0.4
63.02398	5.8
64.02744	0.4
65.00326	10.1
66.92806	0.3
69.39584	3.6
70.12425	0.3
83.01397	6.2
91.01891	0.9
93.03465	3.5
95.01412	0.6
107.01406	17.3
108.01692	0.4
109.02966	7.9
117.03516	0.5
119.01406	0.9
120.01004	0.3
121.02977	15.0
124.01649	0.5
124.38893	0.3
125.02439	0.6
127.30465	0.3
129.03481	0.4
129.07123	0.3
133.03001	0.5
133.92642	0.3
134.03403	0.3
135.00919	0.9
137.02475	0.4
139.04065	2.0
140.15288	0.3
145.02963	2.3
147.04530	1.0
148.01689	0.9
149.02499	2.8
151.00391	47.8
152.00697	1.9
155.05046	0.4
157.02954	1.3
157.06589	0.4
159.04544	1.5
161.02470	1.7
161.06116	0.4
163.00400	4.8
163.04041	1.5
164.01129	1.5
165.01933	0.8
167.05069	0.7
169.01485	2.4
171.04491	0.5
173.02443	2.3
173.06079	0.7
175.04010	1.0
178.99884	16.7
180.00232	0.6
183.04538	1.3
185.02469	3.9
185.06134	0.7
187.03986	1.5
189.01965	0.7
189.05678	0.4
191.03555	0.5
192.00681	0.4
193.01425	1.0
199.04034	0.9
200.01201	0.6
201.01961	2.7
201.05525	1.9
203.03510	1.4
205.05110	0.5
211.04007	3.0
213.01968	1.1
213.05464	0.4
215.03555	0.4
217.01436	0.6
226.99925	0.6
227.03470	1.9
228.00584	0.7
228.04105	0.7
229.01454	3.3
229.04974	2.1
230.02139	0.6
239.03389	0.8
240.04260	0.4
243.02954	0.9
244.00047	0.4
245.00851	1.8
245.04529	4.0
255.02965	4.3
256.03677	1.3
257.00894	2.1
257.04584	0.8
271.02563	0.9
272.02875	0.4
273.00208	0.5
273.04031	3.0
282.99716	0.4
283.02319	1.7
283.99622	4.1
284.02866	0.7
299.99118	3.1
300.02243	0.6
300.99918	76.3
301.03543	100.0
302.00253	7.7
302.03885	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	300.999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91141	0.2
55.77990	0.2
59.01379	0.7
63.02390	0.8
65.00329	1.4
69.43275	2.4
69.43664	0.6
83.01407	0.8
93.03478	0.7
98.20603	0.5
107.01404	1.9
107.05050	0.4
109.02965	0.9
117.03503	0.9
119.05079	0.3
121.02953	2.1
125.02477	0.4
129.03479	0.7
129.48120	0.3
133.02979	0.4
145.02977	2.6
147.04510	0.6
149.02438	0.3
151.00388	7.2
157.02975	1.4
161.02473	0.5
163.00371	0.7
163.04007	1.2
164.01190	0.3
169.01436	0.6
173.02443	2.5
175.03891	0.4
178.99883	2.2
185.02448	4.7
186.02812	0.3
187.03972	0.3
189.01981	0.9
190.30658	0.2
199.00262	0.3
200.01120	0.5
201.01939	3.7
213.02020	0.5
216.00754	0.4
217.01434	0.8
226.99867	0.9
227.03529	0.4
228.00574	0.8
229.01418	5.9
230.01778	0.4
240.00638	0.3
241.14522	0.2
244.00064	0.6
245.00867	2.8
245.04665	0.4
254.99435	0.5
255.03017	0.7
257.00888	2.7
270.11768	0.2
271.02875	0.2
273.00497	0.3
273.04044	0.5
283.02652	0.4
283.99640	5.3
285.00015	0.4
286.90674	0.3
299.99158	5.0
300.99957	100.0
301.03543	13.6
302.00275	7.5
302.03787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9982
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
59.01379	1.6
65.00314	0.1
71.74306	0.2
79.05589	0.1
101.03925	0.1
109.02962	0.1
116.26236	0.1
117.03487	0.7
119.05061	0.2
123.00855	0.1
129.03491	0.7
132.02158	0.1
133.02956	0.5
138.05595	0.2
139.06003	0.2
145.02972	2.6
146.03331	0.2
147.04541	0.8
151.00349	0.2
155.01410	0.1
156.02132	0.1
157.02959	1.5
159.00868	0.1
160.01697	0.2
161.02464	0.5
163.04027	0.7
169.01575	0.1
169.02925	0.1
171.00845	0.2
172.01683	0.3
173.02460	3.1
174.02774	0.2
183.00912	0.1
184.01666	0.3
185.02458	4.1
186.02774	0.2
187.00314	0.2
189.01903	0.9
191.03493	0.2
199.00427	0.6
200.01125	0.6
201.01949	3.9
202.02240	0.3
212.01137	0.2
213.01917	0.4
214.99866	0.1
216.00621	0.3
217.01413	1.0
226.99904	1.1
228.00552	0.6
229.01410	5.4
230.01715	0.2
240.00601	0.3
244.00116	0.6
245.00909	2.3
246.01270	0.2
254.99321	0.5
256.00211	0.2
257.00909	2.3
258.01114	0.2
271.99634	0.2
273.00400	0.4
282.98788	0.2
283.99619	4.9
284.99957	0.4
299.99118	5.0
300.99884	100.0
302.00229	7.8
302.02982	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	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84768	0.2
59.01382	0.9
62.54276	0.2
68.01429	0.6
70.68692	0.3
71.01397	0.3
73.04816	0.2
95.05037	0.2
100.86561	0.2
120.04558	0.2
122.02504	0.3
123.03281	9.7
124.04086	0.2
124.07716	0.3
137.04884	0.8
138.05629	100.0
139.05037	0.3
139.05992	3.9
143.07666	0.2
152.07173	0.4
165.04303	0.5
167.05901	0.6
180.06667	2.1
232.58813	0.2
274.84457	0.2
300.10870	6.9
300.99939	0.9
301.11234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
57.68805	0.3
59.01365	1.6
79.13351	0.4
97.93477	0.4
112.46740	0.4
138.05627	1.0
145.02960	1.8
177.94313	0.4
185.00829	1.7
200.63908	0.4
220.52168	0.4
230.04121	0.4
237.02567	0.4
237.22234	63.3
238.22578	5.8
255.23354	1.4
255.73849	0.4
271.02371	0.5
281.21213	27.0
282.21536	2.2
299.01944	1.1
299.14716	2.1
299.16574	3.1
299.22278	100.0
299.99152	1.7
300.22644	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	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00329	0.5
59.01385	3.4
68.01419	3.3
69.59103	1.2
69.59517	0.2
71.01389	0.6
72.99342	0.2
73.02952	0.2
77.64116	0.1
85.02975	0.2
89.02471	0.2
93.03428	0.2
94.06657	0.3
95.05051	0.4
96.04569	0.4
97.06597	0.2
98.48763	0.1
101.02436	0.2
110.02486	0.1
110.06138	0.2
114.64147	0.1
120.99660	0.2
122.02500	0.7
122.06156	0.1
123.03286	6.0
124.04160	0.2
124.07702	1.1
130.06441	0.1
132.02156	0.1
136.07724	0.5
137.04861	1.0
137.05873	0.2
138.05632	100.0
139.05989	4.1
139.07643	0.2
140.07123	0.2
145.03001	0.4
148.07727	0.2
150.05627	0.3
152.03549	0.4
152.07217	1.6
157.02960	0.2
162.05553	0.2
166.08766	0.5
167.05898	2.2
168.06638	0.6
169.98813	0.2
173.02434	0.4
180.06682	5.6
181.06998	0.3
185.02483	0.6
189.02121	0.2
192.06697	0.2
201.01971	0.6
210.07747	0.6
216.00636	0.3
217.01418	0.2
226.99843	0.4
229.01381	0.9
240.08737	0.2
243.99953	0.2
245.00906	0.4
257.00772	0.5
271.99319	0.3
283.99631	0.9
292.77609	0.2
299.96118	0.1
299.99152	4.0
300.10898	18.7
300.99902	20.0
301.10989	1.6
301.16580	0.2
301.69901	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1502
Annotation	Cycloparvifloralone
Peak:m/z	Relative Intensity
55.01869	0.8
56.98017	1.1
57.03450	12.9
58.00593	0.9
59.01378	18.9
61.98828	4.0
69.03430	1.6
69.63119	5.8
71.01388	8.9
72.99308	0.7
74.99091	3.9
78.95935	0.9
81.03478	0.8
81.07129	1.5
83.05030	28.5
85.02949	3.1
87.00882	89.7
88.01210	1.3
89.02455	9.7
93.03471	14.2
95.01378	0.9
95.05029	2.3
96.97021	0.8
98.19830	1.0
99.92537	1.0
101.02440	4.6
107.05031	1.2
107.08688	2.1
109.02992	1.2
109.06580	1.0
111.08222	1.2
113.02446	4.8
115.77299	0.8
119.03510	3.5
119.05048	1.1
119.08698	1.9
121.02950	1.0
121.06623	4.0
123.08178	18.9
124.05309	1.1
124.08516	1.0
125.02460	1.6
125.06124	0.8
125.09720	1.1
136.01682	3.0
137.02467	35.7
137.06033	1.5
137.09761	1.9
138.02827	2.1
138.05637	5.5
139.07695	3.9
145.02943	2.5
145.10208	2.2
149.02396	1.5
151.07664	29.6
152.07953	0.9
153.01961	1.0
153.05496	1.1
153.09241	1.9
169.01431	1.3
169.08717	85.5
170.09084	5.5
171.11807	13.1
179.03505	7.2
189.12865	5.6
201.12885	4.1
207.14043	4.1
209.04581	0.8
219.13933	1.5
237.14972	27.0
238.15222	2.4
239.05605	3.4
255.16000	11.4
256.16327	1.0
270.98746	0.9
281.13913	12.2
282.14377	1.1
298.98474	1.2
299.07809	18.6
299.14966	100.0
299.98996	2.2
300.07916	1.9
300.15302	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	299.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98045	1.5
57.03445	3.8
58.00589	3.1
59.01379	100.0
61.40777	0.6
61.69254	0.7
69.03462	0.8
71.01385	40.9
71.05026	0.8
71.29530	0.7
71.94444	0.7
72.99321	3.3
73.02960	0.9
74.99100	12.9
74.99495	1.2
83.01419	2.2
85.02952	6.9
87.00883	4.4
87.84271	0.9
89.02454	57.0
90.02768	1.1
95.01411	3.3
95.05056	1.0
97.02975	1.7
98.19828	1.7
101.02454	23.4
107.05056	1.7
113.02467	17.9
114.62229	0.8
114.77291	0.7
119.03520	23.7
119.05005	10.7
120.99680	1.6
121.06638	3.2
122.52728	0.7
123.03275	0.7
123.08192	3.3
125.02477	1.7
125.06099	1.0
131.03535	2.5
133.06606	1.0
134.06148	0.8
135.04561	1.7
135.08151	1.1
137.02478	0.9
137.06082	3.5
138.05630	15.4
138.57106	0.7
141.09293	1.9
143.03532	2.3
144.05881	2.0
145.03014	2.1
149.04565	1.6
149.09741	4.5
151.00380	1.2
151.04056	3.4
151.07661	4.3
158.06279	0.9
158.07358	5.1
159.08148	2.1
160.01685	0.9
161.04579	2.4
161.05931	0.9
161.09770	1.3
163.07628	3.5
165.05637	1.0
165.09251	3.9
169.01505	1.0
172.01640	0.8
173.09723	4.4
175.11292	1.2
177.09215	23.7
179.03625	0.8
179.05568	5.2
179.10820	1.8
180.06613	1.2
180.92416	0.7
187.00343	1.2
188.08510	2.1
191.10783	14.2
191.21620	0.9
199.00626	0.9
200.01210	1.3
201.02228	1.2
203.10791	8.9
205.08673	1.3
209.11844	6.1
214.99908	1.9
216.00697	1.8
221.11836	14.4
222.12228	1.6
237.04308	3.5
239.12866	19.0
240.13326	1.1
241.06108	0.8
242.99437	2.8
243.99953	1.1
270.98926	8.0
271.02536	2.5
271.99545	0.9
281.04138	0.9
298.98425	6.1
299.01892	1.4
299.05292	0.7
299.11447	11.6
299.16736	2.0
299.25919	1.0
299.99081	18.9
300.11084	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	299.0773
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
55.01878	1.2
57.03436	1.8
58.00589	2.6
59.01380	80.5
60.01716	1.0
63.41340	1.1
69.84161	3.5
69.84572	2.1
71.01386	41.9
71.75599	0.9
72.99309	3.7
73.02938	1.8
74.99100	3.5
83.01382	1.8
85.02962	7.4
87.00887	1.8
89.02451	43.6
90.02823	1.3
93.03471	26.9
95.01417	4.2
101.02460	21.3
101.03146	1.1
105.29967	0.8
107.05013	1.8
108.02159	1.2
113.02464	16.4
119.03525	12.3
121.02975	2.5
125.02489	1.8
131.03548	1.4
135.04509	2.7
136.01723	7.5
137.02461	95.2
138.02797	4.0
138.05637	1.5
143.03549	1.0
145.02910	1.1
149.02515	2.1
151.03995	6.5
169.01428	1.1
179.03517	50.3
180.03844	2.4
190.91060	0.9
191.03658	1.0
196.92059	1.0
209.04558	6.7
209.11444	0.9
239.05620	23.2
240.05977	2.5
299.07715	100.0
299.99057	1.7
300.08096	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	299.0198
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
59.01383	4.0
61.98811	0.4
63.02404	2.9
65.00308	2.3
67.99875	0.4
71.76389	0.7
71.76743	0.4
74.99086	1.3
83.01380	1.0
83.05032	0.4
89.00336	0.6
89.02504	0.4
105.17613	0.4
107.01392	2.7
109.02986	4.5
109.22610	0.4
115.05611	0.5
119.01447	0.4
123.00907	0.5
131.05075	0.5
133.02969	7.4
135.00795	0.8
137.02435	0.5
138.05624	0.8
143.05055	3.4
145.03018	2.2
147.00920	0.5
147.04523	0.8
151.00365	1.6
153.03503	0.6
154.57068	0.4
155.05060	0.9
157.02957	2.1
161.02464	0.7
161.06143	0.6
163.04001	0.4
165.12817	0.7
169.01485	0.6
170.03758	0.5
171.04530	6.6
173.02440	1.6
175.03998	3.8
182.03777	0.9
183.04539	0.6
183.13869	1.1
185.02484	0.8
187.03978	2.7
189.05533	0.6
197.02461	1.3
198.03207	2.0
199.04019	12.7
200.04362	0.7
201.01947	4.3
203.03497	0.6
207.10257	1.2
213.01915	0.6
214.02664	0.8
215.03496	5.1
226.02672	2.7
227.03485	5.2
227.12813	1.0
242.02182	1.6
243.02953	6.6
255.03003	1.1
271.02463	67.3
272.02795	5.5
282.01743	0.5
285.06985	0.4
299.01971	100.0
299.16241	1.6
299.25876	1.2
299.99020	2.1
300.02335	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	297.2437
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
56.91462	0.2
59.01382	2.8
59.61161	0.2
60.06579	0.2
61.98827	0.3
66.85687	0.2
71.01386	0.4
71.09406	0.4
71.09776	0.4
89.02462	0.2
93.82339	0.2
101.02446	0.3
101.25167	0.2
113.02422	0.2
150.57680	0.2
164.52533	0.2
183.01219	3.1
184.01854	0.4
185.16406	0.2
197.02711	0.3
216.00983	0.3
223.20665	0.2
237.09708	0.5
251.23772	1.0
279.23242	1.0
295.22821	0.8
297.15430	7.3
297.24344	100.0
298.15643	0.8
298.24683	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	297.1192
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
59.01380	100.0
60.01691	1.2
66.05248	1.2
70.20173	1.1
71.01385	27.5
71.30781	2.1
72.99319	2.0
73.02953	5.2
83.01412	2.6
85.02954	9.7
89.02456	24.5
95.01410	2.3
99.00903	1.6
101.01856	1.8
101.02462	18.8
109.84477	1.1
113.02470	15.0
116.94574	1.3
119.03520	9.4
124.39767	1.2
135.06654	18.2
143.03505	2.2
149.04454	1.3
159.02982	2.1
161.04570	15.8
179.05602	7.9
184.01485	1.2
217.38708	1.2
237.09778	21.5
253.73770	1.7
297.08713	2.3
297.11942	32.1
298.12271	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	297.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
55.71031	0.8
57.03440	3.2
58.00591	3.4
59.01379	100.0
60.01720	1.3
60.53871	0.7
66.09821	0.7
71.01385	51.7
71.71806	1.4
72.99297	4.5
73.02573	1.3
73.02952	13.7
75.00880	3.8
83.01398	4.7
83.05027	15.2
83.98099	0.6
84.59366	0.8
85.02961	15.7
87.00900	4.2
87.04525	1.7
89.02452	57.9
90.02769	1.1
95.01421	3.7
97.02956	0.8
99.00884	3.3
101.02453	40.1
101.18327	0.7
102.02780	1.2
103.04044	0.9
105.01951	23.1
109.06628	1.5
113.02463	21.1
114.16756	0.8
117.01954	12.1
117.05600	4.3
119.03517	23.2
120.99599	0.8
121.06542	0.9
125.02437	2.1
131.03543	2.3
133.05051	1.0
135.04507	1.3
135.06651	31.8
137.06140	0.8
143.03499	5.3
147.08150	1.3
149.04549	1.8
151.00514	0.7
151.07602	1.2
153.05573	4.7
159.02991	2.0
161.04579	17.1
179.05649	12.9
187.11302	3.1
202.83385	0.9
205.12305	3.6
220.23158	0.9
235.13399	3.6
237.09840	4.6
294.07062	0.8
297.08289	7.1
297.11597	62.3
297.24359	2.1
298.12012	4.1
303.00607	0.8
312.92200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03440	0.8
58.00589	1.5
58.78160	0.3
59.01378	33.1
60.01692	0.4
71.01385	20.4
71.37107	0.7
72.01693	0.3
72.99320	2.4
73.02950	3.5
74.99084	0.8
75.00877	26.6
78.95882	2.0
79.00317	0.2
80.92358	0.3
80.96492	0.3
82.06020	0.3
83.01403	1.8
84.76900	0.3
85.02955	4.9
87.00882	5.7
89.02450	17.4
90.02779	0.3
95.01408	1.5
96.96004	1.4
99.00890	5.3
101.02454	14.0
102.02811	0.3
105.01939	1.1
105.83965	0.3
113.01683	0.4
113.02463	6.9
115.00378	0.7
117.01962	5.3
119.03518	7.2
120.03819	0.3
120.99667	0.4
126.98853	0.5
128.98506	0.4
129.01976	0.6
131.03506	0.9
135.03006	1.8
136.99126	0.5
143.03499	0.6
147.02994	1.0
149.04593	0.3
150.05612	0.4
154.90602	1.0
161.04597	1.3
168.99924	0.5
177.81355	0.3
179.05637	1.1
186.97711	0.5
198.90540	1.7
210.90947	0.5
216.90762	0.4
226.59355	0.3
228.98816	0.5
236.06740	0.5
237.06139	8.9
238.06517	0.4
254.91466	0.3
261.06326	0.4
270.99899	1.3
278.87103	2.5
279.07285	0.9
296.87585	0.8
297.08264	100.0
298.08591	7.2
298.11774	0.6
303.96823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67382	0.3
55.01888	1.5
57.03439	0.6
58.00586	1.4
59.01381	35.0
59.32211	0.3
60.01716	0.4
71.01389	22.9
71.11375	0.3
71.41526	0.4
72.01728	0.5
72.99312	2.5
73.02959	3.4
74.99100	0.8
75.00882	29.5
76.01191	0.5
78.95911	2.1
80.96508	0.5
83.01402	2.0
85.02960	5.9
87.00885	5.8
89.02456	19.9
90.02033	0.2
90.02739	0.3
91.04034	0.4
95.01385	1.2
96.96021	1.7
96.97014	0.4
98.95541	0.3
99.00897	5.1
101.02456	16.5
105.01937	1.2
113.02467	7.5
115.00372	0.5
117.01961	5.6
119.03519	7.8
120.99677	0.4
126.47705	0.3
129.01976	0.4
131.03508	1.0
135.03012	2.3
136.94012	0.4
136.99123	0.7
143.03494	1.2
147.03001	0.9
149.04575	0.8
154.90663	0.6
159.02994	0.5
161.04567	1.2
177.23738	0.3
179.05664	0.9
195.59644	0.3
198.90509	1.9
210.90891	0.4
216.91351	0.3
228.98691	0.7
237.06157	8.7
238.06671	0.5
262.93875	0.3
263.44092	0.3
263.93784	0.4
270.99817	0.9
275.93356	0.3
278.87164	2.1
279.07315	0.7
296.87582	1.0
297.08286	100.0
297.24286	0.8
298.03482	0.3
298.08649	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03441	0.5
58.66238	0.4
58.75228	0.3
59.01367	1.6
59.82066	0.3
63.49123	0.4
69.03474	0.4
69.63591	2.8
81.35265	0.4
82.69390	0.4
89.87658	0.4
98.19788	0.4
99.08187	0.6
125.09710	1.0
127.11327	0.6
141.12848	1.1
171.10283	30.9
172.10617	1.4
183.10245	0.8
195.13930	1.2
224.66891	0.4
233.22696	0.7
239.82231	0.4
259.20694	0.4
277.21716	41.0
278.22086	4.0
294.05991	0.4
295.22781	100.0
296.23105	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	295.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
57.03450	4.1
58.00602	4.5
59.01381	100.0
60.01724	1.1
61.98826	1.8
68.99831	0.6
70.91344	1.5
71.01386	75.7
72.01743	1.2
72.99309	5.2
73.02952	11.3
73.03339	1.0
74.59511	0.5
75.00882	2.9
75.94859	0.6
83.01397	7.0
85.02961	25.1
85.06586	0.6
86.03299	0.6
87.00893	3.8
87.04533	1.8
88.81418	0.7
89.02455	62.8
90.02753	1.2
95.01395	5.7
97.02952	0.9
97.06598	1.0
99.00886	5.5
101.02459	58.9
101.06078	1.7
102.02773	1.6
113.02468	31.3
114.02782	0.9
115.00357	0.8
115.04017	1.9
115.07663	1.3
119.03519	24.3
120.99601	0.7
122.02422	0.8
125.02440	2.0
129.01903	0.9
131.03467	1.9
133.01462	1.1
133.05064	1.3
133.08740	7.4
135.04457	0.8
143.03513	4.9
145.99434	1.4
149.04538	1.4
155.88760	0.5
159.03004	3.5
161.04579	24.7
162.04973	0.5
164.96298	0.8
171.97388	1.5
179.05624	3.3
189.05502	0.7
203.93279	0.6
205.03513	1.1
207.02908	1.1
237.05963	0.9
249.43216	0.5
251.05565	0.9
295.10104	68.7
295.13742	31.6
295.17123	1.6
296.10477	5.1
296.14111	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	295.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84768	0.5
55.01870	1.2
57.03445	1.3
58.00590	2.2
59.01382	49.1
60.01721	0.6
68.82193	0.5
71.01387	25.0
71.05011	0.9
71.71659	0.7
72.01795	0.6
72.99297	2.1
73.02959	1.6
73.08494	0.5
75.00248	0.6
75.00881	31.0
83.01402	1.9
85.02962	8.0
87.00884	1.7
89.02452	31.4
90.02773	0.7
95.01404	2.6
99.00900	1.2
101.02456	18.4
103.00394	1.1
113.02458	10.2
115.00390	1.5
115.04029	7.7
117.01979	0.5
119.03519	11.8
120.99621	1.0
131.03503	1.3
133.05099	5.3
143.03554	1.3
161.04579	1.6
163.03995	0.9
179.05595	1.7
181.80978	0.5
225.44084	0.6
235.08081	0.7
237.06172	16.9
238.06476	0.8
251.07735	1.1
295.10352	100.0
296.10693	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	295.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96751	0.3
53.13351	0.4
57.03439	1.3
57.97446	0.4
58.00591	1.5
59.01381	33.8
60.01719	0.4
62.17650	0.3
69.03452	0.6
70.41619	1.7
71.01385	22.0
71.05032	1.1
72.01714	0.5
72.83429	0.4
72.99311	2.9
73.02939	1.9
74.74135	0.4
75.00878	42.1
76.01201	0.5
83.01385	1.6
85.02956	7.9
87.00896	0.9
88.98817	0.7
89.02456	21.7
90.02792	0.5
95.01394	1.3
97.02970	1.0
99.00883	1.5
101.02457	14.5
103.00376	2.2
111.00877	0.5
112.98811	1.0
113.02464	7.7
113.79560	0.3
115.00392	9.1
115.04028	10.9
116.00755	0.5
117.01954	0.7
119.03523	6.9
120.99669	0.6
129.01927	0.6
131.03517	1.0
133.01443	1.5
133.05080	8.3
135.04535	0.5
143.03532	0.9
149.04538	0.6
161.04553	1.3
163.03975	0.6
169.16039	0.4
173.00882	0.3
178.54967	0.4
179.03676	0.4
179.05620	1.8
207.03017	0.8
230.41985	0.4
237.06151	19.1
238.06422	1.0
251.07701	1.2
295.10333	100.0
296.07376	0.7
296.10669	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63387	0.5
52.80373	0.6
55.01878	1.7
57.03451	2.0
58.00592	3.8
59.01381	84.1
60.01721	1.2
71.01389	42.9
71.05005	0.6
71.06462	0.6
71.06807	1.6
72.99303	2.9
73.02963	2.4
75.00887	1.2
79.62798	0.5
81.32988	0.5
83.01402	2.5
85.02964	9.3
87.00917	1.8
89.02456	49.1
95.01405	2.5
97.03004	0.6
99.00887	1.1
101.02460	28.5
113.02467	18.9
114.02794	0.6
115.04028	1.5
119.03516	21.1
124.10320	0.6
131.03528	2.0
133.05090	1.4
133.08751	1.3
143.03552	1.9
149.04567	0.9
161.04608	6.0
179.05652	2.7
187.95438	0.6
196.40709	0.6
224.16136	0.6
251.05698	0.7
295.10367	100.0
296.10703	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.7
59.01368	0.5
61.25903	0.2
61.98817	0.5
64.27450	0.3
71.01380	0.4
71.50311	0.5
77.52116	0.2
85.90589	0.3
89.66761	0.2
95.04981	0.5
96.96023	0.4
97.06582	1.1
105.98845	0.2
116.49153	0.3
120.74864	0.2
123.08192	0.8
125.08824	0.3
125.09731	5.2
139.11282	0.3
141.12909	1.7
149.09734	1.8
171.18259	0.3
177.12794	0.3
185.11839	10.4
186.12227	0.5
197.11810	2.0
209.11858	0.3
221.15494	0.5
223.29024	0.3
239.95990	0.3
249.22154	0.7
275.20145	0.8
280.30130	0.3
293.21210	100.0
293.64404	0.3
294.21530	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.0
59.01384	1.3
61.98834	0.3
63.52776	0.2
69.03473	0.3
70.46828	0.7
73.52349	0.2
83.05059	0.3
96.96020	0.3
97.06591	1.1
105.36179	0.3
109.06606	0.3
113.09736	8.6
114.10059	0.3
121.10271	0.8
123.08202	0.4
125.09742	2.7
126.10046	0.2
132.86256	0.2
139.11314	1.3
141.12878	0.7
145.62050	0.3
149.09741	1.3
167.10783	1.1
171.10287	1.7
173.31963	0.2
177.12822	0.4
179.10742	1.2
185.11847	5.4
195.13898	1.2
197.11830	1.8
221.15491	0.4
236.10553	0.5
249.22293	1.6
257.82187	0.2
275.20169	3.3
293.21213	100.0
294.21561	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	293.2122
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01370	2.8
59.63253	0.8
61.59483	0.7
66.95969	0.7
70.71275	2.6
88.10538	0.8
121.10252	32.7
122.10562	1.6
125.09759	1.2
127.11275	0.9
165.14514	0.7
167.72983	0.9
171.10300	63.2
172.10643	3.4
185.11839	3.0
197.39532	0.8
231.21162	4.4
275.20154	100.0
276.20575	9.3
277.03067	0.9
293.21222	56.9
294.21561	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	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
52.54459	0.5
57.03455	0.6
58.89188	0.6
59.01380	1.4
63.24028	0.5
98.19833	1.1
99.49642	0.5
100.76468	0.5
117.80553	0.5
126.90739	0.5
146.54356	0.5
166.38980	0.5
179.14415	1.5
189.61829	0.6
195.12230	0.9
195.13925	11.8
196.14474	1.8
200.39500	0.5
205.12399	1.1
211.13435	0.6
223.13390	11.0
224.13722	1.1
228.13580	1.2
256.13174	5.0
275.20126	9.0
293.21213	100.0
294.21579	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09721	0.4
55.01876	0.7
57.03448	1.0
58.00593	1.2
59.01379	35.3
63.66014	0.4
67.10484	0.4
69.74406	1.4
69.74833	1.8
71.01389	17.5
72.99319	1.6
73.02974	1.3
83.01395	1.5
85.02961	4.3
85.06596	13.6
85.07079	0.8
87.00915	0.6
89.02454	18.3
90.02858	0.6
95.01412	1.2
101.02448	13.0
113.02464	7.1
113.06109	2.9
115.07668	1.3
119.03521	7.0
125.02481	0.6
127.07680	1.4
129.05632	0.5
131.07159	56.7
132.07458	1.4
143.03487	0.4
143.07091	0.4
161.04639	0.7
173.08188	1.5
179.05640	0.6
187.64967	0.4
249.03004	0.8
293.12408	100.0
294.12775	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.088
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01881	3.8
57.03448	3.7
58.00582	4.8
59.01381	95.5
67.31921	2.5
68.99538	3.7
69.03507	2.5
71.01390	77.2
71.72400	3.3
72.99317	5.5
73.02956	40.5
73.70425	2.3
83.01392	8.8
85.02962	28.9
87.00898	6.2
89.02457	51.8
95.01400	5.4
99.00898	6.7
99.98836	2.2
101.02461	40.3
103.03994	7.8
112.98588	8.1
113.02470	100.0
119.03500	19.2
124.89310	2.4
130.08749	19.6
131.02536	3.2
131.03519	54.9
143.03482	2.7
149.58891	2.8
161.04619	17.4
202.92693	2.4
205.05392	2.5
208.97966	2.8
250.99011	5.8
281.65701	2.9
292.99908	13.1
293.08868	59.5
293.12387	9.1
294.00342	2.9
294.09113	4.6
297.80545	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	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01373	0.6
61.98825	0.3
71.06824	0.7
80.02705	0.5
97.06620	0.3
106.04253	0.4
114.51326	0.3
119.05051	0.7
125.06071	0.4
147.08186	0.4
148.08980	1.5
150.10521	0.8
151.11301	0.5
163.11302	0.9
165.12862	20.9
166.13258	1.3
175.04027	0.3
175.11266	0.7
176.11995	0.6
177.12813	0.5
186.15929	0.3
191.03662	0.3
191.14386	0.6
217.15875	0.5
219.03001	0.4
229.19588	0.4
245.19092	0.4
247.02440	3.3
247.20683	10.3
248.21007	1.1
273.18600	5.5
274.18851	0.7
291.19650	100.0
292.19989	11.3
301.01312	0.3
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
50.74223	0.4
59.01367	1.4
61.98833	6.1
67.74864	0.4
109.06490	0.5
162.83905	0.8
175.03993	1.0
191.03465	1.5
212.05574	0.6
219.02917	0.8
247.02461	13.2
248.02856	1.5
263.45676	0.5
291.01495	1.9
291.23288	100.0
292.23630	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.9
58.81956	0.5
59.01385	0.5
69.62357	3.5
83.05032	0.5
86.69804	0.4
93.07083	0.6
97.06596	2.1
111.53192	0.4
113.85309	0.5
121.10247	14.9
122.10625	1.2
123.08204	1.1
125.09743	7.5
130.88721	0.5
132.98222	0.5
135.46022	0.5
141.12898	1.2
147.08170	1.2
152.11563	0.6
165.12881	0.7
185.11853	13.1
186.12215	0.7
191.03659	0.6
195.13953	0.6
197.11781	3.2
203.03467	0.8
209.11842	1.4
211.13306	2.3
223.13454	1.0
247.02460	4.6
247.20691	1.2
248.02966	0.6
249.02754	0.5
273.18591	1.3
291.01465	1.0
291.19653	100.0
292.20010	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01384	2.7
70.42084	1.7
73.58887	0.4
81.03429	0.6
83.05058	0.5
89.03641	0.3
91.23944	0.4
91.46460	0.4
93.03468	0.6
95.05029	0.6
109.06586	0.5
111.08168	12.9
113.09780	0.4
119.05049	0.5
121.10255	0.8
137.09767	1.0
147.08206	0.4
149.09735	0.5
167.10799	2.1
175.04021	0.8
177.12860	1.9
179.10822	1.8
191.03519	0.9
195.13901	8.0
196.14185	0.5
203.03540	1.0
203.14534	0.4
210.95386	0.4
247.02432	5.9
247.20634	2.3
248.20999	0.5
273.18555	1.5
291.01425	1.1
291.19638	100.0
292.19995	12.4
306.81500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	0.5
78.79034	0.4
91.05556	1.7
103.05559	1.2
105.03478	9.5
115.05541	0.7
119.05045	7.2
121.03017	1.4
121.06545	0.5
130.04271	1.6
131.05060	4.5
132.02190	1.3
133.02983	1.5
135.04562	0.9
145.02983	1.9
147.04550	17.4
148.04897	1.0
149.02475	0.6
158.03764	3.0
159.04543	7.5
160.01651	0.9
160.04898	0.7
161.02452	1.4
163.04047	1.5
173.02469	1.6
174.03204	1.2
175.04027	82.4
176.04330	4.2
177.05600	5.9
190.02722	1.4
191.03529	7.3
201.02003	0.8
203.03516	54.1
204.03778	2.8
219.03012	2.5
221.04573	9.1
222.04950	0.8
229.84256	0.6
245.00793	0.7
246.01938	0.5
247.02473	100.0
248.02768	5.5
273.00500	1.3
291.01480	33.2
292.01901	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	291.0147
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
59.11759	0.3
67.61813	0.3
69.55106	2.5
69.55502	0.5
97.02923	0.3
103.99221	0.3
105.03434	0.6
108.29812	0.3
117.03455	0.4
119.05032	1.8
123.94008	0.3
133.02919	0.5
135.04565	0.8
145.02956	2.4
147.04547	3.4
159.04578	0.9
161.02393	0.7
163.04070	2.2
173.02452	3.5
174.03217	0.9
175.04024	3.4
176.01120	0.6
176.04395	0.4
189.01949	0.4
190.02745	2.2
191.03513	12.4
192.03862	0.8
201.01913	0.7
201.20995	0.3
203.03531	2.5
218.02319	0.5
219.02983	5.2
246.01711	0.4
247.02466	100.0
248.02805	7.6
279.49841	0.3
291.01462	15.6
291.07739	0.9
292.01773	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
61.98832	100.0
62.82299	0.4
71.05035	0.6
71.05348	0.4
96.96017	2.3
100.52423	0.3
107.45522	0.3
110.47876	0.4
138.72975	0.5
173.62064	0.4
175.04015	0.5
177.74857	0.4
180.95667	0.4
184.75522	0.4
190.02831	0.5
191.03557	0.8
203.03503	0.5
247.02493	6.5
267.64584	0.4
285.20453	0.4
291.01501	0.8
291.09155	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	290.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03271	0.5
53.97592	0.5
59.01371	0.5
61.98833	100.0
62.78634	0.5
70.89002	1.2
70.89373	1.0
99.06787	0.5
163.10754	0.5
175.04041	0.9
201.17813	0.5
227.12944	0.8
247.02451	6.2
291.01462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0719
Annotation	(+)-Catechin hydrate
Peak:m/z	Relative Intensity
52.99750	0.7
57.03451	5.6
69.03457	1.0
69.45893	3.3
69.46319	3.0
71.46058	0.7
75.17744	0.7
81.03459	4.3
83.01405	5.6
93.03458	2.2
95.01429	1.0
95.05042	7.3
97.02964	11.3
102.19356	0.6
108.02208	1.2
109.02972	42.8
110.03293	2.2
121.02985	6.4
122.03738	2.6
123.04546	31.1
123.05450	0.8
124.04876	0.9
125.02470	27.4
125.03414	1.4
126.02817	0.8
128.37439	0.6
133.03058	0.7
135.04555	3.1
137.02477	15.3
138.03275	1.8
139.04013	6.3
143.44078	0.6
145.03004	2.2
146.03738	2.1
147.04552	0.9
149.02472	7.2
150.03191	1.9
151.04033	18.6
152.04413	1.3
157.06630	1.0
159.04558	4.7
160.05238	2.1
161.02455	1.7
161.06110	8.1
161.88950	0.6
162.03206	2.2
163.03989	1.9
164.01201	5.8
165.01945	5.8
166.02722	1.1
167.03499	2.4
169.05714	0.6
173.06070	2.4
175.04024	3.6
175.07640	4.2
177.05643	1.6
179.03513	9.9
185.06091	1.4
187.04039	7.3
188.04816	6.4
199.07730	1.0
201.05536	1.9
202.06351	3.2
203.07159	18.3
204.07457	1.5
205.05078	11.7
212.04791	1.0
217.08783	0.9
221.08200	6.4
227.07118	3.5
229.04984	0.7
230.05838	1.5
231.03137	0.8
245.05634	1.5
245.08185	30.4
246.08522	2.3
247.06055	1.7
271.06094	1.2
289.07190	100.0
290.07532	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	289.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03970	0.1
55.56329	0.2
58.34565	0.2
59.01384	0.9
62.57463	0.2
63.81297	0.2
69.47137	0.9
69.47569	1.0
79.95747	4.3
96.96025	100.0
97.95982	0.5
110.97581	0.4
116.19627	0.2
121.03032	0.2
137.02426	0.2
147.08212	0.5
161.11865	0.2
179.23882	0.2
186.44574	0.2
191.07104	0.4
209.08212	0.4
245.04688	0.2
245.09422	0.2
289.03891	25.9
289.06900	1.0
290.04166	2.0
314.11102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9967
Annotation	3-O-phosphonohexaric acid
Peak:m/z	Relative Intensity
59.01367	1.5
61.56413	0.8
62.36803	0.7
69.60457	6.7
71.01391	4.8
72.99313	0.9
78.95909	39.5
79.95740	1.5
83.01389	1.0
87.00887	2.5
96.96024	77.1
96.96974	100.0
99.00877	2.6
111.00928	1.2
112.98801	1.1
115.00380	1.7
120.99653	4.1
124.98802	1.2
128.03525	1.2
129.01898	0.8
140.98369	1.5
142.99887	20.7
144.00221	0.9
173.00940	21.6
184.97649	2.1
186.97420	1.1
191.05684	1.0
199.00221	1.2
200.05681	0.9
202.98776	2.0
228.98355	1.2
245.49237	1.0
270.98557	1.8
288.99954	1.2
289.03281	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	288.1605
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01381	1.3
63.00668	0.2
70.08203	0.5
70.08624	0.9
74.05319	0.2
74.52077	0.3
81.03458	0.9
92.05063	1.0
93.03480	1.4
101.55373	0.2
107.03780	0.4
107.32103	0.3
108.04578	3.6
109.02970	4.1
121.02972	0.4
123.02645	0.2
124.01671	0.5
125.49619	0.3
134.02502	33.7
135.03331	7.1
136.04066	35.3
137.02505	1.6
137.04390	1.7
145.01285	0.2
148.04065	0.8
149.04842	1.1
176.03540	4.2
176.07097	0.3
177.04129	0.7
190.05144	0.5
196.63020	0.3
204.06631	0.5
288.16049	100.0
289.16330	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	287.1502
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
55.34357	0.2
57.03452	0.9
59.01379	95.0
60.01708	1.2
60.99316	0.2
61.98838	0.6
68.99765	0.2
71.69503	0.3
71.69917	0.2
73.96391	0.2
78.39944	0.2
78.90133	0.2
83.05067	0.2
88.33160	0.2
97.06561	0.5
99.03951	0.3
99.04531	2.2
109.06579	0.3
117.01045	0.2
125.02454	0.4
135.04549	0.2
140.08130	0.2
140.20479	0.2
149.09737	0.2
151.00424	0.2
163.11273	0.2
165.12878	2.0
167.10736	0.4
187.00377	0.3
189.12965	0.3
197.02844	0.2
207.13911	2.6
208.14108	0.3
209.11833	7.2
210.12170	0.6
214.99901	0.5
225.11469	0.2
225.14972	5.9
226.15326	0.6
227.12891	46.6
228.13188	4.3
228.15376	0.3
230.99304	0.4
251.12833	0.9
269.13940	13.0
270.14297	1.1
286.98523	1.3
287.14993	100.0
288.15323	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	287.1501
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
59.01380	92.9
78.33909	1.1
84.22897	1.1
99.04553	1.9
165.12830	1.4
207.13931	3.0
209.11787	7.0
225.14996	5.9
227.12888	44.8
228.13199	4.4
229.52829	1.4
242.23494	1.0
251.12923	1.2
269.13922	11.8
270.14365	1.3
287.14996	100.0
288.15353	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	287.2228
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
51.18849	0.4
53.18591	0.4
54.20951	0.4
59.01365	1.2
60.52283	0.4
71.42397	0.6
89.04523	0.3
97.06609	0.6
99.08176	1.9
129.09209	0.6
139.11327	0.4
141.12886	2.0
155.14502	0.5
186.40649	0.4
199.23608	0.4
225.04860	0.3
228.78757	0.5
241.21663	1.0
258.86725	0.4
269.21188	3.1
270.21616	0.4
285.20764	1.7
287.22275	100.0
288.22617	10.3
296.78421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15471	0.6
57.03439	1.0
59.01371	3.5
61.98824	0.6
65.00352	0.7
69.03469	0.6
71.68878	0.7
82.02983	1.8
85.96374	0.7
86.99099	1.0
99.76991	0.5
107.01438	0.7
108.02178	0.7
111.00903	0.8
125.02489	6.8
127.05158	1.3
132.04570	0.7
145.04099	0.8
151.89110	0.6
153.35367	0.6
157.06622	0.6
157.07718	1.5
158.06126	0.9
160.00739	5.9
169.01373	0.9
173.03558	5.4
177.05707	0.7
183.05669	10.9
199.08876	1.1
213.00571	0.6
215.04634	34.3
216.04939	2.0
219.19312	0.7
225.06689	1.1
227.05591	1.3
243.07822	3.3
254.07758	1.4
259.06079	2.9
287.01761	3.4
287.06760	100.0
287.10168	4.9
288.02518	0.8
288.03622	0.9
288.06967	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	287.0562
Annotation	Robtein
Peak:m/z	Relative Intensity
54.64282	1.5
56.31439	1.7
57.03440	6.8
59.01368	6.5
61.98830	1.7
65.00335	1.8
65.03959	3.4
67.01891	2.9
69.03458	3.2
69.53486	6.7
69.53909	7.8
77.03986	2.6
81.03467	2.1
83.01394	23.2
85.02989	2.1
93.03457	11.5
95.01398	4.8
97.02958	4.1
107.05047	4.0
108.02188	6.1
109.02967	40.5
111.00883	3.1
119.05038	3.8
121.02978	32.6
123.04463	1.8
124.01676	12.6
125.02464	65.6
126.02834	1.7
130.04195	2.0
133.02946	4.8
135.04546	16.0
137.02461	98.0
138.02812	3.4
139.04042	2.3
143.05103	1.8
145.06581	5.0
146.03798	1.8
147.04504	9.7
147.16032	1.7
148.05333	4.3
149.02458	39.4
149.06091	7.2
150.03214	10.8
151.00308	2.7
151.04028	14.1
152.04370	1.8
155.05017	3.3
157.06610	3.7
158.03687	4.7
159.04538	32.9
161.02463	20.0
161.06093	2.8
162.03253	4.1
163.04012	2.9
164.01176	7.6
165.01938	30.0
165.35262	1.6
166.02553	2.0
169.06621	1.7
171.04474	2.5
172.05237	12.3
173.06071	27.2
174.03209	7.2
175.04019	56.9
176.04591	5.3
177.01926	10.9
177.05557	18.9
181.06531	1.6
182.03743	3.9
183.04497	12.6
184.04945	2.6
187.03922	2.6
187.07579	1.8
189.05612	13.2
191.07178	6.5
195.04343	1.9
196.05258	2.1
197.06102	7.8
199.04013	9.1
199.07681	1.6
200.04709	7.4
201.01910	4.7
201.05580	57.8
202.05925	4.5
203.03520	13.8
204.04118	2.6
213.05658	4.0
214.06245	3.0
215.07133	13.7
217.05077	15.2
219.06628	22.0
225.05614	12.1
226.06189	1.9
227.03481	4.3
231.06502	1.7
241.05077	9.7
243.02911	7.6
243.06598	21.8
244.07045	2.5
245.04639	8.8
258.05225	8.9
259.06094	62.4
260.06415	4.6
269.04459	15.3
287.05606	100.0
287.14749	2.6
288.05832	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	286.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17018	1.0
59.01381	100.0
60.01707	6.7
61.01517	1.1
61.01785	5.9
61.98832	55.2
62.02138	1.3
65.58751	0.9
66.86364	1.0
69.74089	7.7
69.80247	1.0
70.33144	1.1
85.79801	1.0
99.04525	2.2
124.51239	1.0
125.02439	2.0
178.94029	1.3
207.13820	2.1
209.11879	4.2
214.99678	1.2
225.14934	4.4
227.12897	29.0
234.03755	1.1
255.01132	1.3
269.13934	8.3
286.04410	2.2
286.13788	2.3
286.98325	2.7
287.01831	1.3
287.09735	1.9
287.15015	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44334	1.3
59.01084	2.7
59.01376	50.7
60.01710	5.3
61.01804	8.9
61.98831	100.0
62.42706	1.4
96.96001	1.8
98.19836	4.2
106.40466	1.5
159.00922	2.3
184.07140	1.8
187.00398	2.6
209.11838	2.3
214.99889	4.0
225.14870	2.2
227.12918	10.4
229.68456	2.4
230.99353	2.1
269.13953	3.7
286.04327	3.0
286.98300	8.5
287.09155	2.3
287.14981	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
56.22549	0.3
57.03439	0.9
59.01387	3.7
71.54626	0.6
85.08353	0.3
97.07021	0.3
101.74654	0.4
105.71777	0.3
162.83580	0.3
187.89571	0.3
192.59616	0.3
194.66159	0.4
194.68196	0.3
205.82695	0.4
221.19185	0.6
223.20688	58.8
224.21013	5.4
241.21776	1.4
267.19635	31.7
268.20068	3.1
285.03900	2.2
285.20709	100.0
286.21027	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11305	0.3
59.01379	100.0
60.01722	2.0
61.01802	0.7
61.98841	0.9
98.20599	1.1
110.93687	0.3
119.33066	0.3
174.01573	0.4
175.04074	0.5
224.74643	0.4
225.11411	0.8
229.57346	0.4
278.87482	0.3
285.04184	2.6
285.07300	0.4
285.13449	1.6
285.16565	0.4
285.27081	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	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01718	1.5
60.76203	0.2
60.99187	0.4
61.01838	0.3
62.06273	0.2
63.38992	0.3
69.41577	2.9
73.02950	0.2
96.90425	0.2
102.98625	0.3
104.98217	1.0
111.65153	0.2
118.37364	0.2
121.98387	0.2
156.63918	0.2
225.15019	0.3
285.03976	1.9
285.12906	0.5
285.27234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01701	0.7
69.51582	3.3
104.98186	0.6
147.07333	0.3
173.98640	0.4
228.03807	0.5
229.05154	0.6
256.03424	0.5
285.04001	4.2
285.27356	1.0
286.04614	0.4
303.56723	0.4
306.12451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44902	0.5
57.03459	0.8
59.01378	100.0
60.01720	2.2
61.01796	1.0
61.98836	1.8
65.35860	0.5
65.87098	0.5
69.57278	2.7
69.57706	1.8
71.01381	1.0
87.00903	0.5
87.04509	3.0
93.03445	1.0
98.20616	0.6
102.98666	0.9
104.98218	1.8
107.01398	0.9
113.02534	0.6
125.93671	0.5
126.79507	0.6
129.20355	0.5
147.04578	0.6
154.04147	0.5
163.00349	0.8
185.02513	0.6
185.06203	0.8
187.04070	1.0
213.05630	0.7
220.07454	1.6
227.03384	0.7
228.03979	2.1
229.05054	2.4
240.04463	0.5
242.15265	0.5
249.11346	3.3
256.03384	2.9
257.04611	1.5
268.24268	0.5
285.00494	4.8
285.04050	23.1
285.13852	1.1
285.17123	2.5
285.27090	2.7
286.04434	2.3
286.17520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03453	1.0
58.00591	3.2
59.01380	100.0
60.01707	1.1
70.25697	3.0
71.01387	38.0
72.99319	2.8
83.01409	1.2
83.05053	1.0
85.02954	5.3
87.00907	2.5
89.02454	66.2
90.02800	1.4
95.01415	2.8
101.02456	16.1
101.03072	1.1
113.02467	17.0
119.03523	20.6
119.04948	4.1
120.99674	9.4
131.03552	2.6
143.03510	3.9
143.06067	0.5
149.04626	2.1
152.69716	0.6
161.04568	6.2
163.04005	1.0
176.38246	0.6
179.05626	16.6
179.07146	1.0
191.28246	0.7
225.16113	4.3
285.09842	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	285.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	3.5
59.01380	100.0
60.01701	1.9
70.25494	2.8
70.25893	1.9
71.01388	61.8
72.99311	3.7
73.02946	1.3
83.01353	1.2
85.02961	6.8
87.00883	1.9
89.02451	96.0
90.02769	2.0
95.01400	2.7
101.02452	25.3
113.02465	22.2
119.03523	29.6
119.05037	1.2
120.99666	2.4
121.08701	1.0
123.04507	1.2
125.02452	1.4
131.03523	4.8
143.03534	7.6
149.04536	3.5
153.48853	1.0
161.04585	6.9
172.25539	1.1
178.69298	1.1
179.04079	1.5
179.05629	23.6
203.67485	1.1
285.09811	1.7
296.33844	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	285.0769
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
52.52896	0.3
52.66827	0.3
56.69578	0.4
59.01380	4.3
61.75185	0.3
65.00327	12.5
68.99844	0.5
70.12971	1.6
83.01376	0.3
89.00343	3.9
91.01891	2.9
91.05602	0.3
93.03470	20.2
94.03817	0.7
97.02965	10.7
98.03313	0.4
98.19923	0.5
99.52319	0.3
105.84177	0.3
107.01407	0.8
108.02185	0.6
113.52066	0.3
113.65869	0.3
119.05044	100.0
120.05390	4.5
121.02973	5.0
124.01732	0.4
136.01707	0.8
145.02966	1.3
149.99602	4.2
151.00378	0.3
154.22722	0.4
163.00302	0.4
164.01173	1.1
165.01950	62.2
166.02271	2.6
166.57495	0.3
176.01221	0.4
177.02034	0.5
179.03488	2.4
183.02992	1.5
187.04030	0.8
191.03529	1.1
196.00145	0.5
221.74113	0.3
241.05107	0.4
242.05849	0.5
252.04190	0.6
266.24448	0.3
269.04446	1.5
270.05124	0.5
284.26776	3.5
285.04382	2.9
285.07675	57.2
285.20471	1.6
285.27036	1.5
286.08023	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	285.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53259	0.3
56.77649	0.2
57.38859	0.2
58.52761	0.3
59.01381	1.7
68.34864	0.2
70.25500	1.0
78.95911	32.6
81.03481	0.4
93.03474	0.8
96.96973	100.0
108.02188	36.9
109.03036	4.6
119.05042	1.2
120.99651	1.9
123.00937	0.4
123.04566	0.4
135.00992	0.3
137.02463	1.7
144.60507	0.3
151.03995	0.5
152.01169	25.3
153.01965	11.3
154.02255	0.5
163.04031	1.0
165.01947	0.4
168.99098	1.2
178.36342	0.2
179.78520	0.3
189.05676	0.2
220.23311	0.2
225.04083	0.3
284.26837	0.9
285.06149	26.9
285.27094	0.9
286.06516	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0617
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
59.01366	1.0
66.36309	0.3
69.92680	2.2
77.00536	0.3
78.95914	1.4
81.03469	1.0
85.02950	0.5
93.03480	0.4
94.22681	0.4
96.96959	3.2
108.02185	100.0
109.03024	13.1
110.03326	0.5
119.05037	0.7
120.99669	1.8
121.02950	0.6
123.04568	0.7
125.02451	0.5
133.03027	0.5
135.00929	0.4
137.02513	0.4
144.22842	0.4
151.04059	1.4
152.01172	62.5
153.01964	29.4
153.03278	0.6
153.49597	0.3
154.02304	1.1
163.04019	1.2
165.01962	1.2
181.05379	0.4
187.42705	0.4
202.35416	0.4
276.93686	0.4
284.26788	1.8
285.06174	71.9
285.27151	0.7
286.06537	5.6
304.69897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
63.02406	1.0
65.00340	0.7
67.01904	0.2
69.75159	0.5
69.75588	0.5
79.01888	0.2
83.01388	1.2
83.20107	0.1
85.14600	0.1
93.03465	2.8
95.01413	0.3
107.01411	1.4
108.02200	0.4
109.02990	1.0
117.03482	0.9
119.01427	0.2
119.05035	0.3
121.02964	0.3
121.50352	0.1
123.00909	0.4
123.04496	0.4
123.47436	0.1
130.04240	0.4
131.05049	0.4
133.02982	0.3
135.00911	0.6
137.02478	0.5
143.05046	1.3
145.02971	0.9
147.04530	0.2
151.00404	1.6
154.04311	0.8
155.05115	0.7
156.05760	0.2
157.02992	0.5
157.06592	0.8
158.03694	0.2
159.04561	1.4
161.02502	0.7
161.06091	0.2
163.00401	0.8
164.01230	0.4
165.01920	0.4
167.05034	0.8
168.05798	0.4
169.01474	0.5
169.06642	1.2
171.04544	1.1
173.02391	0.3
175.03918	0.2
182.03720	0.2
183.04512	0.5
184.05299	0.4
185.06102	2.2
187.04025	2.0
189.05565	0.3
195.04530	0.3
197.06134	0.3
198.03288	0.3
199.04025	0.4
201.05544	0.6
211.03999	1.2
212.04774	0.4
213.02048	0.2
213.05586	0.9
214.02710	1.2
215.03371	0.7
219.02994	0.3
227.03523	0.8
229.05037	1.9
239.03479	1.5
240.04193	0.5
241.05020	0.3
243.03061	0.8
255.02994	0.6
256.03711	0.2
257.04575	1.1
267.03043	0.3
268.03625	0.2
284.03412	0.2
284.26767	0.7
285.04041	100.0
285.27139	0.5
286.04379	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	281.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.3
57.03457	5.5
58.00600	4.6
59.01378	100.0
60.01707	1.1
71.01385	90.6
71.67413	1.5
72.01714	1.8
72.99323	4.3
73.02948	22.6
73.04192	0.9
75.00885	3.8
77.01259	1.0
83.01395	11.5
85.02959	35.7
87.00913	4.5
87.04527	3.5
89.02454	44.6
90.63853	0.9
91.31321	0.9
91.96300	1.0
95.01410	5.8
97.02966	3.1
98.19989	0.9
99.00895	8.6
99.04502	1.8
101.02454	76.8
101.06055	1.5
102.02806	1.1
103.03980	1.2
108.02093	1.6
113.02467	41.2
117.05613	1.0
119.03525	20.2
119.07136	14.7
125.02477	1.6
126.03127	1.4
131.03519	1.9
133.01587	6.4
143.03534	5.9
149.04536	1.5
150.04234	27.2
150.07735	1.3
159.03018	7.3
161.04578	48.6
162.05008	1.9
179.05634	7.5
194.02823	0.8
257.95132	0.9
277.86063	1.1
281.08939	4.0
281.12405	68.3
281.24759	2.6
281.28003	0.9
282.08377	6.8
282.12747	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	281.015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08926	0.4
59.01382	6.1
60.99308	13.9
68.82199	0.5
70.22089	2.6
70.22378	0.8
71.01391	6.3
73.02946	0.5
75.00880	1.4
78.14368	0.5
85.02953	5.9
87.00894	1.9
88.98818	100.0
89.02457	2.3
89.99147	1.2
95.01396	0.9
99.00867	0.7
101.02457	2.3
111.00921	0.6
112.98834	1.0
113.02462	6.0
119.03589	1.0
120.99743	0.6
122.06140	0.5
129.01976	0.8
133.01454	1.0
146.30800	0.5
147.46452	0.4
148.90134	0.9
149.00908	0.6
149.02390	0.5
153.80573	0.5
161.04491	0.4
165.04153	0.6
170.75639	0.5
205.07155	1.0
218.90569	1.1
261.92188	0.5
281.08813	11.6
281.24994	0.8
282.09207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1085
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
57.03429	0.6
58.00591	2.8
58.69305	0.5
59.01381	58.9
60.01725	0.6
71.01387	36.2
71.05025	5.1
71.71657	1.1
72.01719	0.5
72.99322	2.7
73.02950	1.7
75.00873	1.3
78.95908	1.5
79.57276	0.6
83.01393	1.4
84.27873	0.5
85.02969	6.6
87.00888	3.0
89.02459	39.2
89.82451	0.5
90.02801	0.6
95.01413	2.3
96.96027	0.7
96.96970	3.2
98.97382	0.7
99.00921	1.1
99.04534	20.9
100.04852	0.9
101.02461	20.8
101.06122	0.6
104.72411	0.5
105.01941	5.1
112.98838	0.8
113.01678	0.9
113.02468	14.1
113.06090	0.7
115.00384	1.0
115.92112	1.3
116.07223	0.7
117.01938	1.0
117.05597	39.8
118.05937	1.1
119.03525	16.3
119.04994	0.8
120.99651	1.1
122.99294	0.9
131.03514	1.9
143.03520	1.7
147.04544	0.8
149.06398	0.6
159.05321	0.5
159.06650	1.4
160.02684	1.2
161.04556	1.1
165.51997	0.5
173.06099	1.2
179.05663	1.9
191.03616	1.0
217.05110	0.6
235.02467	0.5
235.06071	0.9
261.03995	0.8
279.05072	3.8
279.10858	100.0
280.11224	7.7
290.01196	0.6
303.12381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.19706	0.5
59.01376	0.5
69.46599	4.3
233.22699	0.8
275.19983	0.9
277.21716	100.0
278.19257	0.9
278.22070	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	279.1086
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.49174	0.9
57.03432	1.0
58.00593	4.3
59.01380	100.0
70.91558	2.3
70.91964	1.8
71.01386	58.4
72.01727	0.8
72.99319	3.2
73.02922	0.9
83.01407	1.7
85.02961	10.0
85.39778	0.8
87.00906	2.3
89.02455	81.8
89.52126	0.9
90.02775	1.6
95.01419	4.6
96.20087	0.9
99.04533	48.6
100.04909	1.5
101.02460	35.8
113.02452	26.8
115.81895	0.9
117.05573	1.2
119.03519	37.0
120.03861	1.0
131.03531	4.0
137.42967	0.9
143.03548	4.7
148.05116	1.0
149.04626	1.8
161.04565	4.4
168.94408	1.2
179.05643	10.3
194.18642	1.0
240.36569	0.9
279.10849	17.3
279.23434	1.7
280.11163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.91158	0.2
54.13024	0.3
58.10849	0.2
59.01381	5.8
61.98814	0.3
69.39329	1.7
69.39752	1.0
71.01391	0.6
89.00317	0.8
92.99812	0.3
98.87795	0.2
127.07645	0.3
151.03178	0.3
160.98734	0.6
175.46631	0.2
183.39969	0.3
187.91405	0.3
198.32915	0.3
204.97775	0.3
205.15936	1.1
232.97336	0.4
233.19089	0.5
233.22726	0.3
235.13266	0.5
259.20560	0.6
275.19983	0.4
276.96216	0.4
276.99582	0.3
277.18250	8.6
277.21689	100.0
278.18481	1.4
278.22031	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	276.1605
Annotation	Huperzine S
Peak:m/z	Relative Intensity
56.57696	0.4
59.01370	1.3
59.94295	0.4
61.98820	0.6
62.80038	0.5
71.01384	0.6
71.66417	0.7
80.47249	0.5
85.02966	0.6
116.77634	0.5
119.07403	0.5
134.09773	38.8
135.10121	1.4
148.11366	0.9
160.98840	0.7
161.08476	0.8
163.73167	0.5
172.11276	0.8
175.10028	1.1
185.64664	0.4
187.96080	0.5
190.12383	100.0
191.12733	8.2
212.85834	0.4
276.16040	20.4
277.16473	1.4
277.21786	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	273.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80406	0.4
57.03448	1.7
59.01370	0.8
63.30519	0.3
65.00333	1.1
67.01904	0.9
68.99822	1.6
71.69504	0.5
80.19023	0.3
81.03466	0.7
83.01394	9.5
83.01871	0.6
85.02976	0.5
85.06606	1.1
88.26157	0.4
107.01437	1.7
109.02979	3.4
111.00854	0.4
125.02463	4.1
137.02357	0.4
140.52124	0.4
141.12846	0.4
145.02974	1.5
151.00392	12.3
152.00787	0.6
153.01958	100.0
154.02274	4.0
159.10295	0.6
173.02458	5.7
194.08176	0.5
201.01926	1.6
202.44562	0.4
212.42743	0.4
245.00894	4.9
245.04597	0.8
245.85820	0.4
248.38139	0.4
255.19652	0.6
271.19238	0.5
273.00394	6.0
273.03864	1.1
273.06805	0.7
273.20703	21.1
274.00720	0.7
274.21072	1.0
278.88013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47820	0.4
59.01362	1.4
61.98839	0.4
69.56344	0.7
69.56756	3.4
75.75445	0.5
98.20676	0.8
107.01409	0.5
119.05025	1.6
151.00372	1.5
178.93193	0.5
225.22244	4.7
226.22409	0.7
253.21690	1.5
269.21298	0.7
271.06070	2.2
271.22763	100.0
272.23126	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	273.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.9
71.37460	0.8
78.95910	1.9
83.93747	0.3
87.00878	1.8
87.01352	0.3
109.98587	0.4
110.98541	1.4
113.35590	0.3
117.00491	0.7
125.00969	22.3
126.01090	2.1
126.98899	32.5
127.98992	2.8
141.00551	0.5
141.97594	1.6
157.03540	0.9
159.01497	1.1
166.80550	0.3
168.99948	100.0
170.00081	10.3
183.01552	3.6
184.01735	0.5
185.03043	0.8
195.01572	0.6
211.01050	2.2
236.98947	0.7
254.99936	1.4
272.66074	0.3
273.04282	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	271.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66603	0.2
55.77641	0.2
59.01365	0.8
61.98843	0.4
65.00301	0.3
83.01386	0.3
91.28580	0.2
95.01383	0.2
98.19769	0.4
107.01432	0.3
109.02974	0.3
119.05045	0.9
131.99573	0.2
151.00386	0.8
170.60623	0.2
209.18919	0.3
211.20689	1.8
225.22314	1.2
253.21724	1.5
269.21207	1.1
271.06125	1.3
271.22760	100.0
272.06158	0.3
272.23099	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	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
56.79015	0.1
59.01365	0.5
60.11738	0.1
61.98812	0.2
69.59347	1.2
86.09753	0.2
102.74745	0.1
107.01398	0.2
114.37556	0.1
119.05026	0.5
146.84984	0.2
151.00369	0.5
174.01724	0.2
176.37851	0.1
192.89600	0.1
225.22237	4.3
226.22612	0.4
253.21712	1.8
254.22188	0.2
269.10501	0.2
269.21158	0.8
271.06113	0.6
271.22760	100.0
272.23099	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	271.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36494	0.4
59.01381	83.8
60.01723	1.0
61.67332	0.4
61.98839	0.7
64.52186	0.4
66.90086	0.4
67.01905	0.6
67.36211	0.4
69.90740	2.1
71.01394	1.2
72.99322	1.2
73.02962	0.5
79.14184	0.4
80.02684	0.6
81.03459	0.7
83.01398	0.9
83.05042	0.4
85.02973	0.4
87.00905	0.6
95.01504	0.4
95.88496	0.4
97.06616	0.5
99.00890	1.2
107.01443	0.5
108.02190	3.3
109.02969	100.0
109.39006	0.4
110.03313	3.7
111.00901	1.4
111.04562	0.5
112.98846	2.2
115.00401	0.8
117.01911	0.7
119.05027	0.8
123.00919	0.4
125.02476	1.8
125.06076	0.4
137.02397	0.5
137.06070	0.8
137.09712	0.5
139.07700	0.7
142.99870	0.9
145.38504	0.4
149.06133	0.7
151.00360	1.2
153.05595	2.4
167.07117	0.7
168.00697	0.5
169.01456	1.4
171.06610	0.4
173.00891	0.7
174.01715	23.9
175.02161	1.1
181.08717	6.2
211.02451	3.1
211.06096	0.5
213.05600	1.3
227.05675	0.5
241.05087	3.0
242.05817	0.5
256.07346	1.8
270.98654	0.4
271.02222	0.5
271.04758	1.9
271.08411	2.7
271.10345	0.6
271.15656	0.4
271.22742	1.7
272.04752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03436	0.3
59.01385	2.1
61.98819	0.9
64.99961	0.2
65.53899	0.2
66.13450	0.2
68.17930	0.1
68.98829	0.1
68.99828	0.2
69.03462	0.4
69.69160	0.4
69.69587	0.8
69.83979	0.2
71.01387	8.0
71.80678	0.1
72.01707	0.3
72.99303	0.4
73.02951	2.3
78.95916	0.5
81.03478	0.4
83.01379	0.9
85.02957	3.9
87.00861	0.4
89.02455	0.7
95.01398	2.0
96.96976	1.5
97.02934	0.4
98.19864	0.3
99.00881	1.6
101.02457	4.9
107.01418	0.3
107.05047	0.5
108.02190	100.0
109.03043	10.2
110.02552	0.2
110.03290	0.4
111.00902	0.6
112.69158	0.2
113.02463	4.0
119.05032	0.4
121.02251	0.2
121.02944	1.2
122.03809	0.2
123.00893	1.8
123.04558	1.5
124.01660	0.5
125.02464	3.3
127.00434	0.2
130.08763	0.4
133.02985	1.1
134.03773	0.3
135.04514	0.6
136.98796	0.3
139.00392	0.8
140.01181	1.1
142.99916	0.3
143.03503	0.4
151.00388	0.6
151.02773	0.2
151.04013	4.7
152.04384	0.3
159.03056	0.9
161.04585	6.2
163.04015	2.0
165.01927	0.2
167.03484	0.3
168.00658	2.7
169.01451	3.7
174.99219	0.5
177.01872	0.2
179.02135	0.2
188.92818	0.2
211.02492	8.8
212.02863	0.5
241.04996	0.2
271.04544	7.6
271.08029	1.0
271.22736	0.4
272.04898	0.5
272.09860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	1.2
59.01378	3.1
69.61428	2.0
69.61859	4.9
70.37823	0.8
71.01378	2.8
72.99319	1.6
73.02947	1.3
74.02494	1.5
83.01398	3.0
86.02457	1.0
87.00887	1.2
98.19878	1.6
99.00861	2.3
99.05656	2.8
108.02198	1.2
109.06594	2.0
111.00928	1.9
112.98820	7.0
121.06534	0.8
125.06097	1.2
128.03545	6.3
137.06154	1.1
139.07657	0.8
142.99873	3.9
143.04652	13.0
153.05586	2.5
167.07166	1.2
173.00934	2.2
174.01715	100.0
175.02066	4.2
179.04677	1.0
187.00774	0.9
193.05115	1.4
210.08931	1.5
242.99538	1.1
269.52750	1.0
270.98987	1.5
271.08035	3.1
271.11368	1.1
271.22711	1.4
272.08929	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	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.7
61.32391	0.8
61.98807	1.3
71.01386	2.3
71.68982	0.8
71.69392	0.9
71.89613	0.9
74.42364	0.9
83.01394	2.2
85.02995	1.1
90.64071	0.9
99.00909	4.1
108.02167	1.0
109.02916	1.3
109.06618	2.4
111.00916	2.0
112.98843	5.5
115.00382	1.6
119.05019	1.1
125.02456	1.5
125.09753	1.0
137.06122	1.1
139.07681	1.2
142.99861	3.3
149.06046	1.0
151.00369	1.5
153.05577	4.1
167.07201	2.2
169.01509	1.1
173.01001	1.2
174.01709	100.0
175.02106	4.9
193.05104	2.0
211.02422	1.8
227.12852	0.9
271.02280	2.0
271.08102	7.7
271.10956	1.6
271.15530	1.6
271.22800	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	269.1759
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
57.03448	3.8
59.01362	1.2
64.59508	0.5
65.00336	0.9
70.50738	1.5
71.01382	1.5
71.05018	4.0
72.02175	1.7
73.02953	8.8
85.02958	1.9
87.04526	100.0
88.04868	2.2
97.06579	0.6
99.04536	4.4
107.01397	1.3
114.45997	0.5
117.03491	4.3
125.09748	0.8
137.09743	1.9
149.02480	1.7
151.00386	1.8
159.04529	0.6
189.16525	0.8
207.17526	8.5
209.15422	1.4
225.05513	0.6
225.15057	0.7
227.85771	0.5
234.20056	0.5
251.16527	0.8
269.01413	0.7
269.04541	21.7
269.17569	75.8
269.21014	4.3
269.24899	2.8
270.04907	2.0
270.17908	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	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02076	0.4
55.33907	0.5
55.95644	0.5
56.03400	0.5
56.32280	0.5
57.03451	2.9
57.05377	0.4
59.01380	100.0
60.01725	1.2
66.72255	0.6
69.48884	5.0
71.05015	0.8
76.22401	0.5
83.05049	1.6
87.00905	1.5
97.06614	1.3
99.04537	2.9
109.06611	1.3
121.06602	0.8
136.42714	0.5
161.13437	0.6
165.12862	12.9
166.13272	0.7
181.12494	0.7
189.12950	1.7
191.10800	1.3
207.13914	24.7
208.14241	1.5
209.09833	1.2
209.11838	22.2
210.12186	1.6
225.14972	13.4
226.15327	1.1
251.12907	9.5
269.13931	89.7
269.21274	1.9
270.14307	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	268.031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.8
60.01713	0.4
61.98833	100.0
63.80089	0.3
70.15531	0.6
70.15946	1.2
71.01387	1.1
72.01736	0.6
85.02953	0.6
89.02433	0.4
98.19980	0.7
101.02483	0.7
113.02489	0.4
114.02806	0.4
135.03149	0.6
142.99878	0.4
235.69226	0.4
268.07684	2.0
268.10815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1238
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.00907	1.3
57.03450	17.1
59.01380	100.0
59.32477	1.4
60.00230	1.3
60.99317	1.4
61.98839	1.7
69.03458	19.9
71.01390	5.8
71.05023	2.6
73.02957	3.7
80.91987	1.4
81.03479	1.5
81.07132	1.6
83.05037	9.4
85.02963	2.6
87.00880	4.3
89.02439	1.7
95.05021	2.8
96.96024	3.7
96.97012	3.0
101.02444	5.4
108.95078	1.4
111.08159	6.2
113.02446	5.1
113.06096	3.4
133.10234	3.9
135.00876	1.5
135.08220	1.6
135.11801	8.8
137.09743	4.9
140.45792	1.7
155.07132	4.3
161.04662	1.4
161.13387	2.7
163.11252	1.9
176.04695	1.5
178.99840	1.7
179.10797	27.1
187.11256	1.6
188.90073	1.2
191.07176	2.1
197.11855	8.0
207.10287	2.6
223.13411	45.8
224.13678	4.5
249.07765	2.1
249.14789	1.9
266.97864	1.6
267.08600	5.6
267.12491	6.8
267.15973	80.4
268.16360	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	267.1237
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03451	3.4
59.01381	100.0
60.01707	1.0
60.25200	0.4
69.74832	0.8
69.75235	2.7
71.01405	0.6
71.05036	2.3
79.95756	0.6
83.05051	1.4
83.13743	0.5
87.00909	2.2
98.20585	1.0
112.33173	0.5
138.45166	0.5
161.09807	0.6
161.13393	2.0
163.11322	2.2
170.27118	0.5
177.12895	0.5
191.07159	0.5
205.01534	0.6
205.12415	1.1
207.10258	2.8
223.13403	46.9
224.13777	3.9
236.09659	0.8
267.08765	1.6
267.12448	6.1
267.16129	0.8
267.74460	0.5
268.06659	1.1
280.42703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1237
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03452	3.0
58.34457	0.5
59.01381	100.0
60.01717	0.7
61.98835	0.9
71.01403	2.7
71.05038	2.1
71.45695	1.2
73.02962	1.3
83.05054	1.7
85.02983	1.0
87.00871	2.7
89.02472	1.1
95.01483	0.4
96.96040	0.8
96.96944	0.6
101.02483	1.5
109.06593	0.6
113.02555	0.6
124.06187	0.4
135.11804	0.6
137.02419	0.6
161.04620	1.3
161.09756	1.3
161.13394	3.1
163.11343	1.3
167.10481	0.4
179.10980	0.5
187.11362	1.0
188.90103	0.6
205.12411	0.8
205.15965	0.6
207.10374	2.5
223.13403	49.4
224.13786	4.4
267.07068	1.0
267.12738	5.9
267.15753	3.8
267.18759	0.6
267.19943	0.5
267.23203	0.7
268.12827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03687	0.5
55.01881	1.4
57.03452	3.8
58.00587	0.7
59.01377	29.4
61.98835	6.5
68.99827	0.6
69.93785	3.6
71.01386	34.3
72.01714	0.9
72.99312	3.5
73.02963	2.9
75.00450	0.9
75.00876	12.5
83.01395	1.4
84.02190	0.7
85.02956	30.4
86.03310	1.2
87.00883	18.6
87.04450	0.6
89.02452	13.4
91.04008	1.1
95.01400	5.2
99.00892	8.2
101.02451	9.1
103.00368	2.1
105.01943	2.4
108.08640	0.5
109.02998	0.7
111.00880	0.8
112.01717	0.8
113.02463	38.9
115.00384	1.4
117.01936	2.0
119.03527	1.8
120.99673	1.5
129.01962	2.4
131.03439	1.0
134.79308	0.6
152.39217	0.6
157.01416	0.7
161.04581	2.7
169.01459	1.1
175.02528	1.7
179.03804	2.1
179.07080	0.7
205.07243	1.3
207.05147	1.4
224.68088	0.7
249.06113	4.6
262.80637	0.7
267.07208	100.0
267.10544	4.2
268.07590	5.9
268.10547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
69.38248	0.3
69.38647	2.0
71.01386	1.3
72.99318	0.3
75.00885	0.5
78.95908	38.7
85.02944	1.0
87.00896	0.5
89.02473	0.5
94.96210	0.2
95.01355	0.2
96.96972	100.0
98.20638	0.4
101.02473	0.5
103.40221	0.2
113.02457	1.6
113.06973	0.2
115.16621	0.2
119.52868	0.2
129.46536	0.2
144.24516	0.3
161.04590	0.4
168.99092	0.3
205.08641	0.3
267.06964	3.1
267.10831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.072
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.01859	0.8
57.03445	4.6
58.00576	0.5
59.01382	21.8
64.52540	0.5
69.03454	0.8
71.01387	29.0
71.34097	1.2
72.01712	0.5
72.99320	3.0
73.02943	0.9
73.42146	0.5
75.00880	13.8
78.95898	0.8
79.99567	0.5
83.01393	1.2
83.02893	0.6
84.02143	0.8
85.02959	27.0
86.03315	0.6
87.00378	1.0
87.00884	14.0
89.02454	9.3
90.08378	0.5
90.48235	0.5
91.04015	0.9
95.01402	5.1
99.00887	8.4
101.02453	2.3
103.00375	2.4
105.01965	0.8
112.01747	0.8
113.02461	36.5
114.02793	1.4
115.00354	1.6
117.01950	2.0
119.03502	0.7
129.01956	1.5
131.03456	0.6
157.01402	0.7
175.02499	1.4
180.75362	0.5
206.95566	0.8
207.05119	1.8
249.06146	4.2
267.07193	100.0
268.07590	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	265.2172
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
50.69798	0.4
56.20926	0.3
59.01380	1.9
61.98822	0.4
63.90405	0.3
79.95744	0.5
95.01402	0.3
96.96018	16.9
101.93835	0.3
116.32047	0.3
134.02116	0.3
138.67734	0.3
139.87619	0.3
147.79846	0.3
149.02412	0.3
154.63181	0.3
162.83829	0.6
247.20758	0.6
265.14822	16.5
265.21704	100.0
266.15143	1.0
266.22025	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	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49866	0.9
51.02373	0.8
57.03445	2.1
58.00585	4.2
59.01377	100.0
61.98815	1.0
67.28549	0.8
70.01433	5.3
71.01385	57.5
71.44015	0.8
72.01698	1.3
72.08060	0.9
72.99322	4.6
73.02943	2.8
83.01395	2.4
85.02957	56.8
86.03304	2.1
87.00877	2.5
89.02453	76.0
90.02769	1.5
95.01380	3.8
101.02455	36.8
103.04009	4.0
111.00912	0.9
113.02450	25.2
115.97879	0.8
117.05565	2.4
118.10944	0.9
119.03512	33.9
126.01706	0.8
131.03516	4.3
133.05013	1.0
134.04733	6.6
143.03481	4.1
149.04543	2.2
161.04556	3.2
176.92674	0.9
177.05743	1.9
179.05617	10.8
183.62488	0.8
265.06708	1.4
265.09286	23.6
266.09653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.5
59.01370	3.9
64.75887	0.7
66.03494	1.4
69.03451	5.5
70.02998	6.8
70.53387	1.6
70.53788	2.0
71.01383	4.8
71.90755	0.8
72.00900	1.1
72.99321	1.9
73.02950	1.7
75.00874	2.3
78.95905	2.5
82.03004	1.0
85.02959	53.8
86.02468	1.2
86.03290	1.4
87.00897	4.3
87.04520	6.8
87.37804	0.8
87.92542	2.1
94.02989	1.9
95.01403	1.0
96.00938	1.9
96.04563	100.0
96.96050	0.7
96.96955	2.2
97.02956	7.4
97.04906	2.7
98.02471	2.1
99.00902	8.1
99.04505	1.3
101.02429	1.0
103.92041	4.4
104.92850	1.4
105.01951	5.1
105.93614	0.8
108.04574	1.2
109.02940	1.3
109.43854	0.6
110.02473	1.4
111.00871	1.3
111.04541	1.6
112.04062	3.9
113.02483	1.4
114.02008	1.4
114.05618	1.2
115.04044	3.9
126.05628	1.9
128.03548	7.6
129.01961	14.3
132.98218	1.4
135.03033	1.3
138.05647	1.4
140.03574	4.0
141.01961	4.4
142.01477	20.8
142.96634	2.2
144.03046	2.3
145.96721	2.8
146.14090	0.7
157.99989	1.0
158.04607	18.1
159.03014	3.2
160.97646	1.5
161.96292	1.6
165.04063	16.0
172.02530	3.0
184.97691	3.3
188.05716	1.0
189.95695	0.8
199.94116	1.8
200.05658	1.3
202.00536	0.9
202.03590	7.7
202.98779	3.5
213.99030	1.0
214.98654	1.2
216.76678	0.9
219.05087	2.7
244.99648	0.9
252.77028	0.8
261.94022	1.3
262.05731	5.7
263.00824	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	259.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
80.02700	1.1
81.03465	1.2
83.01395	0.5
83.05032	5.9
83.23010	0.4
84.02165	3.1
85.63255	0.4
95.05027	0.9
101.06110	0.4
109.06615	0.5
112.40083	0.5
113.06095	0.4
119.38229	0.4
125.06147	0.6
125.09739	0.6
135.08170	0.9
163.11334	5.2
164.11642	0.7
164.13066	0.4
165.12900	2.9
170.60252	0.4
176.01138	0.7
179.78775	0.4
181.12384	0.7
185.31145	0.4
191.10770	1.1
209.11835	100.0
210.12158	8.1
227.12897	12.0
228.13130	1.1
259.02554	0.8
259.05896	0.6
259.19177	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	261.0879
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
58.02961	0.8
59.01380	7.1
61.99858	0.4
70.02985	9.6
71.70804	0.4
72.04548	4.5
74.02477	100.0
75.02809	1.2
82.29473	0.4
84.04566	1.7
88.07635	0.4
95.05055	0.4
98.02489	26.6
99.02826	0.4
105.90568	0.4
116.03550	57.7
117.03909	1.0
121.02950	0.5
128.03560	7.1
131.03789	0.5
132.04573	32.7
133.04895	1.6
144.04553	5.3
158.06097	1.1
165.01984	0.6
167.07159	1.0
170.45796	0.4
173.07220	1.3
175.08759	1.5
189.01923	0.9
199.08824	0.7
201.06700	13.8
202.07039	1.0
217.01469	0.5
217.09831	0.8
219.07835	3.3
219.12361	1.6
233.00809	0.5
243.07739	1.4
261.00409	1.8
261.04239	0.8
261.08795	33.1
261.22144	0.7
262.06229	0.7
262.09091	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	259.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68401	0.6
54.50111	0.6
58.06334	0.7
59.01374	2.0
69.41486	6.6
72.00915	8.4
80.91704	1.0
86.02487	47.4
87.02791	1.3
92.05071	47.7
93.05410	2.6
98.20578	1.2
116.05080	48.4
116.19478	0.6
117.05414	1.7
129.05833	1.8
134.06418	0.7
137.02454	0.7
142.06644	19.6
143.06151	1.7
143.07098	0.8
144.08234	5.8
154.06631	5.0
156.06955	4.1
169.07739	8.6
171.09297	49.8
172.09650	3.6
175.04216	0.7
215.08264	100.0
216.08592	7.7
259.03082	0.9
259.07288	20.3
259.11685	1.2
260.07480	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	254.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.7
60.01718	1.2
60.54892	0.3
61.98830	100.0
70.05718	1.5
70.06133	0.6
75.00885	0.8
98.19901	0.3
121.75268	0.4
137.17221	0.3
138.22636	0.3
142.99916	1.1
145.23201	0.3
200.65207	0.3
236.00569	0.4
239.57242	0.4
242.72307	0.3
245.06557	0.4
255.23296	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	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89007	0.4
59.01381	100.0
60.01722	1.6
61.98833	22.0
71.01393	1.6
71.32326	0.9
72.99310	1.0
79.90852	0.4
85.02952	0.9
87.00890	0.5
89.02478	1.9
101.02478	1.8
113.02455	0.7
121.02969	0.6
161.04645	0.7
167.19640	0.4
193.07188	3.2
194.07602	0.5
218.55855	0.4
253.03745	1.7
253.09384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2173
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
50.10328	5.0
53.47598	5.0
54.39241	5.1
58.47359	6.0
59.01384	55.8
61.98840	6.8
86.88513	5.0
98.19874	9.9
129.54944	5.3
193.07271	6.4
253.21751	100.0
254.22023	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	254.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58498	0.3
59.01378	2.0
60.01715	0.5
60.73566	0.3
61.98831	100.0
69.71897	0.5
69.72305	1.5
98.08769	0.3
98.20584	0.6
112.98808	0.3
137.13719	0.3
140.33998	0.3
142.99915	0.6
255.23317	4.7
256.40796	0.3
267.27713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06209	0.4
51.45991	0.3
52.37874	0.4
59.01379	100.0
60.01711	1.6
61.98831	41.9
69.92889	2.4
69.93212	0.5
71.01395	0.9
74.99110	0.8
77.93111	0.3
85.94291	0.4
89.09140	0.4
101.02457	1.3
113.02445	0.5
125.07313	0.3
150.03130	0.7
191.63882	0.4
193.03764	0.5
193.07191	4.6
225.37404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.7
57.03450	6.0
58.00574	3.2
58.08133	0.8
59.01378	71.5
60.01707	1.6
61.98819	1.7
66.45708	0.8
69.03452	1.2
69.76978	3.8
69.77393	1.4
71.01385	100.0
72.01712	2.0
72.99329	4.9
73.02949	36.5
74.03262	1.0
75.00864	3.4
75.88232	0.7
83.01397	18.8
85.02956	52.3
87.00880	5.9
87.04529	2.7
89.02448	17.8
89.06082	2.2
95.01395	7.0
97.02930	3.2
99.00893	15.4
101.02454	91.7
102.02782	2.3
111.00858	1.4
113.02460	40.4
114.02799	0.9
116.30546	0.7
119.03502	5.7
125.02439	1.8
129.01920	3.4
131.03549	1.4
137.82808	0.8
143.03516	5.4
159.03012	11.7
161.04578	53.5
162.04866	2.6
163.04262	1.6
191.05672	1.1
205.03563	1.1
206.93051	1.0
251.05652	3.0
251.11322	36.8
252.11642	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	249.1131
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
51.00800	0.4
59.01366	1.3
61.71933	0.4
69.03462	1.2
69.56002	1.3
69.56424	2.7
71.01382	0.6
74.90711	0.4
82.18518	0.5
83.83387	0.4
84.02166	0.9
96.96045	0.4
97.06600	12.6
98.06956	0.6
108.02147	0.5
109.00204	0.5
121.02970	7.9
121.41362	0.5
123.04566	0.7
133.02921	0.5
134.03778	0.7
135.04561	2.1
135.56442	0.5
142.88890	0.5
146.03749	6.9
147.04539	27.8
148.04887	1.8
149.06142	1.4
150.03271	1.0
151.03995	0.6
159.04532	5.0
160.05212	0.9
161.02451	2.1
161.06102	22.2
162.03262	0.6
162.06784	2.2
163.03992	0.7
163.07716	1.1
165.01984	0.7
171.04547	1.4
172.05295	4.3
173.06117	2.5
174.03258	0.8
175.04028	18.5
175.07628	1.1
176.04532	1.4
177.05598	1.8
179.03488	0.6
187.04160	0.6
188.04718	3.1
189.05585	10.3
189.09186	1.0
190.06357	21.2
191.06822	1.5
191.10771	1.2
201.05627	3.8
201.09267	0.8
202.06221	0.8
203.07062	1.6
204.07893	1.0
205.01497	1.1
205.05061	3.0
205.08487	0.7
206.05713	0.9
219.06705	0.8
219.10257	7.5
220.07404	71.1
221.07768	6.8
249.07758	4.4
249.11304	100.0
250.07726	0.6
250.11644	11.8
250.14421	3.0
251.25696	0.5
257.42551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19970	0.2
54.84066	0.2
63.02407	0.4
65.00330	0.5
65.31646	0.2
69.53424	1.9
75.02408	1.4
77.04050	0.2
79.01902	0.5
91.01903	10.1
92.02260	0.6
93.03506	0.6
95.01377	0.2
103.01913	0.2
119.01405	10.7
120.01748	0.6
121.02983	1.5
131.01462	0.2
137.02446	0.3
147.00902	28.2
148.01262	1.4
149.74440	0.2
165.01990	0.8
175.00378	13.9
176.00719	0.9
190.99881	0.8
202.99870	57.2
204.00194	4.0
218.99364	0.3
246.98828	100.0
247.30486	0.2
247.99158	7.2
259.91068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.9884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94495	0.2
59.01369	0.7
63.02402	0.4
63.29417	0.3
65.00315	0.5
75.02398	1.5
79.01873	0.4
86.68524	0.2
91.01905	9.2
92.02256	0.5
93.03470	0.8
95.01382	0.6
98.20653	0.5
103.01917	0.6
116.40122	0.3
119.01409	11.2
121.02955	1.2
131.01407	0.3
137.02486	0.4
147.00900	29.1
148.01273	1.5
165.01959	0.6
175.00389	13.4
176.00714	0.9
190.99911	1.5
202.99881	55.1
204.00209	4.0
218.99303	0.4
219.03036	0.3
246.98843	100.0
247.99158	8.2
248.01695	0.4
259.74997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98832	83.8
68.59071	0.6
69.44218	4.9
70.90080	0.6
72.99323	1.3
74.62703	0.7
78.95924	1.7
96.96998	3.3
97.02958	0.8
109.01663	0.9
111.00875	0.8
119.05058	1.5
124.01667	1.0
130.08759	1.8
135.04530	1.1
136.98756	0.7
139.00435	1.2
140.01199	1.8
142.06616	2.1
145.02959	2.1
147.04558	3.0
149.02486	1.1
161.02397	0.6
163.04016	2.4
168.00665	3.4
173.02428	3.1
174.02925	0.7
175.04048	3.4
183.03000	51.6
184.03421	3.2
187.04057	0.7
188.04605	1.0
190.02689	3.4
191.03523	10.8
201.02026	0.7
203.03535	1.2
203.07016	1.2
204.07381	1.8
210.07722	1.7
217.01543	0.8
218.02072	1.4
219.03004	4.9
228.08881	1.2
246.01537	2.9
246.08487	8.0
247.02469	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	245.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.1
58.00589	7.4
59.01378	18.4
61.98827	2.5
68.99806	1.1
69.03451	0.7
69.49200	5.2
69.49608	1.5
70.30570	0.6
71.01390	10.9
72.02160	2.9
72.99319	2.3
73.02947	2.9
73.59950	0.7
75.00906	1.2
78.19210	0.7
78.95927	2.4
80.02686	1.1
81.07097	1.7
83.01388	1.0
83.05033	0.9
84.02206	1.0
85.02957	2.7
87.00885	19.7
88.01232	0.8
89.02448	8.1
93.03480	0.7
93.07105	0.9
95.05035	3.1
96.97026	1.0
97.02986	0.7
97.06598	13.3
99.00913	1.1
99.04529	0.8
99.08163	8.2
101.02459	2.3
102.05640	0.7
105.01949	2.1
107.05062	1.1
108.02187	2.4
108.41451	0.6
109.03012	0.8
109.06590	4.1
111.00929	1.3
111.08173	1.4
112.01694	1.9
113.03617	0.7
119.05099	0.7
121.06606	1.2
123.04540	0.8
123.08173	0.8
125.06101	5.8
127.07671	100.0
128.08005	4.8
128.30818	0.8
129.01973	4.9
129.09248	5.3
130.08752	2.6
137.06100	7.6
139.07669	9.3
142.06638	2.0
144.00681	1.4
146.04622	1.1
147.03023	3.7
149.06120	1.6
153.09224	0.9
155.07162	39.2
156.07463	1.9
157.08731	3.1
158.09053	0.8
167.07152	3.7
169.08786	0.9
171.06630	0.8
185.08206	6.0
186.05664	1.5
187.09903	0.7
189.01924	1.1
199.09818	0.7
204.06671	1.9
217.01494	1.0
245.00893	2.5
245.08151	1.7
245.10349	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	245.093
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
50.81576	0.7
51.60662	0.7
52.35184	0.6
58.02977	24.5
69.83462	1.5
69.83878	3.0
70.02979	16.9
72.00914	4.8
72.04553	4.0
74.02480	100.0
75.02798	0.9
87.00893	0.9
98.02492	22.4
109.02975	1.8
116.03561	32.2
116.05073	33.5
117.05420	1.3
120.90902	0.7
129.05861	0.7
130.06667	4.8
142.06644	8.9
159.09293	6.6
182.35692	0.7
183.09308	2.0
186.05597	1.4
201.01926	0.8
201.10374	7.4
203.08273	86.0
204.08582	7.6
229.86928	0.7
245.04930	8.2
245.09315	98.8
246.02737	1.9
246.05070	0.9
246.09622	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	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
61.98824	1.8
67.01897	0.8
69.40661	5.4
70.05913	0.5
71.05022	1.0
73.02943	2.6
83.05053	0.7
97.02967	1.6
97.06596	0.6
98.20592	0.9
99.00896	6.9
111.00918	1.2
115.66894	0.5
125.09750	2.1
147.27940	0.5
153.12875	1.0
155.14427	1.0
163.11299	3.3
169.12318	0.9
171.13927	0.6
181.12360	12.5
182.12659	1.5
191.94781	0.6
197.11787	1.7
199.13411	42.5
200.13710	3.8
207.10278	12.4
208.10623	1.3
225.11328	23.6
226.11636	2.7
243.12370	100.0
244.12704	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	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03440	2.3
59.01380	51.0
61.98825	1.2
65.27294	0.5
69.45663	4.9
71.05015	0.6
73.02953	3.1
83.05032	0.9
85.09070	0.6
95.05046	0.7
99.00912	1.0
111.00911	0.8
125.09751	0.8
137.09703	1.0
139.11310	32.0
140.11626	1.7
148.61435	0.5
154.99794	0.5
163.11316	1.6
165.09254	1.7
166.77502	0.6
172.74576	0.5
181.12358	20.6
182.12694	2.0
183.10281	45.5
184.10602	3.7
197.11790	0.7
199.11652	1.0
199.13414	13.6
200.13704	2.1
207.10275	4.3
225.09142	1.2
225.11333	20.6
226.11656	1.9
243.12364	100.0
244.12708	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	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
52.12728	0.7
58.96051	0.7
59.01383	3.7
61.98822	1.6
62.86187	0.7
67.01881	0.9
68.94658	0.7
69.44357	7.1
71.05026	7.8
73.02955	1.4
83.05048	0.7
97.02949	4.9
97.06596	2.1
98.03300	1.0
98.19830	1.8
99.00896	20.6
101.06120	1.8
109.06602	2.1
110.03759	1.4
111.00920	2.8
115.07693	1.3
123.08256	1.0
125.09746	7.1
127.11242	0.9
135.08205	1.0
136.05367	0.9
141.78416	0.8
142.02715	1.8
153.12910	1.2
154.99879	1.7
155.14445	1.5
161.09721	0.9
163.11301	9.2
181.12363	23.1
182.12686	1.8
197.11768	1.3
199.13409	20.7
200.13779	1.9
207.08302	1.8
207.10272	40.8
208.10594	4.9
225.11319	79.7
226.11638	7.8
243.12376	100.0
243.16016	30.9
244.12733	10.4
244.16438	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	243.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.6
61.98826	5.5
63.09892	0.5
67.01912	1.6
70.16260	2.9
71.01385	0.8
72.99312	0.8
78.95929	0.7
81.04601	0.9
82.03003	0.6
83.05029	0.7
85.02991	0.6
87.00884	1.6
93.03480	0.9
95.05048	0.6
98.02486	0.8
99.19209	0.6
102.05625	4.6
109.02947	1.3
109.19331	0.6
110.02505	1.3
111.00874	0.6
121.03007	0.7
123.04532	1.6
125.02483	0.6
128.03557	3.7
137.02457	18.8
137.06108	0.9
138.02766	0.7
145.06252	1.7
146.04622	9.8
155.07077	0.8
165.01950	100.0
166.02283	6.1
167.03516	0.8
168.00659	0.8
179.03506	1.6
180.04294	52.9
181.03218	0.8
181.04636	4.3
195.06633	89.9
196.06984	8.0
225.08638	0.6
225.11253	0.9
243.02748	1.2
243.05042	2.4
243.12395	1.1
243.15913	0.9
243.19667	0.9
244.02605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1446
Annotation	Annuionone F
Peak:m/z	Relative Intensity
50.41543	0.4
55.01888	0.5
57.03449	14.7
59.01381	2.6
61.98831	1.4
65.83250	0.4
68.02069	0.4
69.03461	1.9
69.81548	3.5
71.01386	1.9
71.05027	0.9
73.02962	3.1
81.03460	4.0
83.01379	0.6
83.05043	1.7
84.04224	0.4
93.03461	0.9
95.05035	4.1
97.02965	4.4
97.06619	2.7
98.03775	0.9
98.20691	0.5
99.04535	1.7
99.08176	2.7
101.06092	0.5
107.05050	0.7
108.02198	0.8
109.02982	1.3
109.06614	6.7
110.03762	1.9
110.06917	0.5
111.04537	3.1
111.08197	0.7
113.06120	0.7
121.06596	2.6
122.03780	0.9
123.04544	2.1
123.08186	6.6
124.05316	24.9
125.06059	2.2
125.09701	0.5
133.06552	0.6
135.08212	1.5
136.05313	10.0
137.06081	1.8
137.09729	3.6
138.06877	1.4
139.07671	100.0
140.08005	5.3
141.09236	1.6
147.08014	0.5
149.09744	14.6
150.10034	0.9
150.13553	0.5
151.07661	35.8
151.11282	1.9
152.07991	1.4
153.09239	1.4
155.07079	0.9
159.08179	1.0
161.09753	5.9
162.10136	0.7
163.07658	1.7
163.11272	1.9
164.08424	1.9
165.09279	1.1
167.07243	0.6
167.10756	2.7
169.08725	3.7
170.09074	0.6
173.09782	0.6
175.07600	0.7
175.11287	3.5
177.09247	4.9
178.09671	0.5
179.10789	26.8
180.11183	2.0
181.08719	0.9
191.10776	1.0
193.12340	12.1
194.12662	0.9
195.14264	0.4
197.11835	3.5
203.10793	1.8
205.12325	4.8
211.13475	1.8
221.11821	3.4
223.13405	23.3
224.13687	2.5
236.70078	0.5
239.12906	0.7
241.14455	89.6
242.14790	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	241.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
59.01378	1.4
61.98835	20.0
65.41727	0.4
71.05023	0.7
80.02674	0.4
81.03456	0.9
83.05034	4.2
85.06593	0.4
87.28052	0.3
95.05017	1.6
96.96059	0.3
97.06607	11.2
97.30617	0.4
103.92056	5.2
109.02957	0.4
109.06590	1.3
111.08176	10.4
112.08520	0.5
118.91829	0.8
123.08157	0.5
125.02464	0.6
125.91692	0.3
139.07663	0.6
147.11835	1.1
149.09793	0.6
149.91286	2.1
153.01920	0.4
163.11328	3.8
165.12868	100.0
166.13216	8.5
195.90472	0.4
197.00902	0.5
197.15483	27.1
198.15854	2.8
209.11853	5.9
210.12160	0.5
213.91663	3.2
227.12912	0.6
240.90164	0.4
241.05023	0.8
241.07268	0.7
241.10753	0.5
241.14438	4.4
241.18007	1.7
241.21727	2.9
242.14615	0.4
242.17685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
59.01374	1.9
61.98832	29.4
64.83794	0.5
71.05020	0.8
71.06267	1.5
71.24307	0.5
81.03474	1.0
83.05031	3.2
95.05045	2.3
97.06593	9.9
97.07185	1.0
98.06911	0.6
103.92038	14.8
109.06599	0.5
111.08171	10.8
118.91824	0.8
137.09743	0.7
139.07642	0.8
147.11752	1.2
149.09747	1.2
149.91324	4.4
163.11328	3.5
165.12860	100.0
166.13205	9.5
167.92332	0.6
169.62404	0.5
181.05984	0.6
184.00206	1.2
194.34895	0.5
195.90585	1.2
197.15486	26.6
198.15822	2.5
209.11826	5.1
212.92027	0.8
213.79918	0.5
213.91689	9.8
225.02808	0.5
227.12907	0.9
240.90292	1.0
240.92607	0.5
241.07115	0.7
241.14427	4.5
241.18185	1.5
241.21696	4.1
242.15012	0.5
242.17654	1.0
242.22014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62578	0.6
59.01381	100.0
60.01712	1.0
62.63936	0.5
71.01397	3.3
71.20836	1.1
71.21169	0.9
73.02963	0.8
78.95919	1.8
85.02953	2.9
87.00887	4.7
89.02456	3.0
94.61720	0.6
99.00905	1.7
101.02459	1.8
131.03508	2.5
149.04619	0.7
161.04573	4.5
165.04091	1.3
178.96086	2.3
179.05637	15.2
179.07147	1.1
180.06009	1.4
221.06688	5.3
239.07733	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	241.0718
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
57.03449	0.7
57.13184	0.6
59.01384	4.9
61.98833	10.4
63.61965	0.6
67.01901	1.1
69.03465	1.0
71.01395	1.1
71.70182	1.1
71.70576	0.9
81.03471	0.8
83.01382	1.0
95.01407	1.5
96.96000	1.3
97.02970	1.3
103.92037	1.8
106.40810	0.6
107.01434	1.2
108.02201	1.0
109.02988	1.0
111.00916	3.1
119.05032	1.0
121.02984	0.7
122.03777	1.5
123.00904	7.5
123.04577	1.6
124.01672	2.4
125.02454	11.6
135.00899	4.5
137.02480	1.2
138.03255	4.0
139.00381	4.8
139.04022	4.8
140.01181	1.8
149.02458	2.0
149.91315	0.7
150.03255	2.1
151.00388	2.6
153.01958	22.2
153.05586	3.8
163.00388	64.8
164.00737	3.8
164.04771	1.1
165.01964	1.4
166.02686	0.8
166.99881	1.3
167.03510	0.7
167.07217	0.7
167.46518	0.7
168.00641	4.6
169.01447	9.8
178.02733	88.2
179.03143	6.7
181.01437	41.1
182.01768	3.4
183.06631	25.4
184.06996	2.1
193.05074	55.7
194.05437	4.5
195.02985	1.6
196.03777	8.3
211.02548	7.1
211.06125	100.0
212.06424	9.2
213.91676	0.9
226.02637	1.2
226.04823	15.5
227.05177	1.4
240.08408	0.8
241.00203	1.5
241.03574	11.4
241.07164	63.5
241.11008	1.6
241.14407	2.0
241.18059	0.9
241.21690	4.5
241.53619	2.8
242.07564	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	237.0404
Annotation	6,8-Dihydroxy-5,7-dimethoxycoumarin
Peak:m/z	Relative Intensity
53.27185	0.2
53.36816	0.2
55.63932	0.2
59.01379	0.6
65.54911	0.2
67.01905	0.4
69.03456	0.3
69.64598	1.4
69.65012	0.4
71.01385	0.4
73.02968	0.2
83.35411	0.2
85.02967	0.5
89.06097	0.2
91.01899	0.5
95.01375	1.0
96.96030	0.3
97.02985	0.2
99.00892	0.2
100.71198	0.2
101.02485	0.2
106.77280	0.2
107.01406	1.3
117.03487	0.3
119.05042	0.6
121.02958	0.6
123.00909	0.6
125.02455	0.5
129.01944	0.3
134.64957	0.2
135.00882	0.6
139.95316	0.2
145.02954	0.9
149.09636	0.2
151.00385	4.5
163.00378	0.7
163.03966	0.5
169.01436	0.5
177.03828	0.3
178.99863	11.0
180.00165	0.5
185.39005	0.2
193.01483	0.2
204.00688	0.4
206.99347	100.0
207.99693	7.8
209.08080	0.2
222.01692	55.0
223.02014	5.0
237.04036	11.9
237.07751	1.1
237.09483	0.5
238.01418	0.2
238.04366	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1031
Annotation	ascr#11
Peak:m/z	Relative Intensity
57.03447	8.9
59.01378	43.1
60.01704	0.6
60.99306	0.4
61.98833	0.3
67.01898	2.0
68.99827	0.4
69.03463	1.1
71.01378	3.6
71.68435	0.3
72.99326	1.5
73.02953	0.5
83.01395	0.8
83.05045	0.5
85.02515	0.3
85.02934	1.9
87.00897	0.7
93.03466	8.2
93.04061	0.4
94.03806	0.3
95.01413	0.3
97.06600	1.3
99.00900	1.1
99.04533	2.9
101.02414	0.5
108.02187	16.2
109.02427	0.5
109.03049	0.8
111.00902	1.9
111.04545	2.0
111.08150	0.7
113.09675	0.3
115.92127	0.6
117.03497	0.4
119.05043	0.5
123.08183	5.7
123.81608	0.3
124.01674	0.5
125.02450	2.6
125.09737	28.5
126.10099	1.5
127.00404	0.5
127.07654	0.5
129.01990	1.6
133.02942	0.6
134.08537	0.3
135.03027	0.5
135.08194	1.1
136.98828	0.5
138.58470	0.3
139.00381	0.9
139.40536	0.3
140.01154	2.0
141.09213	1.7
142.81310	0.3
143.07146	0.4
145.02995	0.5
152.01169	6.2
153.09219	3.5
154.09596	0.5
161.02502	0.7
168.00656	3.2
169.01456	4.0
169.08699	0.9
171.10283	50.1
172.10626	3.9
173.04568	9.7
173.08118	0.4
174.04855	0.5
187.09775	5.9
189.01945	0.5
189.05583	0.7
197.08157	0.7
211.04373	0.4
211.97906	0.3
215.09241	18.5
215.53015	0.3
216.09558	1.4
233.03844	9.3
233.10295	100.0
233.15401	26.1
233.53934	2.4
234.04132	0.6
234.10631	8.5
234.15804	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83426	1.3
53.92484	1.3
54.07555	1.5
57.03446	20.0
59.01380	100.0
59.20941	1.2
60.99292	1.5
67.01897	5.4
68.22694	1.3
68.99825	2.4
69.52731	12.6
71.01387	53.2
72.99329	1.9
73.02954	9.3
80.94005	1.6
83.01400	12.0
85.02948	13.8
87.00894	2.8
93.03470	2.1
99.00890	26.6
101.02468	2.6
108.02161	9.8
111.00890	21.8
115.00391	2.3
115.92091	6.1
116.92863	3.2
125.09747	5.2
129.01967	35.8
130.02315	2.0
139.00267	1.5
145.00891	1.9
152.01198	5.4
160.89224	2.2
161.02431	1.7
171.10258	7.7
173.00937	5.7
173.04518	4.7
179.53468	1.6
202.75641	1.4
215.09312	3.1
233.03691	2.5
233.06718	2.8
233.10327	18.9
233.15520	5.3
234.10590	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	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59728	1.4
54.75193	1.8
55.01861	1.9
57.03450	20.5
59.01382	100.0
60.99306	1.7
61.29388	1.5
67.01906	6.4
68.99815	5.3
69.78249	9.2
71.01391	55.7
72.99285	2.6
73.02952	12.7
74.52859	1.5
78.24465	1.5
82.42653	1.4
83.01398	16.4
85.02965	13.5
87.00873	1.9
93.03488	4.2
96.99302	1.6
98.20575	3.8
99.00893	29.8
101.02431	1.7
108.02189	9.2
111.00897	26.3
123.68752	1.7
129.01967	36.0
134.04878	1.6
135.96428	1.5
150.24573	1.8
152.01161	6.5
167.56177	1.6
168.00679	2.6
173.00908	6.1
173.04581	4.8
233.03767	4.8
233.06602	1.7
233.15419	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	232.01
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.3
59.01381	84.4
61.98835	67.5
65.47841	0.9
67.01898	4.0
68.99831	1.7
69.03447	2.3
71.00548	1.5
71.00969	1.8
71.01392	16.2
72.99323	3.0
73.02966	2.7
81.03483	1.2
83.01409	3.7
83.05061	1.1
85.02970	5.4
87.92571	1.1
93.03464	12.6
97.02957	2.2
99.00907	5.2
101.02460	1.8
108.02181	7.1
111.00922	5.8
111.04520	2.1
115.00394	1.0
115.92170	1.4
120.78545	1.0
125.02468	60.0
125.09704	1.1
126.02802	3.7
127.07652	1.9
129.01974	10.6
130.53445	1.0
144.08517	2.4
152.01155	4.0
161.02457	3.1
168.00662	1.7
169.01450	100.0
170.01801	5.4
171.10286	3.6
173.00989	1.5
173.04564	15.2
177.59035	1.1
178.36967	1.0
184.02913	1.0
189.01805	1.2
189.05550	1.5
215.09187	1.2
232.06406	1.1
232.97662	1.6
233.01071	1.6
233.03786	5.1
233.06662	2.5
233.10304	10.4
233.15465	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	230.0129
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
52.77535	0.6
59.01387	7.0
61.98840	1.5
66.03529	1.2
71.05024	1.2
71.69702	1.4
73.01175	5.7
80.05078	2.0
82.02995	7.1
83.01447	0.8
83.05048	1.3
85.02989	1.0
87.00895	1.7
96.04566	27.1
97.04920	1.3
97.06648	0.8
98.02473	0.9
98.99118	5.5
99.02673	0.8
108.04572	27.8
108.05316	1.3
109.04868	1.1
114.00209	82.0
115.00519	2.3
115.04047	1.2
125.02544	1.0
125.03587	1.5
125.06128	3.6
130.08788	1.5
132.03036	0.8
142.03340	100.0
143.03723	4.1
143.07216	1.0
157.00815	2.0
169.08725	0.8
183.39310	0.7
185.06049	1.3
186.02321	42.6
187.02565	2.1
187.04071	1.8
187.06053	1.1
187.09634	1.3
187.51675	0.7
188.04796	3.1
195.76630	0.9
211.02466	1.1
213.05666	1.4
230.01273	92.2
230.15346	2.1
231.01465	4.9
231.05014	2.8
231.07037	5.2
231.08717	1.2
237.75565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.40120	0.3
57.03448	1.7
59.01360	0.3
64.79939	0.2
71.05032	0.5
83.05029	0.4
84.02213	0.3
84.19934	0.3
85.02941	1.0
90.22161	0.2
97.06614	0.5
123.08212	0.2
125.09748	2.1
127.10440	0.2
127.11305	4.5
127.12183	0.4
128.11665	0.3
140.62273	0.2
141.07191	0.3
153.09276	0.2
155.14464	2.0
165.12854	0.6
167.10748	0.3
167.14407	1.6
171.10295	4.2
172.10573	0.3
172.24911	0.2
183.13860	1.5
185.06108	0.3
185.11852	1.8
185.15564	0.3
193.12453	0.3
201.14960	0.3
209.11853	3.4
210.12225	0.3
211.13441	9.3
212.13734	0.6
227.12946	0.3
229.14453	100.0
230.14793	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	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03456	1.4
59.01380	3.2
70.39460	0.3
71.01366	0.3
71.05019	0.6
83.05041	0.5
84.02173	0.3
85.02971	0.6
96.78330	0.2
97.06583	0.5
98.20686	0.5
109.48850	0.3
111.98897	0.2
125.06105	0.8
125.08903	0.4
125.09746	4.3
126.10084	0.3
127.11308	4.1
128.11568	0.3
130.74757	0.3
155.14435	2.3
165.12849	0.9
167.14449	2.0
171.10173	0.3
183.13924	0.6
185.11929	0.6
208.58871	0.3
209.11839	1.4
211.13449	3.3
211.65730	0.4
212.13878	0.4
229.14450	100.0
230.14789	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	227.1653
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
51.32372	0.4
57.03448	0.5
58.87767	0.4
58.96436	0.4
59.01367	1.9
65.00330	0.7
67.01897	1.2
68.13242	0.4
71.05009	0.7
71.72327	0.8
80.02677	0.7
81.03474	0.9
81.07107	2.4
83.05036	3.4
84.02173	1.2
85.06594	4.7
89.08260	0.4
95.01385	1.4
99.08169	2.1
99.92616	1.4
111.00896	1.7
121.02944	1.1
125.06087	0.6
125.09734	1.9
127.07635	0.9
139.00359	0.6
139.11266	0.9
153.05582	1.2
154.99844	0.8
163.11305	1.3
165.12846	7.0
180.83099	2.0
181.12349	0.6
181.15984	4.3
183.13916	26.6
184.14250	1.8
197.15465	1.1
199.13391	1.6
209.11836	36.5
209.15332	1.6
210.12196	4.5
225.15048	0.6
226.98177	0.5
227.03572	0.7
227.13129	14.7
227.16525	100.0
227.20180	7.0
228.13197	1.4
228.16840	11.5
228.20407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.39999	0.3
57.03448	1.4
59.01375	0.9
62.62690	0.3
69.55002	0.8
69.55413	2.5
69.84521	0.3
71.05025	0.6
73.64806	0.3
74.47068	0.3
78.63268	0.3
80.02673	0.5
81.03428	0.4
83.05044	1.6
84.02182	0.3
97.06599	1.4
111.08163	4.3
111.18883	0.4
141.12869	0.4
163.11325	1.2
165.12871	24.6
166.13202	1.5
167.10779	0.5
181.12390	0.5
183.13933	26.9
184.14284	2.6
191.10847	0.4
197.19540	0.3
199.13403	0.4
209.11855	20.0
209.25912	0.3
210.12228	1.9
227.12906	100.0
227.20096	2.1
228.13232	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	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
53.11726	0.5
56.04258	0.5
74.87956	0.6
80.02676	1.5
81.03462	1.2
83.05036	5.7
84.02160	3.8
100.73487	0.5
109.06551	0.7
114.37980	0.5
120.55528	0.5
125.06075	0.7
135.08170	1.1
143.51152	0.5
148.14684	0.5
158.27872	0.5
163.11285	5.7
165.12860	4.1
181.12299	0.7
191.10771	1.5
199.13301	0.6
209.11839	100.0
210.12175	10.2
227.12885	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	225.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.8
63.07042	0.5
66.34500	0.5
69.45364	5.8
93.03476	0.9
109.02979	1.7
137.02467	20.3
138.03134	0.7
151.04051	1.2
153.05582	0.7
165.01952	90.4
166.02277	6.4
166.06343	0.9
179.03561	1.3
180.04301	100.0
181.04659	7.1
195.03011	34.4
195.06639	93.3
196.03311	2.1
196.06982	7.3
210.05350	49.4
211.05692	3.9
225.07687	53.6
226.08031	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	225.077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78702	0.6
59.01362	0.8
69.55741	4.5
69.56144	1.8
93.03458	1.5
95.01431	0.8
109.02987	2.5
137.02470	17.6
138.02956	0.9
141.06535	0.7
153.05693	1.1
165.01947	88.2
166.02280	4.2
166.06252	0.9
179.03549	1.1
180.04295	100.0
181.04645	5.5
195.02995	32.4
195.06635	90.4
196.03293	2.4
196.06982	5.0
210.05341	46.3
211.05659	2.7
225.07680	50.7
226.07965	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	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.48374	0.5
52.63161	0.5
69.67891	4.7
84.81742	0.7
85.60921	0.6
165.12863	23.0
166.13162	2.5
183.13918	100.0
184.14282	8.9
209.11855	1.3
227.12894	38.6
228.13177	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	223.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01724	1.0
70.34074	1.4
71.01393	1.3
73.02970	0.4
75.00890	0.4
81.03480	0.4
85.02976	1.2
101.02517	0.4
107.59578	0.3
109.02988	0.5
125.02470	0.6
129.01939	0.6
135.50314	0.3
143.03557	1.1
145.05078	1.0
163.06145	13.5
223.04703	0.7
223.08287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.2
59.01379	100.0
69.03447	2.4
70.33479	3.6
70.33872	2.8
71.01377	4.5
72.99314	23.7
73.02940	2.0
75.00870	6.6
78.17858	1.4
78.95905	11.9
80.56255	1.2
81.03470	11.4
85.02961	22.0
87.00867	7.0
92.95992	22.0
97.02950	2.0
99.00883	16.3
101.02525	2.4
102.98123	1.6
111.00900	2.2
112.02726	1.3
113.02460	4.2
114.98865	1.7
116.95990	1.3
117.01929	2.7
118.41416	1.3
118.97556	3.7
120.95493	2.0
125.02467	35.4
126.98903	1.8
129.01955	44.8
130.02319	3.1
131.03471	2.2
132.95506	24.0
133.95633	2.3
143.03511	5.6
144.75914	1.7
144.95499	46.0
145.95647	4.2
147.03003	16.0
152.91682	1.6
156.95488	2.1
160.95004	1.6
161.04588	3.3
163.06166	12.6
168.97391	5.4
168.99879	1.7
174.96559	27.2
175.96661	3.0
189.97919	7.0
204.97581	12.1
205.03546	24.8
210.98438	5.0
222.93289	3.4
222.98662	25.3
223.04594	70.7
223.98904	3.2
224.04948	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	218.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00325	0.3
59.01384	4.6
61.98823	1.2
64.01937	0.3
65.70274	0.3
65.99859	1.3
69.03451	0.5
71.01387	0.8
71.05025	0.9
71.67818	0.5
72.99323	0.5
73.02964	0.3
75.00900	0.9
76.01917	1.7
86.24460	0.3
88.04046	2.9
90.03490	0.5
92.05064	0.6
99.56396	0.3
102.03519	0.5
107.94254	0.3
108.04578	1.3
113.02557	0.3
118.03014	4.8
119.01363	0.3
119.90131	0.3
125.02486	0.5
130.03008	18.8
131.03371	1.1
133.01752	1.6
136.04086	0.8
144.04541	0.6
146.02498	12.4
146.08209	1.4
147.02863	0.5
147.04539	0.6
163.03857	0.3
172.88356	0.4
174.01982	100.0
175.02362	8.1
175.03970	0.4
175.99649	0.3
190.01430	0.9
204.04286	0.5
211.98122	0.3
218.00905	4.4
218.04613	1.3
218.10457	1.1
218.99165	0.3
219.03125	0.7
219.06712	1.5
219.08476	0.3
219.10353	0.4
219.12384	0.4
219.17532	14.2
228.47261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1035
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01380	4.7
61.98818	0.3
68.80680	0.3
69.37575	2.0
69.38005	1.8
71.01389	10.9
71.05026	14.7
72.00903	0.5
73.02991	0.3
82.46360	0.3
88.04052	100.0
89.03829	0.5
89.04402	1.4
99.04539	4.8
102.55550	0.4
116.03629	0.6
116.07201	2.2
118.03004	0.5
124.01696	0.4
125.06767	0.3
126.09354	0.4
129.05586	1.1
130.03000	1.5
137.02489	0.5
146.02515	1.1
146.08257	43.8
147.08588	2.7
149.06125	1.0
159.04520	0.7
163.03827	0.4
172.56976	0.4
174.01988	6.2
175.02472	0.6
175.04048	0.9
177.05527	1.3
191.03561	0.4
200.04382	0.3
218.00728	0.4
218.10341	31.3
219.03017	1.1
219.06654	7.9
219.08574	0.6
219.10509	2.6
219.17545	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	215.1653
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
53.43293	0.3
55.79178	0.3
59.01373	0.6
61.98839	1.8
65.00304	0.3
69.42173	3.0
122.89440	9.0
123.89469	0.4
139.11272	0.6
144.00928	1.5
168.88744	0.8
169.16002	4.8
171.02176	0.3
186.89772	6.3
187.54341	0.4
194.42360	0.3
197.15483	2.0
213.14917	0.7
214.98891	0.5
215.01012	12.4
215.16524	100.0
216.01309	1.2
216.16849	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	217.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09522	0.5
59.01381	100.0
60.01715	1.4
66.98408	0.4
68.58797	0.5
71.01384	1.0
71.58165	0.5
71.71532	0.9
72.99313	1.6
83.05042	0.6
88.04054	2.5
90.97158	1.4
109.84130	0.4
111.04509	0.8
132.98247	3.3
137.22369	0.5
146.08266	1.2
158.52075	0.5
173.08104	0.6
174.99263	28.7
175.99658	0.9
199.02570	0.5
207.13895	0.6
217.00302	32.9
217.11974	0.6
218.00555	1.6
218.10306	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	213.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48230	0.6
55.01883	1.1
62.44617	0.6
67.01902	1.4
69.03452	3.5
69.40651	1.1
69.41060	6.7
71.05013	0.7
80.02691	1.4
83.05032	43.5
83.90887	0.6
84.05357	1.5
85.06611	3.1
89.00325	0.9
95.05042	6.8
97.02945	1.3
97.06595	10.5
107.05047	9.9
111.08167	5.1
116.09487	0.7
121.10266	0.6
123.08189	9.4
131.81490	0.7
135.08167	1.2
137.09769	1.4
138.03265	0.6
139.11308	100.0
140.11617	5.5
149.09755	3.6
151.11305	81.2
152.11665	4.6
159.32515	0.8
165.09158	1.6
167.10818	4.1
176.98328	1.9
177.09193	1.5
183.10281	34.0
184.10620	2.3
194.99368	3.9
195.10262	15.5
196.10643	1.2
213.00388	1.3
213.11322	5.1
213.15033	2.1
226.60451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1497
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
69.83887	0.3
70.79231	0.3
90.65495	0.4
91.04684	0.4
92.13109	0.3
93.45316	0.3
97.03593	0.4
98.19825	0.8
100.21294	0.4
114.73135	0.3
136.09067	0.3
152.17537	0.4
183.13911	20.0
184.14264	1.4
195.13918	18.2
196.14238	1.5
213.14969	100.0
214.15320	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	213.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.3
61.98838	1.3
68.01429	1.0
69.59261	2.2
69.59666	1.2
71.01397	0.8
71.04990	0.4
72.99310	0.4
78.95932	0.6
82.02982	0.4
83.05090	0.4
87.00884	0.4
93.03458	3.5
95.02533	0.8
96.96036	0.4
96.96973	1.1
98.02470	0.6
108.02184	0.9
108.15055	0.5
109.02984	0.6
111.00887	0.5
111.02022	13.0
114.05640	0.9
117.00399	0.5
121.02964	5.0
122.03759	13.9
122.06154	0.4
125.02467	0.6
125.06106	0.5
131.02019	0.6
133.03009	0.7
136.01688	0.9
149.02484	5.5
150.03244	93.3
151.03578	5.3
151.05003	3.2
153.01910	0.6
156.99908	1.9
165.05585	100.0
166.05930	6.5
168.99809	0.7
180.04305	1.9
213.05357	6.5
213.07401	0.7
213.14943	1.7
213.18375	0.6
214.05394	0.6
217.02673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
69.03446	0.6
71.48706	0.3
71.49031	0.2
72.99554	0.2
76.31035	0.2
83.05024	0.6
85.03992	0.2
111.08170	0.3
142.72209	0.2
155.10812	0.5
165.12839	0.5
167.10812	0.3
167.14471	1.4
183.13914	13.0
184.14235	1.2
193.12337	3.6
200.34236	0.3
211.13402	100.0
212.13744	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	213.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
61.98827	1.0
63.23964	0.4
68.01425	1.0
70.20789	1.1
70.21213	1.7
71.01402	0.8
78.95936	0.5
80.05038	0.6
81.03438	0.5
82.81979	0.5
87.00884	0.6
93.03474	3.7
95.02542	1.6
95.05059	0.4
96.16251	0.5
96.96048	0.7
96.96938	0.5
97.02982	0.6
99.09735	0.4
105.03522	0.6
109.02938	0.5
110.16977	0.5
111.02026	12.9
111.02747	0.9
111.16807	0.5
121.02991	5.9
122.03770	14.2
123.00930	0.6
125.02512	0.7
133.02991	0.7
134.03688	0.4
135.04535	0.6
136.01723	1.6
137.02376	0.5
149.02493	5.0
150.03259	92.9
151.03596	5.3
151.05040	3.5
153.01979	1.3
156.99985	0.8
165.05598	100.0
166.05946	7.8
169.08698	0.6
180.04329	1.8
183.13905	0.5
195.04234	0.8
195.13908	0.6
213.03577	0.4
213.05168	7.1
213.07639	1.8
213.11172	0.6
213.14937	3.3
213.18597	1.1
214.05423	0.7
219.85249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.16238	0.7
51.40589	0.5
57.03444	4.2
59.01379	100.0
60.01704	0.9
61.98833	2.1
80.02699	1.3
81.03458	1.2
82.33369	0.5
83.05084	0.5
85.02971	0.6
92.99808	0.6
93.03457	0.7
96.96043	0.6
97.06593	4.2
109.06589	4.1
121.02966	17.1
122.03288	1.0
124.04077	1.8
137.02419	0.8
139.52699	0.5
149.09709	0.6
161.02464	0.8
164.98302	0.9
165.01906	1.0
165.12845	5.9
179.03584	1.1
194.05913	0.7
201.29742	0.5
206.03217	0.5
209.00999	0.9
209.04683	2.6
209.08357	1.3
209.11826	23.6
210.12158	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	211.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13055	0.6
53.45869	0.6
59.01387	1.3
61.98836	3.0
63.31151	0.6
70.54701	2.4
71.01382	0.9
89.02461	0.7
91.15003	0.7
93.03466	0.8
95.01408	2.6
95.05024	0.9
104.05087	0.8
105.05437	0.8
107.05032	2.0
108.02189	6.7
109.02978	14.2
113.99621	1.4
120.02180	8.6
121.02997	1.1
123.00874	2.6
123.04556	6.7
124.04016	0.9
125.02512	0.8
128.51419	0.6
134.03726	2.6
135.04512	1.7
136.01642	3.5
137.02448	1.7
137.06062	0.8
138.03265	4.3
139.07671	0.7
148.01682	83.5
149.01964	4.5
149.04335	1.5
149.06094	1.4
150.03197	0.9
151.04074	1.6
151.06125	1.3
152.01085	1.0
153.05588	80.5
154.05954	4.2
154.23039	0.6
163.04021	83.5
164.04353	7.1
165.01936	1.8
165.05557	0.7
166.02733	7.7
167.03383	1.0
167.05438	2.6
167.07037	1.5
178.02705	0.8
179.03549	2.2
181.05077	100.0
182.05396	6.9
193.05067	0.9
196.03778	8.9
197.04120	0.8
211.06119	40.7
211.13396	4.7
212.06461	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	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
59.01373	2.3
61.98830	11.4
65.00341	0.7
71.19566	0.3
72.92223	0.3
76.78548	0.4
79.22070	0.4
83.05033	0.4
85.02976	0.5
92.99818	2.3
93.03440	0.5
94.01183	0.3
94.02998	1.4
95.04993	0.4
98.19847	1.1
111.00921	0.3
120.02210	0.4
121.02968	33.8
122.02531	0.5
122.03283	1.9
124.04069	4.7
135.04590	0.3
136.01691	0.6
136.98839	0.9
137.02431	0.7
137.06053	0.4
142.87144	0.3
151.04015	0.5
151.07683	0.4
161.02454	0.8
163.11255	0.4
164.94064	0.4
164.98329	1.7
165.05492	0.4
165.12813	1.0
167.10696	0.3
178.99951	0.5
179.03532	1.1
180.06349	0.3
181.05138	0.4
181.12381	0.6
191.10820	0.6
194.02209	1.1
194.05927	1.7
208.97293	0.5
209.00978	0.8
209.04616	6.1
209.11835	100.0
209.94919	3.7
210.07874	0.4
210.12161	10.3
229.93156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
50.12434	0.4
55.01874	2.3
55.92677	0.5
57.03456	2.4
59.01381	4.1
61.98831	12.8
65.00326	0.7
66.05700	0.4
68.95427	0.4
68.99813	0.4
69.03458	0.9
70.00192	1.1
70.00586	1.0
71.01379	1.0
71.05035	0.8
73.02984	0.5
80.02690	0.9
80.54641	0.4
81.03461	3.6
83.01395	24.3
83.05035	3.9
84.01719	1.0
84.02179	0.8
85.02978	0.7
91.01891	0.5
92.99827	3.2
93.03443	1.0
94.02996	2.3
95.01405	1.3
95.05022	1.3
97.02918	0.4
97.06609	4.3
99.49427	0.4
106.04300	0.6
107.53811	0.5
111.08167	1.0
121.02971	44.9
122.02533	0.7
122.03278	2.9
123.08177	2.0
124.04051	5.8
125.09737	21.9
126.10053	0.8
135.08156	1.8
136.01688	0.8
136.98836	2.0
137.02458	0.9
137.06065	0.5
138.53201	0.5
147.11836	1.1
151.04027	0.5
157.46587	0.5
163.11319	9.5
164.11598	0.7
164.94138	2.0
164.98291	2.5
165.01982	0.9
165.05585	0.8
165.09221	0.6
165.12842	2.6
167.10809	1.0
179.03485	1.6
181.12349	2.2
191.10805	8.1
192.11209	0.5
194.02217	0.9
194.05936	0.9
196.47305	0.5
208.93201	1.1
208.97270	0.9
209.01045	0.7
209.04613	7.3
209.11844	100.0
209.94946	3.5
210.04933	0.6
210.07864	0.8
210.12164	9.0
223.73628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
57.03448	0.5
59.01375	3.4
59.83869	0.4
61.98834	11.0
65.00311	1.0
69.55704	0.4
71.01380	0.8
80.02673	2.5
81.03455	2.6
83.01385	0.8
83.05030	8.7
85.02946	0.9
92.99830	2.3
93.03481	1.1
94.03012	2.6
95.01378	1.0
95.05038	1.3
96.07278	0.5
97.06584	0.8
109.03002	1.0
109.06611	0.7
111.00874	0.7
120.02188	0.6
121.02970	49.9
122.03265	2.7
124.04063	7.1
125.06108	0.5
135.04582	0.5
135.08142	1.4
136.01659	0.5
136.98848	1.7
137.02423	0.9
137.06055	0.6
147.11787	0.6
151.07607	0.6
161.02422	1.0
163.05994	0.6
163.11322	5.3
164.11636	0.6
164.98335	2.9
165.05585	0.8
165.09224	0.8
165.12862	3.5
176.04739	0.5
178.99928	0.7
179.03552	2.4
181.12367	1.1
191.07137	0.5
191.10872	2.6
194.02211	1.8
194.05893	2.6
208.97238	1.0
209.00960	0.6
209.04550	7.9
209.11835	100.0
209.94934	4.6
210.04723	0.5
210.07756	1.0
210.12192	10.6
229.60118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Pulchellon
Peak:m/z	Relative Intensity
52.50019	0.8
57.03437	4.2
59.01381	5.6
61.98832	28.9
65.00315	2.6
69.03440	2.0
70.58875	3.8
71.01384	17.8
71.08009	0.9
72.99290	1.0
73.02952	1.8
79.52975	0.8
80.02686	1.8
81.03457	2.6
83.01390	3.1
83.05022	4.0
84.02165	1.5
85.02960	1.8
89.02440	0.8
92.99840	8.3
93.03476	3.6
94.02991	3.6
95.01385	1.2
95.05041	3.6
97.02949	1.0
97.06590	3.8
103.30456	0.9
107.01420	0.9
107.05090	1.3
108.02209	1.2
110.92458	0.9
111.08174	1.8
111.39600	0.9
115.01980	0.9
120.02248	1.0
121.02970	95.4
122.03277	5.5
123.00896	1.1
123.08168	1.7
124.04056	11.4
125.02420	0.9
125.09728	6.2
134.03717	1.6
135.08205	1.6
136.01735	1.2
136.98790	3.8
137.02483	2.6
137.09811	1.0
145.10254	1.1
147.11794	2.0
151.11311	20.4
152.11673	1.0
153.09181	1.1
153.12849	2.6
155.35320	1.0
161.02463	1.5
161.09779	1.2
163.11292	9.3
164.98305	5.2
165.01953	1.8
165.05614	1.2
165.09218	1.3
165.12860	15.5
173.09694	2.0
178.99858	1.4
179.03566	2.2
179.10742	5.6
181.12350	42.0
182.12683	3.9
190.99820	0.9
191.10789	15.4
192.11145	1.6
194.02209	2.4
194.05919	1.8
209.01009	1.5
209.04581	16.2
209.08298	3.7
209.11830	100.0
209.94916	9.6
210.12195	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	209.0667
Annotation	alpha-D-Mannoheptulopyranose
Peak:m/z	Relative Intensity
51.47755	0.7
55.01875	3.1
57.03175	1.5
57.03449	25.7
58.00600	1.6
58.24070	0.7
59.01378	21.3
67.25307	0.7
68.99816	1.7
69.03445	1.1
71.01387	12.0
71.08591	2.2
72.99302	1.9
73.02944	3.3
74.99114	1.2
75.00867	1.2
77.48106	0.8
83.01408	6.8
84.02158	6.9
85.02959	76.0
86.00069	0.8
86.03299	1.1
87.00884	29.6
87.01420	1.5
87.04508	1.7
89.02456	6.0
93.03471	1.1
97.02960	3.3
99.00890	5.0
101.02448	3.3
106.81499	0.9
111.00904	7.9
112.98849	1.4
113.02459	0.8
115.03979	0.9
117.95393	0.8
120.99632	1.3
121.02964	5.3
126.52802	0.9
129.01958	47.9
130.02322	1.9
131.03494	0.9
138.85417	0.8
141.01949	3.8
142.99908	6.0
147.03030	0.9
148.04057	1.0
158.35620	0.7
159.03015	11.4
165.01967	1.5
166.05061	2.0
173.00920	2.4
177.87451	0.8
179.86984	0.9
191.01985	2.4
191.05602	1.5
209.06667	100.0
210.06972	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	207.03
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74408	0.1
54.55834	0.1
57.03464	0.2
59.01377	4.2
60.01728	0.1
65.95527	0.1
70.00655	0.2
70.73643	0.1
71.01407	0.3
71.75037	0.3
75.00914	0.3
77.67557	0.1
85.02987	0.2
90.71928	0.1
95.01399	0.1
97.27808	0.1
99.00892	0.2
108.02180	4.0
111.00960	0.2
119.05049	0.6
123.00896	0.3
129.01958	0.8
135.00894	0.1
135.04576	0.2
136.01677	6.2
137.02119	0.2
139.00397	0.3
143.05112	0.2
147.03056	0.5
147.04543	1.0
149.02483	0.3
163.00398	1.1
163.04030	0.2
163.07700	0.2
164.01175	3.3
165.01579	0.2
165.05545	0.8
177.01970	1.3
179.03549	0.2
190.99896	1.9
192.00656	100.0
193.00977	5.8
207.02992	8.9
207.06596	0.7
208.03329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.03
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43452	0.2
58.02987	0.4
59.01382	2.7
60.06141	0.3
63.70443	0.2
69.03465	0.6
69.51527	0.7
69.51932	1.5
71.01395	0.4
77.54171	0.3
79.01941	0.3
82.59660	0.3
84.39795	0.2
95.01422	0.7
97.02980	0.5
99.00896	0.3
101.78907	0.3
108.02225	0.8
119.05042	0.3
119.62064	0.2
120.02206	1.6
123.00897	3.1
125.99060	0.3
129.01938	0.6
136.01689	0.7
147.03099	0.3
147.04561	0.8
149.02490	0.3
151.71747	0.3
164.01181	4.0
164.07224	0.7
165.01443	0.3
165.05598	0.4
165.07581	1.2
175.00407	1.1
177.01958	1.5
192.00668	100.0
193.01001	7.7
207.03000	35.0
207.06294	0.6
207.08536	0.8
208.03384	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	206.9745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30688	0.1
59.01379	2.3
61.98835	100.0
62.98534	0.2
62.99258	0.1
63.99273	0.2
69.56161	0.5
69.56592	0.4
71.01395	0.3
71.61960	0.1
72.99318	0.1
75.00866	0.2
84.99738	0.1
85.79013	0.1
88.21433	0.1
98.19892	0.2
99.00893	0.2
129.01949	0.4
139.85742	0.1
147.02982	0.4
147.04568	0.6
149.02443	0.2
157.54570	0.1
162.98508	1.0
164.96408	0.5
165.05598	0.3
177.01950	1.1
192.04283	1.2
206.97464	9.8
207.06598	0.4
207.10268	0.1
207.97595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	50.8
59.01385	11.5
68.77052	0.6
70.02982	12.1
70.49580	2.3
71.01369	0.6
72.00922	5.2
74.32635	0.6
89.12552	0.6
91.05543	9.1
118.28642	0.7
119.04981	0.9
129.01935	2.0
135.00851	1.0
135.04549	1.5
147.03297	1.2
147.04543	38.3
148.04898	1.6
149.02365	0.8
162.09251	1.2
163.00366	1.3
164.07185	100.0
165.05589	2.3
165.07555	5.3
177.01973	3.6
181.93561	0.7
190.09595	0.7
190.99843	4.1
192.00676	4.5
192.04314	3.8
206.08238	48.3
206.12532	4.1
207.03024	2.4
207.06653	1.9
207.08566	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	206.0823
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02977	37.0
59.01380	4.4
59.03312	0.8
69.91553	0.5
70.02985	13.8
70.18634	2.1
71.01417	0.6
72.00912	5.7
74.89831	0.5
75.00834	0.6
91.05545	10.6
99.00883	0.5
101.02415	0.5
117.87282	0.6
118.06770	0.4
119.05087	0.7
120.02180	0.8
123.00958	1.5
123.69213	0.5
129.01950	0.6
135.04572	1.4
147.04538	36.8
148.04913	2.5
162.09314	1.6
163.00351	0.5
163.03955	0.7
164.01195	1.9
164.07184	100.0
165.05641	0.4
165.06212	0.6
165.07539	6.1
175.00266	0.5
177.01942	1.1
178.67267	0.5
190.99860	0.7
192.00656	40.6
192.04211	2.3
206.08229	40.8
207.03011	14.9
207.04472	0.4
207.04979	0.7
207.08424	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65439	2.0
55.01869	5.7
57.03450	8.8
57.73754	2.3
58.00587	2.8
59.01079	5.2
59.01380	100.0
60.99302	2.8
61.98834	12.0
62.66718	2.1
68.99831	8.9
71.01388	90.1
71.10371	3.7
71.10710	3.1
72.99313	53.1
73.02959	12.7
73.99684	2.2
75.00880	38.9
82.09126	2.2
83.01393	16.7
84.99315	2.8
85.02971	5.8
87.00881	40.4
89.02459	12.7
96.99322	7.3
99.00895	56.2
100.98866	2.6
101.02474	7.7
103.00389	7.6
105.96783	2.1
111.00888	26.2
112.98824	76.8
113.99166	4.4
115.00392	84.0
116.00742	3.3
117.01940	15.3
124.98810	11.8
125.02531	6.3
127.00392	11.7
129.01959	20.0
130.14299	2.4
133.01450	3.4
142.99883	23.2
143.77370	2.5
145.01436	23.4
154.99869	12.4
157.01472	4.7
173.00932	11.3
175.02498	9.3
205.03510	10.1
205.07040	3.0
205.15927	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	204.0303
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
53.14425	0.2
59.01381	0.7
69.92089	1.3
71.01394	0.5
72.99297	0.2
91.01909	0.5
98.19862	0.3
99.00910	0.3
104.68848	0.2
114.43433	0.2
115.00361	1.0
116.05080	15.7
117.05450	0.8
123.73974	0.2
131.03819	0.3
132.04579	1.6
142.02896	0.2
142.99928	0.2
159.03268	2.0
160.04060	100.0
161.04410	7.0
197.65862	0.2
204.03023	16.7
205.03419	1.6
205.15942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0356
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
57.03450	2.9
59.01382	17.5
61.98838	5.7
67.01887	5.1
68.99819	1.9
69.68671	4.1
71.01387	12.7
72.99321	7.9
73.02948	5.7
75.00875	6.3
83.01407	2.9
85.02966	2.1
87.00886	48.6
88.01234	1.4
96.99319	1.4
97.06592	1.7
98.20616	1.2
99.00891	8.3
99.04505	3.1
101.02453	2.3
103.00376	1.0
111.00900	100.0
112.01264	3.7
112.98827	0.7
115.00385	14.6
115.04041	2.1
117.01962	2.1
117.05423	0.8
124.98801	1.7
125.02509	3.0
127.00395	1.8
129.01971	3.2
130.99883	1.1
142.99907	3.6
143.03514	13.2
143.07147	3.7
145.01430	4.2
145.05101	2.4
154.99870	2.5
161.04472	0.8
162.89430	0.6
172.99611	0.6
173.00929	2.8
175.02509	1.4
187.06105	1.1
190.02773	0.9
205.01682	0.8
205.03426	4.8
205.05112	2.0
205.07196	2.8
205.08873	0.9
205.16008	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40130	0.1
59.01378	5.1
60.01713	1.9
61.01807	0.6
61.98831	100.0
62.98538	0.2
71.01395	0.3
71.69027	0.2
71.69390	0.1
72.99332	0.1
75.00858	0.1
87.00903	0.2
99.00889	0.2
115.00405	0.3
117.01961	0.1
121.31838	0.1
133.01385	0.1
138.65312	0.1
142.06700	0.1
189.85516	0.1
192.49243	0.1
203.99950	0.8
204.02715	0.9
204.06741	0.2
205.00105	0.2
205.03085	0.1
205.05051	0.1
205.16084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04836	0.1
59.01378	5.6
59.93066	0.1
60.01718	1.8
61.01817	0.6
61.98832	100.0
70.00859	0.1
70.80317	0.3
71.01382	0.8
72.99317	0.5
75.00853	0.3
82.87428	0.1
87.00908	0.4
99.00903	0.4
101.02510	0.1
115.00355	0.8
129.02052	0.1
143.86510	0.2
145.01491	0.1
158.06129	0.2
158.97275	0.1
159.03268	0.1
162.89400	0.3
203.99983	0.8
204.02701	0.9
204.06679	0.3
205.03105	0.1
205.05089	0.3
205.15962	0.7
214.41237	0.1
214.46211	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	203.0828
Annotation	Tryptophan
Peak:m/z	Relative Intensity
59.01387	3.9
60.84769	0.5
69.75046	1.0
69.75456	3.7
72.00918	22.9
74.02480	34.4
75.02781	0.6
80.95214	0.5
103.92039	1.1
113.02606	0.7
116.05084	100.0
117.05435	4.7
128.05000	0.7
129.05894	0.7
130.06648	2.8
130.40974	0.6
132.04497	0.6
142.06654	27.4
143.06995	1.8
144.83437	0.6
147.06152	0.6
157.07693	0.8
159.09311	19.6
160.04079	18.5
160.09647	1.3
164.77802	0.6
186.05606	3.9
192.07948	0.6
203.08292	69.9
204.03087	3.3
204.06865	1.0
204.08604	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	203.0199
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.26585	1.5
55.67924	1.7
57.03450	4.6
59.01389	21.3
61.98822	7.4
69.03465	58.9
70.93060	6.2
71.01392	48.1
72.99308	10.5
74.11954	1.8
75.00875	7.9
79.01902	5.9
80.64477	1.7
83.01388	4.3
85.02966	8.8
85.06647	1.6
87.00881	14.8
87.02000	2.3
95.01399	6.4
97.02963	92.6
97.06579	4.9
98.03299	1.9
99.00890	4.1
100.04072	2.5
101.02433	2.6
103.92056	1.8
111.00900	3.2
111.04553	3.8
113.02448	5.3
113.06107	1.9
114.38216	1.7
115.00391	8.4
115.04003	3.0
123.00888	2.4
127.00390	5.1
129.01933	3.9
140.07208	2.9
141.01981	21.2
141.05556	6.0
142.96658	7.0
157.95403	2.0
159.03091	3.5
160.04018	9.5
160.97699	6.4
184.97647	5.1
185.04550	5.0
186.07655	2.5
202.98778	11.0
203.01985	100.0
203.05602	9.6
203.07423	3.6
203.09158	1.9
204.02373	5.4
204.06894	2.3
204.08667	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	201.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.76884	0.3
60.01709	1.4
61.98832	0.3
71.01379	0.3
71.71400	0.3
73.02979	0.2
76.06384	0.3
87.83382	0.3
115.02525	0.3
117.00471	0.9
130.08763	0.5
157.03584	3.8
158.03720	0.5
159.01527	3.9
160.01746	0.4
175.02888	0.6
201.01024	0.7
201.02563	16.3
201.07599	0.6
202.02827	1.5
221.01308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01720	1.1
65.36650	0.3
70.46594	0.4
70.46941	0.9
98.19884	0.3
108.04601	0.2
112.01065	0.3
113.04585	0.5
157.03581	4.2
158.03687	0.5
159.01515	3.3
170.35744	0.3
189.50282	0.3
201.02554	16.6
202.02721	2.1
202.66907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03432	0.4
59.01379	0.4
69.55432	2.4
73.02952	0.9
83.01408	0.4
137.09735	6.1
155.10802	100.0
156.11121	5.8
180.11580	0.4
181.08775	0.6
199.09778	10.3
199.13420	1.4
199.17143	0.6
200.10095	0.7
219.54004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03444	2.1
59.01364	1.6
59.55658	1.0
61.98833	1.3
65.00330	1.8
67.01890	3.7
67.24275	1.0
68.99821	1.9
69.03461	1.0
70.54412	3.7
71.05021	9.1
73.02942	4.0
76.50558	1.1
83.01402	2.0
83.05029	1.3
85.02954	1.9
91.76585	1.0
92.99850	3.1
93.03433	1.3
98.20566	1.0
99.00900	4.2
99.08159	1.4
108.54741	1.0
108.60106	0.9
111.00899	5.6
113.02486	2.2
127.00362	3.1
127.04028	1.3
136.98840	3.0
137.09712	2.8
139.11314	11.4
141.43803	1.0
153.12848	5.7
154.13135	1.2
154.99910	1.5
155.10793	10.2
156.11140	1.2
156.89456	2.0
198.98790	1.8
199.04129	1.0
199.09720	4.2
199.13406	100.0
199.17014	9.1
200.13773	10.5
210.57082	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.02340	0.4
52.57815	0.4
55.82474	0.5
57.03422	0.5
58.40030	0.4
59.01372	0.9
61.98835	0.8
69.03461	1.2
83.01382	0.6
83.05045	1.2
87.47408	0.4
95.01410	0.5
101.18640	0.4
121.02957	0.5
122.06005	0.5
123.00883	2.1
123.04430	0.5
125.02472	0.5
126.90542	1.0
137.02373	0.6
138.03226	0.5
141.09230	0.4
151.11366	0.9
153.05583	0.8
153.09225	1.5
153.12891	4.1
160.84253	4.3
162.83949	11.8
166.99892	1.5
169.12357	15.9
170.12740	0.8
178.99889	0.5
179.10789	1.3
182.02220	4.0
182.05881	0.6
195.60532	0.6
197.04590	1.6
197.11842	100.0
197.80827	6.5
198.07796	0.4
198.12181	7.1
198.13864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1547
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
57.03455	2.9
59.01382	2.8
61.98830	5.1
65.00325	1.4
69.03477	1.5
71.05022	1.5
73.02951	0.8
80.02688	1.4
80.96530	0.7
81.03476	4.0
83.01403	0.8
83.05033	10.7
85.02959	0.9
93.03482	1.6
95.01427	2.1
95.05057	3.8
97.02968	1.2
97.06599	22.9
98.06950	1.4
109.02978	1.8
109.06612	3.2
111.04540	0.7
111.08170	19.6
112.08548	0.9
121.02953	2.4
123.00894	9.7
124.05773	0.8
125.02470	1.4
125.06078	1.3
126.01991	0.9
126.90536	5.9
130.99355	0.7
134.86497	0.7
135.00946	0.8
137.02449	1.5
137.09749	1.2
138.03247	1.4
147.11797	2.9
149.09744	2.0
153.01941	1.5
153.05569	2.6
153.09229	1.0
153.12846	6.7
160.84235	20.8
161.84325	1.8
162.83932	52.4
163.11302	7.0
165.12859	100.0
166.13202	8.8
166.99878	6.9
178.99886	1.5
182.02234	13.5
182.05853	1.1
197.00781	1.1
197.04619	4.4
197.08165	2.8
197.10030	1.3
197.11829	6.9
197.15475	7.5
197.80804	34.3
198.04114	1.3
198.12029	0.8
209.11821	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	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03460	1.0
59.01386	1.8
61.98842	2.4
69.03482	1.1
71.05045	1.3
74.70159	0.5
81.03448	0.9
95.01434	0.9
95.05070	0.6
97.06606	11.1
98.19867	1.1
99.08182	4.3
109.02986	1.2
109.06599	0.8
121.02987	1.9
122.03775	2.1
123.00921	6.6
125.02466	2.3
125.09741	1.2
126.01841	0.6
126.90529	4.0
133.09000	0.6
137.02451	1.3
137.09763	1.9
138.03252	1.8
149.03558	0.7
151.11317	1.0
153.01962	1.8
153.05621	3.0
153.12874	100.0
154.13232	6.8
160.82887	0.9
160.84235	17.5
161.84309	1.2
162.83937	45.1
166.99869	4.2
169.12424	1.0
178.99829	1.0
179.10800	23.8
179.12389	1.2
180.11150	1.4
182.02229	10.6
182.05902	1.2
196.89503	1.0
196.91122	1.2
197.02052	1.9
197.04596	4.8
197.06194	0.8
197.08173	2.4
197.09988	0.8
197.11826	13.9
197.15509	2.6
197.80809	28.4
198.12187	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0821
Annotation	Curvulide A
Peak:m/z	Relative Intensity
53.63870	0.6
54.68884	0.6
55.02903	0.5
59.01403	2.5
60.94187	0.7
61.98855	1.8
69.03465	0.9
69.62590	0.6
78.03580	0.6
78.95940	0.8
80.96523	14.4
81.03481	0.7
83.01414	1.3
86.31370	0.6
92.05096	1.1
95.01425	2.3
96.96046	1.5
97.02987	1.0
97.06649	0.6
107.05052	1.0
108.02222	0.8
109.02959	3.3
109.06639	1.1
110.00130	1.7
111.00910	1.4
116.52598	0.7
121.02984	7.1
123.00917	5.1
123.04558	1.5
124.07709	1.7
124.73377	0.6
125.02495	2.3
126.90562	2.2
133.03000	2.4
134.03766	20.3
135.04536	2.3
135.08223	1.0
136.01711	4.2
136.07697	1.7
137.02467	38.8
137.88187	0.6
138.03174	2.0
138.05592	0.8
139.04073	0.9
149.02396	0.9
150.03233	1.2
151.04015	6.9
153.01956	4.6
153.05612	4.0
153.09285	1.6
153.12833	1.6
154.05132	0.8
164.04829	1.9
166.02783	1.4
166.99916	4.8
167.03548	1.2
178.99983	0.6
179.03812	3.8
179.07207	1.0
179.10703	0.8
180.06705	1.0
182.02342	10.4
182.05859	100.0
183.06178	4.9
196.89612	1.4
197.00951	1.5
197.04654	8.7
197.08195	46.2
197.11877	4.1
197.15445	2.1
198.08296	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.1
62.67515	0.3
71.18321	0.6
71.18684	0.5
75.00890	0.9
102.34464	0.3
107.05066	0.4
108.02222	1.2
116.88763	0.3
122.03741	7.0
123.04591	1.7
130.98451	0.4
135.06682	0.8
136.01740	0.5
137.02495	1.0
140.43365	0.3
150.03246	100.0
151.03571	6.2
151.07689	0.4
151.08900	0.4
165.02048	1.8
165.05589	64.2
166.05937	4.6
167.43681	0.4
180.04300	18.6
181.04579	1.7
195.02959	0.6
195.06639	18.7
196.07008	1.8
208.37453	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0205
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00326	1.1
53.00304	0.5
55.37017	0.3
59.01379	1.8
61.98820	1.0
65.00325	0.4
65.01453	0.8
65.03970	0.6
65.99854	2.5
67.01877	1.1
68.01408	1.0
68.99805	0.9
71.01357	0.4
72.99274	0.5
76.01949	1.9
77.00352	0.3
78.03483	2.5
78.95924	0.4
81.03475	0.5
89.23487	0.3
92.01436	0.9
92.99853	0.5
94.02977	1.4
95.01392	2.2
96.00903	0.5
97.02934	0.5
104.01446	2.6
104.99825	0.8
105.02236	0.7
106.02995	1.1
108.02191	1.1
108.99281	0.3
109.02981	3.2
110.02464	0.5
116.92860	0.4
119.02538	0.7
120.00932	2.2
121.02961	1.4
122.02511	1.4
123.00909	4.2
125.01200	0.7
125.02466	0.8
126.90539	2.0
132.00908	1.0
133.01718	2.9
136.00417	0.7
137.02463	2.1
138.01979	1.7
138.03140	0.7
139.99927	0.5
150.01987	6.2
152.02205	0.4
152.95473	0.4
153.00829	0.5
153.01984	1.1
153.05582	1.3
153.09196	0.7
153.12852	0.9
160.84230	1.7
162.83942	5.0
163.01453	0.9
166.99872	2.7
167.01016	0.6
167.02167	1.9
167.03467	0.4
168.01784	1.1
179.01103	2.5
180.01764	5.4
182.02225	6.7
182.05824	1.3
196.89439	0.8
197.02048	100.0
197.08015	2.0
197.11815	5.3
197.15489	1.2
197.80804	3.4
198.02405	5.1
201.08121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0664
Annotation	ACETOSYRINGONE
Peak:m/z	Relative Intensity
51.26831	0.3
58.00610	0.5
59.01379	9.4
59.01653	0.5
66.03522	0.3
67.01881	1.7
70.45779	1.1
70.46121	0.3
83.60857	0.3
85.02975	0.4
93.03486	0.6
95.01446	0.3
101.15541	0.3
107.05053	0.6
108.04555	0.4
109.02975	3.5
121.02991	1.1
122.03787	0.7
123.04541	0.7
125.02511	0.3
132.65547	0.3
135.06656	1.6
136.01649	0.5
137.02467	34.6
138.02795	1.6
149.02370	0.3
150.03290	1.7
151.04037	1.4
165.01958	100.0
165.05544	1.9
166.02290	7.3
179.03506	1.2
180.04309	45.6
181.04654	2.7
195.02957	0.8
195.05171	0.5
195.06641	11.9
196.06842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
54.81343	0.7
57.03455	3.1
59.01380	100.0
60.01721	1.0
61.98831	10.8
70.14613	0.7
71.01376	6.5
71.65388	1.1
73.02958	6.0
83.01394	1.4
85.02954	11.6
87.00883	5.7
93.03443	3.6
95.01426	1.1
96.35299	0.8
101.02427	0.8
103.04023	2.0
104.02686	6.4
111.00906	9.1
111.04531	0.8
113.02476	1.6
118.99323	0.9
119.05054	1.7
121.02955	2.6
127.04043	1.0
129.01944	1.7
131.03528	7.9
131.04340	0.9
141.02007	0.9
147.00948	1.3
147.04549	2.3
147.08215	1.4
148.01662	7.5
148.04094	1.1
149.06142	0.7
150.00359	0.7
153.14253	0.7
163.00343	0.9
163.04074	0.8
176.01158	40.6
177.01659	3.9
190.99907	1.4
191.01987	1.3
191.03575	16.0
191.05667	32.5
191.07127	2.7
191.10667	3.5
192.04111	1.4
192.05978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
53.75598	0.3
53.77062	0.3
57.03455	1.4
59.01387	3.0
67.01904	0.6
69.48255	3.5
69.56808	0.3
85.02958	7.2
85.81540	0.4
87.00885	11.5
88.01240	0.4
91.79170	0.3
94.80143	0.4
100.37271	0.3
104.02693	16.9
105.03033	0.7
111.00896	22.9
112.01254	1.1
120.02190	1.3
123.00920	0.4
123.28073	0.4
125.00519	0.4
129.01958	1.2
148.01688	17.6
149.01999	1.1
176.01170	100.0
177.01517	6.8
180.00723	0.4
189.76587	0.3
191.01967	3.0
191.03525	25.1
191.05487	1.8
192.03838	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48085	0.3
57.03445	5.9
59.01373	1.7
67.01888	3.0
70.54996	0.3
70.82175	1.1
71.28862	0.3
85.02959	25.5
86.03329	0.6
87.00884	44.8
88.01210	1.1
88.02683	0.3
94.40437	0.5
101.02435	0.4
111.00895	100.0
112.01221	3.9
118.16385	0.4
129.01950	5.7
130.99869	1.2
147.03027	0.8
154.99898	0.5
173.00946	2.2
191.01990	16.7
191.05583	2.0
192.02347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0356
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
50.16831	0.2
59.01369	0.7
61.98843	0.3
65.99863	0.3
70.85553	0.1
71.48158	0.3
71.48499	0.2
93.47127	0.2
102.03496	0.6
116.05105	0.2
125.34930	0.2
127.54415	0.2
141.86839	1.8
144.04572	100.0
145.04918	6.1
159.87907	0.9
181.52187	0.2
187.86145	0.2
188.03557	4.2
189.03902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03453	6.3
59.01382	1.0
61.33849	0.5
67.01904	2.8
70.09164	3.1
79.96652	0.5
85.02962	24.7
87.00883	42.7
88.01247	0.8
111.00896	100.0
112.01250	2.7
123.53236	0.6
124.83901	0.6
129.01979	6.7
130.99896	0.7
173.00929	2.4
191.01994	16.1
191.05606	9.3
192.02402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.01
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46840	0.6
51.91534	0.6
59.01380	79.7
60.01690	1.1
60.44858	0.8
61.98833	5.5
69.57008	4.8
69.57425	1.2
74.99377	0.8
78.05783	0.7
80.33968	0.6
85.57486	0.6
97.06591	1.2
106.03804	0.6
114.98872	1.4
115.02523	2.5
117.00464	10.8
121.79769	0.7
122.89434	1.0
123.08221	0.9
125.09741	13.1
141.86864	6.9
142.89415	3.6
143.07149	1.2
144.99965	2.0
148.67218	0.7
159.01517	100.0
159.87863	6.1
160.01643	6.4
186.88390	1.0
187.01028	15.1
187.03860	1.5
187.09779	7.3
187.13464	1.3
187.86076	0.8
188.00632	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	187.0977
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
55.01875	0.8
58.33770	0.7
59.01382	1.7
62.16504	0.7
65.33886	0.8
71.01385	10.8
72.99319	10.6
87.00887	1.4
97.06605	94.9
97.55910	0.8
98.06948	3.7
99.00900	14.7
107.08685	7.3
108.35023	0.8
115.56464	0.8
117.01943	1.5
123.08184	27.1
124.08482	1.3
125.09754	7.0
134.30190	0.9
140.15857	0.8
141.09254	2.0
144.04552	0.9
151.07674	24.7
167.07167	2.7
169.08736	8.3
187.09785	100.0
188.10106	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	185.0093
Annotation	3-Carboxy-cis,cis-muconate
Peak:m/z	Relative Intensity
50.78174	0.7
57.03437	1.5
58.00587	0.7
59.01369	2.6
67.01901	5.2
68.99810	1.3
69.03458	32.9
70.03782	1.2
70.92570	0.6
71.01373	1.9
71.05029	0.9
71.67277	1.1
72.99323	1.0
78.95910	29.7
79.01888	2.1
83.01436	1.6
83.05002	0.8
85.02942	5.6
87.00894	1.1
95.01400	73.8
96.01722	2.5
96.96973	34.7
96.99411	0.7
97.02964	38.5
97.06593	3.8
98.03292	1.5
99.00893	1.0
99.04510	1.0
108.02178	0.8
109.02948	0.9
111.00919	4.6
111.04551	1.5
112.04044	2.0
112.49853	0.8
113.02467	3.2
113.06116	0.8
115.92071	1.7
123.00899	100.0
123.04523	3.3
123.08140	1.4
124.00388	1.0
124.01200	4.3
124.98772	0.8
139.00403	8.1
140.01114	1.3
141.01959	63.9
141.05585	2.4
141.09224	5.5
141.12875	0.7
142.02284	2.8
142.06694	1.1
142.96675	1.6
144.06642	1.0
160.97696	1.1
166.99869	30.6
168.00230	1.7
184.98590	2.2
185.00949	7.8
185.04695	3.3
185.06320	1.0
185.08212	2.3
185.11832	6.3
185.15454	2.3
186.01735	0.8
186.05521	0.8
186.07727	1.4
202.98761	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1392
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
68.99578	0.3
70.28825	0.5
92.99812	0.1
109.16119	0.1
111.00909	0.2
111.08224	0.2
112.98561	0.3
113.93813	0.1
120.95931	0.1
165.01993	0.2
168.00591	0.1
177.87181	0.1
183.13918	100.0
184.14258	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	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.03442	0.5
59.01367	0.6
60.94857	0.3
65.00337	0.6
67.01906	0.8
68.99585	1.3
69.03441	0.5
69.63015	2.3
79.35852	0.3
83.01427	0.4
83.05067	0.5
95.01389	0.6
95.05031	0.5
98.02495	0.6
98.19930	0.6
109.02988	0.4
111.00918	1.7
112.00431	0.4
112.04055	0.4
112.98597	2.7
124.01623	0.5
124.04066	0.3
124.98823	0.4
139.00418	1.0
139.07747	0.5
139.11330	0.7
140.07204	0.4
145.24210	0.3
152.98314	0.8
164.98309	0.8
165.01941	0.7
165.05884	0.3
168.00668	1.3
183.03000	2.2
183.10605	2.2
183.13927	100.0
184.06221	0.5
184.14259	6.4
199.14793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0301
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
62.44430	0.3
65.00323	0.5
67.01891	0.6
68.99837	0.7
69.74860	2.0
69.75264	0.9
71.01385	0.7
72.99323	0.8
82.00600	0.6
83.01387	1.2
84.32063	0.3
88.65931	0.3
98.20612	0.5
110.00105	1.0
111.00892	6.4
122.43163	0.4
123.00910	0.8
124.01677	7.9
127.00397	2.4
136.98830	3.9
139.00404	6.5
140.01181	11.5
151.00330	0.4
154.99854	1.0
168.00661	13.4
168.91960	0.3
169.01106	0.5
183.02998	100.0
184.03340	4.7
196.02980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
56.57687	0.2
57.01115	0.2
59.01378	0.2
67.01891	0.3
68.99566	0.4
70.03764	1.0
73.78540	0.2
92.99844	0.3
95.01381	0.2
111.00903	0.7
112.98592	0.5
114.84098	0.2
124.01714	0.2
125.01718	0.2
139.00414	0.3
139.07779	0.2
139.11346	0.4
139.44859	0.2
148.79140	0.2
152.98302	0.4
164.98297	0.2
168.00629	0.7
183.00565	0.3
183.03036	1.0
183.13914	100.0
184.14259	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	182.0461
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
58.19140	0.3
70.07781	1.8
79.80529	0.3
92.05064	4.0
92.48827	0.3
94.02988	1.3
108.04566	48.4
109.04925	2.0
110.06137	0.6
111.00938	0.5
111.85575	0.3
113.09996	0.4
120.04556	4.5
122.02496	1.2
123.03281	0.9
136.04053	1.4
138.05627	100.0
139.05975	4.5
152.98320	0.5
168.00703	0.6
180.94571	0.3
182.04597	28.5
183.04987	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	179.0563
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
50.14838	0.6
57.03460	0.7
58.00588	2.1
59.01379	29.9
60.02312	0.7
66.66559	0.7
68.99818	0.8
69.03484	1.0
70.55505	1.5
70.55900	1.5
71.00986	1.1
71.01385	21.1
71.01756	1.5
71.05031	3.5
72.99313	10.7
73.02958	8.0
75.00878	100.0
76.01241	1.0
76.73466	0.8
81.03465	7.2
83.01397	1.8
85.02959	10.4
87.00887	18.9
89.02456	12.7
93.30281	0.7
97.02964	2.4
99.00893	7.1
99.04536	2.5
101.02481	2.2
105.01959	4.4
113.02459	3.7
117.02037	1.0
119.03458	0.8
125.02458	1.4
131.03525	3.5
143.03517	15.5
144.03932	0.8
161.04561	17.9
162.05029	0.7
179.05624	73.3
180.05984	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	179.0563
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
57.03459	1.4
58.00587	4.3
59.01381	93.2
70.82037	3.4
71.01387	69.7
71.05006	2.0
72.99310	12.2
73.02943	6.9
75.00880	100.0
81.03452	7.0
83.01399	2.2
85.02966	14.6
87.00363	2.6
87.00879	26.1
87.01361	2.6
89.02460	38.2
90.98611	5.8
95.01411	2.0
97.02963	2.2
99.00896	9.5
99.04510	2.4
101.02434	7.1
113.02451	6.6
117.01966	1.9
119.03535	3.6
124.42516	1.4
125.02458	1.8
131.03503	2.4
135.04536	4.2
143.03517	14.6
144.03954	1.5
161.04584	20.4
173.95345	1.4
179.05641	76.3
180.05966	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	178.9509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98824	0.6
64.80991	0.2
67.48602	0.2
70.08952	1.1
70.09234	0.2
71.01377	0.7
87.00906	0.4
89.02466	0.4
98.20522	0.3
102.21120	0.2
119.93691	0.4
124.18459	0.2
134.96111	12.3
135.04582	0.3
135.96184	0.9
136.94031	100.0
137.94098	8.1
151.92738	10.6
152.92830	0.9
154.95081	0.5
161.04491	0.3
178.95082	54.2
179.05682	0.4
179.95183	4.5
196.96159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0195
Annotation	Esculetin
Peak:m/z	Relative Intensity
59.01372	1.4
69.48924	1.8
77.03988	0.5
81.03466	2.0
83.01546	0.2
89.03979	7.7
89.24705	0.2
93.03460	1.1
95.05027	0.8
98.20626	0.4
105.03477	11.8
106.03806	0.8
107.01423	0.4
109.02961	0.2
121.02975	0.9
133.02977	23.8
134.03310	1.7
138.62044	0.2
139.04073	0.5
149.02463	3.7
162.03261	0.7
177.01945	100.0
178.02284	7.5
178.03783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0195
Annotation	Daphnetin
Peak:m/z	Relative Intensity
53.42522	0.2
54.97529	0.2
57.03429	0.2
59.01380	12.2
65.03956	0.3
69.69335	1.8
69.69614	0.2
71.01396	1.3
72.99296	0.3
75.00862	0.2
77.03970	0.7
83.01373	0.2
85.02953	0.4
87.00885	0.6
89.02445	0.5
89.03967	0.4
93.03469	3.6
95.05045	1.0
98.19809	0.2
99.00847	0.3
105.03477	3.2
115.00381	0.4
115.04001	0.3
121.02972	8.3
122.03311	0.3
123.04532	4.3
125.02642	0.2
129.01959	0.6
131.01398	0.4
132.02214	1.8
133.02974	8.1
133.06595	0.6
134.03293	0.2
134.15666	0.2
139.04005	0.5
148.01706	0.4
149.02466	6.3
149.06152	0.2
150.02824	0.6
161.02332	0.3
162.03255	7.6
163.03580	0.3
177.01944	100.0
177.09186	0.8
178.02299	7.1
178.04933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.025
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
51.38420	0.5
52.99168	0.5
56.34272	0.5
57.03437	1.8
58.00581	1.1
59.01087	1.2
59.01379	24.9
67.01891	1.3
68.99804	1.0
71.01386	36.1
71.05015	0.8
72.01719	1.2
72.99311	5.3
73.02960	3.1
75.00893	0.8
83.01391	2.1
85.02960	5.4
85.06601	0.6
87.00883	82.3
88.01221	1.8
95.01371	0.7
98.20629	1.7
101.02451	1.3
104.02695	24.5
112.98832	1.8
113.02462	1.6
113.06133	0.8
115.00388	100.0
115.04018	1.8
116.00725	2.5
120.02191	2.1
123.00892	1.2
127.00423	0.6
129.01987	0.5
131.03517	1.5
148.01683	16.8
148.35503	0.6
174.88997	1.7
175.02513	28.6
175.03937	1.4
175.06139	2.0
175.07600	0.9
175.09808	1.1
175.11328	1.0
176.01181	22.2
176.02742	1.2
180.00621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.025
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01878	5.4
57.03453	6.1
59.01382	100.0
68.99811	4.7
69.03459	3.4
70.35538	8.4
70.35926	10.4
71.01387	46.6
71.05021	5.0
72.99309	13.1
73.02944	11.8
75.00869	10.5
83.01378	4.1
85.02966	22.9
85.06590	4.2
87.00887	40.0
93.03478	5.3
99.00882	43.9
100.98821	75.5
101.02460	5.6
111.04576	8.6
113.06128	6.8
114.32933	3.8
115.00391	42.1
115.04023	21.1
124.98821	12.2
127.97540	51.1
128.03566	11.8
130.99922	4.9
131.03534	19.1
132.98163	6.8
133.05101	7.8
135.04549	4.5
142.99916	9.4
148.98613	22.3
149.98798	4.2
157.01521	7.2
174.88982	10.1
174.96542	6.6
175.02466	16.2
175.04010	9.0
175.06181	25.4
176.03560	7.1
179.03523	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	173.0092
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
55.01873	1.4
55.46179	0.4
55.48497	0.5
57.03442	3.2
59.01368	2.6
64.22910	0.6
67.01886	3.4
68.99812	1.2
70.00329	2.9
70.00612	0.9
71.01384	22.7
72.99316	1.6
73.02942	2.1
79.64056	0.5
80.82966	0.5
80.99796	0.7
83.01387	3.0
85.02958	100.0
86.03285	3.0
87.00890	2.1
93.03465	2.1
95.23124	0.5
96.99307	1.1
99.00890	8.1
101.02467	1.1
103.53827	0.5
111.00894	49.8
111.04527	1.2
112.01228	1.8
112.98824	8.6
115.00384	1.2
124.98846	5.7
129.01953	18.1
129.05579	1.0
132.11667	0.5
142.99887	14.1
154.99869	0.7
155.03554	0.7
157.80586	0.6
173.00948	5.5
173.04562	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	173.0093
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
50.12474	1.2
53.00304	2.2
55.01883	8.0
57.03438	3.1
59.01384	9.6
67.01872	2.4
68.99810	4.0
69.97843	6.1
69.98248	2.7
71.01386	100.0
72.01706	2.1
72.99319	7.0
73.02942	5.5
80.99833	2.5
83.01398	10.4
85.02968	10.4
87.00894	7.2
93.03438	7.3
96.99300	3.5
99.00896	36.2
110.19064	1.4
111.00887	13.4
111.04542	3.6
112.98827	62.4
115.00402	4.1
122.13457	1.3
124.98821	24.0
129.01949	3.5
139.41011	1.3
140.98343	2.2
142.99889	64.2
144.00211	1.8
145.01503	1.5
148.40382	1.7
173.00931	13.9
173.04578	1.8
183.81085	1.3
185.66794	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	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
50.13415	0.2
50.90205	0.2
56.83813	0.2
57.03466	0.4
58.02967	1.1
59.01385	0.7
65.03979	0.3
67.01888	1.5
69.03483	0.4
69.85329	0.4
69.85652	1.6
71.01385	1.9
72.99337	0.4
73.02947	1.9
81.03471	0.3
82.06657	0.4
83.05048	1.0
85.02972	1.1
85.06613	0.3
86.07154	0.2
93.03466	8.8
97.02995	0.3
98.19953	0.4
99.00900	0.7
99.04530	0.5
101.02444	0.4
111.00896	1.4
111.04556	1.6
111.08184	0.7
112.04065	1.0
112.98826	1.0
113.02491	0.2
128.07988	0.4
128.10823	2.5
130.08755	100.0
131.09100	4.3
133.19212	0.2
137.02478	1.3
142.99896	0.3
143.03510	0.3
144.04555	0.8
155.03525	0.7
158.03679	0.3
172.04012	0.5
172.09796	15.5
173.02396	0.3
173.04585	1.9
173.08238	0.7
173.10100	1.0
173.11534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0145
Annotation	Gallate
Peak:m/z	Relative Intensity
66.24790	0.3
67.01896	0.8
69.03463	5.4
70.70961	1.0
79.01875	1.3
79.02710	0.2
81.03469	2.6
83.01399	0.7
95.01417	1.0
97.02957	4.7
107.01402	0.8
123.00929	0.4
124.01683	1.5
125.02462	100.0
126.02805	4.9
168.67247	0.3
169.01442	36.3
170.01794	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	172.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03445	1.1
58.00583	0.2
59.01381	2.1
60.99324	0.2
66.03477	0.3
67.01892	1.8
68.99825	0.3
69.03448	0.6
69.43161	1.6
69.43584	1.0
71.01385	12.2
71.05024	0.3
72.99311	2.7
73.02953	3.1
74.02496	0.3
78.38329	0.2
79.37042	0.2
83.01405	1.3
83.05031	1.1
84.04554	10.3
85.02962	5.5
85.04906	0.3
85.06607	0.8
86.02480	0.4
87.00886	0.8
93.03474	7.9
93.04067	0.5
94.02994	4.1
95.77866	0.2
96.00938	1.7
96.99334	0.6
97.01708	5.6
99.00900	4.9
99.04517	0.7
101.02439	0.4
110.02522	0.3
111.00902	7.4
111.04549	2.5
111.08182	0.5
112.04062	100.0
112.98838	3.8
113.02467	0.7
113.03702	0.4
113.04407	3.4
115.00385	0.9
117.00473	0.3
124.98840	2.4
129.01970	1.3
129.05608	0.6
130.05098	0.3
130.08757	0.3
131.08337	0.3
134.04794	0.4
137.02480	1.0
142.99878	6.7
144.04562	0.5
145.01433	0.3
154.05136	0.3
155.03503	0.7
160.26369	0.2
172.06174	6.0
173.00919	1.8
173.04597	2.1
173.06097	0.3
173.08163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1395
Annotation	Nitramine
Peak:m/z	Relative Intensity
57.03448	0.4
58.02974	100.0
59.03313	1.7
68.99839	0.5
69.03466	1.2
70.02976	0.6
81.03503	0.5
82.02991	0.4
96.66559	0.5
97.02966	1.0
98.20676	0.7
122.06187	0.9
122.89453	1.2
125.02459	14.8
125.09758	0.6
132.86891	0.4
138.05592	0.6
140.21721	0.4
148.71022	0.5
150.05597	0.8
151.11392	0.5
153.01564	1.1
153.99147	0.7
154.40018	0.5
168.03011	0.6
168.13943	11.4
168.83636	0.6
169.01436	6.2
169.12399	0.5
169.14343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.7
59.16602	0.2
63.59549	0.2
69.03453	0.3
69.26583	0.2
71.01390	5.3
71.01753	0.4
71.05643	0.6
72.99323	0.2
73.01448	0.4
73.98601	0.3
74.99371	1.6
78.95937	0.3
80.96529	1.7
82.99896	0.3
87.00935	0.3
91.15763	0.2
96.96967	0.4
98.99381	0.2
109.98606	0.3
117.00454	1.3
120.44973	0.2
125.00972	35.2
126.01081	2.5
126.98899	100.0
127.98996	7.7
141.97601	14.5
142.97801	1.3
150.97076	3.6
168.83678	4.4
168.98203	4.6
168.99947	38.5
170.00117	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	169.0145
Annotation	Gallate
Peak:m/z	Relative Intensity
52.74760	0.3
65.00330	0.3
67.01880	0.6
69.03459	6.2
69.13223	0.3
70.89920	0.9
71.01391	0.6
73.15302	0.3
79.01903	0.9
81.03466	2.0
83.01396	1.5
95.01400	0.9
97.02956	4.1
99.00864	0.3
107.01395	0.8
111.92372	0.3
113.02435	0.6
123.00906	0.3
124.01695	1.5
125.02468	100.0
126.02807	5.0
126.98872	0.9
151.00392	1.8
169.01451	38.4
169.37450	0.3
170.01762	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	168.0304
Annotation	2-Methoxy-4-nitrophenol
Peak:m/z	Relative Intensity
55.88870	0.3
61.20896	0.3
65.12968	0.3
70.15611	2.0
71.01390	0.4
77.22637	0.4
82.02972	0.3
97.03002	0.5
99.00867	0.5
108.02189	33.3
109.02498	1.9
122.02505	2.5
122.06180	0.4
125.02463	3.4
138.01999	75.9
139.02336	3.1
140.03561	0.7
145.67781	0.3
150.05598	0.9
153.01569	0.5
166.01485	69.8
167.01840	3.6
168.03047	100.0
168.98186	0.4
169.01492	1.3
169.03381	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	168.0669
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
57.03437	0.7
68.66878	0.6
68.99810	0.5
69.03473	1.4
71.01380	1.7
71.71400	0.8
78.95899	0.5
80.05048	0.8
80.96506	0.5
89.38707	0.5
92.05076	1.5
94.03020	0.7
96.96034	1.1
97.02961	0.8
107.03794	4.3
108.04573	20.2
109.04868	0.9
110.06162	2.9
113.02480	1.2
120.04549	2.0
121.05368	11.5
122.02492	2.0
122.06140	72.1
123.03256	0.6
123.06477	2.3
124.04018	0.8
124.98830	0.6
125.00958	1.5
125.02466	17.6
126.98906	4.4
133.96350	0.5
135.03284	3.9
136.04099	1.4
138.05632	22.9
139.05966	1.0
144.61494	0.5
148.04097	0.8
150.05632	100.0
150.97110	0.8
151.00345	0.5
151.05991	4.2
153.04366	1.3
166.05124	31.7
167.05458	1.4
168.06685	26.3
168.98232	0.8
168.99959	1.9
169.01440	10.4
169.07018	1.5
169.09320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21033	0.2
59.01389	0.3
65.00333	0.4
66.03506	0.6
67.01891	0.3
69.03456	0.3
71.19515	0.3
71.56161	0.3
71.70906	0.4
72.99314	0.4
80.05072	0.2
81.03487	0.5
85.81532	0.2
91.01913	0.6
92.05063	0.6
92.99837	0.3
93.03461	0.6
94.03796	0.2
95.01404	2.0
95.05054	0.7
105.02206	0.4
107.03783	0.3
108.02191	5.5
108.04572	0.8
109.02950	0.5
111.04504	0.3
113.98776	0.2
119.12834	0.2
120.05370	0.4
121.03004	1.6
121.05340	1.8
122.02483	0.9
122.03321	1.9
123.00884	1.8
123.04539	4.3
123.08170	0.6
124.01670	0.3
124.04042	0.3
125.02443	0.3
135.04547	0.7
136.04161	0.9
136.05315	18.3
137.02484	0.5
137.05649	1.1
138.05612	0.9
139.04005	0.4
140.12843	0.2
148.05002	1.4
150.18350	0.2
151.00438	1.2
151.03645	0.5
152.01172	12.3
162.34378	0.2
166.05110	100.0
166.83305	0.7
166.99889	0.6
167.03516	5.8
167.05446	6.6
167.07109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0305
Annotation	2-Furoylglycine
Peak:m/z	Relative Intensity
50.85761	0.2
51.11353	0.2
65.03953	0.4
65.99850	0.9
68.99802	0.4
69.03450	0.3
69.44102	2.4
71.01393	0.4
82.02995	0.3
95.01389	0.3
96.30033	0.2
97.02982	0.5
109.02964	0.5
121.02966	0.4
122.06142	0.6
122.89428	0.9
124.01672	0.7
125.02466	4.7
125.06125	0.3
125.09727	0.4
137.02467	7.6
138.03253	18.4
139.03557	0.6
150.02020	0.4
150.05606	0.8
151.00444	0.3
153.01622	0.4
168.03041	100.0
169.01434	2.0
169.03371	4.0
169.04919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0512
Annotation	Orthoform
Peak:m/z	Relative Intensity
58.21033	0.2
59.01389	0.3
65.00333	0.4
66.03506	0.6
67.01891	0.3
69.03456	0.3
71.19515	0.3
71.56161	0.3
71.70906	0.4
72.99314	0.4
80.05072	0.2
81.03487	0.5
85.81532	0.2
91.01913	0.6
92.05063	0.6
92.99837	0.3
93.03461	0.6
94.03796	0.2
95.01404	2.0
95.05054	0.7
105.02206	0.4
107.03783	0.3
108.02191	5.5
108.04572	0.8
109.02950	0.5
111.04504	0.3
113.98776	0.2
119.12834	0.2
120.05370	0.4
121.03004	1.6
121.05340	1.8
122.02483	0.9
122.03321	1.9
123.00884	1.8
123.04539	4.3
123.08170	0.6
124.01670	0.3
124.04042	0.3
125.02443	0.3
135.04547	0.7
136.04161	0.9
136.05315	18.3
137.02484	0.5
137.05649	1.1
138.05612	0.9
139.04005	0.4
140.12843	0.2
148.05002	1.4
150.18350	0.2
151.00438	1.2
151.03645	0.5
152.01172	12.3
162.34378	0.2
166.05110	100.0
166.83305	0.7
166.99889	0.6
167.03516	5.8
167.05446	6.6
167.07109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0511
Annotation	Orthoform
Peak:m/z	Relative Intensity
60.97833	0.2
65.99847	0.2
66.03478	0.3
69.76966	1.3
80.02677	0.3
80.05087	0.2
91.01878	0.4
91.22400	0.2
93.03477	0.4
93.99353	0.4
94.03073	0.2
95.01382	1.4
95.05079	0.2
101.33792	0.2
108.02184	3.4
108.04534	0.4
120.05394	0.4
120.89874	0.2
121.02966	9.8
122.02493	0.5
122.03309	2.1
122.06172	0.3
123.00927	1.1
123.04546	3.1
124.01684	0.3
125.02475	0.3
129.47844	0.2
135.04480	0.2
136.05315	8.6
137.05663	0.5
138.05615	0.5
139.04044	0.3
148.04865	1.2
151.00334	0.7
151.02760	19.3
152.01176	8.1
152.02991	1.0
166.05104	100.0
166.83363	0.3
166.99881	0.4
167.03525	3.4
167.05444	5.8
167.06999	0.3
167.10762	0.3
183.01743	8.9
183.40955	0.2
184.02098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.03300	0.7
57.03447	5.5
59.01376	7.9
61.98833	2.0
62.47142	0.6
64.30505	0.7
65.00324	2.0
66.03484	0.9
67.01908	0.9
67.58292	0.7
68.99796	1.0
69.03462	2.6
71.01380	10.5
71.05009	1.0
72.99319	18.5
73.02942	2.7
74.99081	0.8
75.00872	1.7
77.03982	5.1
80.02691	2.1
80.05056	0.8
81.03474	4.4
83.05047	8.3
85.02959	5.2
87.00877	7.5
87.04556	1.0
89.02451	4.1
92.99847	4.8
93.03468	7.1
93.99340	1.2
95.01423	1.3
95.05029	7.1
97.06601	11.5
101.02465	4.6
101.03936	0.7
103.04046	0.9
105.01946	5.4
106.89828	0.9
108.04576	0.9
109.02954	3.5
109.06621	1.2
111.08176	15.2
112.08459	1.0
119.05048	21.4
120.05370	1.4
121.02975	100.0
121.06584	1.4
122.02525	1.5
122.03325	3.5
122.03857	1.8
122.06145	1.0
123.03285	0.7
135.04546	1.7
136.05338	0.9
137.02480	6.0
137.06071	1.1
137.09700	1.0
138.05620	1.2
145.45345	0.8
147.04541	61.5
147.11882	0.9
148.04926	4.2
149.00996	5.5
150.03249	15.3
151.00397	2.1
163.11304	3.3
164.83636	13.5
164.89563	6.7
165.01959	14.3
165.04103	5.7
165.05594	25.5
165.07718	3.9
165.09225	2.7
165.12871	31.3
165.14278	1.5
166.05052	4.8
166.13101	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	165.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01376	9.8
70.11276	2.5
71.01392	7.9
72.99310	4.2
73.02953	4.7
75.00878	13.5
85.02940	2.1
87.00886	100.0
88.01229	2.3
89.02451	4.1
93.03488	0.7
99.00256	0.7
99.00895	10.5
101.02438	5.1
105.01950	83.1
106.02296	2.4
117.01962	3.1
119.03491	1.2
121.02966	2.1
129.01939	1.1
135.03001	2.3
147.03006	8.6
165.04060	63.7
166.04413	2.2
169.44618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.5
59.01382	8.2
61.98849	1.0
65.00328	2.3
65.81213	0.7
65.99853	0.9
66.03487	1.2
67.01903	0.8
69.03461	2.3
71.01390	12.3
71.05032	0.9
72.01714	0.7
72.99316	17.2
73.02950	4.1
75.00886	2.5
77.03974	5.1
80.02705	1.3
81.03468	5.1
83.01401	1.3
83.05045	7.9
85.02963	4.1
87.00892	7.8
87.04528	1.6
89.02445	5.4
91.01889	0.9
92.99813	4.9
93.03471	6.0
93.99384	1.0
94.03783	0.8
95.05047	4.7
97.06604	14.3
98.20712	1.2
99.00887	0.7
99.04501	0.8
101.02458	5.1
101.04025	1.1
102.07086	0.7
103.04055	1.5
105.01962	5.0
108.04572	1.2
109.02962	1.7
109.06638	1.8
111.07449	1.1
111.08178	14.3
112.08469	0.6
119.05049	15.9
120.05386	0.9
121.02975	100.0
121.06625	1.6
122.02479	1.6
122.03329	3.9
122.03870	0.8
122.06173	0.9
123.00866	1.2
123.04567	0.7
123.08186	1.0
136.05324	0.8
137.02486	6.0
137.06067	0.9
137.09775	0.8
138.05533	0.7
145.03957	0.8
146.73732	0.6
147.04549	49.1
147.06506	1.6
148.04927	4.0
149.00981	5.3
149.02147	0.9
150.03253	17.2
151.00369	2.1
163.11278	4.1
164.83650	5.8
164.89587	6.4
165.00768	0.4
165.01939	15.2
165.04077	5.9
165.05583	22.1
165.07722	5.2
165.09241	3.4
165.12860	28.1
166.05074	5.7
166.13222	2.7
177.40495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0407
Annotation	L-Xylonate
Peak:m/z	Relative Intensity
55.01875	0.5
57.03448	0.3
57.48808	0.3
59.01381	5.9
68.99811	0.5
70.37085	1.1
70.37508	0.9
71.01384	5.3
72.99323	3.6
73.02952	2.1
75.00880	7.4
75.88416	0.3
85.02975	0.5
87.00886	100.0
88.01218	1.9
89.02460	3.0
99.00896	11.3
100.01228	0.6
101.02470	3.8
105.01949	86.0
106.02282	2.1
107.74384	0.4
117.01940	3.4
119.03504	0.9
129.02005	0.5
135.03009	2.1
147.03008	9.8
148.03395	0.4
150.91660	0.3
165.04062	70.3
166.04382	2.9
174.15396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.072
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
59.01386	3.1
60.01720	0.5
67.41812	0.5
70.15238	2.4
71.01398	3.4
72.00919	35.8
72.99283	1.5
73.02937	1.0
75.00855	1.8
85.02937	1.3
86.03279	0.6
87.00891	11.7
89.02428	1.0
91.05518	2.0
93.03424	0.9
99.00871	1.1
101.02442	1.7
103.03978	0.7
103.05542	1.0
105.01954	9.4
119.05057	2.8
120.04581	0.7
120.05389	1.5
121.02983	9.5
122.03717	0.9
137.02461	1.2
144.88368	0.5
147.04547	100.0
148.04901	6.1
149.02473	0.8
149.42329	0.5
150.03239	12.1
150.04343	0.9
158.39386	0.5
164.07204	52.4
165.01936	1.3
165.04086	7.8
165.05600	2.2
165.07603	4.1
165.08786	0.6
174.00790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0458
Annotation	Lichenin
Peak:m/z	Relative Intensity
55.01877	5.4
55.76488	1.4
57.03453	16.5
58.00592	5.0
59.01381	77.1
61.98829	10.3
62.96602	1.2
68.99826	1.7
69.03458	4.8
70.05179	4.9
70.05590	2.6
71.01389	70.5
72.01685	1.5
72.99313	10.1
73.02955	57.7
74.03300	1.9
75.00883	5.8
75.68145	1.3
78.95911	1.7
81.03464	12.4
83.01397	22.4
84.02167	2.7
85.02963	100.0
86.03278	3.0
87.00893	11.4
89.02452	23.8
95.01394	5.8
97.02962	8.7
98.19895	1.5
99.00886	1.8
99.04523	6.8
101.02457	25.0
102.02840	1.4
103.04100	1.3
113.02472	21.6
115.03968	1.4
117.03473	2.9
119.00235	1.3
125.02452	2.9
131.03523	47.7
132.03857	1.5
133.02969	2.1
134.02473	1.3
139.54883	1.2
139.89230	1.4
160.89273	4.2
161.01237	2.6
161.02515	11.3
161.04594	41.7
161.06018	2.7
161.08281	2.0
161.89481	1.7
162.01947	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	157.0872
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
57.03443	1.8
59.01375	16.9
60.62605	1.0
62.06654	1.0
67.05554	1.7
69.03480	1.5
71.01385	11.1
71.05026	1.7
72.17110	1.1
83.05035	2.2
84.99326	6.6
85.02953	1.3
87.00888	1.5
93.07128	1.7
99.00900	4.2
103.07919	1.1
104.50480	1.1
109.06606	6.4
111.08183	5.6
113.06119	2.8
113.09739	1.9
121.06615	2.5
125.02398	1.0
127.00407	9.6
127.07661	36.3
128.07983	2.7
139.07660	29.6
140.07071	1.4
140.08066	2.2
156.06682	3.0
156.89481	2.8
157.01428	1.6
157.08720	100.0
157.12294	7.4
158.08154	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	156.0668
Annotation	N-Tigloylglycine
Peak:m/z	Relative Intensity
50.97586	0.5
55.01889	0.8
56.88863	0.4
57.03445	0.9
58.81221	0.5
59.01377	1.6
61.27123	0.5
68.99825	1.7
69.03454	1.1
70.02982	5.0
70.06978	0.4
70.10833	2.4
71.01389	1.0
71.19279	0.4
71.55755	0.4
75.08173	0.5
80.05089	0.5
83.05035	1.4
84.02165	0.9
84.04561	1.4
84.96746	0.5
84.99326	1.0
85.02975	1.3
95.05048	1.1
98.02498	4.6
98.06121	1.5
98.99919	0.5
99.00903	2.8
108.04559	5.3
110.02512	3.8
110.94762	0.5
111.08131	0.5
112.04026	1.4
112.07716	7.4
113.06079	2.9
114.05625	10.6
115.00381	1.2
123.03274	0.9
124.98836	1.0
126.05629	8.8
127.00387	4.5
129.05632	0.8
138.05627	3.8
139.00407	0.8
146.20419	0.5
154.05110	5.0
156.06677	100.0
156.89543	1.6
156.99615	0.6
157.01437	1.6
157.05087	1.8
157.07022	6.3
157.08702	1.9
157.12318	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	155.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.1
59.01379	100.0
60.01709	2.3
67.01892	5.4
67.29304	0.8
69.03455	1.7
70.02988	1.0
71.01365	1.5
71.41465	1.5
77.70082	0.8
78.95909	0.8
81.03444	2.0
83.01391	14.0
83.05034	21.1
84.00922	3.6
84.04583	1.2
84.05374	1.0
85.02974	1.5
93.03459	5.4
99.92607	2.2
108.04610	0.9
109.02968	1.9
111.00909	7.8
111.04547	4.7
111.08182	4.6
112.00452	1.1
112.04072	1.2
113.02412	1.2
114.05627	9.0
125.04391	1.0
126.05612	2.1
127.00366	4.2
132.97749	0.7
137.02469	1.6
138.25545	0.8
140.01178	4.2
154.86894	7.8
154.99896	10.2
155.02658	3.0
155.03664	1.9
155.07188	5.5
155.10826	2.5
155.86588	44.9
156.06686	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	153.056
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
51.63868	0.3
54.76020	0.4
63.07930	0.3
65.03958	0.8
66.03493	0.8
67.01904	0.5
68.99825	0.5
69.03453	1.3
71.01390	0.5
81.03468	4.2
82.03011	1.0
83.01396	1.1
85.02947	2.2
89.02460	0.8
91.01897	0.5
93.03490	1.1
95.01405	3.4
95.05041	2.0
96.01793	0.3
96.99319	0.5
97.02984	0.8
98.02522	0.4
103.19790	0.3
107.05005	0.5
108.02195	23.2
109.02975	72.2
109.06618	1.2
110.00120	5.4
110.02662	0.5
110.03305	2.6
120.38849	0.4
121.03020	0.4
122.03768	1.9
123.00957	2.8
123.04546	100.0
124.04057	9.5
124.04900	5.1
125.02493	3.0
135.04555	2.3
136.04053	3.3
137.99622	5.9
139.02832	0.4
141.51714	0.3
151.00414	0.9
153.01968	34.7
153.05591	20.3
153.09149	0.6
153.12843	0.8
154.02437	1.9
154.05055	5.3
168.45062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0196
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
56.84935	0.4
57.03448	3.6
63.02396	1.4
64.99979	0.6
65.00327	10.0
65.03961	0.5
66.03477	0.7
67.01884	3.1
68.99818	7.9
69.03453	0.6
69.38966	3.9
76.13172	0.3
80.96516	0.4
81.03465	3.0
82.03020	0.6
83.01394	25.5
84.01736	0.8
85.02963	2.9
89.02457	0.6
94.69238	0.4
97.02955	0.5
107.01404	13.2
108.02231	2.8
109.02969	31.5
109.06584	0.5
110.00098	3.2
110.02573	0.4
110.03304	1.6
111.00890	2.0
123.00887	0.6
123.04514	1.4
124.04078	1.8
125.02465	13.8
126.02802	0.5
135.04570	0.5
136.04005	0.7
137.99603	2.9
151.00388	53.6
152.00737	3.2
153.01955	100.0
153.12888	0.8
154.02313	5.8
154.05093	1.3
154.07623	0.3
168.13783	0.3
169.01491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0196
Annotation	Gentisic acid
Peak:m/z	Relative Intensity
50.66299	0.2
54.97259	0.2
56.12872	0.2
57.03453	0.3
65.19387	0.2
68.99818	0.7
69.03459	1.0
70.84338	0.5
71.01389	0.8
79.01891	0.4
80.47079	0.2
80.96558	0.3
81.03468	4.4
83.01394	0.3
85.02958	5.8
85.68515	0.2
87.71487	0.2
89.02481	0.4
95.01403	5.9
96.99331	0.3
97.02967	0.4
108.02191	64.7
109.02973	100.0
110.00103	1.0
110.02546	0.3
110.03310	4.2
113.02429	0.6
123.00903	6.2
125.02422	0.3
137.99631	0.3
151.00426	0.3
153.01958	43.7
154.02312	2.0
154.05063	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0196
Annotation	Gentisic acid
Peak:m/z	Relative Intensity
65.51839	0.4
68.99813	1.0
69.03455	1.1
71.01389	0.9
71.44598	0.7
81.03474	4.2
83.01383	0.4
85.02959	6.4
90.48312	0.4
91.81789	0.4
95.01403	6.3
100.81451	0.3
108.02191	61.5
109.02975	100.0
110.00109	0.5
110.03309	4.1
113.02436	0.7
115.65334	0.4
123.00906	6.3
123.04548	8.6
124.01199	0.4
124.04062	0.5
124.04882	0.5
125.02531	0.6
137.99619	0.7
147.15073	0.4
153.01961	47.4
153.05481	1.9
154.02274	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	152.0356
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
50.43523	0.2
58.08466	0.1
58.70196	0.1
62.23840	0.1
63.67664	0.2
66.03486	1.0
69.46591	0.2
69.67489	1.3
77.71809	0.2
81.03466	0.4
98.20567	0.4
105.88411	0.2
108.02180	0.9
108.04522	0.4
108.12821	0.2
109.02968	6.3
110.00133	0.5
121.02946	0.8
122.03758	33.9
123.04062	2.2
125.02476	0.3
137.02054	0.4
137.99596	0.6
152.03554	100.0
153.02063	2.0
153.03912	6.0
156.19450	0.2
162.03757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0458
Annotation	DL-Xylose
Peak:m/z	Relative Intensity
53.98014	1.1
59.01382	9.7
63.77521	1.3
69.03446	1.8
70.07621	1.4
71.01389	31.5
71.17859	3.6
73.02949	19.6
76.22634	1.2
87.00879	13.1
89.02455	100.0
90.02806	2.7
94.53976	1.3
98.03937	1.3
101.02458	1.9
103.04012	5.6
108.70390	1.2
109.34727	1.1
131.03511	12.7
144.62579	1.2
149.04564	53.9
150.04871	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	152.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53397	0.3
65.00338	0.3
66.03496	2.6
69.03453	0.3
71.60640	0.2
71.73302	0.3
76.01914	0.3
77.40511	0.2
78.03497	1.4
78.12794	0.2
81.03461	0.9
95.01410	0.2
100.51673	0.2
104.01369	0.3
107.03789	4.4
108.02185	1.6
108.04611	0.5
109.02968	14.4
109.06566	0.3
110.00120	1.0
110.02479	0.3
121.02959	0.4
122.02388	0.8
122.03757	25.1
123.04105	1.0
125.02416	0.7
128.18755	0.2
134.02490	0.3
135.03322	0.3
135.04512	0.3
137.01999	0.6
137.99593	1.1
152.03551	100.0
153.01997	5.4
153.03883	6.5
153.05363	0.4
153.05591	0.6
154.02797	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0303
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
50.66796	3.6
52.02957	4.0
53.17805	4.1
55.01883	5.1
57.03442	7.5
59.01376	28.9
61.46069	4.0
68.99822	5.2
71.01386	100.0
71.01750	6.9
71.05032	4.5
71.71861	3.7
72.99326	10.1
74.38622	4.5
75.00874	19.8
85.02968	6.5
89.02470	6.0
96.96004	5.5
99.00893	33.1
101.02444	5.9
101.06107	10.7
102.03507	5.4
103.17448	4.7
119.03446	3.7
119.05041	8.7
129.01953	5.3
147.01987	18.0
147.02980	16.7
147.04527	17.9
147.06641	8.9
148.04047	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	149.0457
Annotation	L-xylulose
Peak:m/z	Relative Intensity
50.19292	1.0
53.40346	0.9
59.01383	9.5
61.57144	1.1
65.61539	1.3
69.03461	1.4
70.52203	4.1
71.01382	34.5
72.99339	2.0
73.02581	1.9
73.02955	21.5
74.22100	1.1
75.00872	4.0
79.95754	2.1
85.02937	1.5
87.00889	10.2
89.02454	100.0
89.52031	1.2
90.02794	2.4
101.02430	1.7
101.32592	1.1
103.04021	8.1
103.62492	1.2
105.52909	1.2
113.78030	1.2
131.03506	9.6
134.03693	1.4
148.95195	5.6
149.00897	1.4
149.04578	55.5
150.04848	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	147.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66796	3.6
52.02957	4.0
53.17805	4.1
55.01883	5.1
57.03442	7.5
59.01376	28.9
61.46069	4.0
68.99822	5.2
71.01386	100.0
71.01750	6.9
71.05032	4.5
71.71861	3.7
72.99326	10.1
74.38622	4.5
75.00874	19.8
85.02968	6.5
89.02470	6.0
96.96004	5.5
99.00893	33.1
101.02444	5.9
101.06107	10.7
102.03507	5.4
103.17448	4.7
119.03446	3.7
119.05041	8.7
129.01953	5.3
147.01987	18.0
147.02980	16.7
147.04527	17.9
147.06641	8.9
148.04047	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	146.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.9
59.01384	8.5
66.24051	0.8
68.36339	0.7
71.01395	4.9
71.35844	1.6
74.02468	1.4
75.00873	2.0
83.01407	0.9
84.04557	1.1
85.02970	2.0
86.55665	0.6
87.00879	1.3
89.02436	0.7
94.95768	0.6
99.00875	2.1
101.02463	1.0
102.05623	100.0
103.05962	4.1
126.49225	0.7
128.03563	39.2
129.01947	1.3
129.03888	2.4
144.93645	0.7
146.04625	22.1
146.95148	1.2
147.03027	1.6
147.04956	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	145.0145
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
54.26975	6.4
55.01883	12.8
56.01731	7.3
57.03451	16.0
59.01379	32.2
70.36137	12.7
70.36533	20.1
71.01392	98.5
72.99305	28.2
73.02960	13.3
74.02463	6.9
75.66851	6.0
80.58385	6.2
83.01386	31.3
87.00880	48.7
98.08051	7.2
99.00912	10.7
101.02460	58.0
102.05614	42.8
115.00369	74.2
127.00353	41.7
128.03540	14.0
143.84805	6.9
144.96495	100.0
145.01442	45.3
145.05110	12.6
146.02501	10.4
146.04550	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	144.0458
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
59.01376	0.3
65.99859	0.4
67.39772	0.3
69.60620	2.4
71.01380	0.7
73.02959	0.4
79.98425	0.2
81.03474	0.3
82.53589	0.2
83.05030	1.1
85.02953	0.4
85.83582	0.3
92.41578	0.3
95.85310	0.3
98.19881	0.7
99.08127	0.4
101.06100	1.2
102.03496	0.7
102.05566	0.3
116.05104	0.7
119.04137	0.3
122.17029	0.3
143.86554	0.3
144.04573	100.0
144.96477	0.9
145.01537	0.3
145.03001	0.4
145.04938	7.3
145.08772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0144
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
57.03441	18.5
59.01365	8.3
68.25220	6.2
69.76353	28.8
71.01386	17.6
73.02943	13.4
87.00883	12.0
89.98081	5.3
99.00922	7.8
101.02460	100.0
102.05622	86.6
115.00372	15.1
128.03557	34.2
145.01407	15.7
146.04594	18.6
150.11156	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	143.0716
Annotation	alpha-Ketopantoate
Peak:m/z	Relative Intensity
52.27673	4.0
59.01366	5.7
69.03461	6.6
71.01389	34.5
71.18920	5.9
71.19264	6.2
71.80546	3.7
72.99261	3.8
81.03423	4.0
85.02958	22.9
85.24826	3.5
87.00842	6.9
95.05048	22.3
97.06604	93.7
99.04482	4.1
99.08154	13.8
114.36597	4.2
124.98824	6.1
125.02428	9.5
134.82587	3.4
142.99860	13.6
143.03503	8.8
143.07167	100.0
143.10777	14.9
144.03630	5.3
144.04601	50.6
144.06580	7.7
144.07562	8.5
162.80408	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9988
Annotation	3-Vinyl-4H-1,2-dithiin
Peak:m/z	Relative Intensity
53.00314	13.4
59.01375	6.6
60.74374	1.7
68.99825	3.1
69.03455	3.4
70.78049	6.2
70.78426	2.6
71.01385	44.7
72.01730	3.1
72.99327	3.3
80.99828	5.4
83.01389	2.6
85.02951	11.8
87.00873	10.6
89.97414	1.7
96.99319	13.6
97.02998	3.4
102.05626	4.3
111.00903	3.3
112.98837	24.1
113.02425	2.7
115.00353	3.7
118.22496	1.9
120.37365	2.1
123.33474	1.9
124.98825	51.5
125.02463	5.4
125.99137	2.9
139.70370	1.8
140.98323	9.5
142.99879	100.0
143.03542	3.9
144.00182	4.6
144.04608	2.2
144.06641	2.8
158.99442	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48630	1.6
53.00312	16.0
55.01862	2.4
56.73580	1.7
59.01369	7.2
68.99829	2.8
69.03458	1.6
70.02494	7.6
70.02915	3.7
71.01388	35.2
73.54088	1.8
80.99830	2.5
85.02964	5.3
87.00874	11.6
92.00461	2.1
96.99342	14.5
97.03005	1.9
98.19934	2.2
99.04527	1.9
112.98818	20.7
115.00372	6.0
119.75175	1.8
124.98820	44.2
125.99205	4.6
140.97310	2.0
140.98308	8.1
142.99878	100.0
143.03494	3.5
143.10803	2.2
144.00218	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	138.02
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
51.68816	0.4
69.61993	3.2
74.04402	0.3
98.20677	0.7
108.02190	46.6
109.02518	2.0
117.70131	0.4
137.12291	0.4
138.01991	100.0
139.02351	5.0
150.52252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0564
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
55.01880	9.4
65.99843	1.4
66.03489	1.9
67.01898	13.3
68.01405	2.0
68.99827	4.3
69.03453	1.6
70.79126	0.8
71.01400	0.9
71.66992	1.1
71.67368	1.6
73.60014	0.8
78.95898	2.0
82.03034	1.1
83.01396	10.6
83.05018	1.4
92.05065	12.7
93.03473	4.6
94.02995	36.5
94.03808	11.9
94.98141	1.7
95.01407	7.2
95.03338	2.2
95.05047	3.5
96.00906	1.3
96.96014	6.6
97.02962	1.5
108.02187	13.1
108.04566	45.8
109.04900	3.1
110.02486	4.4
110.03236	1.6
110.06126	2.3
111.00896	61.2
111.04523	1.8
120.04574	13.3
121.03014	1.1
121.04973	1.0
122.02509	4.9
123.00918	2.4
123.03278	12.6
124.01685	2.8
136.00438	3.5
136.04080	1.2
138.01967	41.9
138.02847	7.1
138.05626	100.0
139.00401	39.8
139.02344	2.5
139.04051	8.2
139.05025	1.8
139.05995	6.9
139.07642	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	137.0611
Annotation	4-Hydroxyphenylethanol
Peak:m/z	Relative Intensity
54.84921	0.4
56.28149	0.4
71.71228	0.8
74.99097	0.5
93.03469	44.4
94.02987	1.0
94.03799	3.3
104.69834	0.5
107.05042	100.0
108.02193	5.3
108.05386	7.0
109.02991	2.5
119.05043	65.3
120.05380	6.2
123.03362	0.6
135.04562	1.0
136.00462	0.9
136.01685	2.2
136.86319	2.0
136.89149	2.8
137.02477	26.3
137.05083	0.8
137.06104	10.4
138.01970	10.6
138.02902	1.4
138.05621	2.1
138.06543	0.7
154.01552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0303
Annotation	Threonate
Peak:m/z	Relative Intensity
59.01378	10.7
71.01380	7.4
71.65211	1.5
72.99316	15.3
73.01797	2.3
73.43586	0.9
75.00877	100.0
87.00889	3.9
89.02459	8.0
102.72592	0.9
115.00378	1.6
117.00813	4.3
117.01892	2.3
135.02055	1.5
135.03011	35.1
135.04584	2.3
136.03337	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	137.0246
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
54.12299	0.3
69.72727	1.5
69.73138	0.6
70.95968	0.3
93.03471	100.0
94.03810	6.1
107.05036	0.8
108.02177	1.6
109.02966	0.4
119.05045	0.4
137.02470	24.8
138.01930	2.9
138.02832	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	130.0877
Annotation	Isoleucine
Peak:m/z	Relative Intensity
57.03440	0.9
59.01379	3.1
68.02599	0.6
70.10416	3.3
71.01389	13.5
73.02952	35.3
84.11643	0.6
85.02965	2.4
87.00875	1.1
87.04541	3.1
101.02458	0.8
103.03976	0.9
113.02418	0.7
130.08759	100.0
131.03531	2.3
131.09117	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	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60649	0.9
70.89688	1.5
70.90040	2.2
71.01387	68.1
72.01720	2.2
72.99309	17.1
78.74818	1.0
87.00878	1.1
89.02462	8.0
115.00385	100.0
116.00731	4.8
133.01453	29.7
141.50603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
57.95129	0.4
59.01372	1.0
62.72168	0.4
70.95193	1.2
71.01388	58.7
72.01729	1.7
72.99311	14.7
79.81576	0.4
84.01087	0.4
84.47287	0.4
87.00884	1.6
89.02461	8.6
97.89237	0.5
109.24146	0.4
115.00391	100.0
116.00728	3.7
133.01453	29.5
134.01804	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	129.0197
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
55.01868	6.0
55.51745	3.2
57.03454	26.4
63.26515	3.3
67.01896	52.8
68.99834	8.9
69.58791	2.6
69.58871	4.6
69.59230	28.7
71.01384	6.5
72.99302	5.0
82.89627	3.1
85.02960	100.0
86.03339	6.1
88.04038	5.7
104.16322	3.2
107.35597	2.9
129.01964	24.1
130.08774	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	129.0197
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01874	14.1
57.03447	63.1
58.10656	5.4
58.16740	5.3
67.01897	100.0
71.01380	6.0
71.72450	10.5
73.02939	5.9
76.94703	5.7
78.17146	5.0
83.01400	8.5
85.02962	64.4
88.04062	9.0
92.76979	5.2
93.44725	5.1
99.00864	6.3
101.02431	7.7
111.00876	5.0
128.90173	18.7
129.01978	32.8
143.24751	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	121.0298
Annotation	Salicylaldehyde
Peak:m/z	Relative Intensity
50.69508	0.2
57.68125	0.2
62.72882	0.2
63.81449	0.2
65.03963	0.7
93.03467	100.0
93.75193	0.2
94.02950	0.3
94.03157	0.3
94.03802	5.4
97.42480	0.2
98.19914	0.5
109.76954	0.2
115.72314	0.2
115.87360	0.2
121.02969	19.5
122.02505	0.5
122.03332	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0455
Annotation	p-Hydroxybenzyl alcohol
Peak:m/z	Relative Intensity
51.12683	0.4
51.21548	0.3
53.78300	0.3
55.69549	0.4
61.20988	0.3
62.43544	0.3
69.48577	3.1
69.48985	0.8
79.13379	0.4
93.03468	55.4
94.03806	3.1
95.01418	2.3
96.01731	0.4
105.03412	0.4
105.43985	0.4
109.49741	0.3
121.02971	100.0
122.03300	6.1
123.00905	1.6
123.04538	20.1
124.04884	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	121.0298
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.71011	0.2
65.03970	1.1
66.03491	0.5
69.78694	1.1
69.96044	0.2
70.16217	0.2
70.21111	0.2
71.01380	0.3
93.03471	100.0
94.03001	4.8
94.03811	4.6
95.01374	0.2
95.02538	0.2
98.19862	0.3
108.02197	0.8
112.54415	0.2
117.90349	0.2
120.99673	0.6
121.02973	56.7
122.02499	5.9
122.03339	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	1179.6859
Annotation	Unknow
Peak:m/z	Relative Intensity
81.83094	0.1
83.05018	0.2
141.09067	0.1
150.21989	0.1
200.56795	0.1
209.11809	0.1
211.13335	0.1
215.96007	0.1
229.18275	0.1
300.99725	0.1
361.25690	0.1
375.26962	0.1
377.28555	0.9
378.28711	0.2
381.27997	0.1
393.27396	0.1
393.31821	0.2
394.70566	0.1
395.29532	0.6
396.30188	0.1
411.32968	0.1
419.29660	0.4
421.27399	0.4
425.26569	0.1
437.30600	6.9
438.30899	1.1
441.30042	0.2
453.30054	0.1
455.31653	4.9
456.31970	0.9
471.30869	0.2
473.32632	0.1
499.30637	4.8
500.30911	0.8
517.31635	100.0
518.31989	18.0
519.32336	0.9
520.32404	0.1
529.22278	0.1
589.24518	0.2
661.23126	0.2
679.38733	0.1
688.64374	0.1
1107.04395	0.1
1147.55957	0.1
1179.67212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.6758
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03474	1.0
83.01394	0.3
83.05035	2.9
85.02962	1.0
87.00894	0.4
89.02458	1.1
93.03459	0.5
95.01405	0.3
95.05048	0.6
97.02956	1.8
97.06638	0.3
98.37737	0.2
99.00916	0.6
101.02452	2.0
109.06609	8.3
110.03753	0.3
110.06937	0.3
111.00883	0.2
111.04521	0.4
113.02448	1.2
118.47849	0.2
119.03521	0.3
121.06627	0.9
123.04581	0.3
123.08176	0.5
125.02468	0.4
125.09743	0.8
128.27412	0.2
129.01990	0.3
135.08189	1.2
136.05370	0.4
142.02736	0.4
145.05106	0.3
145.10251	0.2
149.09689	0.2
150.03136	0.2
161.04596	0.9
161.09799	0.6
163.11304	6.1
164.11653	0.5
165.12883	0.8
171.10304	0.7
175.11269	0.4
179.05580	0.4
181.12369	1.5
185.11816	1.6
187.09831	0.5
189.09242	1.0
189.12952	0.4
190.43352	0.3
191.10760	0.7
191.14429	0.2
197.05916	0.2
201.11298	0.4
203.10777	0.2
203.14426	0.3
207.10274	29.8
208.10579	2.1
209.11838	47.8
210.12177	2.7
213.09264	0.4
221.11778	0.4
223.13368	0.5
225.11324	14.8
226.11681	0.8
227.12903	9.7
228.13219	0.5
231.10176	0.5
235.08237	2.2
235.13373	0.3
243.12286	0.4
245.11758	0.3
247.13365	0.6
249.04057	0.3
249.11363	0.9
253.06590	0.4
253.09256	6.3
257.01117	0.2
263.12885	0.5
265.14462	0.8
299.14935	0.7
300.99802	0.4
355.22809	0.3
359.23712	0.3
361.25330	0.5
363.26947	3.0
364.27307	0.5
373.24396	0.8
374.26007	0.2
375.22824	0.3
375.26990	0.7
377.24664	0.6
377.28809	2.4
378.29056	0.5
379.30069	5.9
380.30447	1.0
381.20740	0.5
381.31781	0.3
385.29050	0.6
387.26907	0.9
389.24045	0.7
389.28647	0.5
391.30084	4.6
392.30365	0.5
393.27762	0.8
393.32156	2.0
394.32294	0.3
399.21759	5.2
399.26901	0.4
400.22131	0.7
401.28595	2.5
402.28943	0.4
403.30731	1.2
405.17618	0.4
405.28076	0.4
407.29590	1.5
409.31149	26.4
410.31433	4.9
411.28619	0.5
411.33392	0.3
417.22772	4.0
417.28043	1.1
418.24017	0.6
419.29544	3.6
420.29810	0.7
421.31140	9.0
422.31461	1.4
423.28931	1.2
424.28809	0.3
425.18076	0.3
425.30676	1.1
426.30646	0.3
427.32144	0.4
435.23853	0.5
435.29160	1.3
437.30704	1.7
438.30960	0.5
439.32263	1.3
441.33875	6.4
442.34296	1.1
443.19254	3.9
444.19406	0.6
445.20914	2.7
446.21146	0.3
453.30106	13.9
454.30511	2.3
455.31412	0.9
457.33325	8.3
458.33521	1.5
461.20270	7.1
462.20511	0.9
463.21976	0.7
466.02621	0.3
467.18967	0.3
473.26318	0.3
473.32657	5.3
474.33017	0.8
485.20401	0.7
485.32816	4.1
486.32932	1.0
491.26309	0.4
491.54449	0.2
499.23148	0.5
499.30676	6.9
500.31195	1.5
501.31851	0.9
502.32016	0.3
503.33780	100.0
504.34103	16.5
517.31439	2.3
518.32068	0.7
519.32355	0.5
541.31573	0.9
569.30151	0.4
609.29285	1.2
617.29651	0.3
625.32428	1.0
627.30286	1.4
635.30853	34.9
636.20667	0.3
636.31195	7.5
653.31873	36.0
654.32245	7.6
661.36017	26.9
662.36292	6.7
671.32837	41.3
672.33142	8.0
1074.09058	0.2
1083.45471	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.6745
Annotation	Unknow
Peak:m/z	Relative Intensity
119.08698	0.2
159.37247	0.0
160.09535	0.0
161.09727	0.0
163.07681	0.1
175.11378	0.0
182.77370	0.0
187.85329	0.0
239.14536	0.0
327.21335	0.0
341.22617	0.0
343.24600	0.0
347.24033	0.0
357.25858	0.1
359.27643	0.0
361.25400	0.0
363.26782	0.1
371.27554	0.1
373.29333	0.0
389.28571	0.0
391.29932	0.1
397.13828	0.1
403.26428	1.7
404.26773	0.2
405.28061	0.1
407.25870	0.3
408.26816	0.0
415.14508	0.1
418.28235	0.1
419.29547	6.0
420.29904	0.8
421.27701	0.0
423.29013	0.6
424.29004	0.0
425.31122	0.0
435.29092	0.1
437.30618	3.9
438.31055	0.5
451.28439	0.2
452.28790	0.0
453.30231	0.3
454.30319	0.0
455.32318	0.0
463.28458	0.1
467.28287	0.1
481.29697	0.7
482.30157	0.1
499.30615	100.0
500.30948	11.5
501.31107	0.1
537.98865	0.0
675.36267	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.6739
Annotation	Unknow
Peak:m/z	Relative Intensity
86.37958	0.0
111.08238	0.0
116.36443	0.0
116.43243	0.0
119.08730	0.1
129.45616	0.0
137.09749	0.2
141.43861	0.0
175.11316	0.1
191.14429	0.1
209.11839	0.4
209.13664	0.0
210.12296	0.0
211.13409	0.2
212.13718	0.0
223.14980	0.0
227.12906	0.1
249.15234	0.0
253.09479	0.0
335.23758	0.2
341.22733	0.0
343.24234	0.0
345.22369	0.0
353.24744	0.1
357.25842	0.1
359.23660	0.0
359.27469	0.1
363.27011	0.1
373.25293	0.1
375.26913	0.1
377.28320	0.1
379.26169	0.0
381.28156	0.1
382.27802	0.0
389.28717	0.2
390.28790	0.0
391.30319	0.3
393.31638	0.1
395.29758	0.0
397.30600	0.1
403.21796	0.0
405.28311	0.0
407.29568	0.3
408.30643	0.0
409.26440	0.0
409.31369	0.3
411.33200	0.0
419.29770	0.0
421.27454	0.4
422.27936	0.0
423.29233	0.1
425.26578	0.1
425.30865	0.1
435.29068	0.2
436.29477	0.1
437.30597	7.5
438.30923	1.3
439.28778	0.0
441.30096	0.4
442.30545	0.0
445.20718	0.1
453.30048	0.3
454.30920	0.1
455.31635	5.8
456.31998	1.0
456.38440	0.0
469.29767	0.2
471.31021	0.2
472.31586	0.1
473.32858	0.1
481.29230	0.0
485.28995	0.0
499.23270	0.0
499.30646	0.7
500.30353	0.1
517.31628	100.0
518.31940	17.8
519.32599	0.1
639.33759	0.0
651.96381	0.0
661.58325	0.0
672.09906	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
50.39858	0.3
55.01881	0.5
55.87449	0.3
58.41048	0.3
58.67102	0.4
62.64356	0.3
70.91983	1.1
73.02953	100.0
74.03289	3.8
91.28712	0.5
93.01604	0.3
99.00899	9.5
99.92617	0.7
100.01224	0.3
105.20358	0.4
105.42137	0.4
116.92882	2.2
117.01955	19.5
117.92909	0.4
118.02282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
71.01367	0.3
71.04993	0.6
71.68586	0.4
71.68910	0.4
72.21169	0.3
73.02952	100.0
74.03281	2.7
76.05925	0.3
80.09251	0.3
94.96979	0.3
99.00892	9.0
99.92593	2.6
100.01193	0.5
100.41360	0.3
116.92882	8.3
117.01955	18.1
117.92879	0.6
118.02299	0.7
129.30669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01118	0.3
59.01376	3.1
59.31882	0.3
60.24200	0.3
71.01382	0.8
71.05023	32.3
71.25152	0.6
72.05357	1.0
73.02948	20.2
73.06597	2.1
74.03274	0.6
74.09296	0.3
77.56720	0.3
81.03449	1.5
95.03673	0.3
97.02954	1.0
99.00890	2.2
99.04534	6.0
99.92593	26.5
100.92602	2.7
102.77489	0.3
106.88712	0.3
115.04028	2.4
116.92873	100.0
117.01949	4.2
117.05585	12.0
117.92882	10.4
118.03005	0.6
118.04090	0.4
118.05955	0.4
127.00641	0.3
132.02919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.7174
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	0.1
85.02977	0.2
87.00882	0.1
89.02444	0.5
89.60617	0.1
95.01416	0.1
97.02963	0.1
97.06591	0.1
101.02455	0.7
110.69431	0.1
113.02464	0.4
116.92882	0.1
119.03500	0.2
125.02466	0.4
137.09781	0.1
143.03493	0.2
144.56236	0.1
149.04788	0.1
149.09697	0.1
150.68393	0.1
161.04564	0.2
179.05649	0.2
235.08257	0.5
253.09361	0.1
268.74768	0.1
277.21744	2.5
278.22156	0.1
287.07739	0.2
303.93417	0.1
305.08801	0.2
323.09732	0.1
339.27029	0.4
377.28369	0.1
391.29987	0.2
395.33066	0.1
397.13513	7.6
398.13840	0.4
405.32059	0.1
407.33209	3.6
408.33356	0.5
415.14560	2.2
416.14706	0.1
423.32870	0.1
425.34402	0.1
427.35910	0.1
459.34772	0.1
469.29663	0.1
471.34796	100.0
472.35132	10.8
612.27740	0.1
675.36096	2.1
676.36719	0.3
899.75446	0.1
980.66199	0.1
1147.72534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.6955
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03985	0.3
93.03471	0.1
116.02685	0.1
117.03480	20.5
118.03819	0.6
119.05038	4.3
120.05381	0.1
121.02995	0.3
123.04539	0.1
133.03023	0.1
145.02971	85.6
146.03302	3.3
146.04474	0.2
147.04521	0.2
162.03198	0.2
163.04022	4.1
164.04312	0.1
253.09157	0.1
277.21713	0.9
300.99765	0.1
393.31354	0.1
409.27277	0.1
425.30579	0.3
437.30713	0.2
439.32144	0.3
449.30936	0.1
455.31610	0.5
467.31543	0.5
469.33258	2.8
470.33679	0.3
487.34372	0.4
513.32111	0.7
514.32635	0.1
571.37933	0.1
589.39130	0.2
590.39130	0.1
633.38049	100.0
634.38385	17.2
635.38623	0.2
816.85168	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	1141.5821
Annotation	Unknow
Peak:m/z	Relative Intensity
81.16798	0.1
83.01391	0.1
83.05041	0.3
85.02981	0.3
85.06607	0.1
87.00885	0.1
89.02472	0.6
91.26031	0.1
94.46217	0.1
95.01369	0.1
101.02440	0.8
108.02196	0.1
113.02488	0.5
119.03482	0.2
119.08716	0.1
120.99691	0.3
123.00890	0.1
123.21543	0.1
125.02465	0.3
137.02457	0.2
149.02519	0.1
150.03224	0.2
151.04086	0.1
161.02321	0.1
163.03976	0.1
165.01929	0.2
165.05565	0.1
166.02675	0.2
169.01434	0.3
177.01920	0.2
178.96686	0.1
180.04292	0.1
181.05026	0.1
195.06647	0.3
255.67769	0.1
300.99921	0.2
377.28571	0.9
379.30063	0.1
393.31708	0.5
395.29398	0.5
411.32645	0.4
419.29431	1.0
420.29999	0.2
421.27274	0.3
427.81143	0.1
437.30600	7.2
438.30951	1.1
453.29709	0.2
455.31659	5.9
456.31964	1.0
457.29831	0.1
466.02628	0.1
471.31198	0.1
473.32632	1.3
474.33191	0.2
499.30630	4.3
500.31061	0.6
513.31970	0.1
517.31671	26.5
518.32007	4.7
559.32721	1.9
560.33282	0.5
677.35413	0.2
678.36151	0.4
679.37189	100.0
680.37506	22.7
681.37823	0.2
697.38342	0.3
1141.42725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01640	1.5
55.01881	16.4
65.29292	1.0
67.01891	18.7
68.54239	0.9
70.87641	1.9
70.88018	2.0
71.01360	2.6
78.95908	100.0
79.95758	1.1
83.01395	46.7
84.01714	1.5
88.10613	0.9
110.97581	4.1
110.98545	3.4
111.00896	51.8
112.01241	2.3
113.48312	0.9
121.47892	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	113.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68991	2.4
55.01865	10.2
57.03446	29.6
68.78897	2.5
68.99574	80.2
69.03452	10.2
71.01376	6.4
71.44661	7.1
79.63554	2.5
84.02160	15.3
85.02956	100.0
86.03306	4.9
89.58600	2.7
96.35693	2.7
113.02449	43.7
113.06010	3.4
114.05640	14.1
120.89624	2.6
133.44247	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	111.009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
58.13570	0.3
67.01894	3.3
69.95586	1.6
78.76655	0.3
78.95912	100.0
83.01407	1.5
110.98554	3.6
111.00896	8.6
112.01259	0.4
112.63008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.9
67.01894	40.9
70.02278	10.1
70.02680	3.3
71.01361	1.9
71.36329	1.8
78.95911	53.6
83.01397	30.3
98.20514	2.5
107.33590	2.2
110.97586	7.2
110.98517	3.0
111.00896	100.0
112.01231	4.9
115.42522	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	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
52.57829	1.0
53.19867	1.0
55.01875	8.2
67.01896	19.9
69.63842	7.6
69.64248	1.5
71.01423	1.4
72.55765	1.0
78.95911	100.0
81.21012	1.2
83.00893	1.5
83.01397	23.7
84.36930	1.2
92.50972	1.1
110.97587	3.3
110.98559	4.5
111.00896	43.3
112.01215	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	1095.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03439	0.6
83.04999	0.6
86.07301	0.5
93.03490	1.4
95.01408	4.5
97.02953	1.8
98.19862	1.0
101.02443	0.7
101.03992	0.6
105.01977	0.8
105.03519	0.9
109.02958	1.7
111.00896	1.2
111.04574	0.7
115.05498	0.6
117.03473	1.3
119.05047	1.8
121.02946	1.7
123.00903	7.8
123.04527	1.0
124.01709	1.5
125.02466	9.9
129.03409	0.7
130.04221	0.6
131.05026	1.7
132.02136	0.8
133.02980	2.1
135.00900	0.7
135.04541	1.4
137.02463	1.6
139.00377	0.6
139.04036	0.6
143.04979	1.0
145.02988	5.3
145.06664	0.5
146.03807	0.6
147.00931	0.9
147.04552	3.6
149.02431	2.5
149.06058	0.5
151.00383	0.6
151.04022	1.2
154.92474	0.5
157.02954	2.3
158.03748	1.3
159.04544	5.9
161.02457	3.6
163.00409	1.2
163.04033	3.0
164.01164	1.8
165.01947	1.8
167.03542	0.8
167.04993	1.2
169.01408	1.8
169.02864	0.8
171.00914	0.6
171.04527	2.1
172.01657	0.8
173.02443	4.8
174.03186	1.3
175.00418	1.0
175.04033	6.9
176.01109	1.0
177.01961	6.0
177.05557	1.2
178.02658	0.6
179.03519	0.8
183.04567	1.4
185.02458	6.7
186.03061	1.0
187.00400	0.8
187.04039	2.8
188.01143	0.8
189.01944	3.0
189.05640	0.6
190.02795	2.8
190.99890	0.8
191.03481	3.5
193.01408	2.7
195.04523	1.2
197.02451	1.0
197.04372	0.6
197.06075	1.1
198.03180	1.5
199.00415	0.8
199.04041	2.4
200.01187	1.0
200.05014	0.7
201.01952	7.7
201.05582	0.7
202.02640	1.6
203.03513	12.6
203.05261	1.0
204.04236	0.7
205.01425	1.5
205.04985	0.7
209.06099	1.1
211.04099	3.7
212.04758	0.6
213.01895	3.1
214.02669	2.3
214.99931	0.6
215.03458	2.8
216.00551	1.2
216.04166	1.2
217.01396	3.4
217.05008	0.9
218.02094	1.1
219.02861	1.3
221.00900	1.0
221.04419	1.2
221.06297	0.9
223.04053	1.7
223.07394	0.5
224.04663	0.7
225.01962	1.5
225.05569	1.3
226.02753	1.2
226.99959	1.2
227.03546	4.9
228.00613	1.7
228.04187	0.8
229.01411	13.5
229.04858	1.2
230.02066	3.1
230.99472	0.9
231.02979	17.4
232.03391	1.5
233.06178	1.1
235.04118	1.5
235.07648	0.7
237.02023	1.6
237.05576	1.4
238.02785	1.7
239.03542	3.1
240.04048	1.0
241.01433	2.4
241.05023	1.3
242.02232	1.9
242.99290	0.8
243.02968	3.2
244.00061	1.6
244.03526	1.1
245.00829	6.9
245.04413	1.0
246.01541	1.0
247.02444	1.9
247.07729	0.8
248.03017	0.9
249.03961	21.8
250.04462	1.8
251.03511	2.7
252.04178	1.5
253.01382	2.2
253.05049	2.3
254.02124	1.9
254.99374	1.2
255.02966	5.4
256.00089	0.8
256.03705	2.6
257.00919	8.5
257.04431	1.9
258.01654	3.4
259.02393	3.5
261.05798	0.8
262.06284	0.6
263.03418	1.5
263.07065	1.3
264.04190	1.3
265.01483	0.8
265.05002	2.3
266.02225	2.1
267.02948	3.9
268.03699	1.2
269.00925	2.9
269.04532	1.9
270.01566	1.6
270.99088	0.7
271.02441	3.7
271.99667	0.7
272.03146	1.1
273.00400	4.3
273.03937	1.7
274.01154	7.9
275.01895	15.3
275.06857	1.1
276.02084	1.5
277.05087	2.3
279.02985	3.6
279.06409	1.1
280.03760	2.0
281.00940	2.9
281.04483	1.7
282.01630	1.6
283.02402	5.7
283.99652	5.4
284.03177	1.5
285.00360	5.2
285.04120	1.9
286.01089	1.6
287.01901	7.0
288.02570	2.1
289.04968	1.7
290.02823	0.7
290.05792	1.2
291.03207	1.1
291.06705	1.5
292.03864	0.9
293.01166	0.9
293.04514	2.8
294.01761	1.2
294.05188	0.8
295.02512	4.0
295.05652	0.9
296.03278	2.1
297.00418	2.3
297.04105	2.0
298.01205	3.5
298.04333	0.8
298.98477	1.2
299.01956	4.4
299.05243	0.8
299.99210	10.2
300.02731	1.5
300.99911	100.0
302.00278	8.6
303.01767	1.8
303.06320	1.0
305.04379	2.4
306.01779	1.3
306.05188	1.1
307.02524	3.6
307.06067	1.7
308.03354	1.7
309.00497	3.1
309.04077	3.0
310.01062	1.6
310.04343	0.8
311.01953	4.2
311.05179	0.9
312.02811	2.4
312.99957	13.3
313.03586	1.9
314.00623	7.7
315.01376	5.2
315.06686	0.9
317.04480	1.9
317.08115	0.6
318.05188	1.0
319.02426	1.9
319.06030	1.7
320.03180	1.1
321.00388	1.4
321.04016	2.5
322.01147	3.7
322.04715	1.3
323.01941	5.0
323.05695	2.5
323.99219	0.9
324.02646	2.8
324.99869	5.7
325.03653	2.6
326.00778	2.9
326.04178	0.9
327.01456	17.6
327.05386	1.1
328.02185	1.9
328.99368	1.1
329.03281	5.3
329.08295	0.7
331.02255	0.9
331.06030	1.2
332.03207	1.2
333.00412	1.3
333.04056	4.0
334.01172	1.2
334.04727	1.3
335.01941	4.4
335.05566	1.7
336.02734	1.7
337.00040	1.1
337.03430	3.5
338.00635	1.3
338.04260	1.2
339.01434	3.0
339.05164	1.4
339.98578	1.7
340.02341	2.3
340.99344	7.7
341.03210	2.8
341.99677	1.2
343.01205	1.7
343.05930	0.7
344.02728	0.7
345.04056	2.3
347.01968	1.6
347.05554	1.9
348.02710	1.7
348.06464	0.8
348.99820	1.9
349.03571	3.2
349.07281	1.0
350.00476	1.2
350.04395	1.5
351.01431	5.7
351.05188	2.2
352.02188	2.0
352.99323	5.8
353.03171	4.6
354.03659	0.9
355.01038	2.4
355.05069	1.6
357.03073	1.6
358.03430	0.8
359.01407	0.8
359.05606	1.2
360.02502	1.1
360.99765	0.8
361.03525	3.1
362.00531	1.3
362.04407	1.4
363.01382	2.1
363.05264	3.4
364.02271	1.9
365.03094	3.3
366.03799	1.1
367.00949	5.2
367.04825	1.8
368.01700	1.9
368.98602	0.7
369.02618	2.1
371.04910	0.9
372.02328	1.1
373.03137	2.8
374.04114	1.0
375.00781	0.9
375.05453	2.8
376.02301	1.9
376.99179	0.6
377.03052	4.0
377.06778	0.9
378.03915	1.2
379.00735	9.7
379.04831	2.3
380.01437	3.7
380.05719	0.6
381.02255	5.7
381.06696	0.8
382.03143	0.8
383.00137	1.2
383.04337	1.9
385.02176	2.8
387.01230	1.2
388.02264	1.9
389.03146	4.0
390.03751	1.9
391.04770	3.5
392.05646	1.0
393.02249	3.7
394.03207	1.5
395.00412	1.6
395.04443	1.2
397.01785	3.8
399.04141	1.2
401.01889	4.2
403.00418	1.3
403.04681	1.8
404.01300	0.7
404.98727	2.4
405.03067	2.8
405.99496	2.3
406.03812	1.3
406.99509	1.0
407.04355	4.0
408.00247	0.7
408.04929	1.0
409.02109	2.1
411.03708	3.9
413.02625	0.9
414.04019	0.9
415.00601	1.4
417.02121	4.0
418.03101	1.8
419.04254	4.3
420.05045	1.1
421.01382	1.1
421.06195	1.1
423.04080	1.4
427.03094	1.0
428.02670	0.6
429.04840	3.3
430.03622	0.9
431.04507	1.1
433.01407	3.9
434.02087	0.7
435.03339	4.8
436.03732	1.1
437.05432	1.7
441.02313	0.7
443.00076	1.1
445.01529	3.7
446.02560	0.9
447.03427	3.6
448.04242	0.6
449.05106	1.8
451.03030	2.3
453.04691	1.6
455.02524	15.9
456.02829	1.6
457.02661	1.7
459.03629	1.0
461.01718	2.1
463.02588	3.7
465.04480	2.3
467.06195	1.3
473.01331	1.2
475.02661	2.6
477.04517	1.7
479.02060	0.9
483.05420	0.7
487.03568	0.9
489.00970	1.5
491.01581	0.6
491.06577	0.8
493.04236	2.3
495.05771	1.6
497.07602	0.8
501.01004	0.8
503.07089	0.7
505.04559	1.1
507.05942	1.1
509.03717	0.6
511.05121	1.8
512.05487	1.0
513.06769	1.2
519.05682	1.0
521.07019	1.0
523.05298	1.9
525.06500	1.6
527.08301	1.6
529.04083	0.8
535.05408	2.3
537.06708	1.1
539.05035	2.5
541.05621	1.5
545.05457	4.5
546.06024	0.7
547.06116	2.2
553.05884	3.5
555.07983	1.3
557.09430	1.6
565.06604	2.1
567.08246	1.3
569.05359	3.1
571.07819	2.3
577.06519	0.8
579.06445	1.2
580.04907	0.8
581.06073	1.8
583.07275	6.1
585.09308	1.2
591.03967	0.8
593.08557	0.6
595.07440	1.6
597.09229	2.9
598.08887	1.0
599.07349	2.5
600.07660	1.1
601.08392	5.4
604.72668	0.6
605.06213	0.9
609.04974	4.8
610.06250	0.9
611.07495	2.0
613.08569	2.4
614.09253	1.2
615.10272	6.9
616.10181	1.1
623.07294	1.2
625.09607	1.0
627.07184	2.0
629.07843	6.8
630.09174	0.8
631.09668	1.5
637.08368	0.8
639.06403	1.2
641.07892	6.2
642.08020	1.0
643.09863	2.2
645.10681	1.8
651.09998	0.7
653.08093	0.7
655.09552	2.4
657.07611	1.2
659.08917	21.7
660.09192	3.5
661.10583	2.8
669.11060	0.9
671.09198	1.9
673.10413	3.4
674.10852	0.7
687.12170	3.4
688.12201	0.8
689.10461	4.9
699.08502	3.9
703.07990	12.7
704.08459	1.8
705.13031	5.6
706.14319	1.3
713.10266	2.9
717.09503	4.0
731.11121	7.4
732.11713	1.8
733.08862	0.9
749.12384	63.9
750.12726	12.4
775.10614	0.8
793.11298	68.9
794.11639	16.9
961.11859	1.0
1001.10760	0.7
1005.09216	1.7
1006.09039	1.0
1051.13574	2.5
1052.13574	0.9
1095.12109	14.1
1096.11780	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	1073.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00888	0.3
83.01395	2.2
85.02963	1.7
87.00893	0.4
89.02439	0.4
90.20547	0.1
91.01903	0.3
93.03458	1.1
95.01379	0.7
99.00900	0.6
99.04514	0.1
101.02467	0.7
103.00379	0.4
107.01403	7.5
108.02216	0.2
108.99339	0.1
109.02965	3.3
111.00893	0.3
113.02469	1.8
114.16782	0.1
117.01987	0.2
119.01402	0.6
119.03568	0.2
119.04957	0.1
121.02965	6.4
122.03352	0.2
123.00912	0.2
125.02454	0.8
127.04028	0.1
129.01953	0.2
135.00906	0.6
137.02461	0.1
139.04027	0.4
143.03494	0.5
145.03044	0.1
145.05103	0.3
146.03690	0.2
147.00845	0.2
147.04526	0.2
148.01711	0.3
149.02483	1.1
151.00386	31.2
152.00719	1.2
153.01982	0.2
157.06580	0.2
158.03848	0.1
159.04543	0.8
161.02493	0.3
161.04579	0.3
161.06012	0.2
163.00395	5.0
163.04037	0.4
163.06128	1.6
164.01108	0.6
165.01933	0.2
167.05040	0.4
169.01442	2.5
171.04520	0.4
173.06180	0.2
174.03198	0.1
175.02461	0.8
175.04041	0.5
178.99869	15.3
180.00279	0.9
183.04497	0.7
185.06093	0.5
187.03995	0.9
189.01991	0.2
189.05557	0.2
190.99884	0.5
192.00668	0.3
193.01389	0.5
195.04594	0.2
196.00073	0.2
199.03940	0.3
201.01921	0.2
201.05620	1.1
203.03531	0.5
205.05090	0.3
205.07091	0.2
209.11858	0.4
211.04018	2.0
211.98894	0.1
212.04599	0.4
213.01965	0.3
213.05475	0.2
214.02715	0.2
215.03424	0.3
225.14969	0.4
227.03511	1.9
227.12863	1.8
228.04056	0.4
229.05032	2.0
229.07143	0.3
230.02168	0.2
230.05284	0.2
231.03023	0.3
239.03377	0.8
240.04149	0.3
243.02994	0.6
245.04543	3.6
245.06969	0.3
246.04942	0.3
255.02979	5.8
256.03543	0.9
257.04495	0.6
266.02216	0.5
271.02484	1.1
272.02899	0.2
273.04025	2.6
274.04483	0.3
283.02475	2.4
284.03030	0.5
299.02066	0.8
300.02609	0.9
301.03525	100.0
302.03848	9.1
307.10278	0.3
325.11456	0.9
359.13358	0.1
477.06717	83.3
478.07025	11.4
484.23877	0.1
496.16357	0.1
595.26068	19.5
596.26447	3.6
597.27319	0.2
965.93854	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	1061.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00883	0.4
83.01392	2.7
83.01861	0.2
85.02956	1.9
87.00896	0.3
89.02457	0.8
91.01910	0.4
93.03465	1.0
95.01405	0.7
99.00887	0.6
101.02459	0.8
103.00375	0.6
107.01402	8.3
108.02209	0.4
109.02966	3.4
110.03275	0.2
111.00898	0.2
113.02455	1.6
115.00388	0.1
119.01417	0.6
119.03513	0.3
120.02342	0.1
121.02965	7.4
122.03302	0.2
125.02467	0.5
132.65421	0.1
133.05086	0.3
135.00885	0.6
137.02431	0.3
139.03983	0.6
145.02957	0.1
146.03711	0.2
147.00880	0.2
148.01718	0.3
148.19113	0.1
149.02448	1.1
151.00385	31.4
151.06117	0.8
152.00687	1.1
153.01918	0.2
155.05069	0.1
157.06541	0.2
159.04530	0.8
160.04817	0.1
161.02457	0.3
161.06058	0.3
163.00392	4.6
163.04068	0.4
164.01231	0.7
165.01906	0.4
165.12863	0.1
167.05055	0.3
169.01447	2.0
171.04567	0.3
173.06078	0.5
175.02486	0.8
175.04041	0.4
175.06155	0.2
178.99872	16.0
179.05666	0.3
180.00218	0.6
183.04475	0.8
185.02603	0.2
185.06059	0.5
187.04041	0.8
189.05600	0.2
190.99931	0.3
192.00693	0.3
193.01463	0.8
195.04546	0.3
199.04010	0.4
201.05565	1.3
203.03522	0.5
205.05052	0.2
209.11800	0.2
210.03140	0.2
211.04008	2.2
212.04620	0.3
213.01897	0.3
213.05495	0.2
214.02690	0.1
215.03465	0.3
216.04193	0.2
217.05063	0.3
225.15012	0.4
227.03488	2.1
227.12891	1.6
228.04155	0.5
228.13113	0.1
229.05051	2.2
231.02902	0.1
239.03510	0.9
240.04112	0.4
243.03041	0.6
245.04524	3.7
246.04900	0.3
255.02980	5.4
256.03546	0.8
257.04532	0.7
266.02200	0.5
271.02417	1.1
272.02896	0.3
273.04013	2.6
274.04306	0.3
283.02451	2.4
284.03064	0.6
295.10342	0.2
299.01965	0.3
300.02719	0.8
301.03525	100.0
302.03857	8.8
313.11417	0.3
435.09421	0.1
477.06720	83.2
478.07053	10.4
501.84128	0.1
552.55103	0.1
565.25085	0.2
583.26093	18.3
584.26416	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	1055.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02950	0.2
76.91854	0.1
79.01888	0.5
83.01405	0.4
85.02956	0.6
87.00882	0.7
89.02458	0.1
93.03497	0.1
94.09747	0.1
95.01395	1.2
97.02959	0.5
99.00890	0.2
101.02470	0.7
107.01408	3.9
108.00539	0.1
108.02187	0.5
109.02953	0.3
110.00130	0.3
111.00900	1.8
113.02467	1.0
117.03490	0.1
121.02982	0.5
122.03741	0.3
123.00901	7.2
123.04542	0.8
124.01733	0.8
124.59084	0.1
125.02466	20.8
126.02814	0.5
127.00394	0.7
133.02989	0.1
135.04559	0.3
136.01700	0.1
136.98820	1.2
137.02486	0.7
138.03233	0.2
139.00391	2.7
139.04008	0.7
140.01190	2.9
141.01962	1.1
145.02953	0.4
147.04536	0.2
149.02460	1.8
150.03249	9.2
151.00392	5.3
151.04034	1.5
153.01926	0.4
154.99916	0.3
157.34828	0.1
161.02455	0.5
161.04730	0.1
162.03246	0.7
163.04034	0.8
164.04819	0.9
165.01926	0.3
165.05591	5.4
166.02710	0.1
166.05902	0.1
166.99800	0.7
167.03546	0.4
168.00671	5.2
169.01443	31.9
170.01768	1.0
175.03978	0.2
177.01985	0.2
177.05568	0.2
179.03462	0.7
180.04268	0.3
181.01450	0.2
181.05080	0.3
182.02257	0.3
183.03003	3.9
191.03505	0.1
193.05029	0.2
194.05757	0.1
195.06599	1.0
196.06941	0.1
203.03592	0.2
207.02966	0.2
210.01709	0.8
211.02483	2.6
223.02460	0.6
225.01822	0.2
225.04057	3.9
226.04364	0.2
231.02963	0.2
241.01457	0.1
241.03529	0.8
248.03331	0.1
249.03981	0.2
253.03539	0.7
255.05087	0.3
271.04608	2.1
272.04758	0.1
275.01715	0.2
285.06165	5.1
286.06531	0.3
295.04678	0.1
297.06177	1.7
300.99850	0.6
312.04871	0.2
313.05655	15.3
314.06009	1.0
327.07178	1.7
345.08142	0.2
373.07846	0.9
385.07782	2.7
385.12204	0.1
386.08447	0.1
400.53726	0.1
453.10733	0.2
464.09409	0.3
479.11951	24.0
480.12350	2.3
483.07843	0.3
491.11893	0.5
509.13016	3.8
510.13306	0.3
526.12836	0.2
527.14008	100.0
528.14398	9.8
557.15063	0.2
625.13953	0.1
755.41876	0.1
977.45093	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	105.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.9
59.01382	16.0
59.61792	0.6
62.24611	0.7
69.60283	6.1
72.99313	54.9
73.99636	1.0
75.00881	30.3
75.80411	0.6
76.01235	0.6
94.93221	0.7
98.17109	0.8
98.19792	1.3
103.00373	0.6
105.01949	100.0
106.02283	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	105.0195
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
53.35530	0.9
59.01388	15.2
59.91467	1.4
64.01917	3.1
65.01454	2.2
66.25843	1.2
70.92802	3.9
72.99317	55.6
73.99680	1.8
75.00883	30.9
85.11713	1.1
86.04588	1.0
87.92530	1.4
94.90756	1.0
95.74248	1.0
104.92116	2.0
104.92846	4.6
105.01958	100.0
105.04591	2.6
106.02283	2.7
106.04120	18.2
123.94704	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	1047.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99298	0.2
73.02954	2.2
75.00866	0.1
81.03456	0.2
83.01394	1.1
83.05044	0.2
85.02962	2.7
87.00892	0.5
87.04507	0.5
89.02458	2.0
95.01386	0.6
97.02968	0.3
98.20706	0.2
99.00898	0.8
99.04529	1.0
101.02458	5.5
101.69423	0.1
103.04026	0.3
105.05595	2.3
108.02182	0.3
109.06603	0.2
111.00880	0.7
113.02468	3.0
114.02784	0.2
117.05614	0.2
119.03493	0.7
120.99670	0.3
121.02997	0.1
121.06612	0.2
122.03766	0.2
123.00893	0.3
123.04527	0.3
124.01654	0.2
125.02461	1.2
131.03514	0.2
134.03769	1.2
135.04541	0.3
137.02489	0.4
139.00529	0.1
143.03531	0.6
145.03003	0.2
146.03772	1.9
147.04538	0.9
147.06619	0.8
149.06087	1.3
150.03239	0.2
151.00368	0.3
151.03972	0.2
152.01167	0.2
159.03011	0.5
161.04565	2.9
161.06070	0.7
162.03181	0.2
163.04030	0.3
163.06168	0.8
163.11253	0.2
164.04790	1.3
165.05545	0.3
165.12813	0.7
167.03520	0.3
167.07126	0.9
167.10838	0.3
169.01451	0.7
174.91962	0.1
179.05696	0.3
179.07133	2.9
180.07477	0.3
189.12822	0.5
207.13914	1.1
209.11833	3.2
210.12131	0.2
211.02492	0.5
225.11446	0.2
225.14963	3.1
226.15221	0.2
227.12895	11.9
228.13222	0.9
231.08672	0.2
249.09804	1.9
251.12907	0.4
267.10840	5.7
268.11179	0.3
269.13950	0.8
271.04565	0.7
283.05154	0.1
285.04147	0.6
287.14993	0.6
300.99951	0.3
309.11960	0.6
311.11429	0.4
313.12866	2.0
314.13223	0.2
357.13467	0.2
361.16833	0.2
367.14044	0.5
458.15768	0.1
461.07428	0.2
461.18036	0.4
473.18277	0.3
477.07785	0.2
491.19138	1.6
492.19492	0.2
493.23010	0.2
501.23407	0.3
509.20929	2.3
510.20731	0.4
519.24390	1.5
520.24384	0.2
523.21857	0.6
525.20068	0.2
537.25482	100.0
538.25812	15.5
585.25354	0.2
599.10730	0.2
639.66980	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	1035.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
71.97020	0.2
81.03452	0.4
92.05228	0.2
93.03474	6.4
95.01414	1.0
95.05074	0.6
97.02985	0.4
105.03513	0.5
107.05090	0.5
108.02229	0.9
109.02975	3.6
121.02984	7.7
122.03764	16.6
123.00921	1.8
123.04534	1.1
124.01677	0.8
125.02461	1.2
131.05061	0.5
132.02188	0.5
133.02994	2.4
134.03763	1.2
135.04559	1.1
136.01680	7.4
137.02475	12.9
138.03258	2.0
139.00414	0.5
139.04015	0.9
145.02991	1.0
146.03780	1.4
146.90208	0.3
147.04524	1.2
148.01678	0.7
149.02467	30.5
149.06110	1.4
150.03249	100.0
151.00397	6.9
151.04042	12.0
152.01222	1.4
152.04750	1.4
153.01929	1.1
153.05659	0.7
159.04582	0.5
160.01680	0.5
161.02498	1.3
161.06146	0.7
162.03249	2.1
163.04080	1.7
164.01141	0.4
164.04819	6.8
165.01956	29.7
165.05589	89.8
166.02740	17.8
166.05875	4.1
167.03465	2.5
168.04283	1.0
171.10263	0.9
173.02457	0.4
174.03203	0.3
175.04034	2.0
176.01164	0.8
176.04778	1.0
177.01962	2.3
177.05602	3.9
178.02736	0.9
179.03528	6.1
179.07129	5.5
180.04305	20.5
181.05081	25.5
182.05389	0.9
184.03743	1.0
187.04039	1.2
188.04832	0.4
189.05618	0.3
190.02716	0.5
190.06342	0.8
191.03615	1.3
191.07018	0.4
192.04323	1.4
193.05023	2.0
194.05856	1.8
194.23100	0.3
195.06641	79.2
196.06993	4.2
203.03488	0.4
204.04245	0.8
205.05070	5.0
205.08676	0.5
206.05659	0.6
207.06659	2.3
207.10280	0.3
209.04727	0.4
209.08205	2.0
209.11795	1.5
210.05324	2.8
211.13533	0.5
219.06654	1.5
220.07399	2.4
221.08144	0.6
223.06143	0.4
225.07684	14.7
225.11185	0.6
226.08000	1.2
253.04947	0.3
253.09181	0.4
266.05902	0.4
267.06528	0.4
275.01895	0.4
282.05356	0.6
284.06760	0.5
285.04263	0.3
285.07935	0.3
296.06842	0.3
297.07834	0.6
299.09094	0.5
300.09915	0.4
300.99713	0.5
313.07224	0.3
314.07709	0.3
315.08746	0.5
325.07224	0.4
327.08786	0.5
327.21634	1.7
328.09402	0.5
328.21957	0.3
329.10428	1.4
339.08698	0.7
341.10062	0.4
342.11182	0.4
343.11917	1.5
354.10751	0.4
357.09729	0.7
357.13501	0.6
358.10489	0.5
359.11194	1.0
371.11313	0.4
372.11987	0.9
373.12958	10.8
374.13162	1.1
385.12924	0.4
386.13849	0.5
387.09818	2.3
387.14920	5.2
388.10928	0.6
388.15213	0.5
401.12567	0.4
402.13086	2.2
403.13977	5.8
404.14163	0.7
415.14148	0.4
416.14883	1.7
417.15573	20.1
418.16043	2.2
421.09430	0.6
421.15027	10.8
422.15463	1.9
451.16235	0.6
457.14764	0.3
471.16470	0.4
489.17194	0.3
503.33649	0.5
535.15369	1.8
536.16193	0.4
550.18378	0.7
551.18878	0.6
564.20026	0.9
565.20886	23.6
566.21161	4.0
577.20770	0.6
581.19653	0.4
583.21552	0.6
594.20941	0.4
595.21912	13.3
596.22156	2.9
599.21582	1.3
613.23090	15.3
614.23315	3.5
619.22162	0.4
625.22485	0.6
643.24164	2.3
644.24011	0.7
649.23248	0.4
728.25519	0.4
743.26978	3.5
744.27350	1.0
755.27405	0.4
773.28381	3.2
774.29089	0.4
791.29590	4.5
792.29700	1.3
803.29041	0.9
821.30872	2.8
822.30280	0.5
839.31653	4.8
840.30817	1.5
939.34058	0.8
969.35529	1.6
970.35083	0.4
987.36676	1.4
988.36908	0.7
1017.36365	0.4
1035.38354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	0.4
73.02581	0.2
73.02954	2.3
76.92596	0.1
81.03468	0.3
83.01392	1.2
83.05040	0.3
85.02961	2.7
87.00880	0.9
87.04526	1.7
89.02451	3.8
93.03423	0.1
95.01380	0.4
97.02975	0.3
97.06594	0.2
98.20637	0.3
99.00896	0.4
99.04526	1.0
101.02457	5.3
102.02733	0.1
103.04021	0.3
107.01390	0.5
108.02200	0.2
109.02979	0.4
109.06580	0.1
111.00912	0.3
111.04510	0.2
113.02460	2.9
115.73746	0.1
117.05601	2.2
119.03516	1.5
120.99650	0.1
121.02964	0.5
121.06577	0.2
123.00899	0.2
123.04590	0.1
124.01729	0.1
125.02467	1.0
129.05586	0.5
131.03532	0.2
135.00848	0.1
135.06653	4.9
136.06987	0.2
137.02411	0.1
139.03986	0.2
143.03526	0.8
147.06683	0.1
149.02403	0.1
149.04579	0.1
149.08304	0.1
151.00380	1.4
155.03484	0.1
159.03017	0.2
159.06627	0.1
161.04582	1.5
163.00398	0.2
164.01106	0.1
165.12839	0.7
167.03500	0.1
167.10771	0.3
168.00656	0.1
169.01439	0.9
177.07692	0.6
178.99840	0.7
179.05638	0.9
187.06033	0.1
189.12868	0.4
193.01408	0.1
195.06670	0.1
201.07658	0.1
207.03252	0.1
207.13882	1.0
209.11842	2.6
210.12271	0.2
211.02454	0.3
225.14984	2.5
226.02615	0.2
226.15347	0.2
227.03439	0.3
227.12886	11.6
228.13229	0.9
229.69998	0.2
243.02942	1.1
245.04578	0.1
251.12859	0.3
254.02078	0.2
255.02960	2.8
256.03424	0.3
269.13913	0.6
271.02423	5.7
272.02737	0.7
273.03775	0.1
275.01773	0.2
279.10880	1.8
280.11203	0.1
283.02365	0.2
283.05176	0.2
285.03802	0.1
287.15005	1.0
297.11899	4.9
298.12216	0.3
299.02020	0.2
300.02744	8.6
300.99936	0.5
301.03427	4.9
302.03787	0.4
339.12936	0.5
433.04175	0.2
463.08725	5.5
464.09088	0.9
465.09579	0.2
477.06689	0.4
537.19641	0.7
539.20825	0.3
549.25476	1.5
550.25909	0.2
567.26624	100.0
568.26965	17.0
579.13971	0.2
595.26514	0.2
597.27332	0.3
885.59125	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	1031.327
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99324	0.3
73.02957	0.2
75.00884	0.3
81.48266	0.1
83.00903	0.1
83.01392	2.3
85.02956	1.8
87.00892	0.4
89.02469	0.3
91.01902	0.4
93.03461	1.1
95.01379	0.6
99.00909	0.6
101.02458	0.6
103.00388	0.4
107.01401	7.3
108.01675	0.2
108.02284	0.2
108.53324	0.1
108.99310	0.1
109.02966	3.3
110.03273	0.1
111.00863	0.2
113.02467	1.6
115.00391	0.2
117.01987	0.2
119.01405	0.6
121.02966	7.1
121.05055	0.3
122.03325	0.2
123.00885	0.2
124.01675	0.1
125.02429	0.4
135.00922	0.5
135.11781	0.1
137.02467	0.2
139.03990	0.5
143.05026	0.2
145.02937	0.1
146.03764	0.1
147.00969	0.2
147.04558	0.2
147.73878	0.1
148.01695	0.2
149.02441	1.2
149.19856	0.1
151.00386	30.2
152.00691	1.3
153.01955	0.2
156.57803	0.1
157.06609	0.2
159.04533	0.6
161.02451	0.4
161.04643	0.2
161.06007	0.2
163.00388	4.3
163.04048	0.4
163.06174	0.1
164.01180	0.6
165.01898	0.2
167.03630	0.1
167.05028	0.3
169.01443	2.1
171.04520	0.2
173.02423	0.1
173.06088	0.3
174.03278	0.1
175.02489	0.8
175.04015	0.5
178.99872	14.5
180.00212	0.7
182.03592	0.1
183.04556	0.6
185.02473	0.1
185.06128	0.5
187.04028	1.0
188.04419	0.1
189.01871	0.2
189.05566	0.2
190.99944	0.5
191.03453	0.1
192.00671	0.3
193.01428	0.6
195.04597	0.2
196.00177	0.2
199.04022	0.5
201.05560	1.1
203.03568	0.5
205.05048	0.2
209.11853	0.2
210.03209	0.1
211.04010	2.0
212.04584	0.4
213.01912	0.3
213.05484	0.2
214.02744	0.2
215.03575	0.4
216.04280	0.2
217.04970	0.2
225.15073	0.1
226.02733	0.1
227.03493	2.0
227.12880	0.7
228.04271	0.4
229.05040	1.7
230.02290	0.1
230.05431	0.2
231.03062	0.2
239.03487	0.7
240.04166	0.3
243.03001	0.5
245.04536	3.3
246.04854	0.3
255.02966	5.1
256.03595	0.8
257.04504	0.6
265.09290	0.1
266.02124	0.5
271.02444	1.3
272.03140	0.5
273.04007	2.7
274.04489	0.3
283.02454	2.8
283.10400	0.3
284.03116	0.3
299.01956	1.1
300.02628	0.8
301.03525	100.0
302.03867	9.9
302.07465	0.1
303.04199	0.3
357.12869	0.1
401.73810	0.1
477.06714	79.6
478.07050	11.1
479.07385	0.3
553.25006	5.8
554.25330	0.9
595.25769	0.1
763.12067	0.1
788.01563	0.1
999.36987	0.1
1031.40161	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	1015.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	36.1
71.15833	1.4
72.99313	3.7
73.02956	2.8
74.66223	0.7
80.02673	1.0
81.03464	3.2
83.01392	6.3
83.05032	2.9
84.02144	1.2
85.02962	10.6
87.00875	8.4
89.01899	1.3
89.02454	23.8
89.02983	1.4
93.03475	1.1
95.01416	4.1
95.05037	2.6
96.96033	1.3
97.02969	10.4
97.06606	6.0
99.00892	2.3
99.92611	0.9
101.02454	29.6
106.04266	1.0
108.02184	0.9
109.02953	0.9
109.06605	1.6
111.00873	1.3
111.04545	1.2
111.08178	11.6
113.02470	13.5
116.92888	4.7
119.03545	6.2
119.04948	0.7
121.06610	1.5
123.04552	4.4
123.08176	2.5
125.02457	9.5
125.09743	11.7
127.07598	1.0
131.03519	1.4
135.08147	1.2
137.09758	4.5
139.04056	0.7
141.01935	1.2
141.12877	0.9
143.03537	4.9
145.02930	0.8
145.05096	0.8
149.04460	1.0
149.09793	1.1
151.11302	1.7
161.04584	6.5
161.09723	1.0
161.13457	0.7
162.10501	0.8
163.07671	0.9
163.11331	9.0
165.12849	5.7
165.43723	0.7
167.03481	0.7
167.10808	1.7
169.12349	5.7
171.10291	5.4
177.12950	1.1
179.05632	6.5
179.10786	2.0
181.12361	4.4
183.13887	2.6
185.11844	11.4
187.09703	0.9
191.10817	1.7
191.14433	10.7
193.12354	2.7
197.11845	57.5
198.12140	2.3
199.13393	3.5
202.39798	0.7
202.85468	0.7
207.10249	4.5
209.11848	22.0
210.12122	1.2
211.13408	12.9
217.15953	1.2
221.06688	3.9
221.11804	1.2
225.11336	4.5
227.12901	11.5
235.08194	7.4
235.13382	0.8
237.11345	2.1
245.06786	0.9
245.19116	17.9
247.16980	0.9
247.20627	3.2
253.09213	2.5
263.07532	1.1
263.20117	6.8
265.18094	2.1
271.16983	1.5
273.18582	2.5
281.21249	1.3
287.07724	1.5
289.18091	71.9
290.18414	4.5
291.19659	47.7
292.19937	3.3
293.21216	1.0
305.08765	2.2
306.07642	1.1
307.19159	63.5
308.19421	3.5
309.20721	100.0
310.21057	7.3
323.09863	1.2
325.20303	1.7
333.20844	0.9
351.21826	0.9
379.12305	2.5
397.13535	40.7
398.13666	2.3
415.14603	22.7
416.14999	1.8
589.24896	1.1
607.26031	2.4
635.27515	0.8
651.25195	0.8
661.55481	0.8
687.32001	1.7
705.33429	3.0
726.21362	0.9
997.54047	1.4
1015.51642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	36.1
71.15833	1.4
72.99313	3.7
73.02956	2.8
74.66223	0.7
80.02673	1.0
81.03464	3.2
83.01392	6.3
83.05032	2.9
84.02144	1.2
85.02962	10.6
87.00875	8.4
89.01899	1.3
89.02454	23.8
89.02983	1.4
93.03475	1.1
95.01416	4.1
95.05037	2.6
96.96033	1.3
97.02969	10.4
97.06606	6.0
99.00892	2.3
99.92611	0.9
101.02454	29.6
106.04266	1.0
108.02184	0.9
109.02953	0.9
109.06605	1.6
111.00873	1.3
111.04545	1.2
111.08178	11.6
113.02470	13.5
116.92888	4.7
119.03545	6.2
119.04948	0.7
121.06610	1.5
123.04552	4.4
123.08176	2.5
125.02457	9.5
125.09743	11.7
127.07598	1.0
131.03519	1.4
135.08147	1.2
137.09758	4.5
139.04056	0.7
141.01935	1.2
141.12877	0.9
143.03537	4.9
145.02930	0.8
145.05096	0.8
149.04460	1.0
149.09793	1.1
151.11302	1.7
161.04584	6.5
161.09723	1.0
161.13457	0.7
162.10501	0.8
163.07671	0.9
163.11331	9.0
165.12849	5.7
165.43723	0.7
167.03481	0.7
167.10808	1.7
169.12349	5.7
171.10291	5.4
177.12950	1.1
179.05632	6.5
179.10786	2.0
181.12361	4.4
183.13887	2.6
185.11844	11.4
187.09703	0.9
191.10817	1.7
191.14433	10.7
193.12354	2.7
197.11845	57.5
198.12140	2.3
199.13393	3.5
202.39798	0.7
202.85468	0.7
207.10249	4.5
209.11848	22.0
210.12122	1.2
211.13408	12.9
217.15953	1.2
221.06688	3.9
221.11804	1.2
225.11336	4.5
227.12901	11.5
235.08194	7.4
235.13382	0.8
237.11345	2.1
245.06786	0.9
245.19116	17.9
247.16980	0.9
247.20627	3.2
253.09213	2.5
263.07532	1.1
263.20117	6.8
265.18094	2.1
271.16983	1.5
273.18582	2.5
281.21249	1.3
287.07724	1.5
289.18091	71.9
290.18414	4.5
291.19659	47.7
292.19937	3.3
293.21216	1.0
305.08765	2.2
306.07642	1.1
307.19159	63.5
308.19421	3.5
309.20721	100.0
310.21057	7.3
323.09863	1.2
325.20303	1.7
333.20844	0.9
351.21826	0.9
379.12305	2.5
397.13535	40.7
398.13666	2.3
415.14603	22.7
416.14999	1.8
589.24896	1.1
607.26031	2.4
635.27515	0.8
651.25195	0.8
661.55481	0.8
687.32001	1.7
705.33429	3.0
726.21362	0.9
997.54047	1.4
1015.51642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	4.6
72.99303	0.5
73.02957	0.4
75.00886	1.7
77.62607	0.1
81.56542	0.1
83.01389	0.5
85.02961	6.8
86.03277	0.2
87.00893	1.1
89.02460	0.3
95.01408	1.5
99.00895	2.4
101.02468	0.2
103.00386	1.4
107.01421	0.7
108.02187	0.5
109.02984	0.2
111.00877	0.3
113.02470	10.2
114.02790	0.2
115.00401	0.6
117.01971	0.8
120.99799	0.1
124.01660	0.2
125.02468	0.2
129.01973	0.5
135.00876	0.5
145.02986	0.1
148.01662	0.5
149.99591	0.2
151.00391	1.9
152.01126	0.1
153.01976	0.2
157.01434	0.3
161.02403	0.1
163.00374	0.9
164.01178	0.5
169.01445	0.4
169.02814	0.1
174.03224	0.2
175.02504	5.8
176.02878	0.3
179.02187	0.1
183.04585	0.2
187.03984	0.1
189.06090	0.1
192.00670	0.1
199.04047	0.4
200.04889	0.3
202.02699	0.2
209.00887	0.1
211.04022	0.2
215.03355	0.2
216.04240	0.4
219.06696	0.3
226.02762	0.4
227.03514	2.2
228.04167	0.5
243.02977	6.0
244.03729	1.5
245.04144	0.2
254.02209	1.1
255.02988	12.3
256.03439	1.3
259.06165	0.8
271.02478	21.9
272.03119	4.7
273.03461	0.3
283.02444	0.2
284.03247	1.4
285.03839	0.5
286.04526	0.1
287.05594	1.3
299.01947	0.8
300.02765	35.9
300.99985	0.2
301.03119	3.3
315.05099	100.0
316.05444	9.3
394.09387	0.1
447.09314	2.9
448.09546	0.6
491.08313	34.5
492.08633	5.1
521.20557	0.2
523.22485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	2.3
71.69696	0.1
72.99316	0.4
73.02964	0.3
79.01897	0.6
81.03458	0.1
83.01395	0.7
84.84138	0.1
85.02958	0.7
87.00889	0.6
89.02449	1.0
93.03474	0.2
95.01400	1.1
96.58609	0.1
97.02956	0.5
99.00927	0.2
101.02457	1.1
106.00641	0.1
106.06642	0.2
107.01401	3.5
107.02117	0.2
108.02216	0.3
109.03005	0.6
110.00082	0.1
111.00893	1.2
112.84577	0.1
113.02467	0.7
119.01417	0.1
119.03513	0.3
120.04536	0.1
120.08209	0.3
121.02949	0.6
122.06104	0.1
123.00905	7.5
124.01792	0.5
125.02464	11.4
125.14728	0.1
126.02804	0.4
127.00397	0.4
134.06157	0.8
135.00909	0.3
135.04567	0.1
136.05331	0.2
136.98830	0.7
137.02454	0.2
137.09753	0.1
138.05670	0.1
138.06944	0.2
139.00397	2.2
139.04028	0.1
139.11314	0.2
140.01198	1.7
141.01981	0.9
148.01726	0.4
149.02435	0.2
151.00389	8.9
151.03966	0.2
151.07684	0.2
152.00862	0.2
152.07239	0.2
152.08466	0.3
153.01939	0.5
153.09224	0.5
154.99870	0.2
157.06749	0.1
159.02969	0.1
161.02481	0.2
163.00414	0.8
163.04036	0.4
163.11320	0.3
164.01114	0.3
165.01999	0.2
167.03488	0.3
168.00662	2.9
169.01445	15.5
170.01743	0.7
175.04034	0.1
177.01836	0.1
177.04024	0.4
178.99902	1.9
179.03519	0.2
181.01527	0.2
181.05026	0.2
183.10312	0.2
190.05173	0.1
190.99855	0.1
193.01421	0.1
198.03282	0.1
199.03935	0.2
201.05620	0.2
203.03604	0.2
205.12299	0.8
211.02458	4.0
211.03932	0.3
212.02837	0.2
216.04291	0.2
223.02534	0.1
226.02728	0.6
227.03473	1.0
227.12813	0.3
228.03926	0.2
229.04962	0.2
237.33075	0.1
239.03363	0.1
239.11815	0.2
241.03578	0.3
243.02975	2.7
243.12306	0.2
244.03493	0.4
245.04510	0.4
249.06491	0.2
251.11865	0.1
253.03545	0.3
254.02173	0.7
255.02985	8.7
256.03375	1.1
263.08304	0.2
264.08978	0.4
265.09738	0.3
267.07318	0.2
271.02451	17.1
271.04688	3.0
272.02762	2.0
273.03864	0.4
278.10477	0.2
279.11368	0.6
280.11932	0.2
283.02383	0.5
284.02856	0.1
287.15067	0.2
291.11325	0.2
292.12134	0.2
294.13483	0.2
297.06107	0.3
299.02036	0.4
300.02753	36.2
301.03464	18.5
302.03854	1.5
313.05695	1.6
329.05200	0.2
331.06827	0.5
343.04492	0.2
358.15396	0.1
396.25546	0.1
405.17307	0.1
462.19955	0.2
463.08801	42.0
464.09177	6.0
465.09396	0.3
472.18121	0.1
477.19778	0.1
490.20032	0.2
537.19684	100.0
538.20026	17.9
551.22449	0.1
604.35162	0.1
650.22784	0.1
683.27875	0.1
747.29144	0.9
748.29224	0.3
779.31812	2.1
780.32196	0.4
892.88623	0.1
951.34662	0.2
969.36517	1.6
970.37701	0.5
983.38025	0.3
984.37921	0.2
1001.39313	1.4
1002.39191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.6085
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	3.1
69.07065	9.8
70.11905	2.3
70.12300	2.3
71.01334	1.1
71.04987	2.6
71.08621	18.2
73.02904	2.7
79.05482	12.3
81.03403	8.1
81.06568	1.8
81.07044	26.8
83.04952	3.7
83.08605	14.6
85.02898	15.9
85.06523	2.4
85.10172	11.4
87.04441	4.0
91.03954	9.0
91.05448	8.0
93.07040	7.1
95.04942	2.7
95.08594	21.8
97.02879	8.8
97.06529	3.3
97.10156	15.1
99.08068	1.4
103.03920	1.4
103.07557	1.1
105.07005	3.1
107.04932	2.8
107.08592	6.8
109.06493	3.5
109.10140	51.0
111.04395	1.9
111.08064	2.7
117.06988	1.8
119.08567	5.2
120.68588	0.9
121.10154	2.4
123.08045	1.5
123.11681	3.0
125.09608	11.8
127.03892	2.8
129.05464	1.5
131.08536	2.3
135.11668	3.3
137.09612	2.7
137.13235	1.9
143.10645	1.9
145.04948	2.9
145.10138	3.6
147.07985	1.4
153.12714	3.9
155.10698	2.7
163.05956	2.7
163.11177	6.8
173.09599	1.6
173.11723	16.3
181.12195	2.0
191.10565	2.1
193.12196	2.1
199.13283	6.3
209.11667	5.3
211.13217	1.2
227.12675	9.4
229.14310	45.1
239.23659	4.1
257.24771	2.3
265.14264	1.4
267.15845	3.9
283.15372	4.2
301.16428	22.2
313.27328	100.0
314.27618	2.4
341.26913	2.2
361.66809	1.0
399.23694	15.1
437.36136	3.7
455.37177	11.8
461.90991	1.0
467.37289	32.6
503.36649	1.5
505.38809	3.2
521.38361	2.4
523.39771	2.5
539.39349	14.9
557.40295	7.0
637.46735	42.0
638.46887	2.2
761.47607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6025
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	7.8
69.06710	2.3
69.07058	22.6
71.04977	3.8
71.08619	1.6
71.62933	2.6
73.02898	2.1
79.05482	50.4
81.03397	8.9
81.07037	79.7
83.04972	7.7
83.08614	11.8
85.02890	10.3
85.06512	3.1
91.03941	6.4
91.05470	40.3
91.06006	3.3
93.07024	71.6
95.04950	10.2
95.08584	44.9
97.02866	6.8
97.06521	11.8
97.10139	8.6
99.04420	2.1
99.08099	3.2
105.07009	29.1
105.07680	2.8
107.04941	6.0
107.08575	42.1
109.02818	2.8
109.06487	6.1
109.10143	27.5
111.08062	5.8
117.06992	15.1
119.08538	25.4
121.06480	3.1
121.10136	26.8
123.08048	3.3
123.11671	8.2
125.09617	5.8
126.40505	1.8
127.03890	5.5
129.06975	5.0
131.08543	20.5
133.10117	21.9
135.07997	3.6
135.11662	14.8
137.09589	3.1
137.13261	2.6
143.08540	4.2
145.04971	2.6
145.10083	16.4
147.11674	11.7
149.09607	8.2
149.13210	14.7
151.11162	2.3
157.10115	4.2
159.11655	13.5
161.09726	1.8
161.13255	5.5
163.11160	6.4
163.14769	3.6
171.11676	4.7
173.04385	2.1
173.11884	1.8
173.13243	7.6
175.14723	2.1
175.60066	1.7
177.12766	3.4
185.13193	4.2
187.14792	2.1
189.11131	2.6
194.72432	1.7
195.13765	3.7
227.12701	7.8
229.14273	3.9
243.21085	3.7
243.25909	1.5
247.20575	1.7
255.15915	5.1
257.19046	5.0
259.20502	2.8
261.22083	10.5
267.15805	3.7
269.17456	20.6
275.20078	22.0
291.19162	2.3
315.22961	2.0
317.24991	2.6
331.22644	1.9
333.24066	2.5
335.25726	100.0
343.94189	2.2
349.23651	28.5
367.24786	2.0
413.21426	2.7
432.31232	2.0
489.35571	5.0
515.37280	16.2
529.38745	79.5
530.38715	3.9
547.38849	2.6
569.41547	5.1
609.45056	54.7
610.45264	3.1
627.46295	19.3
649.38525	2.3
673.43610	3.2
742.21832	2.1
771.50708	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	9.9
69.07056	33.0
69.37774	11.2
71.01357	1.4
71.04980	7.9
73.02891	2.2
79.05479	50.5
81.03404	88.4
81.07043	57.4
82.07375	1.1
83.04965	12.8
83.08607	30.3
85.02890	12.8
85.06537	6.3
85.06956	1.0
87.04449	3.4
89.53785	0.9
91.03923	3.2
91.05465	53.0
93.07025	44.6
95.04951	39.1
95.08591	35.7
95.09100	0.6
95.09219	1.1
97.02876	11.5
97.06525	16.3
97.10151	14.2
99.04438	3.3
99.08066	2.5
103.03931	1.3
105.07013	41.8
106.07322	1.2
107.04939	16.3
107.08574	25.9
108.08858	1.2
109.02875	3.2
109.06506	10.6
109.10139	44.6
111.04425	3.9
111.08067	11.6
113.05970	1.6
115.05456	2.2
117.06989	14.4
119.04896	3.1
119.08565	34.3
121.06476	10.7
121.10120	22.5
123.04320	2.4
123.08072	8.1
123.11662	3.7
125.09609	11.8
127.03874	5.0
128.06157	2.7
129.05443	2.5
129.06993	16.9
131.04915	2.1
131.08549	24.5
133.06462	6.5
133.10118	19.9
134.90810	1.3
135.08026	6.4
135.11665	13.2
137.09598	10.0
137.13217	1.5
141.06956	3.2
142.07751	4.0
143.08582	5.9
145.04994	2.5
145.06454	5.2
145.10092	16.8
147.04382	2.1
147.08008	8.2
147.11661	16.2
149.09604	18.9
149.13216	4.0
150.20819	1.0
151.11148	3.7
153.09146	1.8
155.08525	3.8
155.10643	2.1
157.06522	1.3
157.10112	15.4
159.07994	3.3
159.11653	7.2
161.09612	4.1
161.13231	3.4
163.05978	2.1
163.11145	11.2
165.09152	1.4
165.12740	2.6
167.10721	1.2
169.10115	4.6
171.10266	1.3
171.11620	5.3
173.04361	2.0
173.05870	1.3
173.09526	3.3
173.11710	14.7
173.13266	3.8
175.11157	12.2
177.12712	4.2
179.14262	1.4
181.10201	1.8
181.12175	4.1
183.11662	2.6
185.09529	1.6
185.13203	3.3
187.11145	2.9
187.13179	1.7
187.14766	1.2
189.09508	1.1
189.11194	5.7
189.12639	2.7
191.10631	2.4
193.12206	33.2
195.11789	1.5
195.13763	2.7
197.13231	2.4
197.15294	1.0
199.11205	1.8
199.13240	2.6
201.12709	1.3
203.10674	1.2
205.12161	2.5
207.13754	1.5
209.11687	2.5
211.11401	1.6
211.13159	6.5
211.14966	1.3
215.14290	1.3
217.12242	1.7
219.13768	2.1
223.13251	3.1
225.14810	3.8
227.12714	12.1
229.12044	2.2
229.14304	42.8
231.13815	1.4
235.13184	2.0
237.14650	1.4
239.17844	1.6
241.14255	1.7
243.15723	5.0
245.13618	1.2
247.20491	2.3
249.14833	4.6
253.14294	3.8
255.15837	9.7
257.18939	2.5
259.15381	3.4
267.15866	100.0
268.16232	2.8
269.17398	4.1
273.14804	3.1
273.18454	5.3
275.20087	13.8
283.15356	3.1
285.16974	2.8
291.19489	7.3
293.21027	2.0
301.16806	1.4
309.16956	1.8
311.19800	1.5
313.21317	1.4
315.18152	3.7
319.15308	1.2
329.21078	5.8
343.22552	1.7
347.22214	3.2
349.23721	16.6
355.22705	2.0
361.23605	1.3
363.21405	1.7
365.23206	3.7
373.18307	2.3
383.24728	1.7
385.23630	2.0
403.24808	7.3
409.25449	1.2
417.26324	2.2
421.25800	47.4
422.26138	2.2
423.27271	4.6
429.26389	2.1
435.27377	9.0
437.25238	2.0
445.29736	2.0
447.27313	36.0
448.27966	1.4
449.29648	1.4
453.28592	1.1
459.27393	2.3
461.29025	5.7
463.26547	2.8
467.30457	3.2
477.28204	3.5
489.28473	2.5
523.34021	2.0
529.27856	1.6
539.33521	1.5
541.35150	52.0
542.35364	2.9
547.29211	1.8
557.34747	6.8
558.35040	1.3
559.28314	2.1
559.36169	17.6
573.37805	1.9
607.36353	1.2
625.35699	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	61.7
68.05821	0.8
69.03424	10.7
69.07059	25.4
70.56137	2.0
70.56514	1.4
71.04975	6.8
73.02893	3.3
76.15592	0.8
77.03869	1.6
79.05481	46.8
79.12798	0.8
81.03404	85.3
81.07043	60.9
81.82247	0.7
83.04965	14.9
83.08609	30.5
85.02895	12.0
85.06532	4.2
85.52826	1.0
87.04453	1.3
91.03934	3.9
91.05470	48.2
93.07026	50.2
94.07370	0.9
95.04951	39.7
95.08594	27.1
97.02876	9.1
97.06524	12.1
97.10157	19.5
98.15340	0.8
99.04455	2.0
99.08074	3.4
103.05413	1.2
105.07014	43.3
107.04935	14.2
107.07846	1.7
107.08575	34.7
109.02860	2.8
109.06487	9.4
109.10136	21.2
111.04410	2.7
111.08060	11.1
113.05994	1.2
115.05434	2.4
117.07001	16.9
119.04959	2.0
119.08562	35.7
121.06498	10.0
121.10121	18.6
123.04405	2.3
123.08052	6.1
123.11680	4.2
125.05986	1.1
125.09609	16.8
127.03864	4.1
127.07628	0.9
128.06204	2.2
129.05486	1.8
129.06984	17.7
130.07738	0.9
131.04840	1.9
131.07579	1.3
131.08548	25.5
133.06461	6.1
133.10106	24.8
135.08000	6.1
135.11681	15.0
137.09590	5.5
137.13258	1.2
139.07524	0.9
139.11150	1.0
141.06979	3.2
142.07745	3.0
143.08536	6.3
145.04932	1.7
145.06462	7.2
145.10106	16.9
147.04369	2.3
147.08031	7.3
147.11659	17.8
149.09604	15.3
149.13208	7.4
151.11168	3.4
153.09055	2.0
155.08482	5.0
156.09329	0.9
157.06482	1.3
157.08810	0.8
157.10100	15.9
159.08057	2.9
159.11668	13.0
161.05966	1.3
161.09593	3.7
161.13237	4.0
163.06050	1.3
163.11147	10.1
165.12729	3.3
167.08559	2.1
169.10115	4.6
171.08026	2.4
171.11597	6.0
173.04494	1.8
173.09578	3.3
173.11734	3.7
173.13235	4.3
175.11147	11.9
175.14690	1.0
177.12735	3.6
179.14305	2.1
181.10065	2.1
181.12247	2.1
183.11636	3.9
184.12361	0.9
185.09561	1.7
185.13232	3.7
187.11140	2.8
187.14819	1.2
189.05440	1.8
189.09416	1.7
189.11189	8.1
189.12738	1.8
191.10672	2.3
193.10391	1.7
193.12212	24.8
195.11826	1.7
195.13747	3.6
197.13213	3.5
199.14743	2.1
201.12772	2.1
203.14229	2.0
205.12224	2.6
207.13770	1.1
209.11633	2.3
209.13333	1.6
211.11218	1.7
211.13123	6.9
211.14931	1.0
213.12675	1.1
215.17947	1.2
217.15814	1.8
221.13373	1.3
223.13177	2.0
225.12762	1.2
225.14743	1.3
227.12698	13.4
227.14549	1.2
229.14244	6.1
231.13821	1.8
235.13097	1.7
239.18001	1.5
245.13647	1.5
247.20515	1.8
249.14861	3.1
253.14191	1.4
255.15800	8.4
257.15417	1.3
257.18951	5.0
267.15872	75.8
268.16122	1.3
269.17426	18.3
273.14868	2.4
273.18491	2.0
275.20026	18.2
276.61475	0.9
279.15781	1.0
283.15427	3.3
285.16943	2.6
291.19421	6.7
293.21100	2.1
297.22064	1.5
299.20016	2.7
301.14096	2.5
301.16742	2.5
309.16812	2.2
315.23230	1.4
317.20874	1.6
319.15295	0.9
331.22662	1.7
341.24426	1.3
349.19730	1.5
349.23700	24.1
351.23233	1.8
365.23221	3.4
367.24731	3.2
369.24231	2.7
373.23666	1.2
375.17725	1.1
385.23624	1.2
387.25000	1.6
417.26227	1.5
419.24139	1.6
421.25879	7.8
427.27313	0.8
429.26575	1.1
435.27438	4.2
437.25241	3.3
439.27075	1.9
443.27789	7.8
447.27402	32.1
448.28287	1.0
449.30206	3.1
455.26392	1.6
459.27490	4.3
461.28931	100.0
462.29108	4.0
465.28214	1.2
467.31430	3.3
471.26965	1.3
477.28510	5.3
479.29846	1.5
485.33075	1.2
489.28320	1.7
493.31827	12.4
501.31906	2.4
503.29965	1.9
511.29062	3.1
513.35333	1.3
519.33313	1.9
523.34351	4.7
531.36584	1.4
541.35175	86.8
542.35248	3.3
557.32910	1.1
559.36194	35.5
560.36371	2.4
569.30933	3.8
573.37170	3.2
575.35284	2.4
581.29541	1.2
583.35742	3.8
587.32025	3.6
591.38831	4.8
605.32635	2.9
609.35834	1.9
623.33209	1.3
649.36554	1.3
667.37775	3.6
685.38928	3.3
703.40521	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	968.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	80.1
69.03416	9.8
69.06712	1.5
69.07053	17.5
70.12423	6.2
71.01343	1.6
71.04978	9.0
73.02882	4.6
75.24596	1.1
79.05479	46.5
81.03403	73.3
81.07039	47.5
83.04964	23.0
83.08604	31.3
85.02888	39.6
85.06512	5.1
87.04462	4.1
91.03950	10.4
91.05464	50.0
93.07025	29.4
95.04947	32.9
95.08593	18.7
97.02875	13.8
97.06527	8.5
97.10157	15.2
99.04449	1.3
99.08080	2.8
103.03955	1.4
105.07017	29.8
107.04939	14.2
107.08583	16.7
109.02880	2.4
109.06483	6.9
109.10136	51.7
111.04424	4.6
111.08044	12.8
113.05972	3.3
115.05416	2.6
117.06983	7.0
118.79616	1.4
119.08569	25.7
121.06456	3.6
121.10116	13.9
123.08049	4.4
123.11707	3.4
125.09608	12.8
127.03889	3.0
129.05484	3.1
129.06970	13.8
131.08546	15.7
133.06470	3.8
133.10115	17.0
135.08029	2.2
135.11687	6.5
137.09557	6.0
139.07483	1.8
139.49823	1.3
142.07736	4.9
143.07036	1.6
143.10661	1.5
145.04948	4.3
145.10077	6.6
147.08037	5.2
147.11662	21.0
149.09587	9.0
153.12732	2.9
155.08597	1.7
155.10632	3.4
157.10092	17.2
163.05936	3.0
163.11140	9.2
165.12724	5.2
173.09518	2.8
173.11736	15.7
175.11157	18.8
181.12230	2.4
189.38425	1.2
191.10628	3.7
193.12215	61.6
199.13290	5.2
209.11717	6.7
211.13252	100.0
212.13638	1.3
227.12691	11.2
229.14301	52.3
243.15909	1.7
249.14720	2.3
255.15956	2.3
265.14291	2.9
267.15881	36.7
268.16525	1.5
283.15366	12.2
284.15976	1.4
285.16910	77.9
286.17285	1.4
294.10349	2.1
301.16443	14.3
399.23505	11.5
409.25922	2.2
421.25809	15.8
427.26950	5.4
439.26828	66.6
440.27173	3.0
459.27115	2.8
475.26892	3.2
477.28214	4.8
493.28168	8.4
511.28955	20.9
529.29712	3.8
543.36340	1.6
559.35919	1.3
591.35486	2.8
609.36218	71.7
610.36420	3.3
618.28644	1.4
862.91864	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.504
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	100.0
69.03416	15.1
69.07056	43.0
69.68002	5.7
71.01349	3.7
71.04980	7.7
73.02906	8.5
73.06536	0.9
77.03896	1.1
79.05478	65.4
80.05839	0.9
80.06270	1.5
81.02917	1.1
81.03403	34.0
81.07042	70.8
82.04173	4.7
83.01328	1.0
83.04967	18.5
83.08606	20.9
84.02120	0.9
84.05763	1.0
85.02888	25.9
85.06514	5.4
87.04446	1.5
91.03938	8.9
91.05464	61.5
93.07027	55.9
94.04187	1.2
94.07810	1.3
95.01330	0.7
95.04348	1.8
95.04953	30.0
95.08589	44.6
96.04454	1.1
96.05741	1.1
97.02874	16.5
97.03500	1.0
97.06509	23.3
97.10152	19.2
98.07283	6.1
99.04475	3.7
99.08083	3.0
101.02370	0.9
101.06013	1.0
103.03911	1.2
103.05463	2.7
105.04504	1.4
105.07009	43.6
106.07805	0.9
107.04935	17.1
107.05610	1.4
107.08573	35.8
109.02884	4.3
109.06487	9.9
109.10135	50.1
111.04410	4.5
111.08065	10.6
113.05993	1.6
113.09637	2.3
115.03920	1.9
115.05437	2.2
116.04707	7.8
116.06236	1.0
117.05516	1.0
117.06992	16.2
119.04941	1.8
119.08560	34.9
120.09378	1.2
120.46864	0.7
121.06483	8.2
121.10117	16.4
123.04431	1.3
123.08041	12.5
123.11649	4.1
125.05964	1.7
125.09609	22.6
127.03889	6.7
127.11167	1.4
128.06213	2.0
129.05466	26.0
129.06956	10.5
130.07773	1.7
131.04893	1.0
131.08546	22.9
131.09508	1.5
132.09305	0.8
133.06535	3.8
133.09087	1.3
133.10110	27.9
135.08022	7.6
135.11655	17.3
136.08827	1.4
137.09593	18.6
137.13281	0.8
139.07523	1.8
139.11177	2.7
141.06993	3.0
141.09131	0.9
142.07750	2.4
143.06998	6.9
143.08559	5.2
143.10611	1.3
145.04945	3.6
145.06441	2.2
145.10103	22.2
146.10910	1.3
147.08017	6.6
147.11662	16.0
149.08386	1.3
149.09595	25.4
149.13191	4.1
151.07533	1.2
151.11150	5.5
153.09097	2.8
153.12717	1.4
155.08537	3.0
155.10594	4.0
156.09360	0.9
157.08591	10.6
157.10112	11.1
158.05762	1.4
159.08023	1.3
159.11665	12.5
161.09598	4.6
161.13208	6.1
163.06026	2.6
163.11143	16.0
165.09113	2.6
165.12749	2.8
167.06961	0.8
169.10120	2.6
171.06540	3.1
171.10135	5.2
171.11679	4.8
173.04474	1.2
173.09634	1.9
173.11713	17.7
173.13258	4.6
175.11137	7.9
175.14754	1.1
177.12773	4.0
179.10696	1.6
179.14278	5.2
181.12251	2.8
183.11661	2.7
185.08116	1.3
185.11723	1.6
185.13174	1.8
187.11157	2.5
187.13196	1.3
187.14815	2.0
189.11192	7.4
189.12692	1.7
189.16234	1.0
191.10672	3.2
193.12224	12.9
195.13782	1.9
197.13249	2.1
199.09599	1.6
199.13232	13.9
199.14778	1.2
200.14043	2.1
201.12666	1.1
201.14803	1.5
203.10451	0.9
205.12181	1.3
209.11684	8.9
210.12466	1.1
211.13242	10.7
213.11194	1.2
213.16449	1.0
219.13704	1.1
223.13226	3.3
225.11089	1.1
226.20837	0.8
227.12711	14.0
229.14297	26.8
229.19435	1.6
233.15279	1.1
239.17928	1.9
241.14349	1.5
242.15111	0.9
243.15852	5.3
245.19035	1.3
247.20584	2.4
249.14822	1.5
253.14348	4.9
253.17950	1.0
255.15718	9.4
257.18988	7.0
263.20013	1.2
267.13049	0.7
267.15854	13.9
267.18521	1.2
269.17456	3.9
273.18463	7.7
274.19159	1.2
275.20029	28.7
279.15948	1.0
283.15332	10.6
284.16214	1.1
285.16898	8.3
291.19476	12.6
293.21121	2.8
297.16827	1.8
299.14856	1.6
301.16403	50.0
302.16873	1.2
307.19223	0.9
311.18655	1.3
326.24377	1.3
327.51511	0.8
329.20782	0.8
331.22668	1.3
339.21808	1.1
347.22113	2.2
349.23688	33.5
350.23825	1.1
353.23260	1.9
363.21445	1.0
365.23218	7.6
371.24106	1.6
373.18597	1.5
383.24301	3.3
397.21988	3.6
403.24850	1.5
409.25693	2.1
421.25729	3.8
423.27344	2.3
435.27548	1.4
437.25159	2.0
438.26102	1.6
439.26813	4.7
439.70804	0.8
453.28735	0.9
455.26337	16.6
456.26611	1.0
457.25510	0.8
461.29300	1.1
469.27878	4.5
473.32932	0.8
477.28503	1.3
479.30304	6.2
481.27911	3.4
491.33307	1.0
493.28009	1.5
495.29510	1.4
503.33438	1.7
511.28815	2.1
515.05292	0.9
519.33020	0.9
539.33374	1.0
541.35095	3.0
557.34717	3.9
558.35577	1.4
559.35907	1.5
573.33936	1.0
574.34332	0.9
575.35693	40.9
576.35522	1.8
591.35052	2.8
593.36823	10.2
596.12543	0.8
599.29999	1.0
609.35974	4.5
685.50726	0.9
727.65515	0.8
865.32416	0.8
953.53662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6183
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	28.6
69.03413	5.7
69.07056	15.3
69.47611	1.2
69.48038	3.0
71.04968	2.3
71.08620	16.3
72.38296	0.5
73.02876	1.9
79.05479	17.2
81.03411	7.0
81.07042	39.4
83.04957	6.0
83.08142	0.9
83.08604	12.6
85.02895	7.7
85.06503	2.1
85.10165	11.2
89.05974	0.7
91.03944	4.2
91.04887	0.7
91.05461	17.0
93.07025	22.3
95.04957	4.7
95.08588	25.4
97.02869	5.2
97.06507	5.9
97.09624	0.5
97.10146	5.4
98.20735	0.7
99.04413	2.1
99.08057	2.6
101.02309	0.7
103.07520	0.9
105.07014	12.4
107.04919	3.5
107.07867	0.7
107.08575	15.0
109.02821	1.6
109.06491	3.0
109.10125	11.7
111.04379	0.8
111.08089	2.3
111.11685	0.9
113.09612	1.1
114.66470	0.5
115.05397	1.1
117.06324	0.6
117.06995	6.2
117.09081	0.5
119.08555	11.2
121.06469	1.9
121.09312	0.5
121.10119	7.6
123.08024	1.9
123.11686	4.1
125.09582	1.9
127.03870	3.5
128.06161	0.7
129.05424	1.5
129.06976	2.3
131.04877	0.6
131.08545	9.1
133.06497	0.9
133.10097	9.1
135.08044	2.4
135.11656	8.9
137.09554	1.5
137.13196	1.7
141.06895	0.9
142.07768	0.8
143.08508	1.4
145.04926	1.9
145.06453	0.8
145.10121	5.7
147.07990	0.8
147.11671	4.9
149.05945	0.6
149.09593	6.2
149.13234	7.5
151.11095	1.7
151.14685	0.6
155.08449	1.2
157.10068	2.0
159.08131	0.4
159.10426	0.6
159.11676	8.0
161.09563	0.7
161.13280	2.2
163.05995	1.5
163.11172	4.3
165.09055	0.5
165.12679	0.6
169.10048	1.7
171.11630	1.7
173.04420	2.9
173.09679	0.6
173.13145	2.8
175.11148	0.6
175.14784	0.5
177.12747	2.8
179.14293	1.5
181.12196	1.0
183.11665	1.1
185.13277	0.6
187.11119	1.2
189.11211	1.2
193.12311	0.6
195.13774	2.9
196.31325	0.5
197.13216	0.7
213.14803	0.6
217.15852	0.6
219.13713	0.8
227.12766	3.6
229.14351	1.1
229.19473	1.3
233.15326	0.6
235.16864	0.7
239.17909	1.6
239.23615	2.7
241.19521	0.4
243.12206	0.8
247.20515	0.9
251.16382	1.1
253.14275	0.5
255.15865	13.2
257.18979	5.8
257.24731	1.4
259.20657	0.6
267.15930	1.7
269.17435	35.6
270.17734	0.6
275.20013	20.0
291.19412	1.1
293.17886	0.8
293.21075	2.2
303.15833	0.9
309.20596	1.2
313.27307	87.7
314.27634	2.1
321.24091	0.7
331.22586	2.1
331.28497	0.7
339.17972	1.6
349.23660	28.5
350.24051	0.9
367.24658	4.7
395.20752	0.6
409.33075	0.9
413.21719	4.2
419.24139	1.1
457.24509	0.6
467.37195	1.9
475.26535	0.6
483.36880	0.8
493.27475	1.0
493.38812	23.9
494.39178	0.6
505.38290	0.7
507.40356	100.0
508.40710	2.5
511.28793	1.0
523.39526	0.6
531.40448	1.0
547.43805	3.2
561.41412	0.7
569.45453	1.1
573.41364	0.6
587.46594	41.6
588.46716	1.5
605.47571	15.1
606.48389	0.8
611.93481	0.5
627.40704	1.1
629.47632	0.8
651.44427	3.0
669.46051	0.7
713.50079	1.0
731.50647	0.9
749.52057	2.9
816.74780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6029
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05162	5.5
67.05452	15.7
69.03419	4.6
69.07061	17.4
69.07419	0.7
69.32526	1.7
69.32950	2.7
70.70124	0.4
71.04957	0.8
71.08624	11.9
72.30432	0.5
73.02883	1.0
79.05479	10.2
81.03405	3.0
81.07047	16.0
83.04939	1.6
83.08604	9.3
85.02888	3.0
85.06532	0.4
85.10178	7.0
89.06001	0.6
91.03891	1.9
91.05466	8.5
93.07034	9.2
95.04953	4.5
95.08588	13.8
97.02873	7.8
97.06466	1.4
97.10158	9.0
99.11662	0.7
99.69270	0.4
103.07544	0.7
105.07022	6.3
107.04956	3.1
107.07983	0.5
107.08581	6.3
109.02802	0.7
109.06441	1.5
109.10149	8.0
111.04367	0.4
111.08028	1.3
117.07001	3.7
119.04877	0.8
119.08562	6.7
121.06447	1.6
121.10144	3.2
123.08051	2.1
123.11707	2.4
125.09618	6.0
127.03880	1.0
129.06937	1.5
130.07738	0.8
131.08554	4.1
133.06419	1.6
133.10065	2.6
134.07248	0.8
135.07980	1.9
135.11630	2.0
137.09561	1.4
137.13205	0.7
143.08463	1.8
145.04881	0.5
145.10095	3.6
147.08031	2.9
147.11635	1.9
149.09584	1.2
149.13179	1.1
153.09096	0.8
155.08604	0.4
157.10065	1.7
159.11708	1.2
161.09550	1.4
162.10339	0.5
163.05869	0.4
163.11020	0.9
165.09038	1.2
169.12169	0.7
175.11130	0.9
176.07623	0.4
177.12697	0.5
185.09444	0.5
185.13261	0.5
189.11246	2.3
189.12672	0.7
193.12221	0.9
195.13757	1.0
205.12183	1.5
211.13089	0.8
223.11098	0.9
223.13248	14.5
227.12726	4.0
227.18007	0.6
239.23625	1.1
245.18936	0.7
249.14828	1.9
255.17346	1.1
257.24579	0.8
263.20169	0.5
267.15857	1.8
273.18466	9.6
291.19498	70.3
292.19778	2.4
309.20645	0.5
313.27316	66.2
314.27725	2.4
341.26978	0.5
347.22223	2.2
365.23184	65.7
366.23450	1.9
429.21060	0.6
446.10938	0.5
505.38770	2.0
523.39862	6.1
585.44989	2.7
603.46112	100.0
604.46637	5.7
621.47357	1.2
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
67.05500	77.9
69.03426	2.8
69.06715	2.0
69.07064	30.9
71.04964	2.5
71.08627	2.0
71.11891	3.7
73.02898	5.4
79.05053	2.3
79.05486	34.7
81.03398	2.4
81.07050	80.4
83.04948	3.0
83.08605	15.6
85.02898	21.2
85.06521	1.7
85.10151	1.6
86.84454	1.4
90.79132	1.2
91.03952	18.3
91.05475	25.0
93.07038	44.4
95.04965	3.9
95.08599	69.3
97.02892	11.0
97.06519	4.7
97.10178	8.6
99.08068	2.0
105.07026	18.4
107.08584	28.2
109.10146	28.9
111.08072	2.2
115.03989	1.5
117.07023	5.4
119.08569	19.8
121.10128	22.2
123.08061	1.6
123.11694	14.1
125.13251	1.4
127.03896	6.7
131.08591	11.3
133.10118	15.7
135.11676	15.7
137.13242	5.3
145.04956	9.9
145.10135	9.9
147.11671	12.9
149.13264	8.9
151.14809	1.5
153.12839	1.5
155.13585	1.3
159.11652	7.8
161.13310	8.3
163.06018	11.3
163.14809	5.1
173.13170	6.4
175.14795	4.3
177.16339	2.3
185.13187	1.4
187.14795	5.6
189.16382	2.1
231.20987	1.7
243.21075	7.5
245.22621	2.1
259.20563	7.8
261.22116	25.6
263.23746	6.5
273.14993	1.4
277.21866	1.4
287.23782	1.7
287.81458	1.4
305.09149	1.5
317.24744	5.1
333.24188	5.2
335.25769	89.1
336.26035	2.7
337.27332	100.0
338.27786	2.2
339.29007	7.6
364.15036	1.3
523.45325	6.2
531.40338	1.7
541.45972	3.0
597.48694	44.6
598.49402	1.6
615.49750	72.5
616.50012	1.7
686.23419	1.5
741.51489	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6125
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	64.9
69.03419	2.6
69.07055	15.9
70.80038	0.9
71.04984	2.5
71.08617	0.5
73.02898	4.8
77.03897	0.7
79.05478	40.1
79.10545	0.3
80.05838	0.3
81.03400	2.0
81.07040	67.4
83.04967	1.6
83.08123	0.7
83.08601	9.0
85.02888	19.0
85.06535	1.9
87.04475	0.5
91.03938	12.4
91.05461	28.0
93.07024	49.8
94.07355	0.3
95.04954	4.7
95.08585	54.8
96.04465	0.6
97.02872	10.0
97.03500	0.7
97.06503	2.7
97.10140	3.3
99.04449	1.1
99.08089	1.4
103.03883	0.4
103.05482	0.5
105.04504	1.2
105.07008	21.4
107.04966	0.3
107.08572	28.3
109.02866	1.0
109.06506	1.6
109.10133	24.7
111.08070	1.4
111.11717	0.9
113.09617	0.9
115.03920	0.7
115.05410	0.4
117.05582	0.3
117.06989	8.6
119.08557	18.0
121.06453	0.4
121.10115	23.9
122.10443	0.3
123.08059	1.2
123.11684	9.0
125.09610	1.1
125.13200	0.3
127.03871	4.7
127.07524	0.3
129.07021	1.9
130.07770	0.4
131.08539	14.5
133.06432	0.3
133.10100	16.5
135.08034	0.6
135.11664	16.3
137.09595	1.1
137.13228	3.1
139.11168	1.0
141.06958	0.4
143.08533	2.5
144.06526	0.5
144.09296	0.4
145.04924	5.6
145.10095	12.5
147.11655	11.0
149.09593	0.6
149.13232	9.2
151.11174	0.7
151.14784	0.8
153.12785	0.5
155.08556	0.8
157.10109	2.0
159.11658	10.2
161.13214	8.9
163.05978	8.5
163.11169	1.0
163.14801	5.2
165.12677	0.6
169.10104	0.8
171.11644	2.7
173.13223	7.7
175.11128	0.4
175.14784	4.1
177.12775	0.6
177.16341	1.7
179.14284	0.4
180.08647	0.7
183.11681	0.6
184.02866	0.3
185.13193	2.3
187.14760	4.2
189.16368	1.4
191.14261	0.5
191.17961	0.5
197.13228	0.8
199.14812	1.9
201.16299	1.5
203.14278	0.4
203.17909	0.5
205.15804	0.5
209.99716	0.3
213.16406	0.7
215.17929	1.2
217.19345	0.6
219.17485	0.5
219.21188	0.3
223.14769	0.3
227.18095	0.5
229.19548	0.3
231.21030	1.1
233.18814	0.5
233.22641	1.0
241.17558	0.4
241.19547	4.4
243.21028	5.4
245.22585	0.6
247.20709	0.6
255.19452	0.4
257.19037	0.9
259.20526	8.8
259.45148	0.3
261.22089	20.4
263.23627	2.1
273.22043	0.7
275.19910	0.6
277.21472	1.1
279.23248	1.0
285.21945	0.5
287.23660	0.6
289.25125	0.4
293.21304	0.4
295.22549	0.5
299.23724	0.9
303.23260	0.4
313.25198	0.4
315.23093	1.3
315.26709	0.4
317.24680	3.7
323.25763	0.3
331.22357	0.4
333.24158	9.6
335.25726	100.0
336.26141	1.5
337.27316	14.8
343.26303	0.5
347.25912	0.4
353.27151	0.4
355.29947	0.7
369.31592	0.4
443.35547	0.4
451.35547	0.4
489.35544	0.9
491.36862	0.5
497.30835	0.6
503.36911	1.1
503.43008	0.6
515.36957	0.4
517.38409	0.7
521.43475	3.1
529.38306	0.7
531.40619	0.5
539.44275	1.5
543.40277	1.2
595.47058	18.2
613.48151	30.8
614.48425	0.8
728.47266	0.4
981.40564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89917	0.9
67.05492	84.0
69.03409	9.1
69.07056	24.5
69.35696	9.3
71.04983	8.4
73.02901	3.2
79.05478	58.1
80.05801	1.1
81.03403	88.4
81.07041	82.7
83.04964	21.2
83.08603	43.2
85.02888	39.2
85.06523	6.5
85.48988	0.9
91.03919	5.7
91.05462	60.7
93.07024	52.5
95.04951	34.5
95.08588	32.3
97.02880	10.5
97.06512	16.6
97.10149	13.1
99.04456	2.0
99.08072	4.4
103.05443	1.9
105.07014	48.7
107.04934	13.4
107.08569	35.3
109.02891	1.9
109.06495	14.5
109.10136	51.0
111.04429	5.6
111.08060	21.4
113.06000	4.7
115.05441	3.5
117.06996	11.8
119.04917	1.2
119.08553	40.1
120.08923	1.2
121.06480	4.5
121.10121	24.5
123.08042	7.0
123.11677	7.9
125.09609	11.4
127.03892	3.2
127.07501	1.1
128.06230	1.8
129.05496	1.3
129.06975	18.1
131.08548	30.1
133.06476	5.0
133.10106	32.2
135.08025	5.2
135.11679	9.3
137.05971	4.0
137.09589	7.0
139.11163	1.4
141.06966	2.2
142.07791	3.6
143.08527	4.1
145.04951	2.6
145.06479	1.7
145.10097	16.4
147.04384	1.1
147.07973	5.7
147.11658	34.3
149.09593	18.0
149.13237	9.4
151.07561	1.2
151.11194	2.1
153.09067	2.0
153.12766	1.4
155.08513	1.9
155.10582	2.5
157.10098	24.2
159.07990	1.6
159.11664	10.6
161.05896	1.0
161.09561	1.5
161.13292	3.1
163.06006	3.1
163.07388	0.9
163.11143	7.5
165.12714	7.0
167.07030	3.7
169.10204	2.6
171.11658	2.7
173.04356	1.4
173.11719	11.8
173.13232	5.0
175.11159	25.2
175.14766	1.2
177.12732	3.9
179.07147	1.1
179.14308	2.0
181.04898	1.6
183.11757	1.8
187.11125	1.7
189.11174	4.2
193.12212	64.5
195.13785	3.3
197.13303	1.8
201.12686	1.4
207.11888	1.4
211.13251	69.9
215.14276	1.2
217.12395	1.1
227.12752	9.9
229.14285	29.7
229.19427	1.8
239.17924	2.5
241.14371	1.2
246.24301	3.6
247.20639	1.7
247.24670	2.1
249.14865	2.2
257.18985	6.3
267.15869	41.4
269.17447	20.3
275.20023	36.8
285.16916	67.6
293.21075	4.5
301.14249	1.3
315.23059	1.0
331.22620	3.3
349.23679	33.8
367.24783	12.6
369.24127	1.5
403.24768	1.2
413.21631	2.3
421.25769	21.3
429.21246	2.1
433.29358	1.5
435.27429	1.4
437.24963	1.3
439.26828	100.0
440.26974	1.9
443.27863	3.1
449.30624	1.4
455.26364	2.4
461.28867	38.1
467.31589	1.6
479.29941	82.5
480.30197	2.2
501.32181	1.5
503.29422	1.9
523.34119	2.2
541.35211	48.3
542.35736	1.3
547.28900	1.1
559.36206	97.6
560.36432	3.1
565.30127	3.0
569.30902	1.4
577.37231	34.8
578.38171	1.5
583.30914	15.1
587.32294	1.8
601.37988	1.1
605.32849	3.6
623.34113	15.2
624.82489	1.3
685.38324	1.6
703.40167	4.7
721.40912	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	100.0
68.05830	1.2
69.03421	13.6
69.07059	52.9
69.50082	6.4
71.01325	2.1
71.04984	11.9
73.02901	7.0
73.06539	1.2
74.73985	0.8
75.54649	0.8
77.03900	2.2
79.05482	76.5
80.06218	1.0
81.03406	83.6
81.07043	85.8
82.03736	1.8
82.04197	1.2
82.07381	1.8
83.04971	27.9
83.08605	36.2
85.02892	47.0
85.06543	6.1
87.04472	2.2
91.03949	10.8
91.05466	89.8
93.07030	71.3
95.01309	1.3
95.04957	46.5
95.08594	50.7
96.08916	1.2
97.02876	21.2
97.06520	26.0
97.10152	15.2
98.07298	1.3
98.33071	0.8
99.04436	3.5
99.08068	2.4
101.02341	0.8
103.05458	2.0
105.04488	2.1
105.07016	66.8
107.04934	22.4
107.07849	1.9
107.08581	39.3
109.02853	4.0
109.06514	12.3
109.10140	40.6
111.04437	4.9
111.07338	1.7
111.08063	19.6
113.05975	4.1
113.09681	1.6
115.03899	1.7
115.05445	3.8
115.07588	0.9
116.04689	3.0
116.06228	1.0
117.06997	17.7
119.04908	1.5
119.08561	51.1
120.08884	1.4
121.06509	6.4
121.10123	20.6
121.11006	1.1
123.08044	11.5
123.11721	5.6
125.05982	1.5
125.09610	15.7
125.57949	0.9
127.03900	7.2
127.07545	2.0
128.06218	2.7
129.05470	10.0
129.06976	22.5
129.07899	1.9
130.07756	1.3
131.08546	31.3
133.06470	6.3
133.10110	39.9
135.08052	6.1
135.11664	12.5
137.08632	1.7
137.09605	19.2
137.13290	1.0
139.11156	2.2
141.06970	3.0
141.09100	0.8
142.07791	5.0
143.07010	2.1
143.08534	4.9
145.04945	4.2
145.06421	2.3
145.10098	20.9
145.11241	1.0
146.10875	1.2
147.08034	7.3
147.11662	30.7
149.09598	30.1
149.13200	4.9
151.11176	5.1
153.09155	1.3
155.08528	3.8
155.10597	2.3
157.08607	2.9
157.10103	22.3
159.08032	1.3
159.11656	12.3
161.09621	3.9
161.13243	6.1
163.05995	4.2
163.11148	14.9
165.09120	2.3
165.12740	6.9
167.10681	1.1
169.10085	4.2
171.10161	3.1
171.11662	4.9
173.04471	2.3
173.09605	1.7
173.11710	11.3
173.13246	6.1
175.11159	21.6
177.12724	4.6
179.14287	5.2
181.12135	1.8
183.11641	3.0
185.13254	2.8
187.11180	2.5
187.13280	0.9
187.14816	1.6
189.11182	7.7
189.12714	1.6
191.10545	0.9
193.12210	65.4
195.13692	2.2
197.13272	2.4
199.13254	2.9
199.14902	1.8
201.12776	1.7
205.09192	0.9
205.12186	2.0
209.11620	2.3
211.13255	86.3
212.13712	1.7
215.18022	1.0
223.13243	3.7
227.12703	12.7
229.12041	1.4
229.14293	21.2
229.19376	2.5
239.17958	3.2
243.15842	4.2
245.18964	1.5
247.20596	2.5
249.14848	2.2
253.14235	2.0
253.17929	1.3
255.15601	5.1
257.18961	9.1
267.15866	43.7
268.16144	1.8
269.17429	6.0
273.18417	6.9
275.20032	39.5
276.20377	1.1
279.15906	2.2
283.15475	2.8
285.16922	66.7
286.17194	1.8
287.20047	1.1
291.19513	11.8
293.21011	4.0
297.16907	1.1
299.15063	1.3
301.16467	15.3
331.22574	1.9
347.22208	2.6
349.23672	51.6
350.24185	2.5
363.21533	2.0
365.23145	7.2
367.24695	2.7
373.18430	2.8
381.22635	5.9
383.24347	1.3
384.96832	0.9
403.24878	1.9
421.25815	13.7
423.27304	2.9
435.27213	1.6
437.25198	1.5
439.26865	47.6
440.26959	2.8
447.27704	2.1
453.28275	3.8
460.28207	1.1
461.28799	2.2
463.30667	7.3
465.28522	3.1
477.27930	2.1
479.30215	5.4
481.27625	1.8
495.29684	5.1
523.34015	2.5
539.33832	1.7
540.34442	1.2
541.35150	26.4
542.35217	1.6
557.34497	3.9
558.35156	2.5
559.36237	59.5
560.36432	5.5
575.35724	18.0
576.36603	2.3
577.29083	1.3
577.37219	10.1
583.30933	2.4
593.36365	3.1
780.51733	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	86.3
69.03065	1.0
69.03419	14.6
69.07059	53.9
69.52825	6.7
71.01355	3.9
71.01669	0.8
71.04980	10.0
73.02905	8.7
77.03912	1.4
79.05481	69.0
79.90265	0.8
80.06242	0.8
81.03407	31.1
81.07043	79.8
82.04185	0.8
83.01328	12.2
83.04969	27.6
83.08133	1.4
83.08605	27.7
85.02890	28.2
85.06516	5.5
87.04436	1.3
88.16132	0.8
91.03944	12.7
91.05465	68.9
92.05818	1.0
93.07027	71.5
94.04151	1.1
94.07341	1.9
95.01285	1.0
95.04347	1.2
95.04954	24.5
95.08592	47.9
96.04471	0.9
97.02274	1.3
97.02878	23.3
97.06514	22.9
97.10156	16.4
98.07290	2.0
99.04427	7.3
99.08067	2.5
101.02322	1.2
101.06004	1.5
103.03927	0.9
103.05437	2.3
105.04485	1.9
105.07012	49.8
106.07269	0.8
107.04942	25.3
107.08578	42.4
109.02867	3.6
109.06509	16.5
109.10138	38.4
109.10760	0.8
109.10896	1.5
111.04420	6.2
111.08064	10.1
111.11732	0.9
112.29647	0.8
113.05995	1.6
113.09606	1.3
115.03910	1.6
115.05421	1.7
116.04684	4.8
116.06244	1.0
117.07005	22.7
119.04910	1.9
119.08561	42.1
121.06473	8.5
121.10122	23.7
121.11001	1.2
123.04426	2.1
123.08056	20.4
123.11666	3.9
125.05972	3.1
125.09613	17.9
127.03906	6.3
127.07519	1.0
127.11091	0.8
128.04668	0.7
128.06178	1.7
129.05478	13.8
129.06964	9.0
130.07744	3.4
131.04880	1.9
131.07558	1.6
131.08540	24.2
133.06479	3.6
133.10106	27.6
135.08038	9.7
135.11664	24.1
137.05914	1.3
137.09590	19.0
139.07532	1.9
139.11201	1.5
141.06931	2.8
141.09064	1.1
142.07751	2.1
143.06978	2.3
143.08533	7.6
143.10577	1.2
144.09372	0.8
145.04977	4.3
145.06412	3.1
145.10104	34.9
147.08003	8.2
147.11661	13.5
149.09601	21.5
149.13243	4.4
151.11174	6.9
153.09050	2.3
153.12700	4.4
155.08559	4.3
155.10570	1.8
157.08563	5.4
157.10086	8.1
159.07967	1.5
159.11644	10.4
161.09621	4.1
161.13196	6.3
163.05974	3.5
163.07365	1.2
163.11151	43.4
164.11649	1.0
165.09073	3.6
165.12714	2.2
169.10098	2.2
169.12228	1.4
171.06493	1.2
171.10118	3.5
171.11659	4.3
173.04405	2.1
173.09592	6.4
173.11699	10.2
173.13235	5.7
175.11151	5.6
175.14851	1.4
177.08920	0.9
177.12701	5.2
179.10655	2.0
179.14296	3.8
181.12206	6.6
183.11702	2.1
185.13196	1.9
186.09807	0.7
187.11163	2.8
187.13191	1.4
187.14825	1.7
189.11160	8.2
189.12779	2.3
191.10655	5.8
193.12152	4.6
195.13751	2.2
197.13222	1.9
199.13263	4.5
199.14833	1.2
200.13727	0.8
201.12764	1.1
205.12221	2.3
209.11687	16.3
211.13170	5.5
213.16435	1.0
215.14290	1.1
217.15746	1.1
219.13731	0.9
223.13239	14.6
227.12738	21.2
227.17802	1.1
229.14293	9.1
229.19453	1.1
233.15405	1.1
239.17921	2.0
243.15858	3.0
245.13710	1.0
245.18987	2.2
247.20468	3.3
249.14719	2.1
253.14339	7.2
255.15581	4.5
257.19028	6.1
261.18335	1.2
263.19916	1.6
265.14212	1.5
267.15842	9.0
269.17413	1.6
273.18436	14.1
274.19022	1.2
275.20007	30.3
281.13638	1.0
283.15353	100.0
284.15692	2.0
285.16943	2.9
285.81131	0.7
291.19489	56.1
292.19812	1.4
293.21170	3.9
297.16830	1.2
299.14874	1.8
301.16415	25.8
307.22363	0.8
311.14899	1.8
331.22571	2.6
347.22104	3.4
349.23697	43.7
349.43811	0.9
350.23828	0.9
353.15808	0.8
365.23203	31.8
366.23392	1.1
367.24930	1.1
373.18628	2.0
379.21060	9.8
383.23926	1.3
419.24118	1.0
437.25284	63.7
438.25613	2.6
439.26559	1.0
451.26913	9.2
453.24506	1.2
461.29013	10.8
463.26886	6.5
475.26736	0.9
476.27420	1.5
477.28351	7.6
479.26260	1.6
489.31644	1.3
492.30008	0.9
493.27859	2.6
505.27927	1.4
511.28677	0.8
519.32666	2.2
529.35168	1.8
539.33466	4.9
555.33112	2.2
556.33502	2.5
557.34662	70.8
558.34930	3.3
573.34167	11.9
574.35059	3.7
575.35730	17.1
576.35358	1.2
591.35162	44.5
592.35529	1.8
621.32147	1.4
633.06641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5841
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	2.9
73.02907	3.3
79.05534	1.5
81.07035	1.8
85.02907	4.4
88.10724	1.6
91.03944	1.9
95.08600	2.6
97.02895	5.9
97.64035	1.7
101.02373	1.7
110.59502	1.7
125.90588	1.5
195.28889	1.4
211.22928	1.5
293.86435	1.6
311.13641	1.6
317.82101	1.9
405.13934	4.4
442.31436	1.6
497.30847	3.6
519.29364	3.9
605.53790	1.5
659.35822	3.7
681.34155	5.7
715.98859	1.7
749.17145	1.7
937.58368	100.0
938.58832	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	936.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03903	2.6
65.52786	0.7
65.72367	0.6
67.05495	54.5
68.05827	0.7
69.03433	3.3
69.07060	10.9
71.04984	4.5
73.02882	2.5
77.03887	0.7
79.05482	39.0
81.03408	83.4
81.07045	56.7
83.04971	6.6
83.08608	24.7
85.02436	0.8
85.02895	9.0
85.06503	2.4
91.03941	5.5
91.04875	1.5
91.05465	32.9
93.07030	40.8
95.04368	1.8
95.04958	31.8
95.08595	40.5
97.02876	5.9
97.06493	4.2
97.09640	0.6
97.10164	8.4
103.05418	1.0
105.07017	25.3
107.04934	7.9
107.08582	25.4
109.02859	1.0
109.06490	4.6
109.09458	1.2
109.10146	19.0
110.68787	0.7
111.04430	1.6
111.08071	6.3
113.09650	0.8
113.42286	0.7
115.05427	1.6
117.07003	8.4
119.04191	0.6
119.08572	25.6
121.06480	5.2
121.09312	1.3
121.10129	21.9
123.04404	3.2
123.08052	3.5
123.11677	7.6
125.09617	3.5
127.03851	1.6
129.06993	11.4
130.56470	0.6
131.08559	18.9
133.06451	3.9
133.10110	14.9
135.07996	2.2
135.11673	15.3
137.09572	2.5
137.13203	2.0
141.06926	1.6
142.07733	3.0
143.08521	3.0
145.04915	3.3
145.06384	0.8
145.10100	11.3
147.04364	1.5
147.08067	4.0
147.11670	14.8
149.09590	6.1
149.13258	5.8
151.11159	1.2
151.14737	0.9
155.08475	1.1
157.08926	1.0
157.10109	11.9
159.11678	8.5
161.05937	1.4
161.09547	1.4
161.13217	7.5
163.05983	5.8
163.11154	2.4
163.14812	4.4
165.12747	2.6
169.10042	1.1
169.63191	0.7
171.10219	0.9
171.11659	2.7
173.09608	1.0
173.13226	5.5
174.74184	0.7
175.11157	9.2
175.14806	2.0
177.12769	1.3
177.16357	1.3
180.47043	0.7
181.10115	1.0
183.11679	0.9
185.09535	0.8
185.13176	3.0
187.11061	0.8
187.14778	3.5
189.11174	2.9
189.12727	0.9
189.16327	0.9
191.10603	1.2
193.12221	22.4
197.13245	1.3
199.14726	1.6
201.16379	2.3
205.12183	1.9
207.13841	1.2
211.13292	1.9
217.12199	0.8
227.12738	10.8
235.13257	1.7
243.15973	1.0
243.21063	5.8
247.16653	1.0
249.14877	2.3
259.13287	2.8
259.20596	1.3
261.22101	17.7
265.14435	0.7
267.15878	100.0
268.16110	1.5
273.14764	1.4
279.23117	1.8
285.22028	1.6
299.23660	1.1
301.14368	2.0
301.20340	0.9
301.21921	0.8
301.25204	6.2
303.23099	1.1
309.16998	4.6
315.23016	0.9
317.24756	3.1
319.15656	1.0
333.16714	1.2
335.25751	80.6
336.26074	1.9
353.26584	1.0
358.89246	0.8
359.25800	2.1
375.18045	0.9
403.24643	1.3
407.24176	1.4
411.19876	0.7
417.26300	1.0
417.31406	1.0
421.25916	4.4
435.27283	3.5
435.32571	5.1
445.29309	0.8
449.29068	2.0
453.33527	8.2
461.29065	1.1
463.30063	0.9
471.34738	5.2
475.30545	1.0
509.36313	3.6
527.37268	81.0
528.37616	2.7
545.38287	97.5
546.38623	3.1
559.39624	3.5
569.38269	8.7
577.41125	3.6
587.39197	2.6
611.39545	2.1
623.39252	2.6
635.39191	4.0
653.40515	3.4
671.41339	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	936.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	4.9
66.04744	1.5
66.96994	1.4
67.05497	73.6
69.03421	14.4
69.07059	26.9
70.48563	1.3
71.04985	10.1
71.08604	3.4
73.02914	7.3
77.03878	1.7
79.05480	81.8
80.05800	1.5
81.03407	63.9
81.07044	89.1
82.04175	1.6
82.07341	1.4
83.04972	27.0
83.08602	29.7
85.02889	43.5
85.06526	4.7
91.03939	13.5
91.05467	100.0
92.05791	1.5
93.07028	80.4
95.04950	44.4
95.08590	45.7
97.02876	21.3
97.06519	15.5
97.10161	11.8
98.07281	2.7
99.04430	4.3
99.08076	7.2
103.05445	2.0
105.04526	2.0
105.07014	80.6
107.04952	14.0
107.07851	2.1
107.08578	41.7
109.02866	3.0
109.06499	11.5
109.10146	21.7
111.04448	4.1
111.08057	16.5
113.05988	3.3
115.03951	1.6
115.05418	5.9
116.04690	3.7
117.06999	27.8
119.08562	65.9
120.08836	1.4
121.06487	7.0
121.10128	31.2
123.08067	8.0
123.11690	4.9
125.09606	10.4
127.03920	7.9
127.07580	1.9
128.06221	3.2
129.05496	15.2
129.06979	26.4
131.08546	40.2
133.06483	4.9
133.10112	55.6
134.10405	1.8
135.08011	6.5
135.11671	21.0
137.09616	6.3
141.06969	2.3
142.07733	6.2
143.07014	2.8
143.08534	11.9
145.04979	6.6
145.06406	3.7
145.10092	29.7
147.08038	5.6
147.11665	48.0
149.09619	17.5
149.13232	15.5
151.11154	5.1
155.08549	3.6
157.08693	2.8
157.10086	27.3
159.11676	20.1
161.09627	2.7
161.13229	21.8
162.93224	1.4
163.05983	5.1
163.11131	9.1
163.14824	2.6
165.12770	5.7
169.10106	5.2
171.10236	2.7
171.11626	12.0
173.04402	2.6
173.09616	2.2
173.13203	12.4
175.11163	17.3
175.14774	7.1
177.12727	5.0
179.14301	2.8
181.12268	2.0
183.11646	4.2
185.13249	10.1
187.14859	3.8
189.11203	4.6
189.12706	2.2
193.12221	52.4
195.11790	2.5
195.13763	6.4
197.13274	2.9
199.13213	1.6
199.14818	5.5
201.12740	1.5
201.16345	1.7
203.14256	1.7
204.31761	1.6
209.13397	1.4
211.13251	70.3
212.13565	1.9
213.16362	2.2
215.17920	2.0
217.15904	1.8
219.13818	3.2
227.12675	8.2
229.14354	7.1
229.19359	2.0
231.21013	4.8
239.17938	2.6
241.19460	16.5
247.20741	1.5
253.14218	2.3
255.15849	2.2
257.18918	7.9
259.18463	0.9
259.20535	46.4
267.15854	35.7
269.17438	25.6
275.20062	20.1
283.15381	4.7
285.16937	67.2
291.19507	3.3
293.21069	6.1
297.22018	2.2
301.16455	18.0
313.21521	3.2
315.23221	3.3
331.22525	3.3
333.24191	35.7
349.23694	16.2
351.25024	1.7
365.23523	1.9
367.24643	4.4
387.25269	2.1
389.26663	1.7
421.25751	2.7
423.27365	3.9
433.30817	5.2
439.26816	3.8
451.32169	4.5
461.28989	13.9
463.30179	1.9
465.27698	1.6
467.31119	1.9
469.33228	3.6
477.28409	5.9
479.29971	34.4
507.34775	2.3
513.35779	1.7
515.36914	2.6
525.35718	27.3
541.34991	8.1
543.36743	60.4
544.36859	2.5
559.36255	25.3
561.38239	3.4
577.37262	13.1
623.33789	2.2
669.39807	1.6
732.64227	1.6
790.04944	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.0
67.05495	86.7
69.03426	14.9
69.06712	2.6
69.07059	31.7
70.66079	6.0
71.04981	8.1
71.08630	3.1
73.02898	6.4
75.07544	1.6
79.05482	72.0
80.05812	3.5
80.55523	1.5
81.03408	60.4
81.07045	90.2
82.03735	3.5
82.07355	3.8
83.04966	24.0
83.08604	33.1
85.02895	41.4
85.06515	5.6
91.03952	9.6
91.05468	100.0
92.05789	5.1
92.89807	1.7
93.07028	78.1
94.07336	3.1
95.04959	45.4
95.08592	54.3
97.02877	15.4
97.06506	11.7
97.10157	13.6
99.04485	2.6
99.08072	4.8
103.05486	2.5
105.07015	86.3
106.07344	4.0
107.04939	12.5
107.08582	46.2
108.08904	2.7
109.02851	3.8
109.06494	13.3
109.09438	2.6
109.10141	26.8
110.10480	2.7
111.04434	4.1
111.08051	15.3
113.05976	4.6
115.05447	3.7
117.07005	25.6
119.08566	64.0
120.08905	2.0
121.06459	7.4
121.10129	28.7
122.10538	1.5
123.08055	10.2
123.11669	7.6
125.09586	11.9
127.03883	7.2
128.06197	3.2
129.05511	8.0
129.06982	24.1
131.08542	41.5
133.06458	5.4
133.10110	65.7
134.10445	5.3
135.08005	8.0
135.11671	17.4
137.09586	6.0
141.06953	3.6
142.07753	3.4
143.08585	11.9
145.04927	6.5
145.06560	2.4
145.10092	30.2
147.08031	4.7
147.11667	45.6
149.09587	16.5
149.13272	12.8
151.11134	9.9
155.08495	4.0
157.08617	4.9
157.10094	23.6
159.07904	2.5
159.11676	22.5
161.09552	3.5
161.13228	19.4
163.05992	4.1
163.11133	9.9
163.14769	3.0
165.12718	5.3
167.08467	1.9
169.10068	3.5
171.10179	2.5
171.11626	13.1
173.11832	3.0
173.13223	10.7
175.11171	18.9
175.14775	6.4
176.11459	1.9
177.12743	4.5
181.10229	2.1
181.12039	1.9
183.11626	6.7
185.13228	11.4
187.11150	1.9
187.14819	3.4
189.11172	3.9
189.12749	2.6
193.12219	45.2
194.12453	2.6
195.11418	1.8
195.13817	4.7
197.13162	1.8
199.13173	1.8
199.14781	5.7
203.14313	2.4
211.13234	59.5
211.15187	3.2
212.13596	6.7
213.16408	4.0
215.17891	2.3
227.12718	9.8
229.14275	4.6
231.17465	2.1
231.21051	4.0
239.18031	3.6
241.19484	16.0
253.14294	17.8
254.14742	9.9
255.15013	3.4
257.18906	7.5
259.20557	50.4
267.15900	31.2
268.16263	3.2
269.17480	24.0
273.18481	5.6
274.18741	4.4
275.19995	20.7
277.21573	3.0
283.15338	7.5
285.16934	63.1
286.17288	7.6
291.19662	8.7
292.19864	3.9
293.17923	2.5
293.20923	13.2
301.16458	10.9
309.20471	1.7
313.21573	2.5
315.22992	3.3
333.24207	31.6
349.23734	13.3
365.23114	6.0
366.23471	5.8
367.24240	8.4
421.25912	2.7
423.27310	4.4
433.31168	4.0
439.26801	4.9
451.32040	2.4
461.29044	11.5
463.26962	2.0
464.26978	4.4
465.28036	3.8
477.28247	3.2
479.29990	28.7
481.27911	4.1
482.28214	4.9
483.28217	2.1
515.36676	2.1
519.31915	1.8
525.35815	19.2
541.34698	7.3
543.36731	51.8
544.37042	2.6
557.34637	3.9
558.34448	5.7
559.36035	36.6
561.37726	4.5
575.35626	8.2
576.36108	13.1
577.36578	29.3
749.77081	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	4.6
67.05493	66.0
68.27840	1.2
69.03413	13.0
69.07058	33.8
71.01350	2.4
71.04996	9.3
73.02898	5.6
73.06573	1.2
77.03915	1.0
79.05480	64.3
81.03404	83.2
81.07040	82.2
83.04966	25.5
83.08601	39.0
85.02890	46.7
85.03417	1.6
85.06520	4.7
91.03945	7.8
91.05465	75.2
92.05796	1.5
93.07028	60.3
95.04948	37.5
95.08595	37.2
95.12946	0.9
97.02877	14.4
97.06510	20.8
97.10154	18.5
98.20749	2.0
99.04466	3.8
99.08092	3.8
101.02331	1.7
103.03880	1.0
103.05470	1.3
105.04482	1.9
105.07013	64.5
107.04937	17.8
107.08573	44.2
109.02852	3.4
109.06513	11.1
109.10137	14.2
111.04427	4.3
111.08055	17.1
113.05985	3.6
113.09598	1.7
115.05434	3.3
116.06270	1.2
117.06991	16.3
119.04880	2.0
119.08563	45.6
121.06487	7.1
121.10118	28.6
121.10989	1.0
123.08033	6.1
123.11650	6.3
125.09609	13.6
127.03867	7.7
128.06233	1.4
129.05470	2.6
129.06993	16.1
130.07727	1.2
131.08545	31.4
133.06442	3.2
133.10109	39.8
134.10542	1.0
135.08022	4.5
135.11670	12.4
137.09598	3.5
138.69034	1.2
141.06973	3.4
142.07747	5.2
143.08543	5.8
145.04926	2.9
145.06464	2.5
145.10110	18.9
147.08044	5.2
147.10472	1.8
147.11658	33.2
149.05930	1.1
149.09602	23.2
149.13196	10.0
151.11139	2.6
153.09059	1.6
155.08557	3.2
157.10106	25.5
159.11685	13.6
159.19162	1.3
161.09633	2.2
161.13242	5.8
163.05986	2.9
163.11147	9.8
165.12767	4.5
169.10141	3.5
171.11667	3.9
173.04402	3.7
173.09561	1.4
173.11855	1.7
173.13155	6.0
175.11150	18.7
177.12747	4.0
179.14328	2.9
183.11671	4.0
185.13271	2.5
187.11171	2.6
187.14854	1.8
189.11194	7.7
189.12672	1.9
193.12212	50.6
194.12518	1.6
195.13814	4.2
197.13225	2.7
199.14799	1.8
211.13255	81.5
212.13564	1.9
213.10999	1.0
213.16383	1.2
219.13882	1.1
225.16513	1.1
227.12733	26.4
229.14328	4.4
229.19510	3.1
229.53017	1.3
233.15335	1.4
239.17986	4.5
245.13771	2.3
247.20625	2.8
249.14784	2.0
251.19914	1.3
255.15839	7.9
257.19055	10.8
267.15878	44.2
268.16138	1.2
269.17422	21.5
275.20007	49.6
276.20416	1.5
283.15433	1.1
285.16916	85.3
286.17288	3.1
293.18073	1.2
293.21033	5.6
321.24597	1.5
331.22638	4.4
349.23691	55.9
350.24057	4.3
353.24786	1.2
362.42191	1.3
367.24841	2.8
369.23688	1.2
381.22601	2.7
383.21991	1.5
413.21613	1.9
419.24176	2.3
421.25977	1.9
431.29724	1.4
435.27429	1.6
437.25198	4.8
439.26883	7.0
443.28061	3.0
445.29593	1.5
447.27341	15.5
449.30682	1.4
455.26401	5.1
461.28995	32.8
462.28909	2.5
463.30545	3.7
465.28436	17.2
467.31281	1.9
477.28439	2.5
479.29977	80.8
480.30130	4.6
501.32269	1.7
523.33942	3.8
537.88239	1.2
541.35168	40.9
542.35333	3.9
559.36230	100.0
560.36328	6.2
574.70294	1.4
577.37225	12.3
587.32068	1.4
599.30530	3.2
605.33099	1.7
623.34125	6.8
685.38556	1.6
703.39752	3.8
704.22437	1.1
721.41125	3.0
739.42944	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.9
66.84904	0.7
67.05492	29.2
69.03413	8.0
69.07053	13.8
70.82257	2.4
71.05000	3.6
73.02894	2.0
76.36610	0.7
79.05476	35.8
81.03401	39.8
81.07038	29.3
83.04960	11.0
83.08601	22.2
85.02354	0.9
85.02885	18.5
85.06514	2.3
91.03930	4.1
91.05460	32.8
93.07030	23.6
93.76595	0.7
95.04948	17.7
95.08585	14.7
97.02860	6.4
97.06509	8.5
97.10146	26.7
99.04449	0.9
99.08057	1.4
103.05420	0.9
105.07012	30.2
107.04926	7.9
107.08569	37.8
109.02859	2.1
109.06506	4.6
109.10139	8.5
109.19259	0.6
111.04425	2.2
111.08064	8.6
113.06012	1.0
115.05439	1.9
117.06992	6.2
119.04920	1.5
119.08552	21.0
121.06496	2.3
121.10105	10.0
123.04395	0.8
123.08028	4.2
123.11692	3.4
125.09599	22.1
127.03898	4.4
129.06993	8.3
131.08533	16.4
133.06490	1.6
133.10097	17.7
135.08015	4.2
135.11668	3.8
137.05956	1.5
137.09622	2.2
141.06987	1.5
142.07780	2.4
143.08559	3.0
145.04997	0.8
145.06412	1.0
145.10089	12.1
147.04375	2.0
147.08052	2.3
147.11649	17.2
149.09592	12.2
149.10718	1.1
149.13280	1.2
151.11130	1.0
153.09081	2.1
155.08533	1.3
157.10092	11.5
158.90941	0.7
159.11658	6.1
161.13214	2.2
163.06071	0.9
163.11160	4.6
165.12706	3.1
169.10182	1.8
171.10225	1.7
171.11647	1.9
173.11792	1.1
173.13257	2.0
175.11153	11.6
177.12727	0.9
179.14365	1.5
183.11694	2.2
185.13336	0.9
185.36200	0.8
186.11124	0.8
187.11205	1.6
187.14786	0.8
189.11186	12.6
189.12709	1.3
193.12207	29.5
197.13234	1.9
205.12117	0.8
211.13239	40.1
212.13705	0.7
227.12743	40.2
228.13084	0.8
229.14311	1.0
229.19304	1.5
231.13815	0.8
239.17908	1.9
241.10706	0.7
245.13855	2.8
249.14774	0.8
257.18982	6.5
267.15851	18.9
269.17361	1.6
275.20013	34.9
276.20456	1.0
285.16901	40.1
286.17249	1.0
293.21210	2.4
295.91980	0.8
297.22220	1.2
315.23239	1.7
331.22632	4.9
349.23685	35.9
350.23883	1.0
367.24951	1.3
372.64731	0.7
389.18024	1.5
404.94644	0.7
416.95456	0.7
419.24188	2.1
422.13324	0.9
431.29471	1.1
437.25238	6.4
439.27100	0.8
447.27383	1.2
449.30270	2.1
455.26282	9.5
456.26273	0.8
459.27451	2.4
461.28928	2.9
463.30325	1.6
465.28387	0.8
467.31360	1.8
477.28381	1.2
479.29874	1.2
523.34265	4.1
541.35132	48.9
542.35291	2.5
559.36188	100.0
560.36700	4.5
577.37305	12.5
581.29370	1.4
599.30609	3.2
685.38599	0.8
703.40137	1.8
760.32257	0.7
915.11615	0.8
936.52362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.8
66.92047	0.6
67.05497	47.0
69.03423	6.7
69.07062	17.3
69.44859	0.6
69.47640	0.8
69.47964	6.2
71.01306	0.8
71.04984	5.8
71.08597	0.6
73.02901	2.7
79.05482	43.2
81.03407	51.4
81.07047	59.1
82.03745	0.7
83.04973	16.2
83.08605	25.0
85.02894	26.3
85.06520	3.3
91.03954	4.4
91.05469	46.3
93.07032	41.3
95.04957	27.4
95.08595	21.7
97.02869	10.6
97.06521	12.6
97.10159	6.6
98.53838	0.7
99.04445	1.9
99.08076	3.0
105.04494	1.2
105.07014	33.5
107.04945	9.8
107.07850	1.4
107.08580	25.2
109.02853	2.1
109.06508	7.4
109.10138	9.6
111.04447	3.1
111.08069	10.3
113.05993	2.5
113.09615	1.1
115.05470	1.4
117.07002	10.6
119.04940	1.1
119.06109	0.7
119.08566	30.0
120.08865	0.7
121.06475	3.9
121.10122	16.6
123.04415	1.3
123.08058	3.5
123.11713	3.9
124.40382	0.6
125.09642	4.8
127.03887	3.5
128.06219	1.6
129.06987	11.6
131.08551	19.6
133.06508	3.7
133.10110	22.9
135.08038	2.9
135.11687	9.7
137.09608	2.9
137.13187	0.6
139.11169	1.2
141.06978	1.1
142.07744	2.4
143.08542	2.7
145.04930	1.9
145.06413	0.7
145.10097	9.3
147.08044	3.8
147.10480	1.0
147.11668	20.7
149.09596	11.7
149.13268	9.1
150.11366	0.7
151.11186	2.7
153.09070	1.4
155.08528	1.4
157.10101	14.2
157.11292	1.2
159.08067	0.7
159.11653	10.2
161.09648	0.8
161.13239	2.4
163.05936	0.9
163.09906	1.1
163.11125	5.2
165.12741	3.4
169.10078	1.5
170.57936	0.7
171.11662	2.6
173.04457	2.1
173.09494	0.9
173.11870	0.7
173.13203	3.1
175.11163	13.3
177.12709	3.0
179.14285	1.0
181.12242	1.2
183.11656	1.7
185.13243	1.3
187.11232	0.8
187.14824	0.8
189.11137	2.5
189.12718	0.9
193.12227	37.3
195.11957	0.7
195.13829	3.4
197.13289	1.6
211.13255	43.0
227.12712	4.7
229.14348	1.3
229.19394	1.0
233.15199	0.9
239.17937	1.5
247.20540	0.8
249.14784	0.9
255.15869	8.3
257.18915	5.2
267.15884	31.4
269.17456	29.1
275.20023	17.2
285.16931	48.1
286.17303	0.8
293.20917	1.6
331.22772	1.6
339.17923	0.8
349.23682	17.8
367.24762	2.9
369.24014	0.9
413.21545	2.0
421.25861	1.4
433.29221	1.1
437.25156	0.9
439.26801	2.3
443.28030	3.0
447.27377	9.7
455.26212	0.8
459.27310	1.2
461.28952	39.3
465.28421	15.1
467.31277	0.7
479.29990	100.0
480.30423	2.5
513.35992	0.9
522.19397	0.8
541.35272	13.6
559.36230	30.3
560.36353	0.8
577.37238	8.0
587.31610	1.0
599.30627	0.9
605.32874	1.4
609.32404	1.2
623.34088	5.5
646.81738	0.7
685.39441	0.8
703.39972	2.2
721.41290	1.4
777.38324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03884	0.8
69.03394	0.8
69.85025	3.2
74.72059	0.5
81.03407	3.7
85.02892	2.2
89.03897	0.6
91.05470	0.8
95.01320	2.0
98.20797	0.7
103.05450	1.3
105.03366	1.3
109.02854	6.5
109.39306	0.5
119.04895	0.9
120.76841	0.6
121.02842	1.2
123.04382	0.7
130.13507	0.6
131.04903	1.2
133.02832	2.1
137.02301	5.4
145.02895	1.1
146.03633	1.0
147.03358	0.6
147.04315	2.9
157.02852	1.1
159.04361	1.0
161.02309	1.2
163.03897	4.0
164.04640	0.7
165.01802	3.7
165.06975	1.4
167.03450	0.7
167.72276	0.6
169.06436	0.7
170.17000	0.6
173.02245	3.1
174.03159	0.8
175.03838	3.4
177.01819	2.0
179.03355	2.5
181.06477	1.7
185.02321	1.5
187.03874	6.3
191.03403	5.7
192.04152	2.1
193.01305	6.9
193.06485	1.5
195.01080	1.3
195.02867	20.3
195.04457	0.9
197.05933	1.0
201.01784	5.6
202.02597	2.3
203.03336	4.9
205.01334	1.0
205.06488	1.2
207.02852	2.2
208.03629	0.6
209.05971	1.8
213.01776	4.1
213.05383	0.7
215.03252	5.7
217.01277	1.5
218.02045	0.8
219.02812	7.6
219.04448	0.7
219.07910	1.0
220.03653	1.5
221.05962	2.5
223.04060	1.1
225.05478	1.4
229.01285	6.1
230.02007	3.5
231.02829	22.9
232.03471	1.0
233.06114	0.8
235.04167	0.9
237.05391	4.1
241.01292	4.2
241.04817	0.7
245.00743	1.0
247.02232	12.1
247.07433	1.1
248.03117	2.6
249.05458	3.4
251.03545	0.7
251.06984	0.7
253.04932	4.1
255.02869	1.0
255.06339	1.0
257.00739	7.8
258.01556	2.0
259.02338	36.4
260.02975	1.7
261.05737	1.4
263.03351	1.9
263.06937	0.9
265.04858	5.6
267.02985	1.7
267.06467	1.3
268.03592	0.9
269.04462	2.7
271.05942	0.9
273.00272	1.2
273.05649	0.9
275.01758	23.1
275.06927	1.4
276.02600	48.3
277.03320	74.8
278.03839	0.9
279.02917	1.0
279.06534	0.9
281.04379	7.0
283.05942	2.3
285.00320	4.6
287.01755	0.9
287.06946	1.6
289.04803	2.5
291.02869	1.8
291.06342	1.4
293.04422	6.9
295.02292	1.6
295.05795	1.4
296.03470	0.9
297.00690	0.7
297.03723	3.2
299.05386	1.3
300.99911	3.8
301.02985	1.0
302.00494	4.9
303.01291	61.9
303.06848	1.6
304.01514	0.8
305.00964	0.9
305.04370	6.3
307.02405	1.8
307.05847	1.4
309.03931	7.0
311.02139	1.1
311.05368	6.6
313.03662	1.8
315.01538	2.3
315.06470	1.4
317.04443	2.0
319.02426	1.3
319.05930	1.6
320.03055	1.1
321.04083	8.3
322.04391	0.9
323.01886	1.2
323.05521	2.7
324.02570	1.6
325.03180	4.1
327.01392	1.1
327.04990	5.9
329.04559	1.1
331.02545	1.1
331.05969	2.5
333.04022	5.0
333.07581	0.9
335.01797	1.7
335.05469	2.9
337.03378	10.1
338.03918	1.4
339.01230	1.1
339.04944	6.1
341.03174	1.2
343.05759	0.9
345.03854	2.7
347.01514	1.4
347.05414	2.1
349.03387	9.6
349.07458	0.5
351.01425	1.0
351.05008	4.9
353.02917	6.2
355.04608	3.9
359.05554	2.6
361.03336	7.3
361.07184	1.0
362.04013	1.1
363.01025	4.0
363.05057	3.8
365.02814	14.9
366.03342	1.0
367.04480	8.2
371.05530	1.4
373.03351	1.3
374.04370	0.7
375.00812	1.1
375.05328	2.9
377.02750	7.9
377.06558	0.7
379.00497	1.8
379.04547	5.3
380.01474	0.8
381.02164	5.9
383.03867	9.6
385.03571	0.7
387.00687	1.1
387.05249	3.7
389.02777	9.9
389.06863	0.9
390.03604	1.1
391.00119	1.0
391.04858	3.6
392.01221	1.1
393.02280	10.4
393.06573	1.1
394.03055	1.3
395.03903	13.8
397.02383	0.8
399.04889	1.1
401.02939	1.6
402.03992	0.7
403.04834	4.1
404.01367	0.8
405.02115	11.4
407.00095	2.8
407.04813	3.5
408.01074	2.2
409.01749	7.8
411.03574	5.9
413.04636	2.5
415.04544	4.4
417.02310	1.6
419.04117	4.4
421.01514	7.3
422.02670	3.0
423.03357	12.1
426.02121	2.2
427.03119	3.2
429.02295	2.2
431.04721	3.2
433.01019	6.0
435.03479	2.7
437.01202	28.0
438.01816	1.9
439.02890	49.6
440.03256	1.8
441.04376	3.7
443.04187	3.9
445.05978	1.1
446.02536	1.0
447.03723	4.8
449.00436	3.1
451.02887	24.0
452.03366	1.7
453.05643	3.4
455.02353	21.2
456.02457	0.9
457.04248	2.8
459.03671	3.0
461.05127	4.0
463.02698	5.7
464.99619	1.2
465.04700	3.2
467.02069	5.7
468.03308	1.1
469.03964	100.0
470.04333	3.5
471.03494	3.3
472.02835	2.0
475.02725	3.6
477.00073	1.7
477.05167	1.9
479.01971	1.8
481.04514	3.2
483.05756	1.8
485.03342	2.5
487.03006	2.9
489.04498	8.3
491.02591	2.6
493.03979	14.0
495.01822	72.3
496.02219	3.2
497.03589	0.9
499.02908	2.8
505.03958	21.3
506.04294	0.8
507.05688	7.1
509.03394	1.0
511.05002	2.8
513.03094	1.1
517.03955	23.4
518.04883	0.9
523.05042	11.2
535.04999	33.0
536.05121	1.8
537.02698	1.2
553.05951	8.7
561.02667	1.3
571.07306	0.9
579.03741	1.5
597.05011	6.2
615.06055	10.3
633.07166	9.0
643.51678	0.9
935.06744	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
65.06512	1.4
69.03411	2.2
71.62066	2.2
81.03391	5.4
85.02876	6.6
89.19901	1.3
91.05442	1.8
95.01310	2.7
97.02858	2.0
103.05466	2.8
109.02861	5.0
117.94774	1.4
119.04948	1.7
123.04295	1.4
131.04918	2.6
133.02873	2.8
137.02313	5.3
145.02841	2.5
147.04375	5.3
153.01794	2.0
156.46916	1.4
157.02785	1.6
159.04344	1.9
163.03920	6.6
165.01801	3.6
165.06979	2.7
166.02679	1.6
172.03987	1.2
173.02339	3.0
175.03909	5.6
177.01796	1.6
179.03375	3.1
181.06506	1.7
185.02296	2.9
187.03836	11.3
189.01697	2.1
191.03387	6.4
192.04161	2.7
193.01286	6.3
193.06404	1.6
195.02884	16.6
197.05893	1.9
199.03850	1.3
201.01788	8.0
202.02487	2.1
203.03351	6.8
207.02817	2.5
213.01846	6.5
215.03421	8.8
217.01172	1.7
219.02815	9.3
220.03670	1.5
221.06024	3.6
222.58731	1.3
223.03946	2.5
225.05472	3.6
229.01251	11.6
230.02115	3.7
231.02831	36.2
231.08047	2.0
233.05991	1.9
237.05513	4.6
239.03285	2.4
241.01265	5.5
241.05040	2.2
245.00591	1.3
247.02319	18.3
247.07394	1.8
249.05412	2.8
250.06157	1.4
251.03589	1.9
253.04964	6.0
255.02728	1.6
255.06429	1.9
257.00781	9.5
258.01483	1.8
259.02350	53.3
260.02692	1.7
261.05505	3.0
263.03436	2.5
263.06897	2.4
265.04944	7.2
267.02881	1.9
267.06317	1.5
269.04413	4.4
273.00156	2.9
273.05273	2.3
275.01767	26.7
275.06747	2.1
276.02606	40.7
277.03348	100.0
278.03641	1.4
279.02814	3.0
281.04312	10.8
283.05942	2.7
285.00278	8.5
289.05106	3.6
291.06400	2.5
293.04538	7.1
295.02664	2.8
295.06009	3.5
297.03918	6.6
299.01898	2.5
299.05502	1.4
300.99753	4.1
301.02982	1.9
302.00589	3.2
303.01285	85.6
303.06699	2.8
304.01566	2.5
305.04279	7.8
307.02298	4.6
307.05899	3.4
309.03842	10.8
311.01987	1.6
311.05411	5.1
313.03143	1.9
315.01361	3.9
315.06476	2.2
317.04324	5.2
319.05917	4.5
321.03592	11.1
323.01733	4.5
323.05582	4.0
324.02643	2.2
325.03372	8.7
326.03937	1.8
327.01474	1.8
327.04874	9.5
331.02298	1.6
331.05951	3.5
333.03903	7.5
334.04407	1.6
335.01791	4.1
335.05179	2.5
337.03326	18.1
337.07001	2.0
339.01361	2.8
339.04974	7.3
341.03586	1.6
343.05890	1.4
345.03860	2.1
347.01651	3.1
347.05463	3.4
349.03412	11.8
351.01321	4.1
351.04971	4.8
353.02847	15.9
355.04443	7.6
357.03983	1.6
359.05453	4.4
361.03488	8.0
363.01251	10.0
363.05127	4.2
365.02869	24.1
366.03809	1.7
367.04605	10.0
369.02768	1.6
371.05289	1.9
373.03598	3.4
375.05197	6.8
377.02652	8.5
377.06860	1.7
379.00500	6.3
379.04523	4.9
381.02359	9.1
383.03961	12.2
385.03186	2.3
387.05103	6.9
389.02625	9.9
391.00143	2.8
391.01230	1.9
391.04800	8.8
393.02231	14.9
395.03952	12.1
399.04947	1.7
401.02832	2.5
403.04614	6.7
405.02200	12.5
407.00140	5.4
407.04321	3.7
408.00909	6.6
409.01712	14.6
411.03293	7.1
413.03741	2.0
415.04431	5.6
417.02371	2.6
419.04260	9.5
421.01465	12.4
422.02356	3.2
423.03381	10.3
426.01999	4.8
427.02942	8.2
429.02206	2.5
430.02777	1.9
431.03864	5.0
433.01501	4.6
433.06448	2.5
434.98779	1.7
435.03510	4.0
436.95233	2.4
437.01263	67.6
438.01624	4.7
439.02902	68.1
440.03299	2.0
441.04193	4.3
443.03854	8.6
446.02090	1.9
447.03537	8.4
449.01157	4.4
451.02914	27.0
453.00635	4.7
453.04950	3.7
454.01538	2.6
455.02377	49.1
457.03467	4.1
459.03485	6.9
461.04816	5.8
463.03207	9.2
464.99576	2.2
465.04547	5.4
467.02063	10.4
468.02832	1.7
469.04013	86.6
470.04114	2.6
471.03253	5.8
472.02786	3.7
475.02863	6.5
477.04556	4.2
479.01987	2.9
480.99680	3.6
481.04678	3.2
485.03339	5.0
487.02875	5.2
489.04477	13.3
491.02182	2.6
493.03970	31.6
495.01846	53.9
496.02191	2.6
499.02734	3.5
504.96823	3.0
505.03976	50.4
506.04343	1.6
507.06009	8.0
511.04727	2.4
513.02625	1.8
517.03967	38.3
523.04889	15.2
535.04968	50.2
535.13043	2.6
549.02704	1.9
553.06335	9.0
561.02612	3.6
571.06818	3.1
579.03613	5.5
597.04858	11.4
615.06152	16.5
633.07324	11.4
831.33032	1.4
860.51709	1.4
935.06769	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	934.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	2.9
67.05493	39.4
69.03419	11.6
69.07057	28.4
70.58341	3.5
71.01323	0.9
71.04968	5.9
73.02882	3.5
79.05482	45.0
81.03404	48.1
81.07046	49.4
83.01345	1.7
83.04971	15.8
83.08607	24.7
85.02418	1.7
85.02892	23.7
85.06499	3.8
91.03951	4.9
91.05465	43.9
92.05791	1.1
93.07030	39.6
95.01283	0.9
95.04344	1.7
95.04951	25.1
95.08593	20.6
97.02876	15.1
97.06524	9.0
97.10155	16.1
99.04421	2.4
99.08070	1.8
103.05427	1.4
105.04501	0.9
105.07016	35.5
107.04942	15.0
107.08582	30.6
109.02875	2.5
109.06497	7.8
109.10141	14.1
111.04406	4.2
111.08071	9.7
113.05984	1.9
115.05436	2.6
117.07009	12.0
119.04935	1.9
119.08566	29.0
121.06492	5.3
121.10133	14.5
123.04411	1.4
123.08045	7.8
123.11679	3.1
124.08362	1.0
125.05957	2.1
125.09612	15.1
127.03891	3.0
127.07488	0.9
128.06227	1.3
129.06975	13.3
131.08549	19.6
133.06491	5.0
133.10103	23.1
135.08052	5.2
135.11671	7.7
137.09578	4.1
139.07443	1.0
141.06960	1.4
142.07744	2.1
142.19403	0.8
143.08534	4.4
145.04893	2.6
145.06473	1.3
145.10095	15.3
147.04419	1.8
147.08015	9.6
147.11671	14.0
149.09604	8.7
149.13202	3.3
151.11195	5.3
151.68764	0.8
153.09077	1.9
153.12755	2.5
155.08574	1.4
157.10088	12.3
159.08017	1.6
159.11668	6.1
161.09578	3.9
161.13280	1.5
162.10332	0.9
163.05991	2.6
163.11172	10.8
165.09114	1.8
165.12729	3.5
168.06424	0.9
169.10095	1.1
169.12164	0.9
171.10164	1.3
171.11633	1.9
173.04483	0.9
173.09621	2.8
173.13283	2.0
175.11160	11.0
177.09140	1.2
177.12646	2.1
179.10646	1.0
183.11621	0.9
185.13255	2.2
187.11108	1.0
189.11217	5.2
189.12643	1.1
191.10487	1.3
193.12213	31.3
194.12656	1.0
195.13785	1.2
197.13191	1.5
199.11142	1.1
205.12175	1.4
209.11678	2.5
211.13254	44.1
223.13231	14.8
227.12735	17.5
229.14340	2.0
233.15274	1.1
239.18004	1.0
245.18890	1.7
249.14795	4.7
253.14307	11.1
257.18939	3.0
263.20035	1.5
266.74026	0.9
267.15872	37.3
269.17529	4.7
273.15448	1.1
273.18427	19.0
275.20026	12.3
283.12894	0.6
283.15344	27.8
285.16916	47.9
287.20090	0.9
291.19498	87.6
292.19882	1.7
293.21045	1.3
313.21649	1.2
319.09082	0.9
329.65976	1.0
331.22647	1.4
347.22165	5.7
349.23724	12.3
365.23184	53.8
366.23282	1.5
437.25314	5.6
445.25876	2.7
453.24652	4.6
455.26300	1.7
459.27390	3.1
463.26846	6.3
465.29361	1.4
477.28473	21.6
477.35226	1.1
483.30148	1.2
493.27823	1.5
495.29288	4.2
529.35175	1.5
539.33649	8.0
557.34662	87.5
558.34924	5.4
575.35706	100.0
576.35858	5.7
593.36627	1.6
610.58386	1.0
614.06213	1.0
701.38068	1.2
719.39679	2.0
884.96875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.6
67.05497	43.6
67.05859	1.5
69.03416	8.7
69.07059	14.5
69.61349	4.6
71.04990	6.4
73.02876	2.2
73.06503	0.8
77.03883	0.9
79.05482	37.9
81.03408	53.1
81.07045	53.8
82.07339	0.9
83.04971	18.4
83.08609	20.2
85.02892	23.3
85.06152	0.5
85.06527	5.2
86.69895	0.7
87.04443	0.8
91.03944	5.3
91.05470	57.5
93.07030	37.2
93.81042	0.5
95.04368	1.4
95.04955	26.7
95.08595	20.1
97.02885	7.6
97.06523	6.6
97.10163	6.3
98.21460	1.5
99.04405	2.5
99.08052	1.9
101.06030	0.6
103.05413	1.2
105.03418	0.6
105.04473	1.3
105.07018	47.0
106.07314	0.9
107.04938	11.1
107.08579	33.7
108.08887	0.7
109.02823	1.2
109.06502	10.4
109.10141	39.4
111.04399	2.9
111.07363	0.7
111.08062	10.4
113.05954	2.7
115.05391	2.0
115.07491	0.9
117.07008	7.0
119.04935	1.2
119.08572	22.9
121.05785	0.6
121.06503	8.1
121.10130	11.2
122.10439	0.7
123.04391	1.5
123.08057	5.3
123.11684	8.6
125.05939	0.9
125.09639	3.7
127.03873	1.9
127.07502	3.1
128.06165	1.5
129.05490	0.9
129.06996	10.6
131.08546	20.3
133.06476	6.4
133.10114	62.5
134.10455	1.1
135.08025	7.2
135.11670	4.7
137.09593	3.7
137.13187	0.6
139.07512	1.3
141.06956	1.1
142.07700	2.7
143.08560	4.4
145.04945	1.8
145.06458	0.8
145.10109	9.2
147.08020	6.4
147.11665	16.1
149.08521	1.1
149.09601	11.4
149.13193	1.0
151.11162	25.1
155.08504	0.9
157.10104	14.0
159.07986	2.5
159.11656	2.7
161.09596	6.9
161.13197	1.2
163.05986	0.8
163.11151	4.1
165.12816	3.1
169.10077	1.1
169.12230	4.7
171.11624	3.9
173.09599	1.8
173.13264	1.2
175.11162	18.4
177.09061	1.9
177.12674	1.6
179.10614	2.0
181.12184	1.0
183.11684	1.1
185.09586	0.8
185.13164	1.2
187.11157	0.9
189.11169	1.1
189.12724	1.6
193.12210	35.8
195.13733	0.9
199.11171	1.2
203.14304	0.8
205.12238	1.6
211.13264	56.8
215.12714	1.5
223.13193	3.1
227.12752	2.0
227.17981	1.7
229.14226	0.9
245.19014	3.9
249.14781	1.7
251.12747	2.3
253.14320	83.4
254.14767	0.7
255.17410	2.0
263.20013	2.8
267.15878	24.7
269.17310	0.9
271.15408	2.2
273.18463	23.0
274.18835	0.7
275.20032	1.4
283.15427	2.8
285.16931	55.0
287.20056	1.6
291.19516	33.3
293.44904	0.7
299.15045	0.7
309.17181	0.8
309.20660	2.4
329.21097	1.3
347.22137	11.1
365.23178	36.4
383.24243	1.2
389.23129	0.9
445.25879	4.6
459.27283	1.1
461.25061	0.8
463.26852	22.6
465.29977	1.6
477.28217	3.7
479.26450	1.8
481.27930	29.7
483.31018	1.5
495.29095	1.2
499.30899	0.7
517.31689	0.9
529.35510	1.0
539.33588	9.2
557.34692	47.5
558.35144	1.2
575.35706	100.0
576.35919	2.7
593.36346	2.0
719.40173	0.8
737.41205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6287
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.5
65.61361	0.3
67.05494	29.1
68.05805	0.3
69.03419	2.1
69.07056	10.3
69.07405	0.4
69.93452	0.8
69.93847	0.8
71.04945	0.9
71.08619	16.8
71.66003	0.2
73.02905	3.5
73.46348	0.3
75.04453	0.4
77.03897	0.3
79.05479	16.4
81.03370	1.1
81.07043	37.1
83.04934	1.0
83.08603	8.7
85.02891	14.3
85.06500	1.0
85.10168	10.5
87.04425	0.3
89.05972	1.4
91.03941	10.7
91.05461	8.5
93.07026	22.2
95.04956	2.2
95.08591	33.1
96.04429	0.5
96.08942	0.3
97.02284	0.4
97.02875	7.3
97.06472	1.2
97.10148	5.2
99.04392	1.1
99.08036	1.0
99.11696	0.5
101.06045	0.3
103.07545	0.7
105.07010	6.3
107.08578	13.9
109.02833	0.8
109.06501	0.6
109.10139	15.5
110.49398	0.3
111.08012	0.8
111.11675	0.8
113.09599	0.5
115.03874	0.6
115.05431	0.3
117.05442	0.3
117.06986	2.8
119.07799	0.4
119.08566	6.9
121.10119	12.3
123.08000	0.4
123.11684	6.6
125.09559	0.9
125.13216	0.5
127.03067	0.4
127.03901	4.4
129.06873	0.4
131.07722	0.4
131.08549	6.1
133.10114	5.4
135.07956	0.3
135.10672	0.5
135.11673	8.7
137.09535	0.6
137.13225	3.0
139.11105	0.4
145.04935	5.4
145.10094	4.6
147.11659	4.8
149.09540	0.4
149.13225	6.8
151.14810	0.8
153.12732	0.4
159.11650	4.3
161.13243	3.4
163.04700	0.5
163.06000	7.4
163.14786	4.0
165.12746	0.4
165.16347	0.5
171.11592	0.4
173.13231	4.4
175.14769	1.6
177.12727	0.8
177.16290	1.3
179.14284	0.5
179.52014	0.3
180.08678	0.4
185.13095	0.4
187.14778	2.3
199.14771	0.3
201.16351	1.1
204.08510	0.3
205.15903	0.5
208.95674	0.3
215.17888	0.3
217.19490	0.3
219.17491	0.5
221.22574	0.5
233.22609	1.4
239.23657	2.7
243.21033	8.8
257.24783	1.8
261.22107	37.7
262.22415	0.9
279.23080	1.0
313.27310	100.0
314.27609	2.3
317.24701	4.5
333.24246	0.4
335.25742	80.5
336.26038	2.2
339.34750	0.3
353.26819	0.5
497.31360	0.4
499.44934	1.1
573.48700	44.4
574.49030	2.5
591.49695	10.6
592.49939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.6
67.05499	34.7
69.03413	1.8
69.06718	0.8
69.07063	11.4
70.92603	1.2
71.04977	1.5
71.08624	20.3
71.46050	0.6
73.02905	4.1
79.05485	18.5
81.03394	0.7
81.07048	40.2
83.04980	1.1
83.08610	9.9
85.02896	16.1
85.06528	1.3
85.10174	11.8
87.04451	0.5
89.06023	1.4
91.03397	0.7
91.03946	11.3
91.04907	0.5
91.05470	11.0
93.07034	25.8
95.04938	1.8
95.08597	39.0
97.02885	8.3
97.06503	2.0
97.10155	5.1
99.04438	0.8
99.08086	0.7
99.11733	1.0
103.07574	1.3
105.06369	0.7
105.07014	7.4
105.08109	0.6
107.08579	15.9
109.02875	0.9
109.06490	1.2
109.10146	18.1
111.11655	0.8
114.75352	0.5
115.03938	0.7
115.27419	0.5
117.06984	3.1
119.08572	8.1
121.10132	13.8
121.11006	0.7
123.07999	0.8
123.11686	6.7
125.09605	1.1
127.03909	4.7
131.08554	6.2
133.10121	5.9
135.11676	12.6
137.09621	0.6
137.13223	2.4
145.04964	4.9
145.10054	4.7
147.11667	5.1
149.13251	6.8
151.14760	0.8
159.11658	4.6
161.13234	3.3
163.05997	7.4
163.14813	4.5
173.13235	5.0
175.14851	1.4
177.16357	1.8
187.14781	2.0
233.22588	1.9
239.23709	2.6
239.25783	0.5
243.21056	8.6
257.24762	1.7
261.22110	37.3
262.22464	1.1
279.22974	0.6
299.23651	0.8
313.27328	100.0
314.27640	2.0
317.24719	5.3
335.25763	71.6
336.26047	1.6
361.22375	0.6
389.68301	0.5
476.06827	0.6
573.48706	41.6
574.48889	1.9
591.49756	11.1
592.49640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	2.0
65.10114	0.6
67.05494	40.0
69.03422	6.0
69.07058	12.8
70.68037	2.5
71.04981	4.4
73.02905	3.9
77.03903	1.1
77.60657	0.7
79.05480	41.6
81.03407	40.7
81.07043	46.4
82.07396	1.0
83.04970	12.4
83.08130	1.4
83.08604	18.9
85.02888	24.2
85.06513	2.8
87.04435	0.7
91.03943	5.1
91.05466	59.3
92.05785	1.0
93.07029	46.4
94.07349	0.9
95.04953	21.3
95.08595	25.9
97.02885	7.6
97.06499	5.2
97.10154	6.1
99.04408	0.9
99.08069	2.8
103.05477	1.4
105.04520	0.9
105.07015	52.2
107.04935	6.9
107.08575	25.6
109.02852	1.0
109.06515	6.5
109.10136	12.3
111.04440	2.5
111.08073	8.2
113.05988	1.9
115.05440	2.3
117.06994	12.1
119.04925	0.7
119.08559	42.3
121.06502	3.2
121.10130	21.3
123.08055	3.5
123.11661	4.5
125.09607	4.2
127.03885	2.5
128.06200	2.1
129.05493	1.4
129.06985	15.9
130.07790	0.8
131.08549	24.9
133.06471	3.0
133.10112	36.5
135.08037	2.3
135.11664	10.9
137.09581	2.4
139.11162	0.7
141.06976	2.4
142.07721	3.4
143.08533	9.0
145.04938	1.9
145.06483	1.2
145.10097	15.4
145.11261	0.9
147.08028	2.5
147.11667	31.7
148.12109	0.9
149.09587	7.4
149.13245	7.5
151.11179	1.6
155.07301	0.7
155.08537	3.0
157.10095	16.6
159.08038	0.9
159.11661	13.1
161.09554	1.4
161.13219	14.8
163.06010	2.5
163.11134	4.5
163.14839	2.3
165.12735	2.6
167.08528	1.2
169.10130	2.8
171.11641	9.1
173.09496	0.8
173.11804	0.8
173.13208	8.7
175.11188	10.5
175.14775	6.9
177.12721	1.8
179.14326	0.8
181.10103	1.9
181.12051	1.0
183.11642	3.0
184.07330	0.9
185.09669	0.7
185.13210	6.9
187.14824	2.7
189.11192	2.0
189.12714	1.6
189.16373	1.2
193.12218	26.6
195.11671	1.2
195.13713	0.9
197.13240	2.2
199.11313	0.7
199.14821	3.8
201.16382	0.8
203.14352	1.1
207.11751	0.9
209.13379	0.9
211.13243	40.0
213.16452	1.9
215.14488	0.8
217.15849	1.2
217.19360	0.9
221.13248	0.8
227.12712	7.2
229.14314	2.8
231.17426	1.5
231.21094	2.0
237.16318	0.7
239.17952	1.4
241.19507	16.9
241.21999	1.1
243.21092	1.0
255.16013	0.9
257.18979	1.9
259.20538	41.3
261.22107	1.2
265.14447	1.8
267.15866	16.0
269.17352	5.3
271.20831	1.2
275.20123	4.4
277.21579	2.0
281.19012	0.7
283.15314	4.8
283.20572	1.5
285.16907	43.5
286.17285	1.7
297.22064	1.7
299.23767	1.1
301.21667	1.7
313.21722	1.0
315.23175	5.3
316.62262	0.8
317.33032	0.7
331.22519	1.1
333.24185	36.8
335.25876	1.5
346.82138	0.8
349.23682	2.9
351.25208	1.5
375.25558	0.9
415.30087	1.7
421.25766	1.4
423.32272	1.0
431.28806	0.8
433.30997	5.5
435.27771	0.9
439.26990	1.6
449.28900	1.5
451.32108	6.7
463.30515	3.0
469.33099	4.6
487.34509	1.2
489.33200	1.2
499.33505	1.0
507.34711	3.1
515.37561	3.7
525.35699	33.9
526.36359	1.6
543.36731	100.0
544.37048	3.8
561.38153	7.2
573.37524	1.1
579.35736	0.8
651.38678	2.1
669.39777	2.4
687.40924	2.5
705.41986	1.9
822.11737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.4
67.05495	45.2
68.18665	1.2
69.03422	3.8
69.06703	1.7
69.07058	15.3
70.22197	1.2
71.04984	4.9
71.24750	2.7
73.02889	3.9
79.05482	42.5
81.03043	1.0
81.03406	33.7
81.07044	46.0
83.04965	10.1
83.08604	18.9
85.02886	20.4
85.06544	4.2
90.72436	1.3
91.03939	6.5
91.05466	56.3
91.43134	1.1
93.07030	42.7
95.04958	18.4
95.08588	24.6
97.02876	6.9
97.06514	5.6
97.10150	6.8
99.04483	1.6
99.08086	3.2
99.25744	1.3
105.04517	1.2
105.07015	51.3
107.04942	6.0
107.08574	28.4
109.06518	7.3
109.10136	11.6
111.04432	1.9
111.08067	7.1
113.05981	2.5
115.03955	1.4
115.05458	2.3
117.06993	17.2
118.99847	1.3
119.04927	1.8
119.08565	43.8
121.06503	4.0
121.10136	20.5
123.08060	3.6
123.11686	4.5
125.09660	2.1
127.03939	2.9
128.06255	1.3
129.05450	2.6
129.06979	14.4
131.08540	25.0
133.06485	1.6
133.10112	36.6
135.08057	3.3
135.11676	13.0
137.06003	1.3
137.09625	1.4
141.06989	1.4
142.07864	1.8
143.08572	7.9
145.04936	2.6
145.10101	17.6
147.08040	3.8
147.11661	35.9
147.12772	2.4
149.09607	7.8
149.13197	8.0
151.11150	1.2
155.08534	2.5
157.10118	17.4
159.11668	16.6
161.13245	19.6
163.06088	1.4
163.11176	4.6
163.14871	1.5
165.12735	2.6
169.10085	3.1
171.11624	9.0
173.11865	1.9
173.13246	7.7
173.54657	1.2
175.11192	10.2
175.14819	6.8
177.12756	2.1
183.11597	2.3
185.13239	6.1
187.14891	3.1
189.11179	1.8
193.12207	21.8
197.13217	2.0
197.41260	1.3
199.14824	4.9
201.16461	1.4
209.13448	2.0
210.54904	1.2
211.13231	28.3
213.16414	1.8
217.19516	1.4
227.12718	3.3
229.14322	2.8
231.21098	4.6
233.15302	1.8
241.19521	16.7
241.50594	1.2
249.15044	1.3
253.14270	1.6
257.19098	3.4
259.20535	59.3
267.15903	12.3
269.17447	8.2
275.20071	4.1
283.15417	4.8
283.20560	1.6
285.16919	34.0
289.21591	1.4
297.22250	2.1
299.23737	2.5
315.23019	6.0
333.24176	46.4
334.24454	2.4
339.22940	1.3
340.97226	1.2
346.17624	1.3
349.24017	2.3
357.24072	1.3
415.29868	1.9
423.32510	1.6
433.31104	5.8
451.32040	8.2
463.30566	4.2
469.32980	4.4
507.34763	3.0
515.37213	2.3
525.35663	34.1
526.35938	2.1
543.36719	100.0
544.37115	4.7
561.37866	6.8
651.38354	3.1
669.40485	2.0
687.40833	2.7
705.41602	1.5
888.26422	1.5
920.53510	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.5
66.46969	0.5
67.05493	47.9
68.05829	0.8
68.94575	0.4
69.03416	5.9
69.07053	13.5
69.35706	5.2
71.01336	1.2
71.04980	4.6
71.08604	0.8
73.02908	7.8
77.03901	0.9
79.05478	38.2
80.05795	0.6
80.06251	0.9
81.03406	13.5
81.07043	47.4
82.03776	0.5
82.04195	4.4
83.01323	0.6
83.04965	11.0
83.08138	0.7
83.08606	12.5
84.05761	0.8
85.02890	19.2
85.06515	2.0
86.19984	0.5
87.04446	1.0
91.03941	9.1
91.05463	28.1
93.07027	41.4
94.07807	1.3
95.04955	13.9
95.08588	34.4
96.04475	0.6
96.05746	0.6
97.02880	10.5
97.06506	7.2
97.09525	0.8
97.10151	12.6
98.07299	5.2
99.04437	1.5
99.08051	1.9
101.02312	0.7
101.06003	1.0
103.05449	0.7
105.04498	0.5
105.07012	19.1
107.04922	3.7
107.08573	22.6
108.09387	0.5
109.02839	1.2
109.06496	3.9
109.10134	18.7
111.04399	1.6
111.08065	4.9
113.06005	1.1
113.09596	0.5
115.03898	0.9
115.05415	0.8
116.04694	13.5
117.05486	0.5
117.06998	7.2
119.08559	17.0
121.06466	1.5
121.10125	18.2
123.08048	4.8
123.11699	4.4
125.05880	0.6
125.09608	12.8
126.10316	0.6
127.03896	3.5
127.07518	0.9
127.11163	0.9
128.06178	0.5
129.05458	32.3
129.06886	4.6
131.08539	13.0
133.06432	0.6
133.10109	14.2
135.08037	3.2
135.11676	12.8
136.08833	0.8
137.09576	2.8
137.13222	1.5
139.11072	1.0
141.07008	0.6
142.07782	1.1
143.07002	8.1
143.08539	2.1
143.09538	0.4
143.10648	1.1
145.04936	3.5
145.10112	8.8
147.08043	1.5
147.11650	10.0
149.09596	3.1
149.13235	5.4
151.11140	1.2
153.09096	1.5
153.12723	1.3
155.08505	0.7
155.10667	0.7
157.08569	14.7
157.10086	5.8
159.11632	5.8
161.13219	4.8
163.05991	4.1
163.11176	3.7
163.14792	3.0
165.12721	1.8
165.87856	0.5
169.10107	0.8
171.06494	0.5
171.10136	5.0
171.11661	2.0
173.09605	0.9
173.11714	1.8
173.13239	5.1
175.11137	4.7
175.14815	2.3
177.12729	1.0
177.16399	0.7
181.12239	1.6
183.11697	1.2
185.11665	1.8
185.13251	1.7
187.14780	1.9
189.11201	7.4
189.12778	0.6
189.16229	0.7
191.10625	0.6
191.14221	0.9
193.10570	0.8
193.12210	8.2
194.12547	0.7
195.13724	0.6
197.13240	0.8
199.13258	3.5
199.14830	1.2
200.13998	2.6
201.16396	0.6
203.17931	0.7
205.15846	1.2
209.11636	1.1
210.12401	1.1
211.13246	7.4
211.14975	0.7
213.11150	1.0
213.14674	0.6
217.14256	0.9
227.12733	11.9
227.14862	0.8
228.13406	0.7
229.14264	3.3
241.19461	1.0
243.21075	2.7
251.20216	0.6
255.15913	1.4
259.20505	2.7
261.22079	10.4
262.22437	0.5
267.15817	5.4
269.17465	0.8
269.22787	0.5
277.21622	4.9
283.15359	2.3
284.15884	0.7
285.16867	3.4
301.16406	100.0
302.16699	2.0
315.23135	1.8
317.24759	1.8
327.23221	0.7
333.24176	1.5
335.25739	55.2
336.26266	2.4
351.25186	2.0
353.26987	0.5
389.26730	0.9
433.29880	0.6
435.32529	0.6
446.91229	0.5
451.31848	1.3
453.33417	0.7
457.28635	0.5
459.34790	0.5
473.32813	0.5
487.34357	0.8
489.35376	0.9
527.37238	7.7
543.36432	2.6
544.37482	1.2
545.38251	3.5
561.37738	48.8
562.37830	2.3
579.39154	2.2
594.67462	0.5
625.35846	0.5
938.93646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.5
66.04710	0.4
67.05493	49.4
68.05804	0.4
69.03418	4.9
69.07056	12.9
70.04192	0.6
70.94875	0.3
71.01340	0.9
71.04980	3.5
71.08625	0.6
71.54215	0.4
71.54528	0.4
71.80859	0.4
73.02907	7.1
77.03932	0.9
79.05479	39.8
80.05811	0.4
80.06266	1.0
81.03409	13.0
81.07043	50.8
82.04189	2.5
82.07368	0.4
83.04475	0.6
83.04967	9.0
83.08605	11.3
84.02117	0.5
84.05760	0.5
85.02888	17.2
85.05750	0.3
85.06535	2.0
87.04448	0.4
91.03938	9.0
91.05464	27.5
92.05757	0.5
92.06278	0.6
93.07027	41.6
94.07834	0.9
95.04956	12.2
95.05544	0.7
95.08588	34.9
96.04469	0.4
96.05747	0.5
97.02876	9.1
97.06513	6.4
97.10153	9.8
98.07314	4.0
99.04449	1.5
99.08079	1.8
101.02341	0.5
101.06038	0.9
103.03972	0.6
103.05465	0.8
104.06202	0.3
105.04508	0.7
105.07010	20.3
107.04945	3.3
107.08576	25.8
108.09431	0.4
109.02876	1.1
109.06509	3.6
109.10136	18.8
110.07283	0.4
111.04443	1.3
111.08067	4.6
111.11671	0.4
113.06007	0.8
113.09617	0.4
115.03917	0.7
115.05430	0.9
116.04688	8.5
117.05530	0.6
117.06995	7.8
119.08562	16.4
120.09407	0.7
121.06522	2.2
121.10121	19.4
123.08037	4.7
123.11684	4.8
125.09610	11.2
125.10535	0.6
126.10424	0.5
127.03886	3.4
127.07542	0.7
127.11207	0.9
129.05458	21.4
129.06912	3.9
130.06232	0.3
130.07744	0.8
131.08545	13.4
131.64778	0.3
132.09401	0.5
133.06517	1.2
133.10104	14.7
134.03632	0.4
134.10699	0.4
135.08034	1.9
135.11671	11.5
136.08833	0.7
137.05991	0.4
137.09589	2.3
137.13231	1.3
139.11156	1.1
142.07765	0.6
143.06995	4.4
143.08551	1.9
143.10657	1.0
145.04938	3.6
145.06429	0.5
145.10098	11.2
147.08044	0.6
147.11664	11.3
149.09624	2.9
149.13237	5.9
151.11182	1.8
153.09070	1.0
153.12709	1.6
155.08539	1.7
157.08595	9.7
157.10112	5.5
158.05740	0.7
159.11662	5.5
160.12326	0.4
161.09598	0.5
161.13217	5.6
163.06029	4.6
163.11147	3.3
163.14786	2.8
165.12727	1.9
169.10132	0.7
171.06531	1.1
171.07979	0.5
171.10156	3.7
171.11687	1.5
173.09583	0.9
173.11717	1.7
173.13268	5.7
175.11195	3.1
175.14761	1.9
177.12712	0.6
177.16383	1.0
179.14301	0.4
181.12239	0.9
183.11671	0.8
184.07283	0.6
185.11742	1.4
185.13274	2.2
187.14790	2.9
189.11174	5.6
189.12700	0.6
189.16330	1.0
191.10651	0.8
191.14264	0.6
192.11258	0.4
193.12193	8.3
193.13812	0.6
195.13770	0.5
197.13260	0.9
199.09647	0.5
199.13255	2.7
199.14804	1.1
200.14034	1.5
201.14757	0.7
201.16319	0.9
203.14383	1.0
203.17799	0.4
205.15924	0.7
209.11662	2.2
209.13446	0.5
210.12328	0.4
211.13219	6.2
213.11147	0.5
213.16484	0.8
215.17952	0.6
217.14230	0.6
217.16040	0.5
219.13718	0.4
221.15411	0.4
225.16347	0.4
227.12718	7.9
229.14331	3.6
231.21231	0.4
233.15407	0.4
233.22472	0.5
241.19472	1.0
243.21027	4.1
246.62730	0.4
247.16878	0.4
251.19931	0.6
255.15785	2.1
259.20520	2.4
261.22104	11.4
265.14340	0.4
267.15845	6.3
269.17307	0.6
275.20172	0.9
277.21585	6.0
279.23196	0.6
283.15436	4.2
283.18588	0.5
285.16846	3.2
287.19913	0.4
293.20999	0.4
297.22177	0.7
299.23587	0.7
301.16409	61.5
302.16992	0.9
311.18573	0.5
315.22952	2.1
317.24731	1.9
327.23102	0.7
333.24243	1.3
335.25739	73.0
336.26117	1.5
351.25348	2.5
356.79352	0.4
376.89453	0.5
389.26886	1.1
421.26410	0.4
432.78455	0.4
433.30435	0.9
435.32663	1.1
451.32126	1.0
453.28186	0.5
469.33112	0.6
473.32907	0.7
477.36084	0.5
479.30054	0.4
487.33908	0.8
489.35483	1.4
516.38037	0.4
525.35541	1.0
527.37244	7.0
528.37500	0.7
543.36682	6.4
544.37268	1.0
545.38110	3.9
561.37762	100.0
562.38165	4.0
579.38922	1.8
633.42804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.2
67.05497	18.4
69.03426	2.1
69.07056	15.3
71.04991	2.2
71.62584	0.4
73.02894	0.5
73.06495	0.4
77.03905	0.4
79.05479	18.0
81.03406	18.5
81.07043	29.5
82.07381	0.4
83.04967	6.9
83.08609	7.8
85.02419	0.6
85.02895	8.1
85.06515	0.7
91.03944	1.7
91.05466	33.4
93.07029	19.2
95.01305	4.8
95.04958	10.5
95.08592	16.6
97.02871	2.8
97.06517	15.3
97.10159	2.4
99.04483	0.4
99.08062	0.7
101.21465	0.4
103.05426	1.0
105.07014	45.7
106.07323	0.9
107.04936	10.3
107.08576	9.8
109.02795	0.4
109.06528	3.8
109.10136	4.9
111.04429	1.5
111.08059	4.2
113.05994	0.7
113.09628	1.0
113.48719	0.4
115.05450	0.8
117.07007	7.7
119.04958	0.5
119.08562	23.6
120.08801	0.4
121.06483	2.0
121.10117	6.9
123.04398	0.7
123.08060	3.1
123.11671	1.8
125.09565	1.7
127.03898	0.7
127.07561	0.4
129.06981	4.5
130.07799	0.4
131.08548	13.9
131.09502	0.8
133.06474	1.5
133.10112	26.5
134.10504	0.4
135.08057	1.9
135.11674	3.3
137.05969	0.5
137.09637	1.6
139.07520	1.2
141.06941	1.1
142.07774	0.9
143.08537	1.8
145.06474	1.4
145.10092	9.5
147.08052	1.7
147.11674	14.1
149.09596	5.9
149.13232	2.4
151.11160	1.2
155.08508	1.4
157.10104	6.3
159.11671	6.4
161.09564	0.9
161.13199	3.6
163.11169	3.5
165.09142	1.2
165.12772	1.1
166.98204	0.3
169.10146	1.5
171.11586	1.9
173.13260	1.8
175.11162	3.9
177.12759	2.5
179.14285	8.3
183.11674	1.4
184.07462	0.4
185.13228	0.5
187.11186	1.5
187.14844	0.4
193.12218	9.5
195.13820	0.4
197.13168	0.8
201.12704	0.4
205.11989	0.4
211.13243	9.2
211.15176	0.5
215.18321	0.4
219.17435	1.8
227.12810	0.6
229.19540	0.9
233.15283	0.6
239.18027	0.9
247.16757	0.4
247.20584	1.4
249.14944	0.5
257.18915	2.8
267.15863	11.3
269.17450	0.8
275.20020	42.3
276.20337	1.1
279.15906	2.4
283.15277	0.5
285.16931	18.8
293.21066	2.1
349.23682	26.4
350.24268	1.2
447.27109	0.4
461.28973	0.9
479.29620	0.7
541.35193	52.5
542.35284	3.2
559.36212	100.0
560.36578	4.6
577.37469	1.4
587.66388	0.4
703.40778	2.2
879.89111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.3
67.05497	41.0
69.03402	2.9
69.07052	8.4
70.93615	2.2
70.93990	2.5
71.04971	2.7
73.02897	4.0
79.05063	2.1
79.05482	30.6
81.03416	6.3
81.07044	48.6
83.04971	5.8
83.08615	10.9
85.02887	12.8
85.06491	2.6
91.03944	6.4
91.05470	30.5
91.32948	1.1
93.06464	2.3
93.07032	41.5
95.04974	7.3
95.08591	30.1
97.02874	8.3
97.06506	4.5
97.10152	2.9
99.00801	14.8
103.05415	1.4
105.07010	21.7
107.04294	1.2
107.04905	6.2
107.08575	24.5
109.02869	6.6
109.06496	3.4
109.10130	15.5
111.04440	1.1
111.08076	3.0
115.03882	2.5
117.06998	5.9
119.07786	1.5
119.08566	16.0
121.06506	7.0
121.10128	12.1
123.04411	1.8
123.08024	2.4
123.11695	5.5
125.09582	2.0
127.03870	5.0
128.06128	1.7
129.06979	1.7
131.08549	8.2
133.10109	36.0
135.08051	2.3
135.11696	12.3
137.09589	1.9
137.13217	1.5
141.25592	1.2
143.08548	4.5
145.04919	2.7
145.06334	1.2
145.10091	6.5
147.08057	1.8
147.11652	6.3
149.09657	1.4
149.13216	3.9
151.11140	9.0
151.13596	1.2
157.10114	2.0
159.11682	6.1
161.09627	16.3
161.13194	3.3
163.05984	4.8
163.11179	2.2
163.14799	4.1
167.10977	1.3
171.08034	4.2
173.13206	4.8
175.14767	1.4
177.16312	1.8
179.10629	7.9
187.14842	1.6
189.09041	7.2
191.10780	1.4
207.10190	3.4
225.11194	10.2
227.12717	1.7
243.12218	3.4
243.20985	6.1
259.20255	1.5
261.22092	21.9
268.97180	1.1
275.19846	1.3
281.13840	3.5
297.21609	1.2
299.14847	100.0
300.15298	2.0
315.23026	3.0
317.24554	3.0
333.24097	1.2
335.25754	98.8
336.26245	3.0
449.30203	2.4
467.31448	5.2
485.32932	5.6
513.35370	4.5
515.37207	2.3
531.36584	4.9
541.35162	17.5
542.35211	2.1
559.36188	71.6
560.36450	3.4
577.37073	5.2
578.06580	1.4
703.39740	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73068	0.7
65.03923	0.8
67.05494	50.7
68.05820	0.8
69.03413	4.0
69.07058	12.4
71.01336	1.4
71.04980	2.9
71.08620	20.6
71.63091	1.3
71.94453	0.8
73.02887	3.3
79.05048	1.4
79.05479	16.8
81.03395	6.2
81.06570	1.6
81.07045	30.2
83.04964	4.6
83.08606	15.0
85.02413	1.5
85.02893	20.9
85.06526	1.7
85.10169	10.5
87.04445	3.5
89.05997	1.3
91.03940	8.0
91.05463	9.8
93.07037	11.5
95.04946	4.9
95.08594	26.0
97.02872	7.4
97.06506	2.4
97.10155	19.5
99.04403	1.4
103.03944	0.9
105.06996	5.1
107.04928	1.4
107.08576	11.9
109.06474	1.1
109.10136	38.1
111.04433	1.5
111.08037	1.4
115.03925	0.9
117.07005	3.4
117.09156	0.9
119.08566	6.3
121.06473	1.6
121.10121	6.3
123.04320	0.9
123.11678	3.7
125.09616	15.8
127.03897	3.4
129.07042	1.0
131.06157	0.9
131.08534	4.0
133.10091	2.8
135.08075	0.8
135.11691	4.1
137.09694	1.0
139.75945	0.8
142.08058	0.9
143.10643	3.9
145.04916	3.7
145.10120	4.9
147.11642	2.5
149.09605	1.3
149.13243	1.7
151.11151	0.8
153.12759	2.2
159.11665	2.4
163.05986	3.7
163.11159	3.4
173.11743	9.5
173.13129	1.7
181.12218	1.8
191.10689	1.6
193.12321	1.1
199.13263	10.6
209.11671	6.8
223.13284	5.4
227.12746	10.4
229.14316	51.8
239.23660	3.6
257.13870	1.2
258.08899	1.2
261.22061	2.5
265.14233	1.3
267.15869	2.6
277.38852	0.8
283.06198	1.3
283.15302	5.9
297.16922	7.5
299.14917	1.9
300.15277	1.2
301.16428	32.1
313.27319	100.0
314.27686	4.6
319.17551	1.0
335.25784	14.8
336.26010	1.5
341.26917	2.6
437.36295	5.9
455.37234	15.8
463.21338	1.3
467.37280	28.8
468.37659	1.0
489.35715	5.8
505.38589	1.5
521.38519	4.7
538.37543	0.9
539.31610	1.6
539.39288	23.6
547.39099	1.4
557.38727	15.3
558.38123	0.9
649.12970	1.0
701.43805	1.5
748.22131	0.9
759.30359	0.9
885.23285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5665
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93010	0.3
67.05493	10.9
68.09388	0.4
69.03420	1.5
69.07059	5.5
69.37776	3.6
71.05009	0.7
71.08621	17.3
73.02901	1.2
74.67960	0.3
79.05479	6.5
81.03405	47.6
81.07045	14.6
82.03686	0.4
83.04960	2.7
83.08604	17.2
83.09106	0.8
84.94579	0.4
85.02892	3.8
85.06520	0.7
85.10168	11.5
87.04448	0.6
89.06026	0.6
91.03942	3.9
91.05467	8.6
93.07025	4.7
95.04954	15.5
95.08591	14.0
95.09218	0.4
97.02869	3.4
97.06524	1.3
97.10156	5.3
99.08104	0.5
99.11715	0.7
102.02143	0.3
103.07560	0.8
105.07011	6.6
107.04939	3.3
107.08583	2.1
109.02862	0.6
109.06508	1.5
109.10141	6.6
111.04417	1.5
111.08072	4.6
111.11721	0.8
113.06021	0.4
115.05446	0.6
117.06982	0.9
119.04929	0.9
119.08557	6.8
121.06477	1.1
121.10124	4.1
122.00430	0.3
123.04417	1.2
123.08041	1.2
123.11697	3.1
125.09564	0.7
127.03901	1.1
129.06990	6.0
131.08546	4.6
132.21025	0.3
133.06442	1.9
133.10097	2.4
135.08067	0.4
135.11644	0.8
137.09581	1.1
137.13235	1.0
142.07771	1.2
145.04959	1.4
145.10103	0.9
147.04398	0.6
147.07986	1.8
147.11671	4.5
149.09613	2.6
155.08372	0.4
157.10107	6.5
161.09648	0.6
163.05983	2.9
163.11154	1.6
165.12709	1.0
165.16429	0.4
175.11160	6.7
175.12540	0.7
193.12216	23.8
205.12262	0.6
207.13737	0.5
211.13228	1.7
235.13268	1.5
239.23645	1.7
249.14819	1.2
257.24756	1.6
259.13287	1.3
267.15872	100.0
268.16269	1.3
273.14807	1.0
301.14365	1.5
309.16800	2.5
313.27313	96.8
314.27731	1.9
319.15399	0.8
333.17010	0.5
375.17932	0.5
505.38809	81.1
506.38791	1.9
523.40009	4.0
547.39868	6.4
565.41071	1.2
571.39941	0.7
589.40796	1.1
601.40778	3.2
613.41443	1.9
631.42188	2.0
649.42761	2.2
667.44061	0.4
831.32635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.7
67.05492	10.7
69.03405	2.1
69.07057	5.9
71.04974	1.6
71.08221	0.9
71.08617	18.9
71.62653	0.4
73.02906	1.5
79.05482	6.6
80.20657	0.3
81.03403	52.4
81.07042	15.3
82.03726	0.6
83.04971	3.1
83.08603	18.0
85.02893	6.0
85.06525	0.6
85.10168	10.2
89.06033	1.2
91.03925	4.1
91.05464	9.4
93.07030	5.1
95.04449	0.3
95.04953	15.3
95.08589	15.8
97.02872	4.2
97.06531	1.1
97.10151	4.9
97.92954	0.4
99.04436	0.5
99.08096	0.4
99.11777	0.4
103.07564	1.1
105.07006	7.3
107.04948	4.0
107.08585	2.5
109.02913	0.5
109.06504	2.1
109.10135	7.3
111.04436	1.6
111.08061	4.5
111.11710	1.0
115.05444	0.9
117.07011	1.3
119.04939	0.8
119.08559	8.2
121.06493	1.8
121.10120	4.3
123.04388	1.6
123.08025	0.6
123.11674	2.9
125.09604	0.6
127.03886	1.8
129.06998	4.7
131.08549	5.0
133.06471	1.8
133.10107	3.0
135.08076	0.5
135.11694	1.1
137.05922	0.5
137.09647	0.8
137.13222	1.1
142.07779	1.3
145.04958	1.2
145.10071	0.6
147.04413	0.5
147.07997	2.5
147.11650	5.9
149.09628	3.4
150.23788	0.4
151.14857	0.4
157.10091	7.4
161.05995	0.4
163.06009	2.7
163.11130	1.1
165.12737	1.5
173.09721	0.4
175.11160	6.4
182.42465	0.4
193.12209	21.9
194.12543	0.4
199.07298	0.4
207.13670	0.5
211.13272	1.4
221.22559	0.6
225.14713	0.4
231.13832	0.5
235.13269	1.5
239.23651	2.4
249.14827	2.5
249.17076	0.4
257.24734	1.6
259.13284	1.2
267.15863	100.0
267.66745	0.4
268.16156	2.4
268.71405	0.4
273.14911	1.0
277.14417	0.6
294.56537	0.4
298.27246	0.5
301.14236	1.8
309.16983	2.2
313.27310	98.5
314.27615	2.8
319.15222	0.6
333.16977	0.7
356.78946	0.5
375.18088	0.6
377.83649	0.4
458.37622	0.6
505.38794	81.2
506.39151	3.2
523.39905	3.6
547.39838	5.5
548.40704	0.4
565.40765	0.9
571.39679	0.7
589.40857	1.1
601.40936	2.7
613.41052	1.9
631.41760	2.1
649.43140	1.4
826.91467	0.5
914.50989	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5715
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	16.0
69.03405	2.3
69.07063	6.5
71.04969	2.2
71.08620	13.2
71.63403	1.0
73.02890	2.8
79.05472	10.6
81.03403	30.8
81.07041	19.1
83.04968	6.7
83.08142	1.1
83.08601	16.6
85.02419	1.4
85.02892	19.6
85.06508	1.0
85.10164	9.0
89.06023	1.2
91.03946	4.7
91.05463	14.5
93.07034	9.1
95.04943	14.6
95.08595	15.0
97.02868	6.0
97.06490	1.9
97.10136	6.2
105.06353	1.4
105.07003	11.0
107.04934	3.5
107.08575	2.9
109.06485	2.4
109.10146	7.4
111.04445	1.1
111.08053	5.3
111.11636	1.3
113.05935	1.5
117.07014	1.3
119.08550	11.5
121.10123	4.6
122.41360	0.8
123.08045	1.4
123.11683	3.7
125.09597	1.5
127.03859	1.6
129.06993	5.3
131.08560	5.5
133.06480	1.3
133.10088	5.9
133.43510	0.8
135.11673	0.9
137.09581	0.9
137.13228	1.3
142.07745	2.0
145.04977	1.8
147.08066	1.8
147.11667	9.6
149.09575	3.0
157.10124	8.7
163.05965	1.1
165.12733	1.7
175.11156	9.1
193.10446	0.8
193.12215	25.3
211.13252	41.5
212.13622	1.5
267.15878	15.9
267.26822	0.9
285.16904	56.4
285.27689	1.5
286.17136	1.5
313.27435	1.0
341.30432	56.6
342.30789	2.7
533.34747	0.9
533.41968	14.5
551.42987	100.0
552.43341	7.4
733.71960	0.8
764.71826	1.0
910.46722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23802	0.7
65.03944	0.8
67.05170	1.4
67.05495	19.0
67.61411	0.8
69.03397	3.0
69.06715	1.5
69.07053	17.3
71.04971	2.7
71.08616	2.6
73.02887	2.4
79.05475	13.0
81.03401	29.0
81.07042	23.8
81.09740	0.8
82.07369	1.1
83.04957	5.6
83.08140	1.3
83.08606	20.9
85.02888	18.3
85.06526	1.8
85.10183	1.8
91.03933	5.7
91.05462	15.0
93.07025	11.4
95.04952	12.4
95.08584	16.6
97.02879	5.4
97.06493	3.2
97.10149	8.1
105.07005	13.1
107.04921	2.5
107.08578	5.7
109.06491	2.3
109.10149	6.6
111.04440	1.5
111.08055	6.4
111.11703	1.2
113.06011	0.9
119.08562	10.0
121.06561	1.0
121.10120	9.6
123.08076	1.6
123.11687	2.5
127.03848	1.6
129.06955	4.8
131.08556	5.3
133.06448	0.8
133.10107	5.3
135.11644	3.3
145.04857	1.9
145.10109	0.9
147.07979	1.9
147.11687	7.1
149.09578	3.1
149.13194	2.5
157.10097	7.7
161.13396	0.8
163.05968	1.8
163.14743	1.0
165.12737	1.7
175.11191	7.7
185.26852	1.0
193.12209	23.6
200.26041	0.8
211.13246	34.8
212.13644	1.1
265.25253	1.7
267.15839	12.9
285.16901	50.3
286.17349	1.2
339.28888	47.8
340.29095	1.2
370.62943	0.9
491.37665	1.1
531.40393	11.6
549.41412	100.0
550.41357	4.0
738.34320	1.4
908.46631	1.6
909.46063	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	908.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	6.9
69.07056	3.5
71.04959	1.4
71.08619	10.4
73.02930	1.7
76.19628	0.8
79.05479	6.9
81.03395	6.3
81.07031	12.8
83.01351	3.6
83.04968	4.5
83.08615	8.0
85.02906	7.9
85.10161	8.6
91.03934	6.1
91.05466	5.5
93.07031	10.9
95.04958	2.5
95.08607	12.1
97.02881	5.0
97.06522	3.0
97.10158	4.0
98.21529	3.3
99.04433	1.5
104.69166	1.0
105.07029	3.2
107.04957	2.8
107.08570	6.2
109.06499	3.6
109.10101	4.6
111.11681	1.6
114.37288	1.1
117.06999	2.8
119.08568	3.2
121.06466	1.8
121.10098	4.7
123.08076	3.4
123.11664	1.3
127.03925	2.1
129.07022	1.2
131.08536	1.5
133.10124	1.5
135.08035	1.2
135.11711	6.3
137.13170	1.9
145.04945	2.6
145.10095	6.6
163.06023	3.9
163.11153	12.3
171.22586	1.1
181.12206	2.6
191.10638	2.2
209.11711	3.4
227.12656	1.5
230.05858	1.2
283.15363	100.0
284.15652	1.2
285.27783	1.3
331.07849	0.9
341.30447	67.9
342.30963	1.9
485.92331	1.3
549.41425	51.9
550.42194	1.4
636.08459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.4
67.05493	34.0
68.05808	0.7
69.03410	3.1
69.07056	13.3
70.07374	0.6
71.04992	2.8
71.08614	1.2
73.02907	1.9
79.05480	16.9
80.05810	0.8
80.81709	0.5
81.03407	26.8
81.07045	37.6
82.07362	1.2
83.04971	6.0
83.08609	15.4
85.02893	20.0
85.06528	1.5
91.03953	5.6
91.05467	16.9
93.07023	16.0
95.04954	11.7
95.08592	26.7
97.02880	4.3
97.06506	3.0
97.10146	5.0
99.04479	0.7
99.08092	1.3
101.06010	0.7
105.07011	13.6
107.04948	2.2
107.08571	9.2
109.06503	3.1
109.10140	11.8
111.04414	1.1
111.08073	5.7
111.11773	0.5
113.05972	0.6
115.05437	0.8
115.91713	0.6
117.07022	1.3
119.08568	10.0
120.08917	0.6
121.06472	0.6
121.10113	8.7
122.10460	0.6
123.08065	1.2
123.11691	4.0
125.09621	1.4
127.03909	2.6
129.06992	4.4
131.08537	5.1
133.06482	1.7
133.10098	7.5
133.11053	0.6
135.11671	3.0
137.09628	1.5
137.13257	1.4
142.07793	1.0
145.04959	1.8
145.10139	1.7
145.49287	0.6
147.08018	1.2
147.11668	8.9
148.12001	1.0
149.09624	2.7
149.13257	1.6
151.14815	0.5
157.10130	6.3
161.13258	2.0
163.06030	1.8
163.11212	0.6
165.12755	2.0
175.11163	6.8
175.14873	1.2
184.07358	1.6
185.13362	1.0
193.12216	17.3
194.12611	1.0
211.13268	19.8
229.14363	1.1
243.58250	0.5
245.22578	1.4
261.22174	0.6
263.23755	3.4
267.15866	11.4
268.16299	1.2
281.16382	0.5
285.16922	34.9
286.17340	2.2
287.17514	0.7
335.25732	2.9
336.26050	1.4
337.27313	53.0
338.27713	1.4
489.35638	1.4
529.38763	13.4
545.37708	1.1
546.38220	1.5
547.39880	100.0
548.40112	3.0
565.40332	0.6
691.44586	1.2
713.00574	0.7
906.50299	2.1
907.46637	2.7
939.90637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	2.5
67.05494	56.2
69.03422	4.3
69.07057	19.7
69.54408	0.7
69.54810	4.4
71.04980	4.7
71.08646	0.6
73.02906	4.4
77.03913	0.8
79.05482	30.7
79.70882	0.5
81.03410	4.3
81.07043	91.8
82.07360	1.0
83.04968	7.0
83.08604	11.5
85.02892	17.5
85.03417	0.9
85.06532	5.2
87.04475	1.0
91.03945	9.7
91.04886	1.2
91.05465	32.0
93.07026	36.8
95.04955	5.5
95.08591	40.1
97.02868	8.2
97.06519	7.3
97.10159	4.0
98.20743	1.2
99.04453	0.9
99.08060	3.2
101.06029	0.9
103.03938	0.7
103.05406	0.6
104.24054	0.6
105.04517	0.6
105.07012	33.0
107.04945	1.5
107.08575	27.2
108.31798	0.5
109.02819	1.0
109.06500	5.3
109.10130	19.5
111.08076	2.3
111.96221	0.5
113.06013	1.2
113.09613	0.8
115.05489	0.9
115.07545	0.6
117.07008	5.6
119.08561	27.4
121.06503	0.8
121.10123	27.0
121.11019	1.3
123.08044	4.6
123.11686	27.0
125.09624	2.7
127.03880	4.3
127.07538	2.4
128.06250	0.6
129.05504	0.7
129.06978	1.9
131.08556	7.2
133.10109	8.9
135.08011	1.0
135.11681	9.7
137.09584	3.0
137.13239	3.3
139.11215	0.9
141.09064	1.1
142.07764	0.7
143.08530	0.7
145.04939	3.9
145.10089	7.8
147.11662	58.3
148.12027	0.8
149.09593	2.5
149.13232	5.9
151.11136	1.5
157.10114	2.9
159.11682	4.5
161.13214	3.5
163.06029	4.9
163.11136	2.0
163.14828	2.8
165.12724	22.5
171.11636	0.9
173.11734	2.7
173.13239	3.7
175.11169	1.8
175.14807	1.2
177.12764	0.8
177.16380	1.3
179.14195	0.6
181.12204	0.7
183.13765	3.2
185.13193	0.7
187.14839	1.5
193.12236	2.2
199.13312	1.4
211.13280	0.9
227.12694	0.9
229.14310	10.6
235.37549	0.6
243.21028	5.5
257.19064	0.6
261.22101	18.8
267.15875	68.7
268.16306	1.6
275.19934	3.0
279.23080	4.3
283.15262	1.4
285.16919	100.0
286.17209	0.7
291.19354	0.8
301.16367	1.3
317.24805	3.2
335.25751	81.4
336.26178	1.9
349.23660	4.5
353.26709	3.3
383.24194	1.8
399.23724	1.4
453.33499	0.9
471.34402	2.1
503.33527	1.6
527.29846	0.9
527.37292	9.5
545.38293	82.3
546.38647	1.9
563.39386	7.5
673.43384	1.1
904.48297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.3
67.05490	29.6
68.05802	0.4
69.03415	3.0
69.07053	8.2
71.01330	0.3
71.04980	3.2
73.02897	2.5
73.06564	0.3
79.05477	22.5
81.03401	28.7
81.07039	32.6
83.04967	7.1
83.08601	12.5
83.09100	0.6
85.02885	18.1
85.06532	1.1
87.04451	0.5
91.03938	5.0
91.05460	20.5
93.07023	26.3
95.04947	12.9
95.08587	21.3
97.02866	5.6
97.06504	2.7
97.10135	2.6
99.04430	0.4
99.08070	0.9
103.03927	0.4
103.05412	0.3
105.04510	0.4
105.07005	14.8
107.04933	3.3
107.08572	13.4
109.06494	2.6
109.10133	8.9
111.04438	1.2
111.08054	5.1
113.05999	1.3
115.03920	0.4
115.05417	0.7
117.06989	2.9
117.27932	0.3
119.04948	0.6
119.08555	12.3
121.06479	1.3
121.10120	12.3
123.08057	1.9
123.11662	3.1
125.09602	1.1
127.03886	1.9
127.07534	0.4
127.11182	0.4
129.06970	5.6
130.07741	0.3
131.08542	9.4
133.06490	1.5
133.09084	0.5
133.10104	9.2
135.08043	0.6
135.11668	5.4
137.09589	1.7
137.13242	0.5
139.11143	0.5
141.06926	0.4
142.07761	1.5
143.08539	0.6
145.04945	1.5
145.10091	4.3
147.08046	1.7
147.11655	9.9
149.09590	3.3
149.13235	2.9
151.11154	0.7
153.12737	0.3
155.08527	0.3
157.10094	6.8
159.11656	2.6
161.13226	2.6
163.05989	2.3
163.11150	0.9
163.14825	1.4
165.12683	1.6
171.11641	0.6
173.09540	0.3
173.13220	2.4
175.11145	6.9
175.14757	0.8
177.16283	0.4
185.13242	0.8
187.14803	1.2
189.11166	0.4
193.12201	20.4
201.16319	0.4
211.13242	27.4
212.13553	0.4
227.12804	0.8
229.14215	0.3
233.15436	0.3
233.22528	0.3
243.21042	2.0
249.14784	0.3
261.22083	8.1
267.15854	8.6
273.22177	0.3
279.23169	0.3
283.15302	0.3
285.16907	39.0
286.17160	0.4
299.23477	0.3
301.25027	0.3
303.23349	0.4
317.24741	1.9
335.25723	59.2
336.25998	1.1
378.29758	0.3
417.31427	0.3
435.32477	1.4
453.33954	1.4
471.34460	0.9
477.96960	0.3
509.36060	0.7
527.37250	13.1
528.37354	0.4
545.38263	100.0
546.38654	2.6
563.39166	0.9
689.42004	0.7
873.10010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10750	0.3
65.03919	1.4
67.05491	40.0
69.03413	4.3
69.07053	10.0
70.03449	0.7
70.03865	1.1
71.04980	4.1
71.08633	0.4
73.02905	3.5
73.21931	0.3
77.03889	0.7
79.05477	30.8
81.03401	41.8
81.07040	43.4
82.07365	0.4
83.04467	0.6
83.04965	11.1
83.08218	0.3
83.08599	18.4
85.02886	25.8
85.06522	1.8
87.04465	0.7
91.03939	7.8
91.05462	28.3
92.05807	0.3
93.07024	28.7
95.04441	0.3
95.04948	18.7
95.08586	26.2
96.04475	0.3
96.08901	0.4
97.02873	7.8
97.06492	3.0
97.10141	4.1
98.20791	0.3
99.04450	1.1
99.08059	1.4
103.05432	0.4
105.04494	0.6
105.07007	20.4
107.04938	4.7
107.08570	16.0
108.77954	0.3
109.02849	0.4
109.06499	3.7
109.10130	11.2
111.04447	1.6
111.08057	7.7
113.05981	1.8
113.09620	0.3
115.03906	0.7
115.05441	1.1
117.06982	3.3
119.04977	0.5
119.08556	16.6
120.08898	0.3
121.06489	1.3
121.10120	15.8
123.08058	2.7
123.11681	4.2
125.06000	0.3
125.09612	1.6
127.03875	3.1
127.07543	0.5
128.06151	0.4
129.05521	0.4
129.06984	6.9
131.08542	12.7
133.06497	2.0
133.10103	10.6
135.11667	6.7
137.09622	1.8
137.13203	0.8
139.11157	0.6
142.07765	1.4
143.08543	1.0
145.04924	3.4
145.10094	5.3
145.76988	0.3
147.08040	2.3
147.11661	11.8
149.09573	5.2
149.13223	3.5
151.11166	0.6
152.97842	0.4
153.12697	0.4
155.08534	0.8
157.10098	10.4
159.11635	2.7
161.12137	0.3
161.13210	2.0
163.05983	4.1
163.11169	1.0
163.14821	1.5
165.12769	1.9
169.10118	0.5
171.11633	0.9
173.13173	2.1
175.11143	10.3
175.14771	0.7
177.12733	0.5
177.16333	0.3
181.10065	0.3
183.11737	0.4
184.07336	0.3
185.13173	0.5
187.14764	1.5
189.11125	0.5
193.12206	32.3
194.12521	0.5
197.13286	0.4
199.14792	0.4
201.16400	0.7
202.99428	0.3
209.13316	0.4
211.13245	57.1
211.53183	0.4
212.13600	0.7
227.12810	1.2
229.14288	0.5
233.22612	0.6
243.21056	2.7
255.43269	0.3
258.87140	0.4
259.20480	0.4
261.22107	8.7
267.15866	13.5
268.16415	0.5
269.17389	0.7
279.23096	0.7
283.15286	0.8
285.16904	69.6
286.17206	2.2
301.25238	0.9
317.24719	2.1
333.24158	0.6
335.25729	57.0
336.25946	1.7
417.31299	0.3
435.32535	2.6
453.33563	1.9
471.34503	1.4
473.24963	0.3
473.32272	0.4
487.33487	0.4
509.35995	1.2
527.37207	14.4
528.37726	0.4
545.38269	100.0
546.38568	5.7
563.39185	1.3
689.42755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03889	1.4
65.67171	0.3
67.05492	26.8
68.05803	0.4
68.14171	0.4
69.03372	1.3
69.07058	8.1
70.15193	1.9
71.04982	2.1
71.83816	0.4
73.02910	1.7
77.03904	0.5
78.84734	0.3
79.05477	22.4
81.03405	2.5
81.07040	29.1
82.64334	0.3
83.04967	2.3
83.08149	0.4
83.08600	6.7
85.02893	4.0
85.06486	1.4
88.90018	0.4
91.03947	2.4
91.05463	10.4
93.07025	33.1
95.04454	0.4
95.04955	4.9
95.08586	34.9
96.08909	0.6
97.02377	0.3
97.02871	4.2
97.06506	3.2
97.10160	1.7
98.20790	0.5
99.04433	2.1
99.08050	0.5
105.06386	0.7
105.07011	8.4
107.04932	4.2
107.08571	22.5
109.06462	1.6
109.10136	8.8
111.04377	1.2
111.08041	1.0
111.11652	0.4
113.06015	0.6
115.05311	0.4
116.32818	0.4
117.06986	5.9
117.63115	0.4
119.07796	0.7
119.08559	10.2
121.06462	3.0
121.10121	15.3
121.11006	0.8
123.08040	0.8
123.11655	1.9
125.05930	1.6
125.09605	0.6
127.07498	0.5
129.06952	0.5
131.08545	3.9
133.10091	4.6
135.08087	1.8
135.11662	31.3
136.12022	0.4
137.09505	0.4
137.13286	0.5
139.07498	1.1
143.08499	0.6
145.04834	0.6
145.10094	16.6
147.11646	3.3
149.09503	0.5
149.13213	3.3
153.12674	0.8
159.11652	2.1
161.13200	2.1
163.05943	0.7
163.11148	34.5
163.14764	0.9
164.11469	0.9
173.13199	1.4
175.14755	0.6
177.12671	0.4
177.16306	0.5
181.12206	6.8
187.14752	1.0
191.10559	0.6
193.12189	0.4
209.11780	1.2
227.12735	36.2
228.13068	0.4
243.21103	1.9
261.22067	7.8
267.15750	0.4
281.13568	0.4
283.15344	52.6
284.15671	1.0
313.27271	0.7
314.27539	0.4
317.24774	1.9
335.25729	89.5
336.26193	2.4
338.99939	0.5
469.33054	0.5
507.39297	0.6
543.36713	100.0
544.37079	2.8
561.37677	1.3
687.39221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.1
67.05494	38.4
68.05791	0.4
69.03427	3.7
69.07058	10.0
69.81359	0.3
71.01313	1.2
71.04986	3.5
71.08629	1.7
71.54617	0.7
73.02908	4.7
77.03891	0.5
79.05481	31.8
80.05800	0.5
81.03407	12.7
81.07043	43.5
82.03708	1.0
82.07368	0.7
83.00887	0.6
83.01328	7.4
83.04967	10.9
83.08602	13.4
84.08927	0.4
85.02892	20.2
85.06526	1.9
85.10147	0.9
91.03410	0.7
91.03943	10.7
91.05466	21.5
92.05776	0.4
93.07028	43.2
95.04960	8.3
95.08591	31.7
96.04435	0.6
96.08893	0.4
97.02278	0.6
97.02873	10.9
97.06516	5.4
97.10152	5.0
99.04452	3.2
99.08026	1.3
103.05467	0.4
105.04467	0.5
105.07013	17.4
107.04288	0.5
107.04943	7.2
107.08577	24.5
109.02810	1.1
109.06499	6.7
109.10137	15.3
111.04421	2.2
111.08062	2.5
111.11684	0.8
112.38829	0.4
115.03864	1.2
115.05379	0.8
117.06219	0.6
117.06996	10.3
118.11502	0.4
119.08565	15.1
121.06487	2.5
121.10123	20.2
123.04364	0.8
123.07204	0.5
123.08050	8.3
123.11691	5.5
125.05935	1.4
125.09598	4.2
127.03894	4.4
129.06985	2.4
130.07698	1.1
131.04886	0.4
131.08546	10.5
133.06438	0.4
133.10106	9.1
135.08057	2.2
135.11671	18.4
136.06123	0.6
137.09587	2.8
137.13200	1.3
139.07506	0.8
139.11160	0.6
143.08510	1.4
145.04895	5.1
145.06383	1.4
145.10101	20.2
146.10451	0.4
147.08034	2.2
147.11671	5.7
149.09584	2.0
149.13226	5.7
151.11154	0.9
153.12740	3.2
155.08540	1.7
157.10109	2.1
159.11664	5.2
161.12108	0.4
161.13260	3.7
163.05980	7.3
163.11159	20.8
163.14778	3.1
163.98491	0.4
164.11485	0.6
168.45143	0.4
169.10040	0.8
171.11621	1.2
173.09624	3.1
173.13211	4.8
175.11095	1.0
175.14767	1.3
177.16365	1.0
179.14203	0.6
180.08588	0.6
181.12221	3.1
183.11690	0.8
185.13190	1.2
187.14787	2.3
189.11179	2.7
189.16301	0.4
191.10609	2.9
191.14149	0.4
193.12196	2.5
194.12575	0.7
195.13431	0.3
197.13174	0.4
199.14865	0.8
201.16360	1.3
204.08502	0.3
205.15858	0.5
209.11676	5.5
209.13385	0.6
211.11569	0.4
211.13158	1.9
219.17467	0.4
227.12747	11.6
229.14377	0.4
233.22578	1.0
241.19484	0.5
243.21004	4.9
245.13847	0.5
255.15939	0.8
259.20490	1.9
261.22101	15.1
261.75223	0.4
262.22580	0.5
267.15854	6.1
268.16217	2.5
269.16614	0.5
273.22037	0.6
277.21628	0.8
279.23163	0.5
283.15347	100.0
284.15714	2.7
285.16907	1.3
286.68372	0.4
297.22061	0.7
299.23608	4.6
301.21674	0.4
313.17694	0.4
313.27359	2.7
314.27701	2.3
315.23297	0.5
315.27933	1.1
317.24698	4.2
327.22940	0.5
333.24234	2.1
335.25748	67.0
336.26135	2.2
353.24469	0.4
369.24554	0.5
373.27505	0.4
407.50797	0.4
415.29965	0.8
423.32532	0.6
433.30893	2.4
451.31766	3.8
469.33081	3.0
476.83228	0.4
487.33942	1.5
505.38892	1.8
506.39200	2.2
507.40012	2.3
515.37170	1.9
517.34784	0.6
525.35699	8.1
543.36731	67.6
544.37122	3.3
561.37787	7.0
595.15613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.2
67.05492	46.8
68.05772	0.5
69.03424	3.1
69.07054	10.1
71.01299	1.3
71.04984	3.9
71.08582	1.8
73.02911	4.8
77.03907	0.5
79.05481	37.7
80.05820	0.5
81.03404	13.1
81.07043	51.8
83.00876	0.6
83.01324	7.7
83.04969	11.8
83.08607	14.2
84.08924	0.5
85.02892	20.4
85.06490	1.9
85.10134	0.6
91.03410	0.8
91.03939	13.1
91.05463	22.6
93.07028	49.1
95.04371	0.8
95.04952	9.8
95.08589	35.9
96.08851	0.5
97.02294	0.7
97.02873	11.4
97.06506	5.3
97.10147	4.8
99.04443	2.9
99.08050	1.5
101.02340	0.7
103.05434	0.9
105.04489	0.7
105.07018	17.2
107.04936	7.0
107.08575	30.0
109.02857	0.9
109.06503	7.4
109.10137	15.8
109.38417	0.4
111.04427	2.3
111.08070	3.1
111.11684	0.7
113.09591	0.5
115.03912	0.8
115.05395	0.5
116.06190	0.4
117.06219	0.5
117.07001	10.0
119.08559	15.6
121.06493	3.0
121.10123	22.2
123.08057	8.0
123.11691	5.8
125.05924	1.7
125.09612	4.1
127.03899	3.9
129.06966	2.2
130.07700	0.8
131.04861	0.4
131.07593	0.5
131.08545	10.9
133.10106	11.7
135.08064	2.1
135.11667	20.1
137.09566	2.3
137.13205	1.7
139.07471	0.8
139.11154	0.5
143.08521	2.0
145.04898	4.8
145.06407	1.2
145.10098	20.9
147.08020	2.4
147.11656	6.4
149.09569	1.7
149.13245	6.8
151.11102	1.0
153.09032	0.5
153.12715	2.8
154.07597	0.5
155.08511	1.8
157.10057	1.9
159.11652	6.3
161.13235	4.7
163.05988	6.5
163.11157	20.7
163.14760	4.6
169.10165	0.6
171.11636	1.3
173.09581	3.0
173.13239	6.1
175.11098	0.7
175.14731	1.7
177.16310	1.5
181.12263	2.5
183.11633	0.9
185.13179	1.9
187.13345	0.6
187.14743	2.5
189.11208	2.9
189.16292	0.8
191.10626	3.1
191.14252	0.5
193.12173	2.0
201.16331	1.5
209.11646	5.3
211.13193	1.6
219.17537	0.7
223.11015	0.4
227.12730	11.0
233.22665	0.6
241.19566	0.5
243.15788	0.5
243.21091	5.5
245.13675	0.7
259.20544	2.1
261.22107	19.5
262.22885	0.5
267.15851	4.7
268.16324	1.2
273.22025	1.1
277.21591	0.7
279.23267	0.7
283.15350	97.2
284.15659	1.3
285.16809	1.1
297.22079	0.5
299.23654	6.2
301.21576	0.5
313.27310	2.0
314.27731	1.9
315.23090	0.6
317.24710	6.1
333.24136	3.2
335.25745	91.0
336.26007	2.3
373.27197	0.6
415.29761	1.0
423.32596	0.8
433.31039	2.3
451.32001	4.5
469.33105	2.4
473.28674	0.5
487.34283	1.4
505.38742	1.3
506.39081	2.0
507.39798	1.3
515.37128	1.7
517.34833	1.1
525.35681	8.7
526.36194	0.8
543.36731	100.0
544.37048	3.9
561.37769	7.7
562.37720	0.6
683.47772	0.5
733.68774	0.5
783.98120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	2.0
67.05493	36.0
69.03375	2.1
69.07057	9.9
70.96745	1.1
70.97095	1.3
71.04977	3.4
71.08607	0.6
73.02899	3.3
77.03879	0.5
79.05480	32.0
81.03398	3.6
81.07043	35.9
83.01274	0.8
83.04979	3.2
83.08602	9.1
85.02889	6.5
85.06481	1.3
91.03955	3.4
91.05460	16.0
93.07026	44.7
95.04954	7.1
95.08589	46.0
97.02871	7.8
97.06513	4.0
97.10107	1.8
99.04453	3.3
103.05444	0.7
105.04478	1.1
105.06381	1.0
105.07009	11.9
107.04362	0.6
107.04926	6.1
107.08572	32.8
109.06494	3.4
109.10143	12.7
111.04384	1.9
111.08013	2.4
117.07007	8.4
117.49910	0.6
119.07793	0.9
119.08559	14.4
119.34909	0.6
121.06504	5.0
121.10120	21.2
123.07980	2.5
123.11732	3.5
125.05997	3.0
125.09586	1.4
127.03871	1.1
129.06947	1.2
130.07773	1.6
131.08543	5.2
133.10106	8.2
135.07986	2.1
135.11668	45.6
137.13193	1.3
139.07487	0.7
139.11066	0.7
143.08473	2.0
145.04936	1.2
145.10097	27.1
147.11620	2.9
149.13211	3.5
153.12686	1.8
157.10074	0.9
159.11635	2.7
161.13185	2.5
163.05968	1.7
163.11156	53.9
163.14767	1.9
164.11472	0.8
173.09572	1.7
173.13184	2.0
181.12199	9.4
187.14767	1.8
189.11191	0.9
193.12315	0.8
194.84050	0.7
201.16318	0.7
209.11688	2.1
227.12740	57.7
228.13039	0.7
243.21022	2.9
261.22067	7.1
268.16269	0.6
283.15350	100.0
284.15692	1.5
299.23572	0.9
313.27216	1.1
317.24652	1.8
335.25745	80.2
336.26001	1.9
370.20911	0.7
451.31592	0.9
469.33118	1.3
525.35297	1.3
528.73450	0.7
543.36749	97.0
544.37030	3.8
552.49609	0.7
561.37970	1.8
665.49213	0.7
880.93219	0.6
884.36652	0.6
902.45544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.235
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09937	1.3
71.61819	2.0
82.99854	1.7
85.02886	3.0
87.60463	1.6
101.00879	3.2
110.73442	1.6
119.01913	12.5
127.03901	2.1
131.01884	6.8
137.02939	2.9
143.01906	7.4
145.03461	14.6
148.03604	1.4
149.02824	1.6
155.01874	5.4
157.03407	2.7
159.05002	6.3
161.02954	16.4
163.04514	6.0
167.01898	3.0
169.03416	14.0
171.04976	3.9
173.02942	11.5
181.03448	2.5
185.02937	17.6
187.02904	3.1
187.04495	35.0
189.02411	6.7
191.03978	1.7
192.92770	1.3
197.02969	7.6
199.04558	8.3
201.06168	1.5
203.04042	9.1
207.03618	2.3
211.04530	5.6
213.02432	6.0
213.06062	2.1
215.03984	4.1
221.05028	2.0
225.02428	3.0
227.03946	3.8
227.46494	1.6
229.05489	2.7
231.03479	14.5
243.03506	3.3
245.05064	37.5
246.05190	2.3
247.04813	2.6
257.01334	3.6
261.04593	1.6
263.06067	7.7
271.06610	6.2
273.04514	1.5
275.02432	30.5
275.05630	2.3
287.02457	10.2
293.03540	11.7
293.06476	2.2
305.03369	6.0
305.06854	2.8
315.05344	2.9
333.06796	2.0
335.04498	4.7
359.04431	4.9
365.09128	3.8
377.05585	15.9
395.06650	26.3
460.13354	1.5
539.10828	4.5
557.11945	100.0
558.11914	5.8
700.86774	1.8
750.66150	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.5
65.49754	1.4
67.05472	1.2
68.99776	12.4
71.31298	2.1
71.62559	1.2
77.41264	1.3
79.05507	1.2
81.03411	4.0
83.04951	2.4
87.32444	1.2
95.04952	2.3
109.02865	6.2
111.00774	14.7
111.04408	1.8
119.04989	1.5
121.02851	2.1
123.04414	35.2
123.75526	1.5
127.03896	94.8
133.02831	5.3
135.04391	4.2
139.03877	88.0
145.06508	1.4
147.04387	12.8
149.02335	5.5
151.03876	52.1
153.01799	2.4
155.03363	9.3
159.04436	2.0
161.05963	2.4
163.03877	10.7
165.05423	4.9
167.03386	3.6
169.04913	5.3
171.04379	2.8
173.05984	2.0
175.03876	15.8
177.05469	10.6
179.03369	75.1
181.04901	2.8
185.06012	2.8
187.03925	1.8
189.05466	7.6
191.03419	11.8
193.04871	6.4
199.03914	5.5
201.05417	5.9
203.03365	33.9
203.05173	2.4
203.06775	1.8
207.06480	1.5
213.05379	6.9
215.03368	2.6
217.04906	10.2
219.06490	2.0
221.04472	2.4
223.02283	3.4
227.03377	2.2
229.04909	8.8
231.06490	4.1
233.04408	5.8
241.04939	6.7
245.04424	100.0
246.04727	1.9
247.06032	8.5
251.05562	1.9
253.04926	3.2
257.04367	24.5
258.05118	1.4
259.05930	6.9
263.05472	50.0
269.04459	7.0
271.05963	6.2
273.04059	1.7
275.05432	27.2
277.07016	4.4
281.04593	3.1
285.03964	3.6
287.05457	81.9
288.05853	2.7
291.08630	17.4
295.05844	2.6
297.03867	2.2
299.05447	20.8
300.05832	1.6
303.01379	2.2
305.06479	35.4
309.03815	1.8
311.05539	2.4
317.06555	14.4
321.04166	1.4
321.07370	1.6
325.07202	1.4
329.06372	3.1
347.07745	2.1
349.07056	2.3
351.04944	3.4
368.82416	1.6
377.06412	2.0
381.05823	1.6
393.05951	5.2
395.07446	2.6
399.06915	1.9
405.05997	8.9
409.09317	6.7
413.08701	8.6
417.06018	1.8
423.07013	26.5
424.07648	1.4
425.08603	15.3
427.10114	7.7
435.07312	6.5
441.08020	17.1
443.09708	15.3
451.10153	2.2
453.07953	7.0
455.09573	1.8
465.08170	6.3
469.11359	4.5
483.08969	2.5
495.01840	2.5
543.08862	2.6
549.10132	2.0
561.10370	2.8
573.09753	3.1
595.14368	12.3
609.12415	2.8
711.50916	1.8
713.14392	2.5
731.15613	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	898.5715
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98725	0.7
65.03915	1.8
67.05495	26.8
69.03403	1.8
69.07051	6.4
69.29703	9.3
71.04986	11.1
71.08621	16.2
73.02908	2.3
79.05480	4.6
81.03438	1.9
81.07045	51.2
83.04956	2.7
83.08607	10.5
85.02889	7.5
85.06535	5.5
85.10168	10.0
91.03944	3.7
91.05453	8.1
93.07030	6.2
95.04962	0.8
95.08594	16.3
97.02879	4.5
97.06522	1.8
97.10155	4.6
105.07029	4.7
107.08598	5.9
109.10132	10.2
119.08649	0.9
121.10126	1.8
123.08083	0.8
123.11687	11.4
127.03893	1.4
131.08553	1.5
133.10120	11.0
135.11670	2.3
145.04916	2.9
149.13226	2.2
151.11140	5.1
151.14803	1.0
159.11647	2.5
163.06027	2.6
169.12189	1.3
177.12759	1.9
183.13783	2.9
187.13228	4.1
239.23767	1.6
269.17542	3.9
285.16727	1.0
301.20023	14.8
313.27307	14.4
409.74802	1.1
445.24411	1.2
481.38828	62.7
482.38800	1.3
495.40292	2.2
507.40378	6.3
539.42999	100.0
540.42932	1.5
549.56403	1.0
578.73755	0.9
683.47089	1.5
927.74463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	0.7
67.05495	19.7
69.03413	3.5
69.07058	8.0
70.06802	2.1
71.01319	0.5
71.04948	1.3
71.08622	19.3
73.02907	4.5
75.61878	0.4
79.05479	9.9
80.06248	0.4
81.03403	5.9
81.07043	16.8
82.04186	1.9
83.04969	6.6
83.08606	10.1
85.02893	11.9
85.06504	0.8
85.10168	11.9
87.04425	0.7
89.05996	0.9
91.03945	7.4
91.04969	0.6
91.05463	7.5
93.07031	10.2
94.07784	0.4
95.04957	7.0
95.08593	17.3
96.05695	0.6
97.02878	8.1
97.06518	3.9
97.10155	8.1
98.07317	2.3
99.04405	1.1
99.08054	0.7
99.11657	0.8
101.05977	0.8
103.07546	0.6
105.07015	4.4
107.04935	4.1
107.08573	5.3
109.02851	1.0
109.06473	1.7
109.10137	10.7
111.04410	3.8
111.08073	2.6
111.11674	1.1
113.05957	0.8
115.03867	0.8
115.05409	0.4
116.04695	5.1
117.06997	3.0
117.09093	0.5
119.08556	4.1
121.06441	1.5
121.10123	3.5
123.04352	0.7
123.08053	2.3
123.11683	3.3
125.05971	0.6
125.09621	4.8
125.13261	0.4
127.03913	3.5
127.11147	0.5
129.05458	11.6
129.06459	0.6
129.06914	2.0
131.07704	0.4
131.08559	3.3
133.06461	0.5
133.10103	2.6
135.07982	1.3
135.11670	4.8
137.09605	1.0
137.13202	1.1
143.07001	2.8
143.10603	0.5
145.04950	2.6
145.06450	0.8
145.10117	4.7
147.08008	0.8
147.11630	1.4
149.09569	1.7
150.27826	0.4
151.11028	0.6
153.09068	0.6
153.12683	0.9
155.08545	0.8
157.08548	5.3
157.10046	1.3
158.05641	0.8
163.05989	4.2
163.11150	5.7
165.12682	1.2
171.06490	2.2
171.10114	1.5
173.09593	1.9
173.11662	0.9
175.11134	1.3
181.12161	1.2
185.11664	0.5
189.11212	3.4
191.10666	2.7
192.11331	0.5
193.12209	1.9
199.09612	0.5
199.13243	0.9
200.13995	1.3
209.11699	7.6
210.12434	0.5
211.13309	0.5
213.11143	0.6
221.22713	0.6
227.12776	7.1
229.14307	0.9
239.23756	3.1
255.15903	2.7
257.24744	1.7
265.14301	0.5
267.15878	3.7
283.15359	41.8
284.15744	1.2
301.16415	39.2
302.16629	0.8
311.18839	0.6
311.22186	1.8
313.27316	83.1
314.27640	3.4
341.27023	0.6
367.28372	4.0
368.29007	0.4
381.29767	0.8
395.31458	2.7
409.33008	0.9
438.37067	1.3
467.37131	1.5
505.38892	4.3
521.38318	24.4
522.38885	2.8
539.39355	100.0
540.39740	5.6
707.72687	0.5
770.98499	0.4
921.64899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.535
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.5
65.11002	0.2
65.64747	0.2
67.05489	12.9
69.03416	3.7
69.07049	6.5
69.35834	1.1
69.36260	1.5
70.04179	0.3
71.01315	0.5
71.04984	1.3
71.08614	15.1
73.02898	5.2
79.05473	8.7
81.03400	5.7
81.07037	14.4
82.04176	2.7
83.01266	0.4
83.04964	5.3
83.08598	8.8
83.09093	0.4
84.02064	0.6
85.02883	10.9
85.06497	0.8
85.10165	8.6
87.04434	0.6
89.05999	1.1
91.03398	0.3
91.03932	5.8
91.05460	7.0
93.07022	5.9
94.04132	0.3
94.07773	0.6
95.04946	6.4
95.08586	11.9
96.04482	0.4
96.05711	0.5
97.02292	0.5
97.02867	6.4
97.06509	3.6
97.10144	10.3
98.07290	3.6
98.10504	0.2
98.16165	0.3
99.04411	0.8
99.08052	0.5
99.11692	0.4
101.05958	0.8
103.03845	0.4
103.07509	0.7
105.07004	3.5
107.04937	2.6
107.08559	4.9
109.02808	0.5
109.06512	1.2
109.10124	7.2
111.04366	0.9
111.07476	0.2
111.08061	2.5
111.11641	0.6
113.05906	0.4
115.03881	0.5
116.04682	8.0
117.05484	0.3
117.06973	1.4
117.09045	0.2
119.08567	3.1
121.06454	0.7
121.10120	1.9
121.11575	0.3
123.04369	0.3
123.08041	2.7
123.11668	2.7
124.08794	0.3
125.05931	0.3
125.08759	0.5
125.09606	7.8
126.10406	0.6
127.03920	2.3
127.07527	0.4
127.11130	1.0
128.38504	0.2
129.05450	19.9
129.06844	1.6
130.07690	0.3
131.08539	2.2
132.09288	0.3
133.06458	0.3
133.10089	3.0
135.08032	1.2
135.11650	1.6
136.08772	0.7
137.09592	1.3
137.13159	0.8
139.11154	0.2
142.07758	0.4
143.07004	5.4
143.10625	0.7
145.04968	2.4
145.10114	1.4
147.08032	0.5
147.11644	2.4
149.09572	1.1
149.13188	0.3
150.10161	0.3
151.11136	0.4
153.09012	1.0
153.12660	0.6
157.08578	9.6
157.10036	1.8
158.05688	0.8
159.08054	0.2
163.05969	3.2
163.11154	2.2
164.11879	0.5
165.12665	0.7
167.10620	0.4
171.06473	1.6
171.10141	3.2
172.10818	0.2
173.11610	0.4
175.11098	1.2
181.12164	0.9
185.08012	0.7
185.11661	1.3
189.11168	6.3
191.10619	0.9
192.11378	0.4
193.12189	2.5
199.13248	2.8
200.14091	2.0
209.11656	1.3
210.12456	0.6
211.13226	0.8
213.11185	0.4
217.14336	0.5
223.13219	0.4
227.12718	9.7
229.14323	0.7
239.23604	2.0
255.15916	2.1
257.24722	1.4
265.14075	0.4
267.15875	4.3
269.17401	0.6
283.15347	3.6
283.18573	0.4
284.16107	0.8
285.16895	0.3
301.16385	100.0
302.16675	1.7
308.08362	0.2
311.22061	0.9
313.27292	65.0
314.27704	1.8
331.28326	0.4
354.27554	0.3
367.28372	3.3
381.30026	0.7
395.31589	1.6
409.33203	0.7
416.90366	0.2
437.36090	0.7
438.37027	1.1
455.37109	0.3
467.31516	0.3
467.37289	1.7
493.38696	0.3
505.38718	3.9
521.38135	2.6
522.39032	1.7
523.39777	0.5
539.39307	71.6
540.39600	2.5
568.19122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46729	0.4
67.05494	13.3
69.03418	2.8
69.07058	5.8
71.01326	0.5
71.04971	1.8
71.08624	14.8
72.91547	0.4
73.02896	2.5
79.05486	10.5
81.03407	29.4
81.07044	18.9
82.03697	0.5
83.04971	7.6
83.08607	15.4
85.02894	18.9
85.06548	0.6
85.10175	8.4
89.06011	0.6
91.03940	5.0
91.05470	13.0
93.07027	7.6
95.04952	12.8
95.08596	13.7
97.02873	5.5
97.06522	1.5
97.10165	5.1
99.04475	0.8
99.08079	1.4
103.07570	0.6
105.07023	10.2
107.04926	2.9
107.08569	3.2
109.02848	0.5
109.06493	2.6
109.10147	5.8
111.04449	1.6
111.08070	5.5
111.11671	0.8
113.05989	1.3
117.07012	1.0
118.52888	0.4
119.08560	10.1
121.06528	0.7
121.10146	4.9
123.08060	1.8
123.11668	2.6
125.09646	0.8
127.03883	2.2
129.06993	5.2
131.08543	5.6
133.06445	1.2
133.10121	6.4
135.11743	0.6
137.09572	1.2
137.13234	0.7
142.07800	1.6
145.04945	2.2
145.10120	1.1
147.08000	1.3
147.11661	7.5
149.09618	3.1
151.11070	0.5
157.10083	7.6
157.50430	0.4
162.52481	0.5
163.05994	2.8
163.11191	0.8
165.12726	2.0
175.11169	9.1
193.12219	25.5
211.13263	38.4
238.44859	0.4
249.15022	0.7
253.25233	1.1
267.15884	13.7
271.26447	1.0
272.60123	0.5
285.16928	58.7
286.17279	1.2
313.27597	0.8
323.78925	0.8
327.28882	56.0
328.29352	1.7
354.36954	0.5
519.40350	13.3
520.40363	0.7
537.41437	100.0
538.41705	5.2
577.93451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.54
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	21.8
69.03416	3.2
69.07052	4.4
69.39500	15.5
71.04979	1.8
71.08619	16.0
72.51199	1.5
73.02898	1.8
74.88335	1.4
79.05476	12.5
81.03391	6.5
81.07034	18.9
83.04952	4.3
83.08607	9.2
85.02886	9.4
85.06545	2.0
85.10158	8.9
91.03923	8.0
91.05452	8.3
93.07018	11.6
95.04968	8.2
95.08586	16.6
97.02847	8.2
97.10127	11.2
99.04434	1.7
105.07008	4.2
107.04919	4.7
107.08560	6.4
109.06524	1.6
109.10140	9.2
117.07006	3.9
119.08552	4.0
121.06521	3.9
121.10126	3.3
123.11692	1.7
125.09621	7.8
127.03912	2.5
131.08577	3.6
133.10139	3.1
145.04955	3.0
149.13152	2.0
159.11682	4.9
163.06006	3.0
187.11200	2.9
189.11147	5.1
205.12184	3.2
223.13246	33.0
227.12657	4.9
229.14203	1.7
279.15833	2.6
297.16919	100.0
298.17184	2.7
313.27310	64.1
314.27905	2.4
339.99576	1.6
467.37012	7.3
535.39856	59.1
536.40424	3.3
553.40332	2.0
894.48853	15.3
895.48572	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	890.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88406	1.4
65.03930	4.1
67.05492	100.0
69.03419	7.0
69.07054	47.9
71.01340	1.1
71.04978	6.4
71.61904	1.9
73.02916	1.2
79.05477	46.3
81.03408	10.0
81.07039	79.6
82.07351	2.0
83.04966	9.5
83.08605	18.7
85.02899	5.4
85.06525	4.6
91.04885	2.7
91.05462	56.3
93.07022	56.7
95.04948	14.3
95.08587	42.2
97.02841	4.2
97.06508	17.3
97.10153	9.0
99.04414	1.9
99.08102	3.0
103.05437	1.4
105.04486	1.4
105.07005	39.1
107.04946	10.3
107.08573	34.7
109.02869	1.7
109.06482	6.5
109.10135	50.2
111.04430	1.9
111.08069	8.0
111.97101	1.3
113.21926	1.3
115.05437	2.0
115.07486	1.3
117.06993	18.5
119.04897	1.8
119.08558	35.8
121.06477	6.5
121.10126	19.1
123.08031	7.0
123.11655	4.0
125.09614	10.0
127.03901	3.0
127.07536	1.5
128.06195	1.8
129.05460	2.4
129.06964	6.7
131.08540	22.3
133.06470	2.3
133.10109	28.6
135.08038	5.0
135.11650	12.5
137.09592	13.3
139.11139	2.2
141.06973	3.1
143.08499	6.4
145.06464	2.1
145.10092	17.4
145.11153	2.0
147.07986	2.8
147.11656	13.4
149.09581	21.5
149.13206	10.1
151.07520	1.9
151.11151	5.2
153.09064	1.7
155.08530	2.2
155.10616	3.6
157.08836	1.6
157.10083	6.1
159.08083	1.5
159.11668	14.3
161.09593	3.2
161.13225	7.0
163.11131	12.4
163.14914	1.4
165.09048	1.9
165.12723	1.7
169.10089	5.0
171.10263	1.6
171.11682	5.3
173.11708	14.8
173.13226	5.6
175.11156	4.2
177.12698	6.2
179.14270	3.8
181.12169	1.7
183.11700	4.7
184.07275	2.4
185.13141	2.0
187.11150	2.8
187.14827	2.3
189.11243	7.2
189.12645	1.6
191.14278	1.9
193.12215	2.9
195.13779	5.0
197.13229	3.0
199.14842	1.8
201.12791	2.2
205.12456	1.5
211.13155	3.0
215.14377	2.0
225.12709	1.3
227.12759	12.0
229.14297	35.4
229.19394	2.5
233.18954	1.6
239.12590	1.5
239.17790	1.5
243.16002	1.9
247.20515	3.5
253.17908	1.6
255.15639	1.8
257.18875	9.1
259.15457	1.8
263.20166	2.0
267.15793	3.0
269.17398	16.9
273.18430	5.4
275.20007	51.3
285.16782	1.9
291.19537	9.2
293.21146	5.3
331.22519	3.1
349.23660	45.2
365.23181	6.0
367.24728	7.8
373.18466	2.3
383.24237	16.7
397.25952	1.5
398.05740	1.3
399.23557	1.7
409.25757	3.8
423.27289	19.1
431.27530	1.8
445.29297	1.7
449.29062	1.9
463.30231	2.9
503.33542	21.4
519.33057	2.5
521.34351	5.8
525.35596	1.8
527.29541	1.7
527.37317	1.9
529.35229	3.5
533.34601	1.8
543.36731	18.1
550.26031	1.4
559.36237	2.1
561.37598	2.9
623.42987	14.3
639.42035	1.7
641.43951	9.1
657.43506	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	2.0
67.05495	47.5
68.05801	0.6
69.03426	2.5
69.07056	12.4
69.51093	1.2
69.51520	2.0
71.04986	2.8
71.08617	0.7
73.02899	3.9
77.03908	0.8
79.05483	28.0
80.05785	0.7
81.03414	2.8
81.07045	58.0
82.07366	0.9
83.04975	3.6
83.08606	9.5
84.32127	0.3
85.02890	12.4
85.06528	2.1
87.04491	0.4
91.03942	7.8
91.04877	0.7
91.05465	19.3
93.07028	38.2
94.07364	0.4
95.04967	3.7
95.08592	28.1
96.04477	0.7
97.02879	5.8
97.06515	5.0
97.10164	2.2
99.04438	0.9
99.08074	1.2
101.02286	0.4
105.04507	0.7
105.07018	10.2
107.04946	0.6
107.08578	22.7
108.08900	0.5
109.02881	0.8
109.06496	1.6
109.10143	12.7
111.08053	2.9
111.11761	0.5
113.09585	0.5
115.05416	0.5
117.06992	6.6
118.46246	0.4
118.99041	0.4
119.08544	6.5
121.06489	1.4
121.10128	14.1
123.08035	1.0
123.11691	5.3
125.09647	0.7
127.03900	3.2
131.08563	8.7
133.10115	12.2
135.08025	1.1
135.11665	11.0
136.11998	0.4
137.09596	0.6
137.13214	0.6
139.11171	0.4
143.08522	0.5
144.09348	0.4
145.04936	3.9
145.10106	3.3
147.11696	3.9
149.09637	1.1
149.13235	10.9
151.11183	1.6
157.10132	0.7
159.11673	7.3
161.13228	3.0
162.07785	0.5
163.05983	3.0
163.14819	1.8
163.82112	0.4
165.12825	0.6
167.14368	0.8
171.11699	0.8
173.11801	0.5
173.13194	2.3
175.14856	1.1
177.12724	2.5
177.16339	0.7
179.14253	0.8
183.11688	0.5
185.13315	0.5
187.14819	1.3
195.13768	7.9
196.13947	0.4
201.16385	0.8
213.14793	0.6
229.14336	1.4
241.19495	0.4
243.21037	2.4
251.16574	0.5
253.14354	1.0
253.17915	1.0
254.14677	0.5
259.20648	0.7
261.22092	8.0
267.15829	1.8
269.17438	59.8
270.17819	1.5
273.18262	0.4
285.21750	0.4
291.19476	0.6
293.21130	1.3
317.24866	1.7
333.24219	0.6
335.25751	63.0
336.26022	2.5
347.25546	0.4
355.26285	0.4
358.46677	0.4
419.33057	1.1
437.34131	2.8
455.35312	1.5
473.36029	0.8
511.38281	1.9
521.34424	0.4
529.38818	100.0
530.39099	5.1
547.39954	3.5
673.42676	1.4
691.43195	0.8
888.49323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	7.0
67.05495	100.0
69.03422	12.6
69.07059	68.7
70.05361	4.7
70.07394	1.3
71.01353	4.4
71.04983	7.3
73.02907	4.0
73.06519	1.1
77.03928	1.6
79.05482	65.9
80.05798	1.5
81.03404	20.4
81.07045	81.9
82.07374	1.4
83.04967	12.9
83.08607	19.5
85.02892	9.2
85.06528	4.8
87.04439	1.6
87.64803	0.9
91.03931	2.0
91.05469	66.9
92.05790	1.3
93.07030	60.3
95.01357	1.4
95.04967	19.5
95.08593	47.8
97.02881	8.3
97.06512	20.8
97.10152	15.0
98.21440	1.4
99.04461	2.3
99.08082	3.0
103.03938	1.0
105.04514	0.9
105.07017	46.2
107.04935	12.8
107.07849	1.8
107.08578	37.2
109.02859	2.8
109.06506	8.4
109.10138	35.5
110.10496	1.1
111.04414	3.4
111.08096	9.1
111.11713	1.3
113.06010	1.5
113.09630	3.2
115.05455	2.8
115.07569	0.9
116.06211	1.3
117.07006	18.5
119.08566	33.8
121.06488	7.0
121.10132	16.3
123.04407	1.8
123.08047	10.0
123.11692	4.2
125.09609	13.4
127.03885	3.1
128.06186	2.1
129.05502	5.8
129.06978	10.3
130.07745	2.1
131.08549	23.4
133.06487	5.0
133.10110	29.1
135.08049	7.2
135.11667	17.3
137.08629	1.6
137.09593	15.7
139.07544	1.2
139.11102	1.4
141.06960	2.5
142.07779	3.1
142.40140	0.9
143.06989	1.4
143.08521	6.7
145.10106	17.3
147.08029	4.3
147.11664	14.3
149.09599	21.7
149.13179	5.7
151.11186	5.2
153.09033	1.9
153.12706	1.0
155.08542	3.8
155.10619	1.8
157.06448	1.3
157.08713	2.2
157.10109	6.8
159.08153	1.0
159.11671	13.7
160.12088	1.3
161.09592	3.6
161.13248	8.8
163.11151	12.7
165.09132	2.0
165.12775	1.2
167.10739	1.1
169.10086	3.8
171.10110	2.3
171.11646	3.8
173.04398	1.1
173.09653	1.9
173.11703	9.2
173.13246	4.3
173.14563	1.0
175.11163	4.7
177.12712	3.2
179.14314	5.7
181.12189	2.1
183.11638	3.0
185.11714	1.3
185.13202	2.1
187.11116	2.8
187.13284	2.0
187.14812	2.8
189.11174	4.6
189.12685	2.3
191.10635	1.2
191.14240	1.4
193.12239	3.0
195.13783	2.2
197.13298	2.4
199.13274	3.9
199.14886	1.3
201.12703	1.3
207.13748	1.0
209.11665	1.0
211.14914	1.6
213.16414	1.2
215.14331	1.4
215.17966	1.1
219.13730	1.8
223.13278	3.0
226.74431	0.9
227.12726	9.6
229.14284	12.0
229.19363	1.9
233.15202	0.9
239.17828	2.8
243.15865	4.2
247.20575	1.8
253.14226	2.0
253.17989	3.5
255.15752	5.7
257.19049	6.5
267.15878	4.2
269.17444	5.2
273.18445	5.6
275.20026	29.2
276.20572	1.2
283.15341	2.5
285.16922	2.9
291.19461	9.3
293.21054	3.4
297.16626	1.0
301.16367	1.4
321.24243	1.6
325.19983	1.6
331.22675	1.6
335.25674	1.5
349.23663	28.2
365.23053	2.6
383.24234	2.1
399.23618	3.9
409.25873	2.0
423.27176	1.4
433.29361	2.4
445.29434	1.6
503.33438	5.2
517.35364	2.0
527.37183	1.3
529.35052	1.8
543.36597	1.8
575.35870	1.2
623.42694	4.5
673.42633	3.1
691.43658	1.8
726.47015	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	4.5
67.05494	100.0
69.03431	7.7
69.06718	1.7
69.07061	27.0
71.01303	1.8
71.04993	6.2
71.62297	2.0
73.02887	3.5
73.06538	1.8
79.05482	48.4
81.03398	19.2
81.07046	67.6
83.04967	13.8
83.08605	22.5
85.02896	14.1
85.06511	5.2
87.04423	3.1
91.03954	2.1
91.05467	38.9
93.07028	48.2
94.07376	1.3
95.04950	13.1
95.08592	35.1
97.02881	7.5
97.06522	16.8
97.10155	20.6
99.04436	1.9
99.08069	2.3
105.07013	31.3
107.04938	9.2
107.08576	37.6
109.02863	1.9
109.06486	8.0
109.10137	58.5
110.06734	1.5
111.04416	4.4
111.08067	6.3
113.09634	1.4
115.05386	1.5
116.04628	1.2
117.07005	12.9
119.08562	26.8
120.14705	1.1
121.06461	5.8
121.10123	16.1
123.04399	2.0
123.08018	4.2
123.11655	2.8
125.09600	17.3
127.03888	4.4
129.05469	3.8
129.06981	6.1
130.07805	1.2
131.08556	18.7
133.06482	1.9
133.10115	18.8
135.08041	5.7
135.11668	15.0
137.09578	6.2
137.44527	1.4
139.11162	1.4
141.02902	1.3
141.06998	1.7
142.07715	1.9
143.06956	1.1
143.08528	3.4
143.10641	3.3
145.10097	16.6
147.07994	2.8
147.11647	11.6
149.09587	12.2
149.13228	8.7
151.11206	2.4
153.12675	3.0
155.08492	2.7
155.10606	2.3
157.08676	1.2
157.10083	3.6
159.11638	11.3
161.09569	1.5
161.13203	2.9
163.11124	13.1
165.12665	2.2
169.10068	1.7
171.11668	3.3
173.04471	1.6
173.09573	1.9
173.11699	15.6
173.13193	4.3
175.11159	2.5
177.12721	3.3
179.14240	2.3
181.12160	3.4
184.07317	1.6
187.11176	1.6
187.14713	1.6
189.11176	5.2
191.10638	2.6
193.12192	4.1
195.13721	4.9
195.27890	1.1
197.13274	1.8
199.13188	5.7
209.11687	6.0
211.13167	2.7
217.14284	2.0
219.13689	1.8
221.19199	1.2
227.12761	18.6
229.14302	40.5
229.19347	2.0
239.18024	2.9
247.20587	2.8
253.14377	2.3
255.15826	7.3
257.19119	5.7
265.14313	1.8
267.15887	11.0
269.17462	22.6
272.97659	1.3
275.20020	26.5
283.15341	5.0
285.16843	1.7
286.17178	1.6
291.19498	1.6
293.20950	3.9
301.16461	10.1
331.22647	2.0
335.25708	5.8
343.70447	1.3
349.23706	23.1
393.26520	1.5
399.23715	19.8
409.25882	7.8
413.21991	2.8
423.27371	20.4
447.27118	1.5
477.28595	1.5
481.28046	2.1
491.33884	2.1
495.29538	4.6
503.33743	12.5
529.38745	6.4
546.38483	1.9
575.35278	5.2
579.35004	3.7
593.36749	24.6
673.42975	9.1
691.43719	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	886.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86314	0.9
65.03914	1.9
67.05492	59.4
68.05814	0.8
69.03080	0.9
69.03417	10.6
69.07056	29.2
70.15910	2.2
71.04964	2.9
73.02901	1.1
75.24590	0.8
78.71352	0.8
79.05478	26.1
81.03403	10.7
81.07043	29.7
83.04964	6.5
83.08604	13.4
83.12428	0.8
85.02889	7.0
85.06524	2.9
87.04446	2.1
91.05461	23.0
93.07019	21.0
95.01318	1.1
95.04952	9.3
95.08586	13.4
97.02877	10.8
97.06502	5.1
97.10146	15.6
99.35462	0.9
100.60804	0.8
103.05463	1.4
105.07008	14.4
107.04934	8.2
107.08576	14.5
109.06504	4.7
109.10138	34.4
111.04459	1.3
111.08039	3.6
115.05431	1.0
117.07004	5.9
119.04905	1.3
119.08566	13.0
121.06480	2.8
121.10141	6.2
123.08037	4.3
123.11651	1.4
125.09613	14.3
127.03880	0.9
128.06119	1.2
129.05444	2.8
129.06966	3.6
130.07806	1.0
131.08546	9.6
133.06447	2.8
133.10107	7.8
134.07239	1.0
135.07997	5.0
135.11656	3.3
137.09595	3.6
142.07729	1.3
143.08502	3.2
143.10657	1.9
145.10101	8.1
147.08041	4.9
147.11653	3.1
149.09599	2.8
149.13210	2.4
151.11166	1.3
153.12773	1.6
155.10689	2.0
157.10095	3.1
159.07974	1.1
159.11685	3.0
161.09583	2.1
162.10246	1.0
163.11121	4.3
165.09106	1.2
169.12267	1.3
171.11691	1.7
173.09528	1.6
173.10321	1.1
173.11716	10.8
175.11176	2.8
177.12747	2.0
189.11185	3.4
189.12675	1.2
191.10580	1.5
193.12170	2.7
199.13275	4.4
205.12199	1.0
209.11710	3.3
211.13213	1.1
223.13235	16.4
227.12718	8.3
229.14311	30.1
249.14903	2.8
253.14268	3.1
255.17410	1.4
265.14261	1.5
267.15762	5.7
271.15317	0.9
273.18423	15.8
274.18701	0.8
283.15332	3.5
291.19492	100.0
292.19760	3.2
301.16507	8.1
313.27322	1.2
335.26062	1.2
347.21988	1.7
365.23160	37.4
382.73883	0.9
399.23709	13.3
425.25305	1.2
489.31726	2.7
507.32916	2.3
519.33136	31.6
520.33685	1.1
527.37378	1.2
557.35681	1.1
573.33972	2.5
591.35272	8.4
609.35779	1.7
689.42456	17.0
887.49103	1.3
899.16498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.6
67.05495	11.4
68.30752	0.3
69.03419	3.0
69.07062	3.6
70.82010	0.3
70.82379	0.9
71.04977	2.3
73.02911	1.1
77.03899	0.4
79.05482	13.5
79.05947	0.7
81.03408	59.1
81.07045	13.4
82.03722	0.4
83.04968	6.9
83.08608	17.0
85.02892	9.0
85.06527	1.2
91.03941	2.0
91.05468	16.9
93.07027	9.2
95.04956	21.1
95.08593	5.5
97.02876	3.6
97.06531	2.6
97.10156	5.0
99.04462	0.4
99.08059	0.8
103.05452	0.3
105.03355	0.5
105.07015	13.7
107.04940	5.7
107.05614	0.6
107.08585	6.3
109.02826	0.5
109.06510	3.5
109.10126	2.7
111.04433	1.8
111.08068	6.8
111.08835	0.3
113.05974	1.1
115.05455	1.1
117.07013	2.1
119.04930	1.2
119.08567	12.5
121.06491	3.3
121.10126	5.7
123.04377	0.6
123.08054	2.5
123.11700	0.9
125.05956	0.3
125.09596	3.7
127.03906	0.8
127.07540	0.4
128.06184	0.6
129.06987	9.2
131.04935	0.8
131.08549	8.8
133.06468	3.3
133.10120	6.2
135.08043	1.3
135.11696	0.9
137.05974	0.6
137.09592	1.3
141.06918	0.8
142.07745	2.3
143.08551	0.8
145.04941	0.6
145.06473	4.3
145.10086	2.6
147.04388	0.8
147.08038	4.0
147.11665	10.2
149.09598	5.7
151.11203	0.4
153.09131	0.8
155.08490	0.9
157.06505	1.3
157.10109	11.6
159.08060	1.0
159.11694	0.8
161.05988	0.7
161.09610	0.7
163.05997	1.0
163.11139	1.5
165.12730	2.2
167.07042	0.3
169.10100	0.8
171.08052	1.3
171.11652	0.9
173.09584	0.6
173.11777	0.4
175.11166	10.5
176.11485	0.3
177.12793	0.4
181.10121	0.5
183.08005	0.3
183.11610	0.4
185.09593	0.9
185.13249	0.7
187.11147	0.5
189.11217	1.5
189.12755	0.6
193.12218	28.8
194.12555	0.6
195.11653	1.1
195.70903	0.3
196.10231	0.3
197.09473	0.5
197.13283	1.2
199.11176	0.4
203.14296	0.4
205.12212	1.2
205.15927	0.3
207.13846	0.3
209.13330	0.3
211.11290	0.7
211.13235	12.2
213.12671	0.7
215.14310	0.5
220.22144	0.3
223.11244	0.4
223.13231	0.7
226.52699	0.3
227.12610	0.8
227.14383	0.8
229.14328	1.1
231.13852	0.8
233.15359	1.1
235.13281	1.0
237.12801	0.7
241.14297	0.3
249.14903	1.4
255.13773	1.7
255.57233	0.3
257.15475	0.4
259.13129	0.6
267.15875	100.0
268.16251	2.6
273.14825	4.6
283.15027	0.7
285.16931	10.9
287.16156	0.5
301.14288	0.8
309.16904	0.8
311.16382	0.5
313.21771	0.3
321.22122	0.5
323.19177	0.6
339.23135	1.0
341.21112	2.0
349.21558	2.5
357.24246	0.7
359.22580	0.3
367.22620	6.4
385.23666	8.5
386.24203	0.5
403.24802	2.9
405.24020	0.8
415.24695	0.7
433.25821	17.7
434.26135	0.8
441.26303	7.9
442.26593	0.5
449.28964	0.4
459.27347	86.7
460.27655	3.7
477.28424	54.8
478.28665	2.2
491.30304	1.5
495.29755	0.4
501.28619	2.0
509.30753	1.0
519.29376	3.4
525.28070	0.5
543.29950	0.4
567.29413	0.9
573.30420	0.9
585.30621	2.5
603.31360	1.9
604.31439	0.4
621.32611	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64552	2.1
64.19036	2.1
65.03890	2.7
67.05490	49.9
69.03423	22.9
69.07053	27.8
69.54533	17.5
71.04965	9.1
73.02893	4.2
79.05484	41.6
81.03405	78.9
81.07040	56.5
82.07376	2.1
83.04961	17.9
83.08601	20.5
85.02893	20.6
85.06523	3.3
91.03957	2.6
91.05463	53.0
93.07024	39.1
95.01312	4.4
95.04960	25.4
95.08596	31.9
95.80936	2.5
97.02881	21.8
97.06516	49.4
97.10146	5.8
98.21459	4.9
99.04429	8.1
105.04517	2.4
105.07012	59.0
107.04943	21.3
107.08576	23.5
109.02863	13.5
109.06497	6.3
109.10139	13.6
111.04411	7.4
111.08057	9.9
115.05450	4.7
117.06992	18.6
119.08564	37.0
121.06487	9.1
121.10107	15.6
123.04469	2.8
123.08038	6.3
123.11710	3.1
125.09602	5.0
127.03879	14.8
128.06140	3.5
129.05452	5.2
129.07011	11.9
131.04863	2.8
131.08540	27.7
133.06450	7.2
133.10098	39.0
135.08025	7.8
135.11671	13.0
137.09590	8.2
141.07039	2.8
142.07736	3.6
143.08517	5.2
145.06454	3.2
145.10101	21.8
147.07988	6.0
147.11676	22.9
149.09567	13.3
149.13226	4.0
151.11081	2.7
155.08501	3.3
157.10091	14.1
159.11665	15.3
161.09624	3.6
161.13226	6.4
163.11134	9.5
165.12701	4.2
169.10091	4.4
171.11649	6.5
173.04463	10.4
173.13275	4.7
175.11142	13.8
177.12703	4.4
179.14236	11.2
183.11636	4.2
185.13184	3.3
187.11157	4.8
189.11142	3.9
189.12683	2.8
193.12204	24.7
211.13235	32.3
227.12747	5.3
229.14339	3.0
229.19643	2.3
239.17949	3.0
247.20486	3.3
249.14803	3.4
257.18912	7.7
267.15860	44.3
269.17279	3.9
275.20010	85.1
285.16949	13.7
293.21158	6.0
299.38672	2.5
337.16428	2.6
349.23691	39.4
355.17374	4.1
393.19089	3.1
411.19922	4.7
429.21213	30.2
461.28922	3.4
523.34235	3.1
525.36157	2.3
541.35181	100.0
559.36157	37.5
583.36365	3.4
623.33789	5.5
629.59119	2.6
667.38379	2.6
685.39081	8.8
703.40399	71.1
721.40784	8.6
883.41901	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	883.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64552	2.1
64.19036	2.1
65.03890	2.7
67.05490	49.9
69.03423	22.9
69.07053	27.8
69.54533	17.5
71.04965	9.1
73.02893	4.2
79.05484	41.6
81.03405	78.9
81.07040	56.5
82.07376	2.1
83.04961	17.9
83.08601	20.5
85.02893	20.6
85.06523	3.3
91.03957	2.6
91.05463	53.0
93.07024	39.1
95.01312	4.4
95.04960	25.4
95.08596	31.9
95.80936	2.5
97.02881	21.8
97.06516	49.4
97.10146	5.8
98.21459	4.9
99.04429	8.1
105.04517	2.4
105.07012	59.0
107.04943	21.3
107.08576	23.5
109.02863	13.5
109.06497	6.3
109.10139	13.6
111.04411	7.4
111.08057	9.9
115.05450	4.7
117.06992	18.6
119.08564	37.0
121.06487	9.1
121.10107	15.6
123.04469	2.8
123.08038	6.3
123.11710	3.1
125.09602	5.0
127.03879	14.8
128.06140	3.5
129.05452	5.2
129.07011	11.9
131.04863	2.8
131.08540	27.7
133.06450	7.2
133.10098	39.0
135.08025	7.8
135.11671	13.0
137.09590	8.2
141.07039	2.8
142.07736	3.6
143.08517	5.2
145.06454	3.2
145.10101	21.8
147.07988	6.0
147.11676	22.9
149.09567	13.3
149.13226	4.0
151.11081	2.7
155.08501	3.3
157.10091	14.1
159.11665	15.3
161.09624	3.6
161.13226	6.4
163.11134	9.5
165.12701	4.2
169.10091	4.4
171.11649	6.5
173.04463	10.4
173.13275	4.7
175.11142	13.8
177.12703	4.4
179.14236	11.2
183.11636	4.2
185.13184	3.3
187.11157	4.8
189.11142	3.9
189.12683	2.8
193.12204	24.7
211.13235	32.3
227.12747	5.3
229.14339	3.0
229.19643	2.3
239.17949	3.0
247.20486	3.3
249.14803	3.4
257.18912	7.7
267.15860	44.3
269.17279	3.9
275.20010	85.1
285.16949	13.7
293.21158	6.0
299.38672	2.5
337.16428	2.6
349.23691	39.4
355.17374	4.1
393.19089	3.1
411.19922	4.7
429.21213	30.2
461.28922	3.4
523.34235	3.1
525.36157	2.3
541.35181	100.0
559.36157	37.5
583.36365	3.4
623.33789	5.5
629.59119	2.6
667.38379	2.6
685.39081	8.8
703.40399	71.1
721.40784	8.6
883.41901	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	882.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05161	1.4
67.05495	19.6
69.03422	1.7
69.07057	12.9
70.22810	3.7
71.04984	2.6
71.08619	16.3
73.02903	3.5
78.21420	0.9
79.05480	10.4
81.03406	2.5
81.07043	55.7
83.04972	3.7
83.08601	12.3
84.65277	0.7
85.02892	10.2
85.06526	3.1
85.10175	9.2
88.92857	0.8
89.06013	1.4
91.03941	6.0
91.05470	14.7
93.07043	7.1
95.04953	2.5
95.08591	21.0
97.02875	5.6
97.06499	3.9
97.10140	4.3
98.21505	0.7
99.04472	0.8
99.08068	3.6
99.52841	0.7
101.05981	1.5
105.07014	20.7
107.04931	1.1
107.08576	8.3
109.06503	2.3
109.10151	7.1
111.08056	1.5
111.11701	1.0
113.06002	1.1
119.08561	16.5
119.09344	1.3
121.10124	12.3
123.08082	1.8
123.11694	22.7
123.12573	1.5
127.03907	1.9
127.07564	2.0
133.10138	2.1
137.09633	0.7
137.13281	2.4
141.09109	1.3
145.04953	2.8
145.10107	1.3
145.39867	0.8
147.11662	50.0
155.89857	0.9
157.10103	1.9
163.05981	4.3
163.59360	0.8
165.12730	20.6
175.11122	2.5
183.13811	2.6
183.32259	0.6
193.12317	2.3
211.13246	1.4
216.98506	0.7
229.14359	3.0
239.23698	2.4
257.24609	1.5
267.15869	80.9
268.16061	1.0
283.15350	1.0
285.16916	95.3
286.17340	1.7
313.27307	92.1
314.27689	1.6
331.28482	3.2
523.39874	100.0
524.40308	3.1
625.00250	0.8
636.83679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.3
67.05494	8.5
69.03417	2.0
69.06718	0.4
69.07060	4.2
69.54994	1.8
69.55405	0.4
71.04966	1.0
71.08621	10.0
73.02900	1.2
79.05476	5.2
79.05901	0.5
80.18348	0.2
81.03405	23.8
81.07043	12.1
81.94122	0.2
82.03716	0.3
83.04968	5.2
83.08607	13.4
85.02895	11.7
85.03422	0.4
85.06523	0.8
85.09703	0.5
85.10173	6.2
86.04387	0.3
86.15096	0.2
87.04463	0.5
89.06052	0.4
91.03937	3.1
91.04888	0.4
91.05463	7.5
93.07037	4.4
95.04951	8.9
95.08591	10.0
96.04470	0.5
96.08949	0.3
97.02883	3.6
97.06532	1.1
97.10152	2.8
98.20737	0.6
99.04436	0.6
99.08071	0.5
99.11741	0.6
105.07015	5.1
107.04944	1.9
107.08589	2.8
109.06510	1.8
109.10136	4.3
111.04446	1.0
111.08057	4.6
113.05999	1.1
115.03944	0.3
115.05418	0.4
117.07026	0.8
119.08567	5.0
121.06467	0.8
121.10131	2.9
123.08056	1.0
123.11687	2.2
125.09629	0.5
127.03911	1.1
129.06985	3.3
131.08546	3.5
133.06480	0.9
133.10106	3.1
135.11734	0.6
137.09616	0.6
137.13225	0.6
142.07761	0.7
145.04977	1.2
145.10127	1.0
147.08023	1.1
147.11668	5.5
147.12785	0.5
149.09586	2.4
151.11198	0.4
151.14799	0.3
153.12688	0.3
157.10098	5.1
157.11288	0.5
160.09805	0.2
163.06041	1.2
163.11163	1.1
165.12755	1.0
168.14194	0.3
175.11169	6.1
184.07240	0.5
193.12215	19.4
211.13258	24.9
229.14183	0.3
230.55998	0.3
239.23697	0.9
257.24738	0.7
267.15878	9.1
283.15387	2.9
284.15701	2.8
285.16925	24.0
286.17294	0.6
313.27310	32.9
314.27618	3.1
315.28024	1.2
315.58304	0.3
429.21368	0.9
441.78720	0.3
505.38785	7.7
506.28140	0.3
521.38239	1.8
522.38782	2.1
523.39838	100.0
524.40137	3.5
572.69946	0.3
667.44238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.54
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55961	0.3
65.03911	0.6
67.05496	11.2
69.03423	2.1
69.07057	5.5
69.54002	1.3
69.54430	1.6
71.04974	2.0
71.08618	11.5
73.02894	2.1
79.05482	7.9
81.03404	26.0
81.07045	15.0
83.04974	6.3
83.08606	14.0
85.02892	16.4
85.06508	1.0
85.10168	7.3
85.29164	0.3
87.04413	0.4
89.06022	0.6
91.03945	5.4
91.05465	11.4
93.07024	5.8
95.04959	10.2
95.08591	12.4
97.02877	5.2
97.06464	1.3
97.09612	0.4
97.10155	3.8
99.04402	0.6
99.11676	0.3
103.07519	0.6
105.07015	8.5
107.04951	3.2
107.08549	2.3
109.02831	0.5
109.06514	1.8
109.10148	5.0
111.04386	0.9
111.08067	4.8
113.05952	1.0
115.03828	0.4
115.05401	0.5
117.07018	0.7
119.08565	7.7
121.06474	0.3
121.10136	3.2
123.08003	1.1
123.11665	2.2
125.09505	0.3
127.03870	2.4
127.07506	0.5
129.07010	4.0
131.08543	4.9
133.06439	1.4
133.10104	5.0
135.11703	0.4
137.09590	0.8
137.13223	0.7
142.07744	0.9
145.04971	2.2
145.10106	0.7
146.86615	0.3
147.08034	1.7
147.10516	0.3
147.11656	7.0
149.09613	2.7
157.10095	7.0
163.06020	3.3
163.11185	0.6
165.12726	1.1
165.16328	0.4
172.05638	0.3
175.09738	0.5
175.11162	6.5
193.12218	21.2
194.12518	0.5
211.13255	33.9
212.13649	0.6
223.15601	0.3
239.23621	1.2
249.14790	0.4
257.24762	1.1
267.15863	14.3
268.16360	0.4
285.16919	53.6
286.17255	0.9
300.30115	0.3
313.27316	54.7
314.27765	1.3
376.00385	0.4
435.30493	0.4
505.38858	14.4
523.39868	100.0
524.40173	4.6
667.43347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98123	0.2
65.03912	0.6
67.05494	10.9
69.03414	2.5
69.07056	5.8
69.55527	0.4
69.55951	1.2
71.01313	0.2
71.04985	1.8
71.08620	15.3
73.02902	2.1
75.04437	0.2
77.03941	0.2
79.05479	7.8
81.03403	23.8
81.07042	15.9
83.04968	5.5
83.08604	14.0
85.02891	15.1
85.06492	0.8
85.10168	9.1
87.04446	0.4
89.05984	0.8
91.03941	4.8
91.05466	11.3
93.07029	6.0
95.04955	10.0
95.08588	14.9
96.04473	0.3
97.02871	4.1
97.06514	1.5
97.10152	3.7
99.04427	0.5
99.08032	0.6
99.11681	0.6
103.03754	0.2
103.07533	0.5
105.07011	7.9
107.04945	2.6
107.08585	2.3
109.02785	0.3
109.06516	1.9
109.10133	5.5
111.04396	1.2
111.07349	0.3
111.08061	4.4
111.11665	0.6
113.05984	1.1
115.05408	0.7
117.07005	0.5
118.52608	0.2
119.04889	0.3
119.08566	6.6
121.06439	0.8
121.09299	0.3
121.10114	3.4
123.07996	0.8
123.11665	2.5
125.09582	0.4
127.03880	1.5
127.07516	0.3
128.06218	0.2
129.06984	4.5
131.07567	0.3
131.08540	4.5
133.06490	1.1
133.10107	4.7
135.11578	0.3
137.09601	0.9
137.13216	0.9
142.07765	1.0
144.06395	0.2
145.04935	1.8
145.10085	1.0
147.08051	1.2
147.11664	6.0
149.09595	2.6
149.13205	0.3
151.14845	0.2
157.10103	6.3
163.05991	2.0
163.11122	0.5
165.12750	1.1
175.11154	6.3
179.18018	0.2
180.08536	0.2
193.12209	17.6
194.12520	0.3
211.13252	21.4
212.13589	0.3
223.68388	0.2
239.23535	1.3
246.86818	0.2
249.14819	0.6
257.24728	0.9
267.15872	12.3
283.15204	0.3
285.16916	33.5
286.17267	0.6
313.27307	63.6
314.27582	1.8
429.21582	0.3
492.20270	0.2
505.38818	16.7
506.39258	0.6
523.39856	100.0
524.40289	3.3
667.44177	0.5
905.69196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	7.3
65.03928	0.6
67.05491	17.2
69.03413	3.1
69.07056	17.8
69.28342	7.0
71.04964	3.5
71.08593	1.4
73.02885	2.9
79.05479	12.9
81.03403	33.0
81.07037	23.6
83.04963	9.8
83.08601	24.7
85.02887	22.0
85.06511	1.1
85.10165	0.7
91.03934	7.7
91.05461	14.8
93.07024	15.1
95.04945	12.7
95.08585	15.2
95.09154	1.1
97.02866	7.3
97.06524	4.0
97.10152	7.5
98.95667	0.6
99.08073	1.3
103.03944	0.6
105.06365	1.0
105.07009	10.6
107.04930	2.9
107.08572	8.4
109.06496	2.6
109.10137	5.2
111.04428	1.4
111.08047	6.9
111.11687	2.1
113.06011	0.9
117.06989	1.6
118.56938	0.6
119.08561	9.5
121.06496	1.0
121.10117	11.0
123.08055	1.8
123.11691	2.7
125.09586	1.1
127.03875	2.2
129.06989	4.9
131.08557	5.7
133.06453	1.6
133.10100	7.2
135.11661	4.7
135.28267	0.7
137.09569	1.2
137.13217	1.7
142.07687	1.3
145.04926	2.3
145.10081	1.2
147.08011	1.7
147.11665	8.4
149.09590	3.9
149.13235	2.6
157.10098	9.0
163.05971	2.6
165.12729	2.0
169.72021	0.5
175.11143	9.3
177.16479	0.6
184.07356	2.3
193.12209	27.4
194.12576	0.8
208.89862	0.6
211.13245	39.7
219.21133	1.1
237.22058	1.7
242.50819	0.6
249.41429	0.5
267.15845	13.8
267.18579	1.2
283.15103	0.8
285.16904	54.4
286.17389	1.7
311.25742	49.2
312.26114	1.9
327.73441	0.6
503.37222	14.0
504.37671	1.4
521.38275	100.0
522.38751	6.2
523.05988	0.7
627.21051	0.7
755.98956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	7.1
61.03208	0.2
67.05493	8.1
69.03417	1.6
69.07054	4.7
71.01307	0.7
71.04978	2.0
71.08618	12.2
71.59294	0.2
73.02902	2.9
73.06508	0.2
74.09649	0.2
79.05476	8.3
81.03402	5.1
81.07040	13.1
81.92538	0.2
83.01323	4.2
83.04485	0.3
83.04960	5.1
83.08601	10.1
85.02888	12.2
85.06483	0.8
85.10167	7.7
89.06019	0.9
91.03935	6.4
91.05460	5.1
92.15829	0.2
93.07026	11.0
95.04945	3.3
95.08585	12.1
96.04435	0.4
97.02869	6.2
97.06508	2.3
97.10148	3.3
99.04436	1.9
99.08031	0.5
99.11685	0.6
101.02350	0.2
103.05425	0.3
103.07528	0.8
105.04459	0.3
105.07008	4.0
107.04929	4.1
107.08572	5.5
109.02824	0.7
109.06492	3.2
109.09461	0.3
109.10135	4.6
109.87766	0.2
111.04421	1.2
111.08057	1.1
111.11651	0.8
113.13238	0.2
115.03873	0.6
117.06214	0.3
117.06993	3.5
119.07808	0.3
119.08559	4.0
121.06487	1.8
121.09317	0.2
121.10118	4.3
123.08048	4.5
123.11690	2.2
125.05967	1.1
125.09543	0.7
125.13161	0.2
127.03889	2.9
129.06934	0.7
130.07732	0.7
131.04832	0.4
131.08540	1.5
133.10106	1.3
135.08060	1.2
135.11661	6.4
137.09541	0.7
137.13185	0.5
139.07500	0.6
139.11176	0.2
141.75293	0.2
143.08559	0.4
144.06538	0.2
145.04893	3.4
145.06396	0.6
145.10094	8.6
146.10339	0.2
147.08005	1.2
147.11623	0.3
149.05888	0.2
149.09525	0.6
151.11075	0.2
151.14716	0.5
153.12756	1.4
155.08470	0.8
163.05986	4.2
163.11148	14.0
164.11450	0.4
173.09566	2.2
180.08495	0.2
181.12195	2.1
191.10632	1.3
204.08644	0.2
209.11670	3.6
227.12737	1.8
239.23595	1.4
257.24713	1.2
283.15335	100.0
284.15656	2.7
313.27295	71.9
314.27643	2.1
428.26215	0.2
521.38275	51.0
522.38605	3.3
595.72748	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	4.6
65.06062	0.4
66.47538	0.4
67.05492	11.5
69.03377	1.5
69.06728	0.4
69.07052	5.8
69.34546	3.1
69.34972	1.3
71.04948	1.2
71.08617	14.3
73.02899	2.2
78.26099	0.4
79.05482	9.2
81.03407	2.8
81.07041	14.6
83.01323	1.1
83.04955	3.1
83.08605	9.6
85.02889	6.5
85.06504	0.8
85.09722	0.6
85.10171	8.8
89.05981	1.0
91.03939	4.4
91.05459	3.8
93.07024	15.0
94.07332	0.5
95.04954	3.6
95.08589	23.7
97.02354	0.4
97.02873	5.0
97.06464	1.9
97.10155	2.8
99.04462	2.5
99.08045	0.6
99.11710	0.7
103.07569	0.5
105.07005	2.8
107.04927	4.4
107.07868	0.6
107.08572	10.5
109.06454	1.7
109.10123	6.2
111.04436	0.9
111.08096	0.5
111.11700	0.7
113.05947	0.5
114.83849	0.4
116.33136	0.4
117.06997	4.0
117.09102	0.4
119.08572	4.5
121.06480	2.7
121.10126	6.7
123.08083	2.0
123.11680	2.7
125.05937	1.9
125.09553	0.7
127.03865	1.2
130.07701	0.5
131.08511	1.2
133.10069	1.5
135.08009	0.7
135.11668	23.0
136.11981	0.6
137.13223	0.8
139.07492	0.9
145.04892	1.2
145.10095	14.7
145.49692	0.4
153.12729	1.1
163.05991	2.0
163.11150	34.5
164.11464	0.9
173.09555	1.2
181.12196	5.5
191.10550	0.7
209.11598	2.2
227.12747	32.7
229.12958	0.5
239.23677	1.1
257.24701	1.5
283.15347	88.4
284.15692	2.3
313.27304	87.4
314.27673	2.7
521.38300	100.0
522.38611	5.0
544.47131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	3.0
65.03951	0.8
67.05161	1.3
67.05493	16.4
68.06249	0.6
69.07058	5.4
70.87247	1.7
70.87585	0.7
71.08630	10.1
73.02907	1.2
79.05479	21.9
81.03402	2.2
81.07043	15.3
83.04951	4.1
83.08616	5.0
85.02873	2.5
85.06525	1.5
85.10178	5.5
91.03934	2.0
91.05471	16.8
93.07029	20.9
95.04960	6.5
95.08594	14.1
97.02890	2.2
97.06528	0.9
97.10151	2.3
102.27459	0.7
105.04485	0.8
105.07019	11.5
107.04939	1.8
107.08578	6.2
109.06477	1.9
109.10126	4.4
111.08105	1.0
117.06997	3.1
119.08562	8.1
121.06527	1.0
121.10116	1.3
123.08082	1.6
123.11654	1.3
129.06978	5.6
129.93956	0.8
133.10094	3.6
143.08530	3.2
145.05006	0.7
145.10123	3.3
147.11658	13.4
161.09540	0.8
161.13214	4.6
171.11673	9.2
189.12746	3.5
201.68195	0.7
207.13760	13.0
239.23723	0.7
257.24820	0.9
281.17444	44.2
282.17896	1.6
313.27316	38.7
506.45361	0.8
519.40369	100.0
520.40771	5.9
748.14606	0.9
768.11487	0.7
906.95862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.6028
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.1
63.29027	0.8
63.73242	0.8
63.73716	0.8
67.05496	10.1
69.03408	3.2
69.07065	5.3
69.69231	4.2
69.69656	1.6
70.06572	1.0
71.08621	1.2
79.05469	6.9
80.05010	2.3
81.03413	1.5
81.05782	1.6
81.07041	8.2
82.06580	6.0
83.08600	5.6
84.60463	0.9
85.02899	9.4
91.05463	6.8
93.07029	9.8
94.06554	17.8
95.04938	1.7
95.07352	6.8
95.07890	1.1
95.07986	1.0
95.08578	7.1
96.08109	5.7
97.02877	2.8
97.10164	3.9
98.89214	1.1
105.07012	6.0
107.08575	5.4
108.08102	2.8
109.02852	1.0
109.10154	4.1
119.08566	6.2
121.10123	5.6
122.09654	1.8
123.11714	1.2
127.03893	1.9
133.10117	3.8
135.10391	0.9
135.11664	3.2
137.13274	1.2
145.04973	1.4
147.11664	1.6
154.84537	0.9
233.22606	2.2
245.22647	3.9
250.25253	8.4
262.25269	100.0
263.23395	0.9
263.25836	1.2
272.25751	3.6
280.26349	6.7
457.51654	0.8
504.47760	4.4
516.47729	36.8
518.48993	4.6
534.48712	24.4
696.53613	7.0
858.59076	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	874.551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	3.2
64.52505	1.4
65.03936	2.8
67.05499	100.0
69.03407	8.2
69.06717	3.2
69.07063	39.4
71.04997	8.5
71.62941	2.2
73.02887	3.0
79.05484	60.5
81.03419	14.7
81.07049	93.1
83.04981	12.4
83.08609	25.4
85.02891	6.4
85.06523	6.4
86.09702	2.0
91.03960	1.7
91.05471	53.6
93.07038	69.7
95.04964	13.3
95.08597	43.2
97.02872	3.2
97.06529	20.1
97.10152	17.8
99.08067	4.2
105.07022	47.9
107.04956	11.9
107.08589	53.4
109.02871	3.0
109.06483	10.8
109.10148	50.6
111.08036	7.5
113.09579	2.3
115.05437	2.2
115.50163	1.7
117.06994	20.9
119.07782	2.4
119.08576	34.5
121.06477	5.9
121.10136	23.4
123.08023	5.2
123.11694	8.1
125.09616	13.7
127.03870	3.9
129.06979	7.8
129.65150	1.5
131.08556	24.6
133.06506	2.0
133.10124	34.6
135.08051	8.5
135.11676	20.5
137.09595	6.5
139.11172	1.6
141.06978	2.8
143.08540	7.0
145.06323	2.1
145.10114	27.3
147.08022	2.3
147.11674	18.6
149.09619	19.0
149.13208	15.0
151.11165	3.7
153.09097	1.7
153.57193	1.5
155.08565	3.9
157.10086	7.5
159.08023	2.2
159.11647	21.6
161.09573	3.0
161.13251	5.5
163.11151	10.8
165.12749	2.6
169.10109	6.7
171.10266	2.1
171.11679	6.3
173.04457	2.5
173.09576	1.9
173.11711	10.3
173.13251	11.4
175.11194	3.6
175.14839	2.0
175.16486	1.5
177.12733	6.8
179.14331	3.9
181.10017	1.8
183.11662	5.4
184.07339	10.2
185.11694	1.6
185.13254	3.8
187.11157	4.5
187.14865	2.9
189.11211	8.6
193.12141	1.9
195.13759	5.0
197.13277	3.2
199.14873	2.4
201.12685	1.9
211.14833	2.1
227.12759	25.4
229.14317	29.9
229.19524	4.5
239.17914	4.8
247.17232	1.6
247.20551	3.4
255.15906	8.1
257.18979	13.9
267.15985	4.8
269.17410	36.0
273.18451	2.4
275.20041	71.4
293.21100	6.9
305.11603	1.6
313.21649	1.9
331.22635	6.8
346.70407	1.7
349.23697	69.7
367.24661	16.5
383.24280	2.5
409.25867	9.4
413.21701	2.1
423.27426	30.0
445.29413	3.8
449.28949	13.4
451.32117	2.7
463.30484	30.0
485.32642	2.4
503.33606	27.1
519.33124	3.9
521.34937	7.6
525.35822	9.2
529.35028	8.8
541.35193	2.5
543.36774	69.7
547.35938	4.4
559.36707	1.9
561.37817	19.9
607.34198	4.1
623.42902	24.5
641.44220	17.1
659.44330	2.8
687.40979	3.4
803.46277	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02888	1.3
61.81596	1.2
64.05357	1.2
65.03926	3.8
67.05495	87.3
68.05810	1.5
69.03415	12.5
69.07057	45.5
69.56123	6.5
69.56541	3.5
71.04435	1.6
71.05003	6.6
73.02896	1.5
74.61459	1.3
77.03870	1.6
79.05479	45.8
81.03416	11.5
81.07044	69.9
82.07349	1.3
83.04994	9.9
83.08603	21.8
85.02888	3.6
85.06536	5.1
86.09690	1.7
91.05466	43.2
93.07034	49.3
95.04955	15.0
95.08594	30.3
97.02879	11.1
97.06512	13.1
97.10152	22.9
99.08089	3.0
103.05447	2.3
105.04565	1.4
105.06295	1.5
105.07014	31.4
107.04941	14.6
107.08580	37.4
107.09281	2.5
109.06499	7.3
109.10143	44.5
111.04414	2.2
111.08054	4.9
115.05441	2.7
117.07006	16.5
119.08564	26.4
121.06502	7.2
121.10130	15.4
123.08048	7.3
123.11716	4.1
125.09597	18.9
127.03904	1.5
129.06975	7.3
130.07814	1.6
131.08549	21.4
133.06477	4.7
133.10098	22.6
135.08032	7.7
135.11671	9.0
137.09612	6.0
141.06995	1.8
143.08598	6.6
145.06483	1.4
145.10089	14.5
147.08017	7.2
147.11671	12.2
149.09625	9.8
149.13264	8.0
151.11118	5.8
153.09045	1.8
155.08546	2.1
157.10121	4.7
159.08063	3.2
159.11646	9.8
161.09601	6.0
161.13202	2.5
163.07573	1.4
163.11159	6.9
163.14914	1.2
165.09122	2.4
169.10059	1.9
171.11668	3.3
173.11739	10.7
173.13266	3.3
175.11169	3.8
177.12758	3.4
179.10590	1.6
179.14204	1.4
183.11646	2.8
184.07352	5.4
185.13193	1.9
187.11197	1.8
189.11159	7.0
189.12708	1.4
191.14108	1.2
193.12236	2.3
195.13808	2.9
197.13237	1.8
203.14304	1.2
205.12180	1.9
207.09944	1.5
209.13304	1.4
211.13249	3.5
223.13228	19.8
227.12712	19.4
227.17941	1.6
229.14297	29.3
239.17986	2.1
245.19017	3.7
249.14803	4.8
253.14363	4.7
257.19098	6.8
266.18390	1.4
267.15897	2.5
269.17438	20.7
273.18469	21.0
275.20023	27.7
291.19495	100.0
292.19788	2.4
293.21127	2.5
309.20566	1.5
331.22650	1.7
333.24442	1.4
347.22107	4.3
349.23627	20.3
350.24005	1.3
365.23178	56.7
366.23627	1.5
367.24780	9.6
439.26788	1.9
461.28922	2.1
479.29916	1.4
501.32117	2.4
519.33093	58.0
520.33301	2.4
535.32605	2.4
541.35327	7.5
545.35651	1.7
559.36218	59.8
560.36359	4.9
577.36975	1.3
621.41443	3.7
639.42480	41.5
640.42987	3.9
657.43463	17.6
723.47742	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	3.3
65.03935	5.3
66.04720	0.9
67.05493	100.0
68.05823	1.4
69.03420	13.6
69.07057	66.1
70.77540	1.8
70.77911	2.1
71.01336	1.4
71.04985	8.6
73.02898	3.0
79.05479	68.7
81.02970	1.5
81.03409	17.3
81.07041	85.6
82.07365	1.0
83.04966	17.1
83.08604	19.4
85.02890	8.3
85.06531	5.4
87.04440	1.1
91.03928	1.6
91.05464	72.8
92.59642	0.9
93.07026	64.7
95.04952	18.6
95.08587	55.3
97.02869	8.7
97.06510	26.7
97.10145	13.6
99.04417	3.3
99.08044	2.2
101.02334	1.2
103.05420	1.9
104.06206	1.1
105.04476	1.7
105.07011	56.5
107.04927	13.3
107.08575	42.5
108.08905	1.0
109.02858	3.6
109.06495	10.9
109.10137	33.1
111.04414	2.5
111.08054	8.6
113.09599	1.8
115.05431	3.1
116.06205	2.2
117.06207	1.3
117.07004	19.2
119.04921	1.6
119.08559	44.4
121.06485	6.9
121.09302	1.5
121.10117	21.4
123.04421	1.3
123.08041	9.5
123.11694	4.8
123.12463	0.9
125.05956	1.0
125.09593	13.1
127.03874	3.3
128.06187	2.7
129.05455	3.6
129.06995	9.3
130.07790	2.0
131.08533	28.4
133.06453	3.9
133.10112	34.1
135.08017	6.5
135.11671	20.7
137.09579	15.3
137.13226	1.2
139.11186	2.4
141.06969	3.5
142.07729	2.2
143.08545	9.3
144.09343	1.2
145.04897	1.2
145.06435	2.8
145.10101	23.0
147.07983	3.6
147.11670	16.7
149.09593	31.9
149.13226	10.6
151.11140	4.2
153.09097	1.9
155.08578	4.9
155.10580	2.2
157.08911	1.1
157.10094	7.4
159.07996	2.1
159.11670	18.0
160.11212	1.4
161.09583	4.6
161.13235	8.6
163.11131	12.7
165.09140	2.0
165.12724	3.0
167.10683	1.9
169.10048	5.3
171.08128	1.3
171.10197	2.2
171.11642	7.2
173.04393	3.1
173.09583	1.7
173.11693	9.0
173.13234	9.2
175.11121	3.5
175.14760	1.3
177.12691	7.0
179.10631	2.1
179.14285	8.2
181.10085	1.7
181.12172	1.2
183.11671	5.0
185.09596	1.1
185.13213	3.3
187.11136	3.2
187.14737	2.4
189.11165	9.6
189.12714	1.6
191.10814	1.1
191.14236	1.9
193.12177	2.2
195.11771	1.3
195.13756	5.8
197.13182	3.6
199.13136	1.2
201.12709	1.3
201.16365	1.5
205.12086	1.8
207.13722	1.4
209.13322	1.5
211.13057	1.5
211.14839	1.4
215.14291	1.7
215.17943	1.6
223.13190	2.7
225.16226	1.3
227.12738	10.1
229.14278	14.0
229.19438	2.7
233.15259	2.2
239.17934	3.9
241.14299	1.3
243.15851	2.0
245.13568	2.4
247.20547	5.7
249.14992	1.2
251.16409	1.1
253.14272	2.2
253.17990	3.5
255.15721	8.0
257.18945	10.5
263.20029	1.6
267.15833	3.1
269.17410	13.8
273.18454	4.6
275.20013	48.7
291.19427	9.3
293.21045	4.1
297.16766	1.0
303.23041	1.2
309.93683	1.1
313.21835	2.0
321.24368	1.5
331.22610	3.4
347.22290	1.7
349.23676	42.4
350.23901	1.7
365.23199	5.3
367.24734	3.1
383.24332	2.2
409.25464	4.8
423.27435	9.9
431.27512	2.1
439.26639	1.6
447.31021	2.5
462.82397	1.1
503.33521	5.8
504.36023	1.0
511.33664	2.2
517.34869	2.1
527.37103	3.5
529.35132	7.5
543.36749	19.0
547.36115	2.0
559.36224	1.8
561.37518	2.3
623.42877	10.8
641.43219	3.4
643.27722	1.0
872.52844	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02890	2.1
65.03931	4.6
67.05495	100.0
69.03412	12.9
69.07059	74.0
69.54446	9.8
69.54856	2.2
71.01352	2.0
71.04974	6.4
73.02894	3.9
73.06551	1.9
79.05482	76.1
81.03407	19.2
81.07047	74.3
82.07362	2.6
83.04979	10.3
83.08608	33.6
85.02884	7.2
85.06519	5.0
85.92486	1.7
87.04451	2.0
91.05466	64.5
93.07028	68.0
95.04964	19.3
95.08595	49.2
97.02864	6.3
97.06517	24.8
97.10155	50.9
99.04416	3.0
99.08075	3.3
101.05987	1.7
103.05444	2.8
105.07015	50.5
107.04944	17.2
107.08583	70.1
108.08875	1.6
109.02859	4.1
109.06500	8.5
109.10141	39.9
111.04443	2.6
111.08082	9.3
113.09605	2.2
115.05424	3.2
117.06993	19.7
119.04966	2.0
119.08562	39.0
121.06519	7.2
121.10121	19.2
123.04392	1.8
123.08032	9.1
123.11672	5.6
125.09612	45.7
127.03879	7.5
128.06169	2.0
129.05458	3.2
129.06976	9.3
129.99753	1.5
130.07817	1.6
131.08554	22.8
133.06450	3.8
133.10097	32.3
135.08032	11.5
135.11694	10.6
137.09613	17.5
139.11121	2.1
141.06923	3.3
143.08582	8.6
143.10652	1.8
145.06435	2.9
145.10103	26.2
147.08034	4.3
147.11670	18.2
149.09601	27.1
149.13239	6.2
151.07532	1.8
151.11139	4.4
153.09071	5.1
154.14529	1.5
155.08548	3.1
155.10672	1.7
157.10120	7.5
159.08076	2.1
159.11679	19.7
161.09584	4.8
161.13240	9.4
163.11154	13.0
165.06953	1.6
165.09155	2.6
169.10085	5.1
171.10138	4.6
171.11670	8.3
173.09596	2.6
173.11684	11.2
173.13258	9.7
175.11133	4.5
175.14786	1.8
177.12703	4.8
179.01802	1.6
179.10635	2.3
179.14284	5.5
181.10155	2.5
181.12177	2.4
183.11693	6.9
184.07353	4.6
185.13260	4.2
187.11177	4.5
187.14819	1.9
189.11205	35.8
189.12810	1.7
193.12184	2.5
195.13834	2.0
197.13268	4.1
199.14850	1.9
211.13191	3.5
219.13710	1.9
223.13307	3.3
227.12743	70.8
229.14331	14.0
229.19444	5.1
233.15511	2.7
239.17970	2.7
243.15913	2.9
245.13753	7.5
253.14258	3.2
253.18050	2.1
255.15582	1.9
257.18878	11.8
269.17502	4.4
271.15097	2.1
273.18430	6.5
275.20020	63.0
276.20474	1.8
279.15945	1.9
285.16882	2.0
291.19550	10.2
293.21048	6.4
298.72974	1.5
301.21692	2.3
331.22485	4.0
349.23685	59.8
350.23755	3.3
357.37479	1.4
365.23059	7.6
381.22610	1.9
389.18033	4.1
399.23541	7.8
423.27460	1.7
440.54700	1.7
445.29260	2.5
503.33582	24.6
519.33026	9.3
525.35345	2.2
527.37036	5.3
529.34949	4.7
543.36530	4.6
559.36047	3.1
605.41473	2.4
623.42987	30.9
639.42291	4.2
641.43903	7.4
657.42725	2.5
663.36761	3.2
873.46497	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	870.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	1.7
65.03931	3.1
65.24269	1.1
66.04699	1.4
67.05495	66.3
67.81114	1.2
69.03420	12.9
69.07062	40.2
70.25023	1.0
71.01339	2.2
71.04989	6.6
71.25740	1.0
79.05484	43.9
80.06303	1.1
81.03407	19.6
81.07048	62.5
83.04969	11.7
83.08619	12.8
85.02904	3.5
85.06552	5.8
85.07169	0.9
89.22010	1.3
91.05469	50.9
93.07032	43.4
95.04953	20.8
95.08595	34.7
97.02869	9.7
97.06520	13.4
97.10154	13.3
99.04456	3.2
99.08037	1.4
103.05469	2.5
105.04481	1.3
105.07017	39.7
107.04282	1.3
107.04948	16.1
107.08585	29.4
109.02875	2.9
109.06519	8.5
109.10146	24.2
111.04476	1.7
111.08064	5.4
113.05991	1.1
115.05424	2.2
117.07008	13.8
119.04951	3.0
119.08570	25.8
121.06506	8.5
121.10128	11.6
123.08056	10.6
123.11699	5.3
125.09615	9.7
127.03906	2.2
128.06218	2.5
129.05431	2.6
129.06998	8.4
131.08545	19.4
133.06456	5.1
133.10114	27.3
134.07208	1.5
135.08028	9.1
135.11668	13.0
137.09619	8.7
139.11165	1.2
143.08539	7.0
145.06439	1.8
145.10072	15.0
147.08038	7.8
147.11662	7.9
149.09608	10.6
149.13219	4.3
151.11140	11.7
153.09074	1.7
155.08583	1.9
157.10057	5.5
159.08022	2.6
159.11671	7.0
161.09589	5.1
161.13225	2.5
163.11137	8.0
165.09032	1.6
165.12796	1.9
169.10133	1.8
169.12199	1.8
171.10165	1.2
171.11647	3.1
173.11754	2.2
173.13264	4.0
175.11195	5.9
177.12733	2.6
179.10677	1.9
179.14236	2.3
181.12213	2.2
185.13266	1.3
187.11095	1.9
189.11151	5.0
189.12755	2.4
193.12196	3.4
195.13850	1.7
197.13245	1.6
205.12184	2.5
211.13214	2.2
223.13269	19.1
227.12772	4.3
229.14290	3.6
243.15881	4.3
245.19012	4.1
247.20546	1.7
249.14815	3.1
253.14320	18.0
255.15781	6.9
257.18985	2.6
263.20102	2.5
267.15860	4.1
269.17459	1.4
273.18472	20.7
274.19003	1.8
275.20004	9.9
285.16922	5.3
291.19501	100.0
292.19809	3.0
297.16882	1.3
347.22168	3.5
349.23666	11.3
365.23172	28.8
366.23761	1.2
394.88556	1.1
424.63806	1.2
461.28790	1.5
519.33087	2.6
533.34448	4.3
539.33313	1.3
543.36957	1.5
545.34973	9.6
557.35010	3.1
558.35016	2.4
559.36060	4.1
575.35638	5.2
621.41833	1.6
639.42548	9.3
836.63721	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19254	1.8
65.03921	6.0
67.05495	100.0
69.03429	9.6
69.07059	67.6
71.04969	7.2
71.08609	2.8
71.62730	2.3
79.05479	61.8
81.03419	13.6
81.07044	96.7
83.04969	17.5
83.08622	13.2
85.02870	5.6
85.06527	9.0
91.05467	93.7
93.07027	73.9
93.07623	3.7
95.04938	22.3
95.08595	57.1
95.09222	3.0
97.02857	5.8
97.06516	22.7
97.10149	11.4
99.04446	2.7
99.08096	3.1
102.56934	2.0
103.05428	3.6
104.19225	2.9
105.04501	3.0
105.07011	74.7
107.04942	22.1
107.08576	55.3
109.02835	2.8
109.06509	14.6
109.10138	66.3
111.08077	9.6
113.06004	2.0
115.05442	2.2
117.06996	15.2
119.04898	2.0
119.08561	40.3
121.06483	15.0
121.10119	20.8
123.04383	2.6
123.08047	11.8
123.11653	10.2
125.09602	9.2
127.03897	4.1
128.06229	4.9
129.05452	4.5
129.06940	9.5
131.08557	25.3
133.06477	6.6
133.10107	81.4
135.08055	13.2
135.11649	14.3
137.09621	19.0
139.07509	2.3
141.06963	3.4
143.08536	12.1
145.06459	2.9
145.10089	23.3
147.08022	6.2
147.11681	15.9
149.09593	25.5
149.13229	4.0
151.11150	35.5
155.08531	3.6
157.08733	2.2
157.10141	6.2
159.08037	3.6
159.11679	14.2
161.09589	13.0
161.10783	2.1
161.13242	7.2
163.07660	2.0
163.11160	12.9
165.09079	2.8
169.10100	5.5
169.12183	6.4
171.10190	2.7
171.11668	7.9
173.09575	2.8
173.11740	5.2
173.13272	5.3
175.11172	5.6
177.12726	3.7
179.10626	3.1
179.14297	5.1
183.11588	3.6
185.13211	3.7
187.11154	3.7
187.14670	2.6
191.14108	2.4
195.13670	2.4
215.12784	4.7
223.13168	3.0
227.12665	3.2
227.17809	3.7
229.14355	4.7
245.19061	5.6
247.20517	2.6
253.14305	95.0
255.17447	3.3
257.18936	7.5
263.20078	4.6
273.18478	27.7
275.20023	34.4
276.20001	2.4
291.19501	25.6
293.21069	2.3
331.22672	2.2
338.21765	2.1
347.22128	8.7
348.22754	2.5
349.23648	39.7
350.24023	2.5
357.24133	2.0
365.23233	32.6
383.24469	2.8
407.24194	3.6
425.25195	2.2
429.40845	2.1
431.27951	4.1
517.34387	2.3
519.33130	10.5
527.33539	4.7
545.34631	20.5
559.35382	2.2
621.41168	6.3
639.42389	28.9
835.16736	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	1.6
65.03930	1.6
67.05494	52.8
69.03420	10.6
69.07057	48.8
69.42040	0.5
70.07381	0.7
71.05015	4.6
71.63227	0.7
72.52018	0.5
73.02880	1.1
74.32194	0.5
77.03920	0.8
79.05479	33.5
80.05806	0.7
81.03407	9.6
81.07044	36.6
82.91720	0.6
83.04971	7.8
83.08604	11.8
85.02880	2.9
85.06519	2.7
87.04492	0.6
91.05466	32.5
93.07028	34.0
94.04160	1.1
95.01331	1.0
95.04957	14.4
95.08590	28.0
97.02876	9.5
97.05905	0.8
97.06514	13.8
97.10155	12.6
99.04415	1.0
99.08037	1.3
103.05453	1.2
105.03365	0.7
105.07016	27.5
107.04936	12.3
107.07853	1.0
107.08575	19.5
108.08896	0.7
109.02863	1.5
109.06503	4.8
109.10137	18.5
111.04415	1.6
111.08063	4.1
112.35076	0.5
113.06007	0.6
115.05444	1.9
116.06194	0.9
117.06208	0.9
117.06998	11.7
119.04932	1.7
119.08566	23.5
121.06485	5.7
121.10123	9.2
123.04401	1.4
123.08063	6.1
123.11660	1.8
125.09603	9.8
127.03910	1.6
128.06201	1.5
129.05453	1.5
129.06973	5.0
130.07784	0.8
131.08553	13.8
133.06456	3.3
133.10107	13.4
134.07246	0.8
135.08005	4.3
135.11667	5.5
137.09604	10.6
139.07484	0.7
139.11136	1.1
141.06956	1.6
143.08521	5.0
143.10771	0.7
145.06447	1.7
145.10097	11.7
147.08061	5.4
147.11656	6.9
149.09610	13.1
149.13226	4.0
151.07452	0.6
151.11147	1.8
153.09131	1.2
153.12721	0.8
155.08522	1.3
155.10588	0.8
156.09323	0.7
157.10094	4.4
159.08060	0.9
159.11665	7.2
161.09624	3.3
161.13217	3.1
163.11140	7.5
165.06938	0.7
165.09105	2.3
165.12758	1.4
167.14120	0.8
169.10077	1.9
169.12271	0.7
171.10124	1.6
171.11639	3.0
173.09534	0.9
173.11705	4.4
173.13246	3.2
175.11185	3.8
177.09135	0.9
177.12672	2.7
179.14276	3.0
183.11652	1.2
185.09593	0.8
185.13254	0.7
187.11107	1.3
189.11182	5.0
189.12752	1.4
191.14287	0.8
193.12221	2.0
195.11617	0.7
195.13770	2.1
197.13295	1.3
199.14796	0.8
201.12695	0.7
203.14450	0.7
205.12207	1.6
211.13225	1.3
215.14281	1.1
223.13246	17.9
227.12732	5.8
227.17924	1.1
229.14297	5.4
229.19458	0.9
239.17900	1.5
243.15863	0.7
245.18947	1.6
247.20488	1.3
249.14874	3.0
253.17882	0.7
255.17551	0.9
257.18961	6.6
263.19989	1.0
267.15875	0.9
273.18436	15.0
274.18976	0.8
275.20007	18.1
276.20374	0.6
279.15939	0.7
283.15482	0.8
289.17886	0.7
291.19498	100.0
292.19772	4.4
293.21094	2.1
309.20605	1.2
321.24249	1.1
331.22684	1.5
347.22137	1.7
349.23669	26.4
350.23831	1.3
363.50961	0.6
365.23166	32.6
366.23706	1.3
383.24451	1.1
461.28934	3.9
519.25354	0.7
519.33179	11.8
519.40723	0.5
520.33331	1.0
533.34210	1.1
541.35413	0.7
543.36597	5.3
559.35962	2.0
575.35632	0.7
611.43195	1.1
621.40973	2.0
639.42401	27.6
640.42896	2.9
655.41583	1.5
657.43292	1.6
673.42456	0.9
708.44830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	14.9
65.03919	3.2
66.04719	0.6
67.05493	44.6
69.03417	10.9
69.07055	12.4
71.01341	2.7
71.04977	6.6
73.02906	9.5
77.03864	0.8
79.05479	42.8
80.06271	0.8
81.03403	85.1
81.07043	41.9
81.07419	0.5
82.03746	1.0
82.04174	4.0
83.04472	1.6
83.04966	27.0
83.08602	31.4
84.02113	1.5
84.05758	0.6
85.02888	41.7
85.06526	3.3
87.04457	1.6
91.03934	9.8
91.05463	45.3
93.07030	27.4
93.07617	1.5
94.04204	1.1
94.07799	1.0
95.04953	43.8
95.08588	15.9
96.05753	1.3
97.02872	16.8
97.03489	0.9
97.06520	10.8
97.10152	17.2
98.07301	4.6
99.04433	2.5
99.08074	2.5
101.06020	0.9
105.04492	0.8
105.07011	29.5
105.33552	0.6
107.04936	14.2
107.05611	1.2
107.08579	17.4
109.02851	3.0
109.06492	7.9
109.10135	14.9
110.07288	0.8
111.04433	5.0
111.08054	17.6
113.06007	3.3
115.03920	1.2
115.05421	1.5
116.04688	12.3
116.29965	0.7
117.05481	1.9
117.06986	4.9
117.79590	0.8
119.04910	1.4
119.08559	25.4
121.06518	3.6
121.10128	13.6
123.04450	1.0
123.08040	7.2
123.11692	2.4
125.05962	1.6
125.09609	17.6
126.10407	1.5
127.03889	4.7
127.07552	0.7
127.11180	1.4
128.06175	1.0
128.39410	0.7
129.05467	26.1
129.06952	13.8
130.07762	1.0
131.04951	0.7
131.08546	17.7
133.06488	4.0
133.10107	17.4
135.08051	3.6
135.11659	5.5
136.08862	1.2
137.05977	1.2
137.09625	3.9
139.07516	1.2
142.07755	3.5
143.07016	7.1
143.08594	1.0
143.10660	1.7
145.04938	4.9
145.06453	1.9
145.10114	7.0
147.08022	5.9
147.11655	19.7
149.05986	0.9
149.09598	8.3
153.09056	2.0
153.12729	4.3
155.08514	0.9
155.10600	0.8
157.07300	0.7
157.08583	11.9
157.10095	18.8
158.05754	1.4
159.08083	0.6
161.09561	0.9
163.06020	4.5
163.07307	1.0
163.11157	12.6
164.11888	0.9
165.12706	5.5
167.07030	1.7
171.06499	2.7
171.10129	4.3
172.10815	0.7
173.04399	1.3
173.09535	3.2
173.11751	4.6
175.11154	22.6
181.04985	1.0
181.12189	5.3
183.13834	0.7
185.08110	1.4
185.11717	1.6
187.10997	0.7
189.11186	10.4
189.12874	0.8
191.07071	0.7
191.10643	4.1
192.11427	0.6
193.12213	75.7
194.12544	1.3
199.05959	0.6
199.09564	1.9
199.13271	20.3
200.14000	2.5
201.12787	0.8
201.14708	1.0
209.11684	11.6
210.12477	1.4
211.13255	100.0
212.13722	1.6
217.14470	0.8
219.13782	0.8
227.12740	17.1
229.14322	5.3
231.13670	0.7
247.13202	5.4
249.14787	2.4
255.15900	3.1
265.14261	1.8
267.15866	35.9
269.17526	0.7
283.15369	21.2
283.18500	0.8
284.16150	1.4
285.16916	71.1
286.17175	1.5
297.19992	0.9
301.16415	63.8
302.16568	0.8
321.16855	2.1
335.22067	0.9
339.17862	2.9
339.21622	0.8
367.21747	0.7
383.21948	1.6
385.23798	1.0
409.25748	7.9
410.26297	0.8
421.25650	3.1
427.26840	11.2
428.27353	1.0
429.20572	1.0
436.96542	0.6
439.26834	32.9
440.27005	1.2
457.25815	1.7
458.26447	1.3
459.27478	5.8
475.26450	5.7
476.27811	3.5
477.28543	6.2
493.27899	29.3
494.28650	7.8
495.29413	0.9
511.28943	82.0
512.29059	2.3
655.32477	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	4.8
65.03889	0.9
67.05494	10.1
69.03418	3.5
69.07056	3.2
71.01327	0.6
71.04990	2.1
73.02901	2.4
79.05481	11.2
81.03404	28.7
81.07042	15.8
81.07743	0.4
83.04970	7.0
83.08607	13.5
85.02891	15.6
85.06522	1.5
87.04427	0.6
91.03945	4.1
91.05465	19.2
93.07026	12.6
95.01290	0.3
95.04955	12.8
95.08583	5.3
97.02288	0.3
97.02879	6.2
97.06500	3.1
97.10155	1.6
98.20708	0.5
99.00799	8.5
99.04424	0.7
99.08031	1.1
102.56509	0.3
103.05421	1.0
105.07013	14.8
107.04934	5.9
107.08578	6.4
109.02859	5.3
109.05882	0.3
109.06501	3.4
109.10134	3.2
111.04417	1.8
111.08060	7.3
113.05991	1.5
115.03897	1.8
115.05402	0.7
117.06986	2.3
119.04900	0.8
119.08559	13.5
121.02849	0.4
121.06501	4.2
121.10113	4.4
123.04447	1.5
123.08058	1.9
123.11689	2.3
125.05961	0.4
125.09577	1.1
127.03900	3.1
127.07513	0.5
128.06143	0.8
129.06976	5.0
131.04895	0.3
131.08549	5.2
133.06461	2.2
133.10109	22.7
134.10411	0.5
135.07985	0.8
135.11644	0.9
137.05936	2.0
137.09578	1.3
139.07520	1.7
141.05455	0.3
142.07719	0.9
143.08528	2.4
145.04912	1.6
145.06401	1.0
145.10089	1.2
147.04327	0.5
147.08029	2.4
147.11659	7.4
149.09592	2.8
151.03838	0.4
151.07523	0.4
151.11150	6.3
157.10095	6.7
161.05922	0.4
161.09601	11.2
163.05959	1.7
163.07391	0.6
163.11124	1.2
165.09128	0.8
165.12726	1.5
167.07022	2.2
171.08008	2.2
173.05925	0.6
173.13193	0.4
175.11150	7.2
179.10626	5.8
181.04878	1.1
189.09073	5.4
191.06938	0.4
193.12215	22.3
194.12607	0.6
197.11679	1.3
207.10138	2.1
211.13260	27.8
212.13614	0.7
217.08397	0.3
219.13739	0.7
225.09003	0.5
225.11163	5.1
227.12811	0.6
234.08780	0.4
241.11995	0.4
243.12241	1.1
249.14888	0.3
267.15863	13.8
268.16104	0.5
281.13788	2.8
283.15323	0.6
285.16922	26.9
286.17218	0.8
287.12695	0.5
299.14841	39.2
300.15192	1.2
333.13168	0.4
400.18979	0.3
417.14920	0.3
429.22031	0.3
445.25992	1.4
459.27246	0.7
463.26825	1.3
473.25195	3.5
491.26321	17.2
492.26666	0.8
509.27383	100.0
510.27750	5.6
533.13086	0.3
599.28534	0.8
617.29291	1.3
635.30206	1.2
653.31311	1.3
868.46906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10382	0.4
61.02912	6.4
61.65775	0.4
67.05493	14.8
69.03416	1.0
69.07057	6.5
69.27422	1.1
69.27831	4.8
71.04993	1.0
71.08618	10.8
73.02901	1.8
79.05054	0.6
79.05480	8.1
79.62177	0.5
79.78184	0.5
81.03398	1.5
81.07043	23.1
83.04969	1.7
83.08602	8.5
85.02883	7.0
85.06535	1.4
85.10164	6.5
89.05958	0.6
91.03942	5.2
91.05465	5.4
93.07027	11.5
95.04962	1.5
95.08593	11.0
96.62032	0.7
97.02871	3.8
97.06514	2.1
97.10149	2.7
105.07019	1.7
107.08577	7.4
109.02848	0.7
109.06461	0.7
109.10150	4.1
111.08078	1.0
116.62490	0.5
117.06994	2.3
121.06484	0.9
121.10095	3.2
123.11664	2.8
127.03896	2.1
131.08553	2.0
133.10074	4.9
135.08020	0.7
135.11676	2.8
137.13234	0.6
142.34818	0.5
145.04938	2.7
146.46216	0.5
147.11673	0.6
149.13245	5.0
150.95462	0.6
151.11185	0.9
159.11687	2.8
159.74805	0.5
163.05981	3.1
177.12723	1.3
194.29204	0.5
195.13771	5.1
213.14813	0.7
222.14771	0.6
239.23663	1.3
251.16310	0.6
269.17435	45.3
270.17874	0.8
313.27307	45.1
314.27667	1.1
413.21725	0.6
507.40372	100.0
508.40549	3.3
518.69116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.495
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.2
62.76224	0.4
65.03929	0.5
67.05495	4.6
69.03418	2.7
69.07065	3.0
71.04984	0.9
71.62939	0.9
73.02912	2.6
79.05489	3.9
81.03400	2.0
81.07042	5.7
83.04962	0.5
83.08597	0.7
85.02898	3.5
85.27433	0.5
86.09706	1.7
91.03937	2.2
91.05459	3.3
93.07041	4.1
95.04967	1.4
95.08606	2.5
97.02873	3.1
97.06515	0.6
97.10157	1.0
101.02375	1.3
102.56950	0.5
105.07000	3.0
106.68746	0.4
107.04979	0.5
107.08555	2.6
109.02856	0.7
109.06506	0.6
109.10157	0.9
113.97525	0.4
117.07003	0.8
119.08589	1.7
121.10139	1.1
123.08052	0.5
124.99992	0.9
127.03919	1.0
131.08580	1.2
133.10158	1.5
135.11696	1.3
136.06209	1.5
137.09587	0.6
145.10127	0.8
159.11682	0.7
181.29021	0.5
184.07333	6.6
185.07741	0.5
188.73392	0.5
243.08423	3.0
267.56464	0.5
327.74542	0.5
333.20340	3.7
333.23804	0.6
336.25769	0.4
389.23203	0.7
439.19385	2.5
453.20947	1.7
469.20184	0.8
551.28180	13.0
699.44421	0.5
861.49512	100.0
862.49664	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	866.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	8.1
67.05494	27.8
68.05827	0.6
69.03398	1.6
69.07060	12.2
69.27733	2.7
69.28157	4.3
71.04948	2.5
71.08621	15.6
71.50314	0.6
73.02867	1.9
79.05484	12.8
81.03429	1.3
81.07041	39.6
81.92798	0.6
83.04971	3.2
83.08151	0.7
83.08601	11.6
85.02889	7.4
85.06484	2.7
85.10162	8.9
89.06017	1.1
91.03944	6.0
91.05464	7.7
93.07025	26.5
95.04922	2.0
95.08588	20.0
97.02869	4.4
97.06514	6.5
97.10153	3.6
99.04427	1.0
99.08044	1.7
99.11670	0.6
105.06997	3.0
107.08579	12.9
109.02820	0.7
109.06532	1.1
109.10141	7.4
110.57660	0.6
111.08059	3.2
111.08669	0.6
111.11674	1.6
113.09560	0.9
117.06961	2.7
119.08549	1.7
121.06400	0.7
121.10130	10.5
123.11706	3.6
125.09595	0.9
127.03867	1.8
131.08537	3.2
133.10146	3.7
135.08022	1.3
135.11655	4.7
139.07358	0.7
139.11180	1.2
139.40715	0.7
145.04916	1.8
145.10010	0.6
147.11617	1.1
149.13222	19.7
159.11694	8.1
163.05959	2.1
167.14340	0.8
177.12732	4.0
186.72563	0.6
187.36665	0.6
195.12138	0.8
195.13756	5.4
213.14726	1.0
239.23648	1.9
257.24664	1.0
269.17438	87.1
270.17682	1.4
313.27313	50.1
314.27582	1.3
342.84790	0.6
390.65955	0.8
507.40399	100.0
508.40771	3.5
729.11273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5398
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	2.7
65.03932	4.7
67.05494	82.3
68.05839	1.4
68.06527	0.8
69.03419	10.8
69.07056	51.6
70.81021	2.0
71.04980	5.9
71.08625	1.5
73.02900	2.0
73.06550	0.9
77.03928	1.0
79.05481	69.2
81.02969	1.5
81.03403	16.5
81.07045	100.0
82.07344	1.3
83.04972	17.4
83.08604	21.8
85.02893	6.6
85.06543	5.2
86.09694	2.6
91.05463	67.2
93.07028	78.7
95.04955	15.2
95.08590	43.8
97.02883	4.7
97.06520	24.5
97.10153	17.5
99.04436	2.6
99.08076	3.4
103.05464	2.3
105.04507	1.0
105.07014	52.4
107.04271	1.3
107.04942	14.2
107.08577	55.5
109.02853	3.5
109.06493	10.3
109.10143	19.6
111.04436	2.1
111.08063	8.5
113.05954	1.1
113.09625	1.7
115.05419	2.3
117.06996	25.9
119.08561	42.6
121.06499	6.5
121.10121	24.3
123.08048	7.1
123.11699	7.3
125.00007	1.3
125.05914	0.9
125.09602	14.3
127.03876	4.1
127.07564	1.1
128.06206	3.2
129.05450	2.3
129.06973	8.9
130.07762	1.7
131.08546	29.7
133.06456	3.2
133.10110	35.8
135.08029	8.3
135.11670	21.9
137.09590	4.9
137.13292	1.3
139.11194	1.5
141.06937	4.8
142.07736	1.9
143.08546	7.7
145.06503	1.3
145.09019	1.7
145.10106	27.7
147.08037	3.7
147.11662	16.4
148.03395	1.0
149.09595	21.7
149.13237	17.0
151.11169	3.7
153.09088	1.7
153.12785	1.0
155.08568	5.9
157.10101	10.5
159.07996	1.4
159.10428	1.4
159.11670	21.1
161.05867	1.0
161.09570	3.1
161.13232	7.7
163.11157	14.1
165.09128	1.6
165.12730	2.6
165.79916	1.0
167.08542	1.5
169.10094	7.0
169.12207	1.0
171.10236	1.9
171.11623	8.8
173.04442	4.3
173.09688	1.9
173.11865	1.7
173.13217	9.2
175.11177	2.9
177.12744	6.6
179.08569	0.9
179.14253	5.5
181.10100	2.4
181.12209	2.4
183.11609	4.8
184.07288	8.1
184.12384	0.9
185.09534	1.1
185.13225	3.1
187.11143	2.6
187.14799	3.1
189.11182	8.5
189.12720	1.6
191.14252	1.4
193.12157	1.4
195.11842	1.7
195.13766	7.6
197.13232	6.3
199.14725	2.1
201.12692	1.8
201.16281	1.2
205.12245	2.0
207.11841	1.0
207.13817	1.8
209.13271	1.8
211.14874	1.9
213.14731	2.1
213.16458	2.0
215.14355	1.8
215.18001	1.6
217.15776	0.9
227.12729	21.4
229.14365	2.7
229.19440	4.6
232.35812	0.9
233.15396	1.9
233.18880	0.9
233.47842	0.9
235.16827	1.5
237.16502	0.9
239.17885	5.3
245.13701	2.9
245.18896	1.4
247.20552	4.2
251.16235	1.2
251.97794	0.9
253.14240	1.5
253.17819	1.4
255.15817	14.7
257.18954	15.1
259.20581	1.7
267.15802	4.6
269.17426	52.4
270.17752	1.1
271.20602	0.9
273.18427	2.4
275.20010	56.8
276.20374	2.2
285.14902	1.2
291.19373	2.6
293.17526	1.0
293.21021	4.7
299.23264	0.9
309.20615	0.9
313.21393	1.4
321.24197	1.9
331.22644	4.8
339.18063	1.2
339.22986	0.9
349.23676	58.9
350.24005	2.4
351.25339	1.3
367.24719	7.2
409.25900	1.3
413.21655	2.1
423.27304	1.6
423.32196	1.2
431.28067	2.3
433.30444	2.3
435.27045	1.2
439.26935	3.2
445.29376	3.0
447.31070	1.9
449.28940	20.2
450.29016	1.0
451.31870	2.2
463.30499	26.7
469.32938	1.6
503.33521	1.7
515.37317	1.8
519.32910	2.4
525.35767	5.9
527.36499	1.8
529.35419	11.8
530.35120	1.0
543.36731	64.1
544.36615	2.5
547.35748	1.9
561.37885	5.7
569.29645	1.0
607.34839	1.9
623.42798	9.7
641.44220	6.8
687.40778	2.4
856.46759	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	3.8
65.03928	5.3
67.05492	80.6
69.03407	10.1
69.07054	47.1
69.85268	6.6
71.01332	1.0
71.04974	7.1
71.08628	1.4
73.02899	2.1
79.05478	68.3
81.02962	2.0
81.03401	18.7
81.07040	100.0
83.04965	16.1
83.08602	22.5
85.02879	7.2
85.06516	6.2
86.09673	3.0
91.04880	2.5
91.05462	57.8
93.07024	78.4
95.04946	17.7
95.08585	42.7
97.02847	6.2
97.06513	23.0
97.10143	13.6
97.89526	1.1
99.04431	2.8
99.08080	3.6
103.05452	1.9
105.07012	53.6
107.04935	14.8
107.08569	49.9
109.02840	2.6
109.06496	10.2
109.10136	18.2
111.04432	2.2
111.08054	6.5
113.09624	2.1
115.05415	2.3
116.06213	1.1
117.06994	23.8
119.08559	38.5
121.06483	5.5
121.10126	24.3
122.71635	1.0
123.08032	6.2
123.11662	5.6
125.00002	2.2
125.09602	12.9
127.03886	3.5
128.06201	2.1
129.05458	3.1
129.06982	8.2
130.07748	1.4
131.07562	1.9
131.08542	31.5
133.06470	3.2
133.10109	32.0
135.08026	8.8
135.11667	23.3
137.05974	1.4
137.09592	5.2
139.07544	1.0
139.11116	1.3
141.06952	4.6
142.07784	1.5
143.08519	10.0
145.04927	1.3
145.06444	1.8
145.10092	23.6
147.08015	2.4
147.11649	18.0
149.09595	19.0
149.13235	12.4
151.07620	1.0
151.11140	3.3
153.06978	1.3
153.09152	1.6
155.08472	4.8
156.09303	1.0
157.10098	8.4
159.07977	1.9
159.11658	22.1
161.09566	3.6
161.13187	5.6
163.11142	13.5
163.14851	1.3
165.09058	1.5
165.12747	3.2
167.10648	1.2
169.10060	7.6
171.11661	7.2
173.04431	3.4
173.09573	2.2
173.11816	1.7
173.13220	8.9
175.11130	2.0
175.14685	1.8
177.12694	5.8
179.08548	1.2
179.14247	5.1
181.10098	2.1
181.12183	1.5
183.11606	5.1
184.07324	8.0
185.09650	1.4
185.13208	4.6
187.11151	1.7
187.14786	2.2
189.11186	6.4
189.12657	2.1
193.12300	1.3
195.11874	2.3
195.13797	6.7
197.13268	6.0
199.14803	2.5
199.46265	1.1
201.16354	1.1
203.14336	1.5
211.14784	2.2
213.12674	1.4
213.14532	1.3
213.16499	1.2
215.14468	1.5
217.15894	1.7
221.13016	1.4
227.12726	15.8
229.14308	3.9
229.19434	3.2
235.16808	1.7
239.18050	4.9
242.36839	1.1
245.13783	1.9
247.20549	3.3
253.14305	1.2
253.17935	2.1
255.15848	15.1
257.18970	15.9
259.20499	1.6
267.15811	5.6
269.17416	45.5
270.17691	1.2
273.18579	1.5
275.20010	50.9
293.21014	4.3
301.21527	1.2
303.15738	1.3
321.24158	1.8
331.18701	1.3
331.22418	5.7
339.18033	1.3
349.23666	47.4
350.24023	1.9
353.24835	1.3
365.23245	1.1
367.24710	6.3
377.19540	1.1
409.26010	1.0
413.21780	2.0
423.27283	2.0
431.28055	1.5
433.31088	1.2
435.27365	2.4
437.56592	1.2
439.26981	1.6
445.29517	3.5
447.30957	1.4
449.28915	25.7
450.29532	1.5
451.32303	2.2
463.30460	24.3
464.31027	1.3
465.27682	1.1
469.32996	1.8
503.33664	2.9
511.34363	1.7
515.37097	1.7
519.33447	2.0
525.35504	7.1
529.35242	12.8
543.36743	48.9
544.36963	2.9
547.35773	3.1
561.37744	9.2
607.34613	2.9
623.42841	11.0
641.44159	6.4
687.40546	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	856.54
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	4.4
63.21125	1.5
65.03925	4.1
67.05492	89.7
69.03423	13.0
69.07059	44.0
69.07339	0.9
71.01335	1.5
71.04980	8.8
71.62720	1.9
71.63115	2.3
79.05481	88.3
81.03414	15.2
81.07044	87.5
83.04974	15.1
83.08601	35.8
85.02905	10.0
85.06538	6.8
86.09698	3.7
87.04440	2.8
91.05466	57.6
93.07027	67.0
95.04956	14.7
95.08591	44.3
97.02878	5.7
97.06517	20.4
97.09525	3.7
97.10155	64.4
99.04462	2.2
99.08075	3.6
102.03249	1.5
103.05451	2.3
105.06295	2.2
105.07013	63.1
107.04933	15.1
107.08576	100.0
109.02869	3.3
109.06501	10.1
109.07132	1.7
109.10139	27.5
111.08067	7.1
113.09617	2.8
115.05403	3.0
117.07000	23.4
119.08555	38.0
121.06486	5.7
121.10119	26.5
121.21701	1.9
123.08057	6.8
123.11665	7.8
125.09615	54.6
125.10541	2.7
127.03905	5.8
129.05470	2.2
129.06996	8.6
130.07762	2.2
131.08543	32.0
131.09505	2.5
133.10104	39.7
135.08029	14.6
135.11662	18.1
137.09630	6.6
141.07018	3.9
143.08562	11.4
143.10640	2.5
145.10097	35.6
147.08032	4.0
147.11684	20.3
149.09592	20.1
149.13226	10.7
151.11198	2.9
153.09129	5.1
153.12732	2.1
155.08549	4.6
157.10071	11.3
159.11671	19.7
161.09605	2.6
161.13254	6.7
163.06075	1.7
163.11185	11.5
165.12808	2.2
169.10097	5.4
171.10101	5.4
171.11673	10.2
173.04498	2.2
173.11850	2.7
173.13228	11.1
175.11183	4.7
177.12753	5.7
179.14310	3.9
181.12260	2.6
183.11702	6.9
184.07378	7.1
185.13255	4.7
187.11226	2.0
187.13332	2.0
187.14847	3.7
189.11176	33.0
195.11757	1.8
195.13765	2.0
197.13252	5.1
199.14816	2.6
205.12199	3.0
211.14941	3.1
213.16432	3.2
215.17853	2.2
223.14763	2.2
225.16306	1.6
227.12733	92.0
229.14304	4.0
229.19484	6.2
236.90952	1.7
239.17961	5.2
245.13757	8.3
247.20459	2.6
253.14120	1.8
253.17981	1.9
255.15936	6.5
257.18903	17.6
259.20663	1.8
261.22345	1.9
264.24649	1.7
269.17429	25.5
273.18567	2.2
275.20013	85.0
276.20361	1.9
293.21112	8.0
331.22540	8.3
349.23691	82.5
350.23877	2.9
367.24896	3.2
381.28058	1.7
389.17920	2.7
397.22137	4.8
421.25668	2.1
422.70145	1.8
425.25482	3.0
439.26810	10.6
449.28928	2.4
469.33057	2.3
501.31653	2.3
503.33536	6.2
511.34286	3.1
519.33154	21.4
525.35596	7.3
529.35138	19.9
543.36786	67.9
544.36572	2.6
547.36029	2.4
549.39563	2.3
561.37518	3.4
583.31079	2.6
583.40027	2.0
605.41827	3.3
623.42889	57.3
624.43030	2.2
641.44055	16.8
659.44812	2.0
687.40778	2.9
845.32446	1.9
857.45703	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	856.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	3.5
65.03931	3.3
67.05496	92.8
68.05829	1.4
69.03423	3.8
69.07058	17.7
69.32678	6.8
69.33102	2.9
71.01315	1.2
71.04980	3.8
73.02901	3.0
79.05483	40.0
81.03409	8.9
81.07046	63.0
83.04973	6.2
83.08604	17.5
83.09103	1.3
85.02900	12.3
85.06525	3.7
87.04452	3.7
91.03934	1.5
91.05472	25.8
93.07034	44.9
95.04952	6.7
95.08598	43.7
97.02888	4.5
97.06519	4.7
97.10161	16.1
98.20953	4.0
99.04452	1.4
99.08059	1.0
103.03928	1.5
105.04507	1.2
105.07015	15.0
106.78353	0.9
107.04953	2.7
107.07854	1.5
107.08577	30.2
109.06520	3.1
109.10143	60.4
111.04401	1.4
111.08083	3.1
117.06996	6.6
119.08578	16.2
121.06496	2.1
121.10133	20.4
123.08078	4.0
123.11714	6.5
125.09612	14.2
129.05467	2.3
129.06982	2.1
131.08560	11.3
133.10120	10.2
135.08025	2.0
135.11681	14.0
137.09583	3.8
143.06993	1.2
143.10680	2.8
145.10117	8.9
147.08009	1.6
147.11639	6.4
149.09579	1.4
149.13240	6.2
153.12747	2.9
155.10666	2.0
157.10101	2.1
159.11655	5.1
160.78601	0.9
161.09680	1.2
161.13266	4.3
163.11147	8.0
163.14838	2.8
171.11613	1.3
173.11728	17.5
173.13254	3.8
175.14801	1.9
177.16374	1.3
181.12227	3.0
185.13251	1.3
187.14832	3.0
189.11214	1.7
191.10742	1.8
193.12274	2.2
199.13297	7.3
202.83112	0.9
209.11613	5.6
211.13251	1.8
217.14345	1.6
227.12708	7.4
229.14322	50.3
231.69711	0.9
233.22641	1.5
243.21071	5.9
245.13928	1.1
257.13800	2.6
261.22101	18.5
267.15857	4.2
277.21631	1.1
283.15399	3.0
301.16397	16.9
317.24817	2.8
332.90155	1.0
335.25754	100.0
336.25909	1.2
363.25189	1.2
399.23682	12.1
477.35873	10.7
489.35681	24.0
527.37531	1.6
543.36823	2.1
561.37958	9.8
579.38867	4.8
659.45099	29.0
660.44971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86320	1.6
61.02900	2.2
65.03929	4.0
67.05495	99.8
69.03410	14.2
69.07057	54.3
70.29321	7.3
71.04990	9.1
71.08608	6.6
73.02889	2.6
76.14448	1.6
79.05479	81.9
81.03413	15.9
81.07044	100.0
82.07375	3.3
83.04966	14.6
83.08604	23.2
85.02908	9.0
85.06502	4.0
86.09677	6.0
87.04422	1.6
89.06023	2.9
91.03938	1.9
91.05466	82.8
92.05793	1.8
93.07030	84.6
94.07384	2.8
95.04948	21.6
95.08586	63.1
97.02855	9.6
97.06509	19.5
97.10149	19.9
99.04443	3.1
99.08068	6.9
103.05447	1.8
105.07011	78.4
106.07320	2.8
107.04951	10.9
107.08578	52.1
109.02866	3.3
109.06504	10.7
109.10140	32.8
110.10452	3.4
111.04455	3.0
111.08064	7.7
113.06010	1.6
113.09597	2.3
115.05436	3.1
117.07005	34.0
119.08565	60.9
121.06480	6.8
121.10126	28.1
123.08047	10.5
123.11659	6.3
124.99982	3.0
125.09593	15.0
127.03899	5.9
128.06158	5.0
129.05484	3.4
129.06985	20.4
130.07721	1.9
131.08543	44.2
133.06430	4.7
133.10107	48.5
134.10472	2.8
135.08055	9.4
135.11671	17.9
137.09605	6.9
139.11179	2.0
141.06961	7.0
142.07698	3.3
143.08536	19.5
145.04958	2.2
145.10095	34.2
147.08052	4.0
147.11659	26.1
149.09598	18.5
149.13231	12.5
151.11159	8.9
155.08531	9.9
156.09142	1.6
157.10094	18.9
159.11668	25.8
161.09554	3.7
161.13220	17.5
163.11203	10.3
167.08562	2.1
169.10080	11.2
171.10204	2.8
171.11615	16.7
173.04449	2.1
173.09584	3.8
173.11697	5.7
173.13220	11.7
174.80525	1.7
175.11090	3.8
175.14798	4.0
175.88818	1.6
177.12714	4.5
177.60051	1.8
179.14265	5.7
181.10156	4.3
183.11647	9.6
184.07349	17.1
185.13245	10.1
187.11166	3.7
187.14818	5.0
189.11191	12.4
189.12740	3.9
189.16263	2.0
190.62109	1.6
194.10959	1.6
195.11853	3.8
195.13818	6.2
197.13248	8.4
199.14728	5.7
201.12709	2.8
201.16435	3.4
207.11717	3.4
207.13652	2.3
209.13278	4.9
211.14876	5.5
213.16414	3.4
215.14473	1.9
215.17903	1.7
225.16324	3.3
227.12733	17.7
227.18083	2.0
228.13083	2.2
229.14259	3.9
229.19415	2.8
235.14677	2.0
239.17911	5.8
241.19499	6.8
245.19058	3.5
247.20502	3.5
253.14268	8.1
254.14610	3.4
255.15550	2.6
257.18988	10.3
259.20523	20.0
267.15616	2.0
269.17438	11.9
273.18439	7.7
275.19992	33.7
276.20325	2.2
277.21533	3.3
287.20016	1.7
291.19504	21.6
293.21082	6.5
309.22110	2.3
313.27161	1.8
315.23181	4.9
331.22534	3.8
333.24197	17.9
337.25165	2.0
347.22302	1.9
349.23660	25.0
350.23691	2.3
351.25162	6.6
365.23288	13.9
366.23727	2.3
367.24655	4.8
403.29852	2.3
421.30768	2.1
449.29672	1.9
463.30536	2.8
487.34119	3.4
495.34763	3.5
513.35791	22.9
525.35498	2.8
527.37451	13.2
533.39703	3.6
543.36920	10.1
547.36224	2.7
559.36249	12.0
607.43542	15.8
623.42755	3.9
625.44318	16.8
641.43799	17.2
856.50964	1.9
857.46045	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02892	1.4
65.03931	4.0
67.05496	68.3
68.99748	0.8
69.03121	0.7
69.03423	7.4
69.07059	26.3
70.80643	1.0
71.01312	1.0
71.04994	6.2
71.08632	1.3
73.02882	1.4
79.05482	50.4
81.03410	12.2
81.07044	80.3
82.07355	0.8
83.04970	14.8
83.08611	10.5
85.02870	4.2
85.06529	5.6
87.04454	1.6
89.06006	2.5
91.05468	68.3
93.07030	54.5
94.07389	1.2
94.28627	0.5
95.01323	0.8
95.04953	14.8
95.08591	32.0
97.02894	3.5
97.06512	13.9
97.10155	4.9
99.04438	2.6
99.08086	2.0
103.05467	1.1
105.07015	56.9
107.04948	14.0
107.08576	44.8
108.08961	0.8
109.02859	2.5
109.06496	10.3
109.10139	43.8
111.04415	2.5
111.08064	6.4
113.05961	2.0
113.09612	1.5
115.05423	2.2
116.06248	1.2
117.06207	1.0
117.07005	15.9
119.04932	1.3
119.08563	24.9
120.05670	0.9
121.06488	10.7
121.10131	13.7
123.04411	1.4
123.08032	5.5
123.11688	8.4
125.05968	1.1
125.09619	4.6
127.03916	3.5
127.07528	2.4
128.06183	2.5
129.05464	1.5
129.06960	7.4
130.07735	0.8
131.04857	0.9
131.08546	21.0
132.05750	0.7
133.06523	4.8
133.10109	68.3
134.10449	1.2
135.08040	9.0
135.11662	12.0
137.05956	1.2
137.09595	3.9
139.07516	1.2
139.11153	1.5
141.06993	2.2
142.07765	1.6
143.08548	7.5
145.06477	1.3
145.10104	16.2
147.08054	4.2
147.11667	9.5
149.09601	17.8
149.13243	5.4
151.11159	24.3
153.09085	0.9
153.12694	0.9
155.08492	2.9
157.10146	5.6
159.08070	2.4
159.11681	10.1
161.09593	7.4
161.13222	3.9
163.07520	1.3
163.11147	9.4
163.14848	0.9
165.09087	1.2
165.12724	1.4
167.10565	0.8
169.10185	3.1
169.12180	4.6
171.11632	4.4
173.04428	2.1
173.09595	1.3
173.13220	4.7
175.11183	3.6
177.09128	1.2
177.12654	4.0
179.10652	2.9
179.14282	3.7
181.10027	1.3
183.11615	1.9
184.07436	0.9
185.13185	2.1
187.11156	2.3
187.14891	1.0
189.11107	1.7
189.12723	2.2
193.12201	1.2
195.11809	1.2
195.13754	3.6
197.13239	2.6
199.11168	1.7
199.13130	0.6
201.12752	1.1
201.16278	0.8
205.12227	1.2
207.13931	0.9
209.13406	1.0
213.12834	0.7
215.12706	4.1
217.15866	0.7
219.13901	0.9
223.13277	1.0
227.12703	4.5
227.17838	2.1
229.19479	1.7
231.17320	0.9
233.15233	1.0
237.16469	1.1
239.17909	1.9
245.18933	4.2
247.20532	2.8
251.12706	1.9
253.14317	100.0
254.14581	3.2
255.15561	5.4
257.18906	6.5
263.20056	3.1
267.15897	2.3
269.17447	16.2
271.15283	3.6
273.18439	23.9
275.20023	23.0
276.20474	0.7
291.19507	21.9
291.22809	1.4
292.19867	1.2
293.21133	2.2
303.15927	0.7
309.20605	2.7
321.92679	0.7
329.20935	1.1
331.22794	0.7
341.21307	0.9
347.22150	10.3
349.23660	21.1
365.23175	28.7
367.24734	2.6
371.17099	0.7
373.23126	0.8
413.21545	1.2
423.23819	2.1
447.27475	4.2
451.26764	4.3
461.28970	1.3
463.26831	1.5
465.28375	10.5
499.33838	0.8
519.33673	0.8
527.33600	4.2
541.35339	7.5
543.32941	1.0
545.34619	22.4
546.35046	1.5
559.36206	40.1
560.36438	2.5
621.41296	2.9
623.42401	1.0
638.30499	0.8
639.42554	16.5
657.43677	5.4
703.41064	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	0.9
65.03928	3.2
67.05495	65.7
68.05816	0.9
69.03423	12.1
69.07058	37.6
69.63307	5.3
71.01356	0.8
71.04991	5.5
72.22711	0.7
73.02921	1.2
79.05479	47.4
80.05814	1.0
81.03400	13.4
81.07045	69.3
83.04967	11.4
83.08611	16.1
85.02915	4.0
85.06539	4.3
87.04478	1.1
91.04883	1.8
91.05468	47.6
93.07030	50.8
95.01325	1.2
95.04950	13.3
95.08595	26.7
97.02885	8.3
97.06517	12.7
97.10159	13.3
99.04446	1.8
99.08081	2.1
103.05429	1.2
104.24818	0.7
105.04528	0.9
105.07014	36.6
107.04943	14.1
107.08580	39.4
109.02848	2.0
109.06509	9.6
109.10136	24.1
109.28130	0.8
111.04454	2.3
111.08093	6.2
113.05984	1.1
113.09592	1.1
115.05457	2.0
117.06994	17.9
119.04975	1.0
119.08559	24.6
121.06493	8.1
121.10133	15.0
123.08052	6.0
123.11709	4.4
125.09605	11.5
127.03869	1.9
128.06210	1.5
129.05444	1.2
129.06996	5.3
130.07672	0.9
131.08549	20.9
133.06480	6.3
133.09093	1.6
133.10109	33.3
135.08047	7.3
135.11665	11.9
137.09612	5.3
139.11110	1.1
141.06941	1.8
142.07800	1.0
143.08522	6.3
144.09271	1.0
145.06459	1.7
145.10104	14.2
147.08023	6.2
147.11681	9.4
149.09590	12.1
149.13246	9.1
151.11159	10.6
153.09073	1.0
155.08545	2.8
157.10109	6.5
159.08034	1.6
159.11664	12.2
161.09622	5.4
161.13239	3.3
163.11133	7.2
165.09134	2.2
165.12730	1.5
169.10091	2.8
169.12238	2.7
171.10410	0.9
171.11668	4.5
173.04465	1.2
173.09660	1.6
173.11818	1.7
173.13268	4.0
175.11176	4.5
177.12730	6.0
179.10664	1.2
179.14285	2.2
181.10237	0.8
183.11707	2.3
185.13283	2.1
187.11235	2.0
187.14847	1.2
189.11246	5.2
189.12694	1.6
191.10492	1.2
193.12302	1.5
195.11940	1.2
195.13805	5.0
197.13196	2.6
199.14772	0.8
205.12196	2.9
211.13043	1.1
213.12767	1.3
213.14774	1.1
215.12706	1.4
223.13242	14.8
227.12712	9.9
227.17978	1.3
229.19374	2.0
233.15411	1.3
235.13240	0.9
238.07585	0.9
239.17932	2.3
245.18996	2.9
247.20534	1.1
249.14856	2.4
251.16324	1.3
253.14311	23.3
254.14793	1.5
255.15746	8.1
257.15866	0.7
257.18936	4.6
262.71167	0.9
263.20038	2.2
267.15863	3.2
269.17438	32.3
270.17892	1.6
271.15280	1.2
273.15521	0.7
273.18436	21.7
274.18613	1.2
275.16922	1.2
275.20007	23.3
276.20154	1.1
289.17950	1.0
291.19501	100.0
292.19904	4.0
293.20996	1.8
309.20508	2.7
315.23093	0.9
321.24445	0.9
331.22638	1.4
347.22128	6.4
349.23691	16.8
350.24084	1.3
365.23184	55.9
366.23541	3.3
367.24716	3.7
413.21753	1.4
431.29370	1.0
447.27014	1.9
461.28513	1.5
465.28622	1.4
467.31662	1.1
477.28195	1.2
527.33496	2.6
541.35303	7.8
545.34674	20.1
546.35425	1.2
559.36230	83.9
560.36285	6.7
575.35461	1.3
621.41193	2.4
639.42468	20.3
640.43011	2.3
657.43768	4.8
703.40027	1.3
854.45605	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.1
62.67317	0.7
65.03928	2.5
67.05494	51.6
69.03418	13.1
69.07056	47.9
69.76494	5.5
73.02909	0.9
79.05480	46.6
80.06217	0.9
81.03415	11.5
81.07043	49.3
82.07373	0.8
83.04972	8.2
83.08604	15.5
85.02892	4.5
85.06523	3.4
86.41762	0.7
91.05466	43.0
93.07027	46.1
95.01329	1.6
95.04957	12.9
95.08595	24.8
96.08098	1.1
97.02888	11.2
97.06515	14.5
97.10156	21.8
99.04417	0.9
99.08048	1.0
103.05445	1.2
105.04534	0.8
105.07011	35.7
107.04931	16.5
107.08581	35.3
109.02867	1.5
109.06507	6.8
109.10136	15.2
110.10461	1.0
111.04456	1.7
111.08051	4.4
115.05457	2.2
117.06996	15.6
119.04960	1.8
119.08566	25.8
121.06520	5.4
121.10116	13.4
123.04414	1.9
123.08073	4.4
123.11668	2.9
125.09607	16.8
127.03895	3.4
128.06171	1.5
129.06989	6.9
130.07822	1.1
131.08543	19.9
132.05699	0.8
133.06500	4.6
133.10109	21.3
134.07240	1.6
134.27315	0.7
135.08049	6.8
135.11696	10.3
137.09583	3.6
139.11180	0.8
141.06964	1.9
143.08545	6.0
143.10492	0.8
145.06471	1.6
145.10098	14.8
147.08014	5.6
147.11662	10.5
149.09581	12.2
149.13258	4.9
151.11160	3.9
153.09056	1.3
155.08565	1.6
157.10107	5.8
159.08046	1.6
159.11646	9.3
161.09653	3.8
161.13217	4.4
162.10356	1.6
163.11192	6.5
165.09055	1.3
169.10107	2.3
171.10159	1.7
171.11664	4.1
173.04366	0.9
173.09677	0.8
173.11826	1.6
173.13278	3.7
175.11166	2.8
177.12691	3.2
179.14316	3.0
181.12332	0.8
183.11696	3.2
185.13213	2.8
187.11205	1.6
189.11198	9.6
189.12704	1.1
193.12245	1.7
195.11673	1.5
195.13789	3.6
197.13312	1.6
199.14818	1.5
201.12669	1.0
205.12253	2.7
213.12711	0.8
217.15892	0.8
223.13255	18.1
227.10541	1.1
227.12733	22.1
227.17896	0.9
229.14279	0.9
229.19452	2.0
239.17934	1.7
245.18933	1.7
247.20712	1.5
249.14792	4.3
251.16422	1.0
253.14268	3.1
253.17845	1.1
255.15894	3.4
257.18970	6.9
263.20016	1.4
267.15942	2.5
269.17450	9.2
273.18484	14.3
275.20032	29.2
276.20410	0.9
291.19495	100.0
292.19879	3.6
293.21158	2.0
309.20514	1.5
321.24161	1.8
331.22592	3.5
347.22165	3.5
349.23679	27.4
350.23849	1.3
365.23190	39.3
366.23215	1.6
367.24701	1.5
397.22324	1.0
413.43805	0.9
431.21527	1.0
461.28802	2.0
463.30606	1.0
519.33014	2.8
535.32684	4.8
541.34857	2.5
543.36536	2.7
545.34558	8.1
559.36243	25.4
560.36353	2.0
611.42712	1.2
621.41089	3.1
639.42474	39.3
640.42352	3.1
657.43488	3.3
703.40613	1.2
854.46326	1.1
862.67249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	5.8
64.64172	0.3
65.03925	1.4
67.05494	44.3
68.05811	0.9
69.03408	2.2
69.07056	10.0
69.28579	2.3
69.29010	1.5
71.01341	0.3
71.04984	12.0
73.02905	2.4
77.03868	0.3
79.05483	17.7
81.03403	3.6
81.07043	59.4
82.07369	0.5
83.04965	3.9
83.08607	9.6
83.49142	0.4
85.02893	9.2
85.06528	5.4
87.04458	0.9
87.25403	0.4
91.03938	4.4
91.04879	0.6
91.05465	15.5
93.07030	29.2
94.07365	0.5
94.88100	0.3
95.04958	3.9
95.08590	11.3
97.02875	4.2
97.06514	6.7
97.10155	2.8
98.52357	0.4
99.04485	0.6
99.08090	2.1
103.03932	0.5
105.07011	6.2
107.04944	1.2
107.08580	17.6
108.70864	0.4
109.02865	0.8
109.06485	2.3
109.10133	10.1
110.10423	0.3
111.08066	3.6
111.11676	0.5
113.06007	0.7
113.09661	0.7
117.06991	4.3
119.08580	3.0
121.06497	1.2
121.10123	10.6
123.08067	0.7
123.11678	7.6
125.09627	2.2
127.03893	1.9
127.07571	0.5
129.05472	0.5
129.06978	0.7
131.08549	5.1
133.10106	11.5
135.08043	1.1
135.11668	6.3
137.09634	0.7
139.11153	1.3
144.13660	0.3
145.04860	1.7
145.10107	0.7
147.04417	0.9
147.11661	1.2
149.09622	1.3
149.13235	17.7
151.11154	3.8
157.10164	0.5
159.11659	7.4
163.06013	1.2
163.11194	1.3
165.12715	0.4
165.74107	0.4
167.14240	0.5
169.12244	0.5
173.11742	1.6
175.11121	0.5
177.12721	4.0
181.12131	0.4
183.13808	1.0
185.11641	0.4
187.13235	1.8
191.10730	0.4
193.12277	0.7
195.13766	5.1
199.13306	0.8
209.11679	0.6
211.13246	0.8
213.14833	1.0
225.14882	0.7
225.73373	0.3
227.12704	1.3
229.14331	7.0
239.16356	0.7
267.15924	1.6
269.17441	17.5
270.17847	0.7
283.15491	0.6
301.16452	2.3
301.20102	3.9
363.69003	0.3
393.26648	0.4
411.27371	1.1
419.27707	0.6
420.88062	0.4
423.27267	5.8
437.28940	26.2
438.29498	1.2
445.24020	0.5
445.29742	0.6
451.30557	2.9
459.27374	0.6
463.30475	100.0
464.30737	4.2
477.28180	0.9
495.33798	22.7
496.33298	1.2
505.10269	0.4
513.30463	2.9
581.32953	0.7
607.34552	1.4
639.37207	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	854.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	6.8
61.03212	0.9
65.03910	1.0
67.05492	19.5
67.07016	0.4
67.07396	0.5
67.55325	0.4
69.03416	3.0
69.07052	7.5
71.04971	3.6
71.62453	0.7
73.02914	3.0
79.05477	14.8
81.03401	31.5
81.07040	44.5
82.07367	0.7
83.04964	8.3
83.08601	16.1
85.02885	18.2
85.06530	2.6
91.03486	0.4
91.03938	4.9
91.05464	21.4
92.50606	0.5
93.07023	12.6
95.04361	0.8
95.04949	15.0
95.08587	12.2
97.02361	0.5
97.02870	5.3
97.06505	5.1
97.10158	2.4
99.04452	1.0
99.08044	1.9
101.05940	0.8
101.60581	0.4
105.07011	22.1
107.04932	3.2
107.08573	10.1
109.02805	0.4
109.06487	4.1
109.10133	3.1
111.04395	1.9
111.08062	6.6
113.05938	1.9
113.06670	0.5
115.05420	0.7
117.05431	0.4
117.06969	1.7
119.04905	0.6
119.08553	18.8
121.06461	1.6
121.10115	15.1
123.04393	0.5
123.08028	2.8
123.11683	12.7
125.05923	0.4
125.09566	1.6
127.03875	2.3
127.07504	1.7
129.05501	0.5
129.06978	6.7
131.08536	6.2
133.06499	2.1
133.10114	7.4
135.08008	0.8
135.11656	2.2
137.05954	0.9
137.09579	1.6
137.13171	1.5
141.09056	0.6
142.07697	1.4
145.04924	2.4
145.10110	2.3
145.68959	0.4
147.04437	0.7
147.08080	2.3
147.11659	37.7
148.11952	0.5
149.09627	3.7
149.13231	0.9
151.11086	0.5
153.12682	0.7
157.10103	8.7
158.10580	0.5
159.11560	0.8
163.05998	2.1
163.11118	2.4
165.11378	0.9
165.12723	13.9
167.07002	2.2
173.09612	0.8
175.09727	1.0
175.11145	9.8
181.04903	0.7
181.12189	0.6
183.13657	0.9
191.10704	0.7
192.63751	0.5
193.12207	27.2
194.12447	0.5
195.13751	0.5
209.11646	0.8
211.13239	32.6
212.13632	1.0
227.12589	0.5
229.14310	2.7
231.13615	0.5
243.15906	0.6
244.45364	0.5
267.15857	66.0
268.16202	1.4
269.17404	3.0
283.15427	2.5
284.15845	0.7
285.16904	79.3
286.17276	1.3
287.18573	0.6
301.16620	1.1
385.23706	1.3
423.27390	0.5
429.21371	0.7
451.27097	3.0
459.27496	5.7
477.28400	32.9
478.28625	1.3
493.27881	0.7
494.28226	0.8
495.29434	100.0
496.29968	2.7
621.32568	0.9
639.33484	2.8
644.24518	0.6
657.34479	0.6
742.45068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	14.9
65.03917	4.2
67.05495	94.7
69.03413	8.0
69.06712	1.4
69.07059	18.4
70.64008	1.6
70.64371	1.8
71.01343	2.1
71.04985	6.3
73.02905	8.2
79.05482	38.3
81.03406	17.8
81.07045	71.3
83.04978	9.8
83.08606	20.4
85.02895	33.3
85.03412	1.5
85.06537	5.3
87.04459	4.8
91.03939	12.6
91.05466	32.2
93.07030	44.1
95.04961	12.0
95.08597	24.5
97.02876	15.3
97.06512	11.9
97.10153	16.7
99.04456	2.1
99.08092	1.8
103.03917	1.8
105.04503	0.8
105.07015	14.7
106.95591	1.0
107.04944	6.5
107.08580	26.0
109.02861	1.7
109.06480	4.2
109.10137	50.7
111.04407	2.0
111.08074	8.4
113.06010	1.7
113.09644	0.8
115.03886	1.1
116.04691	1.0
117.07017	8.7
119.04946	3.7
119.08567	11.1
121.06474	2.9
121.10116	10.5
123.08044	3.1
123.11700	3.6
123.60674	0.8
125.09614	15.3
127.03894	6.1
129.05473	5.2
129.06973	3.0
131.08545	10.3
133.10115	13.1
135.08075	3.0
135.11681	11.5
137.09570	4.3
139.07547	1.2
139.11147	0.9
143.06987	1.3
143.10683	2.1
145.04938	6.5
145.10095	5.9
147.04393	11.3
147.08015	1.0
147.11662	6.7
148.04712	1.3
149.02313	1.4
149.09598	3.0
149.13243	10.8
151.11156	1.6
153.12695	3.0
155.10632	2.1
157.08563	1.1
157.10115	2.2
159.11659	7.2
163.06020	6.4
163.11169	9.2
165.12714	3.5
173.04396	1.5
173.09601	1.6
173.11716	13.6
173.13158	1.4
175.11200	2.7
177.12685	4.0
181.12184	4.1
184.07413	1.0
185.11710	0.9
189.11214	1.4
191.10643	3.4
191.87585	0.9
193.12225	7.9
195.13800	12.8
199.13220	7.2
209.11691	7.1
211.13258	7.8
213.14818	2.3
227.12772	11.2
229.14316	53.7
239.16296	4.4
249.14890	1.0
255.15773	1.2
257.13660	1.0
265.14297	1.1
267.15857	16.9
269.17447	59.7
275.19894	1.1
275.93188	0.9
283.15283	9.7
285.16937	5.1
301.16406	19.9
313.16394	1.5
323.18402	2.5
339.22955	0.8
349.23666	1.3
357.24243	2.2
393.26227	2.8
411.27274	5.2
423.27359	43.2
431.27679	5.1
439.26859	1.6
449.28763	3.4
459.27365	1.6
463.30682	1.2
477.28204	4.2
495.29468	100.0
496.29617	2.6
513.30518	32.1
541.34698	1.1
559.36005	1.7
712.10730	1.1
846.17151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	10.3
65.03920	1.4
67.05495	22.7
69.03419	5.9
69.06711	0.5
69.07063	7.2
71.01334	0.4
71.04984	5.9
73.00776	0.3
73.02902	3.2
73.06551	0.4
77.03912	0.6
79.05482	26.4
79.89021	0.3
81.03406	79.7
81.07044	29.1
81.07417	0.3
81.07613	0.3
81.07742	0.5
82.03729	0.7
83.04969	18.1
83.08606	30.2
84.08953	0.3
85.02892	39.8
85.06532	2.4
86.03185	0.3
87.04443	0.9
91.03948	7.4
91.05466	36.1
92.05784	0.6
93.07030	19.1
95.04955	31.6
95.08591	11.9
95.09216	0.5
97.02879	8.9
97.06516	4.4
97.10152	5.5
99.04440	1.2
99.08106	1.5
103.03939	0.4
103.05454	0.4
105.04520	0.6
105.07015	27.9
107.04938	9.0
107.07849	0.4
107.08578	8.5
109.02880	0.8
109.06509	5.5
109.10138	3.2
111.04420	2.5
111.08066	13.7
113.06002	3.1
115.03935	0.5
115.05438	1.8
117.07003	2.1
119.04911	0.7
119.08566	25.3
121.06499	2.3
121.10127	11.8
121.11012	0.5
123.08055	3.6
123.11688	1.8
125.05954	0.7
125.09621	2.5
127.03895	2.6
127.07538	0.9
127.08438	0.3
128.06229	0.5
129.05531	0.4
129.06987	13.9
131.08551	14.9
133.06476	3.9
133.10109	14.3
135.08052	0.9
135.11688	0.7
137.05980	0.7
137.09631	2.2
141.06927	0.4
142.07776	3.1
145.04935	2.7
145.06522	0.4
145.10085	2.7
147.08031	3.6
147.11667	20.6
149.09592	9.0
151.07492	0.4
151.11160	0.8
153.09056	0.3
155.08527	0.4
157.10104	19.2
158.10493	0.3
161.09715	0.4
163.06004	3.0
163.11147	1.7
165.12732	4.4
167.07027	0.9
171.08015	0.4
175.11160	20.5
176.11404	0.3
185.13303	0.5
189.11244	0.5
193.12216	59.2
194.12604	0.9
211.13261	79.6
212.13655	1.5
220.40739	0.3
227.12794	0.5
229.14316	0.6
231.13832	0.4
233.15373	0.5
249.14854	1.3
262.28067	0.3
267.15875	43.4
268.16205	0.7
273.14899	0.9
285.16919	82.9
286.17288	1.4
349.21442	0.5
355.17664	0.5
367.22659	2.4
385.23752	4.3
403.24878	1.7
411.20221	0.4
433.25717	2.5
441.26263	2.3
459.27353	38.1
460.27692	1.0
477.28415	39.3
478.28799	1.0
483.19394	0.4
495.29474	100.0
496.29654	2.8
621.32660	0.9
639.33527	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	5.8
63.22110	0.3
65.03927	1.2
67.05493	30.6
69.03413	2.8
69.07055	12.1
71.04983	3.1
73.02908	3.3
73.06553	0.5
79.05481	18.6
81.03402	5.9
81.07043	55.4
82.04165	0.6
82.07407	0.5
83.04967	7.8
83.08604	9.2
85.02892	8.7
85.06528	3.4
87.04440	0.5
91.03950	5.2
91.05466	16.6
93.07028	18.4
95.04955	5.7
95.08586	12.5
95.09153	0.8
96.04483	0.5
97.02881	4.7
97.06507	6.1
97.10157	3.2
98.07288	0.8
99.04465	1.4
99.08059	3.6
101.05999	1.3
105.07011	20.6
107.04943	2.3
107.07845	0.9
107.08577	15.4
109.02888	0.6
109.06499	5.2
109.10142	4.9
111.04427	0.6
111.08061	3.4
113.05984	0.9
115.03938	0.7
116.04714	2.1
117.07008	3.0
119.08560	16.4
121.06480	1.5
121.10125	15.3
123.08037	2.9
123.11686	18.8
125.09612	3.2
127.03889	2.4
127.07558	2.5
129.05444	4.5
129.06998	1.9
131.08569	3.1
133.06464	0.6
133.10107	4.8
135.08020	1.0
135.11682	3.7
137.09586	1.1
137.13210	1.0
139.11165	0.6
141.09081	0.9
142.07643	0.5
143.07051	0.6
143.08598	0.5
145.04910	1.9
145.10074	1.5
147.11667	48.8
149.09583	1.4
149.13231	8.1
153.06963	0.4
153.12781	0.5
157.08583	1.7
157.10098	2.3
158.05743	0.7
159.11656	3.4
163.05960	2.2
163.11150	1.9
165.12726	19.6
171.06558	0.7
171.10112	0.8
173.09554	0.4
173.11722	1.3
175.11182	2.2
177.12665	2.4
181.12206	0.8
183.13776	2.8
189.11214	1.3
191.10622	1.0
193.12216	2.9
195.13768	3.6
199.09698	0.4
199.13307	3.1
200.14006	0.4
209.11694	1.6
211.13248	2.3
213.14799	0.6
227.12708	2.9
229.14346	3.6
229.40976	0.4
255.15858	0.7
267.15872	52.0
268.16220	1.0
269.17426	21.4
281.22632	0.4
283.15347	3.7
285.16910	61.7
286.17273	1.4
301.16367	8.3
303.17813	0.7
323.18585	1.1
357.24609	0.4
373.18549	0.5
385.23328	0.5
393.26349	1.7
411.27347	4.0
423.27347	10.6
423.32846	0.8
424.27844	0.5
449.28885	0.6
459.27277	1.9
461.28772	1.7
477.28412	14.5
478.28900	1.8
495.29456	100.0
496.29898	2.8
513.30316	0.8
621.32379	1.0
627.61871	0.5
639.33289	1.5
733.90558	0.5
868.27570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	7.6
64.79935	0.3
65.03919	2.6
67.05493	39.8
69.03422	2.3
69.07057	8.3
71.01357	0.5
71.04988	4.1
71.62457	0.6
73.02903	3.9
78.01566	0.3
79.05482	17.6
81.03403	8.1
81.07043	37.3
81.81688	0.3
83.04974	4.5
83.08611	8.8
85.02890	14.0
85.06516	2.3
87.04456	2.0
89.03864	0.6
91.03939	6.2
91.05465	23.2
93.07027	20.2
95.04950	4.2
95.08594	11.2
96.04460	0.4
97.02876	6.0
97.06519	4.8
97.10158	5.8
99.04440	1.0
99.08083	0.8
103.03907	0.9
105.04523	0.4
105.07013	6.9
105.45162	0.3
107.04948	2.4
107.08578	13.5
108.01286	0.4
109.02847	1.0
109.06493	1.2
109.10136	22.0
111.04430	1.4
111.08062	3.1
111.53467	0.3
113.06013	0.4
115.03888	0.7
115.05392	0.5
115.07767	0.4
115.55730	0.3
116.04720	0.5
117.03359	1.8
117.07003	4.7
119.04922	21.5
119.08543	5.6
121.06490	1.6
121.10126	7.0
123.08035	1.0
123.11703	2.6
125.09608	4.9
127.03899	3.4
127.07489	0.6
127.17558	0.3
129.05466	2.3
129.06982	1.1
131.08545	4.7
133.10104	8.0
135.08015	1.4
135.11664	5.5
137.09586	1.6
139.11145	0.4
143.07047	0.6
143.10625	1.0
145.02821	4.0
145.04915	2.3
145.10086	2.3
147.04384	100.0
147.11662	2.4
149.05928	0.8
149.09604	1.2
149.13234	6.1
151.11150	1.1
153.12671	1.1
155.10616	1.0
157.08673	0.5
157.10083	1.0
159.11673	4.3
163.06004	3.3
163.11151	3.5
165.12729	1.3
171.11671	0.4
173.09604	0.7
173.11729	5.7
175.11182	1.6
177.05437	10.7
177.12689	2.0
180.08467	0.4
181.12186	1.0
185.11713	0.5
185.13234	0.4
187.13254	0.5
189.11160	0.4
191.10631	1.1
193.12241	2.5
195.13765	6.7
199.13223	2.7
209.11696	2.3
211.13220	2.2
213.14801	1.1
226.57623	0.3
227.12750	3.3
229.14325	18.1
230.14703	0.4
239.16403	1.2
251.16292	0.4
255.15942	0.5
257.13831	2.5
265.14420	0.5
267.15848	4.6
269.17444	27.2
270.17950	0.5
271.05908	0.4
275.19971	0.8
283.15329	3.1
285.16946	1.5
297.16916	0.8
301.16467	7.3
301.19952	0.9
313.16278	0.5
317.06494	1.2
323.18344	0.4
349.23669	0.8
393.26257	1.0
403.24576	0.4
411.27441	2.7
423.27368	20.4
424.27637	0.7
431.27957	1.0
435.10641	0.4
437.28934	3.5
439.26971	0.5
449.28934	1.1
459.27155	0.5
463.30484	3.8
477.28378	2.5
495.29044	41.6
496.29514	1.9
513.30505	11.2
515.86426	0.4
539.15552	0.8
541.34845	0.6
559.36194	1.1
607.34119	0.6
639.36163	0.6
657.33441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.7
64.23076	0.8
67.05492	23.1
69.03419	1.4
69.07055	9.4
71.01323	2.3
71.04965	1.2
71.08624	14.6
73.02892	2.3
79.05475	16.7
81.03399	3.8
81.07046	13.8
83.04967	5.8
83.08597	7.5
85.02894	7.7
85.06524	1.8
85.10168	8.3
86.16781	0.8
89.06039	1.7
89.24036	1.0
91.03918	4.0
91.05457	6.6
91.49023	0.8
93.07024	23.7
95.04945	2.0
95.08596	14.4
97.02872	3.3
97.06512	6.2
97.10162	7.0
98.20694	1.6
99.08096	1.1
105.07019	1.5
107.08565	17.2
109.10149	8.7
111.08067	1.0
111.11713	1.1
117.07013	2.2
118.08966	0.9
119.08521	2.7
121.06459	1.4
121.10133	3.7
123.11671	1.9
127.03893	2.2
133.10117	1.6
135.11670	29.8
143.76688	0.9
145.04895	1.8
145.10107	4.9
153.12743	2.0
163.05963	2.4
163.11092	3.8
181.12193	8.0
228.42043	1.0
235.66216	1.2
239.23605	1.7
255.15872	100.0
256.16257	2.1
257.24722	1.6
313.27316	52.0
314.27710	2.1
493.38809	93.3
494.38910	3.4
557.67212	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	0.6
65.03910	1.3
67.05497	20.1
69.03425	8.0
69.07059	25.2
69.88448	1.8
69.88866	0.9
71.04980	1.6
73.02891	0.5
79.05485	17.3
80.05803	0.5
81.03410	6.3
81.07049	15.9
83.04966	3.6
83.08608	8.1
85.02882	1.1
85.06521	0.5
89.29711	0.5
91.05470	14.5
93.06462	0.9
93.07030	14.2
95.01348	0.6
95.04961	7.4
95.08604	8.5
97.02886	9.4
97.06509	3.7
97.10159	11.7
98.20834	0.7
99.04443	0.6
99.07995	0.5
103.05437	0.9
105.06371	0.8
105.07015	10.0
107.04941	6.3
107.08578	12.0
108.05724	0.6
109.02824	1.5
109.06523	2.4
109.10151	6.0
111.04421	1.2
111.08052	1.4
115.05432	1.0
117.06988	5.5
117.92169	0.5
119.04916	1.6
119.08566	9.6
121.06463	2.5
121.10130	3.7
123.04460	0.5
123.08099	2.3
125.06001	0.8
125.09612	8.8
127.03893	0.9
129.07007	3.6
131.08559	7.1
133.06494	2.6
133.10097	4.7
134.07278	1.3
135.08041	2.6
135.11665	2.4
137.09610	1.9
139.11206	0.6
141.06906	0.5
142.07742	0.7
143.08534	3.3
145.06447	0.9
145.10101	5.4
147.04333	0.5
147.08049	5.1
147.11676	2.6
149.09599	1.8
149.13208	1.5
151.11096	0.8
153.09088	1.3
155.08536	0.7
157.10121	2.4
159.11667	1.6
161.09532	2.2
161.13214	0.7
162.10359	1.1
163.11113	1.0
165.09033	1.0
169.10182	1.1
171.10184	1.0
171.11647	1.3
173.04401	0.6
173.13225	0.9
175.11156	2.1
177.12717	1.4
184.07254	0.6
185.13268	0.6
187.11369	0.4
187.13315	0.6
189.11188	3.5
189.12639	0.7
193.12177	1.2
195.13779	1.1
205.12250	1.3
211.13168	1.2
212.38161	0.6
223.13257	15.9
227.12756	5.8
245.19124	1.1
249.14874	4.0
253.14545	0.5
255.17406	1.0
263.20169	0.6
267.15808	1.3
273.18451	14.3
283.15543	0.5
291.19507	100.0
292.19913	3.6
309.20697	1.0
347.22162	2.9
365.23187	52.6
366.23541	1.5
446.60077	0.5
475.61893	0.5
517.31592	0.7
535.32416	0.8
557.34424	2.3
575.35925	2.2
587.36157	0.9
637.40790	3.6
655.41968	51.3
656.42279	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	852.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	1.1
67.05495	43.1
69.03419	9.4
69.07056	25.8
71.04975	3.9
77.03928	0.7
79.05481	33.2
81.03409	7.6
81.07043	43.3
83.04977	7.0
83.08607	8.5
85.02888	1.8
85.06539	3.5
91.05466	40.1
91.39324	0.7
91.43162	0.8
93.07028	31.0
94.07394	0.8
95.01318	1.0
95.04948	10.4
95.08041	1.3
95.08593	16.2
97.02871	7.4
97.06524	5.4
97.10150	8.3
98.20705	1.8
99.04446	0.9
99.08099	0.7
103.05424	1.2
105.07011	34.0
107.04934	11.7
107.08578	28.2
109.02849	1.1
109.06503	6.9
109.10140	33.4
111.04420	1.3
111.08064	2.4
113.05977	1.4
115.05423	1.9
117.06995	9.1
119.04913	1.8
119.08554	14.5
120.05669	1.0
121.06481	7.9
121.10133	6.5
123.04401	1.1
123.08071	5.1
123.11709	4.4
125.09585	6.4
128.06213	1.6
129.06970	5.3
130.07756	0.8
130.75603	0.7
131.08548	11.3
133.06470	5.4
133.10109	41.1
134.07207	1.4
135.08035	7.2
135.11644	4.6
137.09587	3.3
139.07501	1.0
143.08522	5.4
143.09492	0.8
145.06465	2.1
145.10089	8.7
147.08005	7.1
147.11641	4.3
149.09628	4.7
149.13249	2.5
151.11172	16.7
153.09103	1.1
155.08511	1.3
157.10051	3.6
159.08060	1.7
159.11719	4.5
161.09592	5.0
161.13200	2.0
162.10315	0.7
163.11177	2.1
165.09038	1.3
165.12708	1.0
167.08424	0.8
169.10170	0.9
169.12199	3.4
171.11658	2.3
173.09561	1.2
173.13229	1.6
175.11212	3.6
175.14723	0.9
177.09190	0.9
177.12727	1.2
179.10648	1.4
185.13127	1.3
187.11160	1.1
189.11208	2.7
189.12747	1.1
193.12241	1.7
195.13760	1.3
199.11276	0.7
205.12184	0.9
215.12756	2.4
223.13268	14.4
227.12733	3.8
227.17953	1.6
245.18886	3.9
249.14755	3.4
251.12776	1.4
253.14316	75.7
254.14520	0.8
255.17384	3.0
262.15399	1.0
263.20041	2.3
273.18448	29.7
274.18692	0.8
291.19498	100.0
292.19919	1.7
309.20520	2.2
329.21017	1.1
347.22079	9.8
365.23169	52.5
366.23581	1.0
423.23972	0.9
543.32953	3.3
559.32660	1.3
561.34229	20.8
562.34583	0.8
575.35760	2.2
612.87994	0.8
637.40924	9.3
655.41913	35.0
656.42383	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	6.0
65.03902	0.6
67.05495	11.0
69.03419	2.7
69.06717	0.3
69.07053	3.5
70.07351	0.7
71.01310	0.7
71.04984	2.7
73.02904	2.3
73.06538	0.3
77.03903	0.3
79.05482	12.9
81.03407	28.5
81.07046	13.8
82.07359	0.2
83.00883	0.2
83.01335	3.2
83.04971	8.8
83.05433	0.3
83.08606	13.0
84.08909	0.3
85.02894	16.1
85.06537	1.2
87.04433	0.5
91.03950	4.5
91.05468	14.5
93.07029	14.5
95.04955	12.8
95.08054	0.4
95.08595	5.8
97.02879	5.1
97.06513	2.8
97.10167	2.4
99.04442	1.6
99.08060	0.6
103.05436	0.7
105.04430	0.3
105.07016	10.3
107.04942	6.5
107.08576	7.5
109.02831	0.7
109.05790	0.3
109.06510	4.9
109.10139	1.8
111.04433	1.8
111.07362	0.4
111.08064	5.4
113.06001	1.3
113.99400	0.2
115.03908	0.4
115.05428	0.8
117.07006	3.2
119.04942	0.4
119.08568	9.8
121.06483	2.0
121.10131	6.6
123.04353	0.7
123.08049	4.5
123.11690	0.7
125.05949	0.9
125.09599	1.6
127.03902	1.9
127.07526	0.4
129.05397	0.3
129.06989	4.0
130.07745	0.5
131.04842	0.3
131.08548	5.5
133.06497	1.4
133.10109	4.8
135.07999	0.9
135.11671	4.9
137.05942	0.6
137.09607	1.2
137.13193	0.2
139.07492	0.4
139.11105	0.3
142.07727	0.8
143.08513	0.6
145.04977	1.5
145.06415	0.6
145.10101	8.1
147.04364	0.3
147.08025	1.8
147.11664	6.4
149.05902	0.3
149.09592	2.7
151.11115	0.2
153.12755	1.1
155.08505	0.8
157.06447	0.3
157.10110	5.4
161.05888	0.4
163.06015	2.2
163.07286	0.4
163.11156	10.4
165.09039	0.3
165.12724	1.4
167.06989	1.3
173.09627	1.4
175.11162	6.3
181.04945	0.6
181.12196	1.7
189.11197	0.3
191.10672	1.4
193.12213	18.9
194.12555	0.3
209.11685	2.2
211.13263	24.6
212.13596	0.5
227.12708	1.6
249.14781	0.6
265.14307	0.4
267.15900	6.0
283.15353	36.5
284.15640	0.5
285.16922	23.3
286.17422	0.3
365.20938	0.5
383.22113	1.6
401.23273	0.8
419.24277	0.3
447.27097	0.2
457.25806	3.3
475.26859	18.0
476.27042	0.4
493.27887	100.0
494.28214	3.5
637.32361	1.2
852.44788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	6.3
61.97753	0.4
65.03918	1.0
67.05495	11.6
69.03416	2.7
69.07053	4.0
70.74187	0.8
70.74549	0.4
71.01328	0.8
71.04984	3.3
73.02911	2.0
77.03867	0.3
79.05477	15.6
81.03401	30.6
81.07041	15.7
82.03687	0.3
83.01328	3.3
83.04471	0.7
83.04961	10.5
83.08603	13.4
85.02888	16.4
85.06514	1.3
87.04504	0.3
91.03942	5.1
91.05463	15.8
93.07024	13.9
95.04948	13.6
95.08588	5.8
96.04477	0.5
97.02872	6.9
97.06510	3.4
97.10155	2.0
98.20877	0.4
99.04430	1.7
99.08044	0.9
101.02346	0.3
103.05393	0.5
105.07006	11.5
107.04935	7.2
107.08569	8.5
109.02859	0.9
109.06494	5.1
109.10140	2.0
111.04401	2.1
111.08060	4.6
113.05972	1.4
115.03918	0.3
115.05457	0.9
117.07004	3.6
119.04950	0.3
119.08561	11.6
121.06454	2.7
121.09316	0.3
121.10135	6.2
123.04396	0.7
123.08046	5.6
123.11689	1.0
125.05974	1.4
125.09604	1.3
127.03892	2.2
127.07527	0.3
129.06966	4.8
130.07658	0.3
131.04924	1.0
131.07587	0.4
131.08548	6.0
133.06439	1.8
133.10118	5.5
135.08040	1.1
135.11667	6.5
137.05962	1.2
137.09576	1.4
139.07539	0.6
142.07770	0.9
143.08580	0.6
145.04955	1.9
145.06499	0.8
145.10098	7.8
147.04405	0.4
147.08015	2.0
147.10492	0.4
147.11659	6.6
147.55229	0.3
149.09595	3.6
151.07466	0.6
151.11186	0.5
153.12727	1.2
155.08537	0.6
157.10097	6.5
161.05934	0.4
163.05998	2.3
163.07335	0.7
163.11148	13.1
165.12697	1.2
167.07047	2.3
173.09549	1.8
175.11165	7.2
181.04968	0.6
181.12137	1.5
189.11308	0.5
191.10652	1.7
193.12212	18.9
203.90942	0.4
209.08157	0.5
209.11696	2.6
211.13243	24.9
212.13651	0.5
227.12737	2.1
265.14349	0.6
267.15887	6.5
273.15286	0.4
283.15335	38.0
284.15744	0.8
285.16898	22.7
286.17340	0.7
383.22092	2.3
401.22894	0.8
417.15115	0.6
418.15585	0.5
419.23883	0.4
457.25842	3.9
475.26837	18.4
476.27118	0.7
493.27863	100.0
494.28171	4.5
637.32672	0.7
852.46814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	5.1
65.03892	1.7
67.05494	36.1
69.03416	3.6
69.07058	10.0
69.56979	1.9
69.57404	2.3
71.04981	4.0
73.02879	1.9
73.06525	1.1
77.03897	0.6
79.05480	49.1
79.27405	0.5
80.05836	0.6
81.03405	42.2
81.07041	37.5
83.04970	14.5
83.08604	17.3
84.73192	0.6
85.02890	15.4
85.06533	2.7
91.03952	3.5
91.05464	47.9
92.05754	0.8
93.07027	50.1
94.07331	0.8
95.04951	29.3
95.08589	18.3
97.02873	5.7
97.06498	4.8
97.10135	4.3
99.04404	1.1
99.08023	0.9
105.04489	0.9
105.07013	36.3
107.04288	0.6
107.04952	9.1
107.07861	0.8
107.08572	16.4
109.02826	0.9
109.06495	7.3
109.10165	4.0
111.04385	2.2
111.08054	6.9
113.05944	1.7
115.05443	1.3
117.07007	6.3
117.30260	0.6
119.04875	0.6
119.08562	24.9
121.06481	2.6
121.10123	8.7
123.08059	5.1
123.11665	1.2
125.09567	1.6
127.03844	2.3
127.07533	1.4
128.06190	1.5
129.06982	17.3
131.08560	8.1
133.06438	2.3
133.10103	13.6
134.10455	0.6
135.08005	0.8
135.11627	2.2
137.05919	0.9
137.09586	1.2
139.07439	0.8
142.07709	1.7
143.08536	6.4
145.04884	1.8
145.10097	8.3
147.04375	1.1
147.08017	3.5
147.11661	32.5
148.12016	0.9
149.09622	4.9
149.13197	1.0
153.01772	0.9
156.09340	0.8
156.24864	0.7
157.10103	10.0
159.11592	2.1
161.09619	3.2
161.13220	7.8
163.05959	1.4
163.11160	1.4
165.12701	1.8
167.06921	0.9
169.10097	0.8
171.11659	16.7
175.11182	8.7
181.04866	0.6
189.12682	6.7
191.10391	0.6
193.12218	25.4
207.13777	21.5
211.13258	25.5
220.06761	0.7
225.14702	0.9
229.14394	0.7
249.14861	0.8
261.82666	0.5
263.16614	0.7
267.15891	30.9
268.16321	0.8
269.17526	0.7
281.17432	90.5
282.17798	2.7
283.15295	0.8
285.16910	25.5
421.25818	0.8
429.21072	0.9
447.27112	1.0
455.27554	1.2
473.28937	100.0
474.29257	5.9
491.29990	91.0
492.30334	4.7
571.32623	0.6
617.31836	0.9
629.65259	0.6
635.33600	2.4
653.31140	1.2
836.84406	0.6
860.47186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	2.2
61.02919	9.4
65.03924	2.5
67.05496	80.9
68.05842	0.9
69.03403	2.5
69.07066	7.0
71.04978	3.7
73.02915	3.8
78.72028	0.7
79.05051	1.4
79.05483	17.3
81.03402	2.6
81.07048	37.0
83.04958	1.6
83.08605	8.1
85.02897	15.1
85.06516	3.3
86.09700	1.0
91.03941	9.6
91.05466	11.1
93.07029	21.7
95.04949	2.7
95.08596	23.6
97.02888	6.1
97.06519	0.9
97.10162	2.1
98.21496	2.2
99.04430	1.0
99.08067	1.1
99.82796	0.7
105.07021	6.5
107.08585	13.9
109.02811	0.9
109.06446	1.2
109.10146	77.5
110.10481	1.5
111.08071	3.7
115.03931	1.1
117.07001	2.9
119.08571	11.7
120.38985	0.9
121.10126	10.0
123.11717	4.0
125.00019	0.9
125.09603	1.7
126.50045	0.7
127.03893	5.6
131.08546	5.7
133.10112	5.7
135.11670	8.3
137.09569	4.5
137.13242	0.9
145.04953	4.5
145.10103	4.6
147.11682	3.7
149.13246	5.0
155.10654	3.6
159.11670	2.6
161.13235	2.4
163.05957	4.6
163.14778	2.7
169.10081	0.9
171.11624	0.9
173.11742	22.6
173.13217	3.2
175.14873	1.0
177.16400	0.9
184.07309	3.2
184.08839	0.7
187.14824	1.0
189.11230	1.5
227.12729	7.2
229.14328	100.0
229.50821	1.0
230.14630	2.5
243.21077	4.5
255.15967	0.8
261.22104	21.5
317.24652	2.4
335.25754	68.0
336.26117	2.1
374.43890	0.9
379.30023	1.6
397.30807	2.4
415.31833	1.3
471.34512	2.5
489.35690	55.6
490.36316	2.1
507.36743	8.4
557.87708	0.9
572.03522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	3.3
61.02918	10.7
65.03932	2.1
67.05494	97.4
69.03429	3.1
69.07062	7.8
71.04977	4.6
71.08632	1.3
71.62962	0.6
71.63384	0.8
73.02913	4.1
79.05476	17.8
81.03411	2.2
81.07043	38.8
83.04993	1.1
83.08606	8.1
85.02893	14.4
85.06538	2.6
86.09722	0.7
91.03939	9.5
91.05467	14.1
91.06001	1.1
93.07029	26.9
95.04965	3.0
95.08590	27.7
97.02885	7.1
97.06513	2.1
97.10167	3.2
99.04454	1.1
99.08083	1.2
105.07008	7.8
105.07690	0.9
107.08576	15.6
107.09274	1.0
109.06530	1.3
109.10138	79.2
110.10476	1.6
111.08041	3.5
113.30841	0.7
113.78738	0.6
117.07002	2.4
119.08562	11.2
121.10125	13.3
123.08087	0.9
123.11700	4.2
125.09624	1.4
127.03880	4.4
127.11106	1.0
127.41011	0.6
131.08571	5.3
133.10109	6.1
135.08047	0.8
135.11668	9.5
137.09584	4.9
137.13243	1.4
145.04935	4.4
145.10106	4.7
147.11670	5.1
149.13240	6.1
155.10585	3.9
159.11703	4.5
161.13268	3.0
163.05992	4.9
163.14806	3.0
173.11732	21.6
173.13246	4.1
175.14713	1.5
177.16383	1.1
184.07341	2.8
186.07675	0.8
187.14827	2.5
189.11278	0.9
213.14891	0.8
227.12775	7.3
229.14316	100.0
230.14743	2.0
233.22620	0.8
243.21066	6.0
261.22116	21.0
313.27499	0.9
317.24719	2.8
335.25745	82.2
336.26175	3.0
352.34305	0.7
391.28403	0.7
397.30917	2.4
415.32059	1.9
471.34793	1.9
489.35684	89.3
490.36038	4.7
507.36740	10.1
633.39941	1.1
807.86243	0.7
866.89685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	1.1
67.05498	5.2
69.03400	2.3
69.07053	4.7
69.32182	6.2
69.32609	1.9
71.04988	0.8
79.05484	3.8
81.03409	2.0
81.07046	13.2
83.04954	1.1
83.08600	2.9
85.02889	6.7
91.05471	6.1
93.07030	11.8
95.04954	2.2
95.08595	24.6
97.02870	2.5
97.06497	2.6
97.10162	0.7
99.08076	2.9
103.05430	0.7
105.07011	12.8
107.04958	1.0
107.08580	20.0
109.02862	1.2
109.06505	1.7
109.09444	1.2
109.10144	13.3
110.07184	0.7
111.08080	2.5
113.06010	1.8
117.07010	2.1
119.08562	26.2
121.06482	1.2
121.10133	16.5
123.08024	4.5
123.11688	4.9
125.05920	1.0
125.09599	3.4
127.03908	1.9
127.07520	0.8
128.06180	1.0
129.06934	1.3
131.04817	0.8
131.08542	11.0
131.26050	0.8
133.06450	0.7
133.10104	13.3
135.08006	1.7
135.11671	8.0
137.05952	1.8
137.09592	1.2
137.13219	0.9
139.07518	1.7
141.09119	1.3
142.07700	0.8
143.08542	5.7
144.06525	1.1
145.04913	2.0
145.08438	1.1
145.10100	19.2
147.04330	1.3
147.07991	1.2
147.11646	19.4
147.12762	1.3
149.09657	0.8
149.13235	4.4
151.07564	1.1
152.07083	0.7
153.09096	1.3
155.08517	1.8
157.10104	7.8
158.10887	0.8
159.08078	0.8
159.11658	13.0
160.77316	0.7
161.09605	2.3
161.13232	11.4
162.07603	2.1
163.07497	1.4
163.11148	0.9
163.14813	4.1
165.09091	0.8
167.07014	1.4
169.10097	2.4
170.10844	1.1
171.11668	6.8
173.13237	16.5
175.11142	2.3
175.14807	16.7
175.47745	0.7
177.09146	1.0
177.12794	1.1
177.16371	4.2
180.08647	5.8
183.11696	3.5
184.12320	0.7
185.13242	12.7
186.13640	1.0
187.11127	0.7
187.14793	23.3
188.15054	0.9
189.09071	1.0
189.12733	1.8
189.16350	7.3
191.14291	3.0
193.12051	1.1
193.15858	1.8
195.11720	1.6
195.13771	2.0
197.13232	3.5
199.14798	16.0
201.12744	0.9
201.16350	18.3
203.14297	6.4
203.17926	4.6
205.15785	1.6
209.13290	1.4
210.13959	0.8
211.14790	4.9
212.15494	0.8
213.16324	5.8
215.05254	0.8
215.14322	3.0
215.17932	1.7
217.15855	1.8
219.13792	1.5
219.17371	2.5
221.15340	11.0
223.14795	1.9
225.16359	6.2
226.17250	0.9
227.17955	2.8
229.15833	1.9
229.19414	1.1
231.13730	1.1
231.17389	1.6
233.13078	0.8
233.15318	3.6
235.16873	3.4
237.16417	1.6
239.17932	2.2
241.19473	1.6
245.15288	5.8
247.16876	5.2
249.14719	4.2
251.18115	1.1
253.19492	1.2
259.16855	2.5
267.20993	1.5
269.22446	0.9
279.20944	2.6
280.21909	0.8
281.22479	2.0
293.22565	1.4
299.23709	0.9
315.23221	2.4
325.21558	2.5
351.23166	1.5
357.24258	1.0
367.26389	1.4
375.30441	1.7
393.31464	4.8
395.32980	1.1
403.30093	4.6
405.31339	1.1
411.32544	2.8
421.30966	55.5
422.31464	2.3
423.32697	4.0
431.29529	1.7
439.31998	25.1
440.32526	1.4
441.33618	0.8
449.30554	13.8
450.31006	0.8
457.33069	13.0
467.31503	100.0
468.31900	5.2
485.32553	35.3
486.33063	1.5
503.33609	23.2
504.34286	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	2.6
61.02895	3.4
67.05495	100.0
69.03408	4.2
69.07050	22.8
69.40351	14.1
69.40771	6.6
71.04968	4.4
71.08620	5.5
79.05049	3.8
79.05477	45.5
81.06566	4.3
81.07045	74.0
83.04977	4.6
83.08601	20.7
85.02880	6.6
85.06538	4.6
85.10170	3.3
86.09695	5.5
91.04958	2.5
91.05472	27.5
91.98870	2.0
93.07029	55.7
95.04948	5.8
95.08589	46.2
96.63305	1.9
97.02881	2.4
97.06494	7.7
97.10161	20.0
105.07004	25.4
107.04932	4.6
107.08585	40.3
109.06505	5.1
109.09448	4.3
109.10138	57.2
111.08045	4.8
117.06964	10.5
119.08578	19.9
121.06477	2.1
121.10100	19.5
123.08035	3.5
123.11724	9.9
125.09615	15.7
129.06970	3.7
131.08527	15.3
133.10106	16.8
135.08009	5.5
135.11691	14.9
143.08511	4.2
145.10098	14.8
147.11638	9.9
149.09590	2.7
149.13243	12.4
155.10638	2.0
157.10144	2.9
159.11731	11.1
161.13243	4.3
163.11128	3.9
163.14822	3.5
173.11710	9.9
173.13245	5.6
175.14764	2.5
177.12686	2.0
183.75249	2.1
184.07312	17.7
187.14774	3.4
189.11191	9.0
189.12741	1.9
219.11952	2.0
222.45506	2.1
222.50125	2.0
227.12735	22.8
229.14326	36.8
243.20990	5.1
245.13809	23.6
248.76524	2.5
257.18860	6.1
259.20389	3.1
261.22119	14.6
269.17523	10.9
275.20010	14.4
313.27261	16.6
335.25732	97.8
349.23611	18.5
367.24673	14.0
483.36935	9.7
489.35693	41.8
507.36499	4.1
529.38770	31.7
576.25134	2.1
609.45099	34.7
627.46124	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.348
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	0.7
65.03922	0.8
67.05489	1.1
69.03418	4.5
69.79837	1.6
69.80260	2.7
71.04955	0.9
73.02897	0.9
79.05475	1.6
80.04998	1.6
81.03385	2.0
85.02887	5.7
86.00997	0.7
91.05442	1.6
93.05770	1.4
93.07040	4.0
94.06555	7.4
95.04949	1.4
95.07355	3.7
96.07552	0.7
96.08117	10.1
97.02862	3.0
97.06485	1.2
99.04440	0.7
106.06540	3.8
107.07290	1.9
108.04464	1.1
108.07418	1.0
108.08102	15.3
109.02865	1.3
110.06064	1.0
110.09667	17.7
118.06546	0.8
120.04447	3.5
120.08086	14.1
122.06012	12.9
122.09644	3.6
122.10511	0.5
124.07574	9.6
127.03876	1.5
132.07999	1.2
134.05977	1.8
134.09631	2.8
136.07561	18.9
137.08266	1.3
138.05479	1.7
138.09116	25.8
140.07063	1.3
144.04428	2.3
144.08073	0.9
146.05983	17.6
146.09644	1.1
148.07541	14.5
150.05458	0.9
150.09126	13.0
152.07042	14.2
158.05910	0.8
160.03894	1.4
160.07491	1.7
162.05463	2.0
162.09151	0.8
164.07043	10.0
166.08612	71.1
167.07080	1.2
172.03909	17.4
173.04489	0.8
174.05481	2.3
174.09091	1.1
176.07106	1.8
178.08655	0.8
182.08084	2.6
184.09969	1.1
190.04958	17.6
192.06516	0.9
194.08141	1.0
197.10709	2.5
198.11534	3.7
199.12247	1.2
204.06520	30.6
206.08121	0.8
208.09695	0.7
209.10710	2.2
210.11465	2.4
211.12265	6.3
212.09180	1.0
212.12981	1.1
213.10098	0.7
213.13864	0.9
218.08081	4.3
220.09785	1.2
222.11427	1.4
223.12164	4.4
224.13104	1.6
225.10223	4.4
225.13850	2.0
226.11008	1.7
227.11708	4.9
229.09644	0.9
235.08633	2.2
235.12291	1.9
236.09311	2.2
237.10187	5.4
237.13802	2.9
238.10954	6.3
239.11745	11.2
240.12459	1.5
241.09781	0.8
241.13251	1.4
243.11220	1.4
244.05847	0.8
245.12790	2.5
246.07494	1.7
247.12256	0.9
248.09346	1.9
249.10168	9.9
249.13754	0.6
250.10938	9.2
251.07990	0.7
251.09137	1.1
251.11739	14.2
252.08844	1.0
252.12549	3.5
253.09689	2.8
253.13329	7.3
255.11288	3.3
256.12057	1.5
257.12820	2.6
259.14175	1.2
262.11017	1.2
263.11746	25.3
264.08932	3.2
264.12433	7.5
265.09683	6.9
265.13300	16.3
266.10510	3.4
266.13974	2.2
267.11273	10.2
267.14172	1.1
269.12756	5.0
271.10648	2.0
271.14380	6.1
273.12268	4.6
275.11728	0.9
276.08823	0.9
276.12573	1.1
277.09647	4.1
277.12766	1.2
278.10367	5.8
279.11234	21.3
280.12109	3.1
281.12802	13.1
282.10016	1.6
282.13266	0.9
283.10757	3.7
283.14142	1.5
284.11618	3.2
285.12277	13.1
287.13788	3.4
291.07971	1.6
291.11209	30.5
292.12057	7.2
293.09595	0.9
293.12778	26.5
294.13351	1.0
295.10767	6.6
295.13956	1.2
296.11362	3.2
297.12286	35.9
298.12921	4.0
299.13840	25.1
300.14349	0.7
303.13547	0.9
304.08316	1.2
305.15134	1.2
307.10641	3.7
307.13846	1.0
308.11218	0.9
309.12292	22.0
310.12927	1.9
311.10248	4.0
311.13840	17.1
312.14389	1.3
313.11710	1.7
313.15378	1.8
315.13364	16.3
319.10721	18.3
319.14435	0.9
321.12177	3.1
323.10187	7.4
323.16251	1.6
324.10999	1.2
325.11774	35.1
326.12381	1.3
327.13284	6.9
330.15829	1.3
331.12781	0.8
337.11758	100.0
338.12305	3.5
339.09796	0.9
339.13367	5.8
341.11316	2.1
343.12866	3.9
344.17801	1.0
351.13370	2.2
355.12805	3.5
356.13651	1.5
357.14398	13.7
358.15237	1.4
362.18604	0.9
365.11130	0.8
369.14450	7.5
370.15228	0.9
371.16077	3.8
372.16974	1.3
373.13895	1.7
375.15564	1.2
376.20352	1.0
378.17819	1.0
380.12668	0.7
383.12167	0.7
388.16373	0.9
390.17780	0.8
399.15707	1.2
401.13211	8.4
402.13391	0.8
402.18112	1.3
404.19543	2.3
414.17807	1.1
416.15939	2.0
418.21326	1.3
420.19040	1.9
422.20877	0.9
428.20419	1.0
430.17429	2.1
432.19131	2.6
434.16760	1.2
444.19235	4.1
446.21182	3.9
448.18362	2.1
448.23129	1.1
449.19479	1.6
450.20087	4.0
454.16986	0.9
458.16888	2.7
459.17526	1.1
460.18143	0.7
461.18970	1.2
462.20364	5.3
464.21997	21.5
465.22318	0.8
472.18610	5.6
474.20258	2.0
476.18063	2.8
477.18796	1.8
478.19128	1.3
481.15436	0.8
482.19180	2.1
487.17169	6.1
490.19659	45.7
491.20245	2.5
492.21472	1.2
494.18689	1.1
508.20663	3.4
514.21722	1.8
519.19629	1.2
522.14783	1.5
522.22266	21.0
523.22559	1.4
526.21368	1.0
532.20758	1.0
585.26715	0.8
587.24323	1.4
594.25012	0.8
603.27930	2.6
611.25079	6.3
612.25409	1.3
624.25635	0.9
626.26965	28.7
627.27063	2.0
629.25995	11.7
634.24042	4.2
643.27979	1.2
647.26971	37.6
648.26965	1.9
652.24890	69.8
653.25720	3.8
654.27081	1.0
661.28497	0.8
670.25793	1.5
679.29553	10.2
684.27490	28.0
685.27832	2.7
740.97327	0.7
749.30579	0.9
773.29297	1.0
791.30695	3.6
809.17853	1.0
809.32196	15.1
810.32788	1.2
841.34363	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	841.226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99796	0.4
67.67180	0.3
69.03385	1.1
71.60487	0.3
71.60899	0.5
78.21979	0.3
81.03378	0.5
82.99845	1.2
84.00615	0.4
85.02895	1.5
94.99838	0.6
97.02880	1.6
97.03394	0.4
98.97478	0.3
101.00849	2.2
103.02390	0.9
109.02856	0.7
113.00844	1.0
116.54117	0.3
119.01903	8.9
121.03425	1.2
127.02379	3.0
127.03830	0.8
129.00327	0.4
129.03932	0.5
131.00899	0.4
131.01877	5.8
133.03395	0.6
133.35281	0.4
137.01866	0.8
137.02902	1.6
139.02377	0.6
143.01874	9.6
145.03438	20.1
146.03600	0.4
147.01344	1.5
147.04961	0.6
149.02948	1.5
152.02457	0.4
155.01872	10.7
155.05362	0.3
156.01991	0.5
157.02197	0.6
157.03429	7.7
158.02394	0.6
159.04977	0.4
161.02930	11.8
163.04480	3.5
164.02452	0.4
167.01848	4.1
168.05083	0.7
169.03476	1.7
171.01352	3.8
171.05080	1.5
173.02928	27.6
173.52963	0.6
174.02995	0.9
175.04515	2.9
179.01810	1.6
181.03398	0.9
182.03432	0.4
183.01370	0.6
183.04843	0.3
184.04518	0.6
185.02917	22.5
186.03032	0.5
187.04492	3.1
189.02419	4.8
191.03917	1.0
196.02985	0.6
196.04503	1.0
197.02924	8.2
197.04735	0.4
198.98511	0.3
199.00865	1.9
199.04453	1.4
201.02377	1.5
203.03967	8.4
204.04099	0.3
205.05647	0.4
208.04471	1.2
209.02951	1.9
211.00801	0.3
211.04553	0.5
212.04352	0.4
213.02362	0.4
215.03995	5.2
217.01900	28.0
217.05312	0.7
218.02092	1.5
221.03052	0.6
221.05002	3.3
224.04424	0.5
225.02415	0.4
226.05579	0.4
227.04004	5.0
229.01906	6.5
229.05437	0.7
233.05013	0.4
235.02942	12.9
236.03079	0.5
236.51285	0.3
239.03889	0.7
240.03448	0.5
241.01958	0.6
245.05031	48.4
246.05243	2.1
247.02885	3.4
247.06670	1.0
253.04044	1.4
257.05020	7.3
258.04633	1.8
259.02884	0.8
259.06726	0.3
263.06085	7.8
264.06287	0.3
265.04044	0.8
271.02988	0.4
273.04593	0.4
275.06046	3.9
277.04031	3.8
283.02945	0.5
284.06647	0.8
286.07675	0.9
293.07053	2.0
301.04053	3.9
305.07162	3.0
307.08572	1.2
319.05032	8.4
328.57324	0.4
335.08179	0.7
337.06070	11.5
338.06134	0.7
351.11380	0.4
354.10654	0.4
365.09247	8.1
365.59299	0.6
366.09497	0.5
383.10168	0.4
406.22272	0.3
425.11407	3.5
481.10138	0.5
485.13699	0.7
499.11343	100.0
500.11588	5.4
515.09143	0.4
573.09546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	0.1
62.28078	0.1
63.02372	0.1
63.72554	0.1
65.03925	1.1
65.58598	0.1
67.05494	0.7
69.03408	0.2
69.07052	0.2
70.06568	0.1
71.04988	0.1
71.62470	0.1
73.02894	0.1
73.83849	0.1
79.05479	0.4
81.03403	0.6
81.07047	0.6
83.04964	0.1
83.08612	0.1
85.02887	0.2
85.06524	0.1
89.03891	0.1
91.05466	10.7
92.05792	0.2
93.07032	0.4
95.04953	0.3
95.08588	0.2
96.06370	0.1
97.02876	0.2
97.06508	0.1
97.10131	0.2
99.04472	0.1
105.07030	0.3
107.04951	0.2
107.08585	0.3
109.02847	0.4
109.06491	0.1
109.10116	0.4
111.04445	0.1
111.08125	0.1
117.07001	0.1
119.04921	24.3
119.08554	0.2
120.05202	0.3
121.10140	0.2
123.11710	0.1
123.59854	0.1
125.09574	0.1
127.03872	0.4
131.08549	0.2
132.60965	0.1
133.10112	0.1
135.04428	0.2
135.11705	0.1
137.09599	0.1
145.02902	0.1
145.10101	0.1
147.04384	100.0
148.04721	1.4
148.05893	0.1
149.09560	0.1
153.01796	0.1
159.11755	0.1
163.03882	0.7
163.11212	0.1
165.05559	0.1
165.06918	0.1
169.04932	0.1
173.11711	0.1
183.08044	0.1
209.11644	0.1
211.07571	0.1
211.13289	0.1
227.12605	0.1
229.04950	0.1
229.14316	0.2
239.62024	0.1
255.06361	0.2
257.04413	0.1
267.15979	0.1
269.17438	0.1
273.04044	0.1
273.07523	0.2
287.05728	0.1
301.16245	0.2
303.04929	1.6
327.04968	0.1
393.11838	0.1
421.08942	0.1
461.94742	0.1
463.30362	0.4
464.31540	0.1
465.07935	0.1
527.28326	0.1
539.14990	0.4
575.11603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02356	0.1
65.03920	1.1
67.05498	0.4
69.07068	0.1
70.06567	0.1
71.62473	0.1
73.14104	0.1
79.05470	0.2
81.03403	0.3
81.07044	0.4
83.08598	0.1
85.02901	0.1
85.27911	0.1
91.05465	9.6
92.05798	0.1
93.07030	0.3
95.04968	0.1
95.08576	0.2
97.02866	0.1
104.28484	0.1
105.07021	0.2
107.04959	0.1
107.08544	0.2
109.02862	0.2
109.06549	0.1
109.10127	0.2
117.03493	0.1
117.06976	0.1
119.04921	22.9
120.05252	0.3
121.02914	0.1
121.10121	0.1
127.03855	0.3
131.08597	0.1
135.04323	0.1
135.11697	0.1
145.10124	0.1
147.04384	100.0
148.04720	0.8
149.13348	0.1
163.03889	0.7
163.11185	0.1
169.04868	0.1
173.11852	0.1
193.12379	0.1
201.05531	0.1
215.94118	0.1
229.14349	0.1
255.06389	0.1
269.17477	0.1
273.07370	0.1
287.05557	0.1
303.04974	1.0
463.30273	0.1
464.31793	0.1
481.31161	0.1
539.15302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	6.3
65.03915	7.2
67.05492	88.0
69.03412	9.1
69.07060	41.2
69.61405	3.0
71.04957	10.7
73.02903	4.0
75.96660	3.5
79.05058	5.2
79.05482	77.1
79.88944	3.1
81.03379	9.9
81.06567	5.9
81.07043	100.0
83.04969	11.9
83.08619	24.2
85.02867	10.6
85.06539	3.7
88.25191	3.3
91.05462	83.4
93.07029	91.2
95.04954	17.0
95.08585	64.4
97.02853	10.5
97.06503	10.1
97.10164	11.8
99.04389	4.0
105.07018	89.5
107.04913	3.9
107.08567	52.8
109.06482	7.4
109.10116	29.3
111.08065	8.5
113.09632	5.5
115.05416	7.0
115.96946	3.2
116.46929	3.5
117.06995	39.2
119.08552	68.5
121.10118	38.8
123.08039	7.0
123.11697	10.7
124.99974	3.4
125.09607	6.7
127.03908	3.7
128.06206	6.2
129.06970	23.3
131.08551	51.9
132.09023	3.1
133.10104	48.1
135.07991	7.5
135.11681	25.6
139.11232	4.4
141.06958	6.8
142.07756	5.2
143.08540	26.3
145.10110	42.1
147.07944	4.7
147.11659	30.2
149.09561	7.2
149.13254	18.7
151.11194	4.6
152.21980	3.7
155.08525	11.7
157.10107	31.3
159.11674	42.6
161.13235	16.1
163.11240	3.7
167.08617	4.6
169.10034	18.6
171.11665	25.2
173.09555	3.5
173.11824	5.9
173.13153	19.3
175.14777	4.5
179.08537	3.8
181.10139	11.4
183.11620	16.4
184.07327	12.7
185.13222	13.4
187.14716	5.8
189.16457	3.7
195.11671	7.2
197.13226	12.3
199.14717	8.7
201.16270	6.7
209.13211	7.3
211.14882	7.2
213.16360	5.8
223.14798	5.9
227.12617	4.6
229.14333	5.2
237.16461	5.2
239.17995	6.8
241.19554	16.9
243.21039	4.9
251.18016	4.5
257.18994	11.3
259.20544	31.3
261.22107	4.2
269.17285	8.3
273.18451	4.7
275.20096	9.2
299.23621	4.5
315.23236	4.7
315.38443	3.2
333.24088	21.8
335.25922	6.6
417.30957	3.8
418.31201	3.8
435.32587	5.1
453.33450	6.1
472.45868	3.5
513.35638	7.4
515.37646	5.2
517.40381	4.5
527.37347	25.3
545.37762	6.7
607.43323	9.7
609.45032	60.2
610.45886	8.3
625.44299	16.2
739.88672	3.9
841.46118	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	840.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.2
65.03936	5.9
67.05497	90.4
69.03413	7.6
69.07061	40.8
70.49083	2.1
71.04982	8.4
71.62601	2.5
73.02882	2.6
79.05481	72.8
81.03415	14.8
81.07049	100.0
83.04983	12.1
83.08614	16.7
85.02892	8.0
85.06540	5.7
86.09707	6.3
91.03949	2.0
91.04887	2.7
91.05472	77.1
93.07033	80.7
95.04949	14.5
95.08599	53.8
97.02869	6.1
97.06516	14.3
97.10163	9.1
99.04474	2.4
99.08075	4.1
103.05466	1.9
105.04487	2.3
105.07021	73.3
107.04965	10.3
107.08583	51.3
109.02794	2.9
109.06494	7.2
109.10141	23.1
111.08057	6.2
115.05423	4.3
117.07003	31.0
118.07789	2.2
119.08568	61.0
121.06500	5.8
121.10117	31.5
123.08049	2.7
123.11697	8.5
124.99999	3.0
125.09613	6.1
127.03900	4.5
128.06219	2.8
129.06973	18.6
131.08543	43.8
133.06439	2.7
133.09106	2.9
133.10114	47.3
135.08026	5.9
135.11659	26.0
137.09599	5.0
137.13251	4.1
141.06978	5.2
142.07770	3.5
143.08545	22.2
145.10103	39.0
147.11676	33.8
148.12064	2.9
149.09589	8.4
149.13237	10.6
151.11197	4.5
155.08508	12.8
157.10094	18.9
159.08089	2.4
159.11700	30.4
161.09613	3.2
161.13234	20.0
163.11177	8.4
163.14830	2.5
165.12706	2.4
167.08586	3.6
169.10106	12.9
171.11658	21.2
172.12164	1.9
173.04492	2.6
173.13234	15.9
175.11186	2.5
175.14833	6.8
177.12744	4.2
179.14186	2.5
181.10110	6.3
183.11656	11.3
184.07324	13.8
185.13222	13.9
187.14809	5.6
189.12769	2.7
195.11716	7.1
195.13731	2.8
197.09586	1.9
197.13251	7.3
199.14789	9.9
201.16386	2.1
201.53107	2.3
203.14392	2.4
205.15878	1.9
207.11719	4.2
209.13275	6.8
211.14810	4.9
213.16467	3.0
217.15895	2.4
223.14822	3.3
227.12633	3.0
235.14816	2.9
239.17944	2.3
241.19562	17.9
247.20496	2.9
253.14455	4.4
255.15889	12.7
257.19006	7.7
259.20547	45.0
261.22171	3.6
267.15823	4.2
269.17426	16.5
273.18677	2.1
275.20026	19.0
277.21539	2.5
281.19064	1.8
285.22089	2.2
289.21716	2.6
297.22388	2.2
299.20044	2.3
313.21490	2.5
315.23087	6.2
325.21478	2.8
331.22626	2.7
333.24207	45.2
335.25821	3.9
349.23688	13.9
351.25394	2.7
367.24802	3.4
385.23837	2.6
421.30746	3.8
423.32382	2.2
429.29956	1.9
435.32565	8.5
453.33426	5.4
471.34619	3.5
487.34369	2.5
489.35416	2.7
497.36258	2.2
509.36145	5.2
513.35657	26.5
515.38007	9.9
527.37347	49.6
528.37244	3.1
531.36664	5.9
533.39862	5.0
543.35925	3.2
545.38013	7.7
551.40875	2.7
559.57843	2.3
559.66504	2.5
607.43634	33.1
625.44489	34.8
635.39740	3.4
689.42236	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	4.9
65.03916	7.3
67.05492	100.0
67.09381	2.7
69.03413	10.6
69.06713	3.9
69.07054	55.3
70.87317	3.1
70.87644	5.1
71.04980	5.2
76.26326	2.6
76.34967	2.8
79.05473	50.0
81.03403	6.4
81.07040	85.2
82.01243	2.6
83.04945	7.0
83.08594	12.7
85.02895	5.2
85.06517	3.5
91.05461	53.5
93.06463	5.4
93.07027	70.1
95.04948	14.3
95.08588	68.8
95.84440	2.4
96.43800	2.3
97.02840	4.7
97.06532	16.4
97.10145	8.8
99.08013	2.7
103.13358	2.6
105.07008	41.3
106.03112	2.4
107.04910	6.7
107.08569	42.8
109.06481	4.1
109.10135	36.1
111.08055	5.6
112.08229	2.5
117.06985	14.8
119.08559	38.7
121.10108	25.6
123.08051	4.6
123.11707	6.7
125.09605	6.5
128.36311	2.6
129.06996	3.7
131.08554	17.4
133.10100	24.0
135.11693	14.0
137.09581	13.3
139.07405	2.6
143.08487	4.1
145.10098	18.6
147.04466	3.6
147.11668	15.0
149.09639	18.8
149.13194	6.0
151.11168	2.8
155.08545	3.7
157.10068	5.1
159.11665	12.7
161.13254	8.9
163.11153	9.0
163.14847	2.8
171.11604	4.0
173.11766	4.5
173.13188	9.2
175.14738	4.5
179.14264	3.7
183.11696	3.2
184.07285	3.3
187.14844	3.5
197.13213	3.9
203.14357	3.2
211.14954	3.4
213.16228	3.6
223.13321	2.7
227.12669	4.7
229.14206	7.1
239.17934	3.1
257.18982	7.9
259.20496	6.5
261.22064	6.3
273.18607	4.2
275.20038	32.6
291.19528	5.5
293.20956	6.0
335.25726	72.3
337.27203	4.5
349.23679	45.3
351.25000	3.8
365.23306	3.5
431.31424	7.6
489.35797	32.7
513.39276	8.8
515.36877	7.0
609.44910	53.4
610.44977	3.6
627.45990	13.5
773.83954	3.0
841.44550	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	839.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07797	1.1
65.24521	1.3
67.05460	1.9
67.21607	1.3
69.03416	4.6
69.46992	11.4
73.02923	1.8
79.05482	1.7
80.05071	1.2
81.03413	12.3
81.69135	1.1
85.02892	4.6
93.44556	1.1
94.06557	4.2
94.54021	1.0
97.02856	7.3
98.21525	2.1
99.04450	1.9
108.04465	7.2
108.08099	12.5
109.02878	12.3
110.06034	2.3
110.09673	1.9
110.40785	1.2
117.69690	1.4
118.06531	1.4
120.08099	4.1
122.06030	5.7
124.07574	6.7
125.02292	1.6
127.03910	3.2
134.05992	1.8
136.07558	40.8
138.09082	2.3
140.07050	1.5
142.08603	2.7
145.07642	1.2
146.05997	6.3
148.07552	5.1
150.05533	2.0
152.07054	2.2
154.08601	2.3
160.03894	1.3
162.05507	2.2
164.07031	11.9
166.05023	1.5
166.08597	3.7
167.06856	1.3
168.06541	4.1
172.03922	10.4
173.10703	1.8
174.05486	5.4
176.07066	1.8
181.08867	1.5
183.09175	1.5
188.06932	1.7
190.04913	3.8
192.06624	1.5
196.09813	2.2
197.10632	2.4
199.06171	1.8
199.08678	3.9
199.12238	1.8
200.09203	1.5
201.10178	4.3
204.06519	21.3
206.08244	4.7
211.08585	26.6
211.12256	4.8
212.09280	6.6
213.10201	17.9
214.10922	1.5
215.08064	1.7
215.11884	1.5
221.10722	4.0
222.09087	3.8
223.08604	4.1
223.12231	2.2
224.09113	2.5
224.10921	2.7
225.10175	26.4
226.08946	1.6
226.10851	7.7
227.08165	9.4
227.11688	10.5
228.12425	1.4
229.09792	4.1
237.10109	5.0
238.10953	3.2
239.08153	5.7
239.11742	29.9
240.08752	6.8
240.12502	2.7
241.09671	17.2
241.13301	10.6
242.10527	3.6
243.11340	6.9
245.12743	1.5
249.10175	3.6
250.08568	2.9
251.08026	5.7
251.11792	4.8
252.08717	3.3
252.10077	2.0
253.05930	1.7
253.06819	2.0
253.09642	27.1
253.13391	2.8
254.10349	6.7
255.11243	15.0
256.12006	3.7
257.12860	8.5
259.14487	6.7
265.09689	3.9
266.10388	2.7
267.08157	1.6
267.11249	46.7
268.08655	1.8
268.11942	3.9
269.09238	7.2
269.12805	24.3
271.10727	4.5
271.14047	1.7
272.11282	2.6
273.12314	6.0
274.13116	1.6
277.09622	2.2
279.11279	3.7
280.08578	2.2
281.09219	11.5
281.12784	4.1
282.10043	3.0
283.07980	1.8
283.10727	9.8
284.11447	3.6
285.12262	20.0
286.12579	2.0
287.10281	3.5
287.13843	12.5
291.11124	2.4
293.09164	3.9
295.10727	34.2
296.11340	2.3
297.12271	19.3
299.10611	1.4
299.13718	5.9
301.11795	5.8
303.13419	12.4
305.09430	1.5
305.15030	5.7
307.10733	3.4
309.12378	2.0
311.10086	3.6
312.11151	1.3
313.11749	45.5
314.12186	2.3
315.13351	12.1
323.10196	17.9
325.11725	8.1
327.13272	4.4
329.14911	1.7
332.14560	1.4
339.09830	1.9
341.11319	18.9
342.11963	3.5
343.12851	10.5
344.13760	1.5
355.12833	14.0
357.14374	13.5
358.15060	1.7
359.12665	1.7
367.12933	1.8
369.14050	1.5
371.12381	4.2
372.13428	2.5
373.13876	28.6
374.14352	2.1
379.60364	1.3
383.12390	3.7
385.14063	5.1
386.15207	2.3
387.15509	2.3
397.13864	2.1
405.14487	1.8
409.14230	1.5
411.15402	2.8
414.14435	2.0
415.14978	8.9
418.17795	1.4
421.13889	4.2
423.15280	3.6
427.15167	1.8
429.16498	2.2
432.15353	3.2
439.14914	13.2
441.16229	6.0
445.15857	2.6
449.13272	7.0
451.14722	3.3
456.15186	2.0
457.15994	24.1
459.17529	4.1
462.16742	2.1
467.14450	17.9
469.15918	8.1
474.16656	6.4
481.15845	9.8
483.17557	5.5
485.15427	33.6
487.17136	11.7
499.17059	23.6
501.18561	10.1
503.16342	1.4
505.18146	2.9
506.18961	4.3
517.18109	100.0
518.18335	3.3
519.19696	10.1
535.19006	3.3
601.26233	2.2
609.23492	1.9
627.24432	24.5
641.25702	1.7
645.25323	3.6
652.24335	1.9
659.26935	16.6
668.23596	1.6
677.27673	3.2
707.27264	2.6
725.28223	2.1
735.25934	5.5
743.29517	1.8
745.30609	14.4
753.27954	10.6
761.29456	2.6
763.31195	2.5
767.29004	1.7
771.28497	9.5
785.30408	8.6
789.29620	46.1
790.30249	2.0
803.31586	8.5
807.29907	2.9
821.32184	13.5
839.33215	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94143	0.4
61.02916	0.5
65.03938	0.7
69.03413	2.5
71.04981	0.7
71.61945	0.4
71.62318	0.5
73.02898	0.6
79.05470	1.6
80.05013	0.9
81.03401	1.4
81.07027	0.6
82.06565	0.8
82.73602	0.3
85.02892	3.3
87.04453	0.6
89.03937	0.5
91.05471	1.2
91.55891	0.3
93.05750	0.5
93.07031	2.0
94.06553	5.5
95.04966	0.8
95.07352	1.9
95.08632	0.3
96.07542	0.5
96.08122	6.2
97.02866	1.6
97.06530	0.5
99.04464	0.5
99.60020	0.3
103.05441	0.6
106.06561	0.9
107.07314	0.9
108.04474	2.2
108.08102	10.2
109.02854	1.2
110.06031	0.8
110.09662	9.0
116.04970	1.7
118.06492	0.8
120.04472	2.8
120.08089	7.8
121.06506	0.4
122.06026	5.5
122.09656	1.2
124.07572	6.8
127.03905	0.9
132.04388	0.5
132.08061	0.7
134.05998	2.9
136.07558	10.6
137.05952	0.8
138.05507	0.4
138.09116	11.9
144.04391	3.3
146.05998	6.1
148.07545	4.4
150.09111	1.6
152.07031	2.5
153.01790	0.7
158.09589	0.5
160.03926	3.2
160.07539	0.8
162.05519	3.1
163.06294	0.5
163.07556	0.6
164.07014	1.7
166.08621	17.2
167.07071	0.6
167.08975	0.4
170.09540	0.6
172.03906	21.5
173.04282	0.6
174.05501	2.8
174.09224	0.4
176.07033	4.8
178.05023	0.7
181.04889	0.5
182.09538	0.4
184.09990	0.6
185.10754	1.0
186.05511	0.7
186.09120	0.4
187.12329	0.5
188.07045	0.7
190.04958	20.3
191.05307	0.5
192.06549	0.5
196.07573	0.4
197.07050	0.6
197.10744	1.1
198.07716	0.6
198.09325	0.5
199.08670	1.3
199.12340	0.7
200.09372	0.4
204.06529	39.7
205.06905	0.6
207.09297	0.7
209.10713	0.7
210.09271	0.4
211.08710	1.0
211.12234	0.7
212.09457	1.1
213.10185	3.8
214.08684	0.4
214.10724	0.4
215.11758	2.4
221.10637	0.4
223.08720	1.2
223.12418	0.7
224.09427	0.7
225.10114	2.4
226.08626	1.6
226.11078	1.1
227.08206	0.6
227.11728	2.8
228.12297	0.4
229.09773	0.4
229.13353	1.0
235.08545	0.7
236.09491	1.5
237.10141	2.9
238.10872	1.7
239.08252	0.5
239.11804	1.6
241.09695	3.5
241.13396	0.6
243.11249	11.7
245.12868	1.0
249.10231	2.3
250.10999	0.9
251.08217	0.7
251.11736	2.7
252.08813	0.7
253.09698	2.3
253.13354	0.6
254.10524	1.0
255.11261	3.7
256.11957	0.8
257.09161	0.8
257.12866	1.3
259.10873	1.2
261.10281	0.6
262.08633	0.5
262.11111	0.5
263.08234	1.1
263.11758	0.8
264.08929	2.8
265.09683	2.6
266.10526	0.7
266.94360	0.4
267.11127	2.1
269.09244	3.1
269.12811	1.5
270.10092	0.7
271.10730	3.1
271.13675	0.4
272.11435	0.4
273.12347	4.4
274.13126	0.4
275.14136	0.5
277.09628	2.2
278.10568	0.6
279.11246	4.1
280.11893	0.8
281.09219	1.2
281.12811	1.3
282.10034	0.6
283.10712	4.9
283.13565	0.6
284.11472	1.0
285.12289	20.0
286.13126	0.6
287.10178	6.5
288.15027	0.4
289.13083	0.4
293.09216	0.7
294.09882	0.6
295.10773	1.5
296.11517	0.8
297.12299	7.8
299.10269	1.4
299.13937	2.7
300.11316	0.7
300.14874	0.7
301.11841	3.1
302.12900	1.6
302.16483	0.4
303.13361	21.6
304.14197	1.0
305.09015	0.6
307.10693	2.5
309.12326	1.5
311.10294	1.4
311.13708	0.4
312.11252	0.5
312.14862	0.7
313.11865	2.1
313.15408	0.6
314.12930	0.6
314.16434	0.7
315.13791	0.8
316.10806	1.5
316.14609	0.9
317.15228	0.6
318.16080	1.2
321.14474	1.0
323.10226	5.4
325.11801	20.5
326.12738	1.1
327.13794	2.3
328.10953	0.6
328.14444	1.5
329.11502	1.3
329.15164	0.7
330.12387	1.4
330.15939	0.8
331.13309	1.1
332.13950	0.6
333.15448	0.4
334.09158	0.7
334.15555	0.4
335.09988	0.5
337.11807	1.2
339.13675	0.9
340.14484	0.9
341.11902	1.1
342.12521	1.0
342.16315	0.8
343.12872	5.8
343.16580	0.4
344.13943	2.6
345.14798	0.9
346.15359	1.8
347.16373	1.0
352.14694	0.4
353.11383	0.6
354.12335	1.0
354.16269	0.7
355.13193	1.2
356.13986	1.2
357.14441	25.1
358.11838	0.8
358.15558	4.3
359.12717	0.6
359.16733	0.7
360.13220	0.5
360.17096	1.2
367.13297	0.5
368.13898	1.5
369.14828	0.6
370.11911	1.5
370.15909	0.8
371.12372	2.7
372.13290	3.9
373.14069	2.5
374.14865	2.9
374.18814	0.5
376.16422	0.9
381.10699	0.9
382.15500	1.1
383.12292	0.7
384.13211	0.9
384.17480	0.8
385.14099	2.6
386.14981	8.7
386.19525	0.6
387.15976	3.7
388.12500	0.7
388.16656	1.1
389.13428	0.7
392.15906	0.8
394.17612	1.2
396.13409	1.4
398.14944	0.8
399.15851	0.6
400.12375	0.7
400.16745	1.4
401.13736	1.6
402.13937	3.0
402.18774	1.0
403.15451	1.2
404.16043	3.6
406.17532	3.3
410.15207	1.1
412.16693	1.1
413.14294	0.7
414.14432	12.0
415.15231	18.0
416.15872	3.3
418.17572	2.9
420.15518	4.2
426.14105	0.7
427.15009	0.4
428.16110	3.2
430.17694	3.8
431.15082	0.6
432.15454	12.9
433.16080	1.1
434.17020	0.9
438.14761	2.3
444.15417	5.7
446.16998	5.0
447.17343	0.4
456.15421	10.3
456.21707	0.6
457.15515	0.7
462.16550	7.7
462.22769	0.7
469.15955	1.0
470.17279	0.7
474.16547	23.7
475.17126	1.1
476.18124	1.2
487.17023	11.0
488.18057	1.2
489.19022	0.5
492.17621	0.4
494.19135	3.0
495.15857	0.5
505.17993	0.6
506.19165	10.4
519.19824	1.3
539.23065	0.7
555.26105	0.4
557.24048	1.1
563.23517	0.4
565.24091	0.5
567.22192	1.0
581.23816	1.5
583.25403	1.0
585.23590	3.6
591.22571	0.8
599.24811	1.2
609.23260	6.1
611.25470	0.4
627.24414	100.0
628.24670	4.4
638.24438	0.4
641.25830	2.9
645.25439	1.3
659.27032	27.1
660.27216	0.6
753.27338	1.3
761.30328	0.7
771.28381	2.1
789.29681	24.3
790.30017	0.7
803.29785	0.6
807.31573	0.7
821.32196	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	4.4
66.75941	2.5
67.05493	66.3
69.03415	11.8
69.07064	38.5
69.26682	2.8
69.27034	3.8
69.27616	6.3
69.28033	26.6
71.05001	3.3
79.05054	4.4
79.05484	61.0
81.03419	13.1
81.03853	2.4
81.07046	59.6
83.04964	8.1
83.08600	19.4
85.02879	3.9
85.10155	2.7
86.09690	4.6
87.04459	6.4
89.32850	2.9
91.05468	65.6
93.07033	70.7
95.04939	10.6
95.08591	38.6
97.02870	12.2
97.06518	7.9
97.10177	24.8
105.06375	4.3
105.07020	58.6
107.04933	10.9
107.08570	36.3
109.02847	3.6
109.06496	5.0
109.10125	21.3
111.08012	4.0
115.05412	4.1
117.07001	22.0
119.07791	4.0
119.08575	56.0
121.06481	5.4
121.10136	21.6
122.10493	2.6
123.08028	5.3
123.11718	7.3
125.09595	17.4
129.06978	15.3
131.08553	30.0
133.06505	4.9
133.10117	38.6
135.08018	11.0
135.11700	15.7
136.06129	3.4
137.09569	5.1
141.06949	6.1
141.35953	2.7
142.07796	2.8
143.08548	12.5
145.10085	27.2
147.08006	7.8
147.11684	27.7
149.09602	8.1
149.13220	11.4
151.11171	3.0
155.08556	6.4
157.10135	11.5
159.11667	18.4
161.13248	19.0
163.11116	4.7
165.12706	2.7
165.14574	2.7
167.08784	3.1
169.10161	7.0
171.11734	13.5
173.13228	9.2
175.11147	4.8
175.14778	7.6
181.10051	2.8
181.47473	2.8
184.07341	13.8
185.13268	7.6
187.14845	4.4
189.11177	7.1
190.13550	2.7
193.12262	3.6
197.13333	5.1
199.14774	8.1
203.14253	2.9
209.13318	3.0
223.13185	19.3
227.12724	15.2
241.19455	14.9
257.18967	6.4
259.20563	37.0
262.00723	2.6
269.17517	4.9
273.18542	13.8
275.20032	23.2
291.19501	100.0
292.19730	3.7
299.23663	3.7
315.23111	9.7
333.24188	49.0
334.24313	3.2
335.25778	3.7
349.23859	13.4
365.23236	46.1
379.30124	4.1
525.35498	5.8
529.34930	5.9
543.36670	27.5
605.41815	10.1
623.33575	3.8
623.42987	61.3
624.43384	5.7
641.43524	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	838.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19805	1.0
62.25926	1.2
65.03926	3.2
67.05499	55.2
69.03417	4.0
69.07059	39.2
69.65977	1.0
69.92241	2.7
69.92654	3.8
71.01354	1.4
71.04986	5.4
73.06590	1.1
77.03900	1.2
79.05483	48.4
81.03411	11.6
81.07046	77.5
83.04969	11.2
83.08606	14.6
85.02878	3.4
85.06521	3.4
87.04433	2.9
91.05469	65.6
92.34429	1.0
93.07034	48.5
95.01308	10.1
95.04954	14.0
95.08595	35.5
95.49761	1.1
97.02866	1.4
97.06513	34.1
97.10146	5.1
97.27785	1.1
98.20824	2.3
99.08078	2.0
103.05425	1.5
105.04495	1.5
105.07017	81.4
107.04946	18.5
107.08578	31.1
109.02859	1.3
109.06485	5.8
109.10143	12.5
111.08071	4.3
111.11663	1.2
113.09657	1.7
115.05430	1.7
117.06996	17.7
119.08567	46.1
121.06498	5.6
121.10127	15.5
123.04390	2.1
123.08062	5.3
123.11702	2.7
125.09605	5.0
129.06996	4.7
130.07800	2.5
131.08549	28.1
133.10114	49.8
135.08034	4.6
135.11673	14.1
137.09583	3.1
139.07562	1.2
141.06871	1.2
143.08543	6.6
145.06459	2.7
145.10115	25.1
147.08015	2.5
147.11673	21.9
149.09622	12.5
149.13249	9.2
151.11174	3.7
155.08556	3.2
157.10147	5.2
159.11674	15.6
161.09589	1.6
161.13254	7.2
163.11148	8.6
165.09061	1.8
165.12718	2.0
169.10162	4.9
171.11623	5.3
173.13223	7.2
175.14923	1.4
177.12723	5.0
179.14301	11.4
183.11639	3.8
184.07309	2.5
185.13271	1.7
187.11165	3.1
187.14738	1.6
189.12700	2.1
191.14250	1.3
195.13805	3.0
197.13225	3.0
201.12692	1.6
205.12183	1.3
215.17932	1.6
227.12808	5.6
229.14264	1.5
229.19594	1.9
233.15254	1.3
239.17946	2.8
247.20540	3.2
251.16393	1.8
255.15862	6.3
257.18961	11.8
267.15933	1.7
269.17441	16.6
275.20020	100.0
276.20471	2.1
279.15860	2.6
293.21121	5.7
331.22610	4.5
349.23691	63.3
350.23965	1.6
367.24866	3.7
413.21539	3.3
503.33252	2.0
525.35797	2.0
527.37054	1.7
529.35138	28.5
530.35760	1.6
543.36761	97.6
544.37146	6.1
583.39484	2.1
595.43652	1.3
605.41656	2.0
623.42926	55.5
624.43018	2.5
641.44189	8.5
645.35815	1.5
663.37140	1.6
673.39587	1.2
687.40601	3.7
816.10767	1.4
838.53729	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.8
67.05491	38.8
68.61571	1.2
69.03403	3.6
69.07054	27.1
71.04974	3.0
71.63194	2.1
71.99049	1.2
76.76450	1.1
77.03892	1.7
79.05476	32.3
80.50288	1.1
81.03409	12.0
81.07043	53.7
83.04964	8.0
83.08604	8.2
85.02881	1.6
85.06517	3.6
86.09665	1.9
87.04443	4.1
89.22455	1.0
91.05466	40.9
93.06466	1.9
93.07032	36.8
95.01314	4.8
95.04933	10.0
95.08589	26.7
97.02847	1.7
97.06513	24.3
97.10139	3.7
97.13306	1.1
103.05442	1.9
105.07014	59.7
107.04934	14.3
107.08572	19.7
109.06480	4.3
109.10111	8.3
111.08050	2.8
113.09636	1.7
115.05473	1.2
117.06992	13.6
119.08560	28.9
121.06474	3.4
121.10123	10.5
123.04385	1.8
123.08085	3.2
123.11652	2.8
125.09579	3.2
129.06963	3.9
130.07732	1.3
131.08540	17.7
133.10112	32.0
135.08012	3.0
135.11664	10.2
137.09583	2.7
137.17287	1.1
139.07481	1.3
143.08519	3.2
145.06465	2.4
145.10101	14.6
147.11650	12.2
149.09593	7.8
149.13223	6.7
151.11116	2.9
155.08542	1.9
157.10124	3.7
157.45523	1.4
159.11652	8.8
161.09514	1.7
161.13248	4.6
163.11159	5.3
171.11664	3.5
173.04359	1.4
173.13232	2.7
175.11157	1.6
175.62830	1.3
177.12656	3.4
179.14302	10.0
183.11623	2.4
184.07274	4.3
185.13113	1.4
187.11098	1.7
189.12776	1.9
193.12129	1.2
195.13760	2.5
210.41972	1.3
227.12691	1.3
229.19400	2.0
238.44954	1.2
239.17960	2.0
247.20526	2.2
251.16341	2.2
255.15916	4.3
257.18951	7.4
267.15839	1.5
269.17407	20.0
275.20029	59.8
276.20343	1.8
291.19553	1.3
293.20938	3.8
331.22531	1.9
333.24341	1.2
344.37466	1.1
349.23657	37.3
350.23877	1.7
351.89951	1.3
365.22775	1.6
367.24741	4.0
529.35217	20.2
543.36737	100.0
544.36987	3.9
623.42859	25.6
641.44019	8.0
687.40369	3.2
858.45575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96174	0.3
61.02917	7.0
65.03905	1.4
67.05492	30.8
68.05802	0.4
69.03420	3.2
69.07055	10.4
71.01321	0.4
71.04980	4.1
73.02893	2.2
79.05479	22.6
80.05766	0.4
81.03405	35.1
81.07043	42.5
82.03733	0.5
82.07338	0.9
83.04969	9.3
83.08606	18.2
85.02891	18.3
85.06520	3.0
86.05230	0.4
87.04456	0.4
91.03944	5.5
91.05464	20.4
92.05746	0.6
93.07027	30.3
94.07313	0.6
95.04955	15.4
95.08590	11.2
97.02878	5.7
97.06003	0.5
97.06516	6.1
97.10150	3.2
98.21541	0.5
99.04430	0.4
99.08082	2.2
101.05994	0.4
105.07012	12.4
107.04938	3.2
107.08576	16.6
109.02827	0.5
109.06504	3.2
109.10159	1.9
111.04413	1.6
111.08062	9.6
113.05939	1.4
113.09615	0.8
113.96835	0.4
115.05408	1.0
117.06997	3.9
119.04868	0.6
119.08557	11.9
121.06451	1.4
121.10120	12.6
123.08025	1.8
123.11667	2.3
125.09576	1.1
127.03873	2.4
129.06987	6.7
131.07564	0.6
131.08540	9.4
133.06461	1.7
133.10103	10.4
135.08005	0.6
135.11655	3.9
137.09538	1.2
139.11153	0.9
142.07748	1.4
145.04922	2.2
145.10074	1.1
147.08066	2.0
147.11661	8.1
149.09607	3.8
149.13225	15.8
151.11153	0.6
157.10094	7.8
159.11650	6.0
163.06001	2.1
163.11142	0.8
165.12790	1.8
167.14368	0.5
175.09714	0.7
175.11151	8.4
177.12683	2.8
193.12212	25.9
194.12534	0.5
195.13783	5.4
211.13260	32.8
212.13521	1.1
213.14818	0.4
227.12787	0.6
229.43608	0.4
240.24728	0.4
249.14780	1.0
264.73343	0.4
267.15866	29.3
268.16055	0.9
269.17429	59.5
270.17834	2.4
285.16904	27.4
286.17191	0.7
299.23853	0.4
381.49796	0.4
435.27374	2.6
443.28009	0.7
461.28909	79.5
462.29187	4.7
479.29959	100.0
480.30313	6.4
623.34003	3.0
693.01392	0.5
872.65436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	0.7
59.08809	0.3
61.02918	4.9
65.03929	0.5
67.05495	22.1
69.03426	1.4
69.07059	9.1
69.57880	2.8
71.04985	2.4
73.02901	1.3
74.42115	0.4
79.05481	12.3
81.03405	4.1
81.07046	44.7
83.04974	4.7
83.08607	7.7
85.02887	6.0
85.06525	2.9
91.03955	3.5
91.05470	11.2
93.07034	18.8
94.07358	0.5
95.04938	2.6
95.08595	10.1
97.02878	2.8
97.06522	5.6
97.10168	1.2
99.04433	0.8
99.08110	2.2
101.05986	0.5
105.04614	0.3
105.07016	11.5
107.04939	0.9
107.08579	12.0
107.09281	0.7
108.08922	0.4
109.06502	2.6
109.10126	1.8
111.08082	3.6
113.05976	0.6
113.09637	0.4
117.06985	2.6
119.08560	8.2
120.08875	0.3
121.06517	0.5
121.10126	13.6
123.08047	2.0
123.11687	9.9
125.05902	0.3
125.09609	0.8
127.03905	0.9
127.07563	1.2
129.05579	0.3
129.07005	0.6
131.08560	3.0
133.10112	3.7
135.08032	0.7
135.11655	3.2
137.13275	0.8
139.11177	0.8
141.09097	0.3
145.04971	1.3
145.10132	0.7
147.04416	0.4
147.11668	23.6
148.12003	0.4
149.09645	0.9
149.13239	12.9
151.11137	0.5
157.10136	1.2
158.38162	0.3
159.11681	5.8
163.06018	1.4
165.12738	9.7
167.14287	0.9
175.11192	1.0
177.12698	2.6
183.13799	0.9
189.11147	0.4
193.12268	1.9
195.13789	5.9
211.13330	0.8
213.14819	2.0
227.12784	0.4
229.14340	1.8
267.15881	29.7
268.16299	1.4
269.17447	49.6
270.17755	1.4
283.15363	0.4
285.16931	19.6
286.17267	0.7
435.26840	0.4
459.27164	0.4
460.27844	0.7
461.28586	2.1
477.28516	1.0
478.28723	1.3
479.29971	100.0
480.30331	3.7
541.35278	0.4
559.35999	0.5
623.33734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13766	1.3
67.05476	1.8
69.03422	7.4
69.66222	6.8
69.66644	5.6
70.06572	1.6
71.04984	1.7
79.05470	2.3
81.03394	14.1
81.07016	2.6
83.04975	1.6
83.91676	1.3
85.02888	7.0
93.05766	2.4
94.06573	7.0
95.04961	2.1
97.02876	5.2
99.04454	2.4
108.04446	6.3
108.08097	9.3
109.02847	9.9
111.04432	2.9
118.06543	2.0
119.04937	1.7
120.08108	2.5
121.06504	1.5
122.06021	8.7
123.04406	1.7
124.07555	5.4
127.03894	5.6
134.06012	2.3
135.07991	1.7
136.07553	25.9
137.05899	3.5
137.09550	1.7
138.05435	1.6
138.09119	2.3
144.08031	2.6
146.06046	3.0
146.08374	2.5
146.09483	1.6
148.07565	4.1
150.05466	2.5
150.45161	1.6
151.03865	2.0
152.07030	1.9
153.01764	2.5
160.07559	3.5
162.05510	3.5
163.07469	1.6
164.07050	7.0
166.08617	2.4
167.07170	1.9
168.06522	2.7
170.09641	1.8
172.07576	1.6
173.10620	1.7
174.05530	2.5
181.04901	2.0
181.08870	3.3
182.09645	2.7
183.09114	2.6
184.11182	3.6
185.10786	1.5
190.04958	1.8
194.09619	3.1
195.09059	2.0
196.07585	1.6
196.08263	1.6
196.09912	12.4
197.10602	8.0
198.09285	2.1
199.08640	4.4
201.10220	5.1
204.06383	2.7
206.08376	29.5
209.06905	2.2
209.10658	2.1
210.11449	3.0
211.08646	22.7
211.12273	17.1
212.07341	1.5
212.09349	5.7
212.11002	2.2
213.10158	10.4
215.08176	2.2
215.11812	2.9
217.09712	2.6
220.09900	4.2
221.10710	12.9
222.09148	3.1
223.08583	9.4
224.09282	12.3
225.06749	2.2
225.10191	22.3
226.08813	3.4
226.10876	11.6
227.08124	6.1
227.11766	9.8
229.09686	4.5
229.13304	2.6
237.10207	11.2
238.10835	10.7
239.07996	6.2
239.11748	74.3
240.08621	2.8
240.12497	4.5
241.09741	12.3
241.13316	6.7
242.10413	1.8
243.11310	3.8
249.10242	2.8
251.08090	4.3
251.11847	3.5
252.08948	6.2
253.09686	20.8
253.12434	2.0
253.13307	2.0
254.10429	9.1
255.11240	17.8
256.09656	1.7
256.12061	5.6
257.08948	3.0
257.12790	37.5
263.11624	1.8
264.09116	2.0
265.09760	6.5
266.10526	2.0
266.26978	1.7
267.11246	100.0
268.09256	1.9
268.11838	4.7
269.09274	5.1
269.12817	13.5
271.10797	7.6
272.11258	1.6
273.12372	2.1
277.09525	2.3
279.07495	2.4
279.11255	4.7
280.08395	2.9
281.09143	8.2
281.12726	4.0
282.09769	2.3
283.10757	9.6
284.11523	2.9
285.09177	2.4
285.12289	65.2
287.10614	2.1
287.13834	4.5
293.09290	3.7
293.12708	2.7
295.10742	27.2
296.11298	2.4
297.08911	2.7
297.12274	12.6
299.10190	5.0
299.13925	5.0
301.11850	3.8
303.13437	8.2
307.10773	2.1
307.14429	2.4
309.12256	2.4
311.10229	5.7
311.13702	2.0
313.11728	21.8
314.12329	2.4
315.10043	2.7
315.13361	5.9
321.08743	2.9
323.10208	10.6
323.13492	2.1
325.11807	4.2
327.13361	3.9
335.10040	1.9
337.11749	1.7
339.09702	2.7
341.11398	9.4
343.12851	2.3
345.11765	1.9
347.13901	5.2
354.12039	2.3
355.12698	7.6
357.10507	1.9
371.12497	2.7
373.13782	10.6
374.14380	1.7
383.12439	2.6
389.13550	1.6
411.15744	2.4
415.14795	3.2
416.16034	2.1
423.15668	2.0
429.16895	2.2
433.16364	1.9
439.14865	5.6
445.16266	2.0
449.13431	2.7
457.15863	9.1
467.14407	9.3
481.16122	2.7
483.13617	2.0
485.15488	12.2
499.17056	6.5
503.16519	3.5
515.16614	3.2
517.18030	33.1
518.17755	2.8
535.19208	5.2
579.19952	1.5
587.26508	1.7
592.69165	1.6
607.22095	1.8
625.22736	2.3
643.23871	2.0
657.23779	2.3
675.26001	2.4
705.24915	4.0
723.25775	7.1
725.26819	2.2
733.24457	6.4
737.27454	5.4
741.27582	7.9
743.28857	2.2
751.25793	14.8
755.28320	7.6
759.28247	4.6
765.27222	4.2
769.27075	27.2
770.26141	2.4
773.29724	6.6
773.43445	1.6
783.28455	13.0
787.13495	2.3
787.27972	42.7
788.28345	3.3
791.30713	4.9
801.29889	23.2
805.27942	5.7
819.30682	73.3
820.30298	6.3
837.31146	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	836.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04967	1.5
61.02914	11.1
62.82687	0.5
65.03912	1.2
66.61510	0.6
67.05492	24.0
69.03130	0.4
69.03411	5.1
69.07057	6.1
70.68027	1.6
71.01331	1.2
71.04990	4.0
73.02898	3.6
79.05478	21.6
79.69060	0.5
81.03404	62.5
81.07044	27.6
82.03704	0.8
83.01317	1.4
83.04967	10.7
83.08606	21.0
85.02891	21.3
85.06514	1.4
91.03947	8.9
91.05464	21.5
92.30647	0.6
93.07028	20.7
95.04953	22.6
95.08029	0.9
95.08586	10.1
96.04472	0.7
97.02876	10.9
97.06510	4.0
97.10143	4.8
99.04406	1.9
99.08034	1.1
103.05433	0.8
105.07016	15.3
107.04935	8.0
107.08578	11.9
109.02847	1.6
109.06490	4.3
109.10134	4.1
111.04399	2.3
111.07371	0.5
111.08063	7.5
111.11666	0.7
113.05989	1.1
115.05386	1.1
116.06218	0.6
117.07008	4.5
119.04942	0.6
119.08559	15.7
121.06490	4.4
121.10126	10.2
123.04388	1.6
123.08040	4.6
123.11663	1.6
125.05893	1.1
125.09640	2.6
127.03878	2.9
128.06204	0.7
129.05458	0.6
129.06982	8.6
131.04900	1.0
131.08542	10.8
133.06485	3.1
133.09111	0.7
133.10118	10.9
135.08006	1.9
135.11678	6.3
137.05975	0.8
137.09581	1.7
139.89578	0.5
141.06854	1.0
142.07719	1.9
143.08496	1.0
145.04950	3.7
145.06438	3.3
145.09172	0.6
145.10094	6.6
147.04324	1.5
147.08043	3.7
147.10603	0.9
147.11658	9.2
149.09621	5.6
149.13225	2.9
151.07417	0.6
151.11179	1.2
153.08969	0.8
153.12733	0.9
155.08493	1.6
157.10095	10.0
159.08047	0.8
159.11636	2.0
161.05914	0.7
161.09552	0.7
163.06009	3.2
163.11154	9.7
165.12729	1.9
169.10095	0.8
171.08002	1.0
171.11731	1.0
173.09575	1.2
175.11150	9.1
177.12764	1.5
181.12177	0.8
181.47069	0.5
184.07335	0.8
189.11195	1.1
189.12688	0.8
191.10655	1.0
193.12213	27.4
195.11783	0.9
195.13809	1.5
196.26157	0.5
197.09595	0.6
197.13170	0.8
199.11096	0.6
203.10645	0.7
205.12186	1.1
207.13881	0.6
209.11653	1.2
209.13390	0.6
211.11240	0.5
211.13223	11.9
213.12749	0.9
223.13158	0.6
227.12737	2.1
229.14215	0.7
237.12791	0.9
245.15224	0.8
249.14799	1.5
249.93402	0.5
253.14328	1.1
255.13731	1.6
259.13242	1.1
267.15872	85.7
268.16269	0.6
269.17422	12.1
273.14740	4.1
277.50616	0.5
283.15344	16.6
285.16916	13.9
301.14169	1.3
309.16943	1.8
341.21136	1.2
349.21616	2.2
367.22614	5.6
385.23727	7.3
403.24686	1.8
405.23975	1.1
433.25793	14.1
433.79572	0.6
441.26129	4.9
459.27328	62.0
460.27579	1.6
477.28409	100.0
478.28766	2.3
501.28351	2.2
519.29504	3.0
565.50616	0.6
573.30438	0.9
585.30627	2.1
603.31665	1.4
621.32159	1.8
844.09125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	1.2
61.02911	4.1
65.03931	0.7
67.05492	21.7
67.34604	0.3
69.03407	1.3
69.07058	7.1
70.88249	1.1
71.01325	0.5
71.04977	2.9
71.65944	0.3
73.02895	1.5
73.81473	0.3
79.05480	15.0
81.02950	0.7
81.03403	5.8
81.07044	27.8
83.01326	3.0
83.04968	4.8
83.08603	7.7
85.02889	6.5
85.06542	1.8
90.96190	0.4
91.03949	3.0
91.05465	8.8
91.06001	0.7
93.07029	24.0
95.04967	4.3
95.08588	8.6
97.02883	3.5
97.05905	0.5
97.06518	5.2
97.10148	1.5
99.04437	1.7
99.08048	1.2
105.07011	5.2
107.04946	3.4
107.08575	13.2
109.06484	3.2
109.10141	2.9
111.04424	0.9
111.08063	2.9
113.06001	0.4
113.09642	0.3
115.05415	0.4
117.07000	6.1
119.08561	4.8
121.06478	1.9
121.10118	9.0
121.10986	0.5
123.08038	3.9
123.11698	1.2
125.05956	1.0
125.09544	0.8
127.03869	2.4
129.07001	0.8
130.07787	0.5
131.08554	3.5
133.06444	0.3
133.10100	4.3
135.08008	1.6
135.11662	7.4
137.09610	0.9
139.07550	0.4
143.08583	0.6
145.04961	1.3
145.06499	0.4
145.10104	6.5
147.07990	1.0
147.11662	1.2
149.09610	1.3
149.13229	11.2
151.11143	0.6
153.12723	1.2
154.27817	0.3
155.08534	0.8
157.10139	0.5
159.11671	5.1
163.06012	1.5
163.11147	11.0
167.06973	0.7
167.14229	0.4
173.04362	0.4
173.09602	1.9
177.12741	2.4
181.12201	1.8
191.10670	0.8
193.12299	0.6
195.13776	4.0
209.11720	2.6
224.26926	0.4
227.12750	2.7
229.14281	0.7
251.16479	0.4
251.92560	0.4
265.14331	1.2
267.15936	1.4
269.17429	44.1
270.17795	0.6
283.15350	28.2
284.15576	0.7
285.16873	0.6
437.25027	0.5
459.27313	4.9
477.28409	100.0
478.28607	4.0
480.30051	0.4
621.32379	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.54
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07382	1.0
65.03924	2.2
67.05495	50.0
68.05823	1.1
69.03418	3.8
69.07059	17.9
71.04989	2.6
71.08621	28.1
71.62184	1.1
72.08947	0.8
73.02909	2.9
75.04465	1.0
79.05482	29.4
80.05799	1.1
81.03416	3.2
81.07046	56.0
82.07360	1.3
83.04969	2.4
83.08147	0.5
83.08604	14.2
85.02883	3.3
85.06516	2.1
85.10169	17.6
86.10475	0.7
89.06002	1.0
91.05464	15.4
93.07029	34.7
94.07372	1.3
95.04959	2.8
95.08594	53.0
96.04027	0.6
96.08916	1.4
97.02875	1.5
97.06512	1.9
97.10152	7.9
98.98441	0.7
99.04428	2.8
99.08089	0.8
99.11716	1.0
103.07548	0.6
104.99329	0.6
105.07010	11.8
107.08582	20.4
109.02872	6.3
109.06514	1.3
109.10139	24.5
110.03653	2.2
110.10421	0.9
111.03830	0.4
111.04448	3.9
111.08081	0.8
111.11700	2.0
117.07027	4.7
119.08570	10.2
121.10130	17.9
122.10471	0.9
123.08036	1.2
123.11682	9.5
125.09645	1.3
125.13248	0.6
127.03877	2.3
131.08549	8.2
132.99529	2.0
133.10109	9.0
135.11679	12.9
137.09596	1.0
137.13220	4.4
139.11160	0.7
145.10097	5.6
147.11667	6.4
149.09570	0.6
149.13229	7.2
150.13605	0.7
151.00587	0.5
151.14780	1.0
159.11668	5.6
161.13252	5.1
163.14816	4.0
173.13232	6.1
175.14822	1.5
177.16371	2.0
185.13188	0.9
187.14798	2.3
191.00018	3.3
201.16335	0.9
209.00961	1.0
219.17375	0.8
221.15495	0.5
221.22482	0.7
233.22658	1.6
237.21996	0.7
239.23668	9.8
239.52071	0.6
240.23978	0.9
243.21046	8.9
257.24734	2.8
259.20544	0.7
261.22110	37.9
262.22562	0.7
277.21613	1.2
279.23132	1.0
291.30472	0.6
298.27231	0.6
303.23077	0.9
311.25775	0.6
313.27319	100.0
314.27661	3.2
317.24750	5.6
331.28326	2.7
333.23938	0.8
335.25751	72.9
336.26129	2.2
353.26678	1.8
369.24246	1.1
371.26114	0.7
451.21411	1.6
456.86679	0.5
465.25040	2.3
469.22339	1.1
481.43472	0.8
487.23599	0.7
499.44995	1.0
501.41199	0.6
539.28790	11.7
561.27222	14.2
562.27069	0.9
573.48712	44.2
574.49048	30.3
575.49774	1.5
591.49823	5.4
781.15515	0.6
799.50293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	0.3
61.02917	2.3
65.03927	1.0
67.05497	20.4
69.03419	0.6
69.07061	6.1
69.47998	0.8
69.48425	1.1
71.01350	0.2
71.04987	1.5
73.02882	0.8
73.06543	0.5
73.08694	0.2
77.03937	0.4
78.19946	0.2
79.05483	21.9
81.03405	2.4
81.07046	23.1
82.07404	0.2
83.04974	4.2
83.08607	4.4
85.02890	2.6
85.06536	1.9
91.03945	1.7
91.05468	14.4
93.07030	26.8
94.07379	0.5
95.04956	5.9
95.08592	10.0
97.02874	1.7
97.06520	3.5
97.10146	1.2
98.20740	0.5
99.04442	0.6
99.08073	0.8
105.04517	0.3
105.07020	10.5
107.04951	1.6
107.08576	9.5
109.02858	0.4
109.06506	2.3
109.10140	1.8
111.08082	1.9
113.09640	0.4
115.05453	0.4
117.06992	3.2
119.04937	1.0
119.08563	5.9
121.06480	1.1
121.09290	0.4
121.10126	5.0
123.08041	1.5
123.11691	0.6
125.09609	0.4
127.03889	0.7
127.07542	0.4
128.06200	0.6
129.06985	4.1
130.07791	0.2
131.08553	2.7
133.06485	0.5
133.10118	4.7
135.08017	0.6
135.11664	2.6
137.09616	0.4
139.11140	0.5
141.06990	0.2
143.08537	2.3
145.04942	0.6
145.10117	2.9
147.04395	4.4
147.08023	0.9
147.11667	9.8
148.04729	0.4
149.09659	0.4
149.13240	7.7
156.09254	0.3
157.10120	0.4
159.11659	3.5
161.09622	1.1
161.13245	3.3
163.06010	0.4
163.11160	0.5
171.11662	7.2
173.09608	0.3
177.12724	1.5
189.12709	3.0
193.12138	0.3
195.13763	2.0
207.13792	5.9
225.14894	0.5
263.16614	0.3
267.15771	0.4
269.17438	20.6
270.17908	0.3
281.17432	16.2
282.17795	0.3
283.15527	0.2
287.05383	0.3
327.20529	0.2
335.25867	0.4
353.94510	0.2
413.21469	0.2
457.24634	0.3
457.29999	0.4
475.30515	100.0
476.30811	3.2
619.34888	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	0.3
67.05497	1.2
69.03417	2.4
69.07069	0.9
71.04961	0.2
71.62590	0.2
79.01836	2.0
79.05482	0.7
81.03403	4.2
81.07043	2.2
83.04977	0.4
83.08603	0.6
85.02893	4.6
87.00834	0.2
91.05463	1.2
93.07019	1.9
95.04958	0.4
95.08021	0.3
95.08588	2.2
97.02871	2.4
97.10212	0.2
99.04428	0.6
99.08086	0.2
105.07023	2.7
107.01286	1.2
107.08578	2.2
109.02865	4.8
109.06490	0.3
109.10134	1.8
115.05483	0.2
117.06982	0.8
119.04900	0.2
119.08562	3.8
121.06469	0.5
121.10123	1.7
123.08076	0.2
123.11681	0.6
125.02324	3.1
125.06044	0.2
127.03898	8.5
128.06259	0.2
129.06989	0.2
131.04951	0.3
131.08536	3.4
133.10117	3.0
135.08037	0.4
135.11665	1.0
137.05984	0.5
137.09579	0.4
142.07761	0.3
143.03377	4.4
143.08553	0.9
145.04933	0.3
145.10101	3.8
146.95065	0.2
147.04370	0.3
147.08022	0.5
147.11664	2.3
149.06023	0.3
149.09599	0.3
149.13220	0.8
151.07498	0.3
151.11134	0.2
153.01804	100.0
154.02159	1.1
157.10101	1.6
158.10835	0.2
159.11665	1.8
161.09592	0.9
161.13251	1.6
163.07489	0.2
163.11160	0.4
163.14748	1.4
167.07111	0.2
169.10126	0.4
171.02861	11.4
171.11668	1.1
173.09564	0.2
173.13226	4.8
175.11293	0.3
175.14799	4.7
177.12738	0.3
177.16414	0.9
179.14229	0.2
183.11673	0.5
185.09633	0.2
185.13213	2.0
187.11259	0.2
187.14806	3.3
189.12721	2.4
189.16368	1.2
191.14275	5.7
191.17992	0.6
193.08562	0.3
195.11824	0.3
197.13283	0.3
199.14784	2.5
201.12708	0.3
201.16347	3.7
203.14325	0.7
203.17908	1.8
205.15889	0.4
207.13734	0.3
209.13306	0.2
211.14897	0.2
212.05467	0.2
213.16425	1.0
215.14284	0.9
215.17924	0.2
217.12245	0.4
217.15874	0.5
219.13763	0.6
219.17453	0.5
221.15361	0.3
225.16357	0.2
227.17924	0.4
229.12216	0.2
229.15836	0.4
231.13821	0.3
233.04433	0.3
235.13196	1.0
235.16954	0.5
237.14790	0.6
239.17807	0.2
243.17319	0.3
245.15305	0.9
247.16824	1.3
249.14906	0.6
249.18446	0.3
253.19495	0.4
259.16843	0.4
267.21030	0.3
273.18423	0.2
279.04980	4.6
285.06177	0.4
297.05991	3.3
307.24191	0.3
315.07043	22.9
316.07379	0.4
371.25916	0.2
373.29074	0.3
375.30420	0.5
391.29883	1.8
392.30017	0.2
393.31641	0.5
409.31058	1.3
411.32498	0.5
419.29474	1.8
421.30875	0.7
437.30441	5.0
439.32092	0.7
447.28656	0.2
455.31519	4.3
456.32047	0.2
457.33099	0.5
465.30002	1.7
473.32568	1.6
483.30966	2.2
501.32080	2.8
537.86011	0.2
609.33691	0.4
627.35248	0.2
705.64648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91161	0.4
67.05479	1.2
69.03432	1.3
69.07041	1.5
71.62118	1.0
72.31354	0.5
79.05469	1.2
81.03383	0.6
81.07030	1.6
84.08102	0.6
85.02885	1.4
93.44044	0.6
94.06527	1.6
97.02863	0.6
98.06098	0.5
106.06529	1.8
107.04964	0.7
108.08057	1.0
109.02873	0.8
110.06026	1.1
112.03916	2.8
112.07552	1.2
118.06523	0.7
120.04450	0.5
120.08073	0.6
122.06017	5.5
123.04423	0.9
124.07580	4.4
127.03868	0.6
134.05995	0.9
136.07555	12.5
140.07039	20.6
142.08571	0.7
144.04405	1.1
146.05975	4.6
146.09639	1.3
148.07526	4.8
150.09218	0.8
152.07031	1.9
153.01762	0.7
162.05475	0.9
164.07043	25.7
165.07370	0.8
166.08620	15.5
167.07018	0.5
172.03906	4.7
174.05463	5.4
176.07028	6.3
190.04982	3.4
192.06590	0.8
197.10638	0.8
199.08527	0.6
204.06494	5.8
206.08104	2.0
209.10576	0.8
210.11456	2.5
211.12265	1.7
211.48201	0.6
218.08141	0.7
218.96010	0.5
220.09702	0.9
221.10646	1.5
222.09312	0.5
222.11299	1.0
223.12270	2.8
224.13025	1.2
225.10126	1.5
227.11769	1.4
235.08672	0.9
235.12146	2.7
236.09158	0.6
236.13029	1.3
237.10165	6.3
237.13759	3.3
238.10951	3.6
239.11708	7.8
240.12331	1.1
243.11220	0.7
246.07399	0.8
247.12328	0.7
248.09283	3.4
249.10121	6.5
250.10928	5.6
251.11755	14.1
252.12476	1.8
253.13376	4.7
255.11168	1.3
261.09964	0.7
261.12405	1.7
263.07574	0.6
263.11752	19.4
264.08804	2.1
264.12415	3.7
265.09729	6.5
265.13312	33.5
266.10428	1.1
266.13974	2.5
267.11218	3.4
267.14923	0.6
269.12759	2.7
270.13559	0.7
271.14294	2.2
275.11737	1.0
276.08789	0.5
277.09674	7.4
277.12924	0.8
278.10486	2.8
279.11221	47.8
280.11920	3.7
281.09390	0.5
281.12759	2.3
281.61758	0.7
282.13461	1.4
283.10980	1.2
283.14380	2.6
284.11569	0.9
285.12247	1.9
287.13818	4.3
291.11188	9.3
292.12033	2.9
293.12802	9.4
294.13486	2.7
295.10751	13.1
295.14160	1.6
296.11472	3.0
297.12296	21.0
298.12943	3.5
299.13885	1.1
305.14838	1.6
309.12292	52.0
310.13055	21.7
311.13821	33.3
312.14581	6.3
313.11703	1.9
313.15421	2.5
319.10687	9.9
320.11383	1.3
321.08752	0.6
321.12228	3.6
323.10309	1.1
324.10849	1.0
325.11697	1.1
328.56033	0.6
331.13010	1.2
331.16559	0.9
337.11758	100.0
338.12515	32.6
338.15674	0.7
339.13333	24.1
340.13937	1.6
345.14316	2.9
355.12915	2.8
356.13657	0.9
357.14349	1.8
358.15570	0.9
369.14404	23.6
370.15070	5.3
371.15924	5.0
373.14020	0.9
374.14722	0.8
375.15018	0.6
384.13028	0.7
390.18018	1.0
398.14651	0.7
399.15912	1.2
400.16382	1.8
401.13467	6.5
416.15854	1.2
417.16791	0.9
418.17654	1.2
432.19098	0.6
434.16769	1.1
440.15790	0.8
449.18997	1.1
450.20047	1.5
452.21774	4.4
458.17035	3.5
459.17734	0.8
475.17026	5.4
476.18118	2.9
478.19769	6.0
482.16681	1.9
494.19208	3.3
496.20477	1.1
499.17010	1.1
510.22153	2.5
599.24713	2.3
614.26971	35.4
615.27032	1.7
617.25684	3.5
622.23999	1.1
635.26965	9.9
640.24872	54.9
641.24908	3.8
642.25842	1.1
667.29462	1.0
672.27515	52.3
673.28046	3.3
737.29858	0.7
753.32233	0.7
761.29980	2.8
779.31122	4.4
797.32251	24.8
798.32373	1.3
829.34821	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	826.5659
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	4.9
65.03921	3.9
67.05494	90.9
69.03429	10.2
69.07056	41.7
71.04968	5.1
71.08617	2.7
71.62311	2.5
79.05482	45.4
81.03403	9.0
81.06567	4.9
81.07047	100.0
82.07374	2.3
83.04972	13.6
83.08607	18.7
85.02886	4.5
85.06518	3.3
86.09731	2.4
91.05471	40.0
92.05804	2.3
93.06454	4.1
93.07028	54.5
95.04952	8.9
95.08596	60.8
97.02878	3.7
97.06522	12.9
97.10158	9.1
103.05487	2.3
105.07012	28.4
107.04938	5.2
107.08583	31.2
109.06522	4.9
109.10142	19.2
111.08066	7.3
117.07004	14.1
119.08582	23.0
121.06480	3.4
121.10125	27.6
123.08018	3.6
123.11692	7.4
124.99908	3.7
127.03856	2.8
131.08562	13.5
133.03838	2.4
133.10107	23.2
135.08025	5.4
135.11674	14.8
137.09558	2.8
141.07047	2.1
143.08568	2.6
145.10088	10.0
147.04405	5.0
147.11652	9.5
149.09599	6.4
149.13258	11.1
153.33759	2.0
157.10121	4.5
159.11673	12.7
161.13222	6.2
163.11111	2.7
171.11690	3.0
173.04445	4.4
173.13272	3.8
175.14705	2.9
184.07323	8.5
195.13794	3.0
227.12779	2.7
229.14227	2.4
236.91972	2.7
245.22678	3.1
255.15854	16.1
257.18964	5.7
259.20511	2.7
263.23679	4.1
267.21515	2.0
269.17413	33.7
275.20038	16.4
276.92908	1.9
313.27493	2.4
335.25662	3.2
337.27350	88.9
349.23657	18.7
367.24728	4.1
413.21643	2.9
517.38818	19.5
531.40375	82.1
532.40637	3.8
611.46545	28.7
612.46674	2.3
613.47137	2.3
629.47644	9.7
675.44025	3.5
826.50659	2.9
827.47675	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	826.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06572	0.5
59.04989	2.5
60.08159	1.2
61.02916	10.0
65.03931	1.1
67.05494	57.1
68.05839	0.4
69.03418	2.0
69.07054	5.4
71.04980	2.5
71.08621	14.6
71.62802	0.4
73.02914	3.8
79.05483	1.1
81.03405	1.0
81.07046	14.7
83.08605	10.3
85.02892	12.8
85.06531	1.9
85.10166	10.3
86.09689	4.8
87.04446	0.7
89.06031	1.1
91.03938	8.0
91.05466	3.5
93.07034	2.5
95.08592	14.0
97.02872	7.0
97.06491	0.5
97.10163	3.4
99.04444	1.2
99.08067	0.5
103.07573	0.9
104.10704	0.5
107.08601	1.0
109.10140	66.4
110.10466	0.5
111.08068	2.5
111.11749	0.7
115.03904	0.5
119.08566	5.3
121.10191	0.5
123.11700	2.8
124.99986	2.6
127.03905	3.0
133.65839	0.3
136.80939	0.3
137.09605	2.7
137.13286	0.8
145.04935	3.5
150.51256	0.4
155.10631	3.5
163.05988	3.9
163.93269	0.4
173.11711	20.2
175.39172	0.4
184.07318	14.2
184.08983	0.7
206.94379	0.4
229.14316	100.0
230.14690	1.5
239.23640	1.8
257.24728	1.5
313.27313	78.5
314.27798	0.8
373.18597	0.7
467.37280	66.8
468.37671	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12401	0.1
65.03922	1.2
65.08777	0.1
67.05489	0.4
69.07052	0.1
69.52799	0.5
78.22240	0.1
79.05461	0.2
81.03413	0.3
81.07018	0.3
83.08563	0.1
91.05463	10.2
92.05799	0.2
93.07022	0.3
95.04955	0.2
95.08586	0.2
97.02874	0.1
105.06994	0.2
107.08549	0.2
109.02850	0.2
109.10135	0.3
111.08096	0.1
116.38865	0.1
118.04099	0.1
119.04919	24.5
120.05246	0.6
121.02788	0.1
121.10098	0.1
123.04283	0.1
124.24193	0.1
125.09592	0.1
126.87330	0.1
127.03884	0.3
131.08572	0.1
133.10101	0.1
136.11960	0.1
138.19034	0.1
145.10106	0.1
147.04381	100.0
148.04720	2.5
151.28374	0.1
153.01775	0.1
161.13147	0.1
163.11176	0.1
169.04871	0.2
184.07324	0.1
193.12111	0.1
229.26436	0.1
253.14175	0.1
255.06456	0.1
267.15906	0.1
273.07510	0.1
287.05453	1.4
288.05682	0.1
293.08029	0.2
368.82068	0.1
465.27988	0.1
466.28696	0.1
475.26938	0.1
501.56052	0.1
527.26483	0.1
539.15344	0.4
540.15936	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	825.2003
Annotation	Kaempferol 3-(3'',4''-diacetyl-2'',6''-di-(E)-p-coumarylglucoside)
Peak:m/z	Relative Intensity
58.70544	0.0
63.02370	0.1
63.05351	0.1
65.03922	1.2
67.05484	0.1
70.01312	0.3
75.02352	0.1
78.04787	0.1
79.05476	0.1
81.03416	0.1
81.07042	0.0
91.05466	9.1
92.05807	0.2
94.92132	0.0
95.04938	0.1
96.06895	0.1
97.02872	0.1
97.55505	0.0
109.02859	0.2
119.04923	20.8
120.05247	0.4
127.03917	0.2
147.04385	100.0
148.04712	2.0
148.05907	0.1
165.06950	0.1
169.04944	0.2
211.07538	0.1
255.06525	0.1
257.04523	0.1
273.07504	0.1
287.05457	1.8
293.08008	0.4
393.12067	0.1
402.89230	0.1
412.65771	0.1
465.30444	0.1
539.15540	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49047	0.1
63.02374	0.1
65.03927	1.4
65.52712	0.1
65.75246	0.1
70.25050	0.1
70.25448	0.2
76.87735	0.1
79.05469	0.1
81.03403	0.2
91.05465	11.7
92.05795	0.1
92.77454	0.1
95.04988	0.1
97.02860	0.1
100.23569	0.1
109.02835	0.3
119.04919	27.3
120.05228	0.4
121.10130	0.1
127.03901	0.2
130.07539	0.1
138.89635	0.1
147.04382	100.0
148.04713	2.2
153.01796	0.1
165.07018	0.1
169.04993	0.1
211.07626	0.1
231.06558	0.1
255.06549	0.1
273.07288	0.1
287.05444	3.2
288.05731	0.1
293.07938	0.3
355.34973	0.1
389.80801	0.1
393.11606	0.1
484.25656	0.1
539.15570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07381	0.1
61.02912	0.1
63.02349	0.1
65.03925	1.1
67.05496	0.6
69.03396	0.2
69.07045	0.3
69.46434	0.1
69.46841	0.5
71.04985	0.1
79.05489	0.4
81.03403	0.7
81.07054	0.6
83.04966	0.2
83.08599	0.2
85.02895	0.2
91.05464	11.3
92.05797	0.1
93.07024	0.4
94.07364	0.1
95.04957	0.2
95.08587	0.3
97.02895	0.2
97.06503	0.2
97.10144	0.1
98.20753	0.1
105.07019	0.2
107.04956	0.3
107.08566	0.3
109.02880	0.4
109.10130	0.3
117.06988	0.1
119.04920	24.5
119.08567	0.2
120.05244	0.6
121.02864	0.2
121.10114	0.1
123.04434	0.1
123.08077	0.1
125.09587	0.1
127.03928	0.4
129.07011	0.1
131.08548	0.1
133.10083	0.3
135.07964	0.1
135.11710	0.1
137.09526	0.1
143.08531	0.1
145.10085	0.1
147.04382	100.0
148.04723	1.7
153.01759	0.2
163.11119	0.1
165.07027	0.2
167.07033	0.8
169.04869	0.2
183.07994	0.1
184.07295	0.2
193.12241	0.1
199.13132	0.1
204.58920	0.1
209.11569	0.1
211.07610	0.2
211.13242	0.2
213.05544	0.1
229.14293	0.1
244.17259	0.1
255.06425	0.2
267.15707	0.2
273.07516	0.1
283.15463	0.1
285.16965	0.2
287.05438	1.7
311.05243	0.1
327.04898	0.3
405.09561	0.2
433.09091	0.2
493.27536	0.1
539.15454	0.4
559.12177	0.1
571.80121	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	824.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85630	0.8
60.46609	0.8
61.02905	3.3
65.03931	4.3
67.05495	93.1
69.03426	8.6
69.07059	31.3
69.07378	0.6
69.07440	1.1
71.01336	1.4
71.04984	5.8
71.13116	2.5
73.02888	1.6
79.05482	66.4
80.05816	1.8
81.03397	9.9
81.07045	100.0
82.07389	2.2
83.04963	10.0
83.08608	15.6
85.02878	6.6
85.06538	4.7
91.05465	53.5
93.07030	80.7
94.07345	1.3
95.04945	12.6
95.08593	57.4
97.02882	5.0
97.06512	13.0
97.10149	7.0
99.04414	2.2
99.08074	3.5
103.05474	1.0
105.04491	1.6
105.07014	35.0
107.04940	6.2
107.08578	43.5
108.08891	1.3
109.02853	1.8
109.06504	6.8
109.10138	23.6
110.75986	0.8
111.04399	1.6
111.08057	5.7
111.11681	1.3
115.05421	1.0
117.07001	17.7
119.04900	1.1
119.07697	1.0
119.08563	27.9
121.06480	4.0
121.10123	30.9
121.53235	0.8
122.10532	1.2
123.04412	1.5
123.08053	4.8
123.11693	7.1
125.09620	2.8
127.03897	3.5
128.06239	1.5
129.05476	1.9
129.06985	5.1
130.07742	1.5
131.08548	21.8
133.06456	1.3
133.10110	25.2
135.08049	4.8
135.11668	20.5
137.09579	3.1
137.13274	1.4
141.06979	1.8
143.08565	3.9
145.04929	1.1
145.06454	1.2
145.10101	19.3
147.04373	3.8
147.08076	1.1
147.11665	15.8
149.09595	9.0
149.13235	14.2
151.11165	2.9
155.08516	1.8
157.10080	3.4
159.08105	0.9
159.11678	17.6
161.09653	1.0
161.13225	7.7
163.11142	5.4
163.14824	3.5
165.12695	2.3
167.08661	0.9
169.10089	2.3
171.11720	4.0
173.04480	2.7
173.09683	1.0
173.13242	9.3
175.11205	1.3
175.14777	2.7
177.12753	5.1
177.16385	1.0
179.14316	1.6
183.11650	2.1
184.07300	1.1
185.13226	2.0
187.14769	4.0
189.11189	1.4
195.11844	1.4
195.13797	5.6
197.13210	1.7
199.14821	1.8
201.16330	1.4
209.13264	0.9
211.14734	0.8
213.14764	1.0
215.17905	1.1
217.15793	1.0
219.17511	1.4
227.12801	2.5
229.19461	1.0
239.17987	2.6
243.21051	2.5
255.15869	12.3
257.19037	6.1
259.20529	2.1
261.22098	11.3
267.15826	2.2
269.17435	32.4
270.17810	1.1
275.20020	22.0
285.14798	0.9
293.21173	1.7
317.24744	3.1
324.77167	0.9
329.24768	1.2
331.22559	2.2
333.24188	1.6
335.25751	97.9
336.26181	5.6
339.17950	1.2
349.19714	1.5
349.23709	20.7
350.23737	1.1
367.24722	3.6
413.21436	3.1
437.33871	2.2
481.86859	0.8
489.35532	1.4
515.37225	19.8
516.37384	1.3
529.38824	74.2
530.39355	7.9
569.41467	3.3
570.65607	1.1
571.39282	1.0
609.45142	21.7
610.45282	2.6
627.46088	7.0
673.42596	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	824.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.8
64.44913	1.8
65.03938	2.2
67.05492	38.7
69.07056	12.5
71.04966	2.4
71.62383	2.5
71.62884	3.2
79.05479	31.4
81.07041	41.6
83.04971	2.9
83.08619	10.3
84.04480	9.0
85.02861	2.6
86.09663	3.8
86.61557	1.9
91.05466	44.1
93.07031	36.7
95.04958	3.9
95.08591	29.1
97.10142	3.4
102.37262	1.9
105.07016	35.5
107.08569	24.5
109.06486	2.3
109.10115	11.8
112.21279	2.3
115.05432	2.5
117.07006	16.7
119.08567	26.3
121.06495	3.4
121.10133	17.1
123.11651	3.7
124.99998	2.6
125.09629	2.6
126.24790	1.8
129.06995	15.2
131.08553	24.8
133.10114	19.2
135.11655	10.4
141.06985	3.3
142.07738	2.8
143.08537	14.3
145.10091	19.8
147.04402	11.0
147.11665	13.4
148.43639	2.0
149.13277	4.0
155.08513	9.3
157.10092	15.0
159.11691	15.2
161.13223	5.2
163.14832	2.4
167.08527	3.5
169.10095	11.7
171.11667	11.9
173.13277	6.8
175.14806	3.0
181.10136	5.9
183.11673	9.7
184.07318	14.0
185.13229	9.1
187.14807	3.3
189.16365	2.7
195.11682	6.1
197.13257	8.1
199.14754	4.8
207.79002	2.1
209.13263	3.5
211.14786	4.1
213.16409	3.7
215.18114	1.9
223.14812	4.4
225.16299	2.4
227.17827	2.6
237.16350	3.2
239.17915	2.9
251.17934	3.1
257.18982	6.2
259.20633	2.6
333.24396	4.5
393.27463	3.0
517.40204	7.5
521.36084	2.2
535.41858	2.5
591.44061	8.9
598.42700	5.2
609.45038	100.0
610.45233	5.8
771.49438	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	2.5
65.03918	3.2
65.41865	2.1
67.05492	66.3
69.03412	8.0
69.07061	26.1
69.07411	3.4
69.27847	25.3
69.28251	4.7
71.04991	2.6
79.05479	75.3
81.03380	4.8
81.07043	64.9
83.04968	8.7
83.08610	23.6
85.02907	2.4
85.06547	4.9
91.05466	39.3
93.07027	52.9
95.04957	7.1
95.08032	4.0
95.08591	43.3
97.02879	3.6
97.06532	5.6
97.10150	41.8
101.09621	2.2
105.07012	32.5
107.04926	5.5
107.07850	3.9
107.08578	75.8
109.02834	2.1
109.06487	5.8
109.10133	23.2
111.08038	2.9
117.06993	13.8
119.08556	24.0
121.10132	23.6
123.08050	2.3
123.11690	7.4
125.09618	41.1
127.03918	4.1
131.08540	20.7
133.10115	19.7
135.08002	5.5
135.11674	14.7
143.08537	4.1
145.10086	22.9
147.04378	14.0
147.11659	14.2
149.09596	8.1
149.12140	2.0
149.13239	7.9
157.10110	4.6
159.11697	13.2
160.63756	2.0
161.13272	8.5
167.03157	2.5
169.10179	4.0
171.11714	3.5
173.11932	3.1
173.13152	10.8
175.14745	3.7
183.11552	2.5
184.07350	3.7
185.13255	4.5
187.14835	3.5
189.11171	18.6
199.14833	2.4
201.16394	2.8
227.12744	50.0
239.17891	4.2
241.19595	3.2
243.20779	3.2
245.13739	3.8
257.18878	8.7
259.20474	3.9
261.22116	20.7
275.19992	34.2
286.85831	2.4
312.46738	2.1
317.24808	2.6
331.22693	6.9
333.24237	3.9
335.25748	100.0
336.26224	4.3
339.81207	2.5
349.23657	47.0
351.25745	2.5
389.17969	6.0
487.34180	4.8
505.35043	28.2
609.44989	96.6
610.45349	7.6
621.00104	2.6
627.46063	20.1
649.38910	5.9
825.46973	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	824.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04978	2.2
61.02907	3.5
65.03915	2.6
67.05495	67.1
68.89398	1.0
69.03420	5.1
69.07059	22.1
69.59387	5.2
69.59798	1.6
71.01328	1.0
71.04984	7.7
73.02897	2.5
77.28808	0.8
78.85513	1.0
79.05484	40.3
81.03408	76.7
81.07046	57.2
82.03712	1.0
82.07377	1.8
83.04971	12.4
83.08607	28.6
85.02897	6.1
85.06535	4.1
86.09731	0.9
87.04469	1.5
91.03945	2.5
91.04894	1.4
91.05470	44.0
93.07032	45.1
95.04958	35.2
95.08591	24.3
97.02878	3.7
97.06513	12.6
97.10159	16.7
98.21410	1.8
99.04445	1.6
99.08073	2.5
103.05456	1.3
105.07018	36.4
107.04946	13.3
107.08579	33.9
109.02856	1.0
109.06512	10.7
109.10140	39.5
111.04459	2.3
111.08062	12.9
113.05916	1.1
115.05453	2.4
117.06994	12.0
119.04910	5.3
119.08565	32.8
120.08923	1.1
121.06475	8.1
121.10123	19.1
121.73698	0.8
123.04453	1.8
123.08074	4.7
123.11687	4.7
125.09612	14.2
127.03888	0.9
127.07500	0.9
128.06227	1.2
129.06976	14.8
131.04927	2.0
131.08546	21.0
133.06471	4.1
133.10112	20.7
135.08028	7.9
135.11665	15.8
137.05988	2.7
137.09613	5.8
139.11118	1.3
141.06989	2.4
142.07777	3.4
143.06946	0.9
143.08598	5.3
145.06451	2.8
145.10085	14.1
147.04410	8.8
147.08061	5.7
147.11670	19.3
149.09608	12.2
149.13257	4.2
150.09920	1.0
151.11127	3.1
153.01852	1.0
153.09085	1.5
153.12746	1.6
155.08591	2.0
155.10693	1.6
157.06586	0.9
157.10109	19.1
159.08038	3.1
159.11656	9.2
161.09615	3.7
161.13234	2.6
161.27094	0.8
163.11171	7.5
163.14868	1.2
165.12741	4.4
167.07056	2.2
167.08447	1.5
167.10674	1.3
169.10106	4.2
171.08040	1.1
171.10414	0.9
171.11613	4.8
173.09557	2.1
173.10278	1.0
173.11723	10.9
173.13251	3.1
175.07597	1.2
175.11163	13.2
175.14778	1.9
177.09079	1.0
177.12764	2.9
179.10672	1.0
179.14232	1.5
181.10117	1.6
181.12201	3.2
181.42221	0.9
183.11711	4.1
184.07373	2.3
185.09665	1.6
185.13235	3.5
187.11189	2.6
187.14862	1.7
189.11205	5.9
189.12640	2.2
191.10553	1.1
193.12218	29.3
195.11613	1.2
197.13258	2.1
199.11325	1.1
199.13187	1.1
199.14850	1.5
203.14256	1.7
205.12241	1.7
207.13733	0.9
207.82651	0.9
209.13194	1.2
211.13226	8.0
211.14912	1.2
217.15889	3.1
219.13765	1.0
221.13202	1.2
221.15231	1.0
227.12753	10.8
229.12064	2.1
229.14316	36.3
247.20659	1.2
249.14821	2.2
255.15834	13.8
257.19040	3.3
267.15884	100.0
268.16272	3.0
269.17499	7.9
273.18649	1.3
275.20041	16.1
285.16943	4.1
291.19592	1.0
293.21182	4.6
299.19913	1.0
301.14078	1.1
306.03168	1.0
315.22995	1.9
317.15829	1.2
317.21075	1.3
329.20996	1.4
331.22653	1.0
349.23730	15.2
367.24835	17.5
369.24329	3.5
387.25229	1.6
403.24768	3.8
421.25797	52.7
422.25940	1.5
433.29218	1.0
435.27197	1.3
437.29080	2.4
443.27841	10.1
447.27396	23.2
448.27615	1.6
449.30124	2.4
459.27313	2.1
461.28955	52.9
462.28918	2.0
465.28452	33.4
466.28668	2.2
467.31430	2.5
475.30475	3.0
477.28433	2.1
479.29773	2.6
485.32504	2.4
493.31577	27.3
494.31808	1.6
501.32098	1.4
501.89862	1.2
503.29904	1.6
511.32870	1.2
523.33881	2.8
541.35187	58.1
542.35345	3.3
547.28644	1.3
559.36230	61.7
560.36890	4.5
565.29932	1.2
573.37494	3.4
587.32104	1.9
591.38062	1.8
605.33112	1.2
623.34369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04972	0.5
61.02916	6.4
65.03892	1.1
67.05493	26.7
69.03416	3.0
69.07054	9.2
69.44370	3.8
71.01341	2.7
71.04978	3.7
73.02899	2.1
79.05480	27.5
81.03404	33.2
81.07041	19.1
82.03712	0.5
83.04968	10.7
83.08604	11.5
85.02888	16.3
85.06136	0.3
85.06526	3.6
86.09663	0.4
87.04440	0.5
91.03944	4.0
91.04892	0.7
91.05463	19.7
93.07027	29.1
94.07315	0.8
95.04370	0.7
95.04949	13.9
95.08049	0.5
95.08589	6.6
97.02871	5.9
97.05913	0.5
97.06512	8.4
97.10155	7.6
98.21507	0.8
99.04418	1.2
99.08051	1.4
103.03889	0.6
105.07010	10.8
107.04935	4.8
107.08575	20.8
108.08894	0.6
109.02831	0.8
109.06506	2.9
109.10145	4.5
111.04358	1.5
111.08067	6.5
111.11640	0.4
113.05935	0.7
115.05426	0.9
117.06985	2.9
119.04922	3.1
119.08558	10.5
121.06463	1.5
121.10129	8.0
123.08027	1.3
123.11652	1.3
125.05994	0.6
125.09558	1.7
127.03904	2.4
127.42387	0.4
128.06154	0.5
129.06990	5.0
130.07718	0.6
131.04825	0.4
131.08554	5.0
133.06439	1.6
133.10110	7.5
135.08015	1.0
135.11673	32.3
136.12045	0.6
137.05919	1.1
137.09544	1.7
137.13158	0.5
142.07729	0.8
143.08517	1.0
145.04892	1.4
145.10094	8.2
147.03200	0.7
147.04382	12.3
147.07997	2.0
147.11670	7.2
149.09593	3.6
151.11111	0.7
153.12709	0.8
157.10095	7.9
163.05957	1.7
163.07265	0.5
163.11150	4.8
165.12737	2.0
167.07022	1.8
175.11154	7.4
177.05333	0.4
181.12195	6.0
183.13692	0.4
184.07297	1.2
193.12215	23.6
199.13150	0.9
211.13255	24.6
212.13611	0.5
229.14308	0.5
255.15866	81.6
256.16254	2.0
267.15857	19.3
268.16275	0.5
273.07751	0.6
285.16907	19.8
286.17059	0.5
299.14920	0.4
301.16260	0.5
403.24722	0.5
421.25815	3.1
429.25879	0.6
447.27356	45.6
448.27576	1.8
460.76596	0.5
465.28406	100.0
466.28677	4.7
533.44122	0.4
573.33600	0.8
591.33252	0.5
609.32074	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	7.2
57.07065	2.6
67.05492	43.2
69.03416	2.6
69.07057	29.9
69.47813	18.2
69.48219	4.1
79.05486	39.6
81.03407	6.1
81.07043	57.0
83.04968	5.4
83.08596	12.2
85.06546	2.3
86.09695	3.4
89.10929	2.5
91.05466	62.0
93.07034	47.1
95.01311	8.7
95.04935	12.2
95.08585	32.9
97.06513	17.7
97.10134	4.1
98.21506	4.8
103.05444	2.9
105.07014	85.5
107.04966	11.8
107.08577	25.7
109.01424	2.1
109.06530	4.3
109.10134	11.6
115.05383	2.5
117.07003	21.0
117.90092	2.1
119.08568	50.2
120.65826	2.1
121.06503	4.5
121.10116	15.5
121.19799	2.3
123.08033	3.3
124.06640	2.2
129.06985	5.7
131.08562	29.5
133.10101	45.7
135.11684	11.4
137.09598	3.5
143.08543	4.2
145.10080	20.6
147.11653	28.8
149.09576	7.7
149.13231	6.4
157.10083	5.9
159.11678	14.1
161.13281	13.4
163.11079	4.8
163.14751	3.1
171.11697	7.5
173.13263	7.9
175.14729	6.0
177.12717	3.3
179.14293	10.6
183.11713	3.5
184.07323	9.4
185.13205	5.1
187.11157	5.1
187.14749	2.9
197.13177	2.7
199.14761	4.3
241.19498	17.7
247.20598	3.3
257.18906	7.2
259.20544	25.6
275.19989	52.0
276.72849	2.6
279.51990	3.0
283.06140	3.3
293.21078	8.0
315.23172	9.0
333.24188	55.9
349.23740	38.3
350.24008	3.4
513.35669	3.6
607.43475	100.0
608.43591	3.9
625.44678	15.1
784.09998	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	822.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	7.8
57.07066	2.1
65.03931	4.5
67.05495	83.3
69.03423	5.1
69.07058	24.7
70.06316	9.6
71.04975	6.8
76.82880	2.3
79.05481	53.6
80.15486	1.8
81.03413	6.6
81.06568	4.4
81.07046	80.0
83.04977	15.4
83.08619	8.2
85.02887	5.1
85.06538	5.7
86.09675	4.2
91.05470	54.0
93.07030	65.1
95.04973	10.6
95.08595	41.9
97.02874	2.4
97.06510	6.3
97.10161	3.2
99.08070	3.1
105.04501	2.2
105.07021	49.6
107.04951	7.0
107.08582	44.5
109.06495	7.0
109.10143	59.4
111.08082	4.5
117.06972	12.9
119.08560	19.5
121.06498	6.5
121.10137	17.9
123.04392	2.1
123.08040	5.1
123.11681	10.4
124.99995	2.9
129.06998	4.8
130.58015	1.8
131.08542	17.5
133.06496	5.0
133.10109	68.0
135.08092	4.6
135.11679	11.4
137.09572	3.7
143.08540	6.2
145.06438	2.4
145.10124	11.6
147.08009	3.5
147.11719	6.3
147.82077	1.8
149.09608	4.5
149.13229	5.8
151.11147	27.5
157.10124	4.2
159.11702	3.1
161.09613	9.3
161.13248	4.6
169.12270	4.3
171.11745	2.8
173.13269	5.2
175.11223	2.7
177.12700	1.9
184.07310	17.8
185.13162	2.1
187.14789	2.0
215.12695	3.7
243.21097	4.3
245.19026	3.9
251.12666	3.1
253.14330	98.5
261.22198	13.0
263.20016	2.7
273.18494	20.8
291.19531	24.9
292.19965	2.4
300.13672	2.3
309.20737	3.5
335.25769	100.0
336.26096	2.4
347.22250	9.4
356.44681	1.9
365.23154	41.0
365.27292	2.8
513.35461	3.8
529.35156	3.7
531.36755	41.1
607.43158	8.5
625.44556	71.8
626.44830	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	822.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	19.2
57.07066	1.5
59.04997	5.3
61.02922	2.3
65.03920	4.3
66.04208	0.9
67.05495	95.8
68.05814	1.4
69.03426	10.2
69.07059	43.0
69.35465	3.3
69.35892	6.3
71.01347	2.6
71.04985	10.5
71.99072	0.8
73.02898	1.9
79.05483	56.2
81.03407	87.6
81.07045	65.6
82.03757	1.4
82.07378	1.9
83.04971	15.3
83.08603	25.3
85.02898	7.5
85.06525	6.4
87.04465	3.2
91.05469	60.3
92.05792	1.1
93.07028	50.3
94.07378	1.1
95.01320	1.0
95.04958	43.8
95.08597	35.6
95.09220	1.2
96.04503	0.9
96.08914	1.0
97.02883	4.0
97.06515	15.6
97.10152	13.6
99.04441	2.5
99.08092	4.0
101.05972	1.3
103.03942	1.1
103.05450	1.4
105.07016	42.6
107.04944	16.3
107.08576	29.4
107.09285	2.0
109.02871	2.0
109.06494	8.8
109.10140	44.8
109.10892	2.1
109.45731	1.0
111.04429	3.2
111.08070	13.8
113.06007	1.5
115.05453	3.8
117.06998	15.2
119.04908	2.4
119.08567	36.9
121.06489	9.3
121.10114	21.5
123.04349	1.5
123.08067	8.5
123.11687	5.0
125.06014	1.3
125.09619	12.6
127.03902	2.8
128.06200	2.0
129.05482	2.2
129.06982	15.6
130.07758	1.1
131.08554	25.8
133.06493	7.0
133.10109	23.7
135.08025	5.8
135.11659	13.6
137.06067	1.1
137.09584	14.0
139.07542	1.1
139.11172	2.2
141.06972	2.6
142.07770	3.2
143.08530	7.1
145.06473	3.5
145.10107	15.2
147.04405	3.0
147.08028	6.4
147.11664	16.9
149.09605	26.2
149.13235	3.1
151.11171	4.1
153.09074	1.6
153.12737	1.4
155.08601	2.2
155.10640	2.8
157.08759	1.5
157.10091	14.6
159.08043	1.2
159.11693	8.8
161.06001	1.3
161.08461	0.9
161.09564	5.3
161.13242	2.5
163.11163	12.4
165.09108	1.6
165.12744	2.5
165.45210	1.0
169.10098	3.6
171.08012	2.0
171.11617	6.1
173.09624	3.3
173.11728	15.1
173.13260	3.7
175.11156	12.5
177.12740	3.1
179.14281	2.2
181.10130	1.2
181.12227	3.5
183.11723	2.7
184.14949	1.0
185.09557	1.3
185.13255	2.5
187.11121	2.3
187.13313	1.4
187.14839	1.2
189.09615	1.2
189.11220	6.2
189.12685	2.0
191.10687	2.7
193.12215	38.0
195.11778	2.0
195.13876	2.8
197.13298	1.9
199.11243	1.1
199.13235	2.2
201.12732	1.8
201.16393	1.4
203.10651	1.2
203.14349	1.6
205.12244	2.1
207.13737	1.3
209.11693	2.5
211.13193	6.6
212.27179	0.9
213.12782	1.8
213.14738	1.1
217.12227	0.9
217.15985	1.2
219.13771	2.2
223.13332	3.9
225.12854	1.6
225.14816	6.6
227.12695	13.4
227.14557	1.2
228.13264	0.9
229.14313	48.3
229.19308	1.6
230.14478	1.5
231.13826	2.0
235.13048	1.5
239.17944	1.5
241.14297	2.2
243.15883	6.2
247.20667	1.4
249.14760	4.7
253.14380	3.7
255.15796	5.5
257.18945	2.5
259.15356	2.3
267.15878	100.0
268.16232	3.7
269.17487	3.5
273.14670	1.6
273.18619	4.4
274.15778	0.9
275.20041	16.2
283.15344	2.7
285.16934	1.4
291.19501	8.3
293.21136	2.1
299.14819	1.0
299.18579	1.3
301.16656	2.2
309.16962	1.1
311.20029	1.6
315.18295	1.3
329.21072	4.7
343.22916	1.7
347.22153	2.0
349.23755	20.2
350.23981	1.5
355.22586	1.8
363.21637	1.5
365.23227	4.2
373.24155	1.0
383.24216	2.0
403.24594	4.9
421.25803	40.5
422.25851	2.1
429.26385	2.5
435.27335	5.5
437.25183	1.3
445.29510	3.7
447.27399	28.2
448.27542	1.4
449.30212	1.5
453.28580	1.6
459.27505	1.0
461.28937	4.8
463.30643	1.3
467.30893	1.7
477.28381	2.5
489.28195	1.7
539.33429	1.1
541.35199	47.7
542.35370	3.2
557.34491	4.1
559.36273	12.5
591.38916	2.1
680.92639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	23.4
57.07059	3.9
59.04988	5.6
61.02922	5.5
65.03944	2.8
67.05495	100.0
69.03409	7.8
69.07057	16.3
69.98512	2.3
69.98927	4.3
71.01330	2.4
71.04987	6.1
71.08635	1.4
73.02906	7.7
79.05486	38.0
80.06239	1.2
81.03405	26.8
81.07047	44.4
82.04196	2.5
83.01333	2.4
83.04967	20.7
83.08600	20.1
83.09043	1.8
84.02109	1.2
85.02892	19.0
85.06508	2.9
87.04453	7.3
91.03935	2.4
91.05467	27.9
93.07027	28.1
94.04161	1.4
95.04950	19.9
95.08596	17.5
97.02868	11.5
97.06513	10.8
97.10157	31.3
98.07294	4.6
99.04447	2.1
99.08072	3.2
100.56620	1.1
101.05994	1.8
103.03941	1.8
105.07021	15.3
107.04946	9.6
107.08585	20.7
109.02874	2.4
109.06496	6.1
109.10135	73.3
110.10501	1.5
111.04415	4.0
111.08076	7.7
116.04699	10.0
117.06987	6.1
119.08559	17.9
121.06492	2.8
121.10127	9.4
123.04422	1.2
123.08043	8.7
123.11663	1.2
125.09601	35.9
127.03866	2.8
127.11176	1.5
129.05466	31.1
129.07011	4.7
131.08548	8.2
132.09422	1.1
133.06462	1.2
133.10117	6.3
135.08029	4.3
135.11694	8.2
137.09637	5.0
142.07826	1.3
143.06992	7.5
143.10681	4.0
145.04912	1.3
145.06439	1.5
145.10126	8.0
147.08038	3.6
147.11676	5.3
149.02263	1.7
149.09573	7.3
153.09064	2.1
153.12781	5.6
155.08636	1.6
155.10646	5.1
157.08595	12.2
157.10097	4.4
158.05693	1.9
163.11145	16.3
164.11951	1.3
165.09085	1.2
167.10680	1.1
171.06523	2.4
171.10187	4.6
173.04393	2.3
173.09618	3.5
173.11711	26.2
173.13153	2.2
175.11137	3.2
181.12209	4.6
184.07300	2.1
185.11755	1.6
189.11205	6.8
191.10637	4.8
193.12228	8.4
199.09613	2.5
199.13268	20.3
199.14957	1.6
200.14055	3.2
201.14850	1.1
209.11702	14.9
210.12511	1.4
211.13280	3.7
217.14368	3.1
227.12747	15.2
228.13271	1.6
229.14311	58.2
230.14632	1.3
242.15128	1.3
255.15811	3.5
265.14401	1.4
267.15906	10.6
269.17526	3.2
283.15353	18.2
283.18542	2.5
284.16232	1.8
285.16928	2.2
301.16412	60.4
302.16620	1.5
311.18347	1.5
353.23230	1.4
371.24420	6.0
383.24207	10.2
399.23660	19.0
421.25931	2.5
425.25204	1.7
437.25290	5.4
438.26086	2.9
443.26297	1.5
455.26303	21.5
463.30222	1.7
465.64047	1.2
509.27689	5.1
527.28448	10.0
541.33746	8.8
543.36646	2.2
545.29639	3.8
553.33679	10.5
557.37952	1.2
607.34167	3.4
625.35809	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	822.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03174	0.4
57.03429	4.9
57.07056	1.3
59.04969	0.3
60.65061	0.3
61.02914	5.8
65.03924	1.2
67.05495	27.5
68.05837	0.6
69.03427	2.3
69.07057	8.8
69.96607	1.2
71.01339	0.4
71.04986	2.7
71.08604	0.5
73.02900	2.0
79.05480	15.8
81.03400	4.5
81.07044	34.6
82.07355	0.6
83.04971	3.4
83.08128	0.6
83.08608	8.7
85.02888	7.0
85.06540	2.0
87.04437	0.6
91.03951	4.1
91.05464	11.0
93.07030	25.3
95.04961	4.0
95.08593	10.1
97.02877	4.1
97.06521	5.7
97.10139	1.8
98.20818	0.4
99.04434	1.2
99.08074	1.4
103.05444	0.4
105.07013	6.8
106.20395	0.3
107.04939	1.8
107.08578	16.0
109.02858	0.7
109.06499	1.7
109.10133	4.1
111.04430	0.6
111.08047	3.3
113.05997	0.4
113.09652	0.3
115.05434	0.4
117.07001	5.7
119.04893	0.4
119.08560	4.2
121.06451	2.0
121.09296	0.7
121.10131	8.7
121.11014	0.5
123.04397	0.5
123.08051	1.4
123.11686	2.4
125.09589	1.0
125.37180	0.3
127.03905	2.2
127.07519	0.3
128.06213	0.3
129.05470	0.6
129.06995	2.3
131.08537	7.2
133.06456	0.7
133.10106	8.1
135.08032	2.0
135.11664	5.3
137.06010	0.4
137.09596	0.4
139.11198	0.5
141.06975	0.9
143.08531	1.6
145.04927	1.7
145.06474	0.3
145.10110	2.8
147.04350	0.5
147.08022	1.0
147.11659	2.3
148.59155	0.3
149.09616	1.5
149.13237	11.8
150.13652	0.3
151.11127	1.3
153.01862	0.3
155.08554	0.8
157.10074	1.5
159.08020	0.6
159.11658	7.0
161.09567	0.6
163.05981	2.2
163.11172	1.0
165.12727	0.3
167.07005	0.5
167.14285	0.5
169.10091	0.8
171.11652	1.0
173.09561	0.6
173.11789	0.4
173.13222	0.9
175.11192	0.7
177.12712	2.7
181.04945	0.4
181.10078	0.6
183.11615	0.7
185.13408	0.7
187.11139	0.6
189.11186	0.6
193.12253	1.2
195.11935	0.6
195.13757	6.8
195.15462	0.5
197.13248	0.7
209.11609	0.5
213.13004	0.3
213.14868	1.2
227.12788	1.0
229.14284	1.0
251.16345	1.6
253.14229	0.3
261.18588	0.4
265.14276	0.3
267.15869	1.2
269.17441	21.0
270.17709	0.4
271.16907	0.5
273.18387	0.4
275.20038	0.4
283.15488	0.9
285.16959	0.6
289.17960	0.7
291.19559	0.5
301.16415	0.7
325.25403	0.3
335.23474	0.5
337.23627	0.3
339.17807	0.4
343.26352	0.5
353.24792	1.6
363.21542	0.4
371.25760	1.4
389.26855	1.0
413.21631	0.8
445.29449	13.1
446.29599	0.5
463.30487	100.0
464.30966	4.2
465.28824	0.4
481.31445	1.4
487.30161	0.5
509.27908	0.4
529.31525	0.4
557.34497	1.2
571.32764	0.6
589.33551	0.9
596.24774	0.3
607.34564	8.0
625.34937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	4.4
57.07070	0.8
61.02915	3.4
65.03931	0.7
67.05494	26.1
68.05831	0.3
69.03421	0.7
69.07059	9.2
70.77789	0.5
71.01335	0.6
71.04982	2.4
71.08621	0.3
73.02913	1.7
77.03899	0.2
79.05481	14.0
81.03410	2.2
81.07043	34.2
82.07383	0.5
83.04974	3.4
83.08604	6.9
85.02895	3.8
85.06541	1.9
89.83643	0.2
91.03951	2.4
91.04881	0.3
91.05463	7.8
93.07030	26.4
94.07354	0.3
95.04958	3.1
95.08593	8.9
97.02882	2.1
97.06516	6.0
97.10147	1.0
99.04444	0.6
99.08067	1.8
105.04529	0.4
105.07014	3.2
107.04968	0.6
107.08577	15.6
108.08909	0.3
109.02838	0.2
109.06497	1.2
109.10138	2.4
111.08060	4.1
111.11726	0.5
113.05982	0.2
113.09646	0.3
113.31104	0.2
115.03986	0.2
117.06988	3.7
119.08578	1.5
121.06496	0.7
121.10127	9.9
123.04356	0.2
123.08076	0.5
123.11703	1.3
125.09609	0.8
127.03926	0.8
127.07559	0.3
128.06218	0.2
129.05466	0.2
129.06979	0.5
131.08542	4.2
131.09491	0.2
133.06424	0.3
133.10110	4.2
135.08060	1.1
135.11670	5.1
137.09624	0.6
139.07498	0.3
139.11177	1.2
143.08592	0.3
144.09306	0.2
145.04955	0.7
145.10118	0.8
147.04381	0.7
147.11652	1.1
149.09628	1.1
149.13237	18.1
150.13574	0.3
151.11177	0.5
153.09058	0.2
155.08569	0.2
157.10092	0.4
159.11668	7.3
159.13007	0.4
161.09674	0.3
162.41649	0.2
163.05972	1.0
163.11162	0.6
167.14311	0.5
173.09572	0.3
173.11734	0.3
177.12714	3.4
178.33162	0.2
193.12323	0.4
195.13803	4.8
211.13197	0.2
213.14868	0.8
227.12752	0.4
229.14302	0.3
251.16443	0.5
253.14145	0.2
255.15593	0.2
267.15939	0.6
269.17432	41.6
270.17648	0.9
275.20197	0.3
283.15378	0.6
285.17032	0.3
291.19336	0.2
299.14893	0.8
349.23895	0.5
445.29874	0.3
453.25107	0.2
463.30472	100.0
464.30823	4.2
477.28549	0.2
559.01581	0.2
573.34125	0.4
607.34393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03176	0.5
57.03431	6.5
57.07066	1.3
59.04991	1.3
59.12075	0.4
61.02918	4.7
65.03932	1.2
67.05495	32.6
68.05823	0.5
69.03426	2.1
69.07060	10.5
70.06561	0.3
70.80811	0.9
71.01340	0.7
71.04982	3.0
71.08618	0.6
73.02901	1.9
73.06553	0.3
77.03938	0.3
79.05482	19.1
80.05790	0.4
81.03410	5.8
81.07047	41.4
82.07378	0.5
83.04971	4.5
83.08611	8.8
85.02890	7.2
85.06538	3.1
87.04462	0.8
91.00002	0.3
91.03951	3.3
91.05470	14.0
93.07031	30.2
94.07347	0.5
95.04966	4.8
95.08595	9.8
96.08917	0.5
97.02875	4.0
97.06512	6.2
97.10151	2.9
99.04430	1.2
99.08095	1.8
101.06026	0.3
103.05435	0.3
105.07024	5.8
107.04945	2.3
107.08582	18.0
109.02865	1.0
109.06505	1.7
109.10138	5.8
111.04457	0.6
111.08068	3.7
113.05965	0.4
113.09628	0.3
115.03951	0.3
116.04637	0.4
117.07001	5.2
119.04921	0.5
119.08567	3.8
119.95084	0.3
121.06485	1.7
121.10129	9.0
121.11015	0.5
123.08051	1.5
123.11687	2.0
125.05903	0.5
125.09636	2.3
127.03885	1.8
129.05472	1.5
129.06990	1.2
131.08539	5.5
133.10118	7.6
133.11084	0.6
135.08046	1.4
135.11667	6.5
137.09619	1.1
139.07527	0.4
139.11159	0.9
143.08554	0.6
145.04945	1.2
145.06525	0.4
145.10106	2.6
147.04376	1.5
147.08090	0.4
147.11673	2.1
149.09578	1.6
149.13240	13.5
150.13641	0.4
151.11151	0.9
153.09065	0.7
153.12750	0.7
157.08638	0.4
157.10101	1.1
159.11668	6.7
161.09579	0.4
161.13199	0.5
163.06015	1.5
163.11122	2.7
167.14360	0.4
173.09651	1.0
173.11763	0.8
173.13145	0.3
175.11086	0.3
177.12717	3.2
181.12271	0.9
184.07333	0.5
189.09108	0.4
189.11232	0.6
191.10663	1.2
193.12236	1.3
195.13797	6.5
195.16512	0.4
199.13255	0.7
209.11687	1.9
211.13289	0.9
213.14879	1.0
225.11435	0.3
227.12682	3.1
229.14297	2.6
241.14726	0.3
251.16428	0.4
255.15944	0.7
265.14383	0.5
267.15842	1.4
269.17441	31.8
270.17773	0.9
275.20126	0.9
283.15344	3.0
285.16946	0.5
287.05359	0.3
291.19418	0.4
299.14856	0.6
301.16397	3.0
323.60275	0.4
349.23889	0.6
365.23279	0.5
399.23700	0.5
413.21512	0.6
421.25613	0.4
435.41922	0.3
437.25427	0.9
439.27036	0.4
443.26300	0.8
445.29431	1.1
455.26254	1.8
461.29172	0.4
463.30493	100.0
464.30945	4.3
471.47916	0.3
475.26859	0.5
493.27350	0.4
503.33853	1.1
509.27417	1.4
527.28412	1.9
541.35168	0.6
607.19122	0.4
607.34369	2.6
625.35425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03181	1.4
57.03433	19.2
57.07046	0.9
59.04993	0.9
61.02918	86.5
65.03945	1.2
67.05497	34.5
69.03421	29.7
69.07063	7.8
69.63234	0.7
69.63580	6.7
71.01334	3.8
71.04993	5.8
73.02907	23.1
75.04463	1.4
79.05048	1.6
79.05481	21.9
80.36823	0.9
81.03410	23.5
81.07047	32.9
82.38065	0.8
83.04967	6.1
83.08601	5.1
85.02892	100.0
85.06535	2.4
87.04450	3.0
88.07665	0.8
91.03942	55.7
91.05470	14.9
93.07031	25.6
95.04955	5.0
95.08595	24.6
95.09226	1.0
97.02881	75.3
97.06516	2.3
97.10152	2.7
99.04447	12.8
99.08110	0.8
101.02367	5.8
103.03948	9.8
105.07018	12.7
107.04947	1.9
107.08577	14.2
107.70579	1.0
109.02871	13.8
109.06525	2.6
109.10140	12.0
111.04414	3.5
111.08043	1.8
115.03918	6.5
117.05473	3.0
117.06990	5.6
119.08573	9.4
121.06501	1.7
121.10126	12.0
123.04379	1.9
123.08024	1.4
123.11704	4.8
125.09592	1.0
127.03903	38.9
129.05420	4.3
129.06989	1.8
131.08548	9.5
133.06511	1.2
133.10107	8.6
135.08031	1.5
135.11673	9.2
137.05948	1.3
137.09674	0.8
137.13278	2.4
139.03844	1.3
141.05460	0.9
143.08540	2.4
145.04944	30.0
145.10129	7.8
147.07936	1.2
147.11671	7.4
149.02299	2.8
149.09619	1.1
149.13217	6.3
153.12740	1.6
155.06947	1.0
155.08508	1.2
157.10069	2.7
159.06516	2.1
159.11668	6.3
161.09650	1.6
161.13243	4.2
163.05992	22.9
163.14812	2.8
169.10158	1.6
171.06403	2.4
171.07846	0.9
171.11673	2.9
173.13181	5.0
175.11151	1.9
175.14812	2.0
177.12645	2.1
177.16374	1.0
183.06465	8.8
183.11639	1.0
185.13237	1.5
187.14749	2.1
193.04987	1.5
195.11719	0.9
199.14796	1.6
201.07515	7.1
201.16331	2.0
204.08772	1.0
219.08534	1.4
228.22984	1.1
229.14204	1.1
243.21164	5.3
259.20511	1.8
261.22104	15.7
267.16046	1.1
271.08270	1.4
273.22064	1.5
277.21707	1.5
279.23190	1.0
285.21997	1.5
303.23203	2.3
313.21432	0.9
315.23129	2.4
317.24564	2.0
327.23068	2.3
333.24390	1.0
335.25751	53.0
336.26144	1.1
341.24643	1.4
351.22885	2.0
363.25195	3.8
365.26923	1.2
369.24222	5.8
377.26807	4.4
387.25424	1.6
389.26474	1.2
405.26254	1.7
419.27777	2.8
423.27411	1.1
443.27786	6.3
458.11838	0.9
461.28799	6.6
462.29016	1.2
472.01321	0.9
479.30057	12.4
497.30881	3.6
821.41241	1.3
822.36029	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	0.9
59.07365	0.6
60.07879	0.3
60.08158	5.2
67.05482	0.7
70.12137	0.9
71.07365	3.1
84.54482	0.3
86.09696	29.8
91.05429	0.3
98.21222	0.8
98.98460	2.5
104.10725	1.7
104.23095	0.3
108.29039	0.3
124.99992	19.7
143.01062	0.4
184.07320	100.0
185.07690	0.9
194.11145	0.3
222.08867	0.4
447.31964	0.4
570.74597	0.4
650.43787	7.0
678.46149	0.9
820.53540	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	821.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	2.3
69.03406	4.1
69.70936	5.3
69.71366	3.7
71.04974	1.4
73.02900	3.2
79.05471	1.5
81.03400	14.5
84.66168	1.1
85.02888	5.2
89.59545	1.3
90.35289	1.3
91.05468	2.8
93.07037	2.1
94.06543	5.1
95.04980	3.7
97.02853	6.1
99.04465	2.1
108.04456	7.5
108.08102	19.0
109.02861	12.9
109.06489	1.4
110.06039	1.7
111.04438	1.5
117.60368	1.4
118.06538	2.6
120.08089	4.8
121.06519	1.3
122.05995	6.0
123.04337	1.2
124.07575	11.5
127.03929	6.2
129.07088	1.2
134.05988	2.9
136.07559	64.3
137.05923	3.4
138.09102	1.9
142.08630	4.0
144.20685	1.3
146.05986	8.6
146.29547	1.3
148.07565	6.1
150.09200	1.5
152.07036	2.1
153.01802	1.9
154.08624	6.8
162.05466	2.3
162.61703	1.2
163.47557	1.2
164.07060	15.9
166.08571	2.3
167.05708	1.3
167.07072	2.8
168.06622	2.0
170.09712	1.5
172.03903	3.3
173.07144	1.3
173.10706	2.8
174.05496	3.6
181.08614	1.2
182.09633	1.6
183.09174	1.9
185.10693	2.7
195.09247	1.7
196.09731	2.1
196.11313	2.6
197.10713	4.3
198.07753	2.6
198.11177	1.3
199.08606	6.3
199.12218	2.2
200.09119	1.3
201.10150	4.4
204.06453	7.1
206.08299	4.9
209.10490	1.2
210.09320	1.7
211.08618	30.2
211.11995	5.8
212.09172	7.3
213.06789	1.4
213.10191	20.5
214.10907	6.1
215.08087	1.9
215.11703	2.5
220.09961	1.4
221.10669	6.1
222.09239	3.0
223.08673	5.6
223.12166	1.6
224.09271	3.9
224.10921	3.2
225.10178	28.6
226.08858	2.0
226.10789	7.8
227.08179	13.3
227.11711	12.5
228.12369	2.7
229.09665	3.5
229.13336	2.0
237.10216	6.0
238.08653	2.3
238.10945	3.7
239.08144	7.1
239.11736	36.8
240.08682	7.6
240.12543	2.8
241.09692	19.5
241.13316	16.2
242.10464	5.3
242.22908	1.2
243.11234	7.3
245.12862	1.5
249.10233	5.1
250.08537	2.0
250.10924	1.7
251.07979	6.3
251.11818	5.3
252.08572	7.4
253.09700	33.3
253.13583	1.6
254.10416	9.8
255.07585	1.4
255.08376	1.5
255.11278	20.3
256.12067	5.9
257.12796	6.2
259.14417	8.0
265.09729	4.8
266.10562	2.3
267.07761	4.1
267.11258	56.9
268.08350	1.3
268.11899	5.2
269.09201	7.2
269.12808	28.5
269.15814	1.7
270.10098	1.5
270.13348	2.1
271.10712	4.2
271.14365	2.9
272.11478	2.0
273.09305	1.2
273.12180	6.2
275.13934	2.0
277.09613	2.5
279.08282	1.2
279.11142	5.8
281.09204	11.5
281.12741	5.4
282.09897	4.5
283.10742	13.6
284.11502	3.3
285.09082	2.1
285.12305	26.1
286.13306	1.3
287.10388	3.2
287.13855	16.1
293.09155	4.3
294.09848	1.4
295.10733	45.7
296.11459	3.1
297.09030	2.5
297.12296	25.8
297.15662	1.7
299.10291	3.8
299.13876	9.3
300.11023	2.0
301.11719	7.4
303.13559	9.7
305.15085	7.1
307.10745	3.1
309.12384	2.9
311.10120	4.5
313.11761	48.6
314.12302	2.3
315.13373	19.0
317.14938	3.6
323.10193	19.5
324.10886	1.6
325.11804	12.4
327.13336	4.1
329.11203	2.2
337.11725	1.5
341.11322	21.0
342.12030	4.4
343.12875	13.4
353.11240	1.7
355.12823	16.9
356.13351	1.5
357.14401	6.6
371.12210	2.5
373.13910	21.1
374.14386	1.4
375.15466	1.8
383.12320	4.4
383.16595	1.8
385.13992	5.5
387.15195	1.6
393.14459	2.5
405.14493	1.6
409.14236	1.9
411.15387	3.4
414.14157	1.4
415.14923	8.1
421.13852	5.1
423.15164	6.6
427.14948	2.0
429.16669	3.7
432.15634	1.4
439.14941	11.3
441.16370	5.5
443.14618	2.5
445.15900	4.1
449.13464	7.6
451.14902	4.4
457.16049	25.1
458.16962	1.9
459.17258	3.1
462.16638	2.1
467.08298	2.2
467.14456	23.5
469.16074	10.4
473.15137	2.0
474.16296	2.6
481.15955	8.8
483.17392	3.7
485.15491	44.0
486.15945	1.8
487.17117	16.1
499.17059	25.2
500.17825	1.5
501.18607	9.9
503.16348	3.8
505.18243	8.4
506.18713	1.8
517.18152	100.0
518.18396	2.3
519.19727	11.3
535.19092	4.3
602.20740	1.7
627.24573	11.1
641.25201	1.9
652.25049	3.1
659.26733	3.5
668.24170	4.0
707.26770	2.8
725.27979	3.1
727.29498	2.3
735.26007	5.1
745.31006	9.7
753.27765	12.9
761.29175	3.6
767.28601	2.8
771.28442	14.5
772.28723	1.7
785.28998	4.4
789.29608	70.2
790.29382	3.7
803.30762	9.2
821.32330	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	818.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.6
57.07079	0.5
59.04977	0.6
61.02916	5.0
65.01785	0.4
65.03931	1.4
67.05495	14.5
67.05866	0.7
67.58686	0.4
69.03417	3.0
69.07058	4.3
71.04976	1.1
71.62315	0.7
71.62714	0.8
73.02892	1.6
79.05486	14.1
81.03410	2.4
81.07044	13.1
83.04964	2.3
83.08607	10.6
85.02894	5.7
85.06537	1.5
91.03947	2.8
91.05470	12.1
91.05898	0.3
93.07029	8.5
95.04948	2.9
95.08587	5.5
97.02888	3.3
97.06515	1.4
97.10157	19.1
99.04435	0.6
101.09593	0.5
103.05456	7.9
105.04498	0.5
105.07022	11.0
106.07322	0.5
107.04943	2.8
107.08580	9.8
109.02876	0.8
109.06495	1.7
109.10142	4.2
111.04421	0.7
111.08062	1.6
113.06008	0.5
115.05434	2.8
117.07005	21.4
119.04924	0.8
119.08562	6.1
121.06491	1.7
121.10123	2.0
123.08036	2.0
125.09612	16.6
127.03917	1.5
128.06212	1.8
129.06989	8.9
131.04890	1.5
131.08548	15.4
131.09506	0.9
133.06445	4.0
133.10110	2.9
135.08014	3.4
135.11667	1.1
137.05949	0.7
137.09590	0.8
141.06985	4.8
142.07751	0.8
143.04974	0.6
143.08522	5.5
143.10619	0.6
145.04921	0.8
145.06465	4.4
145.10104	6.1
147.04404	1.0
147.08038	1.6
147.11688	1.0
149.09563	2.2
153.01808	2.3
153.06920	0.5
153.09093	1.9
153.12631	0.5
154.07797	0.6
155.08530	5.2
156.09351	0.8
157.06532	2.2
157.10043	2.3
159.08032	1.9
159.11711	1.5
161.06017	0.6
161.09644	0.8
161.13319	0.6
161.33443	0.4
163.06046	1.1
163.07480	0.4
163.11224	1.1
165.06906	0.7
165.12708	0.5
167.07240	0.6
167.08519	2.1
168.09288	0.5
169.10114	4.8
171.08069	2.0
171.10220	0.9
171.11595	3.3
173.09633	1.6
173.11824	0.5
173.13235	1.2
175.07515	0.7
175.11160	1.0
179.08537	0.9
180.09052	0.5
181.10107	1.3
182.10875	0.6
183.08141	0.5
183.11714	1.3
185.09550	0.9
185.13266	1.5
187.11224	0.9
187.14809	5.8
189.11185	8.5
189.12689	0.7
193.10161	1.1
193.12163	0.6
195.08139	0.9
195.11707	1.9
197.09604	0.6
197.13210	7.4
199.11203	1.2
199.14810	0.6
205.10156	0.7
207.11665	0.9
209.13263	1.1
211.11241	0.8
211.14940	0.5
213.12733	1.7
215.14294	21.6
221.13191	1.0
223.11179	1.4
223.14911	0.6
225.12865	0.8
225.16295	0.4
227.12689	11.5
233.15352	1.2
237.12741	1.3
239.14426	1.0
241.12222	1.4
245.13847	1.3
251.14258	0.8
255.13750	0.9
257.15378	0.8
269.15295	0.9
271.16946	1.2
272.56320	0.4
273.14896	1.1
321.21997	1.0
331.20657	0.8
339.23099	1.7
349.21524	3.9
357.23981	0.5
367.22662	7.5
370.40518	0.5
385.23700	5.0
403.24896	2.4
423.25348	0.9
425.00479	0.5
441.26337	41.0
442.26685	1.4
459.27359	100.0
460.27713	3.7
477.28424	12.9
478.28500	0.8
520.53540	0.5
567.29254	0.6
603.31091	0.7
621.32581	1.0
768.99219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	16.6
57.07049	4.4
61.02909	2.2
65.03925	5.7
67.05495	100.0
69.03410	3.3
69.07056	28.9
71.04972	3.6
71.21429	6.3
79.05482	76.6
79.73785	2.1
81.03391	4.2
81.07043	87.3
83.08609	12.9
84.02031	2.2
85.02910	2.6
85.06525	4.9
91.05465	69.7
92.94613	2.7
93.07029	98.6
95.04982	10.3
95.08591	70.1
97.02892	2.7
97.06516	3.9
97.10147	5.4
98.21561	2.6
105.04488	2.7
105.07019	69.7
107.04974	3.7
107.08578	49.4
109.06499	4.1
109.10134	28.0
111.08025	3.0
113.09659	2.5
117.06998	27.3
119.08566	54.0
121.10122	42.4
123.08038	3.9
123.11697	6.5
128.06224	2.6
129.06985	12.5
131.08556	35.8
133.10107	52.7
133.11072	4.0
135.08055	3.8
135.11671	26.0
137.13260	3.4
143.08536	13.7
145.10114	23.5
147.07928	2.3
147.11652	40.2
147.12787	3.3
149.09561	2.7
149.13232	14.3
157.10072	10.5
159.11658	22.9
161.13234	25.1
163.14793	5.7
169.10225	2.8
171.11621	12.9
173.13214	19.1
175.14781	10.1
178.65182	2.1
181.10081	2.7
183.11682	3.5
184.07324	6.2
185.13235	9.9
187.14807	5.9
189.16336	3.0
197.13258	2.5
199.14818	8.0
201.16446	3.1
213.16382	3.0
231.20970	4.5
232.04745	2.3
241.19498	21.8
243.21140	2.8
257.18918	9.0
259.20523	55.8
261.22073	13.0
267.19763	2.3
315.23047	4.1
331.22589	3.2
333.24222	45.4
335.25739	75.5
337.27243	7.2
351.25342	2.3
427.33246	2.6
503.24664	2.8
519.41608	4.3
537.42200	2.7
593.44922	12.7
611.46564	59.5
701.47424	3.9
719.48187	3.4
737.49170	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	808.467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	24.2
57.07059	2.6
59.04978	4.1
60.93091	1.4
61.02905	5.1
65.03909	4.4
67.05495	100.0
68.05810	1.9
69.03416	11.0
69.07059	41.0
71.04979	9.3
71.35712	2.7
73.02901	4.6
73.95726	1.3
79.05482	62.2
79.06197	2.3
81.02912	1.7
81.03401	52.9
81.07045	88.6
81.36691	1.3
82.04159	2.2
83.04967	25.5
83.08608	30.6
85.02892	21.0
85.06522	6.0
86.09671	4.6
91.05463	65.4
93.07028	59.4
93.07615	3.4
95.04950	34.2
95.08595	44.3
96.08897	2.1
96.92457	1.4
97.02879	9.5
97.03412	2.0
97.05965	2.2
97.06516	20.5
97.10155	16.0
98.07302	4.3
99.04472	2.9
99.08082	4.1
101.05975	2.1
103.03951	1.8
103.05484	2.2
105.07014	44.3
107.04939	18.5
107.08575	37.4
109.02865	3.1
109.06508	16.1
109.10139	50.8
111.04405	3.2
111.08055	16.4
113.06004	2.6
115.05408	3.3
116.04678	6.5
117.06987	16.4
119.04910	3.2
119.08563	41.6
121.06479	5.8
121.10122	24.6
122.42815	1.4
123.08077	10.3
123.11693	8.7
124.99867	1.8
125.05975	2.9
125.09603	17.3
125.73970	1.5
127.03885	4.7
127.07495	1.9
127.11134	1.8
128.06194	2.0
129.05470	19.9
129.06950	14.6
130.07713	1.8
131.08542	30.6
133.06467	4.1
133.09102	2.0
133.10107	33.8
135.08006	6.7
135.11670	12.4
137.05936	4.5
137.09581	15.1
139.11177	2.2
141.06912	1.8
142.07745	3.3
143.06996	3.8
143.08556	5.4
145.06380	2.1
145.10110	18.2
147.08035	6.7
147.11665	25.9
149.09599	20.5
149.13268	8.5
151.11142	5.6
153.01791	2.5
153.09064	3.3
155.08568	1.5
155.10654	1.8
157.08582	10.1
157.10091	19.2
159.07964	1.5
159.11667	11.8
161.09616	4.5
161.13200	4.5
163.11136	12.9
165.09120	2.2
165.12791	3.5
167.07024	6.6
169.10130	2.1
171.06456	2.4
171.10130	4.5
171.11630	4.4
173.09583	3.3
173.11711	15.4
173.13248	4.9
175.11130	12.5
177.08936	1.7
177.12721	6.2
179.14297	3.6
181.12218	2.2
183.11671	1.9
184.07315	15.2
185.11601	1.5
187.11180	2.4
187.14809	1.5
189.11205	8.4
191.10606	2.6
193.12207	40.1
195.13792	3.6
199.13240	9.6
199.14848	1.9
201.12627	1.5
206.25572	1.7
209.11655	5.3
211.13255	46.7
211.15247	2.5
217.16075	1.6
227.12680	14.7
229.14297	31.5
229.19383	2.0
239.17955	2.3
243.15727	2.6
255.15851	2.2
257.18927	6.0
267.15857	32.5
268.16052	1.8
269.17432	22.0
273.18466	4.1
275.17224	2.9
275.20010	35.5
283.15314	9.7
284.16095	1.6
285.16895	32.4
286.17233	1.7
291.19473	4.2
293.21027	4.1
299.19333	1.4
301.16406	42.6
323.18710	1.9
324.39111	1.5
331.22665	2.5
349.23727	30.6
350.23804	1.8
353.23248	1.7
365.23041	3.8
367.24710	8.5
371.24289	3.3
373.18619	3.3
383.24115	8.8
393.26288	2.8
411.27283	3.4
421.25851	9.8
423.27380	14.9
431.27795	2.4
435.27704	1.8
439.26865	37.4
440.26883	2.0
449.28879	4.9
455.26315	14.4
461.28677	6.3
463.30960	1.9
477.28305	8.6
479.29837	14.4
495.29474	21.2
503.33267	1.7
541.35199	11.6
557.34070	4.7
558.35730	2.1
559.36206	25.8
560.35767	2.8
575.35779	30.6
576.35553	2.5
577.37347	8.1
593.36731	18.3
639.33643	2.4
809.35889	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	806.5394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	6.7
60.67206	1.0
61.35549	1.0
65.03953	1.4
67.05495	37.1
69.07056	20.9
69.29478	1.2
69.29815	12.6
71.04985	1.5
72.74047	0.9
79.05483	30.8
81.03413	4.3
81.07043	49.2
83.04972	2.8
83.08589	5.9
85.06523	1.2
86.09689	4.6
91.05467	34.9
93.07030	32.3
95.01328	3.9
95.04958	5.8
95.08596	32.8
97.06528	12.6
97.10146	2.6
102.14416	1.0
105.07018	42.1
107.04937	9.6
107.08582	17.0
109.06499	3.7
109.10133	10.4
113.09577	1.3
117.06998	9.3
119.08562	23.5
121.06483	1.3
121.10133	13.5
122.96304	0.9
123.08033	1.9
123.11694	2.4
124.99994	4.1
128.96153	1.0
129.06993	1.5
131.08551	13.3
133.10112	23.5
133.34302	1.0
135.08032	2.2
135.11674	6.7
137.09573	1.8
141.06976	1.2
143.08540	1.8
145.10089	9.7
147.11661	8.3
149.09581	2.5
149.13254	3.6
155.08568	1.4
157.10104	1.4
159.11679	5.9
161.13249	3.8
163.11179	1.1
169.10017	1.3
171.11620	1.5
173.13225	2.2
177.12675	2.5
179.14287	6.6
183.11662	1.4
184.07286	19.0
202.73679	1.0
211.92322	1.0
219.17351	3.1
261.21945	1.7
267.15897	1.2
275.20026	25.3
276.20224	1.4
278.73300	1.0
279.15460	1.3
293.21115	2.1
298.01108	1.0
298.52856	1.0
335.25760	53.7
336.26071	2.6
349.23682	14.1
454.85342	1.0
609.45020	100.0
610.45325	8.4
728.46985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	25.7
57.07061	1.5
59.04977	3.3
61.02922	5.2
65.03923	3.4
67.05492	88.9
69.03416	9.6
69.06717	1.5
69.07060	20.0
70.14008	3.2
71.01330	2.2
71.04982	8.3
73.02891	3.2
73.33240	0.8
77.03888	1.3
79.05481	44.6
81.03402	82.5
81.07040	49.9
82.03725	1.1
83.04965	25.9
83.08602	35.6
85.02892	35.8
85.06522	5.0
87.04467	4.9
91.03921	1.8
91.05465	48.4
93.07025	30.4
95.04954	34.0
95.08590	22.7
97.02873	8.3
97.06505	9.6
97.10151	18.5
98.20701	1.3
99.04453	1.5
99.08069	3.0
103.03931	2.0
103.05414	1.1
105.07014	32.6
107.04940	13.2
107.08582	17.0
109.06490	8.9
109.10137	62.4
111.04396	4.6
111.08057	17.3
111.11681	1.1
111.57548	0.9
113.05978	2.7
115.05457	1.1
117.06990	4.3
119.04913	1.4
119.08556	27.3
121.06487	3.0
121.10117	13.5
123.04451	1.1
123.08066	5.7
123.11670	3.1
125.05913	1.3
125.09612	15.5
127.07527	1.1
128.06209	1.1
129.05449	3.4
129.06981	13.9
131.08545	19.1
133.06465	3.1
133.10110	17.6
135.08049	1.9
135.11691	5.3
137.09586	6.2
142.07729	4.4
143.08588	1.3
143.10657	2.1
145.10094	7.6
147.07991	5.4
147.11667	18.3
149.09595	6.8
151.11157	1.6
153.12706	4.2
155.10646	2.6
157.10091	18.9
158.05704	1.0
163.11151	12.2
165.12743	4.5
173.09474	1.9
173.11707	19.8
175.11159	20.6
176.11551	0.9
181.12193	3.6
184.32465	1.1
189.11177	1.1
191.10629	3.1
193.12209	62.8
194.12561	0.9
199.13237	6.8
209.11711	7.5
211.13249	100.0
212.13579	1.3
217.14261	1.1
220.33264	0.9
227.12749	7.8
229.14305	53.0
249.14832	1.6
253.14375	1.7
255.15927	1.7
265.14310	1.6
267.15869	31.2
283.15378	7.1
285.16916	75.8
286.17200	1.8
291.19666	0.9
301.16391	16.8
335.21939	0.9
383.21860	1.4
399.23727	18.5
409.25671	3.3
421.25772	13.7
427.26700	5.0
439.26846	50.0
475.26816	1.3
476.26944	1.1
493.27722	5.7
511.29047	9.6
529.29785	2.7
591.35034	3.3
609.36163	46.3
610.36249	2.3
724.88544	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	24.2
57.07066	4.2
59.04991	3.1
60.99207	1.1
61.02915	8.4
65.03921	4.9
67.05495	100.0
69.03420	15.1
69.07059	59.4
69.07447	2.1
70.04173	1.1
70.67973	3.6
71.01347	3.4
71.04995	6.6
73.02893	6.9
77.03931	1.1
79.05483	62.8
80.05845	1.0
80.06264	1.1
80.45639	0.9
81.03408	29.9
81.07046	70.4
82.04182	5.9
82.89764	0.9
83.04968	19.6
83.08607	21.3
84.05793	1.4
85.02888	11.4
85.06535	4.7
87.04447	1.5
90.66410	1.0
91.03967	3.1
91.05470	67.7
91.73554	1.1
93.07028	57.9
94.07769	1.3
95.04356	1.6
95.04956	30.8
95.08594	48.1
96.05758	1.4
97.02877	9.2
97.06525	25.0
97.10156	21.3
98.07310	9.0
98.20690	1.0
99.04456	2.1
99.08094	2.8
100.05210	1.5
101.05994	1.6
103.05453	1.6
105.04544	1.2
105.07018	44.3
107.04945	18.3
107.05617	1.9
107.08583	33.8
109.02876	1.9
109.06496	8.5
109.10142	46.4
111.04491	5.1
111.08072	11.8
113.06010	2.6
113.09653	1.4
115.05457	1.8
116.04702	12.6
117.05479	1.2
117.06995	15.6
119.08571	36.5
120.05774	1.1
121.06461	9.1
121.10134	16.6
121.38900	1.1
123.04425	1.4
123.08032	13.0
123.11692	3.3
125.09615	25.5
125.10548	1.8
127.03926	3.4
127.11158	3.0
128.06235	1.9
129.05472	32.0
129.06953	9.6
130.07808	2.2
131.08549	22.4
132.09309	1.4
133.06474	3.5
133.10114	31.0
135.04466	1.6
135.08044	9.0
135.11679	15.3
137.09596	18.8
139.07584	1.7
139.11188	1.8
141.06960	1.8
141.09088	1.2
142.07785	1.7
143.07022	7.6
143.08562	5.8
145.06502	2.5
145.10098	18.4
147.08038	6.4
147.11668	14.4
149.05942	1.2
149.09598	24.6
149.13251	4.0
150.10350	1.2
151.11163	4.8
153.09126	2.6
153.12733	1.8
155.10646	3.7
157.08595	15.2
157.10118	9.4
158.05725	3.0
159.11687	9.9
161.09648	3.0
161.13217	7.3
163.11163	17.8
164.12001	1.0
165.09059	2.4
165.12770	2.0
169.10123	3.1
171.06493	2.5
171.10141	6.8
171.11714	5.0
173.09583	2.5
173.11731	18.0
173.13290	4.7
175.11130	8.4
177.12729	4.5
179.14308	4.4
181.10094	1.3
181.12199	1.9
183.11687	2.9
185.08116	1.6
185.11723	1.7
185.13193	2.0
187.11212	2.5
187.14833	2.0
189.11224	8.0
189.12625	2.2
191.10692	2.9
192.04185	1.2
193.12238	11.4
195.13704	2.6
197.13316	1.7
199.13237	11.3
199.14761	1.4
200.14053	2.5
201.14787	1.9
209.11778	6.9
210.12474	1.4
211.13188	5.4
213.11115	1.3
215.18016	1.2
217.16005	1.4
223.13181	2.2
227.12761	15.2
229.14297	17.8
229.19464	3.1
233.15382	1.8
239.17973	3.8
243.15868	1.9
245.18918	1.6
247.20461	3.9
251.16594	1.4
253.14342	2.2
255.15945	4.4
257.18985	8.0
258.19318	1.0
263.20132	1.2
267.15900	10.0
269.17474	2.6
273.18564	5.9
275.20026	38.3
279.15826	1.1
283.15408	7.1
284.15918	1.6
285.17035	3.9
291.19522	11.8
293.21060	4.5
299.15063	1.2
301.16412	65.1
311.22162	1.7
326.24503	2.2
347.22241	2.0
349.23660	44.0
363.21689	1.3
365.23212	5.3
367.02719	1.1
367.24622	1.2
383.24088	3.3
397.22183	6.9
421.25552	1.3
435.27130	1.3
439.26944	2.9
440.10876	1.1
455.26379	13.0
479.30005	7.3
495.29764	2.0
518.18799	1.2
521.50238	1.2
541.35205	2.7
557.34070	2.7
558.35803	1.4
574.33899	1.3
575.35718	41.2
576.36151	1.8
593.36755	8.2
609.35852	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99976	0.9
57.03428	11.6
57.07049	2.5
59.04960	1.3
61.02914	1.9
65.03928	3.2
67.05495	60.1
69.03414	6.7
69.06714	1.3
69.07059	17.4
70.24511	0.9
70.82234	1.6
70.82574	1.2
71.01348	1.1
71.04992	7.7
73.02905	2.1
79.05481	34.4
81.03407	78.7
81.07047	58.9
82.07361	1.5
83.01340	1.2
83.04966	14.1
83.08607	23.3
85.02903	4.8
85.06524	6.9
87.04463	1.2
88.99235	0.9
91.05465	58.1
92.05796	1.2
93.07030	40.6
94.07345	1.1
95.04347	1.9
95.04954	31.9
95.08593	25.9
96.08935	1.3
97.02869	4.1
97.06528	8.0
97.10167	6.0
99.04436	2.7
99.08074	2.8
103.05463	1.7
105.04530	1.0
105.07019	47.2
107.04958	13.6
107.07848	1.9
107.08582	38.6
109.02821	1.9
109.06511	9.5
109.10146	52.0
110.10473	1.0
111.04421	4.3
111.08082	7.9
113.06010	1.5
115.05421	2.6
117.07002	12.1
119.04890	1.2
119.08566	26.6
120.08905	1.1
121.06503	9.7
121.10123	13.5
123.04408	2.0
123.08044	8.7
123.11690	8.8
125.06036	1.1
125.09599	6.2
127.07523	3.2
128.06194	2.3
129.06966	10.8
130.07794	1.5
131.08559	16.9
133.06435	6.1
133.10112	63.2
135.08025	7.6
135.11699	9.4
137.05945	1.4
137.09605	3.5
139.07468	1.4
142.07776	2.6
143.08537	4.9
145.06487	1.3
145.10101	13.1
147.04346	1.0
147.07986	6.7
147.11665	14.0
148.12045	1.1
149.09598	10.7
149.13327	2.3
151.11162	28.8
153.09160	1.1
153.12608	1.1
155.08588	2.2
157.10120	12.4
159.08000	2.7
159.11673	3.3
161.09599	7.0
161.13181	2.5
163.11165	9.5
165.12730	3.0
169.10075	1.1
169.12234	4.6
171.11653	4.5
173.09584	2.9
173.11732	1.9
175.11172	10.4
177.12733	2.6
179.10683	2.6
179.14316	1.4
181.12154	1.7
183.11720	1.6
184.07349	3.5
185.00343	1.0
185.13191	1.4
187.11125	2.1
189.11143	2.4
189.12746	1.9
191.10730	1.9
193.12216	21.4
195.11607	1.4
197.09341	0.9
197.11620	0.9
199.11298	1.2
199.13225	1.8
201.12862	1.0
203.14217	1.3
205.12186	1.7
209.11681	2.7
211.13232	1.8
211.99962	1.2
215.12733	1.5
219.13750	1.5
223.13188	2.3
224.14035	1.0
227.12712	7.8
227.17940	1.3
229.14268	7.3
233.15146	1.1
235.13124	1.1
245.19005	3.1
249.14847	1.9
251.12627	1.8
253.14311	94.0
259.20529	1.9
263.20044	2.3
267.15878	75.1
268.16266	2.0
269.17383	1.0
273.18436	13.6
275.19897	2.3
283.15341	19.1
285.17047	2.0
287.20020	7.2
289.14240	1.1
291.19501	20.8
297.17783	0.9
301.16528	2.3
309.20554	2.5
313.21756	1.2
333.24124	1.1
347.22058	7.9
349.23621	1.8
365.23166	31.5
371.22424	1.6
389.23196	3.2
393.22101	1.0
399.23795	1.8
421.25885	2.9
437.25229	7.7
445.25787	21.6
447.28696	2.5
463.26871	30.3
464.27090	1.3
465.29922	3.9
475.26941	2.2
483.30722	2.8
521.32428	1.4
539.33569	20.6
543.36578	1.7
557.34680	100.0
558.35010	5.8
575.35608	5.6
607.34583	3.5
642.42566	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	10.9
57.07071	36.3
61.02913	3.3
63.69807	2.2
67.05493	43.2
69.03418	8.5
69.07056	26.8
70.22510	10.4
71.04974	4.0
71.08619	34.4
79.05486	27.0
81.03400	9.5
81.07046	67.2
83.04955	11.0
83.08612	21.4
85.02883	6.6
85.06566	3.5
85.10174	18.6
90.22793	2.0
91.05461	24.9
92.42659	2.3
93.07031	30.7
95.04942	6.6
95.08596	44.6
97.02862	3.0
97.06518	10.3
97.10167	8.3
105.07009	23.2
107.04959	5.8
107.08585	24.9
109.06482	4.1
109.10140	16.5
111.08072	3.3
114.52195	2.3
117.07012	9.0
117.31835	2.3
119.08564	14.7
121.06469	5.3
121.10117	13.5
123.08051	2.2
123.11736	4.0
125.65168	2.2
131.08542	13.6
133.10106	13.8
135.08032	4.3
135.11662	12.7
137.09721	2.9
145.10126	7.9
147.11694	10.4
149.09547	11.8
149.13223	13.5
152.21854	2.4
153.52083	2.3
159.11690	10.5
161.13258	5.3
163.11160	7.8
169.10172	2.3
171.11552	3.7
173.13264	3.3
175.11063	2.5
177.12808	7.4
184.07309	15.9
239.17921	4.3
239.23616	5.1
255.15807	18.2
257.18982	6.5
269.17450	40.7
275.20035	22.7
293.17532	3.1
313.27301	97.8
338.53778	2.3
349.23602	24.9
358.38943	2.5
367.24921	4.2
463.68481	2.5
493.38763	21.0
497.12357	2.7
507.40375	100.0
508.40466	4.4
587.46539	31.1
605.47528	10.5
749.51270	3.4
832.26941	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	17.6
57.07049	1.8
59.04997	4.1
61.02911	4.2
65.03921	2.3
65.58047	0.6
66.98382	0.5
67.05495	59.4
68.05833	1.1
69.03421	3.4
69.06715	0.8
69.07058	9.8
71.01327	2.7
71.04984	4.7
71.24049	0.7
73.02898	2.6
77.44180	0.6
79.05482	29.5
80.58670	0.5
81.03407	19.6
81.07045	33.4
82.07379	0.7
83.00880	0.8
83.01327	8.1
83.04967	15.0
83.08607	16.7
85.02412	1.0
85.02895	15.3
85.06519	2.2
87.04460	4.0
91.03939	1.8
91.04893	0.6
91.05470	18.9
93.07032	29.1
95.04955	9.8
95.08595	13.9
96.05225	0.6
97.02872	6.5
97.06522	7.0
97.10151	12.4
99.04432	2.8
99.08047	1.7
103.03923	1.2
105.07015	12.6
107.04941	9.7
107.08580	19.8
109.02844	1.4
109.06505	8.5
109.10139	43.5
110.10438	1.1
111.04449	3.3
111.08049	4.3
111.11706	1.0
115.85307	0.6
116.04778	0.9
116.79819	0.5
117.06998	8.5
119.08566	14.5
121.06482	3.1
121.10131	9.5
123.08061	9.7
123.11690	1.1
125.00085	0.6
125.05947	2.4
125.09605	12.9
127.03920	0.8
129.05446	2.5
129.06946	3.2
130.07748	1.9
131.08543	4.6
133.10132	3.5
135.08017	2.2
135.11671	14.4
137.09607	4.9
139.07487	1.1
143.07010	0.7
143.08472	1.1
143.10629	2.0
145.06461	0.9
145.10097	18.3
147.08026	2.5
147.11653	2.2
148.74327	0.7
149.09581	2.8
151.11200	1.3
153.12709	4.2
155.08539	2.4
155.10628	2.3
159.11627	1.2
163.11162	31.2
167.98485	0.6
173.09598	4.4
173.11728	12.4
173.13139	0.7
181.12181	5.8
184.07320	1.9
189.11182	0.8
191.10677	5.5
193.12196	2.0
199.13281	4.9
209.11700	13.1
211.13229	1.6
222.40408	0.6
227.12753	13.0
229.14313	45.8
230.14667	1.0
257.13904	0.7
261.18375	0.7
265.14264	1.8
267.15884	3.8
275.20007	1.7
276.20340	0.8
283.15353	100.0
284.15714	1.6
291.19641	0.6
295.06201	0.7
301.13269	1.1
301.16428	13.7
311.14798	1.3
349.23462	1.0
399.23761	12.5
407.24194	2.1
423.90686	0.7
425.25162	5.7
437.25323	32.8
438.25613	1.5
451.82355	0.8
475.26877	1.5
491.26300	2.8
493.28079	1.4
496.34793	0.8
503.33582	0.8
509.27380	10.4
527.28552	2.3
573.37872	0.7
607.34717	26.3
608.34534	1.4
624.43073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59845	1.2
57.03428	17.9
57.07057	1.5
57.38675	1.4
59.04990	3.0
61.02910	8.3
65.03929	4.4
67.05496	100.0
69.03427	12.6
69.07059	59.4
69.97071	4.3
69.97492	4.0
71.01341	2.5
71.04995	7.3
71.08620	2.0
73.02900	2.7
77.03898	2.1
79.05486	65.4
79.05956	3.2
81.03413	25.5
81.07047	73.0
82.07394	1.8
83.04974	16.1
83.08609	18.6
85.02882	10.8
85.06526	5.6
91.03948	2.7
91.05470	56.3
92.05803	1.5
93.07030	67.7
93.07623	3.3
94.07373	2.5
95.01322	2.7
95.04959	32.0
95.08592	49.8
97.02877	9.2
97.06519	19.5
97.10149	16.5
98.20815	2.0
99.04419	3.3
99.08039	2.4
101.02323	1.9
103.05447	3.1
105.07018	44.1
107.04940	20.4
107.08577	31.4
109.02865	3.8
109.06483	11.3
109.10139	35.6
111.04427	3.3
111.08070	8.8
115.05441	4.1
116.21187	1.6
117.07011	27.4
119.08563	39.0
121.06499	12.1
121.10139	19.1
123.08056	9.7
123.11704	3.2
125.06001	1.7
125.09603	17.4
127.03900	2.9
128.06189	1.8
129.05489	3.5
129.07004	7.4
131.08549	24.5
133.06480	3.9
133.10106	24.1
135.08026	8.0
135.11665	11.9
137.09608	20.1
139.07538	2.1
139.11166	3.0
141.06987	3.1
143.08575	6.5
145.06454	3.9
145.10109	20.3
147.08076	2.2
147.11646	14.0
149.09593	20.5
149.13210	6.3
151.11186	4.2
153.09085	2.2
155.08586	3.0
155.10670	1.7
157.10129	6.2
159.11678	20.3
161.09607	4.1
161.13264	7.1
163.11206	11.6
165.09137	1.5
168.09282	1.6
169.10109	5.7
171.10223	2.5
171.11661	6.2
173.04434	1.8
173.09561	3.0
173.11719	7.8
173.13239	5.8
175.11186	4.3
177.12726	7.1
179.14232	7.0
181.10248	1.5
183.11659	2.3
184.07230	2.1
185.09949	1.7
185.13274	2.8
187.11186	5.7
187.14798	1.8
189.11188	10.2
193.12239	4.2
195.11784	1.5
195.13776	2.5
197.13295	1.8
205.12265	8.7
207.13725	1.5
209.11627	1.8
211.13216	3.2
213.14606	1.6
223.13266	57.8
224.13535	2.0
227.12735	11.3
229.14301	12.9
229.19479	1.8
239.18013	2.5
241.14276	2.9
247.20569	3.0
257.18994	7.7
267.15784	2.8
273.18445	6.7
275.20056	31.0
279.15869	4.1
283.15402	2.8
285.16922	3.8
291.19495	14.7
293.21014	3.8
297.16937	45.6
315.17950	1.9
331.22504	2.5
347.22452	1.7
349.23712	30.7
350.24268	2.3
358.99399	1.3
363.00177	1.5
365.23206	8.6
393.22595	4.1
450.28949	1.4
451.26828	15.1
465.28052	1.6
475.30380	6.0
479.29907	2.0
489.28149	2.2
491.30145	1.7
503.33621	4.5
505.74915	1.7
507.29327	1.9
519.28406	1.5
541.35114	2.9
543.36066	2.2
545.38550	1.5
553.35236	2.9
555.33075	1.7
559.36261	2.2
571.36224	31.5
573.33630	3.9
587.35730	1.9
589.37524	6.9
605.36749	4.6
625.43982	4.6
635.29047	1.5
640.40277	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03399	0.4
69.03414	2.6
70.55686	0.2
70.88234	0.2
71.01328	0.4
71.04980	0.4
76.31658	0.3
81.03408	2.9
85.02905	1.4
91.05430	0.4
97.02869	0.7
98.21536	0.9
99.04400	0.8
101.02325	0.3
103.05440	0.7
108.39217	0.2
109.02843	1.7
109.12263	0.3
109.72187	0.2
127.03907	1.8
131.04887	0.8
139.03915	0.3
143.06966	0.3
147.04364	0.8
151.03976	0.3
151.24448	0.3
153.01796	0.4
157.02850	0.7
159.04375	0.4
163.03821	0.7
173.02332	0.8
175.03870	2.0
185.02303	1.1
187.03877	4.6
191.03320	0.8
201.01756	1.3
203.03345	2.9
213.01817	3.1
213.05186	0.3
215.03333	4.0
219.02878	0.5
229.01329	1.6
231.02846	21.1
241.01266	3.3
247.02373	2.4
257.00821	1.5
258.01053	0.3
259.02347	31.7
260.02722	1.1
275.01843	3.9
276.02585	1.8
277.03391	100.0
278.03693	2.5
285.00345	1.7
285.03235	0.3
289.03293	1.0
299.01892	0.3
302.00458	0.5
303.01300	36.3
304.01730	0.9
313.03336	0.3
315.01474	1.3
315.04404	0.3
321.02338	3.4
328.99039	0.6
341.02780	0.3
345.02451	1.1
355.04108	0.3
357.05927	0.3
363.03214	0.3
367.04593	0.3
385.05463	1.0
387.03461	1.4
411.03391	0.5
429.04272	0.8
447.05389	1.1
465.06641	2.6
537.71313	0.3
820.12445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99995	0.8
57.03431	10.9
59.04985	1.1
61.02923	1.5
61.19201	0.7
65.03931	2.1
67.05121	1.1
67.05494	25.0
69.03417	25.5
69.07059	7.3
70.18817	4.1
71.01358	1.0
71.04980	8.3
73.02899	1.9
79.05481	26.5
81.03407	100.0
81.07046	28.7
81.98627	0.7
83.04971	22.1
83.08606	22.4
85.02891	22.8
85.06539	2.6
91.05466	31.6
92.53468	0.8
93.07034	18.6
95.04954	29.5
95.08588	11.1
97.02872	23.7
97.06493	6.8
97.10172	7.7
98.21442	1.0
99.04434	7.1
99.08078	1.1
101.02352	1.1
103.03950	1.6
103.05447	2.1
105.07014	24.5
107.04959	9.9
107.08586	11.1
109.02859	19.1
109.06497	6.9
109.10146	4.3
111.04422	13.5
111.08070	10.4
113.06003	2.5
115.03918	1.3
115.05435	2.2
117.07012	4.9
119.04963	1.8
119.08562	19.3
121.02869	1.5
121.06458	4.7
121.10146	10.0
123.04442	2.8
123.08049	3.7
123.11700	3.1
125.09612	4.7
127.03902	16.4
129.05449	3.2
129.06990	12.7
131.04958	1.9
131.08545	15.8
133.06485	3.5
133.10106	12.2
133.11043	0.9
135.04431	0.8
135.08040	2.4
135.11658	3.8
136.77187	0.8
137.05963	3.6
137.09618	2.8
139.03853	1.0
142.07776	2.2
143.08534	2.0
145.04970	0.8
145.06477	3.0
145.10101	5.4
147.04391	3.3
147.08070	3.9
147.11670	19.4
147.12772	1.4
149.05977	1.9
149.09590	5.6
151.03871	1.7
153.09082	1.1
153.12720	2.6
154.07664	0.8
155.08525	1.7
157.06409	1.3
157.10104	14.7
159.08118	0.8
159.11656	1.9
161.06003	1.6
163.03889	1.1
163.07501	1.2
163.11137	4.1
165.12738	5.1
167.07059	1.7
169.09950	1.0
171.08080	1.2
171.11607	1.9
173.04471	7.6
173.05872	1.4
173.09581	1.7
175.11159	14.8
177.41335	1.0
181.04997	1.1
181.10197	0.9
181.12216	3.2
183.06593	1.3
189.05556	1.1
189.11252	1.8
189.12779	1.5
191.05377	1.2
191.10652	3.4
193.12219	44.2
194.12614	1.1
194.90143	0.8
195.13701	1.1
201.12842	0.8
203.10736	0.9
203.14490	0.8
205.12248	0.8
211.13257	57.3
212.13599	1.3
213.12827	1.8
227.12682	7.3
229.14226	4.4
235.13286	1.2
249.14848	3.6
253.07069	1.4
255.13777	1.3
259.13364	2.1
267.15872	29.4
273.14835	3.8
277.14423	1.2
283.15393	2.6
285.16919	25.1
289.14203	1.1
301.14148	6.1
309.16843	1.5
310.08261	0.8
313.16284	2.0
319.15308	3.9
337.16302	3.8
351.17963	1.1
355.17459	7.9
367.22733	1.9
375.18115	2.8
385.23752	2.8
393.18997	4.4
403.24692	1.9
411.20090	7.3
425.07990	0.9
429.21075	13.0
431.27896	1.0
441.26105	1.0
459.27371	19.8
477.22067	1.7
477.28455	24.2
495.29541	13.1
499.21786	1.7
501.27823	1.2
519.29449	2.1
539.29163	1.3
543.29407	1.6
557.31390	1.1
561.30493	1.6
567.29620	2.0
573.30811	1.6
585.30646	7.0
603.31653	6.7
621.32623	18.0
622.32550	0.9
639.33624	28.5
681.32977	1.0
729.34564	1.0
765.35944	2.5
782.04706	0.9
783.25403	1.1
783.38055	11.1
801.38794	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.1
65.03933	1.1
65.58749	0.1
67.05502	0.5
69.03416	0.4
69.07052	0.3
71.04984	0.2
75.49715	0.1
79.05482	0.4
81.03418	0.6
81.07050	0.6
83.04974	0.2
83.08597	0.3
85.02901	0.3
85.07607	0.1
91.05469	9.8
92.05795	0.2
93.07036	0.4
95.04958	0.4
95.08589	0.4
97.02895	0.3
97.06477	0.1
97.10168	0.1
99.04433	0.1
105.07005	0.5
107.04919	0.2
107.08570	0.4
109.02866	0.3
109.06522	0.1
109.10136	0.3
115.31868	0.1
117.07043	0.2
119.04928	24.2
119.08580	0.3
120.05288	0.4
121.02837	0.2
121.06530	0.1
121.10109	0.2
123.08084	0.1
127.03912	0.3
131.08630	0.2
133.10117	0.3
135.04359	0.1
135.11737	0.1
137.05914	0.2
137.09538	0.1
145.10100	0.2
147.04390	100.0
148.04745	0.8
149.09605	0.2
149.13246	0.1
153.01797	0.3
157.10138	0.1
159.11713	0.1
161.13210	0.1
163.03847	0.5
163.11139	0.1
165.07088	0.1
167.07033	0.1
173.04433	0.2
177.12828	0.1
183.07841	0.1
184.07266	0.1
193.12231	0.2
211.13432	0.1
227.06825	0.1
229.73962	0.2
255.06548	0.1
267.15884	0.2
273.07465	0.2
287.05374	0.2
303.04941	2.1
316.22534	0.1
475.30560	0.2
497.14447	0.3
571.73779	0.1
618.39429	0.3
636.40527	0.1
637.32593	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	799.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.2
61.02922	0.1
63.02381	0.1
65.03918	1.1
67.05495	0.5
68.05844	0.1
69.03411	0.4
69.07057	0.2
71.04990	0.1
71.62435	0.1
73.02901	0.1
79.05477	0.6
80.05008	0.1
80.05793	0.1
81.03415	0.9
81.07045	0.6
83.04978	0.2
83.08601	0.1
84.05268	0.1
85.02893	0.4
89.03870	0.1
91.05466	10.0
92.05807	0.2
93.07027	0.5
94.07375	0.1
95.04964	0.4
95.08598	0.5
97.02878	0.3
97.06522	0.1
97.10204	0.1
99.04431	0.1
105.07018	0.5
107.04928	0.1
107.08564	0.3
109.02820	0.3
109.06522	0.1
109.10139	0.3
111.04427	0.1
117.03388	0.1
117.06978	0.1
118.94321	0.1
119.04926	22.0
119.08515	0.3
120.05246	0.3
121.02866	0.1
121.06544	0.1
121.10133	0.2
123.08041	0.1
123.11753	0.1
127.03899	0.3
129.06963	0.2
131.08554	0.2
133.10094	0.3
135.04387	0.3
135.08017	0.1
135.11670	0.1
137.02318	0.1
137.05936	0.1
139.03906	0.1
145.02864	0.2
145.10100	0.3
147.04387	100.0
148.04738	1.1
149.09532	0.1
149.13152	0.1
153.01784	0.1
157.10141	0.1
159.07973	0.1
159.11664	0.1
163.03880	1.5
163.11156	0.1
165.05482	0.2
171.11668	0.1
173.13171	0.1
175.11134	0.1
187.07452	0.1
189.12808	0.1
193.12265	0.2
201.05257	0.1
211.07486	0.1
211.13164	0.1
227.12920	0.1
229.05095	0.1
255.06642	0.1
267.15970	0.1
273.07434	0.1
274.21405	0.1
281.17426	0.1
282.17780	0.1
287.05420	0.2
303.04956	1.4
327.04880	0.1
333.09677	0.2
390.26807	0.1
421.08847	0.1
437.12076	0.2
439.32123	0.1
462.98352	0.1
474.28925	0.1
489.77670	0.1
497.14410	0.6
576.38855	0.1
618.39923	0.4
619.40070	0.1
636.41785	0.1
780.43359	0.1
798.43750	0.2
799.44934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.6
57.07076	0.8
57.36977	0.4
60.08149	1.2
61.02916	5.6
67.05499	5.1
69.03413	3.1
69.07053	2.0
71.04983	0.9
71.07393	0.5
73.02895	3.5
79.05476	3.7
81.03403	4.8
81.07059	4.1
83.01088	0.8
83.04957	0.8
83.08616	2.0
85.02890	7.8
86.09689	7.1
87.04478	0.9
87.10023	0.9
91.03939	3.8
91.05455	4.2
93.07034	3.6
93.80693	0.4
95.04958	2.2
95.08591	2.4
97.02877	6.1
97.06511	0.8
97.10161	1.0
98.20703	0.9
99.04417	1.0
101.02323	2.4
103.03964	0.6
104.10738	0.7
105.07034	2.2
107.04951	1.2
107.08585	1.7
109.02906	1.1
109.06496	0.9
109.10181	2.3
111.04428	0.5
111.08097	1.1
117.07039	1.5
119.08588	2.8
121.10146	1.5
124.99970	4.6
125.00775	0.6
125.09615	0.7
127.03905	2.1
127.11212	0.5
129.05482	1.4
131.08607	0.9
133.10115	1.3
135.07970	0.6
135.11687	1.8
145.04875	0.5
145.10085	0.9
147.11647	1.1
149.09618	1.0
157.10146	1.4
159.11681	0.8
163.11163	0.5
169.10110	0.5
173.11667	0.8
175.11255	0.7
181.04799	0.6
184.03528	0.6
184.07320	23.5
185.04121	4.1
185.07654	3.2
185.11810	0.5
193.12277	1.5
199.05748	0.5
199.86320	0.6
201.03738	1.5
201.07623	0.5
203.05322	0.6
204.25160	0.4
205.12193	0.6
211.13358	1.0
215.03789	0.4
223.13335	0.8
241.06985	0.8
243.08400	5.4
251.12457	2.9
277.14139	1.3
285.17218	0.6
291.15637	0.6
301.08917	12.6
312.11591	0.5
315.10355	2.9
327.10547	1.2
333.20386	1.7
341.12045	0.7
343.13690	0.9
349.16415	1.4
357.15378	1.0
367.17471	0.7
369.15219	1.0
371.16895	0.9
373.10950	3.7
383.16776	2.1
385.18298	6.9
387.12610	1.6
395.16864	1.3
413.17935	1.8
429.17459	2.2
431.24152	1.5
433.25662	1.4
439.19290	5.4
443.18924	4.6
457.20480	1.3
469.20386	15.0
479.26428	0.7
481.20505	4.5
483.22351	0.6
485.20248	1.9
499.21613	2.2
511.21222	1.0
515.33258	0.7
527.28503	1.1
528.21570	2.6
541.22388	7.4
551.28131	3.6
555.24341	0.8
567.27710	0.9
569.26117	1.0
583.30969	1.1
611.30463	1.8
612.31067	1.9
623.30066	2.6
625.32135	0.9
637.32050	1.0
641.31329	2.9
665.34955	0.5
667.32922	9.0
668.33197	0.6
693.37952	1.1
697.34161	0.6
709.33936	18.1
710.34131	0.9
777.39777	4.0
778.40399	0.7
795.41138	100.0
796.41736	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	794.5757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	15.3
57.03696	1.1
57.07067	6.1
61.02926	4.1
65.03937	3.2
67.05493	96.7
68.05829	0.9
69.03421	2.2
69.07058	37.0
69.39274	1.3
69.39679	5.9
71.04979	2.3
71.08626	3.4
73.02906	0.8
74.28233	0.6
79.05479	41.9
81.07044	100.0
82.07372	1.1
83.04989	3.4
83.08603	20.0
83.09099	1.3
84.98668	0.7
85.02889	3.9
85.06535	2.9
85.10181	1.4
87.04453	3.1
91.03981	1.2
91.04876	1.1
91.05464	25.7
93.07028	53.2
95.04964	4.2
95.08591	78.2
96.08974	0.7
97.02879	2.6
97.06509	5.1
97.10141	9.3
99.08083	3.0
105.07017	19.9
106.07451	0.7
107.08579	30.9
107.70042	0.8
109.06507	2.4
109.10139	34.0
111.08067	3.2
111.11700	2.1
113.09660	1.4
117.06992	5.6
119.07916	0.4
119.08563	18.2
121.10125	25.0
123.08095	1.6
123.11689	14.1
125.09587	2.2
127.11202	1.0
129.07001	1.2
131.08554	12.1
133.10109	16.8
134.10442	0.8
135.08072	0.7
135.11671	17.9
136.77158	0.6
137.09642	1.4
137.13217	4.7
139.11153	0.9
143.08537	1.3
145.10094	9.1
147.11664	13.4
149.09593	0.7
149.13222	10.7
151.11087	1.3
151.14821	2.2
152.92802	0.7
153.12723	1.1
155.32275	0.7
157.10146	2.0
159.11665	8.5
161.13235	9.6
163.11119	1.0
163.14786	7.0
165.16382	0.7
171.11703	1.4
173.13234	7.2
175.14807	5.7
177.16379	3.0
184.07318	0.9
185.13272	1.1
187.14780	3.0
189.16319	1.9
201.16316	2.0
203.18048	0.8
205.19511	0.9
215.17957	1.3
231.20998	1.0
233.22668	1.8
241.19659	1.8
243.21046	8.1
245.22618	3.8
247.24039	0.7
259.20547	6.8
261.22095	25.0
263.23648	5.2
275.23807	0.7
277.21631	0.8
279.23099	1.0
297.23929	0.8
313.25464	0.8
317.24826	4.1
317.28076	1.0
319.26276	1.0
333.24185	4.4
335.25745	89.8
336.26126	4.0
337.27316	99.3
338.27747	5.0
339.28949	6.7
349.27490	1.2
353.27277	0.7
505.43869	0.7
523.44623	4.4
524.45276	0.8
531.40485	0.8
541.46045	2.0
545.42450	1.2
577.51593	0.8
597.48706	38.6
598.48846	3.9
615.49750	36.8
616.49902	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	792.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	14.2
57.03421	7.6
57.07057	1.9
61.02918	2.8
65.32330	1.3
67.05495	54.6
69.07053	15.8
69.88792	8.0
71.04998	1.3
73.02923	1.5
74.09688	1.3
79.05050	2.1
79.05483	29.3
80.24422	1.1
81.07047	54.1
83.08607	7.0
85.02897	1.9
85.06532	1.5
86.09716	1.2
91.03968	1.7
91.04947	2.3
91.05466	20.4
91.06001	1.8
93.07028	42.3
95.04967	3.1
95.08592	39.8
97.02863	1.3
97.06546	3.3
97.10149	3.5
98.20970	2.9
104.21717	1.2
105.07021	17.0
107.08574	23.1
109.06476	2.2
109.10136	19.9
117.06995	6.1
119.08560	12.4
121.10128	17.6
123.11705	5.4
124.99942	1.7
129.06958	1.8
131.08543	9.8
133.10103	11.7
135.11682	11.6
137.13251	3.5
143.08499	1.5
145.10098	8.8
147.11650	10.2
149.13257	8.3
157.10095	2.2
159.11661	6.9
161.13210	5.6
163.11281	1.4
163.14812	4.1
171.11624	1.4
173.13223	7.0
175.14819	2.3
177.16277	1.9
177.21864	1.2
184.07310	8.5
185.07678	1.3
185.13258	2.0
187.14708	1.7
199.14951	2.0
241.19577	2.5
243.21115	4.2
259.20526	6.0
261.22116	17.1
263.23590	1.6
277.21323	1.5
289.18198	1.3
302.36362	1.3
313.38663	1.2
317.24728	4.0
333.24191	6.7
335.25754	100.0
336.26114	3.4
337.27307	8.2
521.43317	1.4
555.53448	1.3
595.47089	12.9
612.05756	1.5
613.48193	14.8
623.97601	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.56
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05501	14.7
57.03425	9.5
57.07053	2.0
61.02895	2.8
65.03917	3.0
66.57187	0.6
67.05493	60.0
69.03416	0.9
69.07056	15.3
70.87445	1.7
71.04970	1.4
71.08613	1.0
73.02893	1.0
77.03930	0.8
79.05478	37.2
81.03406	0.7
81.07041	54.6
83.04944	1.7
83.08601	8.9
83.85594	0.6
85.02877	2.4
85.06530	1.8
90.27179	0.5
91.03935	1.0
91.05461	20.7
93.07027	45.4
95.04968	3.7
95.08590	49.9
97.02868	1.2
97.06516	2.8
97.10145	2.6
98.21387	0.7
99.08049	1.2
105.04535	0.9
105.07011	17.4
107.08575	24.3
109.06489	1.9
109.10137	21.4
111.08070	1.4
111.11637	0.7
113.09586	0.7
117.06995	6.3
119.08559	16.7
121.10122	20.9
123.08049	1.2
123.11697	8.3
125.09609	1.0
129.06955	1.4
130.07811	0.7
131.08553	11.4
133.10114	13.4
135.11670	13.9
137.09566	0.9
137.13217	3.3
139.11226	0.8
143.08539	1.1
145.10100	8.8
145.46376	0.6
147.11652	11.1
149.13237	8.8
151.11160	0.8
151.14774	1.2
156.60454	0.5
157.10126	1.8
159.11678	10.5
161.13232	7.7
163.14825	3.9
171.11668	2.5
173.13232	7.9
175.14755	3.5
177.12770	0.8
177.16389	1.5
185.13277	1.2
187.14815	3.6
189.16406	1.1
199.14749	1.4
201.16319	1.3
215.18033	0.9
231.21049	1.2
241.19496	3.7
243.21034	4.9
257.18896	0.8
259.20578	6.7
261.22113	18.7
262.22516	0.7
263.23703	2.0
273.22095	0.7
299.23657	0.6
313.25266	0.6
315.23221	0.6
317.24796	3.2
333.24191	6.4
335.25739	100.0
336.25851	2.8
337.27298	10.9
521.43378	2.5
539.44409	0.7
543.40161	0.7
595.38367	1.1
595.47131	14.3
596.47137	1.5
613.48157	15.0
614.48291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.2
55.05502	29.6
57.03427	21.6
57.07053	2.7
59.04979	2.3
61.02909	2.4
63.20189	1.0
65.03940	5.6
67.05493	82.5
69.03414	7.8
69.07057	29.0
69.07441	1.1
70.60415	1.0
70.87686	1.0
71.01323	1.0
71.04979	9.8
73.02912	1.8
73.06516	1.2
79.05479	54.3
81.02908	2.1
81.03404	78.7
81.07041	92.9
82.07392	1.3
83.04964	21.2
83.08603	43.2
85.02892	32.2
85.06543	5.3
86.09691	4.1
87.04472	1.8
91.05465	57.1
92.05771	1.1
93.07027	53.9
94.07407	1.2
95.04951	35.4
95.08592	33.6
95.43019	0.9
96.03452	1.1
97.02876	6.1
97.03400	1.1
97.06516	17.4
97.10143	12.2
99.04446	2.0
99.08058	3.7
105.04508	1.0
105.07011	45.4
107.04948	12.7
107.08573	33.7
109.02856	1.1
109.06503	15.9
109.10137	30.2
111.04420	4.0
111.08057	17.5
113.05962	3.5
115.05442	3.1
117.06991	14.8
119.04966	2.3
119.08560	39.8
120.08979	1.4
121.06510	6.2
121.10123	28.2
123.08051	7.0
123.11676	8.2
124.99995	1.4
125.09595	7.7
127.03893	1.9
128.06212	2.7
129.05511	1.4
129.06976	15.2
130.07793	1.2
131.08543	29.9
131.09508	2.1
133.06490	4.5
133.10101	34.3
135.08020	4.8
135.11670	9.4
137.05951	5.4
137.09589	6.4
141.06981	1.6
142.07741	3.2
143.08537	3.4
145.06444	1.3
145.10104	15.0
147.04385	1.7
147.08047	4.6
147.11664	32.3
149.05948	1.5
149.09592	18.9
149.13258	13.5
151.11169	4.7
153.01718	2.1
155.08574	3.2
157.10106	25.4
159.08118	1.3
159.11655	14.2
161.09610	1.7
161.13243	4.1
163.07506	1.5
163.11163	7.1
165.09181	1.1
165.12781	7.1
167.06996	2.8
169.10132	2.4
171.11646	3.5
173.11731	4.2
173.13257	3.2
175.11150	23.0
177.12756	4.6
179.14229	1.6
181.04903	2.4
183.11649	2.3
184.07286	11.0
185.13188	1.7
187.11218	1.3
187.14813	1.5
189.11209	4.1
193.12215	57.5
194.12537	1.3
195.13795	3.6
197.13297	2.2
199.14787	1.1
211.13248	57.6
227.12737	6.5
229.14293	15.3
229.19389	1.8
239.17981	3.4
247.20564	1.8
249.14941	2.2
251.16489	1.3
257.18893	7.0
267.15860	39.9
269.17432	30.2
275.20004	42.3
285.16916	68.7
286.17334	2.1
293.20963	5.6
331.22733	2.1
346.70258	1.2
349.23651	31.4
350.23901	1.5
367.24771	15.5
413.21811	1.6
421.25558	6.9
433.29236	1.1
437.25204	1.0
439.26822	37.8
440.27362	1.3
443.27908	4.7
449.30200	1.6
455.26514	1.3
461.28946	38.4
463.30411	1.4
467.31229	2.5
479.29965	100.0
480.30423	4.5
541.35175	31.0
542.35443	1.8
559.36206	69.4
560.36603	4.9
577.37219	28.6
583.31323	2.2
587.32385	1.1
605.33081	1.5
623.33978	6.9
721.41852	1.2
792.44391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	10.2
55.05498	33.9
56.05828	1.6
57.03426	21.4
57.07057	4.8
59.04982	3.6
61.02917	6.0
61.27744	1.2
65.03922	4.1
67.05493	88.2
68.05825	3.6
69.03419	11.2
69.07056	27.7
69.07439	1.4
69.66097	9.5
69.70110	1.0
71.01328	2.8
71.04971	15.0
71.08628	1.9
73.02898	3.4
77.71334	1.0
79.05479	71.5
80.05823	2.1
81.03405	58.5
81.07042	100.0
82.03708	1.5
82.07366	2.6
83.01330	1.8
83.04960	18.7
83.08133	2.2
83.08607	31.1
85.02889	12.5
85.06504	7.2
86.09681	2.8
89.36298	1.2
91.05462	70.7
92.05803	1.6
93.07024	79.6
94.07356	1.9
95.04951	32.0
95.08587	46.0
96.08932	2.1
97.02879	6.6
97.06520	13.0
97.10138	16.3
99.04434	3.2
99.08073	6.7
103.05434	3.2
105.04494	1.3
105.07012	57.2
106.07321	1.7
107.04939	15.8
107.07847	2.7
107.08572	49.7
109.02841	2.7
109.06493	9.5
109.10133	31.1
111.04405	4.6
111.08073	11.6
113.05985	2.0
113.09595	2.6
115.05428	3.0
117.06998	27.2
119.04094	1.1
119.04929	1.6
119.08559	48.9
120.08864	1.9
121.06445	8.0
121.10125	29.6
122.10491	1.8
123.04381	2.1
123.08049	8.7
123.11689	10.7
124.99989	1.4
125.09615	11.9
127.03914	2.7
127.07496	1.3
128.06198	3.4
129.05486	2.0
129.06985	17.7
130.07713	1.4
131.04892	1.4
131.08546	31.7
133.06479	4.3
133.10101	34.8
134.10460	1.4
135.08055	8.9
135.11655	22.5
136.11987	1.2
137.09579	4.6
137.13275	1.3
139.11177	2.1
141.06967	4.0
142.07722	3.0
143.08534	14.2
145.06517	2.2
145.09001	2.3
145.10098	24.8
146.10411	1.7
147.08043	7.3
147.11659	26.4
148.11990	1.3
149.09601	9.8
149.13234	13.5
151.11148	3.6
153.06943	1.5
153.12680	2.6
155.08517	7.3
157.10121	14.3
159.08049	2.3
159.11658	17.7
161.09598	4.0
161.13210	12.6
163.11145	18.0
164.11548	1.3
165.12730	5.6
167.08502	1.7
167.10631	1.3
169.10065	6.4
169.12135	1.9
171.08008	1.7
171.11642	11.6
173.09578	4.7
173.11714	5.1
173.13245	9.5
175.11169	7.8
175.14792	4.5
177.12714	5.4
179.14290	1.6
181.10114	3.2
181.12230	3.3
183.11620	6.3
184.07315	8.0
185.09616	1.3
185.13220	8.8
187.11142	2.5
187.13222	2.0
187.14793	4.0
189.11131	4.6
189.12680	2.0
189.16336	1.9
191.10693	2.8
191.14337	1.7
193.12204	13.0
195.11691	3.6
195.13704	2.5
197.13278	4.0
199.11139	1.4
199.13185	1.8
199.14809	5.4
201.16367	1.2
205.12283	1.2
207.11659	3.1
209.11581	6.5
209.13286	3.3
211.11555	1.3
211.13123	6.8
211.15036	1.4
212.13779	1.3
217.12195	1.1
223.12984	1.9
223.14897	1.6
227.12709	11.7
229.14249	9.9
231.21107	2.0
233.15443	2.5
237.16489	1.5
239.18062	1.4
241.19434	3.9
243.15831	2.5
247.97433	1.2
253.14258	4.6
255.15868	3.8
257.19098	2.9
259.20557	14.4
260.21109	1.1
261.18457	1.5
265.14297	3.3
267.15891	29.3
269.17441	20.3
273.18497	4.0
275.19968	6.3
277.21628	1.7
283.15350	15.7
283.20349	1.8
284.15793	2.1
285.16919	10.8
291.19513	8.3
291.22375	1.4
293.20795	2.2
297.21854	2.3
299.23752	5.0
301.16568	5.8
301.19608	1.6
315.23450	1.9
329.20667	1.3
331.22708	1.4
333.24258	11.1
339.22858	1.6
343.22934	1.6
349.23810	6.6
365.22983	2.9
403.24661	2.0
415.29706	2.3
417.26105	1.3
421.25912	7.7
423.27332	2.6
433.30954	7.5
435.27249	4.9
447.27606	2.6
449.29102	4.0
451.32101	9.0
459.27362	8.8
461.28824	4.8
463.30695	2.9
465.28107	2.2
469.32907	5.4
477.28268	18.7
479.30054	4.2
495.29099	20.6
503.33569	4.1
507.34564	4.9
517.35205	6.4
523.33765	1.5
525.35651	44.9
526.36127	2.8
541.35162	5.3
543.36731	91.3
544.36884	3.7
557.38947	9.0
558.35529	1.9
559.35968	4.2
575.39917	16.3
593.36377	1.6
639.33423	2.7
669.39648	1.8
687.41882	2.1
791.40643	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	790.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.7
55.05503	26.1
57.03428	16.4
57.07081	4.5
59.04995	1.9
61.02914	4.4
61.38182	0.7
65.03919	3.7
67.05495	77.4
68.05814	2.0
69.03426	9.4
69.07056	27.1
70.04158	0.9
70.07386	1.0
70.39552	0.8
70.89167	2.4
71.01346	1.3
71.04981	20.8
71.08620	4.4
71.62965	0.7
73.02890	4.1
79.05482	52.2
80.05811	1.4
81.03407	22.1
81.07044	100.0
82.03717	1.3
82.04170	1.8
82.07360	2.9
83.01350	0.8
83.04476	1.0
83.04969	17.3
83.08602	17.9
85.02893	8.8
85.06522	8.4
86.09708	1.8
87.04430	1.0
91.03939	1.6
91.05468	58.5
92.05772	2.1
93.07029	54.2
94.07339	1.3
95.04956	18.4
95.08591	31.2
96.08908	1.4
97.02870	9.0
97.06509	16.6
97.10152	10.8
98.07294	3.1
99.04433	2.0
99.08080	5.3
100.31771	0.7
103.05429	1.6
104.06248	1.3
105.04477	1.4
105.07015	42.5
106.07333	2.5
107.04948	8.1
107.08581	41.3
108.08900	1.3
109.02863	2.1
109.06505	8.8
109.10139	21.1
110.10478	1.6
111.04410	3.1
111.08085	8.4
112.20275	0.8
113.05988	1.1
113.09644	1.8
115.05404	1.3
116.04707	4.8
116.06154	0.9
117.07003	18.4
119.08564	31.4
120.08880	1.3
121.06519	5.3
121.09298	1.4
121.10124	19.6
123.04426	1.2
123.08063	6.3
123.11686	10.7
124.12031	1.0
125.09603	10.7
127.03913	4.5
127.07520	1.2
127.11221	1.3
128.06206	1.4
128.16621	0.8
129.05455	13.0
129.06953	6.6
130.07727	0.8
131.08551	20.8
133.06471	2.5
133.10112	42.6
134.10458	2.5
134.97063	0.8
135.08054	6.7
135.11662	19.1
137.09599	4.7
139.11136	2.1
141.06952	2.1
142.07727	1.1
143.07019	2.8
143.08521	5.7
143.10654	0.9
144.09125	0.8
145.04932	1.1
145.06441	1.1
145.10100	16.5
146.10524	1.0
147.08002	3.0
147.11664	17.1
149.09598	11.4
149.13255	12.1
151.11143	8.2
152.11456	1.4
153.09071	1.8
153.12737	1.5
155.08490	2.0
157.06505	1.2
157.08595	4.8
157.10103	6.9
159.07970	0.9
159.11674	16.3
160.12057	0.9
161.09605	2.6
161.13232	7.5
163.11143	11.6
163.14799	1.0
164.44115	0.8
165.12672	2.9
167.10622	1.2
169.10098	2.0
169.12192	1.0
171.06514	1.0
171.10222	1.6
171.11644	6.5
173.04410	2.5
173.09555	1.5
173.11714	3.2
173.13243	6.6
175.11113	5.2
175.14772	2.2
177.09129	0.8
177.12718	4.7
179.14287	3.5
181.10059	1.0
181.12204	1.9
183.11676	2.3
183.13799	2.3
184.07318	6.3
185.11786	0.9
185.13237	3.9
187.11151	0.8
187.13249	3.6
187.14777	1.5
189.11188	7.5
189.12704	1.6
191.10701	1.6
191.14273	1.3
193.12186	4.6
194.12584	1.2
195.13799	6.3
197.13248	1.4
199.13242	3.3
199.14853	1.6
201.12849	1.2
201.14746	1.5
207.13795	1.0
209.11610	4.1
211.13226	3.6
213.14697	1.6
215.18086	0.9
223.13301	1.4
225.11098	0.9
225.14641	1.1
227.12737	13.9
229.14331	4.1
229.19481	1.9
231.21181	1.3
233.15398	1.0
239.17915	2.2
241.19542	3.7
243.15950	3.4
247.20581	1.0
251.16342	1.5
253.14287	6.2
254.14751	3.9
255.15567	2.5
257.19296	4.6
259.20554	13.7
260.20920	1.0
261.14786	0.9
265.14154	1.2
267.15875	8.3
268.16318	2.1
269.17453	20.9
273.18503	1.9
274.18857	0.9
275.20041	22.7
276.20410	1.5
277.21393	1.5
283.15399	6.6
284.15884	1.0
285.16934	3.1
291.19366	1.8
292.19620	1.9
293.21100	7.1
299.14682	1.2
301.16379	25.2
301.20041	17.6
302.16843	2.7
303.16757	1.2
315.22931	2.2
331.22562	2.3
333.24258	10.8
349.23712	18.3
350.24042	1.6
351.25134	3.4
365.23026	1.6
366.23355	1.1
367.24457	4.4
381.22574	2.3
397.25906	1.0
413.21524	1.2
419.27823	1.3
421.29871	1.5
423.27219	5.5
427.26947	2.3
437.29269	14.2
439.26663	1.7
445.29297	2.0
449.28922	13.9
451.31015	4.9
459.27060	1.1
461.28824	3.2
463.30579	14.7
477.28055	6.3
479.29724	1.1
481.31714	4.2
489.35513	1.0
495.32864	21.7
496.33752	1.0
498.27905	1.1
499.27832	1.7
499.34067	3.8
503.33237	0.9
517.35181	32.6
518.35461	1.4
525.35565	3.7
531.36676	3.8
535.36279	1.3
541.34973	2.6
542.35431	4.5
543.36450	22.8
544.36652	1.6
549.37836	1.6
559.36377	7.4
561.37396	2.1
575.39655	14.4
577.36835	2.8
581.32782	2.0
591.35358	1.3
593.36469	6.2
607.34418	2.5
615.34973	0.9
744.37329	1.1
791.35651	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	790.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.0
55.05503	24.1
57.03428	17.3
57.07060	3.5
59.04985	1.9
61.02911	4.0
65.03925	3.4
67.05494	100.0
68.05833	1.8
69.03411	4.4
69.07056	22.7
70.07350	0.9
71.01335	1.9
71.04976	7.1
73.02901	3.0
79.05480	38.4
79.63658	0.8
81.03408	13.0
81.07043	75.5
82.07373	1.3
83.04970	12.3
83.08134	1.3
83.08607	18.6
85.02888	9.6
85.06520	5.3
85.60619	0.9
87.04454	3.9
91.03927	1.5
91.05463	24.9
93.07029	48.9
93.55909	1.0
95.04944	8.1
95.08589	26.6
97.02864	6.4
97.06512	11.8
97.10158	10.4
98.20712	3.0
99.08080	3.8
103.03929	1.1
105.07001	10.4
107.04939	6.2
107.08584	29.4
108.08981	1.2
109.06459	4.4
109.10137	51.4
110.10514	0.9
111.04413	1.8
111.08066	7.7
111.11710	1.2
117.07001	7.1
119.08576	10.2
120.90213	0.9
121.06481	2.2
121.10118	17.1
123.08025	2.5
123.11682	3.3
125.09608	9.3
129.05473	4.5
129.06934	2.2
131.08534	10.2
133.10089	8.9
135.08038	3.6
135.11670	10.1
137.09587	2.8
139.07578	0.9
139.11198	1.1
143.08612	1.0
143.10693	1.1
145.10126	3.9
147.11656	2.3
149.09607	1.4
149.13243	25.7
151.11194	2.0
153.12750	2.7
155.10608	2.0
157.10129	1.2
159.11687	11.0
161.13333	1.4
163.11137	5.5
171.06554	1.2
173.09601	2.0
173.11723	17.4
173.13150	1.9
177.12698	6.5
181.12227	2.2
184.07448	1.2
191.10612	4.6
193.12216	4.1
195.13763	14.8
199.13277	4.6
209.11713	4.3
211.13255	1.6
213.14836	2.2
227.12752	9.7
229.14320	35.6
229.75035	0.8
230.14632	1.2
265.14349	3.1
267.08923	1.5
267.15930	5.8
269.17438	82.1
270.17755	2.8
283.06079	1.0
283.15302	8.6
285.10016	2.4
285.16968	1.5
301.16461	8.2
301.19745	1.5
308.11816	1.0
324.11404	3.7
324.61859	1.6
393.26227	4.4
399.23676	13.6
411.27374	4.5
423.27362	68.8
424.27728	4.7
439.26913	1.4
459.27399	2.2
461.28922	4.6
463.22565	3.8
477.28238	5.7
478.29028	1.8
495.29141	11.1
501.35748	1.7
509.30011	1.0
513.30475	3.9
593.36768	32.9
594.37103	2.9
791.41101	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	15.3
55.05502	42.8
55.18659	1.0
57.03427	28.0
57.07067	5.5
59.04977	2.5
61.02917	10.1
65.03933	6.4
66.04698	1.3
67.05494	94.4
68.05839	2.1
68.06257	1.0
69.03421	15.2
69.07057	34.3
69.46912	2.5
69.47330	6.4
70.07399	1.5
71.01347	2.2
71.04982	14.9
71.08622	7.6
73.02915	6.6
73.06546	1.1
79.05480	71.8
80.05828	2.1
80.06259	1.7
81.03407	28.7
81.07044	100.0
82.04184	7.4
82.07352	1.8
83.01322	1.7
83.04971	25.4
83.08602	23.4
84.05777	1.2
85.02886	12.5
85.06537	7.9
86.09688	2.7
87.04434	2.2
91.03928	2.6
91.05467	79.1
92.05782	2.0
93.07027	72.3
94.04156	1.2
94.07323	1.4
94.07841	1.4
95.04951	32.0
95.05550	2.1
95.08594	40.5
96.08958	1.1
97.02879	14.0
97.06512	17.8
97.10149	18.2
98.07296	4.3
99.04444	3.2
99.08081	9.8
101.06017	1.9
103.03896	1.3
103.05437	3.2
105.04525	1.0
105.07014	63.1
106.07314	2.1
107.04928	13.6
107.08578	45.7
108.08870	1.3
109.02857	3.2
109.06493	13.1
109.10137	25.8
111.04433	4.5
111.08064	11.7
113.06041	1.4
113.09659	1.8
115.05446	3.4
116.04699	9.9
117.05503	1.3
117.06992	23.7
119.08560	47.8
121.06497	8.4
121.09327	1.0
121.10117	24.1
123.04444	1.5
123.08054	12.7
123.11660	7.4
124.99998	1.7
125.09606	18.2
127.03869	5.7
127.07592	1.6
127.11159	1.8
128.06207	2.7
129.05467	27.8
129.06964	13.9
130.07755	1.1
131.08549	30.7
133.06445	2.7
133.10110	42.3
134.10457	2.5
135.08031	7.4
135.10684	1.1
135.11671	19.7
137.09615	6.2
139.07474	1.4
139.11139	2.3
141.06999	1.5
143.07021	7.8
143.08528	7.2
145.04953	1.6
145.06479	2.0
145.10104	22.1
147.08037	3.8
147.11661	29.1
147.28372	0.9
149.09581	12.4
149.10579	1.3
149.13225	16.2
151.11148	9.4
153.09038	2.2
155.08553	2.7
155.10605	1.1
157.08598	11.2
157.10115	12.4
159.08064	1.2
159.11668	18.2
161.09587	3.1
161.13231	13.6
163.11157	16.4
165.12718	4.1
167.10635	1.7
169.10138	3.4
171.06602	1.3
171.07993	1.1
171.10156	3.2
171.11691	9.1
172.12119	1.0
173.04437	2.7
173.09616	2.2
173.11728	5.4
173.13237	6.6
175.11168	6.0
175.14813	5.5
177.12688	6.8
179.10747	1.3
179.14250	5.0
181.12190	2.8
183.11661	2.7
183.13626	1.0
184.07298	10.2
185.13226	5.6
187.11169	2.3
187.13286	1.9
187.14853	1.9
189.11198	7.3
189.12708	2.3
191.10614	3.0
193.12199	11.8
195.13708	6.1
197.13240	2.7
199.11566	1.2
199.13274	5.3
199.14867	2.9
200.14088	1.9
201.12875	1.0
201.16341	1.3
207.13768	2.5
209.11736	6.8
210.12410	1.1
211.13150	5.0
211.14983	1.4
215.17813	1.2
223.13228	1.3
225.11189	1.7
227.12750	17.6
229.14238	5.1
229.19455	1.4
231.17415	1.7
233.15282	1.4
233.18904	0.9
239.18005	1.5
241.14311	1.3
241.19521	8.5
243.15956	2.4
245.18983	1.3
247.20625	1.8
249.14830	1.3
253.14268	3.8
255.15785	3.2
257.19150	4.8
259.20535	21.8
263.20654	1.1
267.15863	12.4
268.16260	1.9
269.17422	19.3
273.18539	2.8
274.18689	1.0
275.20056	22.0
276.20444	1.7
277.21487	1.6
283.15378	17.2
284.16071	2.1
285.17032	5.1
291.19522	2.5
292.19510	1.7
293.21127	13.8
301.16455	58.3
301.19949	4.9
302.16745	3.2
303.16595	1.1
313.21704	1.1
315.23285	1.5
331.22632	2.2
333.24115	14.9
349.23721	13.2
350.23926	1.7
351.25235	6.7
365.23254	2.1
367.24789	5.1
381.22745	4.7
394.26602	1.1
408.32687	1.0
423.27350	5.2
435.51260	1.0
435.80844	1.1
437.24393	2.2
437.28937	5.0
449.28928	5.9
461.28967	8.6
462.29703	1.5
463.31055	5.6
477.28348	4.1
478.29501	1.8
479.30014	1.4
495.29535	14.3
499.34302	1.4
517.35260	10.6
525.35986	5.9
541.35297	4.6
542.35272	3.5
543.36224	12.0
559.36230	15.8
560.36584	1.3
575.36389	4.2
577.37183	4.4
593.36334	9.5
639.33563	1.3
790.49591	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	790.457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	15.0
55.05256	2.9
55.05505	41.1
56.27599	1.3
57.03177	2.5
57.03431	31.4
57.07058	2.9
59.04996	2.9
61.02914	6.8
65.03925	6.0
67.05494	94.8
68.05802	1.8
69.03421	22.2
69.07060	57.3
69.34867	8.2
69.35291	6.9
71.01353	3.0
71.04586	1.7
71.04980	26.7
73.02900	6.5
73.06549	2.2
76.70012	1.2
77.03908	2.6
79.05483	83.7
81.03408	75.1
81.07046	100.0
83.01324	4.9
83.04973	35.1
83.08611	39.1
84.96804	1.5
85.02890	31.3
85.06535	9.6
86.09693	5.0
87.04448	2.3
91.03963	2.2
91.05466	80.0
92.46471	1.4
93.07031	82.5
94.07394	2.7
95.04958	40.8
95.08594	44.8
97.02881	17.5
97.06517	83.7
97.10153	9.3
98.21432	2.9
99.04433	6.0
99.08068	6.3
103.05462	4.5
105.04549	1.8
105.07017	61.0
106.07365	1.6
107.04944	25.5
107.08578	49.0
109.02868	6.2
109.06501	24.6
109.10137	38.1
110.10504	1.6
111.04412	7.3
111.08070	20.9
111.08784	2.7
111.11717	1.7
113.06010	6.3
115.05430	5.6
115.07548	20.6
117.07001	27.1
119.04943	4.6
119.08566	45.4
121.06516	11.9
121.10131	26.6
123.04424	1.6
123.08064	16.4
123.11706	5.6
125.00024	2.5
125.05955	3.3
125.09627	13.5
127.03908	5.8
127.07551	3.4
128.06248	3.6
129.05495	2.9
129.06982	22.2
130.07719	2.9
131.08549	35.2
133.06491	6.7
133.10109	33.1
135.08035	17.8
135.11671	18.4
137.05974	3.0
137.09560	6.9
137.13156	1.8
139.07491	2.0
139.11157	2.2
139.69563	1.5
141.06960	3.2
142.07777	4.1
143.08569	10.1
145.06490	3.9
145.10094	28.6
147.04427	6.0
147.08028	10.0
147.11674	25.6
149.09615	12.7
149.13237	11.5
151.07443	2.0
151.11183	6.5
153.12743	2.6
155.08513	6.0
157.10106	23.3
159.08009	4.5
159.11671	13.6
161.05977	2.4
161.09663	8.7
161.13208	3.6
163.11157	25.5
165.09094	4.3
165.12738	4.4
167.07010	2.1
169.10114	4.7
171.10213	2.1
171.11674	4.7
173.04425	5.3
173.09563	5.7
173.11720	5.5
173.13188	3.3
175.11177	17.1
177.12749	6.5
181.10114	2.9
181.12230	4.0
183.11684	3.5
184.07321	11.1
185.13220	3.6
187.11139	3.1
189.09175	2.1
189.11086	2.9
189.12688	2.7
191.10678	2.1
193.12218	41.8
195.11607	2.3
195.13788	4.7
197.13255	2.3
199.11093	1.7
199.14778	3.8
201.07619	2.6
201.12733	2.4
203.14319	2.4
207.13829	1.9
209.11623	4.0
211.13254	56.5
213.12779	1.5
213.16469	1.9
217.15871	9.9
219.13812	2.3
221.15437	3.2
227.12729	14.7
227.17961	1.6
229.14290	16.3
233.15334	3.3
235.16690	1.7
245.18983	5.5
247.16904	1.6
249.14787	3.7
253.14374	4.5
255.17627	2.4
257.18976	3.7
263.20114	1.7
267.15906	26.7
269.17422	25.4
273.18448	33.2
275.20035	18.6
283.15356	60.7
284.15643	1.7
285.16919	49.2
286.17239	3.6
289.17905	2.5
291.19537	18.5
307.18936	5.2
309.20590	2.6
325.21628	1.5
329.21005	2.7
347.22107	11.4
349.23636	13.2
365.23181	12.0
367.24783	6.4
413.21710	1.7
437.25287	32.2
437.31033	3.0
443.27954	1.7
447.28156	3.0
453.24524	3.1
459.27258	3.4
461.28705	10.8
465.29126	4.0
477.28439	46.4
478.28595	2.8
479.30042	26.7
495.29184	1.5
499.30264	2.2
517.31683	3.0
539.33685	9.3
557.34631	47.6
558.34589	3.1
575.35754	41.2
593.36761	12.3
612.10352	1.7
790.44049	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
56.05018	0.7
57.03410	0.3
58.06585	0.4
60.08156	6.8
62.67589	0.3
64.96117	0.3
65.07240	0.3
67.05505	0.6
69.07065	0.4
71.07365	3.5
71.63551	0.3
81.03402	0.4
81.07040	0.7
86.09692	30.5
91.05436	0.4
95.08598	0.6
98.21102	0.4
98.98454	2.9
104.10718	3.6
105.07011	0.5
107.08587	0.3
119.36864	0.3
124.99984	20.0
143.48123	0.3
166.02626	0.5
184.07312	100.0
185.07610	1.0
317.96841	0.4
403.29904	0.3
531.38672	0.3
770.52924	3.7
788.54309	3.7
789.54596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	20.6
55.05502	40.2
57.03178	1.8
57.03429	27.4
57.07054	4.2
58.09641	1.2
59.04993	2.8
61.02919	8.2
65.03923	4.6
67.05494	100.0
69.03417	16.5
69.07057	68.8
69.33570	13.2
71.01334	1.7
71.04988	13.1
73.02888	4.0
77.03922	1.7
79.05479	78.4
79.77988	1.1
81.03405	72.9
81.07045	99.4
82.04163	2.2
83.04970	28.7
83.08601	36.5
85.02895	30.5
85.06519	5.7
91.03932	2.7
91.05466	88.1
93.07029	71.8
95.04353	2.2
95.04954	43.7
95.08590	56.0
97.02872	12.8
97.06519	32.2
97.10147	20.6
98.07288	2.6
98.21577	2.3
99.04409	2.9
99.08070	4.7
103.05402	1.6
105.04500	2.0
105.07014	69.7
107.04944	24.8
107.08578	42.5
109.02865	2.4
109.06501	15.1
109.10134	35.0
111.04431	4.1
111.08067	18.8
113.05988	3.3
113.09607	2.6
115.05423	4.1
116.04679	4.0
116.06236	1.8
117.07002	22.8
118.70033	1.2
119.04956	2.3
119.08560	49.8
121.06476	9.8
121.10123	26.1
123.08051	12.2
123.11680	4.6
125.09606	19.9
127.03900	5.7
127.07499	1.8
128.06207	3.2
129.05495	14.0
129.06976	19.6
130.07800	1.3
131.08545	34.0
133.06450	6.3
133.10109	42.4
135.08029	8.6
135.11662	15.8
137.09599	19.7
137.13174	1.6
138.42578	1.3
139.11156	1.6
141.06921	2.0
142.07753	4.2
143.06992	3.6
143.08511	5.8
145.06415	2.3
145.10098	20.5
147.08060	7.6
147.11670	31.6
149.08383	1.7
149.09589	32.8
149.13257	7.8
151.11143	3.9
153.09126	2.4
153.12746	1.6
155.08499	3.0
155.10625	2.0
156.09178	1.5
157.08588	6.4
157.10097	22.7
159.11658	15.6
161.09619	3.9
161.13235	6.0
163.11157	18.7
165.09065	2.5
165.12724	3.6
169.10083	3.6
171.06361	1.7
171.10115	3.4
171.11673	5.2
173.04369	1.9
173.09561	1.8
173.11699	10.4
173.13219	6.5
175.11154	22.3
177.12730	4.5
179.14287	4.5
181.12199	3.4
183.11633	4.4
185.13232	2.0
187.11145	3.4
189.11192	8.1
189.12639	3.2
191.10625	1.9
193.12209	52.5
194.12540	1.7
195.13776	4.5
197.13235	2.4
199.13289	4.5
205.12128	1.8
209.11734	3.6
211.13248	58.1
223.13165	1.7
227.12732	16.9
229.14259	12.4
229.19391	3.1
233.15286	1.5
239.17886	3.1
243.15880	2.5
245.19077	1.5
247.20517	4.5
253.14139	3.4
255.15662	7.1
257.18921	10.2
267.15872	28.7
269.17450	10.3
273.18411	5.4
275.20026	46.8
276.20584	1.7
283.15201	2.8
285.16916	39.8
291.19366	8.1
293.21127	6.3
301.16434	29.0
331.22449	3.2
349.23676	58.7
350.24130	2.9
365.23108	3.8
367.24567	1.7
381.22504	4.6
421.25702	4.7
423.27231	2.8
439.26794	18.9
445.29126	1.5
447.27371	3.2
453.28107	2.2
461.28723	2.3
463.31003	7.0
471.25980	2.0
477.28448	2.5
479.29846	3.1
481.27744	4.6
495.29498	14.2
541.35187	17.1
542.35724	1.7
557.34668	2.7
559.36279	38.9
560.36188	2.5
575.35669	13.6
577.37000	6.2
593.36761	3.7
790.45221	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01614	0.9
55.01867	11.6
55.05254	1.2
55.05503	17.9
57.03432	10.5
57.07060	2.4
58.83216	0.7
60.08133	1.0
61.02914	2.2
65.03925	2.2
67.05495	45.5
68.05823	1.4
68.44099	0.6
69.03423	7.1
69.07058	21.6
71.01351	0.8
71.04978	5.0
71.08622	0.8
73.02902	1.5
79.05482	32.6
80.05834	1.0
81.03407	40.5
81.07045	54.4
82.03735	0.8
82.04174	1.5
82.07368	1.4
83.04971	12.0
83.08601	14.5
85.02884	3.4
85.06548	5.1
85.10178	0.8
86.09703	4.7
87.04433	1.0
91.05468	48.5
92.04932	0.8
92.05798	0.9
93.07032	37.1
94.07333	1.0
95.01310	3.6
95.04958	18.1
95.06129	0.6
95.08593	24.1
95.46897	0.6
97.02889	4.5
97.06516	13.8
97.10149	6.8
98.07343	1.1
98.21497	2.5
99.04443	2.2
99.08083	2.6
103.05481	1.5
105.07018	57.6
106.07365	1.8
107.04944	12.7
107.08579	25.7
108.08875	0.7
109.06505	9.2
109.10146	31.3
110.10435	0.8
111.04417	3.0
111.08070	6.4
113.05955	1.4
115.05425	2.8
116.04693	2.2
117.07004	11.2
118.06528	2.2
119.04919	1.5
119.08562	24.8
120.08871	1.7
121.06480	7.2
121.10125	11.3
121.26734	0.6
123.04412	2.7
123.08048	6.2
123.11692	7.4
124.99974	2.9
125.09634	6.1
127.03912	1.1
127.07529	1.6
127.11204	0.9
128.06174	2.1
129.05482	6.2
129.06976	7.4
131.08559	19.3
133.06448	4.8
133.10115	47.9
134.10457	1.5
135.08034	6.6
135.11679	7.9
137.09605	4.1
139.07539	1.6
141.06995	1.7
142.07799	0.9
143.07042	1.4
143.08539	4.7
145.06470	2.3
145.10106	11.0
147.08046	4.1
147.10623	1.2
147.11676	12.6
148.12030	1.1
149.09581	9.0
149.13240	2.5
151.11156	14.1
153.09122	1.1
153.12689	1.0
155.08563	2.1
157.08583	2.7
157.10109	7.9
159.08112	1.8
159.11684	6.9
161.09576	4.6
161.13254	4.1
162.09116	3.0
163.09912	1.3
163.11131	5.9
165.09111	1.3
165.12749	1.7
169.10147	1.5
169.12231	2.4
171.10216	1.6
171.11674	3.9
173.09605	1.4
173.11783	1.6
173.13278	3.2
175.11163	5.1
175.14725	1.2
177.09096	1.0
177.12727	3.0
179.10677	1.4
179.14328	4.9
181.10173	1.0
181.12201	1.4
183.11693	2.1
184.07309	12.1
185.13261	1.3
187.11153	2.2
189.11166	2.1
189.12659	1.8
191.10606	1.3
193.12210	9.4
195.13739	0.9
196.12283	0.7
197.13300	1.1
199.11562	0.8
199.13295	2.9
201.12737	0.9
205.12320	0.9
209.11630	1.6
211.13318	2.4
215.12700	1.6
219.17511	1.4
223.13248	1.5
227.12680	3.9
227.17949	1.0
229.14258	0.8
230.01898	1.3
230.15338	4.5
239.17929	1.1
245.18997	2.0
247.20590	0.9
251.12811	1.7
253.14326	46.6
254.14644	2.0
255.15500	1.0
255.17711	1.1
257.18958	2.0
259.20538	1.1
263.20105	1.8
267.15891	37.9
268.16254	2.2
269.17484	1.1
271.15427	2.6
273.18536	11.5
274.18600	1.5
275.20023	25.4
276.20599	1.1
283.15311	4.5
285.16922	3.1
287.20212	0.9
291.19540	12.3
292.19028	14.2
301.16418	12.9
309.20319	0.9
332.22369	0.8
333.24197	1.0
347.22086	4.0
348.22092	0.9
349.23712	19.0
355.36667	0.8
358.30435	0.9
365.23230	12.2
366.23538	1.1
425.84796	0.8
461.29239	1.6
463.26596	0.9
475.26892	1.0
497.27402	3.1
510.26700	1.3
541.35175	100.0
542.35675	7.9
543.36615	1.3
544.36847	1.3
557.34418	2.3
559.36096	4.4
573.33936	3.9
574.34686	1.3
575.35358	1.0
583.35907	0.8
591.35260	20.0
592.35449	1.6
608.44727	1.1
626.44452	1.5
760.61462	0.8
788.49335	14.4
789.49329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01613	0.6
55.01862	7.9
55.05502	19.3
57.03430	12.0
57.07057	1.1
59.04989	2.3
61.02900	1.5
65.03922	1.7
65.33237	0.4
67.05492	24.7
69.03419	4.5
69.07056	7.5
70.06522	0.4
71.01329	1.2
71.04985	5.0
71.62522	0.8
73.02908	0.9
79.05481	27.2
81.03405	46.4
81.07043	31.8
82.07362	0.6
83.01320	5.5
83.04967	19.1
83.08604	21.7
85.02893	18.8
85.06528	2.1
86.09694	0.5
87.90157	0.4
91.03938	0.8
91.05465	27.8
93.03372	0.6
93.07030	27.0
94.07344	0.9
95.04954	23.2
95.08589	13.6
97.02872	5.5
97.06512	6.2
97.10152	7.9
99.04465	2.0
99.08070	1.8
103.05435	0.9
105.04487	0.6
105.07014	20.9
107.04936	10.4
107.08574	16.9
109.02851	1.4
109.06503	9.7
109.10133	5.5
111.04422	7.9
111.08060	9.5
111.11648	0.4
111.74906	0.3
112.65054	0.5
113.05983	1.8
115.05420	1.5
117.06995	8.2
117.07814	0.5
119.04906	1.3
119.08559	22.9
120.08872	0.6
121.06498	4.4
121.09294	0.8
121.10123	12.2
123.04440	1.0
123.08050	7.5
123.11681	1.7
125.05934	1.8
125.09605	6.4
127.03885	0.7
127.07497	0.7
128.06216	0.8
129.05492	1.0
129.06984	8.1
130.07744	0.7
131.04941	0.8
131.08546	11.0
132.05690	0.9
133.06471	2.3
133.10107	9.8
134.10347	0.5
135.04416	0.7
135.08043	5.7
135.11673	10.4
137.05936	1.4
137.09596	4.1
139.07578	0.8
141.07011	0.6
142.07733	2.1
143.08545	1.5
145.06474	3.0
145.10103	15.2
147.04366	1.3
147.08051	4.5
147.11661	11.3
149.05946	0.8
149.09602	6.1
149.13219	0.5
150.78751	0.5
151.03888	0.5
151.07532	0.9
151.11099	1.1
153.01804	0.9
153.09081	1.1
153.12730	4.3
155.08557	2.1
157.10109	10.1
159.08035	4.4
159.11671	0.8
161.09612	1.4
163.07498	1.8
163.11162	21.7
165.09099	0.7
165.12755	2.7
167.07034	1.3
167.08400	0.6
169.10133	0.5
171.11607	0.7
173.09569	4.3
175.11143	11.0
177.09062	0.6
181.12192	5.1
183.11714	0.8
184.07343	1.3
185.09641	0.7
187.11154	0.7
189.11197	2.4
191.07014	0.5
191.10640	4.6
193.12210	30.9
209.11696	7.9
209.13576	0.6
211.13263	36.7
225.16344	0.7
227.12712	11.3
243.17470	0.6
245.15471	0.6
249.14708	0.7
261.18558	0.8
263.16492	0.5
267.15878	18.4
271.16870	3.2
273.18436	0.5
275.20294	0.6
283.15353	24.7
284.15945	1.1
285.16916	42.8
286.17276	1.1
289.14813	0.4
289.17923	13.0
289.21228	0.6
307.19016	5.8
311.14740	0.6
345.20605	1.3
363.21619	4.3
381.22662	19.7
382.23010	0.6
383.22049	1.2
401.23038	0.7
457.25726	4.4
463.28769	0.5
475.26871	23.3
476.26987	0.8
493.27887	100.0
494.28192	4.6
511.28775	0.6
548.93896	0.5
555.33038	7.2
573.25165	0.7
573.34143	15.3
574.34314	1.0
591.35175	28.7
592.35516	1.0
608.34589	0.6
629.21423	0.4
790.11450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01625	1.4
55.01866	23.1
55.05501	39.6
57.03176	2.0
57.03428	21.6
57.07060	5.7
58.59040	1.3
59.04988	1.9
60.02110	1.2
60.09687	1.4
61.02914	2.9
65.03913	7.1
67.05494	91.7
69.03416	11.0
69.07059	35.9
69.65134	2.3
69.65541	8.2
71.01316	1.6
71.04982	10.1
73.02895	5.5
73.06565	1.4
77.03913	2.0
78.99773	1.1
79.05003	1.4
79.05481	66.1
81.03408	58.8
81.07044	95.3
82.03746	1.6
82.04197	3.5
82.07347	1.3
83.04972	26.1
83.08608	22.0
85.02890	9.8
85.06528	8.2
91.03922	2.1
91.05466	91.6
93.07030	63.7
94.07370	1.5
95.01307	3.5
95.04353	2.2
95.04954	38.1
95.08591	38.8
95.09178	1.2
97.02892	8.5
97.06520	20.7
97.10144	14.2
98.07301	5.3
98.21583	1.4
99.04436	5.2
99.08071	3.7
103.05485	2.5
105.07013	86.5
107.04269	2.4
107.04935	22.5
107.08578	56.3
109.02893	1.9
109.06495	15.9
109.10137	70.3
111.04446	3.1
111.08065	11.5
113.06020	3.0
115.05427	1.8
116.04684	9.3
117.06989	15.6
118.06499	1.3
119.04929	1.6
119.08563	34.8
121.06485	12.2
121.10122	20.3
123.04383	2.7
123.08038	10.6
123.11686	12.0
125.05975	1.3
125.09611	14.5
127.03886	1.7
127.07531	3.2
127.11194	3.2
128.06213	1.8
129.05469	21.5
129.06969	12.3
130.07779	2.4
131.08542	25.3
133.06480	7.2
133.10110	99.1
134.10593	2.0
135.08040	11.9
135.11676	12.1
137.05965	1.6
137.09593	7.4
139.07544	1.5
141.06995	3.9
142.07756	2.2
143.07028	6.2
143.08531	5.6
145.06474	3.1
145.10077	17.0
147.08009	7.8
147.11655	15.9
149.09593	12.7
149.13229	3.8
151.11154	41.0
153.09058	1.7
153.12711	2.9
155.08525	2.5
157.08580	9.9
157.09933	11.0
159.08067	4.2
159.11641	7.7
161.09587	10.9
161.13213	3.9
162.10362	1.4
163.07527	1.7
163.11136	10.2
165.09077	2.9
165.12773	3.6
169.10072	3.3
169.12230	7.1
171.06496	1.6
171.10262	3.0
171.11649	6.6
173.09641	3.4
173.11729	2.2
173.13220	3.7
175.11157	12.2
177.09145	2.4
177.12703	4.1
179.10646	2.7
179.14261	4.8
181.12140	2.2
183.11650	2.1
184.07307	3.7
185.13245	1.7
187.11186	1.8
187.14734	1.3
189.11198	5.0
189.12704	3.3
191.10577	2.9
193.12177	12.0
197.08101	1.7
197.11707	1.6
199.11250	1.3
199.13268	5.3
200.13919	2.3
201.12741	1.6
205.12251	1.9
209.11621	6.3
211.13260	3.0
215.12773	5.8
223.13205	4.2
227.12743	11.5
227.17969	2.3
229.14230	2.7
237.16367	2.2
245.19006	5.6
249.14993	2.5
253.14314	100.0
254.14658	3.3
255.15720	2.4
257.19012	1.8
263.19977	4.1
267.15869	51.5
271.15262	9.5
273.18436	28.5
275.20016	18.8
283.15372	8.0
285.16959	3.5
291.16443	2.5
291.19519	31.2
292.19043	6.1
293.21118	1.4
297.16904	1.6
301.16409	63.1
309.20377	1.9
321.33575	1.4
325.16333	2.4
347.22079	11.3
349.23639	12.6
365.23166	35.6
366.23386	1.6
395.24258	2.1
447.27435	2.1
463.27139	2.0
479.25998	4.1
491.30066	1.5
497.27380	34.4
507.34174	1.6
533.34399	1.9
539.33405	2.5
541.35168	98.1
542.35223	4.3
557.34833	2.4
559.35962	4.1
573.34119	9.1
575.36011	1.3
591.35175	52.1
592.35431	3.0
608.43378	1.7
609.35974	2.3
626.44702	2.4
788.50165	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	788.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01617	2.2
55.01867	25.1
55.05504	50.8
57.03431	25.0
57.07058	5.0
59.04998	5.5
61.02916	10.5
65.03927	4.1
67.05498	97.1
69.03420	15.0
69.07059	70.1
69.32639	12.9
71.01342	4.6
71.04990	12.9
73.02912	3.5
77.03896	1.6
79.05484	78.0
80.05791	1.5
81.03412	32.2
81.07047	83.2
82.07381	2.0
83.01340	13.2
83.04974	27.1
83.08611	24.5
85.02895	15.7
85.06532	5.0
86.86668	1.2
87.04449	1.2
91.03944	2.3
91.05466	73.4
92.05807	1.4
93.07033	78.6
94.07355	1.7
95.04960	28.3
95.08593	54.7
97.02868	14.8
97.06525	23.8
97.10149	12.8
99.04414	6.0
99.08084	3.5
103.05453	2.4
105.04502	1.8
105.07018	49.9
107.04942	25.7
107.08584	43.3
109.02873	3.7
109.06506	15.3
109.10142	33.6
111.04434	5.3
111.08066	8.3
113.05959	1.2
115.05434	2.9
116.04713	3.0
117.07002	24.2
119.08564	44.7
121.06481	10.1
121.10133	21.4
123.04409	1.7
123.08046	18.4
123.11700	4.9
125.05981	3.4
125.09621	12.7
125.10449	1.8
127.03894	2.8
128.06210	1.7
128.11974	1.1
129.05476	10.4
129.06949	10.4
130.07805	3.0
131.04893	1.9
131.08540	23.9
133.06508	2.9
133.10110	30.6
133.11072	2.1
135.08025	9.1
135.11668	31.4
136.12070	1.3
137.09602	20.2
139.07561	2.4
139.11186	2.8
143.07039	3.4
143.08565	5.2
145.06444	3.7
145.10103	37.2
147.08051	7.0
147.11649	13.9
149.09598	17.7
149.13255	3.3
151.11176	7.1
153.09106	1.9
153.12721	3.9
155.08562	4.4
155.10641	1.9
157.08603	5.0
157.10110	6.2
159.08028	1.7
159.11667	11.3
161.09599	3.9
161.13260	7.7
163.11156	47.9
164.11560	1.1
165.09146	3.4
165.12798	2.0
169.10143	2.7
169.12192	2.1
171.10126	3.5
171.11702	5.3
173.09544	7.3
173.11722	8.5
173.13277	5.7
175.11182	4.4
175.14853	1.9
177.12796	4.0
179.14297	5.1
181.10136	1.4
181.12224	7.5
183.11646	1.3
184.07396	2.0
185.11786	1.6
187.11229	2.9
187.13229	1.4
187.14786	1.4
189.11224	4.8
189.12721	2.7
191.10649	6.1
193.12224	4.0
195.11861	1.2
195.13777	1.6
197.13239	1.4
199.13286	2.3
205.12254	1.9
209.11716	15.9
211.13220	3.0
223.13243	9.0
227.12756	16.5
227.17920	1.9
229.14297	8.2
229.19427	2.6
239.17892	3.4
243.15894	2.2
245.18962	2.2
247.20541	2.3
249.14677	1.5
253.14354	11.4
255.15646	2.7
257.19040	6.1
263.20102	1.4
265.14468	1.4
267.15930	4.9
269.17422	1.6
273.18448	10.6
275.20038	33.4
276.20441	1.6
283.15369	100.0
284.15707	3.8
285.16806	1.6
291.19482	39.7
293.21048	4.1
297.17111	1.9
301.16431	17.5
311.15030	1.4
331.22711	1.5
347.22134	2.8
349.23691	42.4
350.24023	3.1
365.23126	16.2
366.23657	2.2
379.21085	12.7
383.24182	1.7
437.25348	35.4
451.26730	6.7
453.24747	1.5
461.29141	12.4
463.27011	6.2
472.46872	1.2
475.26538	1.5
477.28662	5.6
479.26245	1.8
493.28802	1.9
505.27820	1.5
539.33441	4.7
556.33911	2.4
557.34698	56.4
558.34717	4.4
573.33777	6.1
574.34570	1.5
575.35669	11.4
591.35333	18.5
788.45367	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	12.9
55.05504	31.6
57.03421	10.8
57.07052	3.8
59.04980	3.4
61.02916	17.3
67.05492	71.8
69.03424	16.4
69.07063	29.7
71.04983	8.4
73.02911	6.7
79.05479	48.6
81.03418	24.3
81.07042	69.8
83.04961	14.0
83.08610	16.7
85.02894	18.1
90.50073	3.0
91.03934	6.4
91.05464	51.4
93.07031	56.6
95.04958	16.9
95.08594	31.1
97.02877	11.1
97.06521	19.0
97.10161	14.6
98.20734	8.8
99.04408	4.1
105.07011	47.0
107.04946	7.3
107.08566	37.1
109.02885	6.1
109.06518	5.8
109.10120	28.1
111.08055	5.3
117.06981	21.0
119.08568	37.5
121.06474	6.6
121.10114	25.8
123.08086	5.7
123.11700	10.6
125.09634	11.1
127.03855	3.9
128.06252	6.4
129.06978	22.6
131.08554	33.6
133.10103	28.5
135.08040	5.4
135.11682	11.5
137.09518	3.3
141.06958	6.8
142.07721	3.3
143.08565	17.8
144.14145	3.5
145.10106	25.7
147.08066	4.7
147.11661	18.9
149.02362	3.9
149.09608	9.0
149.13216	4.5
155.08521	15.4
157.10110	20.8
159.08072	3.4
159.11633	20.3
161.13239	10.0
163.11218	4.9
163.14793	3.7
167.08609	6.4
169.10095	16.6
171.11682	21.3
173.09715	3.1
173.11763	4.9
173.13272	12.4
175.11165	5.6
175.14880	4.7
181.10083	8.7
183.11639	14.9
184.07457	4.1
185.13219	13.9
187.14809	3.9
189.11211	4.4
191.08821	2.7
191.14381	3.7
193.10188	4.2
195.11674	9.0
197.13258	11.7
199.14803	8.5
207.11632	5.2
209.13254	10.7
211.14745	6.3
213.16328	6.0
221.13216	3.9
223.14777	6.2
225.16379	3.5
227.12752	3.7
229.14259	3.7
235.15004	4.0
239.17783	4.4
241.19603	4.6
257.18832	4.1
259.20532	9.1
261.22397	4.1
267.15945	8.9
273.18719	3.5
275.20056	11.3
277.26538	2.9
291.19403	3.5
297.21985	3.6
333.24207	7.4
335.25824	12.5
349.23773	9.7
365.28159	5.0
421.30948	3.4
449.50311	2.8
489.35672	3.4
513.35645	21.9
515.38324	6.2
527.37170	11.3
533.39771	8.3
543.36139	4.0
545.38226	5.1
551.40778	4.0
589.41766	3.6
607.43359	54.5
608.44525	4.4
625.44543	100.0
626.44708	8.2
787.49457	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.7
55.05503	32.1
57.03431	10.0
57.07060	6.0
61.02906	7.2
64.68474	1.3
65.03920	2.7
66.81055	1.3
67.05496	65.8
69.03403	5.2
69.07056	23.4
70.75480	3.6
71.04980	5.4
71.08618	2.8
73.02921	3.9
77.03931	1.6
79.05482	52.5
81.03419	6.9
81.07046	70.6
82.03761	1.5
83.04971	6.5
83.08612	13.0
85.02888	8.7
85.06522	3.5
86.09689	2.1
87.20164	1.3
91.03945	2.3
91.05470	59.1
92.04201	1.3
92.05774	2.0
93.07034	52.4
94.07349	1.6
95.04961	13.0
95.08596	49.0
97.02876	3.2
97.06513	6.8
97.10157	5.7
103.05450	1.4
105.07017	46.4
107.04939	4.4
107.08585	27.6
109.02880	2.0
109.06501	7.2
109.10131	14.3
111.08059	4.8
115.05446	6.2
116.06216	3.5
117.07002	28.5
119.04948	1.4
119.07779	2.3
119.08566	29.1
121.06502	5.5
121.10146	17.5
123.08062	5.5
123.11682	4.8
125.00010	1.9
125.09628	2.4
127.03901	2.4
128.06213	12.6
129.06995	21.3
130.07797	7.0
131.08553	55.8
132.08844	1.8
133.06461	7.4
133.10103	18.3
134.40598	1.4
135.08044	5.0
135.11691	10.8
137.09616	3.3
139.11166	1.8
141.06975	7.7
142.07780	5.4
143.08539	49.9
145.06490	2.7
145.10106	55.6
145.11275	2.7
147.08017	5.7
147.11671	10.1
149.09608	4.1
149.13289	4.9
153.06918	2.1
155.06041	1.7
155.08522	7.7
157.10126	17.8
159.07990	2.5
159.11656	14.8
161.09578	9.3
161.13274	4.8
163.11159	4.1
163.14760	1.6
165.06970	2.4
165.12874	1.7
167.08543	2.1
169.10109	12.5
171.08051	1.8
171.11646	16.5
173.09471	2.0
173.13196	4.5
175.11220	6.4
177.12764	2.9
177.16238	1.4
181.10104	7.7
183.11688	6.0
184.07375	4.5
185.13255	5.1
187.11157	1.9
187.14743	2.7
195.11674	11.7
197.13249	1.7
199.11128	2.2
199.14818	2.1
201.12866	1.6
201.16373	1.4
209.13318	2.1
211.13263	3.2
227.17926	3.8
237.16394	15.8
245.18983	4.3
255.17474	14.1
261.22104	6.1
267.15854	1.5
273.18460	51.8
275.19891	1.5
276.77914	1.4
286.17096	1.8
291.19382	2.7
302.94034	1.6
313.27335	2.8
314.27557	2.4
329.21078	6.6
333.24170	1.9
335.25769	100.0
336.26245	3.4
347.22144	28.3
524.39990	3.8
526.40222	2.3
561.37305	3.6
607.43506	44.9
608.44067	2.4
625.44794	8.1
787.49707	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	22.4
55.02111	3.7
55.05502	35.0
57.03429	18.6
57.07055	7.9
61.02917	3.8
65.03918	7.1
67.05495	100.0
68.05812	8.1
69.03406	4.8
69.07056	45.6
70.07390	2.6
70.10760	8.7
70.11162	5.8
71.04980	7.0
71.08604	5.2
73.97171	2.4
79.05482	63.8
80.05840	2.8
81.03406	16.3
81.07043	83.6
81.49069	2.8
82.07381	7.3
83.04957	11.6
83.08594	16.8
83.35247	2.7
85.02878	9.0
85.06537	3.6
91.03960	2.6
91.05466	84.0
93.07027	69.2
94.07353	5.4
95.01317	8.6
95.04954	19.6
95.08590	60.9
95.09160	5.1
96.08914	4.5
97.02853	6.1
97.06513	40.8
97.10135	7.2
98.20849	3.1
100.06821	2.9
103.05433	5.4
105.07018	97.5
106.07375	2.6
107.04938	17.9
107.08572	32.0
108.08964	3.9
109.02869	3.0
109.06556	12.2
109.10136	44.5
110.10453	4.3
111.08065	6.8
117.07007	30.2
119.08559	54.0
121.06474	5.8
121.10114	23.1
122.10445	4.2
123.08028	8.7
123.11702	4.2
125.09607	4.0
129.06938	12.6
131.08543	40.1
133.06511	3.0
133.10100	55.1
134.10414	2.6
135.08014	8.2
135.11662	17.0
137.09573	5.6
139.07507	3.5
141.06985	4.7
143.08533	12.8
145.06491	5.5
145.10086	29.6
146.10478	2.5
147.11670	26.9
149.09586	7.4
149.13200	11.1
151.11160	3.5
155.08498	5.0
157.10123	11.5
159.11678	26.9
161.09615	4.2
161.13261	17.9
163.11104	7.0
169.10075	8.5
171.11649	13.3
173.11664	8.0
173.13231	13.8
175.14790	8.4
177.12692	9.7
179.14249	9.0
183.11696	6.6
184.07320	9.1
185.13263	9.9
187.11180	3.6
187.14806	3.6
197.13231	3.5
199.14839	5.1
205.10442	3.0
205.12224	4.9
209.13339	2.7
223.13255	6.5
229.14322	34.5
230.14612	12.5
241.19510	16.8
257.18964	10.3
259.20514	17.5
261.22025	8.0
262.22446	6.7
275.20029	60.9
279.15936	6.5
293.21002	6.7
297.16916	7.3
298.17310	7.0
315.23065	9.5
317.24567	3.1
333.24203	42.6
335.25745	32.9
336.26157	25.9
349.23679	36.4
369.27716	2.8
435.32584	2.9
437.34314	3.1
450.79630	2.7
489.35733	6.4
490.36230	20.5
511.37915	3.4
558.38416	8.8
561.38239	2.7
607.43439	59.2
608.44141	6.0
625.44556	31.2
626.44275	3.2
779.74762	2.8
787.49377	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	787.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	6.1
55.05252	3.6
55.05505	42.2
57.03431	16.4
57.07056	7.4
59.04985	2.0
61.02908	8.7
63.20963	1.8
65.03919	4.2
65.60194	2.0
67.05495	83.7
69.03413	8.9
69.07061	27.9
71.04977	6.3
71.08609	3.1
71.63043	3.3
73.02884	4.6
79.05049	4.2
79.05482	58.8
81.03398	15.2
81.07045	83.1
82.07362	3.1
83.04959	9.9
83.08605	17.0
85.02895	10.3
91.03913	2.7
91.05468	91.4
92.05817	3.7
93.06460	4.6
93.07029	67.7
94.07380	2.1
95.04955	17.9
95.08588	69.7
97.02867	8.2
97.06513	9.8
97.10144	9.1
99.04447	2.8
99.08038	2.7
103.05418	6.0
105.07014	75.3
107.04961	6.7
107.08588	34.9
109.02860	3.5
109.06493	11.0
109.10145	16.0
111.08077	6.5
115.05434	8.5
116.06227	4.1
117.06197	4.4
117.06995	53.4
119.04897	3.0
119.07778	3.5
119.08569	46.0
121.06499	7.2
121.10117	26.7
123.08023	8.8
123.11667	6.0
125.00005	2.8
125.09580	7.7
128.06201	31.1
129.06996	33.6
130.07784	12.8
131.08546	99.4
132.05679	2.5
133.06435	11.9
133.10114	31.0
135.08022	8.6
135.11642	13.5
137.09575	3.5
141.06992	13.1
142.07741	8.2
143.08539	96.6
144.09007	3.1
145.06468	6.8
145.10103	100.0
147.08026	14.3
147.11661	16.3
149.09601	7.3
149.13197	4.6
154.07764	3.3
155.08488	11.1
157.10095	26.9
159.08037	6.8
159.11662	20.7
161.09605	13.5
161.13220	4.6
163.11142	5.9
165.06973	3.5
166.07831	3.2
167.08539	6.1
169.10092	19.4
171.11639	21.1
173.09589	2.2
173.13184	3.8
175.11176	11.0
175.14758	2.9
177.12723	5.0
179.08534	2.4
180.09192	2.1
181.08693	2.4
181.10068	14.6
182.10779	2.9
183.11623	14.8
184.07318	8.2
185.09532	2.9
185.13222	9.1
187.11241	3.5
189.12708	2.9
193.12157	4.8
194.12535	2.3
195.11684	24.1
195.13438	3.1
196.12364	2.6
197.13148	2.4
199.11102	5.7
199.14847	2.7
201.12785	3.1
209.13280	4.6
211.13179	4.6
211.14917	3.6
212.13596	3.4
227.17909	6.1
237.16370	31.3
245.19011	6.8
255.17427	33.9
261.22000	3.2
273.18451	85.6
275.20105	4.3
277.22003	2.6
285.17065	3.1
286.17352	4.8
291.19537	6.2
313.27328	4.6
314.27631	6.0
329.21185	8.6
331.22375	2.6
335.25748	98.5
336.26102	4.7
347.22107	54.4
390.68744	2.5
428.18121	2.6
506.39011	2.4
524.39935	10.3
525.40106	3.9
526.40625	4.9
607.43494	68.6
608.43036	3.4
625.44275	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	786.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.0
56.21677	0.1
57.07037	0.2
58.06591	0.3
60.08156	7.7
65.42503	0.1
67.05483	0.3
69.07054	0.2
69.38699	1.6
71.07371	3.8
71.08600	0.1
80.66962	0.1
80.96754	0.1
81.07063	0.3
85.44322	0.2
86.09695	38.2
87.10027	0.4
95.08594	0.2
98.20808	0.4
98.21494	0.3
98.98443	3.4
104.10728	3.3
105.11045	0.1
109.10139	0.2
124.99988	23.4
143.01074	0.4
145.49651	0.1
166.02644	0.4
184.07317	100.0
185.07727	0.9
190.15968	0.2
194.88055	0.2
234.54848	0.1
260.25964	0.2
359.50510	0.1
359.55093	0.2
499.53488	0.2
768.51489	0.4
786.52722	9.6
787.52850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	17.5
55.05256	2.1
55.05502	29.0
57.03434	10.7
57.07056	3.9
58.12787	1.1
59.04980	1.9
61.02921	3.2
65.03927	5.1
67.05494	100.0
67.51843	1.0
69.03418	7.5
69.07054	45.6
71.04978	5.8
71.08606	1.1
71.62891	2.0
73.02898	3.2
73.06561	2.0
77.03918	1.9
79.05481	92.8
80.05775	1.4
81.03408	17.7
81.07043	70.8
83.04967	17.1
83.08608	14.2
85.02901	5.9
85.06540	4.4
86.09675	2.0
87.04440	2.3
89.06004	5.3
91.05467	93.8
92.05776	1.2
93.07028	91.6
94.07379	1.2
95.01291	1.6
95.04949	32.0
95.08594	55.6
97.02868	4.3
97.06519	29.5
97.10148	6.7
99.04443	1.9
99.08068	2.1
103.05434	2.5
105.04485	2.3
105.07017	61.8
106.07336	2.0
107.04939	18.7
107.08577	32.6
109.02876	2.5
109.06477	9.7
109.10136	33.5
111.04450	2.0
111.08068	6.0
113.09644	1.4
115.05428	2.0
117.06995	21.5
119.04918	1.1
119.08560	44.4
121.06522	6.6
121.10117	10.9
121.41291	1.0
121.44067	1.1
123.08040	10.8
123.11649	2.6
125.05940	1.1
125.09641	6.1
127.03913	2.1
127.07561	2.0
128.06218	3.9
129.05530	2.3
129.06990	20.8
130.07768	1.6
131.08548	16.2
133.06474	3.9
133.08592	2.6
133.10115	24.4
135.08041	5.8
135.11656	9.5
137.09584	17.6
137.13266	1.5
139.11165	1.9
141.06981	2.9
143.08546	12.2
145.06448	1.9
145.10103	20.8
147.08047	4.7
147.11659	43.2
148.12000	1.2
149.09592	22.2
149.13217	3.6
151.11134	2.6
153.09077	1.4
155.08629	1.4
156.09297	1.2
157.10106	3.1
159.08018	1.9
159.11667	10.6
161.09581	6.6
161.13232	13.5
163.11153	11.8
165.09039	2.3
169.10149	2.5
171.11664	28.0
173.04523	1.2
173.11714	9.2
173.13254	3.5
175.11156	2.6
177.11333	1.1
177.12752	3.8
179.14301	5.0
181.10066	1.5
183.11673	2.4
184.07324	4.3
185.13298	1.4
187.11198	2.5
189.11215	2.3
189.12700	11.5
195.11697	1.7
195.13612	1.4
197.13249	1.2
201.12721	1.4
205.12262	2.0
205.95868	1.1
207.13756	30.4
211.13164	1.4
223.13118	2.0
225.14799	3.0
227.12732	2.8
227.20004	6.1
228.20316	3.4
229.14355	12.8
238.48389	1.2
239.17949	2.0
247.20526	2.1
257.19083	7.8
267.15817	1.2
273.18533	3.6
275.20016	29.2
279.15872	1.8
281.17432	59.1
288.11237	1.1
291.19485	6.5
293.13977	1.2
293.20923	2.3
331.22476	1.8
347.22379	1.7
349.23672	28.1
365.23090	4.2
373.18628	1.4
377.23157	6.4
435.27380	50.1
449.28867	1.6
459.31384	5.2
475.30759	1.6
503.29785	1.5
537.35553	3.2
555.36774	62.7
556.36951	3.8
557.34680	1.6
571.35773	3.3
573.37854	5.0
589.37329	1.6
673.36450	1.2
786.50824	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	2.6
55.05409	7.5
55.05700	1.7
56.87111	0.5
57.03330	4.2
57.06998	0.6
61.02818	16.1
61.03171	3.1
61.03335	0.6
62.96978	0.5
65.03840	1.5
66.87174	0.4
67.05391	17.4
67.05791	2.8
69.03314	5.9
69.03713	0.9
69.06953	7.8
69.07357	1.3
69.79430	2.8
71.01276	0.5
71.04874	3.0
73.02795	4.9
79.05367	16.9
79.05877	1.9
81.03290	6.2
81.06931	20.3
81.07462	2.3
83.04853	2.9
83.08492	6.7
83.09045	0.8
85.02773	20.7
85.03342	2.2
85.06407	1.8
87.04381	0.9
87.04905	0.4
87.39709	0.5
88.43996	0.5
91.03821	12.5
91.05344	23.6
91.05975	2.2
92.05704	1.2
93.06910	18.2
93.07535	1.4
95.04836	5.0
95.08469	14.2
95.09142	1.2
97.02754	13.4
97.03421	0.8
97.06388	3.9
97.10028	1.6
98.20819	0.7
99.04313	2.3
99.07982	0.9
103.05322	1.7
105.06885	16.8
107.04812	3.6
107.08447	9.0
107.21851	0.5
109.02732	1.8
109.06362	3.5
109.10143	6.8
109.10828	1.1
111.04311	0.9
111.07941	2.3
113.09657	0.5
115.03809	1.0
115.05434	2.6
115.65715	0.6
117.06998	14.7
117.07749	0.6
119.04927	7.0
119.08556	10.9
119.57806	0.5
120.05128	2.1
120.83536	0.5
121.06486	3.8
121.10126	6.0
123.08041	2.7
123.11561	1.7
123.20573	0.6
125.02280	0.7
125.09462	2.2
125.10278	0.6
127.03885	6.1
128.06192	3.9
129.05336	1.1
129.06981	17.5
131.04781	2.3
131.08545	23.8
133.06485	3.2
133.10106	8.5
135.08041	3.0
135.11684	3.8
137.05884	1.2
137.09486	1.9
138.78203	0.5
139.07414	0.5
141.06967	9.8
142.07626	1.7
143.08531	15.9
144.09235	0.5
145.04959	4.4
145.06435	4.7
145.10095	11.5
147.04385	25.1
147.05479	1.1
147.08006	4.1
147.11659	4.5
148.04720	10.0
149.04787	1.6
149.09586	4.2
149.13115	1.5
151.03769	0.6
151.11026	1.4
153.01764	0.5
153.06778	1.8
154.07567	1.1
155.08522	13.6
156.09177	1.0
157.06352	1.9
157.10100	10.3
159.08043	3.9
159.11681	7.9
160.11018	1.0
161.05934	0.7
161.09563	2.7
161.13078	1.1
163.05855	3.1
163.07263	1.1
163.11021	2.3
165.06834	1.4
166.07599	1.0
167.07265	0.8
167.08511	6.7
168.09016	0.5
169.10091	10.1
171.07980	2.7
171.11650	6.7
173.05824	0.6
173.09550	2.7
173.13094	2.2
175.07393	0.7
175.11137	2.7
175.14760	0.8
177.12624	1.7
179.08522	4.0
180.09171	0.7
181.08720	0.7
181.10104	7.1
182.10675	0.7
183.07890	0.8
183.11664	6.1
185.09474	1.7
185.13219	5.3
187.11034	2.3
187.14786	2.4
189.08946	0.6
189.10985	0.5
189.12662	1.1
191.08449	1.2
191.10318	0.7
192.09189	0.9
193.10001	3.1
193.12074	1.6
194.10638	0.7
195.07941	0.6
195.11688	6.1
195.13437	1.1
196.11729	0.5
197.09436	1.7
197.11578	0.4
197.13194	4.1
199.10995	1.9
199.14713	2.4
201.12552	2.0
203.14091	1.5
205.09947	0.7
207.11536	3.0
207.13556	1.1
209.13229	3.1
210.13612	0.6
211.11006	1.9
211.12868	0.6
211.14745	2.8
211.21048	0.5
213.12555	2.1
213.14314	0.6
213.16301	1.0
215.14394	2.9
217.12115	0.8
217.15755	0.7
219.11644	1.2
219.13484	0.8
221.13252	4.6
223.14786	5.1
225.12697	1.2
225.16158	1.5
227.14319	1.3
229.14137	1.3
231.13704	1.0
233.13200	1.1
233.15262	0.8
235.14967	2.5
237.16307	1.9
239.14230	4.2
239.17867	0.9
241.15871	1.0
243.13721	1.1
243.17352	0.8
245.12988	0.7
245.15256	0.7
247.14764	1.3
249.16223	1.7
253.15689	1.8
257.15182	1.8
258.08786	1.1
259.16785	1.6
267.17447	1.5
269.15280	0.8
271.16815	2.9
275.16400	0.9
285.18118	0.7
303.19241	0.7
305.22391	1.1
315.21051	1.4
323.23764	2.6
333.22034	7.7
341.24741	5.3
351.23120	26.0
352.23090	0.9
359.25845	1.0
369.24216	16.8
370.24661	0.7
387.25235	10.5
389.24109	0.8
393.23807	0.7
407.25510	0.8
415.28326	0.6
425.26801	8.3
433.29169	2.6
443.27859	100.0
444.28186	4.2
459.25259	0.6
461.28922	73.4
462.29166	3.0
467.27618	0.8
479.30151	1.1
485.28876	2.1
497.28244	0.6
503.30017	2.2
509.29343	0.6
545.30438	0.7
551.29877	1.3
569.30988	1.5
587.32062	2.3
605.32733	3.6
622.76489	0.6
623.34363	4.4
785.39148	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.7
55.05253	1.0
55.05504	13.1
55.05762	0.5
57.03173	0.9
57.03427	8.3
59.04991	1.0
61.02923	1.3
65.03924	3.0
67.05496	22.2
69.03418	27.2
69.07061	5.4
71.01335	1.3
71.04979	7.6
71.62540	0.8
73.02904	2.2
77.03926	0.6
77.13701	0.5
79.05482	21.8
81.03406	100.0
81.07047	25.3
83.04974	17.5
83.05381	0.4
83.08609	15.6
83.20918	0.5
85.02892	17.9
85.06548	1.7
91.05466	27.2
93.07029	16.6
95.01308	0.8
95.04347	1.3
95.04955	23.7
95.08588	8.9
97.02879	26.0
97.06506	6.3
97.10152	5.5
98.03179	0.7
99.04436	7.9
99.08076	1.3
101.02367	2.0
101.06018	0.5
103.03965	0.7
103.05457	1.3
103.87154	0.6
105.07016	20.3
107.04939	9.9
107.08585	9.1
109.02865	23.6
109.06504	4.4
109.10139	3.8
111.04433	11.6
111.08067	8.5
113.02389	0.6
113.06003	1.9
115.05450	2.1
117.07002	4.4
119.04948	1.6
119.08569	16.5
121.02876	1.7
121.06488	3.7
121.10133	7.7
123.04428	4.0
123.08024	3.1
123.11698	2.5
125.02358	1.1
125.06001	1.5
125.09630	3.5
127.03896	16.6
127.07551	0.7
128.06192	1.3
129.05504	3.0
129.06973	9.7
131.04909	2.2
131.08556	10.3
133.06482	3.5
133.10115	8.7
135.04408	1.3
135.08064	1.9
135.11694	2.5
137.05981	1.8
137.09595	1.6
139.03912	1.2
141.06975	1.1
142.07782	1.7
143.08571	2.3
145.04933	1.4
145.06461	2.2
145.10127	4.9
147.04393	3.7
147.08032	2.6
147.11673	17.6
149.02318	0.5
149.05960	2.5
149.09613	4.4
149.13283	0.8
151.03932	0.9
151.07526	0.8
151.11086	0.7
153.05496	1.2
153.12758	1.6
155.08571	1.4
157.06435	1.3
157.10124	11.0
159.08070	1.2
159.11699	1.5
161.05978	1.8
163.03979	0.7
163.07539	1.1
163.11165	4.4
165.05527	1.4
165.09189	0.6
165.12723	4.9
167.07033	2.3
167.08498	0.9
169.04974	0.8
169.06519	0.7
169.10165	1.2
171.08060	1.9
171.11713	1.2
173.04453	10.6
173.05750	0.4
173.09639	1.4
173.13203	0.8
175.07590	0.8
175.11166	10.3
177.12659	0.8
181.12222	2.9
183.06560	1.4
183.08119	0.7
183.11772	0.8
183.13695	0.7
185.09674	0.7
185.13226	0.9
187.11107	0.7
189.05423	0.9
189.11194	1.3
189.12750	1.3
191.10608	3.4
193.12213	33.2
194.12704	0.8
197.09718	0.7
199.11301	0.6
201.12669	0.8
203.10487	0.6
205.12254	0.6
209.11626	1.1
211.13257	49.0
212.13614	1.0
213.12825	1.0
215.10815	0.9
217.12309	0.9
223.13341	0.6
227.12653	6.2
229.12415	0.7
229.14313	3.6
231.13875	1.1
235.13370	2.0
245.15520	1.0
247.13307	1.1
249.14885	3.2
250.62610	0.6
253.07166	1.9
255.13890	1.8
259.13416	0.7
267.15881	13.9
268.16260	0.8
268.19043	0.6
271.07950	0.9
273.14713	2.6
277.14471	1.5
283.12872	0.9
283.15482	1.6
285.16937	10.0
289.14584	0.8
291.15808	1.5
295.15317	0.6
301.14209	4.9
309.17383	0.7
313.16422	1.4
319.15332	3.1
321.17166	0.6
337.16385	5.6
347.18430	0.9
355.17477	8.1
359.14719	2.6
360.15231	1.9
365.19751	0.8
365.87109	0.6
367.23004	0.8
375.18076	2.4
385.23755	1.2
393.18933	4.5
411.20041	9.5
429.21118	4.5
459.27356	7.9
463.19666	1.1
477.28458	5.7
481.20724	0.6
482.19940	0.6
495.29520	4.7
499.21698	1.4
501.28293	0.9
519.29675	0.8
529.28271	0.8
537.23041	0.6
543.28497	0.8
555.23859	1.1
557.31610	0.6
567.29761	1.5
568.76050	0.6
585.30188	2.8
603.31757	4.7
621.32562	11.9
622.33197	1.2
639.33698	5.3
729.34772	1.7
747.35822	2.4
765.36584	5.0
766.38495	0.8
783.37891	24.6
784.38623	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01589	0.1
63.13281	0.1
65.03931	1.2
66.34180	0.1
67.05497	0.1
67.33635	0.1
69.03417	0.1
70.93443	0.1
75.51094	0.1
79.05470	0.2
81.03416	0.5
81.07028	0.1
83.04964	0.1
85.02897	0.1
86.35535	0.1
86.86915	0.1
91.05470	12.0
92.05779	0.1
93.07043	0.1
95.04942	0.2
97.02877	0.2
105.07046	0.1
107.04966	0.1
107.08540	0.1
107.87919	0.1
109.02869	0.2
119.04928	26.8
120.05226	0.4
121.02823	0.2
127.03909	0.1
129.06973	0.1
133.10161	0.1
140.67691	0.1
147.04391	100.0
148.04729	1.6
153.01788	0.1
165.01826	0.1
211.07666	0.1
211.37090	0.1
213.05463	0.1
229.45445	0.1
255.06445	0.2
287.05475	5.3
288.05807	0.2
293.07996	0.1
351.10815	0.1
379.29648	0.1
456.24789	0.1
497.14191	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.1
55.05511	0.1
61.02890	0.0
63.02355	0.1
65.03922	1.1
65.04269	0.1
67.05508	0.2
69.03418	0.1
69.07069	0.0
69.45776	0.3
75.02364	0.0
79.05483	0.1
81.03409	0.2
81.07025	0.2
91.05465	10.2
92.05792	0.1
93.07027	0.1
94.54291	0.0
95.04978	0.1
95.08616	0.1
97.02901	0.1
107.04987	0.0
109.02871	0.2
109.10130	0.1
111.04411	0.0
118.04062	0.0
119.04922	23.6
120.05241	0.4
121.02888	0.1
122.31869	0.0
127.03880	0.2
129.06837	0.0
147.04382	100.0
148.04721	1.8
148.05940	0.1
153.01776	0.1
157.06493	0.1
165.01826	0.1
165.06952	0.1
184.07162	0.1
185.05997	0.1
204.67570	0.0
207.06413	0.1
213.05545	0.1
229.14476	0.1
231.06491	0.2
255.06474	0.1
258.05267	0.1
269.17511	0.1
273.07532	0.1
287.05457	2.3
310.28528	0.0
333.09543	0.2
351.10486	0.1
423.27017	0.2
424.27563	0.1
437.12265	0.3
497.14432	0.5
627.06635	0.0
783.39935	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.1
57.02146	0.1
57.03417	0.1
58.74427	0.1
65.03924	1.1
67.05495	0.3
69.03418	0.2
70.29249	0.2
79.05461	0.2
81.03400	0.5
81.07056	0.3
81.62473	0.1
83.08600	0.1
85.02895	0.1
91.05464	8.5
92.05776	0.1
93.07025	0.1
95.04954	0.2
95.08560	0.1
97.02866	0.2
99.04450	0.1
107.08554	0.1
109.02866	0.3
109.10117	0.2
119.04921	22.6
120.05255	0.4
121.02875	0.1
121.06468	0.1
127.03876	0.4
131.08540	0.1
133.10190	0.1
135.11705	0.1
141.06998	0.1
147.04382	100.0
148.04712	1.8
151.11331	0.1
157.06506	0.1
165.05478	0.1
165.06877	0.1
185.06004	0.1
187.07312	0.1
207.06456	0.4
210.01469	0.1
211.07491	0.1
213.05403	0.1
227.06862	0.1
228.43393	0.1
229.50211	0.1
231.06499	0.2
255.06487	0.2
269.17447	0.1
273.07654	0.1
287.05453	2.0
291.08661	0.1
294.12186	0.1
315.08505	0.1
333.09528	0.4
397.55283	0.1
423.27133	0.2
424.27570	0.1
437.12311	1.1
497.14438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.0
67.05470	0.1
68.36228	0.1
69.48942	0.8
71.70280	0.1
81.03407	0.2
85.02902	0.1
91.05466	10.9
92.05778	0.2
95.04967	0.1
97.02873	0.1
99.04388	0.1
107.91705	0.1
109.02824	0.3
119.04922	25.3
120.05232	0.3
121.02821	0.1
138.07333	0.1
140.91179	0.1
147.04385	100.0
147.91974	0.1
148.04721	2.0
153.01781	0.2
157.06456	0.1
165.07072	0.1
196.51070	0.1
231.06647	0.1
247.68561	0.1
287.05444	3.1
288.05719	0.1
313.12289	0.1
333.09335	0.1
344.41977	0.1
394.70203	0.1
437.11810	0.1
497.14334	0.3
677.79236	0.1
773.58649	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	780.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.6
57.97438	0.1
58.06620	0.4
59.07383	0.2
60.08157	5.8
67.05481	0.4
69.07063	0.1
70.06561	0.1
70.80408	0.2
70.80798	0.2
71.06970	0.1
71.07363	2.7
79.05486	0.2
81.07048	0.4
86.09695	29.6
87.10023	0.2
92.47986	0.1
93.07012	0.3
95.08578	0.3
98.55132	0.1
98.98458	2.7
104.10731	1.8
105.07000	0.1
107.08556	0.1
109.10117	0.2
123.11740	0.1
124.99992	18.6
131.08542	0.1
133.10054	0.1
140.00990	0.1
143.01038	0.4
145.10103	0.1
151.07489	0.2
166.02599	0.3
183.35997	0.1
184.07318	100.0
185.07689	0.7
309.31796	0.1
322.58591	0.1
323.25763	0.2
510.01532	0.1
518.32538	0.2
582.22290	0.1
780.41333	0.2
780.55231	3.3
780.69452	0.2
781.55133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
55.05499	2.2
57.03425	2.9
61.02925	8.4
63.51149	1.2
67.05500	8.4
69.03422	3.9
69.07054	4.8
70.06599	2.6
70.52799	1.4
70.78160	3.2
70.78494	2.7
73.02909	6.7
79.05495	4.5
81.03406	5.1
81.07049	12.6
83.08600	3.9
85.02894	9.0
86.09686	7.3
91.03949	5.9
91.05460	6.5
93.07050	7.1
95.04961	2.0
95.08616	6.2
97.02858	8.2
97.06534	2.4
97.10174	2.8
99.04484	1.4
101.02375	2.9
105.07025	4.3
107.08598	7.5
109.02886	2.2
109.10125	3.4
114.24607	1.4
119.08586	3.0
121.06506	1.6
121.10143	3.6
125.00007	5.6
127.03892	2.9
128.47897	1.3
129.05473	2.1
131.08556	1.4
133.10191	1.6
135.11717	4.1
145.04933	2.3
147.11685	3.8
149.13248	2.7
156.03896	1.5
159.11751	1.7
164.62904	1.5
168.57698	1.4
177.12660	1.5
184.07338	20.8
185.04185	6.8
185.07634	2.6
201.03709	3.1
203.05275	2.1
205.36722	1.5
243.08388	7.6
251.12665	1.8
269.17255	2.5
275.20184	2.7
277.14291	1.4
288.22748	1.6
301.08942	12.9
307.22586	1.8
315.10483	8.8
327.10318	2.1
341.12274	1.7
357.15054	1.4
369.15329	3.2
371.16522	7.6
373.11121	6.4
380.14572	1.8
385.18332	6.7
387.12793	3.7
413.18234	2.0
425.21606	4.9
429.17548	3.4
439.19299	9.1
443.18814	2.1
453.20917	10.8
455.18985	2.0
469.20602	9.4
481.20541	6.2
483.22134	4.8
484.23010	2.6
485.19974	2.9
495.21759	2.1
511.21722	5.8
525.22949	3.7
531.29706	2.1
535.28754	2.2
551.28705	1.6
553.22388	3.1
567.31403	100.0
568.31781	5.4
579.32135	3.0
607.30896	1.9
609.29614	2.4
621.32416	4.0
622.33282	7.7
625.32257	3.2
635.33630	3.6
636.35303	2.0
651.33258	15.7
654.32440	3.0
693.34479	14.5
733.41272	38.8
734.42438	3.1
739.25464	1.7
761.40912	4.3
777.40436	9.6
779.41437	85.5
780.41272	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	779.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
55.05487	2.1
57.03427	2.0
57.07062	1.0
61.02918	5.7
67.05490	5.3
69.03401	2.5
69.07060	2.8
71.04974	1.6
71.62309	0.7
71.62669	0.6
73.02912	3.3
79.05486	4.8
79.47868	0.5
81.03407	6.7
81.07045	7.1
83.04967	1.7
83.08621	2.1
85.02896	6.8
85.06527	0.8
86.09676	3.4
91.03941	3.5
91.05472	4.8
93.07027	4.8
95.04961	2.6
95.08586	2.8
97.02885	5.2
97.06493	1.4
98.98431	0.8
99.04436	1.0
101.02363	2.1
105.07008	3.6
107.04960	1.0
107.08588	2.3
109.02868	0.9
109.06510	1.5
109.10175	2.2
111.08073	0.9
117.07001	1.0
119.08559	3.4
119.73960	0.6
121.10129	2.1
125.00008	3.0
125.09603	1.1
127.03963	1.5
129.07045	0.9
131.08553	1.5
133.10123	2.2
135.08125	0.9
135.11662	1.7
145.10158	1.4
147.11673	2.7
149.09615	1.0
149.13228	0.8
157.10152	1.6
177.12625	0.8
177.19580	0.7
184.07315	13.9
185.07730	1.9
193.12273	1.9
193.73137	0.6
211.13306	2.0
243.08435	2.7
250.51868	0.6
251.12634	2.1
285.17224	0.8
333.20395	2.4
401.78152	0.7
439.19339	0.9
453.21063	1.3
469.20370	13.4
551.27960	3.4
552.27863	0.8
591.58624	0.6
681.34821	1.6
779.41730	100.0
780.42322	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05503	2.3
57.03423	1.9
57.07073	0.4
58.06589	0.3
60.08160	1.1
61.02629	0.4
61.02918	4.5
65.03932	0.4
67.05496	3.9
69.03416	3.1
69.07059	2.5
71.01347	0.6
71.04981	0.6
71.07351	0.6
71.62888	0.2
73.02909	3.3
79.05480	3.3
81.03406	4.1
81.07046	4.2
83.04980	1.2
83.08612	1.6
85.02893	5.5
85.06537	0.4
86.09695	5.6
87.04462	0.3
87.10033	0.9
90.10143	0.2
91.03951	2.6
91.05461	4.6
93.07030	3.0
95.04962	2.1
95.08593	1.9
97.02880	4.4
97.06519	0.9
97.10173	0.6
98.98477	0.7
99.04457	0.9
101.02373	1.8
103.03915	0.4
104.10724	0.4
105.07014	3.1
107.04972	0.8
107.08571	2.1
109.02871	1.0
109.06522	0.8
109.10165	0.9
111.08082	0.6
115.03925	0.5
117.07023	0.6
119.08572	2.3
121.06456	0.3
121.10144	1.3
123.08051	0.4
123.11770	0.2
124.99995	3.9
125.09621	0.5
127.03915	1.3
129.05461	0.3
129.07007	0.9
131.08534	1.6
133.10114	1.6
135.08073	0.4
135.11696	0.8
145.10147	0.6
147.11652	1.5
149.09637	0.8
157.10100	1.3
159.11647	0.3
165.12755	0.3
171.11752	0.3
175.11243	0.8
184.07317	22.0
185.04222	0.5
185.07693	3.7
193.12216	1.8
203.05266	0.3
211.13329	0.9
221.11438	0.4
229.97746	0.2
241.06761	0.2
243.08365	2.9
251.12567	1.1
265.00601	0.2
277.14264	0.2
307.15118	0.6
332.07260	0.3
333.20248	2.6
383.17230	0.2
389.23169	0.7
426.08826	0.3
439.19504	0.6
453.21014	0.7
469.20401	10.8
470.20737	0.5
470.52097	0.3
494.00989	0.2
551.28223	5.3
552.28217	0.3
681.34735	0.3
779.41736	100.0
780.42023	9.0
780.56586	0.4
805.04010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5364
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
55.05489	0.2
56.05031	0.8
56.30657	0.1
57.07063	0.2
58.06627	0.5
60.08154	6.3
60.32527	0.1
65.50674	0.1
67.05473	0.3
69.07053	0.1
69.27712	0.2
69.28022	1.5
71.07362	3.0
79.05491	0.3
81.07038	0.4
86.09692	29.0
89.81735	0.1
93.07030	0.2
95.08605	0.2
98.21490	0.3
98.98451	2.8
104.10738	1.9
105.07000	0.2
107.08548	0.2
109.10167	0.2
116.99434	0.2
119.08579	0.3
121.10111	0.2
124.99986	18.5
143.01048	0.4
166.02644	0.4
184.07312	100.0
185.07626	0.6
226.16301	0.1
310.26352	0.1
500.31097	0.3
518.31641	0.2
778.53571	3.0
779.54462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
55.05501	2.7
57.03431	3.6
60.08150	0.6
61.02920	6.0
62.37036	0.4
67.05498	7.2
68.05815	1.2
69.03428	3.1
69.07056	3.4
71.01348	0.5
71.04989	1.2
71.15892	0.4
71.62652	0.5
73.02908	3.7
75.04462	0.4
79.05486	6.8
80.05817	0.9
81.03403	7.8
81.07050	8.5
82.07377	1.1
83.04963	2.2
83.08598	2.3
85.02901	8.1
85.03409	0.5
85.06526	0.6
86.09703	4.1
87.04474	0.4
91.03942	2.8
91.05469	7.5
92.05802	0.8
93.07034	5.8
94.07368	0.8
95.04969	4.2
95.08592	4.3
95.33402	0.4
96.05303	0.6
97.02873	4.6
97.06542	1.1
97.10169	1.0
99.04460	1.1
99.82834	0.5
101.02364	2.0
101.05997	0.4
105.07011	6.5
106.07354	1.2
106.44553	0.4
107.04948	1.5
107.08576	3.2
108.08920	0.7
109.02894	0.9
109.06534	1.4
109.10101	2.0
111.08120	1.0
115.03939	0.7
117.07016	1.5
119.08568	4.5
120.08916	1.1
120.72857	0.4
121.06512	0.5
121.10143	2.6
122.10482	0.7
123.08031	1.0
123.11718	0.5
124.99973	2.0
125.09602	0.7
127.03912	1.2
129.05528	0.4
129.07002	1.6
131.08574	2.9
132.08884	0.6
133.06485	0.7
133.10127	3.7
134.10461	0.9
135.11716	1.0
137.09619	0.6
142.07777	0.5
143.08502	0.6
145.04974	0.5
145.10141	1.3
146.10396	0.6
147.08121	0.6
147.11693	2.8
148.12006	0.8
149.09662	1.1
149.13266	0.8
150.13564	0.7
151.11160	0.5
154.49696	0.5
157.10135	1.2
158.10387	0.5
159.11688	0.6
161.13245	0.5
163.11218	0.6
165.12791	0.8
171.11746	0.8
175.11183	1.4
184.07309	14.5
185.04265	0.9
185.07829	0.5
193.12218	3.7
194.12553	1.2
203.05281	0.5
211.13222	2.3
212.13658	1.1
213.13858	0.5
243.08403	3.1
251.12595	1.1
259.20639	0.5
260.20944	0.9
267.15924	0.9
273.18753	0.5
276.20407	0.6
285.17139	1.2
286.17392	0.9
287.17395	0.6
291.19824	0.5
307.15222	0.9
313.17749	1.1
331.18753	2.9
334.24432	0.7
437.17493	0.5
451.19434	1.1
467.19318	0.5
469.20352	10.9
480.30243	0.8
481.31445	0.5
526.35339	0.5
531.25806	1.4
541.22388	1.6
544.37433	1.0
545.37079	0.5
546.37537	0.8
549.26501	2.1
679.32880	1.4
708.33496	0.5
759.39130	7.1
777.40173	100.0
778.40741	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	777.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
55.05499	2.8
56.67557	0.3
57.03432	2.3
57.07069	0.4
60.08149	1.7
61.02919	4.2
67.05492	5.8
68.05818	0.4
69.03423	3.9
69.06700	0.4
69.07054	3.4
69.46178	3.4
69.46475	0.3
71.01323	0.5
71.04984	1.3
71.07357	0.9
73.02909	3.2
79.05482	4.4
81.03397	4.6
81.07047	6.5
83.01366	0.5
83.04970	1.7
83.08611	1.8
85.02890	5.5
86.09692	7.6
87.04457	0.8
87.10043	0.8
89.06026	1.0
91.03957	2.3
91.05460	4.7
93.07021	4.1
94.07359	0.5
95.04948	2.2
95.08604	2.9
97.02881	4.8
97.06529	1.2
97.10162	1.6
98.98466	0.9
99.04458	1.1
99.08049	0.4
101.02382	1.2
104.10740	0.6
105.07011	4.1
106.07391	0.5
107.04944	1.4
107.08572	2.7
109.02876	0.9
109.06525	1.0
109.10168	1.9
111.04385	0.6
111.08086	0.5
115.03926	0.5
115.05504	0.4
117.07008	1.0
119.08546	3.1
120.08842	0.3
121.06481	0.4
121.10157	1.4
123.08042	0.4
124.99992	5.2
125.09617	1.0
127.03874	1.8
129.06952	0.7
131.08543	1.8
133.10132	1.8
135.08038	0.4
135.11690	1.5
145.10126	1.5
147.08081	0.5
147.11642	1.3
149.09599	0.8
157.10088	0.9
159.11581	0.4
163.11166	1.8
175.11125	0.7
183.06503	0.5
184.07309	24.8
185.04204	0.5
185.07690	3.0
187.11197	0.4
189.11179	0.4
193.12196	1.8
199.16985	1.4
211.13315	0.5
223.13318	0.9
243.08385	3.2
245.63301	0.3
251.12576	0.5
255.15810	0.4
275.20108	0.5
286.17303	0.3
291.16028	0.4
291.19669	1.1
331.18695	1.7
333.20377	1.0
387.21573	0.4
459.80853	0.4
464.26889	0.4
467.18924	3.7
469.20419	6.1
504.34103	0.6
544.37183	0.6
549.26617	2.6
551.28351	1.5
562.38043	0.6
710.44397	0.9
777.40179	100.0
778.40283	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	774.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.0
55.05254	1.4
55.05501	17.4
57.03430	19.9
57.07044	3.4
67.05495	55.6
69.03407	3.8
69.06769	1.1
69.07056	12.0
69.60067	4.9
69.60473	1.7
71.04972	3.6
73.02897	1.0
79.05479	38.4
81.03403	83.5
81.07043	60.5
83.04968	5.0
83.08134	1.5
83.08607	22.8
85.02887	2.5
85.06559	2.1
85.10224	0.9
85.30582	1.0
91.05466	30.3
91.61897	0.8
93.07028	44.6
95.04953	27.1
95.08595	43.5
97.02866	2.4
97.06532	5.2
97.10133	7.4
99.08074	1.3
105.07009	24.2
107.04929	6.9
107.08580	29.7
109.02918	1.3
109.06477	3.9
109.09446	1.7
109.10140	21.7
111.04428	2.2
111.08059	8.0
115.05437	2.5
117.07007	8.1
119.08567	23.8
121.06480	4.0
121.10123	24.0
123.04410	1.5
123.08089	2.4
123.11678	6.9
125.09581	4.8
129.06964	9.9
131.08542	18.7
133.06444	3.2
133.10124	13.1
135.08025	2.3
135.11667	13.5
137.09618	2.1
137.13190	2.3
142.07747	2.7
143.08557	2.2
145.10092	9.8
147.04393	2.0
147.08005	3.9
147.11668	16.3
149.09586	5.3
149.13226	9.2
151.11171	1.5
155.08578	1.8
157.10100	11.9
159.11632	7.9
161.13269	4.2
163.14816	3.8
165.12698	1.9
171.11613	1.6
173.13242	7.7
175.11185	8.3
175.14717	2.1
177.12808	1.4
177.16302	1.9
183.11743	1.2
184.07318	1.8
185.09619	1.1
185.13277	1.8
187.14783	3.4
189.11137	3.2
193.12218	23.4
199.14798	1.2
201.12650	1.1
201.16312	2.3
211.13254	1.9
223.13118	1.3
227.12715	8.1
243.21091	4.5
249.14778	2.7
258.75262	1.0
261.22104	21.2
267.15869	100.0
268.16245	2.6
277.21225	1.1
279.23276	1.4
285.22235	1.3
299.23495	1.5
301.14359	1.3
301.25244	4.7
309.16852	2.9
317.24646	3.7
318.87546	1.1
335.25748	90.4
336.26138	4.2
349.24847	1.1
359.25751	1.6
421.25748	2.3
435.27475	2.2
435.32745	5.0
453.33621	7.4
471.34558	4.4
509.36328	2.9
527.37268	69.9
528.37726	5.9
545.38251	59.5
545.46753	1.9
546.38446	3.7
559.39301	1.7
569.38300	5.6
577.40607	1.1
623.62231	1.0
635.39142	1.6
653.39966	1.1
671.40985	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.4
55.05503	19.2
57.03427	11.9
57.07047	1.8
58.44622	1.0
59.36263	0.9
61.02919	2.9
65.03931	2.2
67.05492	53.1
69.03416	6.3
69.07055	28.7
71.04983	4.5
73.02889	2.0
73.06556	1.0
75.41940	0.9
79.05135	0.8
79.05478	36.9
81.03409	11.9
81.07042	100.0
82.03759	1.1
82.07376	2.4
83.04965	12.4
83.08608	15.1
85.02899	4.9
85.06540	6.7
91.03960	1.1
91.05465	43.7
93.07027	39.0
95.04955	8.9
95.08588	31.7
95.82510	1.1
97.02881	4.1
97.06514	13.0
97.10165	7.5
99.04462	2.4
99.08088	5.1
103.05441	1.0
105.07011	47.2
106.07366	1.8
107.04915	5.4
107.08569	31.4
109.02858	1.8
109.06504	8.3
109.10117	8.4
111.04449	1.3
111.08058	4.8
117.07005	9.8
119.08562	32.0
120.08886	2.0
121.06505	2.9
121.10125	26.5
122.10451	1.6
123.08044	5.3
123.11681	28.1
124.99938	1.0
125.09605	7.0
127.03905	2.1
127.07551	3.0
128.06256	1.1
129.07008	3.4
131.08540	13.1
131.63144	1.0
133.10117	15.6
134.10439	1.6
135.08044	2.7
135.11681	8.0
137.09590	1.2
137.13295	2.0
141.06989	1.9
141.09171	1.5
142.07782	1.2
143.08530	3.1
145.10092	11.3
147.07988	2.0
147.11662	61.9
148.12051	2.1
149.09575	10.8
149.13246	6.5
151.11166	3.7
155.08562	1.3
157.10149	5.6
159.11681	9.7
161.09622	1.8
161.13260	3.1
163.11234	6.5
165.12712	21.2
169.10091	1.7
171.11667	1.6
173.04457	1.3
173.13219	1.9
175.11201	3.6
177.12720	3.5
179.14360	1.7
181.12357	1.2
183.11763	1.4
183.13718	1.5
184.07339	2.8
185.13316	1.6
189.11205	1.9
193.12257	3.8
194.12561	1.1
195.13802	2.7
197.13144	1.3
211.13255	3.9
212.13579	2.1
227.12744	8.3
229.14354	4.5
229.19391	1.8
239.17934	2.9
245.13779	1.3
247.20615	2.8
251.16388	1.3
253.14386	3.4
254.14821	1.4
255.15828	7.6
257.18994	6.6
259.20596	2.4
267.15878	68.9
268.16284	2.9
269.17429	17.2
273.18417	1.7
275.20016	27.1
285.16925	54.6
286.17242	2.9
291.19376	1.2
293.20959	4.0
321.24130	1.4
331.22644	2.4
349.23672	32.4
365.23148	1.5
366.23456	1.6
367.24579	3.5
383.22644	1.0
395.20547	1.5
413.21487	1.6
437.25305	2.8
439.26932	1.8
446.25116	1.2
455.26535	2.2
461.28552	1.9
465.28394	16.5
477.28241	1.7
479.29953	54.5
480.30148	3.4
483.28830	1.1
519.32458	1.4
541.35052	4.8
559.36169	50.2
560.36517	3.6
575.36188	1.3
576.36127	1.7
577.36945	11.3
599.30341	1.3
623.34229	1.3
762.38806	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.5
55.05503	28.2
55.86190	0.9
57.03428	17.5
57.07059	2.5
57.24037	1.0
59.04971	1.9
61.02919	7.7
65.03919	3.9
67.05496	97.7
68.05003	2.0
68.05820	1.6
69.03415	13.1
69.07059	46.3
69.72457	6.2
71.01341	2.7
71.04985	8.3
71.08604	1.9
73.02895	3.5
79.05484	51.5
80.05821	1.8
81.03409	20.0
81.07047	100.0
82.07407	1.1
83.04970	12.0
83.08147	1.3
83.08612	22.0
85.02892	10.3
85.06530	5.6
86.09721	2.1
91.03934	2.9
91.04893	1.6
91.05469	54.1
93.07031	68.5
94.07305	1.3
95.04959	17.8
95.08595	41.6
97.02884	10.7
97.06516	17.1
97.10155	8.3
98.07309	1.5
99.04424	1.9
99.08065	4.6
103.05437	2.2
105.04502	2.1
105.07018	30.2
107.04944	8.2
107.08583	40.2
108.08894	1.0
109.02848	2.9
109.06521	6.8
109.10139	29.5
110.10513	1.0
111.04449	2.7
111.08064	9.8
113.09579	1.2
115.05444	1.1
117.06998	14.5
119.08570	24.0
121.06503	6.9
121.10126	19.2
123.04308	1.0
123.08066	8.4
123.11694	8.2
125.09600	5.6
127.03920	5.7
127.07500	1.3
128.06186	1.4
129.05464	7.3
129.06978	4.1
131.08542	17.4
133.06479	2.7
133.10110	26.1
135.08041	5.2
135.11674	19.2
137.09595	14.0
139.11166	2.2
141.06935	1.5
143.06900	1.2
143.08533	2.8
145.10114	9.0
147.08012	2.3
147.11671	12.9
149.09595	20.1
149.13235	17.3
151.11191	5.7
153.09073	1.4
153.12753	1.1
155.08511	1.3
155.10585	2.1
157.08801	1.0
157.10109	4.2
159.11687	14.1
161.09619	2.5
161.13202	3.1
163.11137	5.7
164.82230	0.9
165.12708	4.3
167.10628	1.4
167.14206	1.0
169.10091	1.2
169.12251	1.2
171.10217	0.9
171.11633	2.5
173.04486	2.8
173.11775	9.4
173.13161	2.2
175.11176	2.6
177.12691	7.2
179.14268	5.7
181.12251	1.4
183.11673	1.6
184.07373	4.7
184.13397	1.2
187.13213	2.2
187.14732	1.3
189.11156	2.2
193.12238	2.9
195.13771	20.4
195.74332	1.0
199.13147	1.9
199.14810	1.7
207.13805	1.1
211.13229	2.2
213.14816	3.7
227.12753	2.9
229.14314	11.7
239.16278	1.1
241.17944	1.9
243.15945	6.4
251.16214	1.4
253.14326	4.1
255.15823	7.6
257.18872	2.7
259.20471	1.4
267.15887	9.3
269.17441	60.4
273.18451	3.9
275.20047	11.1
277.21518	2.7
285.16962	6.9
291.19492	8.7
293.20929	3.3
301.16202	1.3
332.90747	1.0
349.23691	16.8
351.25433	1.8
365.22888	7.1
365.26837	3.4
367.24692	1.1
373.18484	3.9
383.28094	1.7
393.26358	1.4
420.28598	2.7
423.27325	33.6
424.27487	2.5
437.29156	10.8
447.30966	3.3
449.28958	6.4
461.28876	2.7
462.29410	3.1
463.30322	4.0
465.28458	1.9
479.30014	5.7
491.29962	1.3
503.76462	1.0
525.35236	1.5
543.36737	25.3
544.36853	1.4
559.35931	3.1
561.37842	4.3
567.31213	2.8
577.37122	6.8
621.98560	1.3
774.41156	2.3
775.37561	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	774.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.7
55.05500	26.7
57.03426	18.8
57.07060	1.0
61.02901	3.1
61.12013	1.2
65.03934	2.5
67.05489	55.4
69.03413	8.4
69.07056	23.9
69.34853	9.9
71.01340	1.4
71.04980	9.1
73.02919	1.1
78.05956	0.9
79.05477	49.8
81.03401	63.4
81.07040	72.7
82.07343	1.0
83.04966	22.3
83.08604	28.9
85.02888	26.6
85.06519	4.0
87.04446	1.3
91.03954	1.8
91.05463	54.7
93.07024	50.5
95.04949	28.0
95.08580	25.8
97.02852	5.5
97.06513	13.3
97.10152	7.8
99.04444	1.7
99.08080	2.6
103.05419	1.0
105.04483	1.1
105.07007	39.6
107.04932	11.2
107.08574	27.1
109.02859	1.2
109.06489	9.4
109.10124	9.5
110.03149	1.1
111.04453	4.0
111.08054	14.1
113.05978	2.4
115.05425	2.1
117.06984	10.7
119.04925	1.6
119.08558	30.9
121.06458	4.9
121.10118	18.4
123.08066	4.6
123.11655	4.3
124.99980	0.9
125.09613	2.9
127.03903	2.8
128.06183	1.9
129.05507	1.8
129.06982	17.6
131.08545	20.8
133.06480	2.9
133.10110	25.4
135.08031	3.0
135.11674	12.6
137.09595	4.8
141.06963	1.7
142.07764	2.3
143.08546	2.7
145.10107	11.6
147.08002	4.2
147.11647	20.6
149.09587	13.6
149.13234	9.7
151.11192	1.6
155.08517	3.1
157.10098	15.1
159.11665	10.8
161.09590	1.1
161.13193	1.5
163.11140	6.9
165.12764	4.5
168.62904	1.0
169.10071	1.8
171.11678	3.3
173.04425	3.0
173.13240	3.1
175.11145	17.6
177.12759	2.1
179.14264	1.4
181.12161	1.3
183.11609	1.5
184.07320	1.9
185.13284	1.5
189.11229	1.8
193.12204	38.0
194.12605	1.6
195.12048	0.9
195.13654	5.1
197.13190	2.0
203.14053	1.1
211.13243	60.9
212.13660	1.8
217.15845	1.2
217.86086	0.9
227.12769	3.6
229.14252	1.0
229.19424	1.1
239.17902	2.0
247.20448	1.5
249.14864	0.9
255.15842	11.2
257.18927	4.9
267.15875	36.0
269.17426	36.7
270.17743	1.7
273.18317	1.2
275.19992	18.8
285.16910	68.0
286.17297	2.6
293.21008	1.8
321.24191	1.3
331.22586	2.2
349.23688	19.3
350.24033	1.3
367.24765	3.3
425.72086	0.9
429.92462	1.1
435.27094	1.3
439.26492	1.1
443.27966	3.5
447.27353	11.6
449.30283	0.9
453.32434	0.8
461.28897	37.4
462.29172	3.9
463.29935	1.0
465.28406	20.4
466.28503	1.3
467.31342	1.3
479.29932	100.0
480.30292	6.5
523.33423	1.3
531.36469	1.5
541.34912	8.9
559.36255	24.6
560.36322	2.2
577.37384	7.3
578.37732	1.3
605.32819	1.1
623.33966	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	774.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23730	1.5
55.01867	12.5
55.05502	38.1
57.03430	24.6
57.07068	2.0
61.02900	5.7
65.03924	3.0
67.05496	77.9
69.03419	14.6
69.07058	40.1
69.35224	15.8
71.04985	12.9
71.08625	1.9
77.03883	1.4
79.05482	74.1
81.03409	92.3
81.07045	100.0
83.04968	28.8
83.08607	50.2
85.02892	41.4
85.03411	1.7
85.06524	5.0
91.03941	3.2
91.05468	79.7
93.07031	63.7
95.04958	46.4
95.08589	40.9
97.02885	13.4
97.06517	20.2
97.10159	20.2
98.42696	1.6
99.04425	3.2
99.08070	4.4
105.07018	65.3
107.04945	16.0
107.08581	50.6
109.02891	2.0
109.06490	15.5
109.10146	18.4
111.04407	4.7
111.08057	20.4
113.06003	4.0
115.05411	4.2
116.06225	2.1
117.07015	18.1
119.04948	2.4
119.08568	51.7
121.06490	4.8
121.09290	2.7
121.10115	28.7
123.08044	6.9
123.11686	5.1
125.09634	17.2
127.03899	4.7
129.05457	1.9
129.06970	17.5
130.01353	1.4
131.08551	41.9
133.06499	4.4
133.10109	42.1
135.08040	3.9
135.11678	18.0
137.09573	7.0
141.07004	1.5
142.07753	5.3
143.08531	5.9
145.10098	17.7
147.08037	7.9
147.11662	38.2
149.09605	25.6
149.13257	12.0
151.11168	4.8
155.08537	2.2
157.10107	26.3
159.11671	17.7
161.09595	1.6
161.13228	3.3
163.11143	11.1
165.12726	7.0
169.10092	3.8
171.08121	1.8
171.10233	2.2
171.11650	3.7
173.04401	2.7
173.13203	7.8
175.11162	24.6
177.12711	5.6
179.14224	4.0
181.12134	2.5
183.11670	4.1
185.13237	3.1
189.11258	8.2
189.16566	1.8
193.12216	65.5
195.13794	6.4
197.13286	2.5
211.13266	97.0
220.74649	1.4
227.12715	22.9
229.19492	3.4
239.17917	4.8
247.20554	2.7
255.15849	11.6
257.18970	12.5
265.83374	1.5
267.15884	46.8
268.16348	2.3
269.17435	29.1
270.17618	1.7
275.20035	44.8
276.20435	1.9
285.16934	97.4
286.17288	4.2
293.21127	2.8
331.22653	4.7
349.23685	45.4
349.95416	1.8
367.24686	4.1
381.22968	1.6
387.80713	1.6
401.22919	1.7
413.21799	1.8
437.25012	3.4
438.25748	1.7
439.26788	5.1
443.27805	4.0
447.27356	14.1
455.26166	6.9
461.28986	34.1
463.30588	2.3
465.28500	16.8
479.30005	86.9
480.30185	4.4
523.34253	2.1
541.35193	27.7
559.36212	68.4
560.36792	3.5
577.37329	10.5
584.24518	1.7
605.32648	2.0
623.33899	5.3
725.41034	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.1
55.05504	27.6
56.50327	2.0
57.03425	15.8
57.07066	6.1
61.02915	13.5
65.03944	4.4
67.05496	98.7
69.03407	7.9
69.07058	27.7
69.50544	14.2
69.50957	3.2
71.01323	2.1
71.04987	5.0
73.02903	3.6
79.05482	63.2
81.03406	7.9
81.07046	90.1
83.04964	4.8
83.08603	11.7
85.02885	13.3
85.06523	4.1
91.03939	6.1
91.05472	66.4
93.07035	85.1
95.04959	12.6
95.08595	63.1
97.02879	9.0
97.06508	5.2
97.10168	6.5
98.21532	4.5
99.08075	3.4
101.02361	2.5
103.05434	2.8
105.07019	66.7
107.08577	45.9
109.06472	4.0
109.10150	29.6
111.08085	2.8
112.07484	2.0
115.05502	2.7
117.07000	21.0
119.08566	52.7
121.10127	34.6
123.08092	3.5
123.11686	8.1
127.03835	3.6
128.06160	2.8
129.06987	17.3
131.08546	38.5
133.10106	43.5
135.08044	3.6
135.11671	26.7
137.09550	2.5
137.13193	2.3
141.07010	3.1
142.07748	3.4
143.08556	15.7
145.10106	32.5
147.08078	2.7
147.11665	45.1
149.09610	2.2
149.13248	14.5
155.08554	8.1
157.10138	17.2
159.11690	29.3
161.13255	26.2
163.14836	6.2
167.08505	3.8
169.10112	6.8
170.10661	2.0
171.11659	22.8
173.13228	22.9
175.14801	14.8
181.10031	3.3
183.11700	5.7
184.07384	7.5
185.13271	15.8
187.14804	8.4
189.12753	3.6
189.16325	3.8
195.11703	4.3
197.13235	7.6
199.14816	9.4
201.16432	3.1
209.13150	3.4
211.11308	2.2
211.15010	3.1
213.16440	5.7
220.01393	2.2
223.14911	2.7
231.21021	4.5
239.17941	4.7
241.19540	24.2
243.21060	4.6
257.18982	7.2
259.20535	49.6
261.22137	8.0
271.20474	3.1
275.20227	2.8
301.21393	4.0
315.23206	4.5
333.24136	30.2
335.25742	79.7
336.25888	2.7
337.27362	3.2
351.25391	3.3
519.41901	5.7
537.43219	3.3
541.38568	3.5
593.45160	11.2
611.46600	100.0
612.46820	6.9
623.46863	2.6
677.46661	2.4
689.47992	3.1
701.47729	3.2
719.48718	4.7
737.49695	4.8
755.50452	5.7
773.37543	3.1
773.51208	9.5
787.15002	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	15.6
55.05503	43.2
55.19717	1.2
57.03430	23.2
57.07061	2.7
59.04976	4.1
61.02922	11.3
61.92773	1.5
65.03923	3.6
67.05495	79.9
68.05820	2.6
69.03422	12.5
69.06672	1.8
69.07053	34.9
69.38110	7.0
69.38536	6.1
71.01334	3.6
71.04984	10.4
71.08627	1.8
71.67834	1.3
73.02900	5.1
77.03921	1.6
79.05480	88.9
81.02916	1.5
81.03406	27.0
81.07044	87.4
82.07362	4.3
83.01321	11.4
83.04475	2.1
83.04966	26.9
83.08601	26.2
85.02890	15.8
85.06533	5.2
86.09699	1.5
91.03927	5.7
91.05464	87.3
92.05809	3.6
93.07028	100.0
94.07357	3.8
95.04948	22.6
95.08595	45.2
96.04500	1.3
96.08932	1.6
97.02877	14.8
97.06509	16.7
97.10143	6.5
99.04430	5.4
99.08083	4.9
103.03911	1.6
103.05458	3.1
105.04507	1.8
105.07016	86.1
106.07372	3.4
107.04945	20.6
107.08576	51.8
108.05254	2.2
108.08895	3.1
109.02866	3.4
109.06493	14.6
109.10133	21.8
110.10394	1.9
111.04440	6.4
111.08087	7.6
111.11707	1.6
115.05424	3.5
117.07001	28.7
119.08560	62.1
120.08880	2.0
121.06478	9.8
121.10123	28.3
123.04387	1.9
123.08064	13.5
123.11697	5.7
125.05950	4.1
125.09627	8.8
127.03880	4.7
128.06186	3.2
129.05457	4.6
129.06960	12.6
130.07777	3.4
131.04935	1.4
131.08551	33.7
133.06499	2.7
133.10110	52.5
134.10442	3.1
135.08020	9.0
135.11667	27.1
137.09602	6.1
137.13226	1.5
139.07573	1.3
141.06992	2.6
142.07747	1.8
143.08537	12.5
145.04895	2.8
145.06480	2.7
145.10091	42.7
147.08025	4.7
147.11659	29.7
148.12030	1.6
149.09621	13.6
149.13220	14.8
151.11186	6.2
153.09154	1.4
153.12769	3.3
155.08540	3.7
157.10139	11.2
159.11662	20.5
161.09586	5.0
161.13240	15.6
163.11150	37.0
164.11491	1.5
169.10092	3.2
171.08018	1.9
171.11679	9.7
173.09648	4.7
173.13179	8.3
175.11122	2.9
175.14827	5.7
177.12729	5.5
179.10765	1.7
179.14256	2.6
181.12239	4.8
183.11703	4.7
184.07321	5.0
185.13275	5.5
187.11090	2.0
187.14816	3.1
189.11214	5.1
189.12744	2.5
191.10643	5.2
195.13799	4.8
199.14778	6.0
200.67264	1.5
201.12657	1.5
207.13869	1.5
209.11644	11.7
209.13304	1.6
210.00873	1.3
213.16382	1.8
217.15891	1.6
217.82364	1.5
227.12704	14.5
231.21045	2.7
241.19472	10.8
249.14500	1.4
251.16328	1.9
253.14343	15.2
254.14583	8.9
255.14934	3.7
257.18948	7.5
259.20544	41.4
267.15839	3.1
269.17529	16.2
273.18365	3.2
275.20044	23.7
276.20105	2.0
277.21481	1.8
281.17508	3.2
282.17856	2.1
283.15347	86.3
284.15594	4.1
285.16522	2.3
291.19458	4.3
293.21017	4.1
297.22110	5.0
313.21652	1.8
315.23129	5.2
331.22589	2.4
333.24170	27.7
349.23761	13.5
365.23260	3.6
366.23456	2.3
367.24020	1.9
395.57809	1.4
431.29312	2.6
437.25238	2.7
449.30371	3.7
459.27402	1.8
467.31470	2.7
475.30197	2.7
476.30679	2.8
477.28336	55.9
480.26266	2.1
481.26993	3.1
489.28278	3.2
513.35742	1.8
523.34064	6.2
541.35144	48.2
542.35205	2.0
543.36963	2.2
557.34833	10.1
559.36139	9.4
573.34460	2.1
574.35565	1.5
575.35181	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	772.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01609	1.3
55.01865	10.9
55.05256	1.7
55.05505	24.6
57.03169	1.6
57.03430	14.5
57.07067	2.4
59.04995	2.0
61.02912	3.5
65.03939	3.5
65.74551	1.1
67.05497	67.5
69.03423	9.5
69.07066	22.7
69.07437	1.1
70.80244	1.8
70.80563	1.5
71.04985	8.2
79.05485	49.1
81.03409	59.9
81.07047	72.0
83.04968	23.8
83.08607	25.9
83.39538	1.0
85.02898	22.8
85.06521	7.8
86.09675	1.0
87.04412	1.0
91.05470	77.2
93.07035	47.8
94.07417	1.2
95.04959	35.3
95.08598	26.5
97.01350	0.9
97.02860	5.5
97.06517	9.4
97.10154	8.1
99.04443	3.2
99.08094	3.9
103.05468	1.4
105.07019	60.0
107.04941	14.9
107.07852	1.8
107.08585	40.8
109.06519	10.6
109.10144	50.7
111.04452	3.3
111.08063	9.0
113.06000	3.5
115.05463	3.3
117.07014	8.8
119.04926	1.2
119.08570	27.9
121.06499	11.3
121.10132	14.3
123.08063	6.3
123.11714	11.0
125.09599	4.7
127.07546	3.2
128.06232	2.1
129.06989	15.2
131.08553	23.9
133.06496	5.7
133.10117	79.2
135.08032	7.9
135.11707	6.0
137.06021	1.0
137.09607	4.3
141.07001	1.9
142.07784	3.1
143.08577	5.2
145.06506	1.7
145.10097	9.2
147.08012	9.1
147.11681	18.5
149.09607	12.5
151.11160	31.2
153.12720	1.3
155.08530	1.4
157.10112	17.1
159.08070	2.5
159.11691	2.9
161.09599	6.6
161.13239	2.4
163.11182	4.2
165.09164	1.1
165.12721	3.7
167.08557	1.5
169.10098	1.5
169.12180	5.1
171.11703	2.8
175.11165	17.8
177.09125	3.1
184.07356	3.1
185.09653	1.3
185.13290	2.1
187.11163	1.3
187.14740	1.3
189.12761	2.1
193.12227	40.9
199.11136	1.3
201.12683	1.5
209.11610	1.1
211.13266	69.0
212.13699	1.2
215.12784	4.1
223.13289	4.2
227.12733	1.7
233.15292	1.3
233.64848	0.9
238.77287	1.1
245.18961	5.8
251.12695	2.0
253.14326	100.0
255.17513	2.4
259.45898	1.0
263.20074	3.9
267.15878	24.1
271.15454	3.3
273.18454	26.1
275.19888	1.5
283.15332	3.4
285.16949	58.4
286.17331	2.0
291.19522	36.6
293.20248	1.2
309.20544	3.4
329.21442	1.0
347.22061	8.6
349.23721	1.1
365.23193	40.8
366.23645	1.8
445.25937	3.3
461.25583	1.3
463.26862	22.5
481.27963	29.6
483.30817	1.7
539.33624	7.8
557.26050	1.8
557.34674	33.4
575.35718	71.0
576.35925	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	772.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	14.4
55.05502	38.9
57.03424	24.7
57.07070	3.0
59.04980	3.7
61.02911	3.8
65.03925	4.6
67.05493	89.9
69.03422	9.1
69.07059	32.2
71.01337	1.5
71.04980	11.1
73.02890	2.4
74.40685	1.1
79.05481	75.2
81.02910	2.1
81.03405	59.6
81.07043	100.0
83.01319	5.4
83.04968	28.9
83.08607	31.8
83.09103	1.8
85.02898	22.1
85.06520	9.1
86.09704	1.4
87.04436	1.5
91.05466	79.8
93.07029	79.3
95.04954	34.8
95.08592	36.7
95.09061	0.8
97.02895	8.5
97.06521	15.3
97.10152	9.8
98.20749	2.4
99.04429	6.0
99.08030	2.7
103.05462	2.4
105.07014	72.8
107.04943	21.0
107.08575	53.0
109.02838	2.5
109.06501	16.3
109.10139	37.1
110.22471	1.2
111.04424	5.0
111.08062	10.5
111.74139	1.2
113.05969	3.0
115.05446	5.0
117.06998	21.4
119.04905	1.5
119.08562	41.9
121.06476	12.5
121.10118	23.3
123.08043	11.8
123.11680	9.4
123.71388	1.2
125.00014	1.4
125.09626	6.9
127.07524	3.1
127.55618	1.2
128.06181	3.2
129.05513	1.6
129.06990	15.3
129.69067	1.1
130.07764	1.6
131.08537	23.8
133.06502	6.6
133.10109	63.6
135.08046	11.4
135.11659	15.3
137.05916	1.9
137.09576	4.6
142.07748	3.2
143.08521	6.4
145.06447	1.6
145.10104	23.2
147.08034	9.7
147.11679	16.9
148.47771	1.2
149.09610	15.5
149.13239	7.9
151.11159	22.7
153.12605	1.6
155.08508	3.3
156.51717	1.2
157.10104	14.3
159.08044	3.5
159.11632	7.3
161.09563	7.5
161.13245	1.9
163.11162	19.7
165.12793	1.4
169.10049	2.7
169.12183	2.2
171.11647	4.2
173.09579	3.7
173.13150	2.2
175.11165	11.9
177.09122	2.1
177.12737	3.0
177.66222	1.2
179.10583	2.3
181.12292	2.8
183.11676	2.4
184.07312	2.7
185.13249	1.4
189.11148	2.0
189.12695	1.5
191.10585	1.7
193.12219	29.8
195.13800	3.6
203.14323	1.5
205.12309	1.2
209.11719	3.8
211.13243	41.9
223.13341	4.4
227.12764	7.2
233.15211	1.4
245.18948	5.1
249.14726	1.8
251.12527	1.5
253.14311	39.5
255.15576	6.6
257.19086	2.7
263.20053	3.9
267.15872	18.9
269.17429	18.9
271.15457	3.0
273.18472	23.8
275.20029	10.6
283.15341	43.3
285.16931	34.7
291.19476	33.1
309.20618	2.6
347.22125	9.3
349.23712	8.9
350.95331	1.2
365.23141	28.4
367.24988	2.0
383.24423	1.8
389.23462	1.5
406.29553	1.4
409.34396	1.3
445.26050	1.7
459.27515	1.9
463.26859	24.9
464.26559	1.5
465.29968	2.0
477.28412	67.4
478.28732	2.3
481.27805	15.9
539.33624	5.9
557.34668	35.7
575.35651	54.6
576.35632	2.1
621.32391	1.6
719.38733	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	13.9
55.02267	1.1
55.05504	42.6
55.08587	1.1
55.83149	1.0
57.03177	1.7
57.03433	20.0
57.07065	1.9
59.04987	3.3
61.02911	4.6
61.20697	1.1
65.03914	2.3
66.75834	1.1
67.05496	58.7
67.56887	1.0
69.03423	16.4
69.07062	40.9
69.33759	10.8
71.01326	1.8
71.04983	8.4
73.02911	2.6
79.05487	56.1
81.03410	52.3
81.07047	63.7
83.01318	6.0
83.04977	25.7
83.08128	2.3
83.08611	33.4
85.02901	22.8
85.06531	4.5
87.04442	1.3
91.03958	2.0
91.05470	56.8
93.07032	55.2
95.04959	28.3
95.08595	28.3
96.08871	1.2
97.02876	12.8
97.06532	13.5
97.10160	21.4
99.04451	2.5
99.08081	2.5
105.04491	1.3
105.07020	46.5
107.04941	18.0
107.08582	37.1
109.02909	1.6
109.06513	11.8
109.10146	14.1
111.04441	5.1
111.08080	12.4
113.06016	2.6
115.05434	3.0
117.07001	17.0
119.04919	2.7
119.08566	35.8
120.01219	1.1
120.05793	1.3
121.06499	6.9
121.10126	18.2
123.04394	1.8
123.08035	9.6
123.11691	4.3
125.09623	16.2
127.03865	2.3
129.05486	1.4
129.06989	13.3
130.07780	1.5
131.08553	23.7
133.06519	5.4
133.10121	20.6
135.07988	6.9
135.11659	12.8
137.09572	5.8
141.06985	2.2
142.07770	2.6
143.08549	4.7
145.06474	2.3
145.10100	21.2
147.08031	9.7
147.11678	18.0
149.09602	14.4
149.13240	5.9
151.11200	2.8
153.09018	2.0
153.12759	1.9
155.08551	2.0
157.10100	13.9
159.11649	8.1
161.09586	2.8
161.13290	2.4
163.11156	20.6
165.09079	1.6
165.12776	2.6
169.10101	2.3
171.10217	1.5
171.11630	2.4
173.04382	1.4
173.09583	3.0
173.11787	1.5
173.13245	2.3
175.11176	11.4
177.12740	3.4
179.10696	1.4
179.14310	1.7
181.12271	1.9
183.11742	1.6
189.11226	8.2
189.12621	1.6
191.10681	2.2
193.12219	28.6
195.13783	4.3
205.12312	3.4
209.11711	3.5
211.13268	53.2
211.53238	1.2
212.13655	1.3
219.13890	1.9
223.13245	17.9
227.12758	23.5
227.14896	1.9
231.13731	1.5
233.15311	1.7
239.17787	1.7
245.19115	2.0
249.14873	4.6
255.15897	4.2
257.18991	4.9
267.15897	37.1
269.17484	10.3
273.18430	13.8
275.20053	21.6
283.15369	57.3
284.15955	1.4
285.16937	52.4
286.17120	1.7
291.19507	100.0
292.19772	2.3
293.21057	3.3
313.21701	1.2
331.22568	2.7
345.33582	1.2
347.22183	3.6
349.23703	21.3
365.23199	50.1
405.02014	1.4
413.21436	1.5
437.25204	4.1
439.38858	1.3
445.25824	1.3
453.24634	4.6
459.27271	3.5
461.28888	1.5
463.26825	13.7
477.28409	49.3
478.28976	2.5
493.27890	1.5
495.29471	1.9
539.33594	4.7
557.34680	78.0
558.35065	3.6
575.35712	83.6
576.35681	2.5
706.30035	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.4
55.05503	11.0
55.53635	0.8
57.03432	5.5
61.02916	12.5
62.56106	0.8
65.03924	1.6
67.05494	20.8
69.03414	7.4
69.07051	10.0
70.80041	2.9
71.01343	1.4
71.04972	2.5
73.02905	6.3
78.53042	0.8
79.05479	13.0
79.31492	0.9
81.03416	6.8
81.07047	22.9
83.04967	3.0
83.08603	6.2
85.02892	10.6
85.06525	1.0
86.09683	1.0
87.04417	0.9
91.03963	6.1
91.05466	13.3
93.07040	16.5
95.04945	3.8
95.08591	17.6
97.02867	8.3
97.06506	2.4
97.10141	3.3
99.04440	1.8
101.02361	1.7
103.05465	1.0
105.07011	13.8
107.04977	2.0
107.08583	10.6
109.02867	1.5
109.06489	2.3
109.10149	7.1
111.04427	1.5
111.08057	1.9
113.06005	0.8
115.05410	1.7
116.06258	1.0
117.06986	6.6
119.08566	12.6
121.10110	8.2
123.08093	1.8
123.11676	3.0
124.99955	1.2
125.09585	2.0
127.03913	2.1
128.06165	1.7
129.07027	6.3
131.08546	11.9
133.10126	9.5
135.11656	4.3
135.81641	0.9
137.09613	1.0
141.06976	4.0
142.07747	1.5
143.08528	10.5
145.10098	9.9
147.11655	6.0
149.09662	1.1
149.13234	3.0
151.49603	0.9
153.07007	1.4
154.07729	1.3
155.08554	7.2
157.10098	10.5
159.11673	5.3
161.13216	3.3
163.14731	1.1
167.08568	4.1
169.10133	9.0
171.08043	0.9
171.11655	8.4
173.13245	4.8
175.14799	1.4
179.08611	1.6
181.10107	5.3
182.10861	1.3
183.11685	9.6
184.07310	5.5
185.13184	7.0
187.14796	4.3
193.10127	2.3
193.12207	2.3
195.11650	5.7
197.13223	7.4
199.14783	4.5
207.11755	4.1
209.13341	5.1
211.14865	4.5
213.16394	3.1
219.11618	1.0
221.13216	2.1
223.14810	3.6
225.16327	2.4
227.17955	2.0
235.14627	2.1
237.16400	2.6
239.17981	1.8
241.19398	1.5
243.20998	1.1
251.18053	1.2
261.22070	1.1
265.19601	1.6
267.15768	1.3
277.19424	1.1
285.16595	0.9
285.22177	1.0
321.21854	1.4
335.25638	3.0
351.26904	1.7
365.28543	1.3
393.32013	1.0
435.32532	1.0
447.32153	1.1
449.33774	1.0
453.33676	1.1
473.32877	1.0
493.17365	1.0
499.39233	1.3
501.35611	1.2
513.36121	1.1
517.40601	5.4
525.35205	1.2
527.37195	5.2
535.41223	3.1
539.36847	1.7
545.38446	6.6
591.44220	6.0
607.42816	2.6
609.45026	100.0
610.45300	2.9
612.46954	1.1
651.46320	1.0
655.16174	1.0
717.47382	1.2
735.47864	1.5
753.49298	2.3
771.50513	22.3
772.49188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.2
55.02011	0.8
55.05359	6.2
55.05664	4.6
57.03283	3.3
57.03601	2.3
57.06941	1.3
59.04869	0.7
59.05134	0.5
61.02760	9.3
61.03120	5.6
65.03815	1.0
67.05331	13.2
67.05738	6.8
69.03253	6.1
69.03674	2.7
69.06894	6.6
69.07317	2.9
71.01216	0.9
71.04848	1.2
71.07862	0.8
71.08217	1.0
73.02724	5.4
73.03194	2.3
79.05299	9.6
79.05816	3.1
81.03223	3.5
81.03735	1.1
81.06860	14.7
81.07401	4.7
83.04833	1.0
83.08415	3.8
83.08960	1.1
85.02702	9.3
85.03278	2.6
85.06391	0.8
91.03751	5.8
91.04369	1.2
91.05267	10.6
91.05901	2.4
93.06836	14.3
93.07490	3.0
95.04752	2.1
95.08389	12.8
95.09074	2.9
97.02677	8.8
97.03374	1.8
97.06356	1.2
97.06913	0.6
97.09944	2.3
99.04279	1.2
101.02148	2.2
103.05294	0.9
105.06801	12.1
105.07585	2.3
107.08360	10.2
107.09170	1.8
109.02717	1.0
109.06310	1.5
109.09926	6.2
109.10725	1.0
111.07874	0.7
115.03745	0.6
115.05238	1.0
117.06775	7.3
119.08336	11.8
119.09275	1.7
121.09892	5.8
123.07851	1.0
123.11449	1.6
125.09405	1.5
127.03667	1.9
128.05981	2.4
129.06754	8.2
129.07787	0.7
130.61395	0.5
131.08304	8.9
131.09369	1.2
133.09872	8.3
133.10942	0.7
135.07846	0.9
135.11430	4.2
137.13031	0.7
141.06743	3.8
142.07524	2.1
143.08284	10.3
144.09056	1.0
145.06267	0.7
145.09854	10.5
147.11412	4.2
149.13007	1.9
151.14694	0.6
153.06801	0.9
154.07588	0.8
155.08273	8.8
156.09138	0.7
157.09854	11.0
159.11420	8.2
161.12973	2.0
163.11002	0.7
163.14568	0.7
165.06821	1.1
167.08278	4.3
168.09045	0.9
169.10081	10.6
171.11412	8.7
173.09349	0.6
173.12982	5.0
175.14479	1.6
177.12431	0.5
179.08269	2.4
180.09077	1.2
181.10094	6.2
182.10675	1.2
183.11684	11.2
184.07111	1.2
184.08578	0.5
185.13228	7.4
187.14531	2.8
187.16095	0.8
189.16127	0.8
191.08311	0.5
192.09167	0.7
193.10121	2.5
193.11534	0.8
194.10681	0.8
195.11682	6.7
196.12073	0.5
197.13199	7.8
199.14793	4.6
201.16080	1.6
205.09990	0.6
207.11440	2.1
208.12222	0.6
209.13245	6.6
211.14778	4.9
213.16437	3.8
215.17773	0.9
219.11597	1.0
221.13234	3.0
223.14766	3.9
225.16328	3.7
227.17690	1.7
229.19229	0.6
233.13045	1.1
235.14496	2.0
235.16612	0.5
237.16351	2.8
239.17625	1.5
241.19458	1.1
243.20811	0.7
247.14595	1.1
249.15979	1.5
251.17656	1.8
253.19412	1.1
257.18906	1.1
263.17703	0.6
265.19193	0.8
267.20773	1.0
271.20218	0.8
277.19296	0.7
279.20782	0.7
281.21817	0.5
293.18613	0.6
295.20529	0.5
297.21634	0.8
309.21851	1.2
321.21902	0.8
323.23526	0.7
337.25089	1.6
339.22946	0.7
339.26599	0.9
349.24753	0.7
351.26581	1.4
363.26733	1.1
365.28098	1.3
377.28198	0.9
421.30499	0.6
447.32077	0.9
449.34229	0.9
455.30765	0.6
492.91998	0.6
499.39755	0.6
501.35330	1.2
515.37323	1.3
517.40167	5.2
527.37396	0.8
535.41583	2.7
539.37292	1.6
541.39038	1.6
545.37976	0.8
591.44043	6.9
592.43817	1.0
607.43512	2.4
609.45032	100.0
610.45349	5.3
611.46393	0.7
621.45117	1.3
633.45068	0.8
651.46143	1.2
703.44336	0.5
717.47314	0.8
735.48096	1.2
753.49292	1.8
771.50439	20.8
772.50653	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
57.03435	0.2
65.03930	1.2
67.05493	0.9
69.03419	0.6
69.07054	0.2
71.04973	0.2
71.62621	0.2
77.00574	0.1
79.05473	0.5
81.03411	1.3
81.07050	1.1
83.04987	0.2
83.08588	0.3
85.02892	0.3
85.06541	0.2
91.05468	10.5
93.07046	0.6
94.07385	0.1
95.04955	0.4
95.08582	0.6
97.02870	0.4
97.06530	0.2
97.10155	0.1
105.07011	0.4
107.04949	0.3
107.08554	0.6
109.02850	0.4
109.06497	0.3
109.10114	0.6
111.08078	0.2
119.04925	24.0
119.08569	0.6
120.05240	0.2
121.06495	0.2
121.10132	0.5
123.11723	0.2
125.09634	0.3
127.03909	0.4
129.06992	0.2
131.04872	0.2
131.08537	0.4
133.10124	0.4
135.11633	0.1
137.05952	0.3
137.09601	0.2
143.08522	0.1
145.06401	0.1
145.10098	0.2
147.04390	100.0
147.11691	0.3
148.04718	0.9
149.09578	0.2
149.13310	0.1
151.07426	0.2
153.01805	1.1
159.07964	0.2
161.09608	0.2
161.13271	0.1
163.11237	0.2
165.05479	0.3
165.06931	0.2
167.07031	0.2
175.11131	0.2
177.05467	0.2
184.07330	0.2
187.11121	0.1
193.12163	0.2
207.06432	0.3
211.07410	0.2
211.13281	0.1
213.05434	0.1
229.14302	0.2
231.06506	0.1
246.05287	0.2
255.06601	0.3
267.15884	0.5
273.07443	0.2
274.04672	0.1
285.04184	0.2
285.16794	0.2
285.80508	0.1
287.05511	0.3
291.08554	0.4
302.04086	0.4
309.09457	0.2
315.04764	0.3
317.06525	2.6
435.10739	0.3
437.12299	2.2
455.13382	0.7
459.27219	0.3
460.27936	0.2
477.28558	0.3
478.29047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.1
55.05503	0.3
56.58036	0.1
57.03439	0.1
58.49896	0.1
65.03917	0.9
67.05502	0.5
69.03421	0.5
69.07056	0.2
71.04977	0.3
71.62484	0.1
79.05489	0.4
81.03410	0.6
81.07031	0.4
83.04967	0.2
83.08605	0.2
85.02895	0.4
85.06501	0.1
91.05468	8.1
92.05854	0.1
93.07043	0.5
95.04958	0.3
95.08588	0.5
97.02886	0.3
97.06509	0.2
97.07636	0.1
99.04378	0.1
103.05434	0.2
105.07042	0.3
107.04963	0.2
107.08593	0.3
109.02863	0.2
109.06527	0.1
109.10138	0.3
111.08073	0.1
117.06985	0.1
117.33265	0.1
119.04925	20.9
119.08590	0.3
120.05256	0.2
121.06495	0.2
121.10123	0.2
125.09524	0.1
127.03897	0.2
127.07552	0.1
129.06955	0.1
131.04860	0.1
131.08553	0.1
133.10152	0.2
135.11760	0.1
137.05948	0.2
137.09586	0.2
143.16969	0.1
145.02878	0.2
145.10091	0.1
147.04387	100.0
148.04742	0.9
149.09511	0.1
149.13278	0.1
151.03828	0.1
153.01772	0.4
155.08446	0.1
157.06543	0.1
157.10193	0.1
159.08054	0.1
159.11658	0.1
161.09645	0.1
165.05470	0.2
165.09102	0.3
167.07080	0.1
175.11159	0.1
177.05435	0.5
184.07269	0.1
187.07571	0.1
191.10556	0.1
193.12221	0.1
207.06519	0.3
211.14977	0.1
229.04997	0.1
231.06528	0.3
245.07889	0.1
255.06525	0.2
261.74741	0.1
263.09164	0.1
267.15997	0.1
273.07309	0.1
274.04822	0.1
285.16907	0.1
291.08636	0.4
302.04224	0.2
317.06570	1.4
360.72162	0.1
373.15875	0.1
421.25760	0.2
427.35855	0.1
437.12296	3.4
443.82693	0.1
447.26715	0.1
455.13431	1.2
477.39053	0.1
608.35651	0.1
609.35492	0.2
636.63300	0.1
637.52820	0.1
652.26239	0.1
771.25195	0.1
771.41168	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	12.7
55.05503	24.9
57.03425	12.7
57.07058	1.5
59.04978	1.8
61.02906	1.5
65.03934	3.9
67.05493	78.1
69.03407	4.9
69.07059	30.9
70.25818	1.9
70.26237	4.1
71.04972	5.6
73.06535	1.7
79.05482	87.2
81.03413	15.6
81.07044	78.5
82.07355	1.6
83.04971	20.0
83.08609	13.3
85.02881	4.9
85.06529	5.8
86.09685	2.4
91.04881	2.5
91.05467	78.5
93.07030	98.0
95.04956	26.6
95.08591	41.6
97.02875	4.9
97.06512	18.7
97.10156	9.4
97.76994	1.3
99.04429	1.6
103.05464	1.6
105.04489	1.8
105.07016	60.8
106.07356	1.8
107.04952	15.4
107.08576	43.2
109.02878	2.7
109.06504	10.4
109.10136	16.1
111.04430	1.9
111.08069	4.9
113.05973	1.8
113.09619	2.0
115.05453	2.0
117.07003	20.8
119.08566	37.6
121.06480	6.0
121.10133	16.0
123.08057	9.2
123.11685	4.0
125.09624	6.0
127.03897	4.6
127.07553	2.7
128.06197	2.0
129.05467	1.7
129.06999	20.5
130.07762	1.9
131.08545	17.8
133.06458	1.8
133.10117	29.6
135.08049	4.8
135.11664	16.1
137.09630	3.1
141.06976	2.6
143.08499	8.5
145.06470	2.0
145.10098	22.6
147.08040	3.4
147.11667	41.2
149.09615	11.4
149.13272	6.2
151.11150	6.0
155.08551	1.6
157.10118	5.1
159.11679	11.9
161.09610	5.1
161.13211	14.0
163.11147	16.9
165.09045	1.6
165.12701	1.5
169.10153	3.4
171.10216	2.9
171.11658	27.5
173.04420	2.1
173.13251	3.4
175.11140	2.0
177.12691	3.0
179.14270	3.7
181.12230	1.9
183.11685	1.6
184.07263	2.1
189.11192	2.8
189.12727	9.6
195.13852	2.7
197.13258	2.7
207.13757	28.2
209.11734	1.6
225.14795	2.7
227.12732	16.6
229.19505	2.6
239.17947	2.4
248.63924	1.2
253.14310	15.1
255.15855	6.0
257.18988	7.4
267.15903	2.8
269.17441	13.9
272.21704	1.3
273.18497	2.0
275.20026	30.8
279.15805	1.3
281.17441	76.6
283.15262	9.0
291.19485	4.9
293.21011	2.9
331.22485	1.9
347.22208	2.5
349.23718	24.6
351.18085	1.6
365.23169	4.7
367.24597	3.5
377.22937	2.5
435.27383	3.7
451.26697	4.3
457.29041	1.6
459.30801	2.3
461.29044	23.6
475.30487	100.0
476.30960	2.4
479.26199	5.1
515.33820	2.3
527.37006	1.7
537.35413	4.7
555.36780	54.1
556.36957	2.0
573.35089	10.9
619.34430	2.0
665.30090	1.5
717.43005	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.43
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	10.8
55.05502	17.0
57.03174	0.9
57.03426	9.3
57.07063	1.5
59.04978	2.2
61.02901	2.5
61.27605	0.5
64.56892	0.6
65.03915	2.4
67.05494	42.0
69.03423	4.7
69.07055	13.7
69.51036	2.6
69.51466	2.5
71.01350	0.9
71.04974	5.4
73.02902	1.2
73.06541	1.1
77.03900	0.9
79.05479	34.9
81.03406	11.2
81.07043	50.0
83.01328	5.2
83.04967	14.7
83.08606	10.2
85.02885	5.1
85.06525	5.5
91.03946	1.2
91.05463	42.9
93.07025	42.9
95.01347	0.5
95.04948	12.0
95.08593	19.0
95.28975	0.6
97.02871	3.8
97.06519	8.0
97.10143	2.2
98.20759	1.3
99.04441	3.2
99.08081	1.5
103.05450	1.5
105.04537	0.9
105.07013	37.4
107.04935	10.0
107.08573	33.6
109.02852	0.9
109.06500	11.1
109.10138	40.2
111.04414	2.2
111.08062	3.2
113.05971	1.7
115.05408	1.6
117.06993	10.2
119.08563	13.7
119.78684	0.6
121.06491	6.7
121.10126	9.0
123.04388	1.0
123.08047	7.3
123.11694	6.5
125.05942	1.7
125.09596	2.5
127.03864	0.9
127.07541	1.9
128.06201	1.4
129.07011	4.5
130.07780	1.1
131.08545	10.1
133.06488	3.5
133.10107	51.6
134.10422	0.7
135.08031	6.2
135.11679	10.7
137.06012	0.9
137.09579	2.6
139.07503	1.7
139.11183	1.0
142.07774	0.7
143.08501	4.3
145.06445	1.0
145.10089	14.9
147.08066	3.4
147.11664	7.0
149.09583	5.6
149.13206	1.3
151.09932	1.1
151.11162	21.3
153.12720	2.2
155.08534	1.4
157.10072	2.9
159.08012	1.4
159.11623	2.9
161.09563	6.2
161.13232	1.6
163.07556	0.7
163.11156	15.1
164.59932	0.6
165.12709	0.6
169.10089	1.1
169.12222	4.4
171.10413	0.5
171.11629	3.8
173.09549	2.3
173.13266	1.2
175.11142	2.3
175.14813	0.7
177.09029	1.4
177.12718	0.9
179.10635	1.5
181.09955	0.6
181.12175	2.7
183.11703	1.0
184.07318	1.2
185.13159	1.2
187.11125	0.9
189.11148	0.7
189.12727	2.2
191.10643	1.5
195.13669	0.9
199.11119	0.8
207.13768	2.0
209.11693	4.7
215.12788	2.3
227.12766	2.7
227.17905	1.6
245.18924	1.9
251.12685	2.2
253.14308	100.0
254.14642	2.3
255.17426	1.2
263.20032	2.4
265.14233	0.8
269.17487	2.0
273.18451	18.2
275.20026	2.2
281.17459	5.9
283.15344	57.5
284.15787	1.1
291.19510	18.0
292.19861	1.0
309.20535	2.0
329.21262	0.7
347.22119	7.8
349.23749	1.9
365.23166	25.2
366.23337	1.3
461.29282	3.1
464.82614	0.7
475.30502	14.0
477.24744	2.4
479.26346	40.4
480.26614	1.1
537.31494	0.8
555.33466	7.7
573.34119	63.4
574.34216	3.9
591.35077	1.9
787.52722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.8
55.05504	21.9
57.03426	9.0
57.07029	1.4
57.07298	0.4
59.04963	2.1
61.02883	2.2
65.03896	1.5
67.05495	24.8
69.03421	8.1
69.07059	22.2
69.47501	1.5
69.47921	2.6
71.01326	0.6
71.04990	3.0
73.02895	0.8
73.41743	0.4
77.03888	0.6
79.05480	26.6
81.03407	11.7
81.07045	25.7
82.07351	0.5
83.01328	5.2
83.04972	10.3
83.08606	13.3
85.02895	6.0
85.06481	2.1
91.03928	0.7
91.04891	0.6
91.05466	19.4
93.07031	26.2
95.04954	11.2
95.08585	11.2
97.02875	10.5
97.06515	4.8
97.10155	9.6
98.20644	0.8
99.04403	1.7
103.05437	0.7
105.07014	16.2
107.04290	0.9
107.04939	11.0
107.07864	1.0
107.08576	17.6
108.08851	0.7
109.02813	0.8
109.05890	0.5
109.06502	6.5
109.09442	0.7
109.10136	8.6
111.04425	2.6
111.08050	3.4
115.05441	1.1
117.07001	10.0
119.04877	0.9
119.08568	15.2
121.06491	5.2
121.10124	8.9
123.04363	1.4
123.08054	7.6
123.11606	0.8
125.05952	1.3
125.09615	7.5
127.03883	0.8
128.06180	1.1
129.05472	0.7
129.07004	3.6
130.07733	1.1
131.04948	0.8
131.08549	7.8
133.01790	0.4
133.06479	2.3
133.10118	6.9
134.07210	0.7
135.07239	0.5
135.08055	4.5
135.11670	8.8
137.09581	2.6
139.11160	0.6
141.06973	0.5
142.07668	0.5
143.08571	3.4
145.06490	1.1
145.10112	13.6
147.08025	6.7
147.11661	3.2
149.05887	0.5
149.09561	2.1
149.13206	2.2
151.11101	1.4
153.09012	1.2
153.12672	1.4
155.08499	1.7
157.10060	2.1
159.08035	0.7
159.11729	2.8
161.09615	2.6
161.13206	1.0
162.10295	1.2
163.09831	1.1
163.11153	16.5
163.12508	1.0
165.09146	2.5
169.10011	1.2
169.12233	1.0
171.10320	0.6
171.11662	2.0
173.09610	2.3
173.11760	0.6
173.13164	0.5
175.11142	2.2
177.12683	1.4
179.10704	0.6
181.12184	1.2
185.13213	1.1
189.11214	2.6
189.12627	0.7
191.10641	1.4
193.12209	1.3
195.13667	1.1
205.12206	1.9
209.11690	3.7
211.13304	1.1
223.13254	18.0
227.12715	7.4
245.18938	1.4
249.14873	2.7
253.14217	2.9
261.14771	0.6
263.20007	0.6
265.14249	0.9
267.15939	1.1
273.18472	12.6
274.18835	0.6
275.20102	1.6
283.15356	63.8
284.15674	1.2
285.16891	0.8
286.42599	0.4
291.19498	91.7
292.19907	2.7
299.14841	0.7
309.20581	1.4
347.22092	1.8
349.23697	1.2
365.23175	44.1
366.23666	1.9
406.90140	0.5
453.24677	1.1
475.26907	0.8
479.26190	1.1
493.27924	3.6
541.35309	1.7
555.32745	2.6
573.34137	100.0
574.34485	5.3
589.20233	0.6
591.35059	1.3
607.43530	0.6
608.43713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.2
55.05505	35.6
55.62082	0.5
57.03432	6.7
59.04990	1.3
59.63614	0.6
61.02907	0.9
63.89092	0.6
65.03912	1.4
67.05497	25.5
67.52992	0.5
67.75792	0.5
68.05824	0.7
69.03125	0.6
69.03426	6.7
69.06712	0.8
69.07058	9.1
71.04970	2.2
71.62540	0.7
71.63548	0.6
73.02912	0.9
79.05485	28.2
81.03408	30.3
81.07047	27.2
82.07386	0.8
83.04969	10.7
83.08607	27.6
84.08926	0.5
85.02422	0.7
85.02895	9.6
85.06516	1.7
91.05469	33.3
92.05840	0.8
93.06461	0.9
93.07030	15.9
95.04958	12.3
95.08601	7.4
97.02881	3.0
97.06508	3.0
97.10158	44.8
98.10497	0.7
99.04423	0.9
99.08069	1.3
101.05982	0.6
101.09645	1.2
103.05467	1.1
105.07022	13.0
107.04942	5.9
107.07850	1.0
107.08580	18.9
107.39193	0.6
108.08904	0.8
109.02845	1.0
109.06523	4.4
109.10144	7.9
111.04424	1.4
111.07460	0.6
111.08077	6.1
113.05957	1.4
115.05408	3.3
117.07010	17.2
119.04922	1.2
119.08566	35.5
120.08954	0.8
121.06478	2.9
121.10118	5.0
123.04408	0.5
123.08035	2.2
123.11719	1.2
125.09615	40.1
127.03852	0.7
128.06198	1.2
129.06992	7.4
131.04875	0.7
131.08554	9.6
131.61632	0.5
133.06448	2.5
133.10114	6.9
135.08037	8.3
135.11678	1.0
137.09610	1.9
141.06918	1.0
142.07729	2.3
143.08536	4.5
143.10658	1.3
145.05377	1.1
145.06467	15.4
145.10074	4.3
147.04291	0.7
147.08054	4.5
147.11665	7.6
149.09590	3.8
151.11060	0.6
153.01805	0.9
153.09116	4.1
155.08514	2.1
157.10104	11.9
159.08041	7.4
159.11629	1.6
161.09636	1.6
163.07520	2.2
163.11125	2.0
165.12762	1.6
169.10085	1.9
171.08023	0.8
171.10124	2.3
171.11542	1.0
173.09605	2.1
173.11716	0.9
175.11165	8.3
183.11713	1.1
184.07271	1.0
187.11186	0.8
189.11192	23.2
193.10414	1.2
193.12213	23.2
194.12619	0.7
197.09610	0.6
197.13263	0.9
199.11079	0.7
208.13058	0.5
211.13260	40.3
212.13708	0.6
225.16351	1.6
227.12752	100.0
228.13136	2.2
229.14259	1.3
243.17317	2.7
245.13834	4.1
253.15729	1.6
267.15845	10.1
271.16898	34.6
272.17105	1.1
285.16922	19.4
286.17398	0.7
289.17935	13.7
309.18192	0.6
311.19812	1.0
327.19574	1.0
339.28357	0.6
340.11359	0.7
345.20563	7.9
363.21622	11.6
364.21893	0.8
419.24323	4.9
437.25296	15.3
455.26352	25.8
456.26599	1.2
481.29300	0.7
537.32068	8.6
555.33105	21.9
556.33276	1.7
573.34113	29.6
574.34448	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	3.6
55.05253	1.3
55.05500	17.5
57.03421	3.3
57.07060	0.8
59.04989	0.8
61.02895	0.9
63.52310	0.8
65.03926	1.4
67.05495	30.5
68.35737	0.8
68.51240	0.8
69.03416	5.1
69.07062	19.0
69.25900	0.7
69.58496	7.0
71.04962	2.6
75.05813	0.8
77.23285	0.7
78.04675	0.9
79.05481	33.7
81.03403	7.8
81.07044	25.7
83.04961	7.0
83.08616	7.2
85.02883	1.9
85.06520	1.4
90.09642	0.8
91.05464	30.8
93.07028	30.7
93.07618	1.6
95.01361	0.8
95.04417	1.3
95.04960	12.0
95.08023	1.5
95.08585	15.9
97.02879	5.8
97.06507	3.7
97.10157	7.4
105.07009	23.2
106.07275	0.9
107.04946	5.8
107.08576	12.0
109.02852	0.9
109.06529	4.0
109.10145	5.2
111.08089	1.2
117.06997	8.2
119.04910	1.2
119.08563	14.6
121.06490	2.7
121.10145	4.5
123.08052	3.5
125.09613	4.1
129.06995	7.3
131.08525	6.5
133.06491	1.7
133.10118	6.7
135.08003	3.7
135.11642	2.5
137.09566	1.6
141.07013	1.2
143.08556	5.7
145.10115	7.7
147.08064	4.2
147.11658	14.3
149.09579	1.7
153.09122	0.8
157.10138	1.1
159.11670	3.1
161.09615	3.1
161.13184	4.1
163.11171	1.4
165.09097	1.3
171.11646	9.6
175.11143	1.5
175.33456	0.8
177.12689	1.4
177.89230	0.9
184.07285	1.0
189.11191	2.2
189.12727	2.9
193.12297	0.9
205.12242	0.8
207.13808	10.2
223.13197	8.3
227.12778	4.4
236.22464	1.0
245.18915	0.9
249.14833	2.1
263.16150	1.0
267.15973	1.5
273.18436	11.0
275.20023	1.0
281.17422	38.9
291.19492	61.3
292.19974	1.8
297.16888	0.9
347.22098	2.0
365.23166	26.6
429.62067	0.9
473.29105	4.2
553.35040	2.6
571.36194	100.0
572.36261	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	768.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
55.73113	0.1
56.21786	0.2
57.03424	0.2
57.88534	0.1
58.12959	0.1
59.10242	0.1
67.05465	0.3
69.03390	0.4
70.06561	0.2
71.01277	0.1
71.04967	0.6
71.62476	0.2
73.02921	0.2
78.04686	0.5
79.05467	0.8
81.03403	0.3
81.07016	0.5
83.04942	0.4
85.02884	1.1
87.04448	0.2
91.05451	1.3
92.05763	0.2
93.03375	0.6
93.07018	0.7
93.94404	0.1
95.04955	0.9
95.08568	0.2
97.06482	0.5
99.22905	0.2
103.05437	0.7
105.07004	1.5
106.04163	1.5
107.04943	1.4
107.08559	0.2
109.06501	0.3
109.10111	0.2
110.04353	0.2
111.04392	0.4
115.05392	0.6
119.04912	0.7
121.06478	2.3
121.10101	0.2
122.03613	0.3
123.04403	2.1
123.08108	0.2
123.11699	0.2
124.05195	1.1
125.05968	0.4
127.03885	0.2
129.05421	0.2
129.07013	0.2
131.04880	1.0
133.02852	0.3
133.06480	1.5
134.03610	0.3
135.04428	0.3
135.08012	0.3
136.07542	0.3
137.05954	2.6
139.07516	0.2
140.04517	0.2
143.04924	0.2
145.06477	0.5
147.04391	1.0
147.08008	0.3
148.05099	0.3
149.05963	3.3
151.03897	0.8
151.07520	0.8
152.04646	1.0
153.01849	0.2
153.05444	0.8
153.09042	0.4
160.05148	0.2
161.05956	2.6
163.07509	0.9
165.05582	0.2
165.09012	0.2
166.06268	0.2
167.07002	100.0
168.07335	1.3
173.05963	0.4
175.07466	0.4
177.05470	1.6
177.09065	0.3
179.07031	1.1
181.04965	0.2
181.08563	2.5
187.07512	0.3
189.09006	0.3
191.06932	1.1
193.08577	5.7
199.07474	0.3
199.25677	0.1
203.06999	0.3
205.08566	0.5
209.08044	2.3
211.09612	18.7
212.09999	0.2
215.06944	0.3
216.50740	0.2
217.08557	0.4
219.10043	0.3
221.08118	0.2
223.09549	0.4
233.08028	0.2
235.09595	0.2
265.10641	0.6
291.12228	0.2
324.95819	0.1
345.13190	0.4
357.13055	0.2
554.12280	0.2
759.84613	0.2
762.23120	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
55.05493	0.2
55.24854	0.2
57.97310	0.2
67.05479	0.2
69.03424	0.5
69.07047	0.3
70.06570	0.2
71.04983	0.6
71.62421	0.3
75.04467	0.4
78.04703	0.8
79.05482	0.8
81.03433	0.2
81.07024	0.5
83.04942	0.5
85.02889	1.2
86.09723	0.2
91.05453	1.1
93.03375	0.5
93.07025	1.0
95.04934	0.8
95.08549	0.2
97.06488	0.3
99.04478	0.2
103.05460	1.0
105.07014	1.7
106.04160	1.6
107.04939	1.3
107.08544	0.2
109.02862	0.3
109.06506	0.4
111.04408	0.3
115.05431	0.5
117.06997	0.4
119.04898	0.7
119.08553	0.2
121.02818	0.2
121.06492	2.4
123.04404	2.2
124.05209	1.0
125.05910	0.5
131.04912	1.0
131.08493	0.2
133.02762	0.2
133.06493	1.5
133.10071	0.2
134.03583	0.4
135.04413	0.3
135.07991	0.2
137.05960	2.6
145.02783	0.2
145.06503	0.4
145.10214	0.2
147.04384	0.8
148.05148	0.2
149.05968	3.2
151.03868	0.9
151.07523	1.2
152.04657	1.2
153.01819	0.5
153.05464	1.1
153.09039	0.4
159.04355	0.2
161.05968	2.7
163.07520	0.9
165.05327	0.2
165.12849	0.2
166.06238	0.2
167.07007	100.0
168.07365	1.5
173.05991	0.3
175.07489	0.5
177.05437	1.4
177.09000	0.2
179.07007	1.1
181.08554	2.6
187.07460	0.4
189.09030	0.2
191.06924	1.0
193.08566	6.2
197.07954	0.3
199.09691	0.2
205.08607	0.6
209.08055	2.6
211.09616	22.9
212.10004	0.3
215.06981	0.3
217.08507	0.4
223.09595	0.5
233.08122	0.3
265.10593	0.2
277.10626	0.3
291.12421	0.4
303.12222	0.2
307.11734	0.4
309.65933	0.2
329.13773	0.3
345.13458	0.4
391.17569	0.3
409.18484	0.2
414.05261	0.2
446.27466	0.2
475.19513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.1
55.05515	0.2
55.30814	0.1
57.03441	0.1
65.03947	0.2
67.05490	0.3
69.03413	0.6
69.07037	0.2
69.32363	0.1
69.32763	0.9
69.99903	0.1
71.04977	0.4
78.04696	0.8
79.05486	1.0
81.03404	0.4
81.07043	0.7
83.04963	0.3
85.02887	0.7
91.05464	0.7
93.07024	0.6
95.04942	0.7
95.08599	0.2
96.05745	0.2
97.02853	0.2
97.06508	0.2
99.04458	0.1
103.05461	0.5
105.03415	0.1
105.07010	1.4
106.04171	0.6
107.04929	1.3
107.08573	0.4
109.02874	0.2
109.06544	0.1
109.10143	0.4
111.04433	0.3
111.08060	0.2
112.65096	0.1
115.05413	0.5
117.06989	0.4
119.04892	0.1
119.08555	0.3
121.06474	0.7
121.10125	0.2
122.03654	0.2
123.04407	2.8
123.08076	0.1
123.11668	0.1
124.05193	1.3
125.05983	0.1
129.05531	0.1
129.06956	0.1
131.04900	0.3
131.08568	0.2
133.06477	1.1
133.10188	0.1
134.03603	0.3
135.04385	0.2
135.08047	0.2
137.05939	0.9
140.04628	0.2
141.59225	0.1
143.06090	0.2
145.06438	0.5
147.04350	0.2
147.08012	0.3
147.11684	0.1
149.05937	0.9
150.03067	0.1
151.03867	0.7
151.07539	0.2
152.04669	1.1
153.01714	0.1
153.05475	0.1
153.12733	0.1
157.10153	0.1
159.07957	0.1
161.05968	1.4
163.07492	0.3
163.11104	0.1
165.05534	0.1
165.09071	0.1
166.06242	0.2
167.07013	100.0
168.07353	2.3
173.05949	0.6
175.07533	0.2
177.05444	0.3
178.06143	0.2
179.06952	0.6
181.04910	0.1
181.08559	2.7
181.12119	0.1
187.07535	0.2
190.06331	0.1
191.06931	0.5
193.08580	6.9
194.08910	0.1
195.10245	0.5
203.07027	0.2
205.08562	0.9
207.06352	0.1
207.10097	0.4
209.08081	0.1
211.09622	13.7
212.09958	0.4
217.08589	0.2
219.06378	0.1
219.10141	0.1
223.09579	0.6
228.28720	0.1
233.07918	0.1
235.09677	0.8
239.09097	0.2
247.09610	0.2
253.10658	0.3
255.42143	0.1
265.10718	0.3
303.12241	0.3
321.13196	0.3
327.12448	0.1
385.16629	0.2
403.17282	0.2
434.54449	0.1
437.08481	0.1
590.96741	0.1
747.19427	0.1
765.36670	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	762.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38731	0.2
55.05497	0.4
56.05021	0.5
57.03402	0.3
58.06372	0.2
58.06620	0.4
60.08154	5.9
67.05511	1.0
69.07053	0.4
69.42155	0.2
71.07358	2.5
71.62974	0.4
75.63805	0.2
79.05475	0.6
81.03413	0.8
81.07037	1.2
82.07373	0.3
83.08582	0.3
85.02928	0.2
86.09691	27.3
91.05462	0.8
93.07032	0.5
95.04955	0.2
95.08606	0.7
98.98447	2.2
104.10730	1.8
107.08593	0.5
109.10158	0.3
121.10133	0.3
124.99983	17.3
143.01097	0.4
147.62746	0.2
151.79916	0.2
184.07309	100.0
185.07635	0.9
196.66089	0.2
258.42871	0.2
267.15848	0.5
337.27209	0.5
359.54840	0.2
519.29248	0.2
529.38678	0.4
547.40082	0.3
589.80280	0.2
712.45331	9.4
713.44983	0.7
762.40289	0.3
763.41895	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
56.05024	0.7
57.03415	0.2
58.06347	0.1
58.06617	0.4
60.08154	6.2
65.14804	0.1
67.05493	0.8
69.07047	0.3
69.08138	0.1
69.77142	0.9
71.07359	3.5
71.07743	0.2
75.02715	0.1
79.05473	0.3
81.03412	0.7
81.07042	1.0
83.04996	0.2
83.08614	0.3
86.09691	29.4
87.10044	0.2
91.05463	0.5
93.07039	0.3
95.04945	0.3
95.08601	0.6
97.06505	0.2
97.10204	0.2
98.20719	0.1
98.98448	2.8
104.10727	2.2
105.07001	0.2
107.08547	0.3
109.10130	0.2
119.08552	0.3
121.10118	0.2
124.99984	19.6
131.08498	0.2
133.10028	0.2
143.00975	0.3
145.10089	0.2
147.11668	0.3
166.02641	0.2
177.05316	0.1
184.07310	100.0
185.07668	0.8
267.15927	0.9
294.30420	0.1
337.27246	0.7
520.33679	0.2
529.38910	0.7
547.39496	0.6
712.45374	8.2
713.45496	0.7
738.40326	0.2
762.39447	0.2
763.40521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
55.05503	0.3
56.05028	0.8
58.06621	0.5
60.08154	6.6
67.05489	0.7
69.07050	0.3
69.26873	0.8
69.27296	1.1
70.06583	0.2
71.07363	3.1
79.05466	0.6
81.03420	0.3
81.07046	0.6
82.78831	0.1
83.04947	0.2
85.02907	0.2
86.09693	32.2
87.10030	0.4
91.05469	0.5
93.07038	0.5
95.04934	0.3
95.08629	0.4
97.06600	0.2
98.21478	0.4
98.98448	3.0
104.10732	2.9
105.07032	0.4
107.08572	0.3
109.10140	0.4
111.08067	0.2
117.07010	0.2
119.08585	0.5
121.10121	0.4
124.99987	21.2
129.06950	0.2
135.11761	0.3
137.05963	0.5
143.01057	0.2
147.04411	0.8
147.11641	0.1
159.47154	0.1
166.02715	0.2
184.07314	100.0
185.07611	0.8
235.17010	0.2
255.15800	0.2
290.66083	0.2
349.23663	0.2
360.36508	0.2
467.30405	0.2
479.30286	0.2
556.90118	0.2
578.84656	0.2
662.36475	2.0
726.43201	0.2
744.44531	1.6
762.45367	6.0
763.45856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
55.01850	0.9
55.05501	5.4
55.09115	0.3
56.05013	0.4
57.03428	4.7
57.07048	0.7
60.07875	0.4
60.08154	5.8
61.02899	0.8
61.19563	0.4
65.03929	0.6
67.05493	15.8
68.05807	0.4
69.03408	1.0
69.06719	0.6
69.07059	5.4
70.15668	0.6
70.16062	0.9
71.04966	1.5
71.07364	2.7
73.02888	0.7
77.03874	0.4
79.05485	12.7
81.03407	18.2
81.07044	17.5
82.07391	0.6
83.04976	2.2
83.08604	6.1
84.08885	0.4
85.02876	1.2
85.06553	0.4
86.00121	0.3
86.09692	26.3
91.03938	0.5
91.05465	9.7
92.05762	0.8
93.07029	13.2
95.04349	0.5
95.04951	7.7
95.08591	11.6
96.08890	0.3
97.02869	1.3
97.06550	1.8
97.10165	2.5
98.98449	2.7
99.08110	0.5
104.10748	1.8
105.06362	0.6
105.07014	7.1
107.04971	2.1
107.08574	7.6
109.06491	1.4
109.10136	6.0
111.04442	0.7
111.08050	1.9
113.05949	0.4
117.06992	3.0
119.08567	6.5
120.08871	0.5
121.06490	1.1
121.10117	6.7
123.04446	0.4
123.08032	1.0
123.11692	1.5
123.12807	0.3
124.99988	18.5
125.09603	1.4
129.06982	2.8
131.08543	4.6
132.08893	0.4
133.06448	1.0
133.10104	5.2
135.08008	0.8
135.11673	4.6
135.15086	0.4
137.09583	0.9
137.13214	0.6
139.11130	0.5
141.07010	0.3
142.07625	0.5
143.00981	0.7
143.08528	0.5
145.10104	3.1
147.08011	1.2
147.11661	3.8
149.09604	2.0
149.13260	2.4
151.11174	0.8
157.10098	3.6
159.11652	2.0
161.13261	1.6
163.11172	0.8
163.14790	0.8
165.12708	0.7
169.10074	0.5
171.11600	0.7
173.11803	0.6
173.13231	2.0
175.11165	2.1
175.14824	0.8
177.12694	0.5
184.07310	100.0
185.07695	1.5
185.13307	0.4
187.14809	1.0
189.11174	0.9
189.12714	0.5
193.12198	5.1
199.14865	0.4
201.16434	0.6
207.13730	0.5
211.13139	0.8
227.12706	1.8
229.14328	0.5
231.13803	0.4
235.13313	0.5
243.15808	0.3
243.21060	1.3
249.14888	0.4
259.20743	0.6
261.22110	4.1
267.15875	23.4
268.16116	0.5
269.17480	0.8
270.17688	0.4
273.15207	0.3
277.21350	0.3
277.87558	0.3
279.22903	0.5
285.16907	1.4
287.23373	0.4
301.25165	1.3
317.24576	0.7
333.24072	0.5
335.25760	19.2
336.26102	1.4
359.25323	0.6
404.62268	0.4
435.27173	0.5
435.32544	1.0
453.04645	0.4
453.33435	2.0
471.34430	1.4
509.35785	0.6
527.37262	14.7
528.37463	1.0
545.38318	14.9
545.46741	0.8
546.38019	1.1
563.39099	2.6
569.38708	1.7
632.93970	0.4
635.39288	0.5
671.41681	0.4
710.43695	8.3
718.01727	0.4
760.42664	1.9
761.40100	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.4
55.05498	1.8
56.05009	0.7
57.03419	1.8
57.07068	0.4
58.06594	0.4
59.69739	0.2
59.89798	0.2
60.08150	6.1
67.05168	0.4
67.05493	5.5
69.03400	0.4
69.07059	1.6
69.54252	0.2
71.04967	0.5
71.07358	2.9
79.05478	3.8
80.78436	0.2
81.03402	6.8
81.07035	5.9
83.04942	0.7
83.08598	1.7
85.02859	0.3
86.09686	28.2
91.04945	0.4
91.05461	3.6
93.07022	4.2
95.04944	2.6
95.08589	4.0
97.06506	0.4
97.10133	0.7
98.98444	2.9
104.10727	1.9
105.07007	2.7
107.04929	0.8
107.08571	2.4
109.06488	0.4
109.10139	2.0
111.04459	0.4
111.08058	0.7
117.06990	0.8
119.08547	2.4
121.06493	0.2
121.10125	2.2
123.08026	0.4
123.11680	0.8
124.99980	18.2
125.09589	0.4
129.06970	0.9
131.08524	1.7
133.06407	0.3
133.10074	1.2
135.11641	1.5
142.07690	0.3
143.08528	0.3
145.10124	1.1
147.07980	0.3
147.11670	1.3
149.09581	0.8
149.13187	0.9
157.10098	1.1
159.11667	0.7
161.13231	0.7
163.14781	0.4
165.12701	0.3
166.02525	0.3
173.13217	0.5
175.11156	0.9
183.11804	0.2
184.07300	100.0
185.07646	0.6
187.14735	0.4
189.11130	0.4
193.12192	2.0
195.13747	0.3
199.14725	0.2
227.12717	0.8
243.21017	0.6
251.73857	0.2
259.20654	0.2
261.22046	2.0
267.15857	9.3
269.17191	0.3
285.16959	0.3
291.83398	0.2
301.25140	0.3
312.03482	0.2
314.72253	0.2
317.24551	0.3
335.25732	8.5
336.25946	0.4
435.32513	0.6
447.04321	0.2
453.33545	0.6
471.34366	0.5
527.37177	6.2
545.38202	5.6
563.39117	0.5
569.37897	0.5
710.43732	8.1
711.43542	0.5
761.39594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01864	0.2
55.05499	1.0
56.05030	0.5
57.03431	1.0
57.07044	0.2
58.06612	0.5
60.08157	6.4
60.08472	0.3
67.05497	3.8
68.03323	0.1
69.03426	0.3
69.07064	1.4
70.78687	0.3
71.07360	2.8
77.84545	0.1
79.05482	2.5
81.03408	4.8
81.07043	3.5
83.04977	0.4
83.08613	1.2
85.02889	0.2
85.06577	0.2
86.09693	29.6
87.10026	0.2
91.05460	2.1
93.07034	2.7
95.04962	1.6
95.08583	2.5
97.02868	0.2
97.06525	0.4
97.10159	0.6
98.98446	2.9
104.10737	1.7
105.07016	1.5
107.04932	0.4
107.08574	1.9
109.06480	0.3
109.10128	1.3
111.04460	0.2
111.08051	0.4
117.07008	0.4
119.08558	1.3
121.06467	0.4
121.10127	1.4
123.08039	0.2
123.11674	0.4
124.99986	19.1
125.09644	0.4
129.06976	0.6
131.08527	1.2
133.10062	1.0
135.11609	0.7
137.09595	0.2
137.13188	0.2
143.01022	0.4
143.08592	0.2
144.37828	0.1
145.10132	0.7
147.07967	0.3
147.11717	0.9
149.09547	0.3
149.13239	0.5
157.10136	0.6
159.11676	0.4
161.09552	0.2
161.13225	0.3
163.14775	0.2
173.13245	0.3
175.11154	0.4
175.14819	0.2
184.07312	100.0
185.07663	0.6
186.43575	0.1
187.14766	0.2
189.11160	0.3
193.12233	1.3
225.53676	0.2
227.12662	0.3
243.20998	0.3
261.22076	0.9
267.15881	4.9
335.25751	4.3
435.32391	0.3
453.33414	0.4
471.34433	0.3
527.29913	0.3
527.37244	3.2
545.30524	0.2
545.38312	3.1
563.38489	0.2
569.38129	0.3
606.02490	0.2
710.43774	8.3
711.43890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
53.04159	1.1
55.01866	14.7
55.05258	2.0
55.05503	28.0
57.03145	1.2
57.03429	21.6
57.07063	2.9
59.04980	2.2
60.08152	3.6
61.02912	7.1
65.03925	3.9
67.05493	100.0
68.05823	1.7
69.03416	8.6
69.07058	58.5
69.58965	6.1
69.59393	3.5
69.79990	1.2
71.01338	4.8
71.04984	8.8
71.07369	1.9
73.02909	1.7
74.09732	1.1
77.03909	1.3
79.05479	70.1
81.03414	13.0
81.07045	66.7
82.07355	2.3
83.04968	17.2
83.08605	15.7
84.08911	1.0
85.02892	7.9
85.06517	6.5
85.15410	1.1
86.09690	18.1
91.03943	2.9
91.04884	2.1
91.05462	48.1
93.07028	86.6
95.04958	15.1
95.08591	43.3
97.02892	5.2
97.06516	30.5
97.10150	15.7
98.98474	1.1
99.04433	1.8
99.08080	4.3
104.10693	1.9
105.04508	1.6
105.07008	39.0
106.07332	1.1
107.04937	13.3
107.08578	49.3
108.08897	1.5
109.02830	1.7
109.06490	7.0
109.10133	36.8
111.04428	2.3
111.08047	9.2
117.06987	15.9
118.07275	1.5
119.08566	33.8
120.08878	1.9
121.06503	5.7
121.10117	17.1
123.08051	4.6
123.11691	3.2
124.99983	12.9
125.09637	7.0
127.03909	3.2
129.05475	1.9
129.06985	5.6
130.07753	1.6
131.08549	16.4
133.06424	1.3
133.10115	24.3
135.08031	4.5
135.11674	67.5
136.12019	1.6
137.09589	21.8
141.06970	1.9
143.08543	4.4
145.10101	23.1
147.08034	2.4
147.11655	10.6
149.09604	22.4
149.13239	5.6
151.11195	3.5
153.12756	2.3
155.08502	2.0
155.10570	2.2
157.10107	5.5
159.11685	12.6
160.12111	1.2
161.09607	2.9
161.13214	6.4
163.11176	19.7
169.10062	2.5
171.10236	2.0
171.11681	4.0
173.11703	9.4
173.13242	6.1
175.11188	1.9
177.12738	3.8
179.14279	5.7
181.12199	14.2
183.11642	3.1
184.07306	63.2
185.07695	1.4
185.13264	1.2
187.11093	2.2
189.11197	2.8
189.12749	1.7
191.14262	1.2
193.12233	3.3
193.69890	1.3
195.13713	2.6
197.13263	2.3
199.13269	3.4
201.12717	2.5
203.14226	1.4
207.13937	1.4
211.13130	1.6
213.16357	1.4
219.13673	1.2
223.11172	1.3
223.13287	3.0
223.33476	1.0
227.12729	4.1
227.17838	1.1
229.14250	8.6
229.19469	2.3
239.17899	3.5
243.15750	1.8
247.20451	2.3
253.14323	2.5
255.15851	77.6
256.16119	2.7
257.19025	8.8
259.20514	1.7
269.17471	3.0
270.17831	2.2
273.18509	3.8
275.20023	32.0
276.20477	2.5
285.16940	1.5
291.19455	8.1
293.21085	2.3
349.16907	1.7
349.23651	32.0
350.24103	2.3
351.21591	11.0
365.23184	3.0
395.92725	1.1
409.25766	43.8
410.26215	2.7
423.27350	2.1
433.29440	11.1
445.77542	1.1
449.28760	3.1
451.67157	1.2
465.31186	1.9
469.19861	1.8
477.28162	2.5
501.35522	1.3
511.33759	2.3
528.33417	1.3
529.35211	70.5
530.35376	4.7
533.27588	1.6
545.37146	4.7
547.36041	10.5
563.35266	2.5
580.36700	1.3
726.42462	1.5
760.39203	2.1
761.40765	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	760.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01866	7.4
55.05250	1.1
55.05499	11.4
57.03426	7.8
57.07058	1.7
57.72987	0.6
59.05007	0.9
60.08155	3.2
61.02908	1.8
61.56507	0.6
64.84679	0.6
65.03935	2.1
67.05495	45.6
69.03425	6.1
69.06715	1.2
69.07059	17.2
69.30791	6.0
69.31202	1.0
71.04982	4.7
71.07361	1.5
73.02902	1.7
79.05482	25.0
81.03408	6.9
81.07046	47.2
82.07408	0.7
83.04961	9.0
83.08601	8.2
85.02883	3.6
85.06541	5.7
86.09689	19.2
87.04432	0.8
91.03942	1.3
91.05468	33.7
93.07030	27.6
94.07355	1.0
95.04964	8.3
95.08035	1.0
95.08595	12.3
95.85844	0.7
97.02879	3.1
97.06514	6.7
97.10163	4.1
98.21477	1.4
98.98463	2.0
99.04446	2.8
99.08074	1.7
103.05501	0.9
104.10740	1.8
105.07021	35.7
107.04942	5.2
107.08581	34.0
109.02869	1.2
109.06493	5.6
109.10142	45.0
110.10484	0.9
111.08068	2.5
113.06004	2.5
113.26757	0.6
115.07538	0.8
117.07023	6.5
119.08551	10.7
121.06508	2.0
121.10128	7.4
123.08070	2.2
123.11702	8.3
124.99982	12.1
125.09593	4.5
127.03889	2.5
127.07544	2.7
128.06207	0.8
129.07005	2.0
131.08553	8.6
133.10112	61.0
134.10432	1.7
135.08020	2.5
135.11670	6.1
137.09625	2.3
142.07884	0.7
143.08560	3.1
145.04857	0.9
145.10100	6.9
147.11690	5.0
149.09587	6.0
149.13248	2.9
151.11163	27.8
152.11534	0.7
157.10123	1.8
159.11638	5.8
161.09564	1.8
161.13254	2.4
163.11151	4.0
165.12674	1.0
169.10095	1.2
169.12209	4.6
171.10222	0.7
171.11636	1.6
173.04465	1.3
173.13255	2.9
175.11122	1.6
177.12778	1.5
179.10672	1.4
179.14261	1.7
184.07318	66.0
185.07716	0.9
187.11322	0.8
189.11157	1.6
195.13794	1.5
196.65814	0.6
211.13220	1.7
213.55078	0.7
215.12843	2.6
227.12805	4.2
239.17972	1.0
253.14313	100.0
254.14648	3.7
255.15938	2.4
257.18860	4.4
267.16122	0.7
269.17490	5.7
271.15369	26.3
272.15762	0.9
275.20016	19.3
279.19467	2.2
285.17145	0.7
291.19498	1.0
293.21008	2.1
331.22632	1.1
342.77478	0.7
349.23688	14.4
367.24747	1.1
413.21219	0.9
423.23672	3.5
425.24860	0.9
441.24585	1.3
447.27213	1.5
451.26862	10.2
459.51761	0.7
465.28424	34.3
466.29041	1.2
517.34467	0.7
519.33221	1.4
527.33441	4.5
545.34650	34.8
546.34991	2.8
563.35626	7.3
585.28595	0.8
609.32281	2.0
742.42218	2.3
760.42743	1.8
761.40869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.05502	0.5
56.05024	0.4
57.03442	0.3
58.06343	0.2
58.06614	0.6
59.07386	0.2
60.08154	6.2
67.05495	2.1
69.03413	0.4
69.07043	0.8
71.07362	3.0
71.62748	0.3
79.05482	1.3
81.03413	0.6
81.07035	1.7
83.04978	0.4
83.08611	0.5
85.02908	0.4
86.09694	29.9
87.10032	0.4
91.05470	1.6
93.07030	1.0
95.04935	0.4
95.08598	0.7
97.02873	0.2
97.06499	0.4
97.10143	0.2
98.98448	2.6
104.10734	2.6
105.07014	1.1
107.04917	0.3
107.08563	1.2
109.05727	0.2
109.06488	0.3
109.10135	1.3
117.06998	0.4
119.08572	0.5
121.10133	0.3
123.08019	0.3
123.11696	0.2
124.99989	18.4
125.09628	0.2
131.08543	0.5
133.10110	1.4
135.11652	0.3
143.01039	0.4
145.10098	0.4
146.99249	0.2
147.11662	0.4
149.09590	0.2
149.13333	0.2
151.11166	0.5
157.10080	0.3
159.11693	0.3
161.09695	0.2
163.11166	0.2
169.12335	0.2
181.81882	0.2
184.07312	100.0
185.07697	1.1
221.01550	0.2
227.12799	0.2
253.14273	1.6
255.15912	0.3
269.17447	0.2
271.15335	0.9
275.20047	0.6
291.19336	0.2
349.23465	0.3
451.26831	0.3
465.28378	1.2
545.34491	0.7
558.09338	0.2
563.34869	0.3
581.80481	0.2
609.69385	0.2
674.36414	1.7
726.43359	1.1
742.42682	2.0
760.43628	2.6
761.42255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.0
60.04519	0.7
61.02924	0.8
64.85225	0.5
67.00675	0.5
69.03407	2.0
70.74454	1.3
70.74786	0.7
79.05467	2.5
81.02975	0.7
81.03407	10.1
85.02886	7.8
91.05452	1.9
93.07033	0.5
95.04936	1.0
95.13464	0.5
97.02886	3.6
99.04414	0.7
103.05430	2.2
104.02151	0.5
105.07019	1.1
107.04940	8.6
109.02862	1.4
111.95927	0.7
115.05437	3.9
116.06199	0.6
117.06202	1.0
117.07000	14.9
123.04408	2.3
124.05163	1.5
125.05972	0.6
127.03886	2.1
128.06174	0.7
129.06992	3.0
130.04108	1.2
131.04877	1.3
131.08578	2.6
133.06470	1.5
137.05914	1.7
137.09581	0.6
137.75313	0.6
141.06970	1.6
141.97371	0.6
143.04877	0.9
144.05661	1.6
144.06639	0.6
145.04967	1.8
145.06459	33.6
147.08037	0.9
152.04654	0.8
153.01823	1.4
153.05444	0.7
155.05980	2.6
156.05688	5.2
157.06456	1.8
159.08038	5.6
161.05956	3.6
162.07567	1.3
167.07018	43.0
169.06314	0.6
173.05957	68.5
174.06337	1.8
175.07584	1.5
180.08673	2.9
181.04887	0.8
181.08664	0.5
183.06485	0.7
183.31349	0.5
184.05148	2.0
185.05907	0.6
187.07506	6.0
190.06212	33.5
191.06984	2.8
193.08589	2.1
195.06566	0.8
202.06200	4.8
203.07007	6.3
204.07761	0.6
205.08568	100.0
206.08949	3.0
207.06499	1.8
207.10078	0.8
214.08757	0.6
215.06860	1.1
217.08560	44.6
218.09007	1.7
219.07991	1.5
219.10135	3.7
223.09499	2.5
229.08688	0.8
231.08015	0.8
233.09589	0.8
235.09607	31.7
236.04552	0.6
247.07484	1.0
247.09651	7.2
248.08194	0.9
251.10660	0.6
262.09732	0.8
263.06924	0.6
263.10553	1.0
264.07822	0.7
265.10672	65.7
266.11008	2.2
269.08084	1.1
271.09677	1.4
276.07919	1.0
279.10208	0.9
281.07962	0.6
282.08936	0.7
291.10013	1.6
293.07901	1.3
299.09000	1.2
307.09586	1.5
308.10483	0.9
311.12836	0.7
315.08658	5.2
316.09067	0.7
323.09143	0.6
323.12640	1.8
325.10880	0.6
330.10925	6.2
331.11676	2.8
336.09689	0.7
337.10785	1.1
339.12238	1.3
343.11786	1.8
351.12354	4.0
352.12656	0.8
368.12405	1.0
369.13303	1.5
371.14957	2.8
383.14838	12.2
401.15887	25.5
402.16284	1.0
784.13239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.05267	1.3
55.05503	13.8
57.03428	9.5
57.07058	3.4
58.96200	1.3
61.02907	3.2
63.03754	1.2
65.03924	1.7
67.05499	39.2
69.03399	1.9
69.07056	15.9
71.04970	4.2
71.08601	1.2
71.63573	1.9
79.05482	20.9
81.03407	26.0
81.06570	2.5
81.07047	47.0
83.04969	5.5
83.08607	17.8
85.02895	12.4
85.06516	2.3
86.09669	1.6
91.05464	19.9
93.07022	19.4
95.04955	11.9
95.08594	29.5
97.02858	2.7
97.06504	4.2
97.10162	7.2
97.10682	1.3
99.08076	1.8
100.25188	1.3
105.07012	15.1
107.04941	3.3
107.08585	11.4
109.06490	2.0
109.10125	10.9
109.70823	1.2
111.08043	5.8
117.07002	2.2
119.08546	11.3
121.10141	12.1
123.08041	1.9
123.11661	6.2
125.51565	1.3
127.35130	1.2
129.06960	4.5
131.08562	7.1
133.10109	13.1
135.11655	5.0
137.09590	1.4
145.10063	2.5
147.11674	7.1
149.09647	3.7
149.13217	2.6
151.11208	2.0
157.10074	5.7
161.13242	2.8
165.12732	2.1
175.11171	5.9
182.52115	1.2
184.07301	2.0
193.12206	19.4
208.92557	1.3
211.13266	24.6
261.21823	1.4
267.15817	9.6
277.25067	2.1
285.16922	35.8
286.17804	1.5
301.20081	1.8
335.25595	5.4
351.28873	56.8
352.29208	3.6
503.36935	12.0
529.38562	2.3
538.21301	1.1
543.40527	11.4
561.41437	100.0
562.41864	7.9
586.45172	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98462	0.5
53.03934	2.5
54.18172	0.5
55.01850	1.3
55.05502	14.0
57.03433	6.3
57.07069	3.2
59.05004	0.7
61.02908	2.4
65.03929	2.2
67.05494	69.8
69.03416	2.6
69.06706	1.1
69.07059	13.1
70.68821	1.5
70.69160	0.6
71.04984	20.5
71.08627	0.7
71.54405	0.4
73.02898	1.1
73.06535	0.7
79.05480	34.9
81.03394	1.8
81.07044	95.2
82.07361	0.9
83.04978	3.9
83.08607	7.4
84.03855	0.5
84.38508	0.5
85.02875	3.1
85.06525	8.3
91.03944	1.2
91.05466	28.4
92.05858	0.6
93.07029	40.0
95.04958	3.8
95.08593	29.2
97.02882	1.9
97.06528	4.8
97.10147	2.3
98.20763	0.7
99.04433	0.7
99.08082	1.3
105.07014	15.5
107.08579	23.6
109.06500	2.5
109.10143	14.7
111.08085	1.7
113.09653	0.6
115.09315	0.7
116.14368	0.5
117.06993	5.1
119.08565	9.4
121.10126	17.3
123.08050	1.2
123.11682	13.2
125.09657	0.9
129.07034	0.7
131.08534	8.9
133.10109	19.3
133.37074	0.6
135.07983	0.9
135.11668	11.0
137.09639	0.9
139.11200	0.6
143.08533	1.0
145.10097	4.1
147.11650	4.2
149.13240	6.9
151.11151	5.7
153.12764	0.9
157.10124	0.9
159.11678	5.3
161.13220	3.4
163.14845	1.0
165.12740	0.7
167.17038	0.6
169.12297	1.4
171.11671	1.3
173.13240	3.5
175.14845	1.3
177.12717	1.9
183.13789	2.6
184.07358	2.0
185.13187	0.7
187.13266	4.4
187.14867	1.6
195.13824	1.0
199.14935	0.8
201.14799	0.7
201.16481	0.8
211.13200	0.8
211.34448	0.5
227.16417	1.6
243.15927	0.8
253.17877	0.8
257.17468	2.2
259.20529	1.0
261.22147	2.6
267.15933	0.7
269.17346	5.7
283.18991	0.7
299.23807	0.6
301.20029	18.9
317.24820	0.8
335.25763	27.5
393.31302	0.9
411.32642	1.5
437.33905	1.6
485.36270	3.4
497.30768	0.6
503.37228	91.8
504.37509	6.3
511.37448	0.8
517.39063	3.1
529.38812	17.0
530.39111	1.0
547.39343	1.0
561.41425	100.0
562.41809	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	758.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
53.22003	1.4
55.01865	5.1
55.05255	2.0
55.05505	28.7
57.03431	18.5
57.07063	2.3
60.08139	1.8
61.02917	3.4
65.03944	2.8
67.05494	70.5
69.03419	7.7
69.07054	23.4
71.04992	7.5
71.07334	1.5
71.08616	1.6
72.04493	2.7
73.02908	2.8
73.06568	1.4
77.03893	1.5
79.05482	68.1
81.03407	56.4
81.07047	72.9
83.04971	17.1
83.08608	30.0
85.02895	24.2
85.06526	6.6
85.10143	1.2
86.09695	13.7
91.05468	84.4
92.05769	1.4
93.07030	72.9
95.04962	27.7
95.08593	42.4
97.02872	5.6
97.06522	9.8
97.10156	8.4
98.20773	3.6
98.98444	2.2
99.04491	1.8
99.08089	3.7
102.05547	1.9
105.04495	2.6
105.07016	91.1
106.86620	1.2
107.04930	9.7
107.08582	41.6
109.02919	1.3
109.06500	8.7
109.10136	19.2
111.04376	2.3
111.08069	11.9
113.05975	3.4
115.05412	3.2
117.07018	24.2
119.04920	1.2
119.08566	68.3
120.14307	1.2
121.06467	2.8
121.10120	28.9
123.08054	5.6
123.11694	5.1
124.99992	9.9
125.09588	5.4
128.06226	3.4
129.05496	2.2
129.06985	21.2
130.07753	1.7
131.07578	2.0
131.08556	35.4
133.06465	4.2
133.10115	56.1
135.08054	3.0
135.11676	23.4
137.09593	3.7
137.13295	1.2
141.06912	1.7
141.19336	1.4
142.07780	5.2
143.08530	13.1
145.10107	28.2
147.08014	3.5
147.11665	50.7
149.09592	8.8
149.13235	12.9
151.11180	2.4
155.08548	4.4
157.10104	23.3
159.11676	18.0
161.09608	2.0
161.13245	21.2
163.11160	5.8
163.14780	2.9
165.12759	3.1
169.10056	4.1
171.11674	15.4
173.13231	14.9
175.11166	13.4
175.14793	10.6
177.12679	2.1
181.10095	1.7
183.11617	2.4
184.07324	45.3
185.13277	12.4
187.14818	5.5
189.12782	2.3
189.16345	1.7
193.10416	2.5
193.12216	38.3
195.11707	1.6
195.13792	2.4
197.13251	3.8
199.14774	7.6
201.16415	1.5
203.14192	1.9
209.13281	2.4
211.13252	45.2
213.16487	2.8
217.15816	1.9
227.12807	7.4
229.14337	2.7
231.21049	8.8
241.19475	24.4
243.21291	1.6
247.16922	1.5
253.14316	2.1
255.15923	2.1
257.19049	3.5
259.02957	1.3
259.20544	75.0
260.20853	1.6
261.22107	2.2
267.15851	15.4
269.17474	10.7
275.20001	5.5
277.21588	3.2
283.15396	3.4
285.16928	54.2
289.21530	1.6
297.22168	2.4
299.23737	1.7
301.21658	1.4
313.21606	2.0
315.23157	8.7
325.21603	1.7
331.22836	2.6
333.24185	69.1
334.24631	3.6
335.25827	2.2
349.23648	4.3
415.29874	1.6
423.32443	1.5
433.30862	8.0
435.27386	2.8
439.08075	1.4
439.26785	1.9
446.88202	1.5
449.28888	2.2
451.32019	11.9
459.27133	1.9
459.32925	1.5
463.30710	3.7
467.49521	1.6
469.32959	4.4
507.34644	2.1
515.36932	4.0
525.35730	34.3
543.36774	100.0
544.37012	8.5
561.36493	4.2
596.41321	4.1
758.46814	3.2
759.38739	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01865	10.9
55.05505	24.8
57.03430	19.6
57.07067	3.1
59.04988	1.3
60.98150	0.6
61.02911	7.5
61.09779	0.6
65.03930	2.7
67.05497	60.4
68.75047	0.7
69.03425	4.8
69.07058	16.0
69.35142	5.3
69.35567	1.4
70.04221	0.9
70.14691	0.8
71.01349	1.1
71.04986	3.4
71.08589	0.9
73.02906	5.7
73.06524	0.7
75.17460	0.6
75.98615	0.6
77.03885	0.7
79.05481	44.3
80.06261	1.1
81.02943	0.4
81.03404	13.1
81.07047	53.9
82.03757	0.7
82.04185	3.7
82.63210	0.6
83.04972	11.0
83.08605	12.7
84.02115	0.8
84.05727	1.0
85.02895	7.5
85.06528	2.5
86.09688	1.5
87.04468	1.0
91.03937	1.9
91.04897	1.2
91.05470	30.6
93.07031	45.4
94.07879	0.9
95.04961	17.5
95.08595	36.2
96.05748	0.7
97.02872	5.1
97.06508	6.6
97.10158	13.6
98.07296	5.4
98.20676	1.2
99.04434	1.0
99.08075	1.9
101.06000	1.6
104.06254	1.1
105.04508	0.9
105.07018	19.5
107.04941	3.5
107.08578	26.6
109.06521	4.5
109.10146	17.5
111.04427	1.9
111.08056	5.2
113.05962	1.1
113.09627	1.1
115.05444	1.1
116.04699	15.7
117.05498	0.8
117.06998	8.9
119.08561	17.3
121.06480	2.1
121.09309	1.1
121.10128	17.6
123.08047	5.1
123.11681	4.8
125.00008	0.9
125.08750	1.2
125.09617	14.8
129.05469	33.5
129.06885	4.3
130.07735	0.8
131.08562	12.8
133.06467	1.2
133.10115	13.7
133.40569	0.7
135.08011	3.0
135.11671	13.5
137.09550	3.1
137.13235	1.0
138.45845	0.6
142.07733	0.7
143.07018	7.6
143.08524	1.3
145.10103	9.0
147.08029	1.4
147.11667	11.6
149.09628	3.1
149.13255	6.5
151.11145	1.1
153.09103	1.7
153.12766	0.8
155.08595	1.0
157.08585	15.7
157.10089	6.0
159.11694	5.3
161.09586	0.7
161.13214	3.9
163.11166	3.9
163.14769	2.5
164.11938	0.8
165.12729	2.1
169.10191	0.8
171.10144	6.3
171.11697	2.5
173.09653	0.9
173.11748	1.6
173.13248	3.8
175.11174	3.6
175.14821	1.3
177.16437	0.9
179.14447	0.9
181.10188	0.8
181.12190	1.9
184.07353	5.1
185.11693	2.1
185.13213	1.4
187.13321	1.0
187.14772	3.1
189.11188	8.3
191.10631	0.7
193.12247	8.0
199.13301	4.9
200.13965	3.3
201.14821	0.8
202.34668	0.7
209.11719	1.8
210.12483	1.6
211.13228	6.1
227.12720	10.8
229.14351	2.6
237.14725	0.9
241.19504	1.0
243.21086	2.6
251.20088	0.8
255.15828	0.8
259.20657	2.2
261.22110	8.2
267.15860	5.5
277.21527	4.1
283.15311	3.1
285.16873	2.5
293.21130	0.9
301.16425	100.0
302.16763	1.8
315.23138	1.5
317.24753	1.8
333.24069	1.2
335.25754	65.9
336.26175	1.9
351.25211	1.3
403.38174	0.7
489.35471	1.1
527.37207	5.0
529.37970	0.7
543.36670	3.2
545.37628	1.4
561.37799	46.2
562.37952	2.7
579.38477	0.9
596.44019	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01863	12.0
55.05503	30.8
57.03429	21.6
57.07062	5.6
61.02921	7.4
65.03939	3.0
65.86738	0.7
67.05495	75.0
69.03417	6.0
69.07059	23.0
71.01346	1.1
71.04974	5.7
71.08625	1.0
71.37563	0.7
71.39812	0.8
71.62816	1.0
73.02913	5.1
76.29397	0.9
77.03929	1.5
77.64891	0.8
78.74861	0.7
79.05484	55.2
80.06265	2.2
81.03407	15.9
81.03848	1.4
81.07046	73.5
81.40968	0.8
82.04198	3.9
83.04969	13.0
83.08613	15.5
84.05739	1.0
85.02890	8.9
85.06551	4.0
86.09702	1.2
86.23586	0.7
91.03944	3.0
91.04887	1.9
91.05466	38.2
93.07029	61.4
94.07828	1.3
95.04960	18.7
95.08596	48.7
97.02885	7.5
97.06525	9.8
97.10146	12.7
98.07294	5.8
99.04456	1.2
99.08094	2.5
101.05972	1.1
103.05445	0.9
105.04527	1.3
105.07017	26.0
106.07812	1.5
107.04967	5.0
107.08580	35.7
109.06474	4.1
109.10139	27.6
111.04430	2.8
111.08080	5.0
113.05962	1.2
115.05460	1.4
116.04688	10.8
117.07012	12.0
119.08564	22.1
120.09376	1.3
121.06513	3.1
121.10124	29.1
123.08025	6.0
123.11689	7.3
125.00008	1.2
125.09611	14.9
125.10526	0.8
127.03879	1.3
127.11173	1.8
129.05467	27.9
129.06927	5.0
130.07776	1.3
131.04889	0.8
131.08565	17.4
133.06526	1.3
133.10110	21.5
133.11067	1.4
135.08051	4.0
135.11673	18.3
136.12312	0.7
137.09608	3.3
137.13242	2.6
139.11176	1.1
142.07777	0.9
143.07002	6.1
143.08580	2.7
143.10622	1.0
144.05655	0.7
145.04855	0.8
145.06496	0.7
145.10098	12.9
147.08006	2.0
147.11664	14.0
149.09641	3.5
149.13248	8.6
151.11142	1.9
153.09085	1.7
153.12772	1.1
155.08548	1.9
157.08600	12.6
157.10120	5.6
159.11674	8.9
161.09560	0.8
161.13223	6.3
163.11180	5.2
163.14790	4.2
165.12770	3.5
169.10121	0.8
171.06474	1.4
171.10175	5.2
171.11746	2.1
173.09573	1.3
173.11795	2.0
173.13246	6.1
175.11148	4.6
175.14848	2.4
177.12656	1.0
177.16370	1.0
181.12292	1.9
183.11691	1.0
184.07312	5.6
185.11693	1.8
185.13251	2.0
187.11288	0.9
187.14812	3.1
189.11157	6.8
189.12450	0.8
189.16437	1.1
191.10602	1.4
191.14284	0.8
193.12206	7.1
197.13280	0.8
199.13318	4.7
199.14900	1.4
200.14076	3.1
201.14694	0.9
201.16373	1.1
203.47221	0.8
209.11696	4.3
211.13187	6.8
217.14247	0.8
219.17381	0.9
227.12691	10.3
229.14305	2.5
243.21085	4.7
255.15924	2.7
259.20654	3.0
261.22128	12.6
267.15863	5.2
269.17496	1.0
277.21573	4.2
283.15350	10.0
285.17010	3.2
301.16409	71.1
302.16849	1.7
315.23203	2.4
317.24753	3.1
333.24081	1.4
335.25751	97.6
336.25909	3.6
351.25293	2.2
389.26834	1.0
433.30341	1.0
451.31863	2.1
469.33246	1.0
489.36121	1.3
525.35687	2.4
527.37311	5.9
528.37408	1.2
543.36688	10.3
544.37445	1.4
545.38257	2.5
561.37781	100.0
562.38190	5.6
579.39111	1.0
620.97156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
54.72433	0.7
55.01863	5.8
55.05499	19.9
57.03427	13.3
57.07059	2.4
61.02922	4.3
65.03934	3.1
67.05492	67.0
69.03428	6.2
69.07058	28.0
71.01340	0.8
71.04990	6.0
71.07232	1.7
71.07595	1.1
71.08627	2.2
73.02893	2.4
73.77007	0.7
79.05480	50.6
81.02956	1.2
81.03397	10.4
81.07043	90.6
82.07338	0.9
83.04968	9.7
83.08600	17.6
85.02899	7.3
85.06522	5.4
86.09690	2.6
88.91035	0.7
91.03934	1.1
91.05463	40.4
93.07027	62.7
94.07309	0.9
95.04950	10.4
95.08592	30.4
97.02869	3.0
97.06519	15.3
97.10149	6.2
99.04450	1.8
99.08055	4.4
105.04498	0.8
105.07012	26.8
105.97034	0.8
106.07339	1.0
107.04940	5.7
107.08576	46.3
109.02861	1.1
109.06529	5.4
109.10134	12.1
111.04427	1.6
111.08056	5.8
113.05975	1.2
113.09634	1.1
115.05457	1.3
117.06995	14.4
119.08557	14.7
121.06483	3.8
121.10116	22.0
121.22453	0.9
123.08051	3.7
123.11700	5.0
124.99970	1.2
125.09615	5.4
127.03899	2.9
128.06210	1.3
129.05406	0.8
129.06979	2.9
131.08549	17.0
133.06470	1.4
133.09088	1.5
133.10109	26.9
135.08023	4.0
135.11678	15.9
137.09605	1.7
139.07460	1.0
139.11221	1.1
141.06972	1.7
143.08511	2.6
145.10088	9.4
147.08023	1.0
147.11650	10.3
149.09579	8.0
149.13235	21.8
150.13522	0.8
151.11185	4.8
151.68892	0.8
153.09058	0.8
155.08539	1.4
157.10072	3.8
159.11665	17.6
160.12042	1.0
161.09657	1.3
161.13228	3.4
163.11145	5.6
165.12756	1.6
167.14241	0.8
169.10118	1.7
171.10204	1.2
171.11627	1.8
173.04384	1.4
173.13210	3.1
175.11157	1.4
175.14784	0.8
177.12691	6.4
179.14287	5.7
181.12233	1.0
183.11606	2.0
184.07338	7.6
185.13181	1.4
187.11214	0.9
189.11217	2.2
193.12169	2.6
195.13763	12.1
197.13304	1.4
201.12781	0.9
211.13191	1.9
213.14745	1.5
216.91043	0.9
227.12727	11.6
229.19337	1.2
239.17998	2.7
247.20462	1.7
251.16289	1.7
253.14346	6.1
255.15839	6.3
257.18973	6.5
259.20615	1.2
267.15826	3.7
269.17438	76.1
270.17761	1.8
271.15222	1.0
275.20007	22.4
276.20563	0.9
277.21536	3.4
285.17172	3.7
291.19604	1.1
293.21072	1.7
331.22626	2.8
333.24142	1.3
349.23679	22.1
350.24258	1.2
351.25180	3.5
365.22922	2.3
367.24747	2.4
396.45300	1.0
413.21704	1.9
423.27200	2.5
433.30792	0.8
439.26599	2.1
445.29297	2.3
447.31293	1.8
449.23431	1.4
449.29092	23.5
450.29190	1.3
463.30487	100.0
464.30667	4.6
485.32870	0.9
487.29941	1.1
503.33606	1.8
525.35614	2.2
543.36707	45.6
544.36816	2.4
561.37805	16.6
562.38312	1.4
583.30725	1.3
607.34729	4.9
669.38629	0.9
759.38025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.2
53.77494	1.3
55.01860	7.6
55.05255	2.4
55.05502	31.5
57.03428	21.3
57.07065	2.7
57.38186	1.5
61.02912	2.7
65.03933	3.8
67.05493	66.2
68.19638	1.7
68.84170	1.3
69.03399	5.6
69.07059	24.0
71.04979	7.7
71.08613	1.7
79.05478	61.5
80.90305	1.5
81.03406	54.8
81.07040	73.3
83.04974	14.5
83.08605	29.6
83.39620	1.9
85.02415	1.7
85.02893	22.7
85.06518	5.0
86.09700	14.7
91.05465	75.5
92.94118	1.5
93.07033	67.7
95.04955	26.9
95.08589	34.8
97.02873	4.1
97.06511	11.0
97.10151	13.2
99.04424	2.4
99.08059	3.5
103.05423	2.5
105.07013	74.1
106.07349	1.8
107.04947	10.8
107.08578	41.7
109.02867	1.6
109.06479	7.1
109.10135	14.6
111.04433	1.6
111.08057	9.9
113.05983	2.8
113.09628	1.5
115.05415	2.4
117.06986	19.6
119.08557	54.7
121.06438	4.1
121.10136	26.2
123.08049	4.3
123.11717	2.8
124.99979	7.2
125.09599	10.9
127.07526	1.6
128.06233	2.2
129.06981	21.0
131.08537	27.7
133.06479	2.3
133.09084	2.5
133.10104	46.6
135.08011	4.2
135.11659	15.3
137.09584	2.2
141.06967	2.5
142.07758	2.0
143.08511	7.8
145.10089	20.5
147.08060	4.8
147.11661	45.2
149.09607	11.8
149.13235	14.9
155.08549	4.4
157.10088	19.0
159.11652	20.9
161.13246	22.5
163.11153	6.1
163.14859	2.1
165.12701	3.3
169.10109	3.4
171.11641	11.2
173.13243	10.0
175.11122	13.1
175.14810	12.0
177.12767	3.3
183.11649	5.8
184.07312	35.2
185.13226	9.2
187.14832	2.0
189.11172	5.1
189.12691	1.7
193.12213	37.4
193.67503	1.6
195.11807	2.3
195.13754	2.9
197.13171	2.3
199.14777	4.4
208.00273	1.5
211.13254	47.0
211.15230	2.6
213.16351	2.9
215.17867	1.6
217.15804	1.7
227.12749	16.7
231.21013	4.1
241.19511	20.6
257.19043	2.8
259.20523	50.9
265.14307	2.3
267.15848	19.3
269.17410	20.7
275.20026	10.0
283.15240	3.5
285.16925	59.2
299.23645	1.8
315.23102	6.1
331.22525	2.9
333.20355	3.3
333.24179	49.9
349.23798	10.8
421.25644	2.0
430.14212	1.7
433.30963	8.1
439.26718	5.5
451.31769	6.0
463.30267	3.7
469.32974	2.7
497.09415	1.8
515.36865	4.2
525.28357	2.6
525.35736	30.7
543.36737	100.0
544.36572	5.1
561.37115	5.4
583.30835	1.7
687.40057	1.8
759.39032	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	758.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.3
55.01869	8.8
55.05256	1.6
55.05505	24.7
57.03146	1.2
57.03428	14.9
57.07064	2.6
61.02911	3.9
65.03917	3.1
67.05494	77.9
68.05833	0.9
69.03419	6.0
69.07057	35.2
69.53819	7.8
71.01355	1.2
71.04974	6.4
71.08615	1.4
71.27689	0.8
73.02877	1.2
78.23283	0.9
79.05484	54.5
81.03409	11.3
81.07045	100.0
82.07396	1.8
83.04975	14.0
83.08606	19.4
85.02890	6.3
85.06532	5.9
86.09695	3.0
91.03942	1.4
91.04882	2.0
91.05466	43.7
93.07030	74.3
94.07341	1.4
95.04951	11.9
95.08595	35.6
97.02879	2.8
97.06520	20.5
97.10155	8.3
99.04448	1.1
99.08074	4.5
102.32551	0.9
105.04546	1.7
105.07020	30.1
107.04946	7.2
107.08576	48.5
108.08897	1.0
109.06499	6.1
109.10146	8.7
111.04446	1.3
111.08063	9.4
113.09651	2.1
115.05453	1.6
115.07683	0.8
117.06996	18.3
119.08566	19.6
121.06496	4.5
121.10115	28.5
121.41611	0.9
123.08060	2.8
123.11694	4.0
124.99999	1.9
125.09612	8.3
127.03898	3.6
127.07495	0.9
128.06219	1.3
128.21825	1.0
129.07016	4.2
131.08549	20.6
133.06544	1.0
133.10112	20.7
135.08034	5.5
135.11679	16.0
137.09624	1.6
141.06976	1.2
142.07771	1.0
142.39671	0.8
143.08530	2.9
145.05074	1.0
145.06459	1.4
145.10091	14.2
147.11656	11.1
149.09601	12.4
149.13237	33.4
151.11137	2.2
155.08534	1.5
157.10124	4.2
159.11681	19.4
161.09575	0.8
161.13226	4.1
163.11145	8.2
165.12801	1.3
169.10181	1.4
169.28412	1.1
171.11703	2.7
173.04478	1.6
173.13168	4.1
175.11169	1.3
175.14795	1.3
177.12758	6.5
179.14310	1.9
181.12234	1.6
183.11673	2.6
184.07314	7.9
185.13239	1.2
185.68257	0.8
186.63104	0.9
189.11252	3.4
193.12175	2.6
195.11975	1.3
195.13766	14.4
197.13260	2.4
211.13263	3.6
213.14833	1.7
227.12720	13.4
229.19569	1.0
239.17955	2.0
247.20634	1.6
251.16324	1.5
252.52153	1.0
255.15865	5.0
257.19034	6.6
259.20633	2.4
267.15881	2.8
269.17438	97.0
270.17828	1.8
275.20044	28.7
276.20242	1.5
285.17096	4.2
293.20923	1.8
313.21625	1.0
331.22552	2.1
333.24207	3.9
339.18039	1.0
349.23685	25.1
365.23251	2.5
367.24902	1.3
423.27493	4.2
439.26974	4.7
445.29160	1.0
447.31027	2.6
449.28928	22.5
450.29410	1.2
463.30499	82.6
464.30530	5.0
469.32864	1.0
503.33530	2.8
515.36957	1.0
525.35309	4.3
543.36731	59.0
544.36884	3.4
561.37762	12.4
607.34448	3.0
663.41199	1.0
705.40723	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
55.05508	1.1
57.03421	0.5
65.03918	0.9
67.05491	1.3
69.03416	1.0
69.07063	0.5
70.34000	0.1
70.82081	0.3
70.82408	0.1
71.04981	0.4
74.60817	0.1
79.05482	1.8
80.05806	0.2
81.03406	4.4
81.07046	1.9
82.03757	0.3
83.04951	0.4
83.08602	1.6
85.02890	0.3
85.06489	0.1
91.05467	11.1
92.05804	0.3
93.07030	1.3
93.52936	0.1
95.04946	1.7
95.08596	1.0
96.05303	0.1
96.08928	0.2
96.36522	0.1
97.02895	0.3
97.06492	0.3
97.10151	1.1
97.29765	0.1
102.68150	0.1
105.07012	1.4
106.07382	0.2
107.04955	1.1
107.08581	1.2
108.05264	0.1
108.08891	0.1
109.02889	0.3
109.06513	0.9
109.10132	0.6
111.04401	0.2
111.08073	0.3
117.07001	0.5
118.06618	0.1
119.04926	23.6
119.08557	1.0
120.05214	0.3
121.02847	0.4
121.06484	1.0
121.10113	0.6
122.10458	0.1
123.04439	0.3
123.08030	0.3
123.11681	0.1
125.09595	0.9
127.03936	0.2
128.06157	0.1
129.07011	0.6
131.04898	0.3
131.08537	0.8
133.06487	0.5
133.10118	0.5
135.08051	0.4
135.11653	0.2
137.02231	0.2
137.05916	0.2
141.06926	0.2
142.79312	0.1
145.06467	0.4
145.10106	0.4
147.04387	100.0
147.11671	0.7
148.04721	2.1
148.05788	0.2
149.05991	0.2
149.09598	0.5
151.07500	0.1
153.01807	0.3
153.09071	0.3
155.08539	0.2
157.06425	0.2
157.10104	0.5
158.10423	0.1
159.08009	0.2
159.11678	0.2
161.05992	0.2
161.09573	0.2
163.03902	0.4
163.11197	0.3
165.01767	0.1
165.05489	0.3
165.12724	0.1
167.07047	0.2
169.06398	0.1
169.10173	0.2
171.08124	0.2
171.11682	0.2
175.11180	0.4
176.11481	0.1
177.12755	0.2
181.04971	0.2
181.10074	0.1
183.07994	0.2
185.05959	0.2
187.07405	0.2
187.11153	0.2
189.11169	0.4
189.12711	0.2
193.12193	1.5
195.11655	0.1
205.12210	0.1
207.06415	0.2
211.07463	0.2
211.13162	0.2
215.14421	0.1
217.12219	0.2
219.13799	0.2
227.12573	0.1
229.05063	0.2
231.06465	0.2
231.13737	0.2
233.15372	0.3
235.13153	0.2
249.14954	0.2
255.06317	0.2
259.13293	0.2
267.15906	2.8
268.16211	0.6
273.07608	0.2
273.14728	0.5
274.14926	0.1
287.05530	0.2
291.08643	0.4
293.17487	0.2
303.04959	2.7
327.04941	0.2
349.21777	0.3
357.24585	0.1
367.22592	0.7
368.22699	0.3
375.28040	0.1
385.23605	1.4
386.24017	0.6
403.24527	0.4
404.25092	0.2
437.12054	1.6
441.26358	0.7
442.26587	0.3
455.13339	0.7
459.27328	5.3
460.27676	3.4
477.28418	4.7
478.28735	3.4
491.30099	0.8
492.30408	0.7
509.30875	0.4
510.30859	0.2
692.81720	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	757.1749
Annotation	quercetin 3-O-(3',6"-O-di-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
55.01866	0.3
55.05508	1.1
57.03421	0.5
65.03918	0.9
67.05491	1.3
69.03416	1.0
69.07063	0.5
70.34000	0.1
70.82081	0.3
70.82408	0.1
71.04981	0.4
74.60817	0.1
79.05482	1.8
80.05806	0.2
81.03406	4.4
81.07046	1.9
82.03757	0.3
83.04951	0.4
83.08602	1.6
85.02890	0.3
85.06489	0.1
91.05467	11.1
92.05804	0.3
93.07030	1.3
93.52936	0.1
95.04946	1.7
95.08596	1.0
96.05303	0.1
96.08928	0.2
96.36522	0.1
97.02895	0.3
97.06492	0.3
97.10151	1.1
97.29765	0.1
102.68150	0.1
105.07012	1.4
106.07382	0.2
107.04955	1.1
107.08581	1.2
108.05264	0.1
108.08891	0.1
109.02889	0.3
109.06513	0.9
109.10132	0.6
111.04401	0.2
111.08073	0.3
117.07001	0.5
118.06618	0.1
119.04926	23.6
119.08557	1.0
120.05214	0.3
121.02847	0.4
121.06484	1.0
121.10113	0.6
122.10458	0.1
123.04439	0.3
123.08030	0.3
123.11681	0.1
125.09595	0.9
127.03936	0.2
128.06157	0.1
129.07011	0.6
131.04898	0.3
131.08537	0.8
133.06487	0.5
133.10118	0.5
135.08051	0.4
135.11653	0.2
137.02231	0.2
137.05916	0.2
141.06926	0.2
142.79312	0.1
145.06467	0.4
145.10106	0.4
147.04387	100.0
147.11671	0.7
148.04721	2.1
148.05788	0.2
149.05991	0.2
149.09598	0.5
151.07500	0.1
153.01807	0.3
153.09071	0.3
155.08539	0.2
157.06425	0.2
157.10104	0.5
158.10423	0.1
159.08009	0.2
159.11678	0.2
161.05992	0.2
161.09573	0.2
163.03902	0.4
163.11197	0.3
165.01767	0.1
165.05489	0.3
165.12724	0.1
167.07047	0.2
169.06398	0.1
169.10173	0.2
171.08124	0.2
171.11682	0.2
175.11180	0.4
176.11481	0.1
177.12755	0.2
181.04971	0.2
181.10074	0.1
183.07994	0.2
185.05959	0.2
187.07405	0.2
187.11153	0.2
189.11169	0.4
189.12711	0.2
193.12193	1.5
195.11655	0.1
205.12210	0.1
207.06415	0.2
211.07463	0.2
211.13162	0.2
215.14421	0.1
217.12219	0.2
219.13799	0.2
227.12573	0.1
229.05063	0.2
231.06465	0.2
231.13737	0.2
233.15372	0.3
235.13153	0.2
249.14954	0.2
255.06317	0.2
259.13293	0.2
267.15906	2.8
268.16211	0.6
273.07608	0.2
273.14728	0.5
274.14926	0.1
287.05530	0.2
291.08643	0.4
293.17487	0.2
303.04959	2.7
327.04941	0.2
349.21777	0.3
357.24585	0.1
367.22592	0.7
368.22699	0.3
375.28040	0.1
385.23605	1.4
386.24017	0.6
403.24527	0.4
404.25092	0.2
437.12054	1.6
441.26358	0.7
442.26587	0.3
455.13339	0.7
459.27328	5.3
460.27676	3.4
477.28418	4.7
478.28735	3.4
491.30099	0.8
492.30408	0.7
509.30875	0.4
510.30859	0.2
692.81720	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	757.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.1
55.05518	0.1
57.03427	0.1
63.02349	0.1
63.72937	0.0
65.03921	1.0
67.05502	0.3
69.03422	0.5
69.07061	0.1
71.01387	0.0
71.04976	0.1
71.62420	0.1
77.44189	0.1
79.05479	0.3
81.03407	0.6
81.07051	0.3
83.04961	0.1
83.08599	0.1
85.02887	0.1
85.06537	0.1
89.03883	0.1
91.05464	8.8
92.05790	0.1
93.07027	0.4
95.04955	0.2
95.08575	0.2
97.02872	0.1
97.06515	0.1
97.10135	0.1
99.04438	0.1
105.07021	0.3
107.04936	0.2
107.08556	0.2
109.02878	0.2
109.06545	0.1
109.10130	0.3
109.25661	0.1
111.04430	0.1
111.08065	0.1
115.05398	0.1
117.06977	0.1
119.04920	22.6
119.08559	0.2
120.05231	0.5
121.02821	0.2
121.06537	0.1
121.10117	0.2
123.04454	0.1
123.08090	0.1
125.09592	0.1
127.03916	0.3
129.06981	0.1
131.04877	0.1
131.08542	0.1
133.06462	0.1
133.10112	0.2
135.04428	0.1
135.11713	0.1
137.02272	0.1
137.05930	0.2
141.06944	0.1
141.99478	0.0
145.02837	0.1
145.06380	0.1
145.08591	0.1
145.10097	0.2
147.04381	100.0
148.04709	1.9
149.05928	0.1
149.09579	0.1
151.03949	0.1
151.07545	0.1
153.01772	0.3
157.06476	0.1
157.10071	0.1
159.08002	0.1
161.05997	0.1
163.03896	0.6
163.07576	0.1
163.11145	0.1
165.01811	0.1
165.05444	0.2
165.06781	0.1
167.07072	0.3
175.11079	0.1
181.04915	0.2
185.05940	0.1
187.07532	0.1
191.06873	0.1
191.10631	0.1
193.12247	0.1
207.06473	0.4
209.08118	0.1
209.11688	0.1
211.13211	0.1
227.06860	0.1
229.04980	0.2
231.06479	0.2
255.06506	0.2
265.08426	0.1
267.15872	0.1
268.65866	0.1
273.07547	0.1
287.05399	0.1
291.08524	0.4
303.04941	1.9
304.05402	0.1
309.09756	0.1
321.11182	0.1
339.12289	0.1
340.12454	0.1
385.12839	0.1
403.25314	0.1
421.09015	0.2
437.12262	3.1
438.12561	0.1
449.08636	0.2
455.13385	1.1
459.26898	0.1
470.87732	0.0
633.51697	0.0
751.81604	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	756.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01871	3.1
55.05259	1.0
55.05506	15.8
57.03434	6.0
57.07063	1.3
59.04993	1.0
61.02911	1.9
65.03926	1.9
67.05496	37.9
67.11744	0.6
68.05832	0.7
69.03418	5.3
69.07059	20.7
70.78472	1.6
71.04982	3.3
73.02904	0.8
79.05485	25.7
80.05798	0.7
81.03414	4.9
81.07047	46.4
82.07384	0.8
83.04976	5.1
83.08607	10.6
85.02892	3.0
85.06528	2.6
86.09684	2.1
91.05467	22.8
92.05769	0.6
93.07030	30.9
95.01292	0.6
95.04966	6.2
95.08594	14.9
97.02870	5.7
97.06516	6.5
97.10162	7.3
99.08084	1.4
103.05458	0.8
105.03378	0.5
105.04510	0.6
105.07017	15.9
107.04948	4.7
107.08582	21.3
109.02884	0.8
109.06497	3.6
109.10139	12.5
111.04448	0.8
111.08067	3.9
113.05972	0.9
114.14920	0.5
115.05430	0.8
117.06994	8.5
119.04909	1.1
119.08566	9.3
121.06489	3.3
121.10120	9.2
123.04424	0.7
123.08016	2.4
123.11684	3.8
124.99983	1.7
125.09607	5.4
128.06190	0.5
129.07005	2.3
131.08554	10.0
131.09505	0.8
133.06470	2.4
133.10114	18.3
134.10411	0.5
135.08029	4.0
135.11685	7.0
136.64015	0.5
137.09642	1.5
141.06978	0.7
143.08582	2.1
145.10085	4.0
147.08023	4.1
147.11702	2.9
149.09612	2.0
149.13229	9.4
151.11154	5.5
153.09036	0.7
157.10060	2.6
159.08044	0.8
159.11661	6.8
161.09613	2.3
161.13214	1.2
163.11166	1.8
169.10121	0.5
169.12219	1.5
171.11650	1.3
173.09685	0.6
173.11748	0.7
175.11192	1.5
177.12761	3.7
184.07321	8.1
185.09599	0.7
185.13268	0.7
189.11217	2.2
189.12755	0.5
193.12256	1.0
195.13757	5.1
205.12331	1.1
213.14764	0.5
223.13251	7.5
227.12770	3.8
231.13605	0.6
233.15302	0.7
245.19008	1.9
247.16890	0.5
249.14796	2.0
251.16441	1.1
253.14313	15.2
253.16791	1.0
255.17555	0.8
263.19974	1.1
267.15970	1.8
269.17441	47.7
270.17831	1.6
273.18451	12.4
273.21185	0.9
274.18817	0.8
275.20139	1.2
283.15210	0.7
285.16931	1.3
291.19504	50.0
292.19928	2.1
309.20676	1.7
333.24753	0.5
335.25876	0.6
338.01767	0.5
347.22150	4.9
349.23700	1.2
358.86011	0.5
365.23184	30.1
366.23547	1.6
439.26993	0.8
461.28918	1.6
463.26407	1.0
465.28479	5.5
477.28711	0.8
479.30142	2.0
541.35217	6.9
542.35718	0.6
559.36237	100.0
560.36591	8.9
577.37512	1.5
703.39862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
55.01862	11.7
55.05502	17.5
55.53861	0.7
57.03431	10.2
57.07059	0.9
59.04979	0.9
61.02899	1.3
65.03929	2.2
67.05494	37.0
69.03435	3.7
69.07059	26.9
69.50842	5.5
71.04964	4.2
77.03938	0.7
79.05480	36.8
81.03406	45.6
81.07043	54.4
82.07316	0.9
83.04967	13.8
83.08607	19.2
83.09106	1.2
85.02891	19.4
85.06522	3.1
86.09689	1.0
87.04442	1.1
91.05467	61.1
92.05784	0.9
93.07030	33.2
95.01308	7.6
95.04959	21.3
95.08591	28.1
95.09525	0.7
96.08949	0.6
97.02890	3.4
97.06520	25.4
97.10135	3.5
97.43879	0.6
99.08085	1.7
103.05414	1.0
105.07014	69.9
106.07346	1.1
107.04934	15.6
107.08581	16.5
108.05317	0.8
109.06501	5.6
109.10132	6.9
111.04432	2.7
111.08067	6.4
112.08456	0.6
113.06004	2.6
113.09593	0.9
115.05447	1.4
117.06998	10.6
119.08562	45.0
121.06506	4.6
121.10123	10.2
123.04417	1.6
123.08044	5.3
123.11709	2.4
125.09598	2.2
128.06133	1.0
129.05414	0.7
129.06975	9.0
131.08548	22.5
133.06474	2.5
133.10109	42.8
134.10448	1.0
135.08087	3.1
135.11678	6.6
137.09602	3.2
139.07553	1.5
140.99782	0.8
141.06987	1.5
142.07777	1.2
143.08546	3.2
145.06490	2.6
145.10097	16.7
147.08040	2.2
147.11668	21.2
149.09619	10.0
149.13205	3.1
151.11215	1.6
155.08583	1.0
157.10098	13.0
159.08081	0.9
159.11668	8.6
161.09668	0.8
161.13210	4.5
163.11223	5.2
165.09090	1.6
165.12738	2.8
169.10136	1.6
171.11659	2.4
173.13246	3.1
175.11174	10.5
175.14702	0.7
177.12743	3.0
179.14287	11.3
183.11655	2.0
184.07274	1.5
185.13264	0.9
186.39009	0.6
187.11203	2.1
187.14751	1.0
189.12714	0.7
193.12216	23.0
195.13805	0.8
197.13255	2.0
201.12750	0.9
211.13251	22.6
211.15216	1.2
212.13596	0.9
215.14342	0.8
227.12749	1.1
239.17993	1.3
247.20642	1.6
249.14436	0.7
257.18964	4.3
259.20575	0.8
267.15863	30.8
268.16324	2.0
269.17426	1.3
275.20020	59.4
276.20352	3.3
279.16013	2.3
283.15408	0.8
285.16922	61.3
286.17300	3.1
293.21005	3.4
349.23679	34.5
350.24081	2.2
429.21503	0.6
461.29260	1.4
541.35168	64.9
542.35590	6.1
559.36212	100.0
560.36652	10.0
577.37225	2.2
703.40472	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01867	10.4
55.05502	17.0
57.03431	7.0
57.07078	0.5
59.04978	0.9
60.18154	0.5
61.02906	1.0
65.03939	1.6
67.05495	33.1
68.69788	0.5
69.03419	2.8
69.07059	22.1
69.37669	1.1
69.38073	4.4
71.04991	3.0
73.02877	0.5
79.05480	28.3
80.05812	0.7
81.02911	1.1
81.03406	27.3
81.07045	45.0
82.07339	0.6
83.04969	10.5
83.08608	12.3
85.02889	11.1
85.06536	2.1
86.09725	0.7
91.05468	51.5
92.05814	0.8
93.07034	28.7
95.01313	6.6
95.04951	15.4
95.08592	23.0
97.02876	2.2
97.06520	19.5
97.10167	3.2
99.04464	0.6
99.08055	1.2
101.06090	0.6
103.05453	1.5
105.07014	62.9
106.07338	1.1
107.04943	14.3
107.08578	15.7
109.02888	0.8
109.06495	5.2
109.10138	5.5
111.04411	1.5
111.08063	5.5
112.08376	0.5
113.05973	1.1
113.09633	0.8
115.05429	0.9
117.06995	10.1
119.08564	36.8
120.08932	0.8
121.06505	3.5
121.10124	10.0
123.04420	1.5
123.08054	3.3
123.11692	2.0
125.09621	2.4
127.03938	0.6
127.07472	0.6
128.06146	0.6
129.06987	7.0
130.07765	0.6
131.08549	19.0
133.06491	2.3
133.10112	35.8
135.08031	3.8
135.11656	4.1
137.09581	3.1
137.13197	0.5
139.07549	1.2
139.11176	0.6
141.06984	1.9
142.07764	1.8
143.08575	3.1
145.06465	1.3
145.10104	13.6
147.04385	0.6
147.08049	1.4
147.11667	16.2
149.09602	7.0
149.13245	2.5
151.11177	1.3
155.08554	1.8
157.10104	8.1
159.08154	0.8
159.11678	9.2
161.13229	3.2
163.11157	3.4
165.09073	1.4
165.12749	1.3
169.10091	1.5
171.11684	2.3
173.13280	2.9
175.11159	5.1
175.14871	0.8
177.12726	2.7
179.14276	10.6
183.11676	1.1
184.07373	1.4
185.13132	0.9
187.11182	1.4
187.14709	0.6
193.12227	11.4
197.13257	1.2
201.12759	0.8
205.12193	0.8
211.13254	13.4
215.10054	0.6
219.17337	4.1
227.12773	0.9
229.19463	1.1
232.84183	0.5
233.15262	0.6
239.17966	1.8
247.20587	1.3
249.14980	0.6
257.18976	4.0
263.20322	0.6
267.15869	15.4
267.18518	1.1
269.17313	1.3
275.20023	56.8
276.20447	1.8
279.15860	2.8
283.15378	0.6
285.16928	24.9
286.17328	1.0
293.21124	3.5
300.04816	0.6
349.23682	33.1
350.24048	1.1
447.27631	0.6
461.28989	0.9
541.35175	52.5
542.35345	2.5
559.36230	100.0
560.36554	6.7
577.37299	1.5
703.40051	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	1.7
55.01799	2.7
55.05438	11.0
55.05741	1.3
57.03365	7.4
57.03666	0.8
58.42537	0.5
59.04938	0.8
65.03863	0.9
67.05422	15.4
67.05816	1.5
69.03410	3.0
69.06987	4.0
70.57440	1.2
70.57845	1.1
71.04910	2.6
79.05482	16.2
79.05895	1.1
81.03405	40.3
81.03839	2.6
81.07045	15.0
81.67378	0.6
83.04956	4.4
83.08604	13.4
83.09056	0.8
85.02865	0.9
85.06476	1.2
87.04950	0.5
87.24807	0.6
91.05466	15.1
93.07034	12.4
95.04957	17.8
95.08597	7.9
97.02824	1.1
97.06431	2.1
97.10159	14.3
99.07995	0.8
105.07017	10.7
107.04948	11.9
107.08579	8.2
109.06506	8.3
109.10136	4.3
111.04364	1.3
111.08066	5.0
113.05868	0.9
115.05367	0.9
117.06237	0.5
117.07001	4.7
119.04926	6.3
119.08566	9.4
121.06500	9.6
121.10137	6.6
123.04384	1.3
123.08043	4.1
123.11596	1.2
125.05896	1.7
125.09611	13.5
128.06136	0.7
129.06984	6.4
131.04774	2.3
131.08553	9.1
133.06487	4.1
133.10139	4.8
135.08025	5.4
135.11557	2.3
137.05911	1.3
137.09509	1.8
139.11084	1.4
141.06935	1.1
142.07701	1.4
143.08427	1.9
145.05540	0.6
145.06450	5.9
145.10080	3.7
147.04384	21.1
147.08043	4.9
147.11693	5.8
149.05904	0.8
149.09593	4.5
153.09088	3.3
153.12672	1.2
155.08423	1.9
157.06404	1.3
157.10115	6.3
159.07957	1.6
159.11572	2.1
161.05855	1.0
161.09502	1.3
163.11189	4.3
165.12621	1.1
167.08420	0.7
167.10561	1.3
169.10027	2.3
171.07922	1.5
171.10112	1.2
171.11581	1.5
173.09537	1.9
173.13159	1.2
175.11139	6.8
177.12640	1.2
181.09901	0.8
183.11560	0.8
185.09605	1.6
185.13072	1.2
187.07478	0.7
187.11092	1.5
187.14699	1.0
189.11090	7.8
189.12668	1.7
191.14221	0.9
193.12213	17.1
195.08008	0.8
195.11636	1.5
197.09505	0.7
197.13132	1.4
199.11078	1.6
199.13118	1.2
203.10706	1.0
205.12099	1.8
205.15829	0.7
209.13197	0.9
211.11232	0.7
211.13089	1.3
213.12628	1.5
215.14211	2.9
217.12073	1.0
219.13643	2.6
223.11081	0.7
223.13069	1.5
225.12692	1.1
227.12622	2.5
227.14557	1.1
231.13643	1.3
233.15401	3.6
235.13092	1.1
237.12614	1.5
237.14807	0.8
239.14217	0.7
241.12096	0.9
241.14348	0.7
243.13698	0.9
245.15392	1.1
249.14740	1.3
255.13696	2.9
257.15289	0.9
259.13174	1.3
267.15872	39.3
268.16058	0.9
273.14752	7.3
275.16321	1.2
293.17429	1.0
303.05130	0.9
321.21887	0.9
339.23053	2.9
349.21597	6.0
357.24185	1.8
367.22656	13.5
385.23700	21.6
403.24725	6.5
423.24954	0.8
441.26352	9.6
459.27344	100.0
460.27826	3.8
477.28418	94.4
478.28680	2.8
491.23325	1.0
491.29977	12.7
501.28192	1.7
509.31104	7.0
541.33801	1.5
543.29486	1.0
567.29169	2.4
691.09406	0.8
708.44220	0.7
727.52295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.9
55.01869	29.8
55.05507	39.9
57.03431	23.0
57.07058	9.8
58.47695	1.5
59.05005	3.1
61.02909	10.3
65.03931	4.8
67.05499	89.6
69.03417	25.9
69.07060	43.3
70.24439	8.0
71.01344	3.8
71.04981	12.8
73.02909	8.0
77.03931	2.8
79.05487	75.2
81.03409	65.6
81.07049	100.0
82.03711	1.8
82.04182	1.7
82.07370	2.0
83.01318	1.9
83.04972	28.7
83.08616	27.2
85.02896	25.3
85.06523	7.7
87.04483	2.0
91.03962	1.7
91.05470	68.3
93.07037	64.7
94.07381	1.6
95.04957	40.1
95.05550	2.8
95.08597	48.0
97.02893	22.1
97.06519	38.6
97.10159	16.1
98.07311	3.5
99.04435	4.9
99.08088	4.0
101.02389	2.3
101.06040	2.4
103.05431	2.3
105.07018	54.6
107.04940	28.0
107.08580	41.7
109.02864	8.8
109.06516	15.7
109.10146	36.1
109.10892	1.7
110.07231	1.5
110.10492	2.4
111.04434	7.9
111.08073	13.7
113.06010	4.1
115.05431	3.6
116.04702	3.8
117.05630	2.0
117.07008	22.5
119.04899	1.7
119.08570	43.9
121.06504	10.9
121.10131	25.6
122.07235	2.0
123.04424	4.2
123.08054	14.3
123.11700	7.5
125.09608	17.6
127.03889	12.4
127.11216	4.3
128.06203	2.7
129.05476	11.7
129.06989	13.1
130.07770	2.1
131.04924	2.2
131.08554	29.4
133.06538	8.3
133.10106	34.8
133.11067	2.8
135.08032	10.2
135.11687	15.4
137.05994	2.1
137.09605	12.8
139.11137	3.2
141.07018	3.9
142.07780	2.9
143.06976	4.0
143.08534	7.3
144.09344	2.0
145.04932	2.6
145.06490	4.9
145.10109	20.6
147.04301	2.1
147.08031	7.3
147.11667	26.5
149.09602	37.9
149.13249	9.1
151.07553	2.3
151.11169	8.0
153.09120	2.1
155.08583	5.1
155.10689	2.8
157.08644	5.0
157.10136	21.9
159.08034	3.7
159.11699	12.3
161.09608	7.3
161.13260	5.2
163.11165	14.9
165.09090	5.7
165.12740	6.3
167.10722	2.0
169.10158	5.3
169.12140	2.1
171.06560	1.6
171.10176	4.3
171.11685	4.8
173.04424	7.0
173.05814	1.9
173.09595	3.0
173.11758	6.9
173.13271	5.8
175.11183	12.9
177.12701	8.7
179.14409	2.3
181.10158	2.4
181.12169	2.3
183.11673	3.4
183.66206	1.7
184.07343	3.8
185.13200	3.6
187.11169	4.4
187.14870	2.1
189.11203	9.4
189.12723	3.5
191.10675	2.3
191.14273	3.0
193.12228	24.6
195.13792	6.1
197.13271	3.9
199.11220	3.0
199.13213	2.9
201.14839	2.1
203.10689	2.5
205.12265	2.0
209.11639	4.1
211.13239	30.9
223.13290	4.1
227.12749	17.2
229.14326	14.5
231.13866	1.8
233.15430	3.3
243.15968	3.8
245.19048	2.1
247.20607	2.1
249.14790	2.6
253.14368	2.8
257.18991	7.0
265.14401	2.5
267.15881	24.7
269.17432	10.4
273.18484	9.4
275.20010	40.5
283.15381	6.9
285.16895	25.3
291.19528	31.7
293.21143	4.1
301.16522	22.8
303.04956	9.5
309.17056	1.9
309.20547	2.8
329.21063	2.7
339.18069	2.0
347.22079	3.4
347.74557	1.7
349.23737	26.0
350.23941	3.4
359.22128	1.9
363.21848	1.7
365.23117	12.8
367.25031	2.4
377.84103	1.8
383.24149	4.2
397.21945	2.6
413.21744	1.7
419.63034	1.9
421.25800	5.9
423.27344	4.0
429.21558	1.9
435.27509	2.5
439.26926	7.3
449.29144	2.0
453.28821	2.5
461.29041	4.0
477.28232	2.2
479.29874	5.6
483.30975	2.1
495.29456	2.0
503.33264	2.7
539.33337	2.5
540.33685	6.3
541.35120	5.4
557.34692	18.1
558.35333	3.7
559.36066	5.4
560.36365	2.4
575.35791	38.9
576.35626	3.6
593.36755	20.3
671.87726	2.0
719.39697	3.6
737.40625	3.7
755.40442	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	755.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.5
55.01859	0.9
55.05484	2.8
57.03413	1.8
57.07058	1.4
61.02927	1.3
61.87737	0.6
62.35540	0.6
67.05492	4.4
69.03069	1.0
69.03416	15.3
69.07053	2.0
70.06554	0.8
70.21420	0.7
71.04964	2.6
71.08250	1.0
73.02890	1.0
79.05478	5.4
81.03406	5.9
81.07043	12.2
83.04935	1.6
83.08572	0.8
84.66157	0.6
85.02890	58.7
87.04449	0.7
91.05467	11.2
93.07029	7.6
95.04967	3.6
95.08032	0.9
95.08596	8.5
97.02875	7.4
97.06524	3.3
99.04434	7.9
103.05424	1.3
105.07014	24.5
107.04945	1.5
107.08585	11.1
109.02846	2.8
109.06511	9.8
109.10136	14.5
111.04416	2.0
111.46922	0.6
113.09593	0.9
115.05408	1.0
115.62576	0.6
116.06200	1.4
117.07011	3.5
119.08559	30.7
121.06495	3.2
121.10121	17.0
122.05954	0.7
123.08078	6.7
123.11685	62.6
125.05971	11.0
125.09601	2.9
127.03899	8.6
128.06203	1.1
129.06969	2.3
130.07751	2.9
131.08553	5.7
133.06465	9.2
133.07443	1.1
133.09219	0.7
133.10074	3.6
135.08035	1.2
135.11627	0.9
137.05940	1.2
137.09592	1.6
137.13173	0.9
139.07497	1.5
141.06982	1.2
143.08522	2.6
145.04913	2.6
145.06406	0.7
145.10101	21.7
145.11240	1.2
146.10771	1.4
147.08018	5.8
147.11664	45.1
148.11998	1.7
149.09595	45.6
150.09966	0.8
151.07509	6.4
153.01816	1.2
155.10687	3.1
156.09317	8.4
159.08032	2.7
159.11649	1.4
160.08771	0.8
161.09610	2.0
161.13213	3.1
163.11153	2.2
165.09097	0.8
165.12721	4.0
167.07059	1.0
167.10657	12.8
169.08594	1.0
171.11655	7.7
173.03603	0.8
173.13359	0.7
174.10353	2.9
179.14320	1.1
181.12181	0.8
183.13734	0.7
189.12711	100.0
190.13019	7.3
191.10555	0.8
201.12653	0.7
207.13763	60.1
208.14105	2.3
225.14812	56.3
226.15147	1.0
231.13815	0.7
249.14848	2.1
251.09148	1.2
273.14783	0.8
289.73831	0.7
291.15787	0.9
329.15823	1.0
333.16928	12.4
334.17267	0.7
351.17960	35.6
369.19022	49.6
370.19498	1.5
387.20059	28.0
387.24954	1.5
389.26953	1.0
411.20059	0.7
413.26804	2.1
431.27933	5.0
451.62750	0.7
531.24353	1.4
557.30481	0.8
575.32080	5.4
578.67255	0.7
593.33209	3.8
737.36835	2.0
755.38525	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	754.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.7
53.91492	1.8
55.01847	4.0
55.05500	24.2
57.03424	13.5
57.07063	2.4
62.97963	1.8
65.03918	4.9
67.05495	74.2
69.03416	2.6
69.07053	23.0
71.04990	4.3
71.13991	5.4
73.06529	2.3
74.79933	1.9
77.74149	2.0
79.05482	96.1
81.03414	10.0
81.07039	68.9
83.04975	10.7
83.08610	12.6
85.06538	5.7
86.09679	3.4
91.04884	3.8
91.05463	87.2
93.07027	87.7
95.04948	23.3
95.08599	37.1
97.02873	2.0
97.06503	6.7
97.10148	4.7
103.05439	2.2
105.07012	81.3
107.04956	9.5
107.08575	40.0
109.06500	7.6
109.10130	12.6
111.08082	2.6
117.06998	22.7
119.08563	65.5
120.08900	2.4
121.06510	3.1
121.10120	26.8
123.08055	7.2
128.06219	3.5
129.06984	22.5
130.07901	1.9
131.08562	28.1
133.06483	2.1
133.10110	44.8
135.08038	5.0
135.11693	14.7
143.08530	15.7
145.10092	27.7
147.08005	3.2
147.11664	62.1
149.13237	10.7
155.08528	4.3
157.10127	9.9
159.11671	17.4
159.59778	1.9
161.09604	5.9
161.13234	32.7
163.11215	3.4
163.14763	3.5
169.10147	3.6
171.11673	31.5
173.13239	11.0
175.14752	12.7
177.12701	3.8
183.11685	5.3
184.07295	13.5
185.13242	7.8
187.11040	2.5
187.14781	2.7
189.12721	12.1
195.11690	3.2
199.14816	4.4
203.14212	2.7
207.13765	21.5
208.00372	2.3
213.16393	3.3
217.19548	2.7
231.21051	3.8
235.14847	2.3
241.14496	3.1
241.19458	25.5
243.21130	2.7
259.20560	68.2
279.15808	24.1
281.17422	76.6
281.19724	2.8
297.17029	3.6
315.23279	5.7
333.24173	58.6
429.31454	3.1
444.23996	2.6
447.32309	10.9
465.33621	5.8
483.34531	4.4
521.36407	4.5
539.37219	100.0
540.37299	5.0
543.36444	2.6
557.38470	28.5
558.39038	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.3
55.01857	6.1
55.05500	31.9
57.03424	17.9
57.07053	6.2
60.08159	2.6
61.02911	7.9
62.00678	1.5
65.03927	3.4
67.05495	100.0
69.03417	6.4
69.07050	21.2
71.04982	3.5
71.08611	2.1
71.62557	1.6
71.62965	1.6
73.02876	2.6
79.05479	56.3
81.03400	14.8
81.07043	73.4
83.04952	6.5
83.08607	17.3
85.02885	9.7
85.06528	4.1
85.10139	2.3
86.09685	9.1
91.03946	3.8
91.05470	39.9
93.07028	67.9
94.07349	2.1
95.04962	23.2
95.08590	56.9
97.02866	7.1
97.06504	7.2
97.10147	14.1
99.04424	1.9
103.05424	2.0
105.07005	21.7
106.41718	1.9
107.04969	9.4
107.08577	35.9
107.19686	1.7
109.02860	2.0
109.06490	3.7
109.10136	39.4
111.08056	5.1
117.06996	15.5
119.08559	19.8
121.06493	6.6
121.10119	26.2
123.04325	2.0
123.11679	6.1
125.00001	8.4
125.09596	14.0
127.03847	2.2
128.06206	2.1
129.06949	2.6
131.08546	20.0
133.10129	13.4
135.08011	4.7
135.11685	14.2
137.09499	2.7
141.06955	3.2
143.08554	4.7
145.06488	1.8
145.10095	13.8
147.11652	11.0
149.09598	3.2
149.13248	9.1
151.43362	2.1
157.10078	4.4
159.11665	16.8
161.09558	2.3
161.13249	5.8
163.14809	3.7
169.10150	2.5
171.11629	2.4
173.11734	4.1
173.13234	5.7
175.14787	1.9
177.12711	5.1
184.07304	37.7
185.13123	2.0
187.11125	4.2
187.14743	3.1
189.11154	11.5
199.13222	1.7
205.12244	6.9
223.13239	55.1
224.13766	1.5
227.12727	9.3
229.14336	14.2
243.21046	5.5
250.73311	1.7
261.22049	16.8
279.15799	3.9
297.16922	90.3
298.17297	2.2
301.16440	4.0
307.78113	1.5
311.23602	1.9
313.27267	6.6
315.23285	2.0
317.24728	2.0
329.24728	2.0
335.25745	91.2
336.26172	3.9
406.01437	1.6
447.32162	2.6
465.33875	3.1
483.34659	2.8
489.35776	15.4
529.38800	3.4
539.37640	7.2
557.38281	80.3
558.38501	6.2
575.39166	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	754.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01867	6.9
55.05504	7.9
57.03423	3.1
57.07049	1.0
59.04981	1.6
61.79097	0.7
65.03913	0.8
67.05495	16.1
69.03412	1.8
69.07059	11.1
71.05001	1.2
71.61950	0.9
71.62369	1.3
79.05046	1.3
79.05482	14.7
81.03410	6.4
81.07047	24.4
83.01331	2.0
83.04971	5.3
83.08620	5.8
85.02908	1.5
85.06500	1.1
91.05466	22.6
93.07034	18.1
95.01309	2.2
95.04941	5.5
95.08593	13.4
97.02854	1.2
97.06516	10.9
97.10149	2.1
97.57709	0.8
99.04437	1.4
103.05470	0.8
105.07017	31.4
107.04932	8.5
107.08595	10.3
109.06518	2.9
109.10117	3.6
111.04422	1.5
111.08047	1.7
117.07014	6.3
119.08562	17.7
121.06486	2.6
121.10109	5.9
123.04395	1.2
123.08024	4.1
125.09671	0.9
129.07002	1.2
131.08536	8.6
133.10118	16.1
135.08058	1.8
135.11691	7.9
137.09576	1.9
143.08543	2.5
145.06461	2.0
145.10097	12.4
147.08081	1.1
147.11661	7.1
149.09622	2.4
149.13243	1.7
155.08519	1.5
157.10164	2.3
159.07983	1.3
159.11684	4.0
161.13222	2.8
163.11157	8.6
165.09116	0.9
165.90535	0.8
169.10153	1.3
171.11719	1.4
173.13266	2.4
175.11156	1.3
177.12685	0.9
179.14288	4.5
184.07320	4.6
187.11171	1.5
191.10612	0.9
209.11734	2.2
213.16302	0.8
227.12784	3.3
232.99602	0.8
257.19006	2.2
267.65030	0.7
275.20023	26.1
280.68195	0.8
283.15378	26.3
293.21045	1.4
349.23682	14.1
367.88385	0.9
477.28543	0.9
539.33350	2.5
557.34674	100.0
558.34888	4.3
575.35669	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.3
55.01863	19.0
55.05500	41.1
57.03424	21.2
57.07072	6.6
57.56109	1.1
59.04993	5.3
61.02895	3.2
65.03916	4.4
67.05492	99.0
68.05811	1.4
69.03069	1.7
69.03417	26.0
69.07061	26.4
69.32221	2.1
69.32622	10.5
71.01334	4.2
71.04980	12.3
73.02896	5.7
77.03942	1.4
79.05478	42.6
80.05812	1.4
81.03404	100.0
81.07043	52.9
82.07368	1.4
83.01315	2.2
83.04967	28.4
83.08604	26.8
85.02891	40.0
85.06527	5.6
85.96172	1.0
87.04445	1.3
91.05466	44.4
93.07027	35.4
95.04951	32.7
95.07973	1.1
95.08589	24.1
97.02877	24.9
97.06516	10.3
97.10157	22.2
99.04436	6.0
99.08086	3.0
101.02355	2.3
103.03948	2.4
103.05470	2.1
105.04494	1.3
105.07018	28.0
107.04948	17.9
107.08573	26.5
109.02859	17.9
109.06477	7.5
109.10134	52.5
111.04411	12.5
111.08059	11.9
113.06004	2.3
115.03887	1.6
115.05402	2.0
116.04689	1.8
117.06998	11.3
119.04941	1.3
119.08557	24.7
121.06484	9.0
121.10114	16.0
123.04388	4.3
123.08041	10.5
123.11658	3.0
125.09606	19.5
127.03918	12.9
127.07564	1.4
127.11150	2.5
128.06230	1.6
129.05446	4.9
129.06985	13.5
131.03392	1.7
131.04916	1.5
131.08534	13.9
133.06482	6.2
133.10114	13.4
135.04395	2.1
135.08011	6.4
135.11670	9.2
137.05911	2.4
137.09567	6.4
139.03906	2.2
139.07407	1.0
139.11192	1.6
141.06940	1.8
142.07748	2.6
143.08546	4.8
143.10654	1.3
145.06482	3.0
145.10104	10.0
147.04373	2.6
147.08012	7.7
147.11653	14.5
149.05931	2.1
149.09569	11.0
149.13263	1.4
151.11201	2.9
153.05415	1.4
153.09058	2.2
153.12717	4.5
155.10608	3.0
157.06490	1.7
157.10083	12.3
158.05627	1.3
159.07996	2.2
159.11674	3.8
161.05923	1.7
161.09595	3.8
161.13164	1.9
163.11145	12.0
165.05429	1.8
165.09088	2.1
165.12708	3.4
169.10124	1.7
171.06459	3.2
171.10258	1.7
171.11673	3.7
173.04449	11.0
173.09628	3.0
173.11713	11.4
173.13150	2.0
175.11133	12.0
177.12772	2.2
181.12242	5.3
183.06566	1.5
185.08034	2.2
185.09534	1.4
185.13159	1.7
187.11093	1.6
189.11182	9.9
189.12682	2.2
191.10596	4.4
193.10400	1.7
193.12206	33.9
199.05917	1.7
199.11246	2.4
199.13261	3.0
201.12857	1.7
203.10521	1.3
205.12146	2.6
209.11699	4.7
211.13246	39.5
223.13260	5.3
227.12723	16.9
229.12115	1.7
229.14301	22.8
233.15344	1.7
235.13263	3.7
247.13185	1.6
249.14752	2.0
255.15797	2.2
259.13342	1.9
265.14197	2.0
267.15863	15.7
269.17499	2.5
271.16837	2.2
273.15134	2.6
273.18430	7.0
275.19992	4.5
277.14331	3.8
283.15399	13.9
284.15836	1.6
285.17026	6.5
289.17743	1.9
291.16293	1.6
291.19455	17.0
299.14792	1.4
301.16882	5.2
309.16876	6.0
311.22363	2.0
319.15433	1.4
337.16394	1.9
339.17877	1.9
345.20557	1.4
347.22006	1.8
349.23666	1.9
351.17731	1.5
353.15955	2.4
355.17667	1.9
365.23196	3.0
371.16959	1.4
393.18524	1.5
409.25818	1.7
411.20148	1.1
421.25644	5.8
422.02939	1.3
427.19250	2.1
437.25110	1.2
439.26837	40.1
440.27286	1.8
463.26651	3.1
475.26437	1.7
493.27924	2.3
511.28763	2.7
519.32941	3.9
531.30219	1.8
539.33374	2.5
557.34637	3.5
573.34613	5.2
575.35541	2.1
583.31055	3.3
591.35431	3.4
609.35376	2.7
637.32288	2.4
637.79083	1.5
655.32172	1.7
706.10742	1.2
717.38159	1.7
735.38892	3.9
753.40485	19.4
754.40668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67616	0.5
53.03915	1.4
55.01853	1.3
55.05500	6.4
55.05752	0.9
56.64946	0.5
56.79326	0.6
57.03427	10.7
57.07068	25.9
65.03917	0.8
67.05166	1.0
67.05493	13.9
68.67144	0.7
69.03406	1.2
69.07063	6.5
69.30588	3.2
69.31010	3.2
69.95450	0.6
71.04957	2.0
71.08621	17.3
74.97066	0.6
77.88508	0.5
79.05482	7.2
81.03406	52.6
81.06579	0.9
81.07045	14.8
83.04985	2.9
83.08605	18.4
85.02885	0.8
85.06450	0.8
85.09703	0.8
85.10172	9.8
86.09704	1.0
89.05988	1.8
91.05466	8.2
92.84615	0.6
92.91470	0.5
93.07030	5.3
95.04955	15.0
95.08039	1.1
95.08594	13.9
96.40847	0.6
96.44430	0.5
97.02857	1.7
97.06525	1.1
97.10162	4.3
99.08068	0.9
99.11693	0.9
103.07549	0.7
105.07021	8.2
107.04948	3.9
107.08553	2.8
109.02863	0.9
109.06474	2.3
109.10136	8.0
111.04409	0.9
111.08058	4.0
111.11653	0.8
117.06974	0.9
119.04900	0.9
119.08556	7.1
121.06487	1.4
121.10131	3.9
121.85680	0.6
123.04395	0.9
123.08066	0.8
123.11665	2.6
129.06984	4.4
131.08557	5.4
133.06424	1.9
133.10115	3.2
137.09666	1.0
137.13220	1.3
145.10118	1.0
147.08017	2.1
147.11642	4.6
149.09595	3.7
157.10104	5.9
163.11147	0.8
165.12691	1.2
175.11136	6.9
184.07320	3.4
189.12651	0.9
193.12215	21.5
211.13313	1.6
235.13344	1.0
239.23700	1.9
249.14847	1.7
251.75410	0.8
256.11490	0.7
257.24576	1.3
267.15872	100.0
268.16156	2.3
273.14624	0.8
290.60889	0.6
301.14316	0.8
303.31506	0.7
309.17029	1.4
313.27316	89.8
314.27646	1.9
498.89648	0.7
505.38815	77.8
506.38974	2.8
523.39948	1.5
547.39740	2.4
595.46753	0.7
601.41388	0.9
613.40784	1.1
631.41376	0.8
649.42566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01848	1.0
55.05501	6.4
57.03428	12.4
57.07067	26.2
67.05495	11.9
67.05833	1.6
69.03431	1.8
69.07047	6.8
69.30626	8.6
71.04974	1.8
71.08620	19.5
72.75223	0.8
79.05488	6.2
81.03403	55.9
81.07037	15.8
83.04958	2.3
83.08604	18.3
85.02909	1.0
85.10160	11.5
86.09690	2.3
86.75240	0.9
89.06020	1.8
91.05453	8.6
91.22542	0.7
93.07031	6.0
95.04949	14.6
95.05531	1.2
95.08592	18.9
97.10136	4.4
98.20744	1.5
103.07565	1.2
105.07003	7.5
107.04942	3.1
107.08581	2.6
109.06542	2.1
109.10146	7.8
111.04408	1.4
111.08074	5.9
111.11748	0.9
115.05442	1.4
117.06973	1.0
119.08569	6.9
121.06490	2.2
121.10093	4.5
123.04391	1.4
123.08029	0.8
123.11687	3.5
124.99947	1.0
129.06989	6.3
131.08530	4.9
132.95369	0.7
133.06471	2.4
133.10109	3.7
135.11629	1.4
137.06017	0.8
137.09659	1.2
137.13226	1.2
142.07806	1.4
145.10127	1.0
147.08005	2.0
147.11670	5.5
149.09601	3.6
157.10101	5.4
161.13336	1.1
163.11162	1.7
165.12778	1.8
175.11183	6.9
181.07156	0.8
184.07317	7.4
188.31607	0.9
193.12213	24.7
207.92889	0.8
211.13307	2.3
221.22606	0.8
239.23616	1.5
245.47322	0.9
249.14954	1.4
257.24570	1.3
267.15869	99.5
268.16278	2.2
275.20090	0.9
275.64468	0.9
301.14273	1.0
309.16946	1.8
313.27307	100.0
314.27682	2.9
351.51407	1.0
422.37503	0.9
432.71768	0.9
444.05042	0.9
493.38803	1.3
505.38794	83.1
506.39316	2.1
523.39569	1.7
547.39838	2.9
601.40869	1.3
601.98016	0.9
611.46643	1.1
613.70306	0.9
631.40985	1.3
654.69141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
54.22459	0.6
55.01659	0.6
55.01865	7.6
55.05502	8.0
56.83701	0.5
57.03419	2.3
57.07059	0.9
65.03941	1.5
65.43105	0.6
66.53303	0.7
67.05494	20.8
67.06513	0.6
69.03426	1.2
69.06713	1.0
69.07058	13.0
70.35862	0.6
70.78536	0.6
71.04974	1.1
71.36061	0.8
71.36411	1.2
73.44836	0.6
74.40554	0.6
79.05482	24.0
81.03406	5.5
81.07044	25.5
83.04969	5.0
83.08604	3.5
83.41407	0.6
85.06502	1.5
91.05466	29.7
93.07030	20.8
93.07622	1.1
95.01324	3.0
95.04955	7.3
95.08593	15.0
97.02889	1.1
97.06522	17.8
97.10152	1.9
99.08060	0.9
103.05492	0.8
105.04546	0.7
105.07014	32.3
107.04956	8.2
107.05631	1.3
107.08588	9.1
109.06497	2.9
109.10145	3.5
111.08069	1.4
117.07010	7.0
119.08561	17.9
121.06503	2.7
121.10113	4.1
123.04419	0.7
123.08025	2.7
123.11675	0.6
125.09607	0.8
129.06975	5.4
131.08549	6.8
133.10110	17.0
135.08028	1.8
135.11670	3.5
139.07545	0.7
141.07004	1.0
143.08559	3.0
145.06459	1.1
145.10106	7.5
147.08060	1.6
147.11652	12.9
149.09593	3.8
149.13242	1.5
151.11201	1.1
155.08543	1.3
157.10138	1.3
159.11682	4.0
161.09659	0.8
161.13202	5.4
163.11165	2.9
165.09216	1.3
165.12762	0.6
169.10139	1.0
171.11642	5.7
173.13277	1.7
177.12721	1.5
179.14265	5.0
183.11682	0.8
187.11183	1.9
189.12711	2.4
197.13174	1.0
207.13818	4.0
239.17932	0.9
257.18976	1.7
259.20538	1.4
263.16483	1.4
275.20020	32.5
276.20419	0.9
279.16064	3.0
281.17429	25.0
293.21097	2.2
301.16364	0.8
313.74374	0.7
349.23700	14.8
439.27188	0.7
537.35962	2.4
555.36725	100.0
556.37073	5.1
573.37817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
54.64415	0.1
55.01868	0.4
57.03439	0.2
65.03915	0.3
67.05504	0.2
70.06564	0.2
71.62434	0.1
71.62881	0.2
75.04455	0.4
77.03942	0.1
77.91284	0.1
78.04691	1.2
79.05472	1.2
81.03413	0.3
81.07033	0.2
85.02880	0.5
89.03879	0.2
91.05466	2.6
92.05778	0.1
93.03385	1.3
93.07034	1.9
95.04957	1.1
97.02835	0.2
97.06493	0.3
103.05449	1.8
105.03353	0.2
105.07009	2.3
106.04151	3.0
107.04935	2.1
107.08559	0.1
109.02889	0.2
109.06503	0.4
109.10108	0.2
109.82930	0.1
111.04469	0.1
115.05406	0.3
117.06977	0.3
118.04111	0.4
119.04896	0.4
119.08511	0.2
121.02766	0.2
121.06487	6.2
122.03632	0.2
123.04407	2.7
123.08002	0.2
124.05197	1.2
125.06004	1.1
128.41182	0.1
130.04056	0.1
131.04897	0.8
131.05894	0.2
132.01030	0.2
132.05743	0.1
133.02757	0.1
133.06467	2.5
134.03546	0.7
135.04364	0.4
135.08037	0.5
137.05945	1.5
138.06708	0.3
139.07516	0.4
145.02829	0.2
145.06465	0.2
147.04399	0.4
148.05107	0.5
149.05954	10.7
150.06668	0.5
151.02156	0.3
151.03894	0.7
151.07510	1.6
152.04623	1.1
152.08279	0.3
153.05412	0.3
153.09082	0.9
155.92406	0.1
159.04372	0.3
160.05135	0.1
161.04747	0.2
161.05962	2.4
162.01309	0.6
163.02077	0.2
163.03870	0.8
163.07501	0.7
165.05470	0.2
165.09096	0.9
166.06219	1.1
167.07005	100.0
168.07361	1.8
176.04741	0.2
177.05440	2.9
177.06863	0.2
177.09052	0.3
178.06194	0.3
179.01550	0.4
179.07030	1.0
179.10544	0.2
180.07767	0.4
181.05017	0.4
181.08557	14.6
182.08868	0.3
190.00778	0.5
191.06979	1.4
192.06424	0.2
193.08571	10.7
194.08925	0.2
195.06625	0.2
195.10118	0.4
207.08868	0.5
208.01900	0.5
209.08046	5.6
211.09613	53.1
212.09981	0.9
219.10147	0.1
223.04205	7.6
223.09543	0.8
241.10712	0.2
312.08908	1.7
330.10046	0.9
370.46222	0.1
371.14734	0.2
373.16403	0.6
386.72607	0.2
403.17264	0.2
484.27548	0.1
537.94116	0.2
734.39215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.0
55.01859	4.9
55.05253	2.1
55.05502	24.3
57.03432	17.7
57.07069	49.1
67.05120	1.8
67.05493	33.8
67.81542	1.7
69.03420	10.1
69.07056	18.2
70.18977	8.0
71.04964	4.2
71.08622	37.5
72.51890	1.9
73.02903	2.6
75.04459	2.4
79.05482	18.1
81.03407	98.9
81.07049	42.1
82.07397	2.4
83.04955	13.1
83.08610	40.8
85.02886	13.0
85.06520	3.7
85.10162	24.1
86.09682	2.0
91.05469	25.8
92.05773	2.4
93.07029	15.9
94.04174	4.5
95.04959	35.3
95.08592	31.6
97.02878	4.2
97.06497	3.8
97.10187	12.6
99.04439	3.7
105.07008	22.3
107.04925	6.9
107.08570	13.4
109.02875	11.5
109.06477	4.9
109.10143	15.5
110.03658	2.2
111.04409	10.0
111.08060	10.2
111.11691	2.3
117.06961	3.1
119.04919	3.0
119.08562	22.3
121.06470	3.8
121.10103	11.4
123.04412	4.3
123.08038	2.6
123.11668	4.2
127.03878	4.3
129.06992	13.7
131.08553	14.9
133.06453	5.7
133.10104	8.8
135.11647	4.2
137.09604	3.0
142.07738	3.2
145.10056	3.5
147.07999	5.3
147.11655	15.2
149.05869	2.0
149.09587	6.7
153.12675	2.0
157.10109	14.8
159.11603	2.5
165.12717	5.7
175.00568	5.7
175.11177	17.7
181.12216	2.2
184.07330	8.5
191.00020	6.2
191.10678	2.8
193.12209	60.7
204.30133	2.0
209.01158	2.1
211.13264	52.6
222.03391	1.7
227.12759	4.9
229.14119	2.1
235.13271	6.9
239.23682	11.0
249.14734	4.2
257.24811	3.1
259.13275	2.4
267.15872	76.6
268.16217	2.2
285.17032	11.4
301.14301	4.3
309.16794	4.0
313.27335	100.0
314.27518	2.8
320.79434	2.3
375.18231	1.9
383.11365	3.4
398.78143	1.8
419.13708	5.9
465.25269	2.1
473.62039	1.8
475.15775	2.6
493.17371	28.0
505.38779	57.0
506.39172	2.6
523.39868	50.7
524.39996	2.9
539.28967	8.4
547.39258	3.1
552.42084	4.0
627.90857	2.3
731.39447	2.8
745.31885	2.2
749.40704	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	747.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.05487	1.5
55.40781	0.5
57.03424	1.8
57.07068	0.8
60.08144	1.5
61.02929	5.7
66.95963	0.5
67.05501	4.8
69.03422	3.3
69.07063	1.9
69.42854	2.9
69.43279	2.1
71.01331	0.6
71.04980	0.6
71.07346	0.6
73.02916	3.9
79.05494	3.8
81.03410	3.2
81.07047	5.3
83.08602	2.1
85.02897	6.6
86.09695	6.4
87.04461	0.9
87.10032	1.2
91.03949	4.5
91.05485	3.1
91.29472	0.6
93.07030	4.6
95.04965	1.5
95.08607	4.5
97.02879	5.1
97.10126	0.6
99.04459	0.9
99.42354	0.5
101.02386	2.0
105.07009	2.2
107.08572	2.0
109.02884	0.9
109.10156	1.8
117.07040	0.7
119.08582	1.3
121.10144	2.3
125.00019	4.8
127.03930	1.4
131.08568	1.8
133.10089	1.0
135.11710	1.1
145.10175	0.6
147.11642	0.9
155.92863	0.5
159.11688	0.6
173.13257	0.6
184.07321	22.0
185.07668	3.3
193.12370	0.5
243.08495	1.5
251.12589	1.3
270.58203	0.6
297.48776	0.5
335.26172	0.8
465.69244	0.7
469.20447	3.4
519.29224	6.6
691.36072	0.6
747.42816	100.0
748.43091	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	747.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
53.90977	0.4
55.05496	1.3
57.03415	2.0
57.48071	0.4
61.02917	4.0
67.05490	3.2
69.03408	2.5
69.07056	1.4
71.04986	0.7
71.62952	0.6
73.02906	3.6
79.05484	2.8
81.03411	3.4
81.07044	3.9
83.08643	0.8
85.02892	5.1
86.09680	1.8
87.04524	0.4
91.03947	2.4
91.05453	2.5
93.07026	3.1
95.04971	1.3
95.08601	2.3
97.02874	4.4
97.06523	0.4
98.01083	0.4
98.98431	0.5
99.04462	0.8
101.02364	1.4
105.07017	1.4
107.08601	1.6
109.02857	1.1
109.06498	0.6
109.10136	0.6
111.08062	0.4
117.06969	0.5
119.08562	1.6
121.10113	1.1
124.99971	2.1
127.03935	0.9
129.06926	0.7
131.08580	1.3
133.10162	0.7
145.10112	0.5
147.11702	1.2
149.13297	0.4
157.10176	0.7
171.62338	0.4
175.11214	0.6
184.07314	10.5
185.04250	0.8
185.07722	1.6
186.45583	0.4
193.12253	0.9
203.65503	0.4
211.13315	0.7
223.43675	0.4
227.42477	0.5
243.08447	2.0
251.12544	0.9
327.20407	0.4
335.25940	0.9
460.43546	0.4
469.20279	7.5
519.29248	4.4
747.42755	100.0
748.43127	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	744.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
53.50768	1.0
54.97091	1.1
55.01857	3.2
55.05260	1.5
55.05505	18.6
57.03431	13.0
57.07056	3.9
57.64353	1.0
59.04971	1.4
60.08145	1.7
61.02914	3.4
67.05497	50.5
69.03409	2.7
69.07057	20.5
71.04982	3.4
71.08627	1.2
73.02916	1.4
79.05053	1.6
79.05487	23.9
81.02920	1.2
81.03406	39.6
81.07047	48.9
83.04971	9.1
83.08131	1.7
83.08607	22.1
85.02890	19.7
85.06521	3.0
86.09699	13.4
91.03973	1.3
91.05469	26.8
93.07034	21.7
95.04957	18.3
95.08595	34.9
97.02876	4.1
97.06514	4.5
97.10131	6.2
99.08126	1.6
105.07023	21.2
107.04939	4.5
107.08587	11.9
109.06492	2.9
109.10152	15.0
111.04427	1.7
111.08069	6.9
113.05994	1.9
115.05419	1.5
117.07042	1.5
119.08552	16.9
121.06512	1.1
121.10129	12.7
123.08046	2.5
123.11686	6.6
124.99991	6.9
125.09612	3.9
129.06967	7.9
131.08540	8.5
132.28769	1.0
133.06458	1.8
133.10106	12.0
135.11688	4.3
137.09584	1.5
137.13264	2.5
142.07788	2.0
145.10052	3.3
147.08063	1.6
147.11682	14.1
149.09592	4.4
149.13205	1.9
151.11227	1.9
157.10126	11.1
161.13258	2.2
161.51526	1.1
163.11185	1.6
163.14810	2.1
165.12758	2.9
175.11143	11.6
184.07314	33.7
184.08937	1.7
187.14795	1.2
192.42827	1.0
193.12234	30.8
211.13268	56.2
212.13608	2.3
227.12778	1.6
245.22845	1.8
263.23627	3.0
267.15894	13.1
275.23209	1.3
285.16940	71.3
286.17319	2.2
319.26236	1.4
335.25711	2.7
337.27316	62.0
338.27643	3.5
468.34531	1.2
484.37085	1.9
489.35605	5.0
522.11139	1.3
529.38824	14.4
530.39453	2.6
547.39893	100.0
548.40186	9.4
741.13873	1.3
744.44421	3.5
745.41376	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
55.01854	2.2
55.05504	16.2
57.03420	8.8
57.07037	1.9
59.04964	1.4
61.02890	4.7
65.03921	2.5
67.05492	86.7
69.03404	4.2
69.07056	15.2
70.38886	2.9
71.04980	15.6
73.02880	1.9
79.05054	2.1
79.05477	31.3
81.03397	9.8
81.07042	45.5
83.04936	6.7
83.08595	12.3
85.02889	6.0
85.06496	3.8
86.09666	6.7
91.03937	1.3
91.05457	24.5
93.07022	42.2
93.07612	2.0
95.04965	8.5
95.08588	33.5
97.02869	2.2
97.06485	4.3
97.10136	4.6
99.08042	1.7
105.06361	1.6
105.07011	14.9
107.04942	2.0
107.08579	20.6
108.08907	1.4
109.06487	2.8
109.10133	62.9
111.08045	5.0
113.05991	1.3
117.06997	4.3
119.08556	17.8
121.10117	17.6
123.11662	3.8
124.99963	4.8
129.06987	3.3
131.08514	7.2
133.10112	10.5
135.11655	14.3
137.09593	8.6
137.13162	1.4
145.10144	6.2
147.11624	5.3
149.09573	2.5
149.13239	3.3
155.10629	3.1
157.10040	2.5
159.11653	3.6
161.13162	2.8
163.11113	3.2
165.12701	1.4
169.12280	1.8
173.11702	6.3
173.13196	3.3
175.11154	4.4
181.12212	1.5
184.07301	20.1
193.12242	6.7
193.87207	1.2
211.13255	9.6
228.13463	1.5
229.14275	1.5
243.15797	2.0
255.15863	3.4
261.22104	3.3
267.15808	2.4
285.16898	13.4
286.17044	1.4
287.18488	16.4
335.25684	25.4
337.27289	14.2
338.27579	1.4
390.37610	1.2
464.81937	1.4
471.34390	2.2
489.35660	78.5
490.35675	3.6
503.37137	2.9
515.37329	9.8
529.38623	3.4
538.49927	1.5
547.39813	100.0
548.40332	6.0
577.48566	1.3
685.33966	2.4
744.41614	4.9
745.40802	12.8
751.08008	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
53.38921	0.8
55.01657	0.8
55.01866	9.2
55.05500	25.7
57.03429	20.8
57.07051	3.0
60.08152	2.2
61.02917	4.4
61.61455	1.0
65.03918	2.7
67.05492	79.2
69.03424	7.5
69.07057	37.3
69.49610	0.9
69.90662	2.9
69.91067	2.1
71.01350	5.1
71.04990	6.9
71.14455	0.8
77.03907	1.0
79.05479	69.8
81.03403	12.7
81.07044	66.9
83.04969	15.9
83.08607	15.1
85.02882	5.2
85.06528	4.9
85.38439	0.9
86.09698	11.6
91.04885	1.6
91.05465	43.6
93.07028	84.7
94.07355	1.4
95.04951	12.4
95.08591	26.1
97.02869	4.3
97.06515	24.7
97.10159	21.5
98.20761	1.8
99.04414	2.8
99.08060	3.5
103.05438	0.9
104.10740	0.9
105.04511	1.4
105.07014	30.4
107.04943	8.4
107.08575	57.1
109.02843	2.2
109.06508	5.6
109.10133	13.6
111.04463	1.0
111.08086	5.0
113.05962	1.0
113.09600	1.8
115.05442	1.2
117.07001	15.4
119.08562	23.0
121.06460	6.1
121.10126	20.1
123.08058	3.7
123.11678	3.8
124.99982	4.5
125.09617	9.8
127.03893	3.3
128.06224	1.7
129.05478	1.3
129.06970	3.2
130.07739	1.6
131.08549	15.8
133.10110	20.3
135.08044	6.1
135.11668	62.1
137.09546	4.8
139.11115	0.9
141.06956	2.4
142.07680	1.0
143.08560	3.3
145.06444	1.6
145.10103	23.6
147.11667	8.1
149.02296	0.8
149.09598	14.6
149.13231	6.0
151.11160	2.5
153.09128	1.3
153.12700	2.2
155.08498	1.8
157.10089	3.2
159.11661	12.2
161.09576	1.7
161.13220	3.2
163.11160	14.5
169.10127	1.7
171.11679	2.8
173.04440	2.2
173.13196	5.2
175.11150	1.9
175.14719	0.9
177.12723	3.4
179.14268	3.3
181.12198	13.9
183.11679	2.2
184.07304	34.0
185.13274	1.4
187.11203	1.2
189.11211	5.5
195.13783	3.8
197.13297	1.5
199.13232	2.9
227.12735	17.4
229.19482	2.9
239.17908	4.0
247.20593	3.2
253.14343	1.7
253.18068	1.2
255.15866	100.0
256.16162	1.2
257.18979	9.6
269.17438	11.8
275.20020	37.1
291.19653	1.1
293.21078	2.8
331.22681	3.8
349.23651	26.3
351.21622	1.8
367.24582	1.4
375.54205	1.0
409.25711	4.1
425.25348	9.4
428.44653	0.9
433.29312	3.4
435.27365	25.3
449.28915	90.3
450.29431	1.9
465.28546	1.8
473.29126	1.6
511.34091	2.6
513.93158	1.0
529.35168	68.6
530.35419	2.0
547.36139	8.5
569.28705	1.4
593.32880	3.1
744.43652	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.2
56.05015	0.6
57.03436	0.3
58.06600	0.8
59.07369	0.5
60.08155	5.7
67.05490	1.2
69.07054	0.3
69.45277	1.1
69.45704	0.8
71.07366	2.6
79.05478	0.6
81.03409	0.3
81.07053	1.2
83.08589	0.4
86.09694	26.6
87.10035	0.3
91.05476	0.5
93.07035	0.8
95.04963	0.3
95.08597	0.6
98.98462	2.1
104.10732	1.8
105.07056	0.4
107.04919	0.3
107.08598	0.8
109.10135	0.4
112.74326	0.2
117.06998	0.3
119.08543	0.4
121.10133	0.3
124.99992	17.0
129.06955	0.2
129.76846	0.2
131.08481	0.2
133.10088	0.3
143.01010	0.5
147.11707	0.3
149.09641	0.2
149.13133	0.2
184.07317	100.0
185.07661	1.1
193.71121	0.3
222.08891	0.4
224.10373	0.3
227.12767	0.2
250.30820	0.2
255.15868	0.2
269.17123	0.3
292.24719	0.2
309.87604	0.2
362.95062	0.2
449.28787	0.2
559.32239	0.2
614.35089	0.2
643.89056	0.2
744.32147	0.3
744.44342	5.2
745.42822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75286	1.7
53.03946	4.4
54.25900	1.6
55.01855	5.5
55.05504	29.8
57.03431	18.6
57.07066	5.1
60.08149	2.8
61.02909	4.6
65.03915	4.4
67.05495	88.2
68.05811	2.4
69.03423	3.6
69.07058	26.3
71.04969	7.2
71.62835	2.1
72.24471	1.7
79.05482	73.4
81.03402	20.4
81.07046	100.0
83.04960	11.1
83.08615	23.7
83.96280	1.5
85.02890	6.1
85.06539	8.4
86.09715	9.1
91.03923	2.6
91.04886	3.5
91.05466	69.1
93.07030	86.9
95.04947	13.3
95.08591	49.1
97.02886	4.0
97.06516	13.5
97.10148	7.1
99.04472	1.8
99.08094	4.3
105.07011	62.9
105.66132	1.7
107.04948	5.9
107.08585	51.8
109.06507	4.5
109.10140	19.6
111.08080	8.1
115.05425	2.7
117.06994	21.8
119.08560	46.3
121.06464	4.1
121.10123	33.8
123.08041	3.1
123.11666	7.6
124.99982	6.0
125.09631	3.6
129.06952	16.9
131.08539	30.2
133.10118	49.7
135.08047	4.7
135.11658	26.3
137.09541	1.8
143.08548	7.5
145.10106	19.0
147.08035	2.5
147.11667	39.9
149.09589	5.2
149.13242	22.4
151.11171	4.3
157.10095	11.7
159.11665	22.4
161.09595	2.2
161.13240	18.4
163.11137	2.5
163.14842	3.0
164.94095	1.8
165.12706	2.7
169.10097	3.6
171.11653	10.9
173.13245	13.2
175.11160	4.8
175.14801	9.6
177.12741	7.0
183.11777	3.1
184.07312	29.6
185.13234	7.4
187.14767	2.0
193.12230	5.7
195.13708	16.8
199.14766	4.8
211.13243	2.3
212.12556	1.6
213.14764	3.8
227.12785	2.5
229.14304	3.5
231.21069	5.2
241.19505	20.2
243.21043	2.3
259.20529	60.1
260.20914	3.6
261.22119	6.9
267.15872	27.4
269.17419	77.9
270.17804	2.5
275.20078	3.3
277.21622	2.6
285.16867	10.8
315.23172	6.0
327.23203	2.5
333.24194	70.8
335.25778	31.1
351.25436	3.3
435.32355	5.2
453.33762	5.2
471.35080	4.2
509.35953	4.2
522.70142	1.8
527.37268	81.5
528.37585	5.0
545.38318	40.5
635.39502	2.4
671.40436	3.8
689.41724	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01866	1.6
55.05503	16.9
57.03431	15.0
57.07061	1.7
59.04984	0.9
61.00019	0.7
61.02914	3.6
65.03925	2.1
67.05494	45.0
69.03410	5.3
69.07059	13.5
69.50449	3.4
69.50880	2.3
70.52108	0.6
71.04990	3.8
73.02920	0.9
79.05479	36.7
81.03404	47.4
81.07045	47.0
83.04970	11.4
83.08604	22.4
85.02895	20.9
85.03413	1.1
85.06519	1.8
87.04427	0.8
91.03925	1.8
91.04884	1.1
91.05464	32.8
93.07030	36.5
95.04952	20.2
95.08590	27.8
97.02875	4.9
97.06511	4.0
97.10148	4.4
98.20675	0.8
99.04475	0.8
99.08077	1.4
105.07017	22.8
107.04958	6.0
107.08581	18.3
109.06492	5.6
109.10130	10.9
111.04424	2.4
111.08058	9.0
113.05965	1.5
115.05450	1.2
117.07016	3.8
119.08564	19.7
121.06487	1.1
121.10128	18.7
121.11008	1.0
123.08093	3.3
123.11673	4.0
125.09618	2.1
127.03959	0.7
129.06961	8.4
131.08553	15.2
133.06468	2.0
133.10109	14.7
135.11684	6.6
137.09578	1.6
137.13249	1.7
142.07761	2.5
143.08543	0.9
145.10104	5.3
145.91228	0.6
147.08017	2.7
147.11661	14.7
149.09555	5.0
149.13249	2.9
155.08582	0.8
157.10091	10.7
159.11674	3.0
161.13246	2.7
163.11131	1.3
163.14832	2.3
165.12752	3.1
171.11710	0.9
173.13226	2.8
175.11154	12.9
175.14792	0.7
177.16318	0.7
185.13168	0.9
186.50368	0.6
187.14844	0.9
191.14120	0.7
193.12218	43.7
194.12532	0.7
197.13245	0.8
197.38940	0.6
206.94478	0.9
211.13254	67.4
212.13571	1.7
227.12721	0.8
243.15942	0.8
243.21124	2.3
261.22049	9.4
267.15872	14.3
267.18613	1.2
269.17291	0.8
285.16913	76.6
286.17175	1.1
301.25186	1.1
317.24448	3.8
335.25751	73.5
336.26126	1.9
367.56400	0.7
417.31485	1.3
435.32761	1.8
453.33514	2.0
527.37256	12.5
528.37476	1.2
545.38293	100.0
546.38373	5.2
670.93604	1.0
694.46802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.9
55.01839	1.2
55.05257	1.0
55.05500	14.5
57.03428	12.6
57.07063	1.1
57.20813	0.7
58.29556	0.7
61.02904	2.8
65.03931	1.6
67.05492	45.0
69.03410	3.4
69.07050	9.6
71.04970	3.3
71.54038	1.4
79.05479	33.8
81.03404	36.9
81.07042	44.6
83.04965	8.3
83.08601	16.1
85.02424	1.1
85.02892	15.0
85.06507	1.4
91.03938	1.7
91.05463	26.8
93.07027	35.5
95.04952	16.8
95.08591	28.8
97.02882	3.9
97.06504	2.9
97.10144	3.5
99.08038	1.1
103.05432	0.8
105.07014	22.3
107.04961	4.3
107.08575	15.9
109.06502	3.5
109.10139	10.7
111.04413	1.3
111.08047	6.9
113.05950	2.1
117.06998	3.6
119.08559	18.8
121.06461	1.4
121.10117	15.8
123.08025	2.1
123.11677	3.6
125.09589	1.9
129.06958	5.9
131.08545	12.4
133.06464	1.4
133.10097	11.9
135.11659	6.9
135.79826	0.8
137.09647	1.5
139.11121	1.0
142.07745	1.3
143.08594	0.7
145.10106	4.6
147.08044	1.0
147.11662	10.8
149.09618	3.8
149.13217	4.4
157.10124	8.3
159.11650	3.0
161.13252	1.9
163.14717	1.3
165.12688	2.5
173.13243	2.9
175.11183	6.9
187.14815	1.3
193.12213	25.0
211.13257	38.7
227.12764	0.9
243.21049	1.3
261.22101	7.4
267.15875	10.1
285.16904	48.2
317.24698	2.8
335.25732	76.2
336.26144	2.2
435.32831	1.3
453.33194	1.6
471.34955	1.0
527.37347	12.7
528.37213	1.0
545.38293	100.0
546.38690	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	742.472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
55.01858	4.2
55.05499	22.2
55.64359	1.3
57.03432	13.0
57.07064	4.3
58.55077	1.6
60.08141	2.7
61.02909	3.7
65.03934	3.3
66.13534	1.2
67.05495	90.8
69.03416	3.3
69.06707	2.6
69.07053	29.0
71.04977	5.9
71.62954	2.9
79.05481	62.7
81.03405	7.4
81.07043	94.2
82.07381	1.6
83.04971	8.1
83.08604	15.7
85.02853	4.4
85.06509	5.1
86.09695	12.0
86.44836	1.3
87.35117	1.5
91.05465	62.4
92.05763	1.5
93.07028	91.5
94.07408	1.9
95.04956	11.1
95.08595	40.3
97.06519	11.2
97.10143	3.7
99.08089	4.4
103.05403	2.4
104.10746	1.5
105.04487	1.6
105.07014	63.1
106.07342	1.8
107.04932	2.2
107.08578	51.3
109.06497	3.3
109.10143	13.9
111.08066	10.1
113.05984	1.3
113.09661	2.1
117.07009	20.2
119.04950	1.6
119.08566	50.5
121.06499	3.3
121.10123	36.2
123.08027	3.8
123.11679	6.0
124.99986	7.7
127.07555	1.5
128.06165	2.0
129.05502	2.3
129.06993	10.3
131.08548	30.4
131.09505	2.2
133.10114	48.9
134.10490	1.6
135.08041	3.0
135.11668	24.3
137.09671	1.4
139.11096	1.9
143.08508	11.3
144.09279	1.5
145.10110	23.2
147.08032	1.9
147.11668	44.0
148.12029	1.7
149.09569	4.8
149.13235	38.7
151.11159	2.2
155.08546	1.7
157.10091	10.0
159.11670	29.3
161.13225	24.5
163.11159	1.9
163.14833	2.7
165.12741	1.8
169.10094	2.7
171.11662	9.0
173.13179	11.9
175.11189	1.9
175.14816	11.8
177.12735	8.1
183.11658	1.7
184.07312	40.6
185.13170	9.1
187.14728	3.6
189.12651	2.4
195.13789	12.5
197.13101	2.4
199.14861	4.9
201.38904	1.7
217.15851	1.5
217.19508	1.7
231.21062	7.7
231.22975	1.4
241.19479	29.0
242.19897	1.9
257.19098	1.7
259.20547	86.7
260.20795	3.1
261.22101	3.3
267.15897	20.4
269.17426	100.0
270.17786	4.2
277.21497	3.4
285.17102	1.4
297.21927	2.2
315.23071	7.3
333.24197	61.1
334.24362	2.3
335.25809	5.1
351.25192	1.9
435.32434	4.6
453.33536	3.8
471.34741	2.9
509.36124	3.9
517.38562	4.3
527.37225	90.8
528.37677	6.4
545.38403	32.4
562.38269	3.0
689.41925	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01857	1.9
55.05502	13.3
57.03187	0.7
57.03432	11.0
57.07062	1.8
61.02907	2.2
65.03938	1.3
67.05493	32.1
68.05834	0.5
69.03417	2.3
69.07059	8.3
69.70111	3.7
71.04976	3.1
77.03912	0.7
79.05480	23.7
81.03405	34.5
81.07041	36.5
83.04961	7.6
83.08603	15.9
85.02892	15.2
85.06557	1.2
86.09669	1.3
91.03942	0.7
91.04887	0.6
91.05464	19.6
93.07030	28.5
94.07338	0.6
95.04951	13.9
95.08591	25.3
97.02892	3.5
97.06492	2.6
97.10143	3.2
99.08067	1.3
105.07011	15.3
107.04942	2.7
107.08574	13.3
109.06477	2.5
109.10138	9.8
111.04433	1.4
111.08060	7.6
113.06006	1.5
115.05459	0.8
117.07009	2.8
119.08562	12.3
121.06485	0.8
121.10120	13.5
123.08086	1.4
123.11683	3.9
124.99988	1.1
125.09563	1.2
129.06961	4.5
131.08548	9.1
132.08908	0.6
133.06467	1.5
133.10104	9.3
135.08087	0.5
135.11671	8.0
137.09619	1.8
137.16708	0.5
143.08572	0.5
145.10077	3.8
147.08043	1.7
147.11661	9.6
149.09622	3.7
149.13237	1.7
151.11203	0.6
157.10115	7.7
159.11703	1.5
161.13255	1.9
163.11157	1.1
163.14769	0.7
165.12738	2.0
173.13211	2.1
175.11177	8.7
175.14874	1.0
183.13777	0.6
184.07283	2.8
187.14743	1.0
193.12213	25.8
211.13261	31.6
212.13628	0.5
227.12756	1.0
228.13156	1.0
243.21057	1.6
261.22144	5.7
263.84546	0.5
267.15863	7.0
283.15390	1.1
284.15509	0.5
285.16916	36.0
286.17245	0.8
317.24530	1.4
335.25751	58.9
336.26270	2.9
337.26282	0.6
435.32648	0.9
453.33902	1.5
471.34784	0.9
509.36438	0.6
527.37225	6.5
545.38287	100.0
546.38593	6.9
626.09790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01862	4.0
55.05503	17.3
57.03430	9.8
57.07069	0.9
59.04995	0.7
60.08150	1.9
61.02911	1.3
65.03923	1.6
67.05493	31.7
68.05811	0.7
69.03421	6.6
69.07056	20.6
71.01336	1.7
71.04971	2.4
71.07359	1.2
71.62237	0.7
71.62671	0.6
73.02882	0.7
79.05482	27.7
80.05782	0.6
81.03406	7.2
81.07045	20.7
83.04980	5.8
83.08604	7.3
85.02892	2.2
85.06513	1.7
86.09690	8.1
87.04454	1.6
87.10031	0.8
89.06008	3.2
91.05460	17.0
93.07027	31.0
94.07364	0.6
95.01279	0.7
95.04951	8.0
95.08593	8.7
97.02873	6.5
97.06522	6.4
97.10155	12.2
99.08066	1.0
104.10726	0.7
105.07022	10.3
107.04945	4.3
107.08575	21.8
108.08889	1.0
109.06499	2.5
109.10141	9.0
111.04411	1.4
111.08075	2.4
115.05473	0.7
117.06992	7.3
119.04912	1.5
119.08557	11.5
119.09343	1.1
121.06475	2.8
121.10119	5.7
123.08012	3.3
123.11687	0.5
124.99989	5.5
125.09592	6.0
128.06203	1.1
129.06982	3.2
130.07726	0.9
131.08546	5.1
133.06491	2.5
133.08568	1.7
133.10109	6.4
134.07303	0.7
135.08046	2.6
135.11670	23.3
137.09566	1.7
137.80678	0.7
142.54002	0.7
143.08521	2.9
145.10091	7.1
147.08000	5.3
147.11705	1.3
149.09593	1.3
149.13223	1.5
151.11137	1.0
153.09120	0.9
153.12703	1.2
157.10136	2.2
159.07985	0.7
159.11658	1.1
161.09601	2.1
161.13252	1.4
163.11195	4.4
165.09142	0.9
169.10190	0.6
171.10185	0.7
171.11600	1.1
173.13458	0.5
175.11206	1.6
177.12828	0.7
181.10626	0.6
181.12216	5.5
184.07310	24.8
185.07681	1.6
186.69240	0.6
187.11223	0.8
189.11227	2.9
199.13287	1.0
205.12215	1.3
211.13310	0.8
222.42596	0.6
223.13240	11.5
224.13652	0.7
227.12730	5.4
227.19994	3.5
228.20456	1.0
234.95467	0.6
245.19016	0.9
249.14853	2.4
253.14304	1.6
255.15857	53.0
256.16254	2.3
267.15948	1.7
273.18427	9.8
285.16794	0.9
291.19495	71.9
292.19952	2.8
309.20248	0.7
329.61533	0.6
333.48575	0.6
347.22366	1.4
365.23175	28.6
366.23669	1.6
425.25363	2.2
437.15833	0.6
447.27335	3.2
465.28500	1.8
512.91492	0.6
527.33496	3.2
545.34644	100.0
546.35144	8.2
553.85010	0.6
562.38110	0.7
563.35864	1.1
724.42993	0.7
742.42438	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.0
53.76260	0.0
55.48110	0.0
63.02383	0.1
65.03922	0.9
67.05480	0.0
69.03419	0.3
69.55183	0.3
70.16952	0.0
75.02372	0.1
79.05476	0.1
81.03407	0.3
81.07056	0.1
91.05465	7.9
92.05795	0.1
93.07025	0.1
95.04975	0.1
96.01395	0.0
96.98083	0.0
97.02876	0.1
98.21430	0.1
99.04396	0.1
105.07040	0.1
107.08470	0.0
108.18273	0.0
109.02831	0.1
109.06486	0.1
109.10123	0.1
118.04061	0.1
119.04922	21.1
120.05253	0.3
120.06011	0.1
121.02855	0.1
127.03900	0.2
131.04910	0.1
135.11833	0.0
141.06975	0.1
147.04382	100.0
148.04721	1.4
153.01788	0.1
165.05466	0.2
183.08028	0.1
185.06012	0.0
187.07471	0.1
203.06851	0.0
207.06450	0.3
211.07573	0.1
213.05479	0.1
231.06499	0.2
255.06584	0.2
273.07462	0.2
287.05447	2.3
291.08646	0.4
309.09622	0.1
393.39117	0.0
437.12265	3.2
438.12454	0.1
455.13336	1.2
456.13651	0.1
475.09958	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	742.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83018	0.7
55.01793	5.8
55.02082	0.9
55.05432	12.1
55.05719	1.5
57.03357	10.0
57.03659	1.5
58.02072	0.6
59.04923	0.8
61.02863	1.2
65.03864	1.9
67.05414	20.2
69.03342	4.9
69.06976	6.6
69.36962	6.7
71.04898	5.3
71.05309	1.2
77.03834	0.7
79.05395	23.5
79.05888	2.0
81.03319	44.8
81.03835	3.1
81.06956	21.5
81.07477	1.2
82.03631	0.6
83.04877	7.2
83.08607	16.3
83.09039	1.0
85.02892	3.7
85.06447	2.3
85.32953	0.7
87.04413	0.8
91.05465	18.3
92.05783	0.7
93.07033	20.7
93.07571	1.3
95.04952	23.7
95.08595	10.2
96.96322	0.7
97.02785	2.0
97.06518	5.1
97.10158	14.6
98.20766	1.3
99.04330	1.1
99.08027	0.6
103.05355	1.9
105.07011	15.4
107.04942	18.6
107.05607	1.0
107.08573	14.3
107.71095	0.7
109.02779	1.6
109.06495	15.6
109.10132	7.2
111.04322	2.1
111.08074	6.3
115.05341	2.5
115.59020	0.6
117.07000	6.1
119.04829	2.2
119.08566	11.9
121.06490	14.0
121.10118	13.9
123.04314	2.3
123.08041	6.0
123.11565	2.2
125.05884	1.9
125.09611	16.0
127.03800	1.1
129.05423	0.8
129.06982	8.8
131.04922	3.8
131.06979	0.7
131.08546	13.2
133.06490	3.8
133.10107	7.5
135.04276	0.7
135.08034	7.0
135.11674	3.0
137.05940	4.8
137.09473	1.8
139.11021	2.9
140.10619	0.8
141.06894	1.5
142.07671	1.6
143.08432	2.9
143.10571	0.9
145.06459	7.7
145.10107	5.1
147.04353	5.7
147.08032	4.2
147.11658	7.1
148.04662	0.7
149.05901	1.4
149.09613	5.9
151.03781	0.7
151.07480	1.3
151.10983	0.7
153.01756	0.9
153.09082	3.6
153.12677	0.9
155.08380	1.8
157.06392	1.6
157.08842	0.9
157.10089	7.6
159.07974	1.6
159.11559	2.7
161.05861	1.9
161.09520	2.5
163.07434	1.8
163.11150	5.8
165.09013	1.2
165.12663	1.6
167.07016	6.4
167.08356	1.1
167.10596	2.0
169.09982	2.0
171.07988	1.9
171.10098	1.1
171.11525	2.2
173.05872	1.8
173.09525	2.9
173.11688	1.1
173.13129	3.7
175.07410	1.3
175.11131	8.0
177.12715	1.6
181.04820	2.0
181.09999	1.5
183.08009	0.9
183.11641	1.9
184.07350	0.9
185.09482	1.5
185.11632	1.2
185.13138	1.3
187.07492	0.8
187.11047	1.9
187.14655	0.8
189.09229	1.2
189.11081	7.2
189.12708	1.7
191.06932	1.4
191.10573	1.2
191.14276	3.4
193.08482	0.9
193.12210	16.1
195.07939	0.8
197.13074	1.7
199.11060	1.8
199.13092	1.5
201.12553	1.2
203.14262	0.9
205.08368	1.2
205.12126	1.5
205.15945	0.7
207.06380	1.1
207.17238	0.6
209.11588	1.5
209.13300	0.9
211.09383	1.0
211.11273	1.4
211.13123	5.3
213.09215	0.6
213.12614	1.9
215.14182	2.4
217.12100	0.8
219.13779	10.2
223.11137	1.0
223.13182	1.5
227.12601	2.7
229.14238	1.3
230.49634	0.7
231.13606	1.6
233.15323	4.8
235.13092	1.2
237.12613	1.7
237.14771	1.1
241.14232	0.7
243.13646	0.8
245.15463	0.8
249.14786	1.2
255.13689	2.1
257.15323	1.1
259.13174	1.2
259.15414	7.4
267.15875	44.8
268.16028	1.3
273.14719	5.9
275.16391	1.1
283.15314	2.4
285.16830	2.7
293.17438	5.0
299.14615	1.1
301.16479	1.5
307.09470	1.0
317.15979	1.1
339.23111	1.7
349.21481	3.6
357.24042	1.7
367.22604	12.7
375.25412	0.8
385.23685	20.8
386.23947	1.1
403.24734	7.3
412.34119	0.9
423.25061	0.9
430.35428	1.0
433.25772	2.3
441.26236	8.1
451.26801	6.6
459.27325	98.9
460.27756	5.5
461.28964	1.2
475.26840	0.7
477.28403	100.0
478.28674	6.9
491.30179	9.3
495.29504	7.9
501.28253	3.0
509.30597	3.7
519.29791	0.8
527.28522	2.8
539.31097	0.8
567.29657	2.8
585.30652	1.2
629.88147	0.8
708.19678	0.7
725.25342	1.1
742.40149	1.1
743.27222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.18
Annotation	Kaempferol 3-(3'',6''-di-p-coumarylglucoside)
Peak:m/z	Relative Intensity
55.01869	0.1
55.05501	0.1
57.03419	0.2
59.04990	0.0
61.02901	0.0
63.02351	0.1
65.03918	1.0
65.30917	0.1
67.05498	0.4
68.99804	0.1
69.03417	0.4
69.07038	0.1
71.04987	0.1
71.17099	0.1
79.05480	0.3
81.03404	0.5
81.06608	0.0
81.07034	0.3
82.42863	0.1
83.04976	0.1
83.08599	0.1
85.02902	0.1
85.06525	0.1
87.04440	0.1
91.05465	9.9
92.05802	0.2
93.07059	0.3
95.04961	0.2
95.08581	0.2
95.76147	0.1
97.02866	0.1
97.06487	0.1
97.10129	0.1
99.04468	0.1
105.07047	0.2
106.07350	0.1
107.04960	0.2
107.08568	0.2
109.02856	0.2
109.10155	0.2
111.08091	0.1
118.04136	0.1
119.04922	24.9
119.08574	0.2
120.05238	0.5
121.02873	0.2
121.10149	0.1
127.03877	0.3
129.06935	0.1
131.04877	0.1
131.08543	0.1
133.10117	0.1
135.08005	0.1
135.11739	0.1
137.02243	0.1
141.06944	0.1
145.06577	0.1
145.10133	0.1
147.04384	100.0
148.04713	2.4
149.09521	0.1
151.93784	0.1
153.01801	0.2
157.06474	0.2
157.10162	0.1
158.10283	0.1
165.01833	0.1
165.05516	0.1
165.06892	0.1
169.06435	0.1
175.07504	0.1
175.11128	0.1
183.03015	0.1
183.08008	0.1
185.05960	0.1
187.07491	0.1
193.12251	0.2
207.06496	0.2
211.07407	0.1
211.13277	0.3
213.05481	0.2
227.06903	0.1
229.14388	0.1
231.06561	0.4
255.06491	0.1
258.05417	0.1
267.15802	0.1
273.07477	0.1
285.16721	0.1
286.17377	0.1
287.05450	6.7
288.05884	0.3
291.08527	0.3
303.23126	0.1
309.09763	0.2
329.06479	0.1
437.12253	0.7
438.12665	0.1
439.26758	0.1
455.13235	0.4
456.13644	0.1
542.35913	0.1
543.31244	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.18
Annotation	STENOPALUSTROSIDE A
Peak:m/z	Relative Intensity
53.03933	0.2
55.01866	0.3
55.05502	0.6
57.03432	0.6
61.02908	0.1
65.03928	1.0
67.05497	1.1
69.03412	0.4
69.07054	0.2
71.04982	0.2
73.02899	0.1
79.05482	0.8
80.05831	0.1
81.03408	2.7
81.07050	0.8
82.03754	0.1
83.04971	0.5
83.08607	0.6
84.05319	0.1
85.02901	0.3
85.06551	0.1
91.05470	9.2
92.05782	0.1
93.07047	0.6
94.07366	0.1
94.89626	0.1
95.04966	1.0
95.08582	0.4
97.02882	0.2
97.06535	0.2
97.10161	0.4
98.07278	0.1
103.05406	0.1
105.07017	0.5
107.04947	0.5
107.08582	0.5
109.02869	0.2
109.06510	0.2
109.10118	0.3
111.04424	0.2
111.08076	0.4
112.08392	0.1
115.05468	0.1
115.45697	0.1
116.04701	0.3
117.05496	0.1
117.07005	0.2
119.04928	21.7
119.08569	0.5
120.05245	0.4
121.02810	0.1
121.06498	0.2
121.10138	0.3
123.04455	0.1
123.08096	0.1
123.11678	0.1
125.09610	0.4
127.03886	0.1
129.05481	0.6
129.06999	0.3
131.04900	0.1
131.08559	0.3
133.06479	0.2
133.10106	0.3
135.04399	0.1
135.08087	0.1
135.11659	0.2
137.09543	0.1
142.07767	0.1
143.06987	0.1
145.06456	0.1
145.10149	0.2
147.04390	100.0
148.04723	1.9
148.11891	0.1
149.09618	0.3
153.01747	0.1
153.12709	0.6
157.06519	0.2
157.08615	0.2
157.10121	0.3
163.11197	0.5
165.05525	0.4
165.06784	0.1
165.12852	0.1
173.09590	0.1
173.11722	0.1
175.11165	0.3
176.11475	0.1
181.12213	0.3
182.12589	0.1
185.05957	0.1
187.07593	0.1
189.11159	0.3
191.10632	0.3
191.43710	0.1
193.12202	0.9
194.12566	0.2
199.13232	0.2
200.14015	0.1
203.06934	0.1
207.06499	0.3
209.11720	0.3
211.07536	0.1
211.13332	0.2
213.05466	0.1
213.12558	0.1
219.13852	0.1
227.06996	0.1
227.12766	0.8
228.13100	0.2
229.12354	0.1
229.14357	0.3
231.06416	0.2
247.13205	0.6
248.13544	0.1
255.06429	0.2
265.14105	0.1
267.15891	2.0
268.16187	0.6
273.07489	0.1
283.15402	0.4
284.15668	0.1
287.05460	3.3
291.08636	0.5
301.16400	0.7
302.16678	0.3
309.09537	0.2
321.16931	0.2
391.38187	0.1
409.02039	0.1
437.12274	2.2
438.12482	0.1
455.13287	0.6
475.26617	0.3
476.27457	0.4
493.27930	0.6
494.28275	0.5
526.31769	0.1
615.97266	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01859	4.0
55.05502	8.5
57.03421	3.8
57.07075	1.1
61.02897	0.8
65.03915	2.0
67.05493	23.9
69.03430	1.3
69.07057	12.8
69.33127	2.3
69.33530	7.3
71.04968	1.2
79.05047	1.6
79.05476	20.4
80.21346	0.9
81.03405	6.1
81.07040	35.8
83.04976	4.3
83.08622	5.4
85.02927	1.1
85.06518	2.8
86.09701	2.3
91.05463	23.2
93.07030	25.1
94.07371	1.1
95.01313	1.7
95.04942	5.8
95.08582	15.3
97.02875	1.1
97.06511	9.0
97.10131	1.3
98.20700	1.5
99.08079	1.1
105.07009	28.8
107.04945	6.3
107.08585	13.8
109.06505	2.1
109.10131	5.9
111.04478	0.9
111.08060	2.4
115.05452	0.8
117.06987	8.0
119.08556	15.5
119.09354	1.4
121.06517	1.7
121.10107	6.2
123.04461	1.1
123.08060	1.3
123.11687	2.3
123.79034	0.9
124.99980	1.3
125.09614	0.9
127.72713	0.8
129.06970	1.6
131.08516	10.0
132.09097	1.0
133.10110	19.0
135.07964	2.0
135.11653	7.4
137.09552	0.8
143.08498	2.3
145.10112	7.7
147.11671	6.9
149.09616	2.4
149.13231	4.5
151.11087	1.1
157.10062	2.0
159.11705	4.9
161.13205	2.0
163.11139	3.7
171.11690	1.2
173.13139	1.2
175.14674	1.0
177.12711	2.4
179.14273	4.3
184.07364	5.0
185.07813	1.0
195.13766	3.1
211.13203	1.1
215.14047	0.9
227.12750	3.1
257.19028	1.2
261.22137	0.9
265.14038	0.9
269.17422	23.8
269.20139	1.6
275.20041	19.1
283.15317	6.9
293.20956	0.9
335.25714	7.6
349.23697	9.7
525.35449	2.6
543.36725	100.0
544.37122	4.8
561.37415	1.8
687.41376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01864	5.9
55.05503	7.6
57.03431	4.2
57.07067	0.8
59.04968	0.6
61.02916	0.7
65.03928	1.3
67.05493	23.3
67.78644	0.4
68.05823	0.4
69.03406	1.0
69.07058	15.2
69.58926	2.8
71.04977	1.8
79.05481	15.3
79.89638	0.5
81.03416	3.2
81.07044	32.9
83.04975	3.4
83.08602	6.3
85.02886	1.2
85.06510	1.4
86.09703	0.5
91.04888	0.7
91.05463	19.4
93.07028	24.9
94.07352	0.8
95.01318	3.4
95.04955	3.5
95.08591	14.8
97.02863	0.6
97.06516	13.1
97.10151	1.4
99.08074	1.4
103.05439	0.9
105.07011	26.7
105.19721	0.5
107.04952	5.8
107.08578	11.8
109.06520	1.4
109.10121	3.8
111.04465	0.5
111.08072	1.9
113.09606	1.0
117.06997	6.9
119.08567	13.5
121.06496	1.7
121.10126	7.9
122.10416	0.6
123.08052	1.6
123.11702	1.2
129.06987	1.6
131.08557	9.0
133.06444	0.5
133.10112	16.3
134.10406	0.5
135.08009	1.4
135.11670	5.2
137.09627	1.0
139.07512	0.7
143.08571	1.6
145.06485	0.8
145.10110	7.7
147.04305	0.7
147.11668	5.7
149.09622	2.4
149.13239	8.5
151.11179	1.3
155.08508	0.6
157.10197	1.1
159.11664	7.4
161.09674	0.6
161.13222	2.4
163.11128	2.5
165.09036	0.9
169.10107	1.5
171.11684	1.0
173.13280	1.5
175.14935	0.6
177.12752	2.1
177.38271	0.4
179.14278	4.0
183.11620	1.1
184.07352	1.3
185.13144	0.8
187.11229	1.2
193.12114	0.5
195.13870	2.2
197.13127	0.5
227.12701	1.0
229.19591	0.5
239.18088	0.8
247.20610	1.3
251.16440	1.4
257.18936	2.3
269.17435	26.9
270.17734	1.1
275.20029	25.2
276.20386	0.9
279.15814	1.1
283.15424	1.6
293.21103	0.9
335.25720	2.4
349.23682	12.0
350.24179	0.8
525.35046	0.6
543.36737	100.0
544.37048	6.0
561.37878	1.4
687.40668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.6
54.96358	0.5
55.01864	6.1
55.05500	18.0
57.03143	0.8
57.03428	13.8
57.07054	2.2
59.04980	2.5
60.08134	2.6
61.02916	4.7
65.03910	1.2
65.75188	0.5
67.05495	35.5
69.03403	2.2
69.06725	0.8
69.07059	8.6
69.22627	0.5
69.35549	1.2
69.35960	5.1
71.01327	0.6
71.04981	3.2
71.07356	0.9
71.08598	0.6
72.45059	0.6
73.02907	1.0
79.05479	29.7
81.03408	9.2
81.07044	40.9
83.01328	7.9
83.04966	9.2
83.08604	12.3
85.02898	7.6
85.06502	0.8
86.09694	11.3
87.10017	2.9
91.03931	1.9
91.05463	18.9
92.02950	0.7
92.05780	0.6
93.07027	37.5
95.04958	7.0
95.08590	28.3
97.02876	4.3
97.06516	4.2
97.10168	3.4
98.98434	1.6
99.04428	2.2
99.08078	0.8
104.10720	1.2
105.04532	0.7
105.07011	13.2
107.04928	5.7
107.08579	24.0
109.06496	6.3
109.10135	11.7
111.04406	1.9
111.08049	2.5
117.06998	9.8
119.08564	13.7
121.06454	2.4
121.10123	17.9
121.11004	0.9
123.08060	5.2
123.11683	3.4
124.99986	8.6
125.05962	0.9
125.09602	2.6
127.00406	1.3
129.06970	1.6
130.07771	1.0
131.08528	8.0
133.10118	7.6
135.08028	1.9
135.11670	13.9
137.09610	1.8
137.13225	1.7
139.07556	0.7
139.11214	1.1
143.08528	2.0
145.06494	0.8
145.10089	16.9
147.08031	1.1
147.11688	3.3
149.09668	1.2
149.13237	4.4
153.12723	2.4
155.08533	1.1
157.10144	0.9
159.11652	3.8
161.13255	3.8
162.47545	0.6
163.11154	16.9
163.14761	1.7
169.10109	0.6
171.11618	1.0
173.09596	2.5
173.13216	3.0
175.14743	1.0
177.16478	0.9
181.12184	2.8
183.11658	0.9
184.07312	37.3
185.07663	10.5
185.13181	0.8
186.07755	5.5
187.14790	1.8
189.11180	3.0
191.10651	2.3
193.12257	1.4
197.13184	0.6
201.16354	0.7
206.11456	0.6
209.11725	5.5
211.13136	1.1
227.12729	10.2
243.21077	3.6
259.20621	1.0
261.22073	13.3
267.15964	1.2
283.15356	100.0
284.15732	3.5
299.23627	3.8
315.23117	0.6
317.24765	4.0
333.24234	2.2
335.25739	72.3
336.26205	2.2
392.91940	0.6
433.30875	1.6
451.32373	2.7
469.32986	2.2
487.34058	1.1
515.36877	0.8
517.34363	0.7
525.35730	4.1
543.36713	50.2
544.37244	3.3
561.37720	2.6
690.45880	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	740.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01862	7.9
55.05503	24.0
57.03431	17.3
57.07040	2.4
59.04970	1.9
61.02916	7.5
63.06684	0.7
65.03937	2.9
67.05494	56.3
69.03398	2.8
69.07057	15.2
69.38565	6.4
71.01329	1.1
71.04980	5.3
71.08613	1.3
73.02879	2.2
73.06509	0.5
76.00121	0.6
79.05479	48.1
80.05781	0.8
81.03403	11.7
81.07044	65.1
82.07376	0.8
83.00901	0.8
83.01329	9.4
83.04971	12.0
83.08149	1.1
83.08609	17.6
85.02893	10.7
85.06514	2.0
91.03938	3.5
91.05466	26.1
91.57745	0.6
93.07031	60.4
94.07362	0.7
95.04957	9.5
95.08592	43.5
96.08894	1.0
97.02874	5.3
97.06000	0.6
97.06522	6.6
97.10144	5.1
97.51183	0.6
99.04404	2.5
99.08072	1.6
105.07014	20.3
107.04944	9.4
107.05629	1.2
107.08579	33.4
109.06511	7.8
109.10136	19.2
111.04402	2.3
111.08044	2.8
111.11620	0.7
115.05444	0.8
117.06208	0.9
117.06998	12.1
119.08561	19.8
120.08922	0.8
121.06474	2.7
121.10130	24.9
122.10522	0.7
123.08041	9.4
123.11686	4.7
125.05943	2.0
125.09628	3.4
127.03918	0.8
129.05499	0.8
129.06944	2.2
130.07758	1.7
131.08536	13.5
133.10103	10.2
135.08017	2.2
135.11668	24.3
136.11896	0.6
137.09572	2.4
137.12231	0.6
137.13214	1.3
139.07585	0.7
139.11115	0.8
143.08551	1.4
145.06427	1.2
145.10101	21.0
145.40546	0.6
147.08025	2.1
147.11652	5.7
149.09547	0.7
149.13210	6.3
151.11217	0.9
153.12695	2.9
155.08472	2.3
157.10091	1.2
159.11662	5.8
159.12878	0.8
161.13268	4.8
163.11153	24.3
163.14784	3.5
165.12694	0.7
166.67374	0.6
171.11667	1.4
173.09604	3.4
173.13246	4.7
175.14796	2.5
177.12584	0.8
177.16266	0.8
179.14450	0.8
181.12180	4.8
183.11703	0.9
185.13268	0.7
187.14787	3.1
189.11162	2.7
191.10614	2.9
193.12219	1.0
199.14796	0.8
201.16328	1.7
209.11700	7.3
211.13214	1.3
227.12712	11.3
233.22458	0.8
243.21030	4.0
259.20447	1.5
261.22076	17.9
267.15784	1.2
277.21582	1.0
283.15356	96.4
284.15656	3.7
285.16992	0.8
299.23709	4.8
317.24771	3.4
325.21439	0.7
333.24176	1.6
335.25751	100.0
336.26144	4.2
415.30081	1.0
433.31195	1.5
451.32007	2.6
461.31955	0.7
469.33096	2.4
487.34601	0.8
515.37323	1.0
525.35626	5.1
543.36755	75.7
544.36993	4.6
561.37653	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	740.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	1.3
53.04139	0.4
55.01864	2.3
55.05504	11.1
55.05751	0.5
57.03428	7.5
57.07025	1.1
60.08125	0.9
61.02880	1.2
65.03885	1.4
67.05492	35.3
68.05807	0.4
69.03377	1.4
69.07056	10.8
69.61983	3.1
71.04985	2.3
71.08575	0.5
73.02865	1.1
76.48993	0.5
77.03866	0.7
79.05479	27.7
80.05797	0.5
81.03416	2.3
81.07041	35.0
83.04968	3.4
83.08605	7.6
85.02864	1.2
85.06465	1.2
86.09682	2.6
91.05466	12.7
93.07027	42.6
94.07333	0.6
95.04952	5.6
95.08590	41.2
96.08915	0.5
97.02380	0.3
97.02875	3.6
97.06511	3.6
97.10103	1.7
97.10670	0.4
99.04436	3.0
99.08047	0.5
103.05418	0.5
105.07006	10.4
107.04931	4.5
107.08575	27.8
108.08836	0.5
109.06458	1.3
109.09467	0.7
109.10137	9.7
111.04436	1.2
111.08010	1.7
111.11681	0.5
113.05997	0.6
115.05332	0.5
117.06218	0.4
117.06998	7.7
119.08561	10.7
121.06476	4.2
121.10118	15.2
123.08008	1.3
123.11688	2.3
124.99939	2.1
125.05935	1.5
129.06964	0.8
130.07744	1.5
131.08534	4.8
133.10115	5.4
135.08047	2.1
135.11668	35.2
136.11908	0.7
137.09537	0.5
137.13255	1.0
139.07472	0.7
139.11115	0.7
140.56183	0.4
143.08476	0.8
145.06454	0.5
145.10097	20.8
147.07982	0.5
147.11655	3.1
149.13274	3.0
153.12672	0.8
157.10054	0.5
159.11710	1.9
161.13229	1.8
163.11150	39.3
163.14754	1.2
164.11449	0.9
171.11639	0.7
173.13243	2.3
175.14722	0.5
177.16307	0.6
181.12204	7.1
184.07314	11.7
185.07571	0.6
187.14760	1.0
208.66403	0.4
209.11705	1.5
227.12744	44.0
228.13089	1.4
243.21010	1.8
261.22086	7.2
283.15344	55.6
284.15640	1.5
317.24719	1.8
335.25742	100.0
336.26111	4.0
390.73795	0.5
469.32956	0.6
543.36725	85.1
544.37097	5.6
561.38043	0.5
740.46881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76004	0.4
53.03923	1.0
55.01857	1.8
55.05506	6.2
55.42157	0.4
57.03428	4.4
57.07048	0.5
59.04976	2.1
61.02913	0.9
65.03912	0.5
66.13470	0.4
67.05492	22.0
68.05828	0.6
68.24089	0.4
69.03409	1.6
69.07057	4.6
71.04981	9.2
71.62439	0.6
73.62084	0.4
79.05051	0.7
79.05480	10.9
80.86375	0.4
81.03403	16.5
81.07041	32.6
82.07359	0.7
83.04967	3.0
83.08601	6.6
85.02886	1.8
85.06532	3.7
87.04451	2.1
91.05460	12.8
91.06002	0.8
92.86784	0.4
93.06461	0.7
93.07025	10.2
94.07366	0.5
95.04948	10.4
95.08581	7.4
97.02876	1.4
97.06509	3.7
97.10152	3.6
99.04436	1.5
99.08066	1.1
101.05991	0.5
105.07007	9.7
106.07349	0.5
107.04939	6.0
107.08569	7.6
108.05276	0.5
109.06507	5.9
109.10139	8.1
111.04440	0.8
111.08072	2.3
113.06012	0.5
115.05466	0.8
117.07004	2.7
119.04912	1.2
119.07765	0.7
119.08559	7.2
119.09342	0.6
121.06470	5.3
121.10114	5.5
122.10442	0.5
123.04402	0.5
123.08037	2.0
123.11682	5.7
125.09608	3.4
127.03891	0.6
129.06989	3.4
131.04965	1.0
131.08533	7.2
133.06473	2.1
133.10110	7.8
135.08051	2.5
135.11662	2.0
137.05956	0.7
137.09639	1.3
141.06908	0.4
142.07733	0.6
143.08580	1.1
145.06488	1.5
145.10089	2.8
147.04337	3.9
147.08040	1.6
147.11659	7.3
149.09610	2.6
149.13231	1.8
151.07462	0.4
151.11142	3.3
155.08543	0.6
157.10092	3.3
159.08063	0.9
159.11674	2.0
161.09564	1.0
161.13197	0.5
163.11128	2.2
165.12750	2.2
169.10178	1.0
169.12238	0.6
171.08047	0.6
171.11633	1.0
173.09583	0.7
173.11726	1.3
173.13254	2.1
175.11183	2.0
177.12721	1.5
179.14291	0.4
183.11699	1.0
183.13739	0.9
184.07272	0.6
185.09627	0.6
185.13298	0.7
187.11198	0.8
187.13258	1.4
187.89319	0.4
189.09352	0.5
189.11078	1.8
191.14294	2.1
193.12167	4.0
195.11676	0.4
195.13828	0.5
197.13177	0.7
199.14832	0.8
201.12732	0.6
203.14281	0.9
203.23137	0.4
205.12206	0.8
209.13316	0.5
217.15944	0.8
219.13727	2.7
221.15283	0.8
223.13101	0.5
223.75053	0.4
225.14926	0.4
227.12772	0.7
229.14270	4.8
233.15193	0.5
242.61676	0.4
249.14796	1.2
257.15201	0.5
257.17572	0.7
259.17050	0.5
267.09070	0.4
267.15848	13.7
268.16245	0.6
269.17386	2.0
273.18521	0.6
275.16437	1.5
275.20013	0.9
285.16873	4.6
301.20047	3.4
315.23187	0.9
325.21640	0.9
341.25058	0.5
343.22647	4.9
351.22980	0.7
353.24768	0.5
361.23746	0.7
369.24277	1.8
371.25793	0.9
387.25305	1.3
407.25482	0.9
417.26279	3.0
425.26862	1.1
435.27328	12.8
436.27585	1.0
439.26773	7.4
443.27884	7.1
461.28903	100.0
462.29135	6.8
475.31110	2.0
477.28467	0.8
479.30063	0.8
485.27673	0.7
493.31717	4.3
511.29166	0.7
543.30518	0.7
569.30243	0.4
587.31836	0.7
601.33844	0.5
605.33423	0.6
637.35742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01863	7.4
55.05502	32.2
57.03429	23.3
58.91838	0.7
59.04992	28.9
61.02912	3.4
65.03922	4.0
67.05492	81.3
67.23888	0.7
69.03415	7.6
69.07053	10.3
69.42855	3.0
69.43276	5.3
71.01332	0.9
71.04981	16.8
73.02895	2.2
77.03893	1.1
79.05480	35.1
81.03405	60.3
81.07040	40.9
83.04967	21.1
83.08606	30.2
83.09098	1.4
85.02409	1.6
85.02888	21.1
85.06529	5.0
87.04456	38.4
91.03945	1.7
91.05466	46.1
93.07025	27.0
95.04957	28.6
95.08590	17.3
97.02874	8.1
97.06519	6.8
97.10156	17.4
99.04436	16.3
99.08062	1.9
105.07012	27.0
106.07347	1.2
107.04943	11.8
107.08582	14.5
109.02837	1.1
109.06492	6.8
109.10140	57.4
111.04414	6.6
111.08051	10.7
113.05965	2.5
115.03923	1.3
115.05440	2.4
117.07000	4.2
119.04924	20.5
119.08566	26.4
121.02866	1.2
121.06484	4.2
121.10123	14.6
123.04404	1.3
123.08067	3.7
123.11723	2.1
125.05973	1.7
125.09608	11.8
127.03899	1.6
127.07500	1.5
129.05470	1.6
129.06982	14.2
131.04918	1.3
131.08543	14.0
133.06483	3.6
133.10085	11.9
135.08064	1.7
135.11679	6.9
137.05962	1.6
137.09605	4.8
142.07755	3.5
143.10677	1.1
145.08583	4.3
145.10106	6.6
147.04384	100.0
147.08025	4.1
147.11661	14.7
149.09566	6.7
149.13199	1.0
151.11180	2.1
153.09160	0.8
153.12752	5.8
155.08598	1.2
155.10638	2.3
157.10106	15.6
157.12181	1.1
159.11652	1.4
163.11172	8.6
165.12772	3.8
173.04485	1.5
173.09566	1.6
173.10075	1.3
173.11716	19.1
173.13107	1.3
175.11171	15.6
176.11467	1.0
177.12651	1.6
181.12233	4.4
189.11227	2.0
191.10638	4.2
193.12209	49.2
194.12610	2.1
199.13295	9.9
209.11742	3.0
211.13255	67.7
212.13608	2.1
217.14307	1.8
223.13205	1.8
227.12764	11.4
229.14316	62.2
230.14627	1.8
233.07903	1.8
235.13261	0.9
241.14314	4.9
247.13275	1.8
249.14842	2.0
257.13678	0.9
265.14218	2.0
267.15866	38.7
268.16183	1.2
269.17422	1.2
276.20001	1.0
283.15314	7.7
285.16910	48.1
286.17307	2.5
287.05508	5.8
295.15405	1.3
313.16486	1.8
315.17914	7.6
350.24203	1.3
383.22202	1.7
391.24554	1.1
401.23193	2.0
409.25699	5.3
419.23807	1.0
421.25821	20.4
427.26883	6.6
437.12527	1.6
439.26840	86.3
440.27148	2.8
455.13232	1.2
457.25653	2.8
461.28876	3.4
467.26196	1.2
475.26883	10.6
476.27939	0.9
479.29453	1.6
493.27942	4.7
507.29370	2.5
511.29025	1.4
525.30444	7.8
543.31750	5.4
560.36652	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01854	1.3
55.05504	2.5
57.03431	2.0
59.04993	0.2
60.43954	0.1
61.02907	0.2
63.22732	0.1
65.03918	1.0
67.05494	3.6
68.93283	0.1
69.03428	0.9
69.03751	0.2
69.07068	1.0
71.01339	0.2
71.04974	0.7
73.02908	0.4
79.05480	2.8
81.03406	8.6
81.07045	2.7
82.04202	0.2
82.37411	0.2
83.04973	1.8
83.08609	2.2
85.02878	0.5
85.06531	0.4
90.10528	0.1
91.05466	11.4
93.07035	2.2
95.04956	3.2
95.08581	1.3
97.02900	0.7
97.05944	0.2
97.06468	0.7
97.10154	1.2
98.07306	0.5
98.21582	0.3
99.04420	0.2
105.07012	1.9
107.04948	1.4
107.08578	1.4
109.02853	0.2
109.06483	0.7
109.10146	1.5
111.04434	1.1
111.08074	1.0
115.05471	0.2
116.04697	1.0
117.05529	0.2
117.06999	0.7
119.04926	24.0
119.08564	1.9
121.02850	0.5
121.06493	0.6
121.10133	1.1
123.04467	0.2
123.08069	0.6
125.09602	1.5
127.03936	0.2
127.07506	0.2
129.05466	2.9
129.06958	1.2
131.04889	0.2
131.08551	1.4
133.06512	0.4
133.10117	0.8
135.04390	0.3
135.08060	0.4
135.11676	1.0
137.09596	0.2
142.07806	0.2
143.06999	0.4
145.06448	0.2
145.08904	0.2
145.10112	1.1
147.04387	100.0
147.11647	1.1
149.09601	0.6
153.08966	0.2
153.12744	1.4
155.08524	0.2
157.06540	0.3
157.08575	1.2
157.09933	1.2
159.08086	0.2
163.11150	1.5
165.05432	0.4
165.06891	0.2
165.12769	0.2
171.10197	0.4
173.09599	0.3
173.11726	0.4
175.11147	1.0
181.12193	1.6
183.11679	0.3
185.05890	0.2
189.11217	1.4
191.10661	0.8
193.12227	3.1
199.13268	0.3
201.12706	0.4
201.14827	0.2
207.06427	0.4
209.11656	1.0
211.07567	0.2
211.13329	0.8
219.13777	0.5
221.13242	0.1
227.12756	3.6
229.14275	1.4
231.06528	0.4
231.13681	0.3
247.13243	2.7
249.14792	0.5
255.06534	0.3
255.15997	0.2
259.93640	0.1
265.14185	0.2
267.15881	7.4
268.16205	0.3
273.07526	0.2
283.15387	2.1
285.16913	0.2
287.02570	0.3
287.05466	3.5
291.08679	0.5
301.13312	0.2
301.16428	3.2
320.63861	0.2
321.16904	1.0
336.06329	0.2
338.27997	0.2
339.17780	0.3
383.22083	0.4
401.23163	0.2
409.25406	0.2
425.59818	0.2
437.12241	2.4
439.26721	0.2
451.09570	0.2
455.13013	0.7
458.26569	0.4
459.27362	0.2
475.26999	1.6
476.27545	0.3
493.21152	0.2
493.27881	3.0
525.30231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.2
55.01859	11.8
55.05502	30.3
56.94039	1.6
57.03430	16.9
57.07066	2.2
58.23144	1.6
58.93304	1.7
59.04981	2.5
61.02899	5.8
65.03909	3.0
67.05491	68.1
69.03416	19.7
69.07050	23.8
71.04980	13.2
73.02904	4.9
79.05482	58.0
81.03405	100.0
81.07043	95.5
83.04967	30.9
83.08132	2.1
83.08605	25.0
85.02885	31.6
85.06515	4.8
88.95973	1.6
91.03925	4.2
91.05469	77.9
93.07029	57.5
95.04955	37.9
95.08590	38.8
97.02879	19.6
97.06503	13.3
97.10176	10.0
99.04434	8.1
99.08074	4.8
105.07012	62.6
107.04929	18.7
107.08568	32.3
109.02874	9.9
109.06503	14.5
109.10131	23.0
111.04424	8.2
111.08067	16.5
113.06019	2.5
115.05464	3.1
117.06999	15.4
119.04974	2.1
119.08563	47.2
121.06500	8.6
121.10136	25.6
123.04404	2.3
123.08071	9.5
123.11691	7.4
123.71497	1.6
125.09596	4.9
127.03886	7.9
127.07533	3.8
128.06203	2.1
129.05479	3.9
129.06960	16.3
129.07578	1.5
131.04906	2.6
131.08539	28.0
133.06471	5.4
133.10120	41.4
135.08015	6.6
135.11667	8.4
137.09541	4.1
141.06956	2.1
142.07773	4.0
142.62726	1.8
143.08530	6.7
145.06421	2.9
145.10094	16.2
147.08043	5.1
147.11661	28.3
148.06860	1.7
149.09604	13.8
149.13226	8.1
151.11188	10.0
151.12248	1.8
155.08562	4.2
157.10120	17.2
159.08096	2.0
159.11711	10.4
161.09596	4.0
161.13286	3.3
163.11137	8.6
165.09088	2.7
165.12700	5.6
169.10080	4.8
170.69049	1.9
171.11629	5.2
173.04434	10.0
173.09644	2.6
173.13232	5.2
175.11165	17.6
177.12729	3.9
179.14214	2.0
183.11609	2.2
184.07347	2.0
187.11153	2.1
189.12691	2.5
193.10403	2.9
193.12186	42.1
195.13823	3.9
197.13258	2.5
211.13251	57.6
227.12743	6.3
229.14253	4.1
229.19487	2.2
239.17932	3.2
247.20532	1.9
249.14769	2.3
253.14348	12.7
257.18869	6.8
267.15866	35.0
267.50494	1.9
269.17361	8.7
275.20001	43.0
285.16910	55.1
291.19293	2.5
293.21057	5.3
299.19882	2.1
301.14294	2.7
331.22610	3.1
339.17963	2.8
349.23727	31.0
367.24777	6.7
385.67044	2.3
413.21439	7.9
429.20929	6.8
443.27628	2.6
449.29706	3.5
461.28928	17.7
479.29947	38.4
481.27695	2.2
523.33301	2.5
541.35248	17.5
559.36145	38.9
577.37128	20.7
605.32928	5.0
623.34180	22.1
703.40045	4.6
721.41608	9.3
739.34528	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.0
55.01861	31.4
55.05264	3.1
55.05503	42.4
57.03429	22.9
59.04977	3.2
61.02916	16.3
65.03928	7.7
66.91848	1.6
67.05495	79.5
69.03073	1.9
69.03418	22.9
69.07056	29.8
69.55279	2.2
69.55682	14.4
71.04968	13.4
73.02902	5.0
79.05483	82.6
81.03407	74.3
81.07044	100.0
82.07411	1.9
83.04969	32.1
83.08602	31.4
85.02415	2.9
85.02895	40.3
85.06508	5.8
87.04471	2.6
91.03930	5.3
91.05467	84.6
92.05776	2.5
93.07033	69.7
93.07622	4.3
95.04948	39.0
95.08596	43.3
96.95516	2.1
97.02884	18.5
97.06516	41.0
97.10159	23.0
99.04427	5.0
99.08081	7.5
103.03944	2.1
103.05454	2.9
105.07017	74.4
106.07357	2.2
107.04947	30.7
107.08578	56.8
109.02859	6.9
109.06498	12.5
109.10133	24.6
111.04434	6.0
111.08073	14.1
113.06011	2.7
115.05437	5.2
117.07003	23.8
119.08568	59.0
121.06475	9.2
121.10121	31.2
123.08046	11.1
123.11699	10.0
125.08717	2.8
125.09584	18.9
125.32771	2.0
127.03905	7.6
127.07567	3.8
128.06187	2.6
129.05484	3.0
129.07007	18.8
130.07689	2.3
131.08554	30.2
133.06516	5.8
133.10109	37.8
135.08051	10.3
135.11671	11.1
136.21017	2.1
137.09575	8.0
137.13293	2.4
139.07532	2.0
141.06973	4.0
142.07770	5.4
143.08562	10.9
145.06523	3.7
145.10097	24.3
147.04353	1.9
147.08005	6.8
147.11674	37.9
149.09604	33.8
149.13232	8.0
151.11121	5.3
153.05499	2.6
153.09061	2.5
155.08540	4.4
157.10115	20.6
159.08029	2.2
159.11682	16.1
161.01465	1.7
161.09621	3.3
161.13210	7.3
163.11165	11.7
163.14790	2.1
165.12732	7.0
165.71164	2.3
169.10130	4.8
171.10318	2.2
171.11700	6.0
173.04430	4.6
173.11778	3.7
173.13219	9.1
175.11163	19.0
177.12759	4.3
179.14229	2.3
183.11673	6.0
184.07356	2.1
185.13184	2.6
187.11147	2.0
189.11192	10.9
193.12201	50.1
195.11562	3.0
195.13792	2.3
197.13196	5.7
211.13248	72.2
213.16263	2.1
227.12730	41.0
229.14288	3.7
229.19406	4.8
239.17929	5.0
245.13748	2.5
247.20490	2.6
257.18948	15.1
267.15897	35.9
269.17490	5.5
273.18536	4.3
275.20032	80.7
276.20572	2.6
283.15463	4.3
285.16925	59.1
291.19565	2.7
293.21039	5.9
299.20032	2.9
349.23672	66.8
363.21790	2.4
367.24878	2.5
381.22586	4.0
387.25217	2.2
429.21173	4.3
435.27231	2.6
437.25128	5.9
443.28043	3.2
445.29538	3.9
455.26270	6.3
461.29065	10.0
463.30270	7.9
467.31100	2.2
479.29996	16.9
511.29709	2.2
541.34998	27.9
559.36169	65.5
560.36267	3.4
577.37335	36.1
605.33295	3.0
623.33887	11.5
667.38519	3.3
703.39417	6.9
721.41071	7.1
725.70599	2.4
739.43500	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	738.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01852	2.4
55.05500	15.4
57.03432	7.5
57.07047	2.2
64.83195	1.1
65.03915	2.5
67.05495	49.0
69.03413	2.3
69.07058	12.8
69.54377	7.7
69.54788	2.4
71.04971	2.8
73.02908	1.2
74.37840	1.0
79.05479	57.8
81.03411	6.4
81.07043	50.9
83.04976	10.8
83.08601	6.2
85.06547	2.5
91.05464	39.3
93.07029	65.7
95.04955	14.0
95.08591	36.9
97.02870	1.2
97.06532	4.4
97.10117	2.6
99.08067	1.5
100.79824	1.4
103.05455	1.3
105.04512	2.3
105.07010	26.7
107.04916	4.9
107.08569	24.2
109.06522	3.4
109.10139	10.8
111.08053	2.2
114.54446	1.3
115.05434	1.7
117.07009	7.0
119.08564	19.8
121.06519	3.0
121.10133	11.0
123.08047	4.5
123.11697	1.8
125.09672	1.3
129.07007	9.2
131.07695	1.3
131.08517	6.0
133.10110	10.9
135.11668	6.3
143.08549	6.3
145.10081	8.2
147.08009	2.4
147.11658	22.6
149.13264	3.0
159.11694	3.3
161.09613	2.4
161.13214	7.0
164.53162	1.2
171.11649	16.0
173.13167	1.4
184.07269	2.2
189.12723	5.5
207.13805	15.4
243.21176	1.8
245.88612	1.1
261.22083	4.3
279.16000	3.0
281.17426	61.5
282.17746	1.5
317.24609	1.3
335.25769	49.0
336.25970	2.5
393.26163	1.2
428.14685	1.1
449.34125	1.2
479.56387	1.3
541.38794	100.0
542.38977	5.5
559.39661	2.7
739.40607	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.4
53.03912	2.4
53.38242	0.5
55.01859	4.4
55.05504	15.0
57.03429	12.1
59.04961	2.0
61.02895	1.5
65.03896	1.2
67.05494	18.6
68.13700	0.6
69.03429	4.4
69.07060	3.7
70.93444	1.5
71.01318	2.4
71.04984	3.1
73.02887	1.3
79.05483	16.4
81.03406	69.1
81.07044	22.6
82.03722	1.0
83.04961	6.8
83.08608	22.5
85.02904	3.0
85.06530	2.9
90.55647	0.6
91.03914	0.6
91.05466	26.5
92.05769	1.1
93.03384	0.9
93.06477	1.1
93.07028	17.6
95.04955	21.9
95.08059	0.6
95.08597	8.7
97.02385	0.6
97.02883	7.1
97.06533	4.1
97.10162	6.2
99.00177	1.0
99.00798	13.6
99.04434	1.2
99.08055	1.3
103.05440	1.3
105.07018	22.9
106.07314	0.7
107.04933	12.5
107.08580	11.0
109.02097	0.8
109.02855	11.7
109.06521	6.0
109.10130	6.7
111.04422	3.7
111.08063	10.0
113.05980	1.5
115.03881	1.5
115.05408	1.8
117.06982	4.2
119.04910	1.7
119.08564	18.1
121.06489	9.6
121.10124	6.1
123.04406	2.7
123.08054	3.7
123.11659	2.6
125.02295	0.7
125.09595	4.4
127.03892	3.7
127.07529	0.6
128.06152	1.9
129.06990	7.5
131.08549	9.6
133.06490	3.9
133.10114	33.2
135.04401	0.7
135.08002	1.8
135.11690	3.0
137.06006	2.9
137.09557	2.7
139.07463	2.5
142.07726	2.0
143.08556	6.0
144.26122	0.7
145.06453	2.3
145.10127	2.9
147.04349	2.6
147.08000	3.3
147.11679	8.2
149.09595	4.2
151.03877	0.6
151.11160	10.9
153.09128	1.2
155.08528	0.8
157.10101	8.8
159.08017	1.3
159.11592	0.7
161.05946	1.6
161.09599	19.7
163.07616	0.9
163.11133	3.3
165.09065	0.9
165.12717	2.9
167.06972	1.0
169.09973	0.7
171.08032	5.3
171.10124	1.0
173.05888	0.6
173.13188	0.7
175.11168	8.1
177.09082	0.8
179.10655	10.9
184.07268	0.9
187.11183	0.8
189.09068	11.8
189.11125	3.2
193.12213	22.4
194.12540	0.7
197.11678	2.9
205.12100	0.7
207.10205	4.0
209.11626	1.0
211.13205	5.2
213.12720	0.8
219.13770	7.8
223.13222	1.2
225.11151	10.4
227.12656	4.5
243.12230	2.2
246.52177	0.6
249.14899	1.8
263.12836	1.3
267.15875	91.7
268.16187	2.3
273.14789	1.2
275.20160	0.8
281.13843	6.7
283.15408	1.2
285.16934	4.1
299.14853	71.7
300.15140	1.5
309.16864	0.7
364.94861	0.6
371.22232	1.5
381.20831	1.0
389.23135	2.0
399.21521	1.8
407.24103	0.8
417.22894	2.0
445.25775	9.5
455.24396	1.8
459.27322	4.6
463.26816	8.0
473.25272	29.5
473.72748	0.6
474.25851	1.2
477.28342	4.0
487.31143	0.7
491.26340	100.0
492.26660	5.8
509.27267	8.0
523.28711	1.2
528.35602	0.6
533.27423	2.6
617.29626	0.9
635.30841	0.9
653.31592	0.9
703.41986	0.7
738.37695	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.4
55.01862	22.2
55.05499	37.7
57.03424	20.4
57.07072	4.0
59.04985	1.9
61.02903	2.5
65.03925	5.2
66.39496	1.6
67.05493	88.3
69.03416	30.2
69.06714	2.5
69.07056	31.9
71.01340	4.3
71.04989	12.4
71.06766	3.1
71.07153	4.6
71.70331	1.8
73.02903	5.3
77.03899	2.7
79.05052	3.4
79.05482	54.1
79.48690	1.7
80.06285	1.9
81.03404	100.0
81.07044	72.8
83.04976	23.0
83.08606	27.8
85.02896	24.3
85.06526	5.9
87.04420	1.7
91.05466	57.8
93.07026	55.8
93.83154	1.8
95.04948	41.3
95.08598	42.7
95.09174	1.6
97.02877	24.9
97.06509	19.4
97.10166	14.2
99.04444	9.1
99.08068	3.7
101.02420	2.2
103.03920	2.4
103.05440	2.2
105.07017	44.2
107.04938	18.0
107.08572	32.5
109.02859	18.1
109.06519	14.2
109.10144	30.7
111.04408	12.8
111.08088	10.4
112.64178	1.5
112.89461	1.5
113.05996	4.0
113.09652	1.6
115.05440	3.8
117.07000	14.3
119.04938	4.0
119.08561	42.2
121.06480	10.5
121.10107	21.0
123.04418	3.6
123.08054	17.9
123.11671	9.2
125.06007	2.0
125.09614	14.5
127.03910	14.3
128.06219	4.6
129.05447	5.3
129.06998	17.4
131.04874	2.5
131.08548	24.9
133.06474	7.1
133.10100	27.4
135.08025	9.5
135.11671	10.9
137.05891	2.5
137.09618	10.1
139.11180	3.1
141.07001	2.4
141.09059	2.7
142.07779	2.5
143.03404	1.7
143.08583	10.3
145.06465	4.9
145.10101	16.8
145.31204	1.9
147.04326	3.1
147.08008	11.7
147.11681	21.4
148.03908	1.6
149.05991	2.0
149.09579	20.4
149.13235	5.0
151.11143	5.9
153.09064	2.9
155.08559	4.6
157.04961	2.1
157.06432	3.0
157.08806	2.7
157.10081	14.9
159.08061	4.3
159.11703	9.2
161.09622	9.0
161.13220	4.7
163.11136	9.3
165.09114	4.5
165.12738	5.3
169.10199	5.0
171.08093	3.0
171.11681	6.4
173.04413	9.1
173.09583	6.3
173.11705	5.2
173.13141	3.2
175.11136	13.7
175.14790	1.9
177.12730	4.1
179.10677	2.5
181.09969	1.8
181.12340	2.6
183.11722	2.3
185.09665	1.8
185.13234	2.4
187.11150	5.1
189.11172	5.1
189.12692	3.5
191.10713	6.0
191.14163	2.0
193.12218	32.8
195.11707	2.1
195.13707	2.4
199.11296	2.5
205.12172	2.7
205.17563	2.3
209.11705	4.2
211.11305	3.1
211.13248	33.3
212.13762	2.4
223.13255	2.2
227.12651	10.2
229.14250	11.2
231.13918	2.0
241.14389	2.2
243.15845	5.4
245.18935	3.3
249.14825	3.5
249.23164	1.7
251.37444	2.2
253.14162	1.9
257.18903	3.2
263.20087	2.0
267.15875	22.1
269.17557	4.1
273.18484	20.8
275.19962	18.0
281.13776	3.0
283.15335	5.0
285.16873	19.5
291.19464	27.8
329.21075	3.9
337.16235	3.1
347.22147	6.8
349.23709	7.3
355.17245	2.0
365.23141	15.1
405.27362	1.9
411.20120	3.1
421.25888	3.5
429.21167	6.1
435.27673	2.4
439.26794	9.0
447.27991	1.8
453.28699	4.7
459.27249	2.8
461.29407	2.7
509.27118	2.7
525.35883	2.3
539.33313	5.5
541.34833	2.5
543.37018	2.6
557.34564	27.2
558.34674	2.5
575.35516	24.0
583.30176	2.1
593.36786	2.4
701.37964	7.1
719.39899	15.2
720.40094	2.8
737.40839	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	737.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01865	9.4
55.05503	41.1
55.65821	1.0
57.03170	1.8
57.03430	16.3
57.03700	2.0
57.07067	1.7
59.04995	3.1
61.02920	12.6
65.03939	3.7
67.05495	63.9
68.05842	1.8
69.03423	14.2
69.07061	20.2
71.04980	9.2
71.62431	1.2
71.62834	1.9
71.78342	1.0
73.02905	5.3
77.03907	1.6
79.05481	63.9
80.05841	1.3
81.03407	53.0
81.07047	74.6
82.07386	1.7
83.04974	17.6
83.08609	26.8
85.02893	30.7
85.06537	5.6
87.10412	1.1
88.06569	1.1
91.03940	4.3
91.05468	100.0
92.05771	1.2
93.07032	54.7
95.04964	29.9
95.08594	41.2
96.08913	1.3
97.02885	11.8
97.06532	14.8
97.10158	13.2
99.04433	2.9
99.08062	3.0
103.05463	4.3
105.03432	1.5
105.04579	1.3
105.07017	79.3
106.07336	1.9
107.04939	13.4
107.08582	30.4
109.02847	3.8
109.06510	21.0
109.10135	12.1
111.04440	3.3
111.08059	16.5
113.06005	2.1
115.05428	8.7
116.06252	3.5
117.07008	45.3
119.04920	2.5
119.08565	55.4
120.08855	2.1
121.06499	9.5
121.10129	16.9
123.08055	15.7
123.11699	3.2
125.06001	1.3
125.09605	9.6
125.23708	1.1
127.03888	4.2
127.07613	1.4
128.06197	22.6
129.05481	3.1
129.06992	35.3
130.07809	11.1
131.04889	2.3
131.08551	88.4
132.08966	1.3
133.06470	14.1
133.10117	30.2
135.08044	8.9
135.11661	8.8
137.06003	2.6
137.09602	5.7
139.07458	1.3
139.11168	2.8
141.06979	13.0
141.09087	2.6
142.07767	8.7
143.08542	91.4
144.09161	1.9
145.06465	5.4
145.10104	88.7
146.10481	1.8
147.04433	2.3
147.08040	18.0
147.11662	20.7
149.05890	1.1
149.09592	16.4
149.13251	4.1
150.10008	1.0
151.07559	4.3
151.11168	3.8
153.06970	2.4
153.12708	1.1
154.07791	2.4
155.08530	10.4
156.09348	1.7
157.06480	1.1
157.10109	35.9
159.08044	8.1
159.11662	29.2
161.09607	19.9
161.13278	2.8
163.11148	11.3
165.07088	2.7
165.09064	1.4
165.12762	3.0
166.07887	2.5
167.08566	5.1
169.10110	18.5
170.10570	1.3
171.08009	2.4
171.11668	19.5
173.04445	3.9
173.09622	6.9
173.11835	1.5
173.13263	4.5
175.11169	25.7
177.09090	1.8
177.12755	9.9
180.09390	4.1
181.10097	17.2
181.12088	1.6
182.10873	1.4
183.11659	11.0
185.09604	3.1
185.13254	8.3
187.11140	5.2
187.14749	1.9
189.09085	1.4
189.11169	1.4
189.12756	3.0
191.10611	1.4
193.10341	2.3
193.12222	38.1
195.11659	20.6
197.13264	4.5
199.11212	4.2
199.13091	1.1
199.14870	3.0
201.12755	4.5
207.11693	1.6
209.11597	2.6
209.13287	3.8
211.13245	54.0
213.12807	6.2
213.16393	2.1
215.12692	2.0
217.15898	2.0
222.14056	1.4
227.12779	3.8
227.17870	9.0
229.14359	1.5
231.13881	1.7
237.16351	26.2
241.14375	3.6
245.18983	5.3
253.16086	1.1
255.17390	38.6
257.18887	2.3
267.15860	34.5
268.16193	1.7
269.17508	3.1
271.16751	2.0
273.18454	99.3
274.18976	1.8
275.19968	7.5
278.66821	1.2
282.17062	1.3
283.15427	2.5
285.16916	82.4
286.17322	1.9
291.19479	6.2
311.20084	1.3
329.21030	8.8
347.22131	57.3
348.22412	1.6
349.23602	3.3
381.20618	1.5
425.25122	1.4
447.29025	2.7
465.29669	1.5
477.28452	3.5
511.33844	1.3
521.32440	2.2
539.33588	26.6
540.34100	2.0
557.34692	60.8
558.34918	3.8
575.35614	9.6
719.39685	2.8
737.40515	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	737.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	10.0
55.01659	1.7
55.01863	20.1
55.05503	56.1
57.03435	19.9
57.07046	3.4
59.04991	2.3
61.02906	7.3
65.03913	6.5
67.05495	83.9
67.86123	1.8
69.03072	2.7
69.03419	36.0
69.06714	3.1
69.07056	37.7
71.01335	3.6
71.04981	12.4
73.02899	4.6
79.05484	76.8
81.03407	100.0
81.07047	88.0
82.07365	2.4
83.01295	3.5
83.04966	33.9
83.08606	40.0
85.02428	2.0
85.02897	26.7
85.06527	4.7
90.40665	2.1
91.05466	72.7
93.07027	63.6
93.07612	3.4
94.07381	3.1
95.01314	2.4
95.04958	38.6
95.08595	39.9
96.76464	1.9
97.02280	2.2
97.02880	26.7
97.06515	20.7
97.10152	31.3
99.04439	7.4
99.08051	5.9
103.03951	3.0
105.07014	57.8
107.04940	24.7
107.08575	40.4
109.02872	17.7
109.06497	15.2
109.10136	24.0
111.04424	15.0
111.08053	18.0
113.05979	3.1
115.05425	2.6
117.07005	23.7
119.04932	2.8
119.08561	49.5
121.06496	13.1
121.10125	22.7
123.04417	4.5
123.08068	17.0
123.11681	7.9
125.05975	2.3
125.09615	25.1
127.03902	16.4
128.06212	5.1
129.05449	5.6
129.06978	21.5
130.07721	2.4
131.04881	3.7
131.08537	32.9
133.06488	10.5
133.10107	30.3
134.10365	2.1
135.04352	2.6
135.08035	13.9
135.11687	11.9
137.09634	9.3
139.11195	2.6
141.06940	3.7
141.92429	1.8
142.07733	3.4
143.08540	12.5
145.06464	5.5
145.10115	26.9
147.08014	13.5
147.11661	27.2
149.09613	15.6
149.13240	5.3
151.11122	4.7
152.53783	1.7
153.09027	3.2
153.12726	4.8
155.08524	5.3
155.31879	2.0
157.06532	2.3
157.10123	19.5
159.08055	4.0
159.11685	14.2
161.09586	8.2
161.13203	4.0
163.11147	18.7
165.09082	5.2
165.12709	3.7
169.10056	5.7
171.08009	3.3
171.10239	3.0
171.11647	6.2
173.04413	6.5
173.09581	6.8
173.11781	2.3
173.13251	4.6
175.11133	17.8
177.12753	3.6
179.14304	3.3
181.12198	3.7
183.10182	2.1
183.11714	4.5
185.09506	3.2
185.13252	4.1
187.11168	4.5
189.11205	18.0
189.12695	4.4
191.10590	6.0
193.12210	35.1
197.13145	2.7
201.12685	3.6
205.12192	4.3
209.11618	4.1
210.87418	1.8
211.13263	42.1
219.13754	2.0
223.13185	10.7
227.10529	2.1
227.12733	35.4
227.17865	3.1
229.14285	4.2
229.25104	2.1
231.13713	2.6
245.18843	3.3
249.14922	6.8
255.17441	2.4
257.18900	3.3
265.14557	2.4
267.15829	25.3
269.17365	4.6
273.18454	32.7
275.20038	21.7
283.15347	15.6
285.16919	18.7
289.17700	2.4
291.19476	84.4
292.19800	3.3
301.14279	4.9
313.21429	3.3
331.22672	2.7
347.22180	9.1
349.23672	13.2
355.17538	2.7
365.23206	31.3
373.30801	1.9
374.11115	2.0
385.23846	2.4
393.19095	3.0
409.97818	2.1
411.19641	2.6
424.27579	2.4
429.21057	9.7
435.23563	2.8
437.25198	2.2
459.27316	6.0
461.28882	3.3
465.29562	4.0
477.28278	7.3
483.30713	2.0
493.28232	3.1
495.29367	4.0
509.27094	2.5
528.37878	3.4
539.33496	10.7
540.31927	3.2
547.35638	2.4
557.34595	50.6
575.35681	51.8
576.36072	2.8
621.32330	4.0
639.33185	6.4
646.37720	2.0
683.37555	3.9
701.38782	6.6
719.39917	33.4
737.40649	16.4
758.96625	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18841	0.8
53.03933	1.2
53.74782	0.9
55.01860	8.3
55.05267	1.1
55.05502	12.3
57.03187	1.2
57.03431	13.6
57.07067	25.2
61.02905	4.3
66.93204	0.8
67.05163	1.2
67.05493	16.2
69.03395	3.9
69.07056	7.8
70.10622	3.2
70.11065	1.5
71.04988	1.4
71.08622	19.1
73.02898	2.9
79.05115	0.9
79.05481	9.2
81.03400	7.8
81.07045	15.0
82.04175	3.6
83.04963	6.7
83.08595	9.6
85.02869	3.1
85.06525	1.2
85.10175	10.2
86.09689	1.3
86.49628	1.0
89.06022	1.3
91.03925	1.2
91.05463	6.8
93.07026	6.7
95.04955	5.8
95.08591	13.8
97.02873	2.9
97.06504	3.8
97.10160	11.7
98.07286	3.4
98.20863	1.1
103.07565	0.9
105.07004	3.7
107.04927	2.5
107.08601	4.3
109.06506	1.1
109.10122	7.6
111.04465	0.9
111.08044	2.0
111.11716	1.3
116.04694	9.5
117.06945	1.3
119.08562	4.4
121.10130	1.8
123.08035	2.3
123.11698	2.8
125.09625	8.9
126.10370	1.1
129.05461	23.4
129.06943	1.0
131.08563	2.6
133.10092	2.7
135.08012	2.3
135.11673	2.1
143.07008	6.0
145.10057	1.4
147.11646	2.5
149.09579	1.0
157.08563	9.9
157.09985	2.2
158.05743	1.6
163.11124	1.4
165.16289	1.0
171.06490	1.1
171.10153	3.2
175.11194	1.9
184.07309	3.2
185.11678	1.2
189.11162	3.9
193.12186	2.3
199.13252	3.6
200.14032	1.3
209.11752	1.9
210.12537	1.5
224.52641	0.8
227.12746	7.6
239.23601	3.4
255.16013	1.0
257.24667	1.0
267.15836	4.3
269.17294	1.0
283.15366	2.8
301.16412	100.0
302.16766	1.7
308.39877	0.9
311.22006	1.3
313.27313	67.8
314.27637	2.7
324.94498	0.9
349.48230	0.9
367.28436	2.3
395.31201	1.5
438.36874	1.8
465.68790	0.9
505.38828	4.8
507.95786	0.9
521.38104	1.7
522.38916	1.3
539.39337	64.1
540.39532	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	734.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05503	9.4
57.03424	10.2
57.07066	28.7
65.03936	0.9
66.35557	0.9
67.05494	17.2
69.03419	1.8
69.07057	9.7
69.82327	0.8
71.01331	1.1
71.04982	2.8
71.08619	24.5
71.63205	1.2
71.63587	1.0
79.05481	11.1
81.03404	31.3
81.07038	25.0
83.04958	9.4
83.08601	19.0
85.02413	1.4
85.02886	15.5
85.06503	2.1
85.10169	11.9
86.09657	2.1
89.06008	1.5
91.05468	15.7
93.07027	8.3
95.01296	2.7
95.04954	12.1
95.08594	19.6
97.02861	2.6
97.06523	2.5
97.10148	5.5
99.08034	0.9
99.11722	1.4
105.07024	11.6
105.83839	1.0
107.04942	4.3
107.08587	3.0
109.06503	2.1
109.10136	8.6
111.08054	4.8
113.02367	1.0
115.05415	1.0
117.07043	1.0
119.08553	10.3
121.06506	1.4
121.10121	3.6
123.08047	0.9
123.10918	0.9
123.11646	5.1
124.99979	1.7
129.06982	6.8
131.08569	6.1
133.06494	1.6
133.10083	7.5
137.13223	1.0
141.01819	2.8
147.08034	1.0
147.11650	8.1
149.09602	3.3
157.10088	8.7
165.12740	1.0
175.11160	7.5
181.36423	1.0
184.07350	6.6
193.12213	23.1
211.13264	28.0
219.96489	0.9
239.23659	3.1
257.24857	2.6
267.15884	14.2
274.31525	1.0
281.13818	1.8
285.16910	36.6
313.27313	78.0
314.27753	1.9
338.02438	0.9
383.39395	0.9
415.26852	1.4
505.38803	22.5
523.39856	100.0
524.39911	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	734.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01866	5.7
55.05502	17.7
56.05037	0.7
57.03429	10.7
57.07067	2.3
59.04990	4.5
61.02922	4.8
65.03928	3.6
67.05495	100.0
68.05018	0.8
68.05816	1.1
68.08914	0.5
69.03423	5.8
69.07059	29.9
69.44807	5.5
71.04980	5.6
73.02911	1.6
73.54342	0.6
79.05484	21.8
81.03404	7.4
81.07044	34.4
83.04954	4.0
83.08606	11.2
85.02885	6.2
85.06542	2.2
91.03953	2.3
91.05465	24.4
92.05793	0.6
93.07027	22.3
95.04968	5.7
95.08594	21.7
97.02873	4.5
97.06518	8.0
97.10158	6.3
99.04446	1.2
99.08074	1.6
101.68367	0.7
103.05469	0.8
104.36153	0.6
105.04501	0.8
105.07014	14.9
107.04950	5.7
107.08574	12.5
107.09259	0.7
109.02880	2.0
109.06511	2.6
109.10139	76.7
110.10495	1.9
111.04432	1.3
111.08058	5.7
113.09615	0.7
115.05452	0.7
116.04774	0.6
117.07009	5.3
119.08562	17.1
121.06506	2.6
121.10133	5.5
123.08068	3.0
123.11716	1.1
125.09609	4.9
127.03921	2.3
129.05487	1.7
129.06999	3.2
131.08549	7.8
133.10120	10.6
135.08063	2.5
135.11681	4.5
137.09596	11.8
137.13300	0.7
139.11107	0.6
141.07018	1.2
142.07816	0.8
143.07317	0.6
143.08549	1.9
145.06499	0.7
145.10104	6.1
147.08109	1.3
147.11676	4.4
149.09579	11.0
149.13243	1.3
151.11172	1.4
155.08510	1.4
155.10634	4.0
157.08813	0.8
157.10104	2.9
159.08086	0.7
159.11650	4.4
161.09673	1.7
161.13263	2.8
162.28482	0.6
163.11163	3.8
165.09154	1.0
165.12746	0.8
167.10695	0.6
169.10136	0.8
171.10243	1.0
171.11667	2.1
173.04495	1.4
173.11723	24.4
173.13200	1.5
175.11192	1.5
177.12770	1.7
179.14337	2.1
189.11244	1.6
193.12257	0.7
194.41475	0.6
197.13249	0.7
199.13231	1.4
201.12805	0.7
223.13338	0.8
227.12726	3.9
229.14322	51.2
230.14691	1.3
239.17967	1.4
243.15744	0.9
247.20580	1.4
255.15755	0.7
257.14032	0.7
257.19092	3.3
263.20270	0.7
267.16022	1.4
273.18600	2.4
274.18677	0.8
275.20010	12.1
283.37064	0.6
291.19424	4.4
293.21140	1.5
299.14944	0.7
321.24271	0.7
325.20032	6.0
331.22833	1.0
349.23666	18.5
365.23328	2.0
371.24399	1.0
373.18808	1.3
383.24237	21.8
383.29077	1.1
384.24588	0.7
397.25922	2.5
407.27948	5.7
409.25912	1.8
421.25839	0.9
423.27673	1.3
451.26669	0.8
489.35449	1.0
503.33652	28.1
504.34247	1.5
519.33209	1.1
521.34644	6.3
543.37036	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.1
55.01862	0.2
55.05500	0.1
55.45877	0.1
57.03423	0.4
61.02907	0.2
62.35274	0.1
62.60048	0.1
64.40060	0.1
64.82943	0.1
67.05471	0.1
69.03422	0.7
69.41384	0.2
69.41789	1.0
71.04987	2.0
75.24948	0.1
77.69749	0.1
78.04696	0.7
79.05464	0.6
81.03403	0.2
83.04977	0.4
83.05462	0.1
84.40710	0.1
85.02415	0.3
85.02895	2.9
91.05479	0.3
93.07024	0.2
95.04951	0.4
97.02854	0.3
103.05478	0.2
105.07005	0.7
106.04177	0.4
107.04941	1.0
111.04476	0.2
115.05462	0.3
116.59412	0.1
117.06961	0.2
119.04902	0.2
121.06486	0.8
122.03623	0.2
123.04420	1.9
124.05195	0.8
125.05939	0.1
127.03873	0.1
129.05469	0.5
133.06473	0.8
134.03578	0.3
137.05963	0.5
145.06490	0.4
147.04414	0.2
147.06386	0.2
149.05965	0.9
151.03911	0.4
151.07526	0.1
152.04651	1.0
153.05467	0.4
161.05960	0.8
163.07480	0.2
165.05365	0.2
165.09007	0.2
167.07019	100.0
168.07364	1.6
173.05989	0.3
175.07532	0.3
177.05452	0.3
179.07079	0.6
181.08568	1.9
187.07631	0.2
191.07060	0.2
193.08575	5.3
194.08960	0.1
199.09645	0.2
203.06892	0.2
205.08559	0.8
207.10118	0.2
209.08018	0.3
211.09630	29.5
212.09947	0.4
217.08699	0.1
219.06442	0.2
219.10193	0.2
223.09633	0.8
235.09653	0.5
265.10742	0.6
273.11090	0.2
291.12274	0.5
303.12286	0.4
309.13239	0.4
311.23596	0.1
321.13278	0.5
327.14783	0.1
403.17422	0.3
409.18457	1.1
410.87909	0.1
419.16660	0.2
433.18527	0.4
475.19647	1.1
501.20844	0.3
519.22119	0.2
523.68060	0.2
644.39026	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	732.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.3
56.05013	7.3
57.07070	9.4
60.04519	100.0
64.66933	1.8
67.05495	19.7
69.07060	19.2
69.35532	3.9
69.35851	19.0
70.06586	2.8
71.08618	4.1
72.04497	8.2
74.06068	3.9
79.05476	13.2
81.03391	3.5
81.07040	23.7
82.06553	4.4
83.08606	13.2
85.10162	3.1
86.06046	3.8
90.05524	5.6
91.05486	12.9
93.07034	12.5
94.06541	6.0
95.04948	3.1
95.07336	3.7
95.08585	18.9
96.08112	3.7
97.10146	7.2
98.06028	3.0
99.93944	1.9
105.06989	8.1
107.08559	9.3
108.08097	2.9
109.10126	8.2
112.62133	1.7
113.06925	1.7
119.08569	9.9
121.10131	7.9
122.09627	3.2
123.08068	1.9
123.11699	2.7
133.10097	8.1
135.11664	5.1
142.25708	2.2
147.11649	4.1
149.13226	2.4
161.13319	2.1
208.04175	2.0
221.23241	1.8
245.22597	3.1
250.25296	4.2
262.25259	39.6
263.23618	5.0
266.24789	2.4
272.25873	5.0
280.26321	30.6
298.27457	9.1
314.26663	2.3
316.28232	2.3
516.47363	5.3
524.07483	2.0
525.87958	2.5
534.48792	14.6
552.49805	97.0
553.50024	4.6
570.42456	2.5
570.50903	46.7
603.45764	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96611	1.1
55.05502	2.6
55.90410	1.1
57.03420	1.9
57.07060	0.9
61.02923	7.5
61.03193	1.3
67.05505	7.5
69.03423	3.9
69.07054	3.1
69.47408	5.3
69.47839	4.2
73.02920	5.6
79.05489	3.5
81.03422	2.4
81.07052	10.6
83.05010	1.1
85.02904	5.8
91.03963	4.7
91.05477	2.6
93.07053	6.7
95.04969	1.0
95.08596	6.1
97.02881	6.3
98.20795	1.8
99.04446	1.1
101.02382	2.3
105.07029	2.0
107.08573	2.6
109.02909	1.5
109.10152	1.2
121.10143	2.8
122.94662	1.1
127.03916	2.9
131.08595	2.0
133.10123	1.1
135.11644	1.2
144.47427	1.1
149.13269	2.5
184.07364	1.9
193.12198	1.0
203.94774	1.0
206.05145	1.0
220.33342	0.9
235.13016	2.0
243.08363	3.1
276.00949	1.1
313.27353	1.3
335.25934	1.2
419.18918	1.0
453.20880	5.7
519.29285	9.3
607.41602	1.3
731.43323	100.0
732.43854	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	729.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19509	0.3
53.03935	0.7
55.01873	0.5
55.05516	1.4
57.03427	1.9
59.04996	0.7
61.02915	3.8
67.05504	3.3
69.03089	0.4
69.03416	2.3
69.07063	1.5
70.05559	0.5
70.05956	1.4
71.01359	0.3
71.04985	1.4
73.02909	2.7
74.22216	0.3
79.05477	3.3
80.05844	0.3
83.04549	0.3
83.04966	1.5
83.08596	1.4
83.10623	0.3
85.02889	5.3
85.03362	0.5
85.06535	0.7
87.04459	0.5
91.03958	2.3
91.05460	3.9
93.07031	3.2
95.04948	3.0
95.08589	2.2
97.02881	4.2
97.06541	0.6
97.10165	0.4
98.20761	0.3
99.04435	1.0
101.02367	1.4
103.03934	0.4
103.05481	0.3
105.07018	3.3
107.04966	1.2
107.08573	2.3
109.02870	1.0
109.06524	0.6
109.10152	0.9
111.08092	1.1
115.05442	0.5
117.07014	0.9
119.04933	0.3
119.08561	2.6
121.06499	0.6
121.10130	2.1
123.04443	0.3
123.08046	0.5
123.11674	0.3
125.06035	0.3
127.03899	1.6
128.06186	0.3
129.07002	1.4
131.04863	0.5
131.08519	2.5
133.06468	0.3
133.10115	1.6
135.11667	0.9
137.05972	1.9
137.09695	0.3
142.07748	0.4
145.06526	0.4
145.10149	0.9
147.04430	0.5
147.08083	0.7
147.11682	1.9
149.09599	1.7
149.13298	0.5
151.03952	0.5
157.10124	2.2
159.11699	0.7
161.13344	0.4
163.11195	0.5
167.07048	1.2
171.11815	0.4
173.13275	0.5
175.07472	0.4
175.11169	1.3
177.12743	0.3
179.07007	0.3
181.05043	0.5
181.08800	0.4
184.07396	0.5
185.04303	0.3
189.09137	0.4
189.16467	0.3
193.08630	0.4
193.12221	2.4
197.15413	0.3
201.07492	0.3
201.16397	0.3
203.07167	0.4
211.13367	0.9
233.11717	0.3
234.28014	0.3
243.08473	2.1
251.12546	1.0
267.15906	1.0
269.12521	0.3
283.06445	1.1
283.15115	3.5
307.15063	0.3
308.26947	0.3
339.17880	0.7
469.20422	9.7
470.20578	0.4
501.23016	11.0
549.29431	0.3
567.31482	0.6
729.36554	100.0
730.36975	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	728.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01852	1.4
55.05264	1.5
55.05501	17.3
57.03431	12.1
57.07051	6.3
61.02903	2.1
67.05493	67.7
69.07053	23.8
70.62669	1.4
71.04980	3.4
71.06347	1.4
71.08617	4.9
71.36106	2.7
79.05475	23.1
81.03405	2.7
81.07043	70.2
83.04948	5.0
83.08607	13.2
85.02889	3.0
85.06523	4.2
85.10184	2.6
86.09690	4.1
91.03932	1.7
91.05465	13.2
93.07023	39.3
94.49049	1.3
95.04965	2.3
95.08589	34.6
96.08898	1.5
97.06494	6.6
97.10152	4.0
99.08080	2.0
105.06995	5.2
107.07941	2.3
107.08579	22.1
109.06522	1.8
109.10149	15.9
111.08063	5.1
117.06989	4.3
119.08569	4.5
121.10124	18.5
123.08027	1.5
123.11671	5.3
125.00008	1.8
125.52327	1.4
131.08543	5.0
133.10091	8.4
135.11656	5.4
137.13228	1.7
147.11667	4.3
149.13219	17.9
159.11623	7.1
161.13333	1.9
163.14857	1.5
164.41524	1.4
173.11676	3.1
177.12668	2.9
184.07301	12.4
195.13824	7.3
229.14310	8.7
245.22467	2.2
263.23535	2.5
269.17432	76.4
269.80756	1.6
312.05594	1.8
313.27243	6.8
315.90579	1.4
337.27316	48.7
367.36884	1.3
467.37170	7.4
531.40369	100.0
532.40778	3.4
599.50067	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.7
53.03925	8.4
55.01875	4.0
55.05506	25.5
57.03431	25.2
57.07058	3.2
60.08147	4.0
61.02906	2.6
65.03930	3.6
67.05499	90.4
69.03419	4.0
69.07063	25.8
70.21815	7.2
71.01347	5.1
71.04971	7.2
79.05484	75.8
81.03416	9.1
81.07045	66.3
83.04955	12.1
83.08607	10.1
85.02857	3.9
85.06533	6.4
86.09701	18.1
91.05470	74.2
93.07032	92.8
95.04959	12.8
95.08589	36.9
97.06518	16.3
97.10152	12.3
98.98456	1.9
99.08083	4.3
103.05449	1.4
105.07018	66.9
107.04944	4.6
107.08584	61.7
109.06513	4.5
109.10143	25.5
110.15436	1.6
111.08073	3.5
116.86648	1.6
117.06993	22.1
119.08566	64.0
120.08881	1.8
121.06492	4.6
121.10134	25.4
123.08076	2.7
123.11664	2.9
124.99989	12.5
125.09620	4.5
128.06189	1.8
129.06982	10.7
130.07703	1.9
131.08556	26.6
133.10115	51.3
135.08046	4.9
135.11673	70.2
137.09586	4.8
140.96867	1.5
141.06941	1.7
143.08531	10.8
145.10115	29.4
147.11667	45.6
149.09618	4.8
149.13243	12.7
151.11137	3.9
155.08551	2.2
157.10091	11.7
159.11673	16.3
161.09532	1.8
161.13232	29.9
163.11191	12.3
163.14821	3.3
165.12779	1.7
169.10086	4.0
171.11646	15.4
173.11821	2.6
173.13142	9.6
175.11140	3.4
175.14818	15.2
179.14207	2.2
181.12204	12.2
183.11684	3.8
184.07307	57.7
185.07607	2.1
185.13264	10.5
187.14815	3.1
195.11646	1.7
197.13322	2.0
199.14816	6.7
213.16388	2.5
227.12628	1.7
231.21024	6.9
241.19479	29.6
253.14363	12.8
255.15881	100.0
256.16132	2.4
257.19351	1.8
258.45389	1.9
259.20541	89.0
260.20993	3.3
261.22070	3.6
269.17398	3.6
273.18375	2.0
275.20111	8.1
291.19724	2.5
293.15619	1.8
315.23083	5.5
331.22684	1.9
333.24191	46.2
333.99478	1.7
334.24600	2.5
349.23700	3.9
367.24991	1.7
385.23322	1.6
403.30142	3.0
421.31183	7.8
439.32031	4.8
459.32108	1.5
477.33856	1.8
495.34311	4.1
513.35718	82.8
514.35803	4.5
531.29639	2.1
531.36780	25.1
532.37354	2.5
543.36884	1.9
728.44366	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	728.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01854	4.0
55.05502	8.7
57.03426	6.7
57.07065	1.3
60.08145	2.1
61.02901	2.4
64.00540	0.9
65.03939	0.9
67.05493	42.5
69.03412	2.5
69.07057	11.6
71.04980	3.6
71.07342	1.5
71.63105	1.4
73.02898	1.1
79.05479	19.6
81.03409	2.5
81.07043	40.1
81.32233	0.8
83.04973	4.8
83.08599	4.1
85.02885	2.4
85.06528	3.5
86.09687	8.2
91.05470	25.6
93.07028	24.7
95.04939	3.9
95.08590	18.4
97.06525	3.0
97.10128	0.9
103.38362	1.2
105.06293	1.0
105.07010	27.5
107.08577	24.4
109.06509	3.2
109.10139	37.7
113.06007	1.5
114.95751	0.8
115.65395	1.0
117.07003	3.6
119.08562	5.7
121.10123	8.3
123.07979	1.1
123.11698	9.5
124.99976	5.3
125.09618	1.1
127.07507	2.4
131.08534	6.1
133.10106	47.1
134.10490	0.9
135.11652	4.2
143.08540	1.2
145.10075	2.7
147.11653	1.7
149.09583	1.1
149.13281	1.8
151.11165	22.7
159.11693	1.8
161.09648	1.0
161.13239	2.1
163.11095	1.2
169.12245	4.7
173.13261	2.4
177.16365	1.1
184.07318	27.2
209.28772	1.1
215.12724	2.4
243.21043	2.1
253.14311	100.0
254.14641	2.5
261.22113	11.2
271.15341	25.8
312.48218	1.0
317.24780	1.2
335.25745	45.7
336.25995	1.7
432.80249	1.0
457.33008	2.3
473.94333	1.0
513.35718	6.4
531.36755	48.8
532.37115	3.3
657.53918	1.1
669.36877	1.1
728.45056	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01857	5.5
55.05497	7.7
57.03432	5.1
57.07050	1.9
61.02889	2.2
67.05495	36.1
69.03411	2.4
69.07054	12.1
71.04976	3.1
71.62806	1.4
73.02881	1.1
79.05051	1.4
79.05482	17.3
81.03397	3.8
81.07045	36.0
83.04982	5.5
83.08608	4.2
85.02901	1.8
85.06526	2.2
85.54379	1.0
86.09711	5.3
86.10148	0.9
91.03890	1.2
91.05473	25.0
93.06463	1.7
93.07027	20.8
95.04935	3.4
95.08598	15.8
97.02872	1.7
97.06504	2.4
97.10156	2.1
99.04417	1.3
101.53510	0.9
105.07022	19.9
107.04958	1.2
107.08580	23.8
109.06529	2.7
109.10140	37.8
110.10465	1.2
111.08066	1.2
113.06042	2.3
117.07002	2.6
119.08554	4.3
121.10129	7.7
123.11694	8.7
125.00004	2.1
127.07566	2.7
131.08527	3.5
133.10115	44.8
135.11671	5.3
141.62851	1.1
145.10101	1.7
147.11708	2.3
149.13249	3.0
151.11156	25.4
159.11650	2.9
161.13243	1.8
163.14783	1.1
169.12199	5.4
173.13234	1.7
177.16341	1.0
184.07310	16.0
187.14757	1.7
203.30186	1.3
215.12730	2.6
243.21046	3.3
253.14319	100.0
254.14691	1.9
261.22034	12.0
267.76257	1.1
271.15363	30.1
272.15909	1.3
315.23187	1.0
335.25760	29.1
336.26340	1.1
513.35486	12.3
531.36761	36.8
532.37042	2.5
669.36780	1.1
729.41022	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	728.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00652	0.1
55.05497	0.2
56.05026	0.6
57.03423	0.1
58.06620	0.5
58.56956	0.1
59.07384	0.1
60.08156	6.1
67.05492	0.6
69.07031	0.2
69.86586	0.2
69.87001	0.2
70.06583	0.1
71.07364	2.6
71.08655	0.1
71.59579	0.1
72.86181	0.1
73.45578	0.1
79.05499	0.4
80.97438	0.1
81.03387	0.1
81.07056	0.6
83.04943	0.1
83.08618	0.1
86.09694	30.1
87.10027	0.1
89.56933	0.1
91.05453	0.3
93.07027	0.4
95.04951	0.1
95.08580	0.3
98.20844	0.1
98.98454	2.8
104.10730	2.0
105.07030	0.2
107.08577	0.3
109.06498	0.1
109.10155	0.4
113.52873	0.1
116.99500	0.1
119.08580	0.1
121.10140	0.1
124.99986	20.5
133.10083	0.2
133.42035	0.1
143.01051	0.3
151.11183	0.1
166.02646	0.3
184.07314	100.0
185.07678	0.6
202.70746	0.1
248.71614	0.1
253.14362	0.2
267.15808	0.1
271.15463	0.2
289.03049	0.1
335.25735	0.1
466.21790	0.3
468.37473	0.2
502.33167	0.1
531.37030	0.3
545.38824	0.1
595.01892	0.1
728.44867	5.4
729.44843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69307	0.1
53.31227	0.1
55.05489	0.1
56.05042	0.5
58.06613	0.4
59.07387	0.2
60.08155	5.9
60.97221	0.1
67.05477	0.2
69.07037	0.1
69.29667	0.8
70.06579	0.1
71.06966	0.1
71.07362	2.9
79.05484	0.2
81.07028	0.3
86.09693	29.5
87.10037	0.2
91.05464	0.2
93.07026	0.2
95.04929	0.1
95.08585	0.1
98.20650	0.2
98.98448	2.8
104.10719	2.0
105.07015	0.2
107.08573	0.2
121.10140	0.1
124.99985	20.5
131.08521	0.1
133.10115	0.1
143.01024	0.3
166.02623	0.1
184.07314	100.0
185.07664	0.6
255.16008	0.1
422.01260	0.1
440.81073	0.1
468.23190	0.1
500.31049	0.1
531.35822	0.1
666.81531	0.1
728.44879	5.9
729.44751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50118	0.1
54.65683	0.1
55.05485	0.1
56.05025	0.7
58.06298	0.2
58.06614	0.5
59.07370	0.2
60.08154	6.0
65.81981	0.1
67.05474	0.3
70.06556	0.1
71.07363	3.1
74.82298	0.1
79.05489	0.3
81.03410	0.1
81.07032	0.3
83.04944	0.1
85.02929	0.1
86.09692	30.5
87.10000	0.2
91.05453	0.3
93.07042	0.3
95.08586	0.2
98.98444	2.8
104.10726	2.2
104.21914	0.1
105.07018	0.2
116.99512	0.1
119.08591	0.1
121.10185	0.1
124.99982	20.0
143.01038	0.3
156.02798	0.1
166.02669	0.3
184.07309	100.0
185.07706	0.6
303.04980	0.2
304.05533	0.2
490.60751	0.1
518.32355	0.1
531.36438	0.1
545.38263	0.1
710.43140	0.1
728.44836	8.0
729.44879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01858	1.4
55.05502	18.0
57.03146	0.7
57.03427	13.3
57.07065	2.9
57.80391	0.6
61.02917	6.2
65.03924	2.2
67.05492	77.7
67.35070	0.6
68.05809	0.8
69.03416	2.3
69.07056	21.9
69.40709	6.2
70.07361	0.8
71.04972	5.0
71.08627	0.7
73.02899	1.3
77.03910	0.9
79.05476	45.4
81.03399	2.6
81.07041	86.6
82.07372	0.9
83.04974	4.5
83.08605	15.0
85.02888	6.7
85.06544	4.1
91.03931	3.3
91.05465	26.1
93.07026	61.7
94.07357	1.3
94.81916	0.7
95.04942	6.4
95.08587	42.6
96.08950	1.0
97.02877	2.1
97.06517	6.6
97.10145	3.1
98.20766	1.3
99.04417	0.7
99.08071	1.1
105.07008	14.9
107.08576	34.6
109.06501	2.2
109.10136	16.5
111.08043	3.6
117.06996	7.6
119.08559	10.0
121.06454	1.6
121.10121	22.4
122.24870	0.6
123.08055	1.5
123.11694	9.1
125.09608	0.9
129.07021	0.8
131.08546	11.4
133.09096	1.0
133.10101	16.1
133.11070	1.2
135.08080	1.4
135.11664	16.8
137.09622	0.7
137.13228	1.5
143.08565	0.9
145.10103	6.1
147.11638	5.2
149.09586	0.8
149.13231	16.0
149.14351	1.2
151.11160	1.6
157.10124	0.9
159.11667	10.6
161.13237	2.7
163.14830	1.8
167.14381	0.8
169.10092	0.6
173.13216	4.3
175.14809	1.4
177.12708	3.4
184.07204	0.7
187.14804	1.5
195.13759	11.0
201.16339	1.2
213.14879	2.2
243.21046	2.9
259.20660	0.7
261.22095	9.6
267.15891	1.5
269.17426	74.5
270.17740	4.0
276.82425	0.6
288.06393	0.7
299.23743	0.7
317.24686	1.8
335.25735	98.5
336.26080	6.7
437.34158	2.7
455.35257	1.0
473.36319	1.4
511.37851	0.8
529.38794	100.0
530.39264	10.8
547.39661	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	726.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39447	0.6
53.03909	2.0
55.01836	1.6
55.05503	10.2
55.16570	0.5
57.03428	10.7
57.07036	2.2
61.02889	2.4
65.03891	1.9
67.05494	54.0
68.05810	0.8
69.03396	1.7
69.07056	16.4
69.41756	2.0
69.42177	3.5
71.04980	3.3
73.02889	1.3
79.05480	32.8
81.03383	0.8
81.07043	64.1
82.07354	1.4
83.04962	4.8
83.08126	0.8
83.08596	9.9
85.02882	3.0
85.06526	3.3
86.09655	0.6
91.03922	1.0
91.05466	15.1
93.07027	49.0
94.07337	0.7
95.04949	4.1
95.08590	30.0
96.08910	0.8
97.02843	1.7
97.06014	0.6
97.06511	9.2
97.10114	1.8
99.08038	2.6
105.04482	0.7
105.07017	9.3
107.08578	26.8
108.08884	0.8
109.06480	2.2
109.10142	9.2
111.08057	4.8
113.09563	0.6
117.07001	6.2
119.08540	6.0
121.09320	1.0
121.10128	18.2
122.10400	0.9
123.07981	1.2
123.11692	3.3
125.09545	0.6
131.08559	9.6
133.10120	7.5
135.07954	0.9
135.11670	10.6
137.13156	0.6
139.11165	1.4
145.10107	3.3
147.11655	3.1
149.09573	0.9
149.13228	20.6
151.11142	1.1
157.10056	0.8
158.71661	0.6
159.11662	10.2
160.35497	0.7
161.13211	2.5
163.14790	1.9
165.12604	0.6
171.11673	0.7
173.13211	2.1
177.12682	3.3
184.07262	0.9
187.14755	1.7
195.13802	8.3
201.16295	0.8
202.56523	0.6
213.14696	1.1
243.21127	2.3
261.22073	8.9
262.22559	0.6
267.15854	2.0
269.17429	84.6
270.17883	3.2
288.75275	0.5
316.61002	0.5
317.24762	2.1
333.24112	0.9
335.25748	54.0
336.26099	3.1
437.34094	2.1
473.36603	0.6
511.37021	0.8
529.38818	100.0
530.39154	10.1
547.39880	2.1
560.33472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.1
55.05492	0.1
56.05032	0.6
57.03415	0.1
58.06591	0.3
59.07360	0.2
59.93748	0.1
60.08154	6.2
67.05509	0.6
68.83963	0.1
69.07049	0.3
69.42575	1.3
69.91908	0.1
70.06577	0.2
71.06975	0.2
71.07364	3.2
77.40752	0.1
79.05473	0.4
81.03415	0.2
81.07028	0.5
83.04956	0.2
83.08598	0.1
86.09692	30.2
87.10019	0.2
89.06011	0.1
91.05436	0.4
93.07021	0.4
95.08629	0.3
97.06524	0.1
98.98447	2.6
104.10724	1.9
105.07030	0.3
107.08583	0.3
109.10168	0.3
119.08523	0.2
121.10139	0.2
123.08083	0.1
124.99985	20.0
125.09610	0.1
131.08452	0.2
133.10095	0.2
135.11615	0.2
143.01010	0.4
147.11705	0.2
166.02628	0.2
170.43077	0.1
184.07310	100.0
185.07661	0.9
186.07834	0.1
230.54466	0.2
466.22101	0.2
544.60382	0.1
557.34625	0.2
597.77380	0.1
630.30707	0.1
726.43274	5.0
727.43353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
53.11951	1.9
55.01848	7.3
55.05498	27.9
57.03423	23.5
57.07053	3.2
59.04974	2.3
61.02916	28.1
65.03914	3.8
67.05492	77.1
68.05808	2.0
69.03415	18.6
69.07052	32.3
69.88137	10.9
71.01326	2.8
71.04637	1.5
71.04974	13.9
73.02892	14.7
79.05473	63.8
81.03404	27.8
81.07040	100.0
82.07348	3.0
83.04974	16.5
83.08588	20.6
85.02888	48.1
85.06519	8.9
86.44576	2.0
88.12954	2.2
91.03470	2.4
91.03945	26.0
91.05458	59.4
92.05814	2.8
93.07024	93.2
95.04947	18.3
95.08585	46.5
97.02867	23.8
97.06518	19.4
97.10138	7.3
99.04449	4.5
99.08067	5.3
103.03880	2.2
103.05422	2.4
105.07007	54.1
107.04927	6.9
107.08571	54.6
109.02821	5.5
109.06483	9.1
109.10133	20.4
110.10456	3.2
111.04425	4.7
111.08051	8.2
113.09618	2.9
115.03905	2.8
117.06995	21.8
119.08555	42.1
120.08913	1.9
121.06469	8.4
121.10124	34.3
122.10395	1.9
123.08019	6.9
123.11658	8.6
125.05962	2.1
125.09605	6.6
127.03864	19.1
129.05409	5.7
129.06963	13.2
131.08521	28.5
133.06468	2.5
133.10107	41.7
134.10435	2.7
135.07999	6.0
135.11659	30.6
137.05920	4.7
137.09569	6.2
139.11163	2.9
141.06888	2.3
141.09064	2.2
143.08527	8.9
145.04926	12.0
145.10083	17.7
147.08029	3.7
147.11659	30.5
149.09560	13.7
149.13210	27.8
151.11156	4.1
153.09041	2.9
155.08513	3.1
157.10112	12.6
159.07971	2.3
159.11655	30.4
159.33272	2.0
161.09639	2.4
161.13232	18.6
163.05978	11.4
163.11150	6.6
163.14757	4.2
165.12653	5.0
169.10095	3.2
171.10283	2.7
171.11636	6.6
173.04413	3.2
173.13220	11.6
175.11154	4.9
175.14789	7.0
177.12750	11.9
179.14262	4.9
183.11719	2.7
184.07370	4.2
185.13237	8.1
187.11143	2.9
187.14804	2.1
189.12622	2.6
193.12183	6.9
195.13695	10.5
199.14803	4.2
211.13235	5.8
217.15758	2.8
219.13777	3.0
227.12720	2.7
229.14124	3.4
239.17937	3.5
241.19440	13.4
255.15881	7.6
256.16367	2.0
257.18994	5.0
259.20502	32.6
267.15848	12.3
269.17419	96.2
275.19968	18.1
277.21625	4.1
285.16974	4.9
333.24033	5.7
335.18518	2.1
349.23660	30.5
351.25217	88.0
367.24600	2.1
375.25153	2.9
429.26788	2.5
431.22653	2.4
435.27432	2.3
441.26053	4.2
453.28076	5.3
459.27295	2.7
460.77402	2.4
461.28998	22.3
477.28192	3.7
479.30002	10.1
495.28937	5.8
511.32953	14.7
666.26971	2.5
726.34973	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.3
55.01868	6.6
55.05262	1.6
55.05504	28.2
57.03180	1.3
57.03431	18.0
58.03778	1.1
58.06590	1.3
59.04985	2.5
59.07362	1.0
60.08157	5.2
61.02902	2.8
62.74569	0.8
65.03914	3.0
67.05495	58.1
67.07343	1.0
67.60158	0.8
68.05849	1.2
69.03408	6.1
69.07053	11.1
70.06586	1.4
70.32056	0.9
70.59252	3.4
71.01346	1.2
71.04662	1.0
71.04979	8.0
71.07351	2.7
71.46725	0.9
73.02885	2.3
75.00395	0.9
79.05484	35.4
80.05816	1.1
81.03407	56.2
81.06568	2.0
81.07045	39.4
82.03750	2.2
82.07375	1.6
83.04971	17.4
83.08605	23.7
85.02425	1.6
85.02898	23.9
85.06513	5.4
86.09204	1.6
86.09693	25.0
87.04470	4.6
91.03905	1.2
91.05465	34.8
92.05807	1.6
93.07030	27.3
94.07325	1.1
95.04955	24.5
95.08586	17.6
96.08957	1.0
97.02879	7.0
97.06506	6.8
97.10162	16.7
98.98455	2.5
99.04429	1.6
99.08077	1.6
104.10721	2.2
105.07011	23.8
106.07335	1.0
107.04940	11.9
107.08580	18.8
109.02850	1.2
109.06509	7.0
109.10143	34.3
111.04410	3.9
111.08067	10.6
113.05975	2.7
115.05393	1.8
117.06989	3.3
119.04930	1.3
119.08565	22.1
121.06467	3.3
121.10126	14.9
123.04395	1.5
123.08042	3.9
123.11691	3.8
124.99973	17.8
125.05930	1.2
125.09603	11.5
127.03894	2.2
127.07537	2.4
129.05469	1.5
129.06975	12.1
131.04890	1.6
131.07040	1.4
131.08519	13.4
133.06454	4.2
133.10103	14.6
135.08017	2.8
135.11708	5.9
137.05920	3.8
137.09587	3.8
139.11189	1.3
142.07738	2.6
143.10620	2.2
145.06438	2.0
145.08572	2.5
145.10089	8.5
147.04376	2.2
147.08011	4.0
147.11682	12.6
148.12090	1.0
149.09605	8.7
149.13297	1.7
151.07501	2.0
151.11150	2.1
153.12738	1.9
155.10626	2.2
157.10123	11.7
159.11673	2.3
161.05942	2.0
161.09685	1.1
163.07483	1.4
163.11151	8.0
165.08969	1.0
165.12717	4.3
165.44841	1.1
167.07021	4.2
167.10571	1.3
171.11667	0.9
173.05986	1.1
173.09636	2.7
173.11720	11.3
173.13120	1.7
175.11159	13.5
181.04878	1.2
181.12155	2.9
183.13660	1.1
184.07312	100.0
187.11067	1.1
189.09184	2.0
189.11188	2.5
191.07004	1.1
191.10669	4.2
193.12209	42.4
194.12511	1.8
194.57932	1.0
199.13304	5.7
209.11696	5.6
211.13258	55.2
212.13629	2.3
217.12183	1.4
217.14125	1.2
219.13795	1.2
227.12704	6.9
229.14316	41.6
230.14595	1.0
243.15865	1.4
249.14949	1.8
255.15988	2.0
265.14313	1.2
266.33276	1.1
267.15878	35.7
268.16193	3.2
269.17245	1.6
283.15320	8.6
284.15744	1.6
285.16922	43.2
286.17419	1.9
287.14896	5.0
301.16434	15.2
309.11462	1.5
321.23926	1.2
349.23590	3.9
367.24579	2.1
383.22058	1.3
409.25772	3.4
421.25775	7.8
427.26797	4.3
435.27155	1.1
439.21066	2.0
439.26834	35.3
459.27368	2.8
460.27502	1.3
461.28360	4.2
475.26678	5.7
477.28137	1.8
478.28906	1.4
479.28873	3.9
493.27594	8.0
511.28946	22.3
512.29016	2.0
529.29846	6.9
676.34253	12.1
727.26703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01862	2.5
57.03431	1.3
61.02904	1.4
65.03938	1.4
68.99783	5.2
69.03421	3.4
69.68271	1.6
69.68705	2.3
71.05003	0.5
73.02899	0.5
76.78241	0.5
79.05491	1.2
81.03408	2.8
85.02900	9.7
91.03978	0.8
91.05466	5.3
95.04948	4.7
97.02884	3.8
98.73232	0.5
99.04474	0.9
103.05431	0.5
105.07022	0.7
107.04942	77.9
108.05250	1.0
109.02861	2.0
111.00795	3.5
111.04423	1.9
111.29243	0.5
115.05368	0.5
119.04929	54.1
120.05235	0.7
121.02852	8.3
121.06477	0.5
123.04415	34.2
124.04807	0.8
125.02255	0.5
125.92570	0.5
127.03901	5.6
128.06302	0.5
131.04929	1.3
133.06468	7.3
135.04378	2.9
135.53914	0.4
137.02290	1.2
137.05974	0.9
139.03886	32.5
141.07031	0.5
143.04893	0.5
145.02905	0.6
145.04965	1.5
145.06461	11.8
147.04393	57.7
148.04781	1.0
149.02319	7.1
149.05988	1.0
149.46335	0.5
151.03889	20.7
153.01813	1.9
153.06998	0.9
155.03351	1.5
157.06480	5.6
159.04335	0.7
159.08014	1.2
161.05957	7.9
163.03883	9.8
165.05478	6.0
165.06848	1.1
167.03395	11.7
167.06996	0.8
169.06488	1.7
171.04376	11.2
171.05707	1.0
171.08005	1.6
173.05991	1.3
175.03929	3.1
177.05458	1.9
179.03374	10.5
179.06995	1.1
181.04945	1.9
181.06497	1.8
183.08025	0.8
185.05927	6.8
187.03918	1.4
187.07504	5.1
189.05443	12.7
191.01624	0.9
191.03368	14.3
193.04930	3.0
193.06447	0.7
197.06004	1.9
199.07491	3.8
201.05449	3.4
203.03369	7.3
203.07066	1.7
205.04985	1.4
207.06493	2.1
211.07538	1.3
213.05473	7.0
215.03391	1.8
215.06944	4.1
217.04898	1.6
225.05449	1.5
227.06999	7.7
229.04933	6.1
231.06494	50.8
232.06883	0.7
233.04440	8.0
237.05501	0.5
239.07066	4.6
241.04922	0.7
243.06537	12.3
245.04465	4.5
245.08090	6.2
251.05298	2.3
255.06494	21.6
257.04425	12.9
257.08044	9.0
258.05096	0.7
259.05899	1.0
267.06476	14.0
269.04407	3.6
269.08026	1.7
271.06027	1.4
273.07538	100.0
274.07880	2.2
275.05481	16.8
279.06464	1.0
281.08151	0.6
285.07535	24.2
287.05466	16.9
287.08337	0.7
291.05621	0.9
291.08609	11.1
297.07596	4.0
299.05276	4.9
303.08398	3.1
311.05203	0.6
315.08548	1.7
333.09747	0.7
333.67041	0.5
338.83267	0.5
339.08450	1.1
375.10574	1.8
393.09570	17.6
395.11261	3.6
399.10681	0.7
405.09442	1.2
407.11349	0.9
409.09064	7.7
411.10684	16.2
419.10587	1.8
423.10422	0.8
427.10220	5.7
435.12720	3.8
437.12091	3.0
439.09885	0.9
447.12714	1.5
545.13501	0.7
563.15100	2.0
563.22742	0.7
571.14417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44287	2.3
53.03919	4.4
55.05503	14.1
57.03426	23.5
57.07051	2.9
58.14347	2.8
61.02902	4.1
67.05163	4.2
67.05491	56.3
69.07040	11.8
71.08599	3.1
71.62987	2.5
71.63344	2.9
79.05477	40.9
81.03404	78.2
81.06573	3.4
81.07040	54.5
83.04961	6.0
83.08609	23.7
85.02869	3.7
86.09692	5.3
91.03942	2.5
91.05463	30.9
93.07029	43.0
93.30515	2.6
95.04947	27.8
95.08597	32.1
97.02861	5.2
97.06481	4.3
97.10153	6.7
105.07000	21.1
107.04918	7.8
107.08577	21.2
109.02922	2.4
109.06481	4.1
109.10140	19.1
109.80078	2.4
109.80873	2.4
111.08042	6.1
117.06976	7.0
119.08565	18.1
121.06544	4.8
121.10130	20.3
123.11681	4.9
124.99979	5.2
125.09589	3.5
129.06978	9.6
131.08543	17.5
133.06494	4.2
133.10095	13.3
135.07968	2.5
135.11641	10.9
137.09564	3.7
137.13228	3.2
143.91199	2.4
145.10065	7.9
147.11668	11.5
148.65474	2.3
149.09599	4.7
149.13249	4.6
157.10086	10.5
159.11681	4.9
160.11151	2.6
161.13194	3.0
163.11197	2.5
163.14818	2.9
173.13216	5.3
175.11180	3.8
175.64081	2.4
184.07291	23.0
185.07620	4.8
185.13272	2.5
186.07904	2.9
186.86583	2.6
193.12257	16.9
227.12737	6.2
231.66615	2.5
235.13139	3.6
243.21019	4.6
258.09045	4.1
261.22034	16.6
267.15863	100.0
268.16211	2.5
289.52319	2.6
301.24988	4.7
309.17020	3.2
317.24557	2.9
335.25726	90.8
361.34982	3.0
383.47095	2.7
453.33493	7.5
471.34573	3.6
527.29944	4.0
527.37262	46.7
545.38177	31.0
569.38000	5.8
595.47174	14.3
623.39154	2.7
644.64471	3.0
724.42798	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	724.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12870	0.3
55.01842	1.3
55.05506	5.6
57.03428	6.2
61.02894	0.7
65.03889	0.4
67.05493	14.4
68.05814	0.4
69.03378	1.5
69.07057	5.9
69.47351	3.6
71.04967	2.2
73.02912	0.6
75.68414	0.3
79.05482	8.9
81.03404	33.5
81.07043	31.2
81.07741	0.6
83.04964	3.7
83.08146	0.6
83.08605	10.4
85.02855	1.1
85.06553	1.9
91.05466	14.4
93.06472	0.4
93.07029	7.9
95.04956	9.6
95.08050	0.4
95.08592	8.0
97.02847	1.4
97.06526	3.1
97.10114	1.2
99.04401	0.6
99.08063	1.3
99.46025	0.4
100.19679	0.3
101.05993	0.7
105.07008	15.5
107.04939	2.7
107.08578	6.4
109.06491	3.4
109.10152	2.0
111.04409	1.3
111.08075	3.8
113.05956	0.9
115.05423	0.5
117.06975	0.8
119.08562	13.6
121.06486	1.3
121.09316	0.7
121.10125	10.2
123.08050	2.9
123.11684	11.7
125.09602	1.0
127.07484	1.4
129.05461	0.5
129.06995	3.5
131.08551	4.4
133.06444	1.4
133.10104	3.6
135.08064	0.6
135.11638	0.9
137.09540	0.8
137.13223	0.9
141.09062	0.4
142.07744	0.8
145.10092	1.5
147.07991	1.0
147.11661	28.2
148.11954	0.5
149.09589	2.4
151.11108	0.5
157.10117	5.3
163.11124	1.2
165.11372	0.7
165.12730	12.3
165.14102	0.6
166.13016	0.4
168.92480	0.4
173.09648	0.5
175.11169	4.5
183.13748	1.2
184.65242	0.4
191.10567	0.4
193.12216	13.6
195.13710	0.4
203.64333	0.4
209.11650	0.6
211.13235	2.5
227.12729	0.7
229.14310	2.1
235.13060	0.4
249.14828	1.0
253.14253	0.4
267.15872	100.0
268.16223	2.8
269.17453	0.5
283.15417	1.2
285.16913	41.7
286.17300	1.1
301.16412	1.3
309.17044	0.4
317.15646	0.5
318.57852	0.4
403.25006	0.8
441.65247	0.4
459.27368	6.4
469.75931	0.4
477.28400	52.5
478.28784	2.3
495.29471	1.7
509.31662	0.6
519.29382	1.6
527.28802	0.5
585.30695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41764	0.5
55.01859	1.6
55.05503	9.2
57.03429	9.9
67.05164	0.9
67.05499	14.3
69.03429	3.3
69.07057	3.6
70.87440	0.6
70.87787	1.3
71.04969	2.5
73.02917	0.6
79.05479	14.7
80.11813	0.5
81.03407	70.9
81.06572	0.8
81.07047	14.1
82.03748	0.7
83.04966	8.3
83.08605	16.6
83.25393	0.6
85.02897	10.3
85.06533	1.3
91.05469	19.6
93.07031	10.8
95.04956	21.6
95.08581	6.4
97.02879	2.0
97.06534	2.2
97.10137	3.9
105.07013	14.9
107.04939	7.2
107.08575	6.0
109.06488	3.6
109.10133	3.1
111.04431	1.3
111.08062	5.6
115.05462	1.1
117.06999	2.4
119.04899	0.6
119.08572	12.7
121.06475	2.8
121.10125	5.6
123.04429	0.7
123.08039	2.2
123.11704	1.0
125.09621	2.0
129.06987	9.0
131.08543	9.2
133.06467	3.2
133.10117	5.9
135.08084	1.2
135.11659	1.1
137.09621	1.3
141.06929	0.8
142.07748	2.2
143.08569	1.4
145.06485	3.9
145.10136	1.7
147.08037	2.3
147.11664	9.8
147.12770	0.8
149.09587	4.1
151.11166	0.6
155.08614	0.7
155.48811	0.5
157.10106	9.6
159.08075	0.7
161.09628	0.7
163.11182	1.0
165.12767	1.5
169.10094	0.6
171.11653	0.8
175.11168	8.5
189.11192	1.2
193.12222	23.3
195.11688	0.7
199.11188	0.8
205.12199	0.6
209.13354	0.5
211.13249	13.5
219.13904	0.6
227.12654	1.3
229.14363	1.1
233.15251	0.7
237.12877	0.7
249.14873	1.7
255.13765	1.0
256.65344	0.5
267.15878	100.0
268.16248	2.8
273.14743	2.9
285.16949	15.2
286.17404	0.6
309.17023	0.7
339.23193	1.3
341.21237	1.1
349.21536	2.3
367.22623	7.3
385.23697	10.0
403.24976	3.0
433.25851	14.7
434.26254	0.7
441.26334	7.5
442.27036	0.7
459.27350	75.3
460.27756	3.5
477.28421	45.7
478.28766	1.9
491.29749	0.7
501.28711	0.8
509.30930	0.8
519.29523	1.3
561.06268	0.6
585.30408	1.3
603.30945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
53.03931	3.4
55.01616	1.3
55.01863	16.7
55.05499	24.8
57.03426	21.4
57.07062	4.6
59.04977	1.9
61.02922	7.6
65.03912	2.1
67.05493	35.4
69.03421	6.6
69.07054	8.9
70.04208	1.2
71.01328	2.1
71.04985	3.4
73.02901	7.8
77.03964	0.8
79.05479	32.1
80.06248	0.9
81.03404	27.5
81.06570	1.4
81.07040	27.0
82.04180	7.8
82.07366	0.7
83.01308	1.5
83.04966	16.9
83.08604	13.1
84.02112	1.8
84.05721	2.0
85.02890	7.1
85.06505	2.8
87.04444	1.0
91.03927	2.3
91.05460	24.8
92.06238	1.0
93.07022	23.1
94.04149	1.2
94.07826	1.5
95.04941	22.1
95.08589	12.2
96.05717	1.5
97.02879	7.2
97.06519	9.8
97.10150	17.7
98.07290	9.5
98.20729	2.2
99.04446	2.2
99.08087	1.4
101.06011	1.5
105.07010	12.7
107.04930	8.4
107.08573	16.8
109.02876	1.3
109.06483	5.4
109.10137	12.5
111.04414	2.9
111.08048	6.3
113.05969	1.7
115.05415	1.2
116.04687	17.1
116.05452	1.3
117.05488	1.2
117.06982	5.9
119.08562	14.0
119.80406	0.7
120.09281	1.2
121.05727	0.7
121.06477	3.5
121.10107	7.5
122.10863	0.8
123.04417	1.0
123.08057	7.7
123.11662	0.7
125.05954	1.6
125.09608	22.7
125.10539	1.2
127.03915	1.1
127.11163	2.1
129.05455	42.3
129.06865	5.2
131.04939	1.0
131.08545	8.7
133.06450	1.7
133.10104	8.5
135.08063	4.8
135.11688	7.2
135.12621	1.3
136.08804	2.2
137.05905	0.8
137.09586	3.0
142.07767	0.9
143.07004	10.0
143.08165	1.0
143.08595	1.1
143.10661	3.2
145.04880	0.9
145.06444	0.8
145.10097	9.3
147.08018	3.4
147.11671	7.1
149.09596	4.1
151.11089	0.9
153.09074	2.9
153.12717	3.2
155.08528	1.7
155.10684	0.7
157.08566	21.5
157.10072	4.8
158.05736	2.0
159.08011	0.8
163.11140	12.5
164.11899	1.6
165.12730	1.3
167.07062	0.8
171.06458	2.0
171.10144	7.2
173.09601	2.1
173.11720	5.0
175.11183	4.8
181.12177	3.3
183.06509	0.9
185.11671	1.3
189.11186	12.0
189.12732	0.6
191.10606	2.4
193.12172	7.4
199.09702	1.0
199.11552	1.3
199.13269	13.1
199.14975	1.1
200.14041	2.8
201.14786	0.9
208.12546	0.8
209.11670	11.5
210.12325	3.5
211.13264	3.6
217.14310	2.2
227.12724	19.5
227.14856	1.2
228.13316	1.0
229.14276	5.4
241.14246	0.8
247.13271	1.8
255.15936	2.7
265.14301	1.8
267.15869	12.1
268.16486	1.3
269.17319	0.7
271.15256	0.9
283.15344	13.4
284.16141	1.9
285.16974	1.8
301.16403	100.0
302.16772	3.5
309.16895	1.0
355.17444	1.6
383.20490	0.9
409.95505	0.7
425.25217	2.1
438.25687	1.2
443.26135	2.6
455.26401	7.7
459.27069	4.6
460.28107	0.9
475.27054	1.6
476.27591	1.4
477.28397	5.2
493.27988	6.0
495.29391	0.8
499.31223	0.9
509.27069	5.7
510.28262	5.3
527.28406	60.6
528.28632	5.1
609.50891	0.9
609.61200	0.8
680.95789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01850	4.0
55.05503	24.5
57.03420	6.5
57.07045	4.2
62.51140	2.4
65.03931	4.2
67.05498	77.4
69.03427	9.8
69.07066	19.1
69.47384	19.7
71.04975	21.6
71.08581	2.2
71.90345	1.9
79.05482	43.3
81.03403	25.0
81.07047	100.0
83.04979	17.2
83.08594	12.0
85.02888	5.7
85.06523	6.0
86.09696	5.6
87.49718	2.0
91.05474	40.1
93.06463	3.2
93.07029	45.6
95.04956	10.3
95.08591	31.2
97.02905	5.3
97.06506	5.6
97.10149	3.9
99.04447	4.8
105.07013	21.4
107.04966	3.5
107.08574	27.7
109.06483	3.3
109.10132	19.3
111.04439	5.7
111.08038	3.3
117.07004	8.4
119.08554	15.1
121.10136	21.8
123.08084	3.0
123.11684	15.0
129.05444	6.3
129.06956	5.3
131.08571	10.2
133.10101	24.5
135.11687	9.9
137.09488	2.1
143.08568	2.8
145.10092	10.3
147.07980	2.4
147.11665	9.5
149.13254	7.8
151.11150	6.1
157.10104	4.6
159.11687	8.3
161.13226	2.3
163.11180	3.1
171.11731	2.7
173.04440	7.3
173.13213	5.6
175.14644	2.4
177.12735	6.1
183.13890	2.5
184.07344	21.5
185.07660	2.4
185.13135	2.6
187.13242	6.4
187.14839	3.7
193.10028	2.0
193.12233	2.9
195.13843	3.3
218.93588	2.1
219.74258	1.9
243.15915	3.9
261.22177	2.7
267.16083	2.9
269.17392	6.1
277.21542	4.1
301.20239	2.2
310.61639	2.2
335.25751	23.5
369.24182	3.9
437.33807	2.2
445.24298	4.5
456.72696	2.3
503.30374	3.5
503.37250	38.6
504.37192	2.6
505.38669	7.4
517.38586	4.4
529.38794	12.9
561.41437	39.7
673.43091	7.6
705.44666	8.6
723.42120	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01866	2.8
55.05508	16.9
57.03434	7.2
57.07068	3.2
60.08160	5.4
61.11332	1.0
65.03917	2.4
67.05498	63.7
68.05829	1.1
68.84050	0.9
69.03421	9.7
69.07059	14.0
71.04982	18.5
71.07357	3.7
71.63428	1.4
71.92978	1.1
73.02905	1.0
75.03827	0.9
79.05487	33.7
81.03412	20.3
81.07049	91.8
83.04976	14.9
83.08604	10.7
85.02882	2.2
85.06539	7.6
85.90519	0.9
86.09697	30.3
87.10026	3.9
91.05473	32.4
93.07034	43.7
93.07622	2.2
94.71898	0.9
95.04967	5.7
95.08591	28.3
97.02885	5.6
97.06525	6.1
97.10175	2.8
98.98464	3.3
99.04450	2.8
99.08102	1.4
104.10726	1.4
105.06370	1.8
105.07021	19.4
105.11070	1.2
107.04958	2.5
107.08584	22.3
109.02872	3.6
109.06524	3.8
109.10142	16.5
111.04431	3.3
111.08067	2.3
115.05416	1.6
117.07005	7.6
119.08569	13.4
121.06494	2.3
121.10143	16.6
123.08035	1.4
123.11687	10.9
124.99994	21.0
125.00874	1.8
125.09592	2.3
126.00352	1.2
127.03925	2.4
129.04607	0.9
129.05447	5.5
129.07007	3.3
131.08542	11.3
133.10109	19.8
133.11058	1.4
135.11671	9.3
137.09608	1.3
139.11145	1.3
139.21722	0.9
141.06999	1.2
143.08496	1.8
145.06499	1.0
145.10104	7.5
147.04385	1.1
147.08076	0.9
147.11678	6.7
149.09570	2.1
149.13239	7.2
151.11177	4.9
153.12711	1.4
155.08562	1.9
157.10136	3.0
159.11693	9.2
160.26680	1.0
161.13264	3.3
163.11201	1.7
163.14809	1.3
165.12755	1.8
167.08577	1.1
169.10161	2.5
171.11751	1.8
173.04462	7.7
173.11819	1.3
173.13271	2.8
175.11128	1.8
175.14830	1.8
177.12727	3.7
179.14235	1.0
181.26656	0.9
183.11693	1.7
183.13786	2.9
184.07320	100.0
185.07687	17.2
185.13304	1.7
187.11572	1.0
187.13275	5.5
187.14717	1.3
193.12286	2.0
195.13753	1.4
197.13208	1.0
201.14885	2.0
203.14372	1.2
225.14709	1.4
225.30618	1.0
227.16353	1.1
243.15918	3.7
254.96652	1.2
257.17328	2.0
259.20700	1.8
261.22086	4.4
267.15900	1.3
269.17447	7.6
275.20099	1.1
297.94043	1.2
301.20132	1.2
335.25797	25.6
349.27740	1.3
351.23007	1.3
369.24072	2.4
387.25143	1.1
413.21399	1.9
445.24271	4.7
461.28989	3.3
485.36276	1.4
503.37283	36.3
504.37454	2.0
505.38708	8.2
517.38861	2.8
529.38837	12.1
561.41522	41.1
562.41656	2.2
592.66626	1.2
632.80627	1.3
647.40656	1.3
673.42932	6.5
705.45636	10.9
723.46411	12.2
724.47235	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.9
55.01864	17.6
55.05499	33.3
57.03427	17.4
57.07067	24.9
61.02908	3.6
65.03916	9.3
67.05492	100.0
69.03116	2.6
69.03418	27.1
69.07053	25.2
70.34380	2.5
71.01334	5.8
71.04962	10.7
71.62459	3.2
73.02900	8.3
77.03902	2.4
79.05477	92.0
80.05843	2.5
80.06261	8.1
81.02967	3.7
81.03407	46.6
81.07043	82.2
83.04961	26.7
83.08594	19.2
85.02882	18.6
85.06526	7.8
91.05464	75.4
92.06258	2.6
93.07027	78.9
93.07613	4.3
94.07825	5.6
95.04949	26.1
95.08037	4.0
95.08590	49.8
96.08877	2.9
97.02850	18.0
97.06509	14.7
97.10143	9.2
99.04451	5.4
99.08039	5.0
101.02368	2.5
103.05473	3.6
105.07010	69.0
106.07825	3.5
107.04923	11.6
107.08575	45.7
107.97321	2.4
109.02858	5.7
109.06499	4.9
109.10136	37.0
111.04433	9.6
111.08043	11.9
111.11677	2.5
113.05955	2.5
115.03890	2.5
115.05423	4.0
117.06991	25.5
119.08562	45.1
120.09387	2.8
121.06515	5.7
121.10118	35.5
123.04428	3.8
123.08035	7.6
123.11659	7.8
125.09599	4.9
127.03887	5.6
127.11140	6.8
129.05484	2.8
129.06987	15.1
131.08540	35.9
133.10115	33.1
135.08011	4.9
135.11664	18.9
137.09572	5.3
137.13167	2.3
142.07744	2.9
143.08533	8.5
145.06465	2.9
145.10088	25.8
147.08028	3.4
147.11653	25.8
149.09576	8.6
149.13213	10.2
151.11205	2.7
153.12718	2.8
157.08873	2.1
157.10110	13.0
158.05617	2.4
159.11653	12.5
160.12500	2.5
161.09587	3.5
161.13219	9.8
163.11160	8.7
163.14844	3.5
165.12691	7.0
169.03073	2.3
169.10060	3.3
171.06520	6.5
171.11681	7.6
173.04466	5.6
173.13206	9.4
175.11145	13.3
175.14729	3.2
177.12767	4.0
179.14320	2.9
183.11684	4.9
184.07312	6.8
185.13266	6.1
187.14777	8.2
191.10727	3.2
193.12175	18.9
199.09662	2.7
201.07486	3.0
201.14757	4.3
207.13818	3.1
209.11699	4.2
211.13254	13.6
227.12721	7.0
229.14305	6.5
247.16895	6.9
255.15822	7.6
261.22025	6.9
267.15845	10.1
269.17398	6.6
275.19986	4.6
276.20514	2.4
277.21555	4.8
283.15338	8.9
285.53793	2.5
301.41940	2.2
303.23032	2.7
335.25763	22.8
351.25003	6.4
489.35724	4.2
515.37091	3.7
525.35724	4.0
543.36774	19.1
544.37225	3.2
545.38446	13.2
561.37701	11.4
705.41675	11.6
723.43390	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.7
53.03936	8.4
54.92516	1.6
55.01865	12.4
55.05258	2.3
55.05506	35.2
56.05832	2.5
57.03429	13.3
57.07067	4.8
59.04995	2.6
61.02903	6.5
65.03923	5.0
67.05497	100.0
68.05827	2.6
69.03417	17.7
69.07060	26.6
71.04979	12.0
71.08622	25.1
71.62756	2.2
73.02906	5.0
79.05486	66.3
79.15705	1.6
80.05824	3.4
81.03405	55.1
81.07047	99.0
82.07366	2.6
83.04974	25.3
83.08609	27.7
85.02886	18.4
85.06530	6.1
87.04460	2.1
91.05468	56.9
93.07028	86.2
94.07316	2.6
95.04951	22.7
95.08598	52.4
97.02874	17.5
97.06517	25.1
97.10159	11.0
99.04446	5.9
99.08085	13.9
101.02345	2.6
103.05469	2.6
105.07020	48.4
107.04938	15.0
107.08574	50.5
108.08925	2.4
109.02863	7.6
109.06474	9.3
109.10140	32.3
110.06778	1.7
110.10466	2.1
111.04456	6.9
111.08066	11.3
113.05981	3.0
113.09628	2.2
115.05430	2.7
116.07972	1.6
116.83522	1.8
117.07003	14.2
119.08570	37.2
119.49760	1.5
121.06479	5.8
121.10126	34.8
123.08051	6.6
123.11687	6.8
125.00024	3.3
125.09592	9.3
127.03883	10.5
129.05443	4.5
129.07005	11.5
131.08549	23.3
133.06479	5.2
133.10112	28.8
135.08069	9.9
135.11671	23.9
137.09590	5.2
138.08833	2.0
141.09068	3.0
142.07796	2.0
143.08536	7.8
145.06490	2.0
145.10104	17.9
147.08018	3.9
147.11676	21.4
149.09613	11.4
149.13229	15.5
151.11182	9.9
153.12767	2.1
155.08647	2.7
157.10100	13.5
159.11681	10.3
161.09575	3.7
161.13208	11.5
163.11177	8.5
165.09065	2.3
165.12766	5.2
171.11679	5.2
173.04460	5.9
173.11714	4.2
173.13222	7.3
175.11151	7.9
175.14828	2.9
177.12733	4.1
179.14293	51.9
181.12317	2.9
183.11694	4.0
184.07321	11.7
185.13307	2.8
189.11197	5.6
189.12773	2.8
191.10562	2.8
193.12177	15.0
195.13794	6.9
207.17406	2.5
209.11653	3.7
211.13228	16.2
221.15340	2.7
227.12656	9.1
229.14290	7.5
253.14420	3.2
257.19003	4.9
259.20596	7.5
259.44455	1.9
267.15860	14.3
269.17435	23.1
270.17850	2.5
275.20007	27.4
276.20169	2.8
277.21591	47.1
278.21918	2.9
283.15381	3.0
285.16931	6.4
291.19357	2.1
293.21133	4.1
333.24255	4.2
335.25739	5.8
349.23633	17.5
350.23880	1.9
351.25281	32.7
365.22879	2.9
369.24460	2.4
411.19839	4.7
413.21585	2.1
429.21170	14.9
439.26535	4.2
451.31924	2.7
463.30264	9.4
479.29941	2.5
489.35690	15.6
525.35358	3.5
542.35364	2.1
543.36707	70.1
544.36926	7.3
561.29755	2.3
561.37830	32.3
562.38153	4.0
607.33893	3.3
669.39612	2.3
687.40656	6.3
705.29712	2.9
705.41809	47.1
706.41840	5.8
723.41571	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	723.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	2.3
53.03943	10.0
55.01868	8.3
55.05255	2.7
55.05503	32.9
57.03430	16.4
57.07068	4.9
59.04999	1.7
60.39795	1.6
60.45441	1.5
61.02910	2.7
65.03938	2.4
66.56119	1.3
67.05494	88.3
68.05837	3.6
69.03079	1.6
69.03423	20.2
69.07060	27.3
69.97949	9.5
71.01310	2.0
71.04987	12.1
71.08624	28.3
73.02916	2.7
79.05480	68.5
81.03406	78.2
81.07043	100.0
82.07392	2.7
83.04969	27.3
83.08607	33.9
85.02892	17.6
85.06531	7.4
87.04437	2.0
91.05468	64.2
93.07030	82.5
95.04947	31.5
95.08593	55.4
97.02883	22.4
97.06513	17.8
97.10158	9.7
99.04443	5.9
99.08081	20.8
103.03880	1.6
105.07014	61.8
106.07371	1.9
107.04945	14.7
107.08579	53.8
109.02854	10.8
109.06485	10.0
109.10132	28.8
111.04434	8.2
111.08043	12.3
113.06009	2.7
113.09624	5.6
115.05445	2.2
117.06991	15.2
119.08564	54.2
121.06475	6.7
121.10120	45.8
123.08049	4.5
123.11680	15.5
125.09618	5.8
127.03906	10.8
127.07572	2.4
129.05464	4.1
129.06972	12.1
131.08546	27.6
133.06473	4.1
133.10095	30.4
134.10378	1.6
135.08058	4.5
135.11671	32.6
137.09627	5.8
137.13240	2.4
141.09122	4.7
142.07692	2.3
143.08511	9.5
145.10092	15.0
147.08012	5.3
147.10503	2.8
147.11661	51.8
149.09598	8.5
149.13229	11.9
150.18201	1.5
151.11133	11.0
153.12721	1.7
155.08478	1.9
157.10112	19.6
159.11652	13.7
161.09529	3.9
161.13223	18.6
163.11163	11.1
163.14816	2.8
165.12700	13.5
167.08511	2.0
167.10605	2.6
169.10051	3.8
171.11670	5.7
173.04434	2.0
173.09607	4.4
173.11806	3.2
173.13245	8.0
175.11185	12.6
175.14816	5.4
177.12712	4.6
179.08481	1.8
179.14288	72.4
180.14522	1.5
181.10059	1.8
181.12334	2.1
183.11664	2.7
183.13829	2.1
184.07315	5.1
185.13229	6.8
187.14815	2.7
189.12770	3.8
193.12218	30.2
197.13239	1.7
199.14798	3.2
206.55203	1.6
209.11636	3.2
211.13237	31.8
211.14973	2.7
221.15143	2.2
227.12704	7.6
229.14362	5.6
231.20981	3.0
235.16997	2.3
241.19492	9.7
249.14743	2.3
257.18872	2.3
259.20529	28.0
267.15881	46.1
269.17487	5.1
275.19980	5.9
277.21579	58.7
278.21863	2.6
285.16928	38.9
286.17184	2.3
295.22610	6.3
301.21542	3.2
315.23169	2.2
333.24152	18.5
343.78854	1.7
349.23599	4.7
351.25293	43.5
353.16443	1.8
355.17609	4.8
367.22614	2.2
369.26688	1.7
385.23941	2.7
411.19955	6.8
429.21133	42.8
451.32739	2.0
469.33167	2.0
489.35727	13.4
514.97076	2.0
525.35522	4.6
543.36725	78.2
544.36853	4.6
559.35687	1.9
561.37695	33.2
562.38342	2.1
637.30359	2.2
651.39111	1.8
685.81018	1.7
687.40936	4.6
705.41980	54.3
706.42133	4.8
723.41064	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	722.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.4
56.04999	0.8
57.07040	0.5
57.60859	0.2
58.06589	0.4
60.08154	5.6
65.98976	0.2
67.05470	0.7
67.35087	0.2
69.07024	0.4
69.29611	2.7
71.07359	2.5
79.05457	0.3
81.03397	0.3
81.07018	0.7
83.08559	0.3
85.10130	0.2
86.09692	27.9
87.08907	0.2
91.05421	0.4
95.08551	0.6
98.98456	2.0
104.10721	2.3
107.08544	0.3
109.10130	0.3
124.99982	17.4
133.10098	0.3
143.01013	0.4
147.65874	0.2
166.02681	0.3
184.07309	100.0
185.07642	0.5
246.69403	0.2
481.38736	1.1
525.39972	0.4
550.15411	0.3
625.03906	0.3
690.47113	1.0
702.54456	0.3
722.49554	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	722.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	2.2
53.81521	0.5
54.08493	0.6
55.01862	5.0
55.05505	11.3
57.03427	10.0
57.07046	0.8
59.04969	1.2
59.66035	0.5
61.02907	0.7
65.03907	1.8
67.05493	21.6
68.05801	0.9
69.03421	4.8
69.07053	6.1
69.34444	6.4
71.01332	1.0
71.04983	4.2
73.02892	1.1
73.45631	0.5
79.05480	24.9
80.05775	1.2
81.03404	54.3
81.07043	25.4
82.03715	0.6
82.07349	1.6
83.01309	1.1
83.04969	8.8
83.08604	17.2
85.02894	5.1
85.06509	2.3
91.05466	21.3
92.05769	1.1
93.07029	27.9
94.07346	1.4
95.04367	0.9
95.04949	17.1
95.08596	23.0
95.68620	0.6
96.05257	0.9
97.02885	7.1
97.06501	6.3
97.10149	3.8
98.10519	0.6
99.04411	2.2
99.08026	0.9
103.05468	0.6
105.07014	16.8
106.07317	1.7
107.04937	10.2
107.07858	1.1
107.08572	21.5
109.02838	2.3
109.06499	6.7
109.10141	7.2
110.06774	0.7
110.10373	0.7
111.04410	3.7
111.08070	6.7
113.05970	1.3
115.05437	0.9
117.07008	7.2
119.04894	1.1
119.08557	21.5
120.08884	1.4
121.06476	6.0
121.09298	0.9
121.10123	12.6
122.10499	0.7
123.04366	1.0
123.08035	3.5
123.11642	1.8
125.05989	2.7
125.09573	2.6
127.03899	2.0
127.07557	0.9
129.06998	7.0
131.04855	0.8
131.08548	8.0
132.08856	0.6
133.06485	2.9
133.10115	9.4
134.10362	1.0
135.08023	2.8
135.11670	26.7
136.11937	1.0
137.05960	1.3
137.09538	1.7
137.13214	0.7
139.07486	1.5
142.07751	2.1
143.08528	1.5
145.06369	1.3
145.10097	19.1
147.04353	0.8
147.07991	3.4
147.11655	9.1
148.11981	0.6
149.09589	4.5
149.13155	0.9
151.07426	0.8
153.12720	1.7
155.08578	1.3
157.10107	10.2
158.10448	1.2
159.11607	2.2
160.12051	0.7
161.09531	0.8
163.11154	41.3
164.11467	1.4
165.09099	0.8
165.12727	2.2
169.10069	0.8
171.11548	0.8
173.09558	2.2
173.11757	0.8
173.13165	0.6
175.11142	7.9
176.11441	0.6
181.12209	7.5
184.07312	2.6
187.11069	0.7
187.14738	0.6
187.30850	0.6
189.09128	0.8
189.11151	0.8
191.10565	1.7
193.12225	17.2
194.12526	1.4
199.89000	0.6
209.11710	1.6
211.13274	8.4
212.13649	1.4
223.13170	1.2
227.12740	35.0
229.14258	0.8
235.13374	0.6
241.14261	1.4
249.14828	1.6
257.18817	0.6
265.14392	1.3
267.15875	80.6
268.16187	1.9
273.14911	0.8
275.19989	3.8
276.20355	3.2
283.15353	45.8
284.15701	1.1
285.17020	4.2
315.18048	2.2
349.23590	1.7
350.23975	1.5
355.22757	0.8
383.22095	2.7
399.99185	0.7
401.22998	0.8
419.24127	0.8
429.21234	1.0
430.21692	0.8
457.25729	6.0
461.28732	0.9
464.33853	0.7
467.26373	0.9
475.26859	100.0
476.27115	2.8
493.27795	8.6
496.41931	0.8
507.29492	2.6
517.28156	1.5
525.30658	6.5
542.35468	2.4
560.37073	3.1
704.40552	2.0
722.41058	2.7
727.32172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01866	3.5
55.05254	0.7
55.05502	10.3
56.46451	0.4
57.03431	8.3
59.04986	1.0
61.02922	0.8
65.03926	0.6
67.05495	13.4
69.03423	1.9
69.07060	3.5
70.87413	0.6
70.87752	0.9
71.01350	0.8
71.04984	2.1
73.02917	0.5
79.05483	12.3
81.03407	36.9
81.07047	13.3
82.03740	0.7
82.07344	0.5
83.01337	3.0
83.04971	7.0
83.08607	11.8
84.75547	0.4
85.02891	3.0
85.06524	0.7
91.03952	0.4
91.05466	13.0
93.07029	13.3
95.04952	13.4
95.08601	6.2
97.02885	2.6
97.06500	3.0
97.10150	5.2
99.04446	1.2
99.08054	0.6
105.04509	0.5
105.07023	9.1
107.04931	6.2
107.08585	8.9
109.02863	1.4
109.06499	4.7
109.10139	4.0
111.04440	2.6
111.08059	4.2
115.05474	1.1
117.07003	4.2
119.04964	1.0
119.08559	8.6
121.06486	3.4
121.10114	5.7
123.04421	0.9
123.08039	3.6
123.11662	0.7
125.02408	0.5
125.05992	0.8
125.09600	3.6
125.48355	0.5
127.03911	0.5
128.06200	0.7
129.06995	5.1
131.04845	1.0
131.08551	6.0
133.06458	2.2
133.10132	4.2
135.04349	0.5
135.08034	1.9
135.11684	5.9
137.05952	1.0
137.09618	1.2
142.07729	0.7
143.08566	1.9
145.06458	1.4
145.10101	7.4
147.04410	0.9
147.08049	3.0
147.11682	4.1
147.37071	0.4
149.09621	2.4
151.11166	0.4
153.09164	0.7
153.12730	1.7
155.08556	1.4
157.06532	0.6
157.10094	4.4
159.07983	0.4
159.11731	0.8
161.05957	2.3
161.09613	1.1
163.07570	0.6
163.11168	10.2
165.12704	0.7
166.97574	0.5
169.10078	0.7
171.07979	0.8
171.11684	0.5
173.05966	0.7
173.09613	3.1
175.11163	4.4
177.12746	0.5
181.10303	0.4
181.12219	2.0
184.07333	1.0
185.13260	0.5
187.07600	0.8
187.11179	0.7
189.09299	0.6
189.11229	1.7
191.10606	2.1
193.12210	9.9
196.52248	0.4
197.09610	0.6
201.09135	0.5
203.14348	0.8
204.02234	0.5
205.12279	1.3
207.08447	0.4
209.11674	2.0
211.11267	0.8
211.13301	3.3
213.12726	0.7
215.10733	0.5
225.12811	0.8
227.12672	2.5
229.12285	0.6
231.13863	1.6
243.13832	1.2
249.14885	0.9
249.52266	0.4
257.15366	0.5
259.13217	0.5
265.14398	1.1
267.15872	21.5
268.16278	0.8
269.15070	1.0
269.17624	0.6
271.13266	1.1
273.14868	2.0
283.15369	19.0
284.15848	0.7
285.16962	2.4
287.16263	0.5
289.14383	2.7
337.21716	0.9
347.19955	0.4
349.23706	0.5
355.22668	1.7
365.20959	2.8
383.22134	12.0
384.22574	0.7
401.23190	6.3
407.24231	0.6
419.24335	1.9
421.23727	0.6
431.24414	1.0
439.24689	1.0
457.25842	20.7
458.26251	0.7
461.28873	0.6
475.26859	100.0
476.27219	5.3
489.27597	0.5
493.27890	15.6
494.28299	1.2
507.29584	0.8
517.27924	1.7
525.31158	2.3
583.29236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01857	2.0
55.05511	15.8
57.03424	8.9
62.26741	1.4
65.03949	3.2
67.05498	55.4
69.07061	12.7
70.81814	4.7
79.05482	50.5
81.03398	5.9
81.07047	50.5
81.07516	3.2
83.04972	10.7
83.08616	6.1
85.06541	2.6
86.09700	4.9
91.04955	2.9
91.05476	34.5
92.05853	2.3
93.07037	58.1
95.04955	15.2
95.08596	33.8
97.06516	4.0
97.10166	4.0
99.08012	2.3
105.07026	30.7
107.04949	4.9
107.08586	19.3
109.06499	3.6
109.10140	12.0
111.08104	2.1
117.07011	6.2
119.08583	20.3
121.09399	1.6
121.10130	10.4
123.08082	3.3
123.11709	4.1
124.99992	3.6
128.06195	1.8
129.06981	10.0
131.08540	5.9
133.10133	12.2
135.11700	5.6
135.97253	1.6
143.08594	5.2
145.10110	8.9
147.11693	23.5
149.13280	3.1
161.13269	8.2
163.14825	2.5
171.11678	14.5
173.13219	2.8
184.07286	20.0
189.12732	6.7
207.13785	19.5
211.75432	1.8
225.14825	2.4
240.06056	1.8
243.21031	2.8
246.00948	1.6
261.22083	6.7
270.37921	1.6
279.16162	1.9
281.17450	48.5
282.17743	2.6
335.25784	47.4
363.20569	1.8
402.80786	1.6
459.41208	1.8
524.40265	2.3
541.38855	100.0
542.39240	6.6
623.28027	2.6
624.28442	5.2
722.48621	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.9
52.55090	1.4
53.03938	9.2
53.51749	1.4
54.64200	1.7
55.01622	1.9
55.01868	29.6
55.05505	26.6
57.03429	11.2
57.07045	1.5
61.27206	1.4
65.03930	3.4
67.05495	49.0
69.03424	18.0
69.06711	2.3
69.07059	32.3
70.09055	7.2
71.05007	6.8
71.08615	1.8
74.16151	1.3
79.05480	46.2
81.03407	92.2
81.07043	67.4
83.04969	25.9
83.08614	25.9
83.68423	1.4
84.05255	1.6
85.02888	14.5
85.06538	3.3
89.97077	1.3
91.05469	63.9
93.07031	41.4
95.01311	9.1
95.04957	26.0
95.08595	35.0
97.02884	20.2
97.06515	52.1
97.10168	6.4
98.20778	1.7
99.04441	3.4
99.08075	1.5
103.05463	1.6
104.67174	1.6
105.07016	82.6
106.07384	1.9
107.04943	22.6
107.08586	22.7
109.02861	9.2
109.06526	8.0
109.10140	12.6
111.04423	9.3
111.08083	11.4
117.07000	14.5
119.04888	1.9
119.08566	48.1
121.06477	6.2
121.07295	1.6
121.10128	13.6
123.04385	2.8
123.08047	4.6
123.11706	3.5
125.09600	4.1
127.03912	8.1
128.06264	2.0
129.05461	3.1
129.06982	9.2
130.07748	1.5
131.08556	31.8
133.06480	4.1
133.10120	40.9
135.08047	4.9
135.11671	9.1
137.09618	4.5
139.07498	3.1
141.06958	3.4
142.07777	2.7
143.08533	5.3
145.06448	3.9
145.10112	21.7
147.08025	4.2
147.11664	25.3
149.09596	13.3
149.13229	5.7
151.11191	2.7
153.12782	2.1
155.08514	2.5
157.10092	15.1
159.08069	2.5
159.11671	13.9
161.09622	2.5
161.13225	5.0
163.07385	1.5
163.11118	9.2
164.26942	1.4
165.09099	4.8
165.12738	3.4
169.10066	2.7
171.11652	3.8
173.04433	3.5
173.09677	1.9
173.13245	4.1
175.11143	12.2
176.85858	1.5
177.12732	4.3
179.14261	13.3
181.12125	2.0
183.11687	2.5
185.13213	2.5
187.11096	3.9
189.11206	1.6
189.12787	2.2
193.10420	2.2
193.12219	34.9
195.13805	1.6
197.13203	2.4
201.12846	2.0
211.13254	36.3
211.15211	2.2
223.13275	1.4
223.45233	1.3
227.12758	3.8
229.14439	2.0
229.19319	1.9
239.17908	2.9
247.20418	1.9
249.14786	4.0
257.18930	7.0
267.15887	40.5
275.20026	100.0
276.20374	2.1
279.15771	2.5
285.16907	12.0
293.21069	8.8
349.23694	50.2
350.24249	1.8
355.17542	4.1
411.19986	4.3
419.24432	2.0
429.21136	53.3
430.21881	1.8
492.89740	1.7
493.28094	1.5
523.34625	1.8
541.35211	75.1
542.35419	4.1
559.36224	24.6
703.40466	59.8
704.40192	5.1
721.38947	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	721.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.1
55.01868	26.2
55.05502	29.2
57.03432	12.1
64.13368	1.3
65.03940	2.0
67.05498	53.7
69.03425	15.0
69.07060	35.1
69.07359	0.8
69.53268	2.5
69.53671	8.7
71.04985	7.3
79.05121	0.8
79.05482	41.7
81.03408	69.3
81.06569	3.2
81.07047	61.1
81.67684	1.3
82.42078	1.2
83.04975	24.3
83.08130	2.0
83.08616	27.4
85.02893	14.3
85.06549	2.7
87.04528	1.4
91.05472	61.2
93.07036	45.2
95.01293	8.5
95.04955	24.1
95.08598	29.4
97.02869	15.6
97.06518	49.0
97.10147	8.0
99.04459	3.7
99.08096	2.6
103.05499	2.2
105.07021	77.3
107.04947	23.1
107.08575	23.0
109.02865	11.7
109.06506	7.8
109.10149	11.5
111.04424	7.1
111.08054	9.1
113.06014	1.5
116.06159	2.3
117.07004	15.3
119.08565	49.9
121.06508	6.0
121.10121	16.9
123.04444	3.5
123.08049	5.3
123.11674	3.4
125.09628	5.0
127.03890	8.7
129.05478	4.8
129.06992	12.2
131.08546	29.8
133.06494	3.9
133.10114	48.4
135.08075	5.1
135.11699	9.7
136.34785	1.2
137.09584	5.3
139.07535	3.4
141.06947	4.2
142.07716	1.4
143.08553	7.7
145.06454	3.5
145.10098	20.0
147.08076	3.7
147.11670	23.2
149.09607	12.5
149.13254	3.8
151.11142	2.4
153.12743	2.1
155.08533	5.4
155.10474	1.5
157.10107	12.3
159.08070	2.1
159.11674	14.4
161.09644	2.7
161.13200	6.5
161.83316	1.3
163.11238	7.3
163.12379	1.6
165.09088	2.4
165.12733	2.5
169.10112	4.1
171.11697	4.2
173.04456	3.8
173.09700	1.9
173.13254	5.7
175.11180	7.8
177.12749	5.4
179.14281	14.1
183.11678	4.5
187.11205	3.3
187.35229	1.6
189.12791	1.6
191.10663	2.2
193.12219	21.3
197.13293	2.9
203.44540	1.3
211.13249	27.8
219.17363	2.1
224.55228	1.4
227.12738	4.0
229.12259	1.6
229.14383	2.2
229.19661	2.2
247.20557	3.0
249.14886	2.2
257.16205	1.2
257.18863	8.2
267.15881	18.2
273.18518	2.1
275.20029	100.0
276.20313	1.8
279.15860	3.4
285.16763	6.7
291.19400	2.0
293.21069	8.9
301.14291	1.8
312.80984	1.7
331.22736	2.0
337.16446	2.5
349.23685	50.4
355.17502	4.2
377.95370	1.6
411.20029	6.5
429.21207	23.1
455.14600	1.6
510.01883	1.6
541.35187	55.7
542.35339	3.3
543.67743	1.5
559.36188	27.2
685.39093	3.4
703.40363	62.0
704.40417	6.1
721.41028	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	721.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.2
55.01870	11.2
55.05505	34.2
57.03436	15.1
57.07066	2.8
57.74404	1.3
59.04949	1.7
61.02917	4.2
65.03938	3.5
67.05497	58.1
69.03423	26.9
69.07056	22.9
70.07352	1.6
71.01337	2.9
71.04991	13.6
71.07563	3.7
73.02875	2.5
79.05481	58.0
80.66486	1.6
81.03409	100.0
81.07047	78.3
82.03759	1.7
83.01402	1.6
83.04970	22.7
83.08612	21.6
85.02893	22.3
85.06532	5.9
87.04474	1.9
91.03948	1.8
91.05471	58.9
93.07032	49.5
95.04959	32.8
95.08598	33.2
97.02880	21.3
97.06532	16.0
97.10159	14.4
99.04428	9.9
99.08083	3.2
102.14178	1.4
103.05437	1.5
105.07017	48.4
107.04935	12.1
107.08580	29.5
109.02873	14.8
109.06522	13.8
109.10150	19.1
111.04430	8.6
111.08071	10.0
113.06001	2.6
115.05466	4.7
117.07010	19.7
118.61426	1.5
119.04910	1.9
119.08564	36.6
121.06492	9.8
121.10119	21.0
123.04407	3.2
123.08071	9.8
123.11691	7.1
125.09621	10.9
127.03904	14.2
128.06279	3.0
129.05449	4.6
129.06987	15.9
131.08548	27.5
133.06473	5.6
133.10110	29.8
135.08028	11.6
135.11688	8.4
137.06000	2.2
137.09583	7.0
139.00587	1.6
141.06963	2.8
142.07767	3.8
143.08562	8.5
145.06483	5.8
145.10121	24.0
146.10477	1.6
147.04477	1.7
147.08072	7.8
147.11670	26.1
149.02948	1.7
149.05876	1.7
149.09593	14.4
149.13287	3.9
151.11198	4.1
155.08484	4.0
157.10127	17.7
159.08049	3.2
159.11667	13.8
161.09586	4.8
161.13228	4.2
163.11192	9.4
165.12680	4.1
167.08563	2.6
169.10150	7.2
171.07968	2.0
171.11629	8.1
173.04454	35.8
173.05742	1.7
173.09619	4.8
173.13254	5.9
175.11160	13.8
177.12769	3.8
179.08586	2.2
181.10092	3.5
181.12230	2.5
183.06400	1.6
183.11656	5.1
184.07364	2.5
185.09712	1.7
185.13290	3.9
187.11215	4.3
187.14795	3.5
189.11211	4.9
189.12686	1.9
191.10565	1.7
193.10390	2.8
193.12201	24.7
195.13805	3.4
197.13197	3.9
199.11313	3.3
199.14832	3.1
201.12755	3.0
205.12050	1.6
207.11739	1.7
209.13309	2.8
211.13237	28.3
211.14964	2.5
227.12675	9.2
229.14249	3.1
229.19576	3.5
239.17987	2.2
247.20601	3.3
257.18979	10.4
259.13113	1.8
267.15860	18.2
269.17499	5.3
272.43057	1.5
273.14813	3.2
273.18387	2.4
275.20038	38.0
283.15530	2.5
285.16882	20.3
291.19479	2.4
293.21100	5.4
299.19995	1.8
301.14276	3.9
313.21558	3.1
331.22626	4.3
341.06506	1.8
347.22437	2.3
349.23688	23.7
355.17239	2.8
355.22586	2.5
387.25204	2.1
411.19916	2.0
417.26328	2.8
429.21143	4.5
435.27676	2.3
443.27496	1.9
449.30249	3.7
461.29016	8.6
467.31473	4.4
479.30167	4.6
485.32904	3.3
513.35565	3.4
523.33630	4.1
531.36761	3.9
541.35181	39.7
559.36279	36.8
569.30841	2.1
577.37244	2.8
587.32190	2.5
605.33368	2.7
623.33929	10.9
667.37994	3.8
685.38733	6.7
703.40277	15.9
721.41510	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75810	1.4
53.03940	9.3
55.01865	20.1
55.05502	45.2
57.03432	17.8
57.07082	1.6
59.04998	1.6
61.02916	4.5
61.36349	1.4
65.03932	4.9
67.05495	71.0
69.03068	2.4
69.03420	32.2
69.07059	28.8
70.24860	4.1
71.01344	1.8
71.04979	14.6
73.02895	2.8
77.03895	1.6
79.05482	66.3
81.03407	100.0
81.07046	82.9
83.04967	29.2
83.08604	28.6
85.02890	24.8
85.06518	4.6
91.05471	66.2
92.47209	1.4
93.07033	53.6
95.04955	36.4
95.08593	38.2
97.02879	25.4
97.06531	22.7
97.10153	12.3
99.04446	9.0
99.08089	4.2
103.03893	2.1
103.05449	3.6
105.07018	65.4
107.04957	21.9
107.08585	40.4
109.02866	16.9
109.06514	15.6
109.10146	25.0
111.04418	10.8
111.08074	14.1
111.61728	1.8
113.06001	2.8
115.05454	3.3
117.06998	23.9
119.04954	2.1
119.08559	45.1
121.06467	9.8
121.10128	26.3
123.04402	2.8
123.08053	10.1
123.11702	8.1
125.09621	11.7
127.03894	16.6
128.06235	3.8
128.28058	1.6
129.05490	4.0
129.06984	16.9
131.04860	1.9
131.08536	31.3
133.06482	7.8
133.10106	36.1
135.08049	8.8
135.11673	10.4
137.09599	8.4
137.13245	1.9
141.06987	5.4
142.07774	4.9
143.08551	11.3
145.04877	1.9
145.06471	5.2
145.10098	26.3
147.08040	6.9
147.11662	31.2
149.09592	19.6
149.13286	6.4
151.07558	2.2
151.11177	5.6
153.12717	1.7
155.08542	7.0
157.06374	2.1
157.10101	19.2
159.08018	3.7
159.11679	15.5
161.05920	1.6
161.09645	4.1
161.13264	4.1
163.11137	14.1
165.09103	2.1
165.12724	4.5
167.08537	2.2
169.10121	6.0
171.08035	3.0
171.10289	2.2
171.11588	7.9
173.04433	17.2
173.09598	5.5
173.11844	2.8
173.13168	9.0
175.11160	16.4
175.14743	2.0
177.12704	3.7
179.14339	2.4
181.10115	3.4
181.12184	3.8
183.11697	6.7
185.09607	3.4
185.13264	5.9
187.11122	4.3
187.14799	2.9
189.11174	7.3
189.12747	3.3
191.10692	2.8
193.12221	34.7
193.13855	3.2
195.11713	3.6
195.13763	3.0
197.13260	4.9
199.11086	1.5
199.14755	2.8
201.12825	2.8
205.12206	2.2
207.13756	2.3
209.11633	2.3
211.11354	2.4
211.13257	48.5
211.15236	2.6
212.31998	1.9
213.08978	1.6
213.12692	2.6
217.12296	1.8
219.13692	2.1
225.12788	1.7
227.12718	15.0
229.14322	3.0
229.19476	3.3
235.16875	2.1
239.17935	4.5
247.20546	5.8
249.14787	1.9
257.18973	13.4
267.15915	25.4
269.17459	2.7
273.14276	1.6
273.18457	3.8
275.20029	81.6
283.15369	1.7
285.16928	23.3
291.19537	2.4
293.21161	5.4
299.20038	2.5
301.14172	2.7
313.21957	2.4
331.22607	3.5
337.16678	2.6
341.20947	2.0
343.22830	1.6
345.82800	1.7
349.23657	41.0
355.17322	3.6
359.22150	1.8
367.24564	3.8
383.22025	2.3
393.19174	2.2
409.09106	1.8
409.14441	1.6
411.20084	5.2
419.24323	3.2
429.21133	14.6
437.25201	2.1
449.30203	3.1
457.25769	2.2
461.28738	4.3
467.31500	3.7
479.29944	2.6
485.32654	2.4
493.28018	2.8
513.35284	1.8
523.34247	4.9
531.36487	3.0
541.35217	50.6
542.35455	6.5
559.36273	47.6
560.36676	2.7
577.37152	3.5
583.36218	2.1
601.37628	1.8
623.33893	5.3
649.36475	1.8
667.38324	2.3
685.39087	7.5
703.40405	30.5
704.40277	2.9
721.41431	22.4
722.41339	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	721.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.2
55.01868	18.1
55.05503	35.1
57.03426	13.0
61.02925	2.8
65.03922	5.0
67.05496	65.0
69.03418	21.4
69.07058	26.9
70.18669	5.2
70.19078	2.6
71.01332	1.8
71.04976	10.5
73.02915	2.3
79.05482	68.6
81.03407	100.0
81.07047	74.7
82.07376	1.8
83.04972	27.7
83.08141	2.1
83.08604	30.4
85.02886	20.3
85.06544	4.9
91.05470	65.6
92.05807	2.5
93.06459	3.2
93.07031	59.5
95.01301	2.7
95.04958	35.0
95.08591	38.3
97.02876	21.0
97.06518	24.6
97.09734	1.3
97.10172	15.4
99.04441	9.3
99.08086	4.1
100.04672	1.4
102.50554	1.7
105.03387	1.5
105.07015	58.0
106.07270	2.4
107.04945	23.2
107.08573	36.7
108.08892	2.0
109.02852	11.8
109.06505	15.2
109.10132	20.6
110.86815	1.4
111.04420	12.3
111.08050	9.6
113.05981	3.0
115.05439	4.1
116.06219	2.1
117.07003	22.3
119.04927	2.8
119.08572	48.0
121.06474	9.6
121.10127	25.3
123.04414	3.5
123.08038	6.5
123.11691	5.9
125.05959	1.6
125.09618	12.1
127.03886	12.4
127.07553	1.6
128.06198	3.2
129.05455	5.6
129.06993	17.4
131.08542	33.1
132.08855	2.2
133.06471	5.3
133.10110	33.7
135.08038	8.7
135.11665	11.3
137.09607	6.9
137.13232	1.8
141.06966	4.4
142.07756	4.0
143.08536	10.1
145.04886	2.0
145.06479	5.6
145.10110	26.1
147.04430	2.6
147.08025	6.1
147.11667	33.8
148.11984	2.5
149.09618	18.7
149.13248	4.5
151.11168	3.3
153.09157	2.0
153.12755	3.5
155.08559	6.0
157.06418	2.1
157.10075	18.3
158.07031	1.6
159.08025	3.5
159.11658	16.0
161.09616	5.5
161.13246	6.1
163.11154	14.1
165.12714	2.5
167.08649	2.6
169.10159	7.5
171.08153	1.9
171.11676	9.5
173.04405	14.0
173.09605	3.4
173.11845	2.4
173.13228	8.4
175.11143	13.4
175.14873	2.0
176.11479	2.0
177.12761	3.7
179.10696	2.0
179.14267	1.6
180.88007	1.7
181.10114	2.6
181.12213	3.8
183.11649	5.0
185.09578	2.7
185.13286	4.1
187.11185	5.2
187.14836	3.0
189.11174	6.6
189.12750	4.5
191.10643	2.8
193.12213	31.2
195.11746	3.0
195.13708	1.7
197.09451	2.1
197.13242	4.9
199.14809	3.5
201.12750	2.7
203.14369	1.9
207.13779	3.7
209.13239	2.6
211.13245	41.1
211.15216	2.5
213.12683	2.1
215.14455	1.9
227.12746	12.2
229.14334	4.1
229.19379	3.3
239.18036	3.4
247.20575	5.0
249.14745	2.8
257.18869	10.8
267.15863	31.4
268.16318	5.8
273.18423	1.9
275.20029	68.5
276.20328	2.1
281.17279	8.9
282.17773	6.6
283.15375	2.8
285.16953	16.5
287.19980	2.0
291.19598	1.8
293.21075	6.4
294.21799	1.8
301.14139	2.3
313.21487	1.7
315.23032	2.3
319.22253	1.5
331.22556	2.4
337.16464	3.3
346.12430	1.6
349.19702	2.8
349.23703	42.6
355.17548	4.3
367.24670	2.0
383.22110	3.7
393.19009	2.6
401.23392	2.4
411.19907	3.1
424.32349	1.5
429.20984	16.8
437.25537	2.9
439.27151	2.1
449.30750	2.9
461.28900	2.0
467.31390	2.8
473.28931	6.6
474.29312	19.7
485.32669	2.0
509.27765	1.7
523.34167	3.3
531.36945	2.2
541.35248	50.2
559.36169	37.0
560.36707	2.2
577.36938	2.8
611.35681	1.8
623.34406	2.4
667.38666	3.9
685.38818	5.4
703.40375	33.3
704.40234	2.0
719.42157	1.7
721.41412	16.0
722.41272	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.8
55.01863	1.8
55.05498	10.7
57.03422	10.8
57.07064	30.6
60.19619	1.2
61.02914	2.9
67.05491	25.9
69.03403	1.7
69.07055	15.3
70.75459	2.2
71.04993	3.2
71.08619	23.4
79.05462	10.1
81.03394	1.7
81.07041	65.1
83.04958	5.8
83.08602	13.5
85.02902	4.1
85.06527	5.1
85.10171	14.3
91.05462	16.3
93.07020	9.5
95.04945	2.3
95.08588	27.0
97.02847	2.0
97.06513	5.5
97.10165	3.3
99.08084	3.6
103.07557	1.6
105.07011	23.2
107.08581	8.7
109.06511	3.4
109.10135	9.5
111.08081	1.4
113.06003	1.2
113.41980	1.2
119.08569	20.3
121.10122	15.2
123.08026	4.4
123.11687	26.7
127.07480	2.5
133.10118	3.5
133.72827	1.2
137.13281	3.4
147.11659	53.8
148.11914	1.4
165.12723	18.2
177.42670	1.2
183.13780	2.1
184.07349	2.9
193.12140	2.2
201.39436	1.2
208.67894	1.1
211.13293	2.2
229.14403	3.8
239.23717	3.2
257.24670	2.0
263.20981	1.2
267.15866	81.5
268.16281	2.1
285.16910	93.4
286.17258	2.5
313.27310	96.6
314.27826	3.8
331.28458	2.8
383.71320	1.3
476.20975	2.3
523.39832	100.0
524.39996	5.8
622.26587	2.2
623.28137	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	720.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36413	0.5
51.64090	0.6
53.03922	1.2
53.56742	0.6
55.01859	1.9
55.05257	0.9
55.05500	12.9
56.33056	0.5
57.03428	14.3
57.07067	27.7
59.04984	1.1
60.08149	0.7
60.55434	0.5
61.02918	3.5
63.23208	0.5
65.03912	1.0
66.26148	0.5
67.05490	19.7
69.03423	4.0
69.06709	0.9
69.07054	9.7
69.37514	5.1
71.04977	3.9
71.08622	20.2
73.02917	1.4
79.05477	13.9
80.05814	0.6
81.03402	44.5
81.07042	27.7
83.04969	10.4
83.08604	23.8
83.09107	1.1
85.02889	20.7
85.06540	1.8
85.10165	14.5
85.10572	0.3
86.09689	3.1
87.04420	0.9
89.05987	1.2
91.03944	1.4
91.05468	19.3
91.15427	0.6
93.07030	11.9
95.04955	19.2
95.08585	20.4
95.36469	0.5
97.02879	4.2
97.06516	1.9
97.10157	5.7
98.21580	0.6
99.04450	0.8
99.08118	0.7
99.11707	0.9
100.64616	0.6
103.07530	0.7
105.07013	16.9
107.04932	4.4
107.08567	5.1
109.02794	0.6
109.06496	3.9
109.10141	8.7
111.04430	2.3
111.08061	8.5
111.11691	0.9
113.05983	2.0
115.05503	0.7
117.07022	1.4
117.09084	0.6
119.08562	13.5
121.06512	1.0
121.10114	7.1
123.08045	1.7
123.11720	4.1
125.00008	1.9
125.09626	1.1
127.03896	0.7
129.06987	7.8
131.08528	7.9
133.06451	1.8
133.10115	7.9
135.11647	0.9
137.09625	1.9
137.13219	1.8
142.07779	1.8
145.10092	1.6
147.08022	2.2
147.11667	11.1
149.09564	5.0
151.11089	0.6
154.45880	0.6
157.10080	11.6
157.11281	0.9
163.11102	0.8
165.12779	2.6
175.11154	12.3
184.07298	11.9
193.12215	32.6
195.11620	0.6
211.13261	48.9
219.21109	0.7
231.47324	0.7
239.23753	1.8
249.14745	0.7
257.24695	0.9
267.15866	17.6
285.16910	64.7
286.17325	1.8
313.27304	71.5
314.27731	1.9
437.93829	0.6
465.34613	0.7
505.38797	13.0
523.39850	100.0
524.40063	4.6
676.25183	0.6
720.46912	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63617	0.8
51.20493	0.8
53.03940	1.2
54.86360	0.8
55.05499	7.9
55.75217	0.8
57.03431	8.6
57.07063	16.8
61.02906	2.3
67.05494	12.3
69.03431	2.0
69.07037	5.3
69.42709	8.5
71.04977	2.1
71.08620	13.5
79.05475	6.6
81.03402	29.9
81.06576	1.3
81.07037	16.1
83.04973	5.6
83.08135	1.4
83.08600	15.2
85.02882	10.8
85.06535	1.5
85.10171	8.4
86.09632	0.9
91.03968	1.3
91.05460	10.0
93.07030	6.6
95.04950	12.8
95.08591	13.3
97.02867	1.7
97.06503	1.1
97.10146	4.2
98.64039	0.9
99.08087	1.3
105.07014	7.2
107.04945	1.4
107.08578	3.6
109.06510	2.0
109.10136	5.3
111.04410	1.7
111.08051	5.0
111.11766	0.8
113.05987	1.5
119.08558	8.0
121.10112	5.3
123.08073	1.0
123.11688	2.0
129.06975	3.9
131.08543	3.2
133.06488	1.7
133.10114	3.8
137.13254	1.3
145.10155	1.0
147.07991	1.5
147.11652	5.6
149.09608	2.5
157.10101	5.3
165.12810	1.6
171.51683	0.7
175.11162	6.8
184.07298	2.7
193.12212	22.0
211.13251	32.2
239.23784	1.1
253.14462	1.3
267.15839	8.7
285.16916	32.0
313.27310	38.4
314.24323	1.1
314.27689	2.4
371.89920	0.9
419.18530	1.0
448.21735	1.2
476.21591	4.7
477.22690	0.9
505.38684	7.0
523.39850	100.0
524.40308	5.1
535.23114	1.4
536.23608	2.4
550.81610	0.9
563.26099	1.4
606.59601	1.0
622.27362	3.5
623.18500	1.3
623.28033	20.2
624.28479	1.6
720.47089	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.2
53.03939	11.6
54.05157	1.4
55.01862	15.8
55.05504	38.9
57.03178	1.8
57.03431	15.7
57.07060	2.7
59.04983	3.1
61.02913	2.3
65.03918	6.1
67.05495	96.6
68.05833	1.9
69.03419	29.9
69.06712	2.4
69.07057	32.2
69.53357	6.8
69.53786	4.2
69.87579	1.1
71.01323	2.6
71.04987	14.8
73.02905	2.4
79.05482	61.8
79.65507	1.4
81.03407	100.0
81.07046	74.3
83.04976	24.9
83.08612	24.2
85.02890	23.7
85.06526	6.2
85.55727	1.2
87.04475	1.5
91.05469	70.4
92.05760	1.5
93.07030	53.8
95.04956	38.5
95.08041	2.7
95.08598	36.3
97.02881	25.7
97.06510	16.5
97.10154	19.5
98.19209	1.3
99.04458	8.9
99.08076	2.1
99.92695	1.3
103.03913	2.5
103.05463	4.1
105.07016	54.2
107.04939	23.2
107.08580	40.4
109.02859	20.2
109.06506	15.5
109.10137	37.1
110.10511	1.3
111.04428	13.6
111.08060	12.9
113.05999	2.3
113.09615	1.5
115.05449	4.9
117.06999	23.6
119.04942	3.4
119.08562	38.7
121.06480	13.0
121.10126	21.0
123.04407	7.1
123.08050	14.1
123.11687	6.4
125.02358	1.9
125.05958	3.0
125.09595	10.2
127.03884	15.8
128.06207	5.2
129.05461	3.5
129.06979	19.0
130.07735	2.3
131.04865	3.0
131.08553	29.8
132.05711	1.9
133.06467	13.4
133.10107	29.0
135.04425	3.0
135.08034	11.0
135.11656	12.8
137.05952	1.6
137.09552	11.1
139.07500	1.5
139.11198	1.7
141.06973	6.3
142.07780	5.0
143.03403	2.6
143.08527	13.9
145.06459	7.0
145.10112	23.3
146.10327	1.4
147.04369	2.6
147.08067	11.5
147.11662	20.7
149.05957	2.7
149.09595	16.4
149.13278	3.2
151.11182	6.9
153.09029	2.0
153.12735	5.2
155.08556	7.6
155.10631	1.3
157.06482	2.9
157.10106	17.1
159.08049	5.8
159.11673	11.7
161.06020	2.7
161.09618	10.5
161.13242	4.7
162.98964	1.3
163.11147	12.9
165.06937	1.3
165.09076	2.4
165.12767	4.2
167.08533	3.6
169.06462	1.9
169.10092	5.6
171.08054	2.7
171.10304	2.0
171.11629	7.6
173.04445	18.9
173.05869	2.5
173.09608	8.0
173.11732	5.3
173.13208	2.9
175.07613	2.1
175.11139	14.4
177.09096	3.3
177.12740	5.2
179.08615	2.3
179.10612	3.1
179.14259	1.3
181.10178	3.4
181.12216	3.3
183.07985	2.6
183.11694	4.3
185.09586	4.5
185.13240	5.1
187.07594	1.7
187.11179	5.7
187.14888	1.7
189.09137	2.2
189.11182	6.0
189.12766	4.6
191.10666	6.1
191.14336	1.5
193.12207	23.2
195.11647	3.3
197.13303	2.9
199.05997	1.8
199.11191	4.8
199.13136	1.6
201.12651	2.3
205.10280	1.5
205.12271	2.4
207.11681	2.8
207.13707	2.2
209.11621	3.0
209.13348	2.7
211.11278	1.8
211.13214	26.4
213.12820	3.2
215.10683	1.7
215.14339	1.7
219.13855	1.6
221.11610	1.7
223.11232	2.0
225.12810	2.0
227.12679	13.7
229.14236	10.5
230.14740	1.8
237.12823	2.0
245.19142	1.7
247.13120	1.9
249.14812	2.2
253.14375	3.1
255.17551	2.3
257.19055	3.2
261.18484	1.6
263.20084	3.3
265.14291	1.7
267.15945	13.3
271.17233	2.0
273.15240	2.7
273.18445	19.5
275.17169	2.5
275.20013	19.6
283.15503	3.8
285.16895	9.8
287.19873	1.7
289.14658	1.8
289.17996	2.9
291.19507	22.2
301.14087	2.7
311.20160	4.8
315.19662	1.9
319.15424	2.3
329.21170	6.0
337.16379	2.9
347.22058	10.5
349.23831	5.7
355.17770	2.1
357.11902	1.6
357.20639	1.9
361.58997	1.4
364.32388	1.5
365.23245	4.4
371.22269	1.6
373.18475	1.7
375.18173	1.8
399.21198	1.5
403.24924	3.2
411.20227	4.5
417.22571	2.3
421.25845	3.1
424.27957	1.7
427.19592	2.5
429.20877	1.8
439.26974	2.9
447.27951	2.0
463.36990	1.4
465.29977	3.7
473.25366	2.0
491.26752	2.0
503.33020	1.8
521.32953	1.5
529.35138	3.3
539.33563	16.7
541.35486	2.3
557.34601	32.5
558.34808	2.3
575.36420	9.8
583.31482	3.2
599.35364	1.5
621.33722	1.7
665.36652	1.8
683.37640	7.8
701.38818	20.0
719.39844	61.3
720.40375	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	719.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
53.03937	8.5
55.01858	12.0
55.05500	38.8
55.43645	1.2
57.03428	13.4
57.07059	2.7
59.04979	2.0
61.02913	2.5
65.03929	4.3
67.05492	63.4
68.05807	2.2
69.03411	28.7
69.03760	2.5
69.07053	27.9
70.77869	2.5
70.78226	3.1
71.01332	2.1
71.04981	11.1
71.84334	1.2
73.02897	3.2
79.05478	52.4
81.03403	89.1
81.07040	61.7
82.07347	1.5
82.76261	1.3
83.01339	2.0
83.04956	18.9
83.08608	25.6
85.02419	1.7
85.02898	17.6
85.06531	4.1
91.05463	55.8
93.07023	45.8
94.07351	2.0
95.04945	29.3
95.08591	29.1
96.08907	2.5
97.02875	22.6
97.06524	11.0
97.10141	18.9
99.04450	10.6
99.08083	2.1
101.02346	1.3
103.05418	1.7
105.04498	2.3
105.07011	39.3
106.07330	1.5
107.04919	21.4
107.07848	2.6
107.08572	29.0
107.09278	2.1
109.02867	20.1
109.06505	13.1
109.09430	2.7
109.10130	27.2
110.10473	1.9
111.04422	14.0
111.08060	10.3
113.06023	1.8
115.05444	3.5
117.06999	19.7
119.08555	37.0
121.06499	9.5
121.10116	14.3
123.04408	3.8
123.08048	11.0
123.11711	2.9
125.06010	1.7
125.09598	18.1
127.03890	19.9
127.07542	1.5
128.06192	2.5
129.05452	3.5
129.06976	15.0
130.07774	1.9
131.04941	2.1
131.08545	27.7
132.08907	2.3
133.06477	9.5
133.10098	21.0
135.08022	9.4
135.11665	12.6
137.05984	1.6
137.09598	5.2
141.06975	4.0
142.07750	3.5
143.08534	8.4
145.06442	5.4
145.10077	21.1
147.08040	10.8
147.11681	16.8
148.12070	1.8
149.09573	12.7
149.13266	3.9
151.11133	5.9
153.06989	1.5
153.09059	3.3
153.12740	4.8
155.08551	6.2
157.06482	2.1
157.10103	13.9
159.08035	5.1
159.11649	10.7
161.06047	1.6
161.09605	5.9
161.13254	3.2
163.11153	15.6
165.09113	1.9
165.12694	2.8
169.10139	4.0
171.08064	2.2
171.11662	5.4
173.04445	14.7
173.05859	2.2
173.09596	6.2
173.11688	3.9
173.13274	5.3
175.11134	12.4
177.09061	1.9
177.12679	2.7
178.20529	1.3
178.66405	1.2
181.10130	2.4
181.12234	5.6
183.06557	1.8
183.11668	3.8
185.09631	2.7
185.13272	2.9
187.11176	4.3
189.08937	1.3
189.09662	1.8
189.11200	11.5
189.12715	2.8
191.10664	6.1
193.10541	2.5
193.12221	20.1
195.11755	2.0
195.13789	1.5
197.13330	2.7
199.11179	2.1
201.12762	2.8
205.12163	2.6
205.40115	1.5
209.09767	1.5
209.11674	4.5
211.11331	1.4
211.13228	34.0
212.13647	2.3
218.18126	1.3
223.11307	2.8
223.13278	8.7
225.12836	1.6
227.12727	27.4
229.12228	2.2
229.14355	13.4
230.14687	5.6
239.18044	1.6
241.10454	1.6
245.13673	1.4
245.19008	2.8
247.13199	1.8
249.14951	1.7
253.14374	2.7
257.19049	4.4
263.20084	2.0
265.14334	1.6
267.15854	15.7
269.17413	2.8
273.18448	22.6
275.19974	27.8
275.22662	1.8
283.15329	12.9
285.16849	6.3
287.20102	1.6
291.19498	61.1
293.21167	4.0
301.14340	5.0
313.21671	3.2
329.21179	1.9
331.22845	2.3
337.16544	3.3
347.22186	8.9
349.23727	13.7
350.24054	2.6
353.16040	3.0
353.20856	1.4
355.17416	3.5
365.23447	6.4
371.22018	2.0
373.23621	1.6
399.21811	2.0
410.26077	3.3
411.19977	6.4
419.24353	2.3
423.27139	7.9
424.27744	15.7
427.19629	5.0
429.21075	2.2
435.23593	3.7
437.25464	3.1
445.26166	3.6
447.28589	1.5
463.26776	1.6
465.29904	2.7
475.27008	1.6
477.28986	2.0
504.33951	3.3
528.37665	4.0
529.35284	2.0
539.33777	15.3
557.34619	43.4
557.42700	2.7
558.34979	2.4
575.35620	11.0
599.35858	2.7
621.31866	2.1
665.36688	3.2
671.37665	1.6
683.38092	7.5
701.39001	25.0
702.39502	2.7
719.39795	100.0
720.40167	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	718.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01860	1.9
55.05260	1.5
55.05503	20.1
57.03426	13.4
57.07064	5.0
61.02926	3.4
61.36624	0.7
65.03933	1.9
67.05493	26.2
69.03419	3.6
69.07056	25.4
70.68793	2.2
71.04965	3.1
71.08616	2.0
73.02903	1.5
79.05480	19.3
79.08805	0.8
81.03403	37.9
81.06571	1.7
81.07047	33.2
82.07358	0.8
83.04970	9.7
83.08604	28.5
85.02892	20.1
85.03413	0.7
85.06533	2.2
85.10146	0.7
86.09692	2.8
91.03947	2.0
91.04890	0.9
91.05460	16.5
93.07024	19.5
95.04951	16.0
95.08588	18.9
95.15170	0.7
97.02859	4.1
97.06526	4.3
97.10149	9.8
98.20843	0.9
99.08073	1.4
105.07018	13.9
107.04934	5.1
107.08580	10.7
109.06504	4.2
109.10140	7.1
111.04396	1.6
111.08054	8.0
111.11687	2.1
113.05990	2.4
115.05377	1.2
119.08557	11.8
121.06467	1.2
121.10124	15.2
123.08070	1.9
123.11676	3.5
124.99979	1.6
125.09606	2.9
128.06195	1.1
129.06995	6.2
131.07671	1.1
131.08557	7.6
131.82843	0.7
133.06491	1.7
133.10123	8.0
135.11688	5.9
137.09563	1.7
137.13271	1.4
142.07797	1.2
145.10092	2.1
147.08038	1.7
147.11670	10.1
149.09636	4.5
149.13234	2.9
153.12720	0.9
157.10120	8.5
163.11218	1.2
163.14772	1.4
165.12793	2.2
169.51616	0.8
175.11162	10.2
184.07318	8.8
191.57771	0.7
193.12212	28.1
194.12538	0.8
201.72049	0.8
211.13260	48.8
212.13608	0.8
219.21101	1.2
237.22105	1.7
267.15878	16.5
285.16916	69.7
286.17276	1.8
311.25748	70.3
312.26187	3.0
503.37308	13.9
503.43863	0.5
504.37271	0.8
515.61761	0.7
521.38312	100.0
522.38635	6.8
704.02081	0.8
718.46509	1.4
719.42334	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00763	1.0
55.01846	2.5
55.05509	9.3
56.64035	1.0
57.03427	7.3
57.07070	26.0
59.91086	1.0
61.02915	1.1
67.05491	18.0
69.07056	10.5
69.87304	6.4
71.04989	1.9
71.08620	19.7
73.02898	1.5
79.05470	13.9
81.03416	2.8
81.07040	22.9
83.04969	2.0
83.08605	10.3
85.10175	10.5
86.09689	1.4
89.06026	2.6
91.05479	3.8
93.07027	24.2
95.04971	3.6
95.08588	39.3
97.02867	2.9
97.06520	1.8
97.10156	3.6
98.21004	3.0
99.04453	3.3
103.07552	1.3
105.07018	4.4
107.04952	5.7
107.08569	20.7
109.06446	1.4
109.10154	7.1
109.10798	1.1
111.04460	1.5
117.06989	5.8
119.08549	6.9
121.06477	3.8
121.10133	10.0
123.11696	3.0
125.05959	2.6
133.10118	2.8
135.08000	1.4
135.11679	40.3
137.13255	1.5
145.10095	22.0
163.11157	49.8
164.11516	2.1
174.41777	1.0
177.11287	1.2
177.16502	0.9
181.12221	9.6
184.07300	3.4
196.24002	1.0
198.05699	1.0
209.11726	1.3
217.09097	1.3
227.12749	59.3
228.13043	3.0
239.23564	1.9
257.24872	1.7
261.67249	1.1
283.15347	92.5
284.15726	3.6
313.27307	97.0
314.27789	5.0
336.66022	1.0
440.95068	1.1
447.21539	1.6
475.21240	4.2
521.38330	100.0
522.38684	9.6
535.23071	2.0
562.25165	1.4
622.27667	17.5
718.47369	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	718.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02633	1.3
53.03939	1.4
55.01852	5.1
55.05503	11.0
57.03424	15.3
57.07068	30.1
59.04984	2.3
61.02917	5.3
67.05494	14.7
69.03399	1.7
69.07061	9.7
71.04987	2.7
71.08622	25.3
73.02911	1.3
73.06576	1.1
75.40344	1.1
79.05480	13.4
81.03395	7.5
81.07050	23.6
83.01331	7.5
83.04971	8.6
83.08604	18.2
85.02887	7.5
85.10169	12.6
86.09695	1.5
89.06011	1.8
91.03931	2.5
91.05466	8.5
93.07030	18.3
95.04935	3.8
95.08592	19.5
97.02869	4.2
97.06523	3.0
97.10151	6.4
98.20876	8.5
98.21581	2.7
99.04433	3.3
105.07010	6.2
107.04922	6.5
107.08578	8.0
109.06503	4.8
109.10127	9.8
111.04437	2.0
111.08054	1.3
111.11749	1.3
117.07007	3.8
119.08558	7.4
121.06467	3.5
121.10130	6.9
123.08100	5.9
123.08865	1.3
123.11639	1.8
125.00016	2.4
125.05936	1.3
130.07794	1.3
131.08545	3.6
133.10080	1.3
135.07988	1.8
135.11644	9.1
145.10127	14.4
147.07988	1.5
153.12766	2.3
155.08495	1.2
163.11160	20.5
173.09570	3.6
181.12248	2.8
184.07355	6.1
185.07675	1.8
191.10658	2.1
209.11694	3.6
227.12726	2.3
230.71150	1.7
239.23657	1.3
257.24588	2.2
283.15356	100.0
284.15677	3.0
313.27325	73.0
314.27628	3.8
379.35181	1.1
429.98068	1.2
521.38312	51.4
522.38507	3.0
556.48175	1.2
718.47101	14.2
719.45538	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.2
56.05032	0.7
57.07059	0.2
58.06618	0.5
60.08152	6.3
67.05463	0.4
67.69823	0.1
69.55725	1.1
71.07363	3.0
71.08601	0.2
79.05459	0.2
81.07033	0.3
86.09692	30.8
87.10007	0.4
91.05444	0.2
93.07001	0.2
95.08577	0.4
98.98447	2.6
104.10719	2.4
107.08549	0.1
109.10156	0.1
119.08512	0.2
123.29063	0.1
124.99983	20.2
126.00340	0.1
143.01065	0.5
147.11726	0.1
149.72029	0.1
166.02631	0.2
175.11072	0.2
184.07312	100.0
185.07668	1.2
216.82567	0.1
229.36330	0.1
284.62860	0.1
311.25897	0.2
313.27368	0.4
496.34079	0.2
521.38116	0.3
718.46460	9.3
719.47351	0.9
730.38696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60712	0.8
53.03938	2.9
55.01869	6.2
55.05503	16.9
57.03432	13.3
57.07071	1.8
59.04998	3.1
61.02909	4.1
65.03930	2.9
67.05494	100.0
69.03419	7.4
69.07054	17.2
70.35161	2.4
70.35493	0.8
71.04984	4.9
73.02905	1.1
79.05481	24.9
81.03403	9.1
81.07045	39.9
83.04967	6.3
83.08608	12.1
85.02883	6.5
85.06535	4.4
91.03941	1.9
91.05463	26.5
92.05801	0.8
93.07031	28.5
95.04945	6.4
95.08594	19.1
97.02885	4.1
97.06525	8.1
97.10147	8.5
98.20834	0.9
99.04448	1.1
99.08081	1.9
103.05476	0.8
105.06417	0.4
105.07015	18.1
107.04951	5.5
107.08584	19.8
109.02890	2.4
109.06486	3.1
109.10139	73.8
110.10523	1.1
111.04449	1.6
111.08040	5.2
113.05994	1.0
113.09642	1.6
115.05460	1.2
117.06994	9.6
118.07357	0.6
119.08561	17.5
120.08928	0.7
121.06486	3.2
121.10133	9.0
123.04384	1.2
123.08086	2.6
123.11703	1.8
125.09616	7.1
127.03907	2.5
129.05473	1.3
129.07010	2.5
131.08534	9.1
133.06490	1.1
133.10112	12.0
135.04362	0.7
135.08089	3.4
135.11659	7.1
137.09621	4.4
139.07423	0.7
141.06963	1.3
143.08531	3.8
143.10670	0.8
145.06516	0.9
145.10094	8.8
147.08022	1.0
147.11664	6.7
149.09602	9.0
149.13220	4.8
150.23152	0.7
151.03862	0.8
151.11179	1.0
155.08562	1.3
155.10609	4.5
157.10143	2.8
159.08107	1.5
159.11674	7.5
161.09653	0.8
161.13246	1.9
163.11179	5.6
165.09074	0.7
165.12811	0.8
169.10159	1.4
171.10323	1.0
171.11760	1.9
173.04504	3.0
173.09607	1.2
173.10103	1.3
173.11726	20.8
173.13205	2.6
175.11162	0.9
175.14876	1.0
177.12773	2.1
179.14307	2.0
181.12305	0.8
183.11723	1.2
185.13280	1.4
187.14792	0.9
189.11195	4.8
193.12242	0.8
195.13831	2.0
197.13287	1.0
211.13316	1.3
227.12730	16.7
227.14839	1.0
229.14305	72.5
229.19295	1.4
230.14700	1.5
235.17036	0.8
239.18008	1.6
245.13736	0.7
246.11586	0.8
247.20612	1.6
255.15849	5.5
257.18979	7.4
267.15936	1.5
269.17413	10.7
269.20023	0.8
273.18613	1.2
275.20020	22.9
276.20517	0.9
283.15607	0.9
291.19604	1.4
293.21259	2.3
325.20200	1.6
331.22733	2.2
349.23691	23.9
367.24802	1.8
383.24078	0.8
389.18207	0.9
399.23865	6.5
405.26663	1.0
407.28110	2.6
409.25812	15.6
413.21667	0.8
423.27359	56.2
424.27863	2.2
440.30273	0.8
463.30527	1.6
485.33054	1.9
503.33603	40.7
504.33957	2.2
521.34808	6.6
543.27722	1.5
557.34692	2.4
567.31610	3.1
718.38306	0.9
719.40173	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01863	5.3
55.05501	18.8
57.03426	9.2
59.04981	3.4
61.02892	2.7
64.32547	0.9
65.03931	2.4
67.05495	86.8
69.03411	7.2
69.07059	23.0
69.58039	5.8
69.58466	2.4
71.04974	3.6
79.05482	16.3
81.03407	4.6
81.07049	22.0
83.04955	2.9
83.08610	11.8
85.02872	3.3
85.06510	3.2
88.40685	1.1
91.03925	1.5
91.05466	17.6
93.07026	16.5
95.04962	7.2
95.08601	11.8
97.02876	7.5
97.06526	2.5
97.10155	9.0
98.21490	1.9
105.07015	9.6
107.04935	3.9
107.08573	10.7
109.02814	1.5
109.06499	2.9
109.10141	65.1
110.10518	1.2
110.94225	0.9
111.08068	4.9
117.06981	5.1
119.04915	2.8
119.08570	13.4
121.06467	3.2
121.10112	3.9
123.08021	3.1
125.09613	7.7
128.06187	1.4
129.06998	2.7
131.08524	4.8
133.06442	2.1
133.10106	5.4
135.08029	2.7
135.11667	3.4
137.09586	4.2
143.08566	2.4
145.10100	4.7
147.08026	4.6
147.11656	2.4
149.09570	1.8
149.13266	1.6
155.10657	2.5
157.10078	3.3
159.11652	1.8
161.09514	1.5
163.11145	2.5
165.09094	1.5
171.11658	1.8
173.09488	1.2
173.11725	16.7
173.13168	1.9
175.11139	2.6
177.12762	1.9
184.07332	3.1
189.11192	3.0
193.12199	1.6
195.13751	1.3
205.12105	2.1
211.13161	1.3
223.13248	16.1
227.12721	4.8
229.14317	69.8
230.14722	2.3
249.14954	1.2
253.14288	4.0
273.18427	10.6
291.19504	75.1
292.19937	2.5
347.22162	1.4
365.23187	34.8
366.23572	1.7
415.36572	1.1
439.26807	3.3
501.32248	1.4
519.33130	100.0
520.33380	6.9
709.91248	1.1
716.32611	2.1
716.44958	1.5
717.46753	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95426	0.3
55.05492	0.5
56.05015	0.6
60.07869	0.4
60.08149	5.6
61.24426	0.3
64.97922	0.3
67.05481	1.3
69.07036	0.6
69.68977	1.9
71.07357	2.6
79.05461	0.6
81.07045	1.0
86.09689	28.5
90.53660	0.3
91.05454	0.8
91.30929	0.3
93.07023	0.7
95.08602	0.7
97.04790	0.3
98.98436	2.4
104.10713	2.2
109.10157	0.6
109.25970	0.3
124.99985	19.5
133.10101	0.4
143.01030	0.7
166.02672	0.4
184.07307	100.0
185.07684	0.9
210.78087	0.3
296.14526	0.3
509.61395	0.3
535.54077	0.3
569.63269	0.3
590.90009	0.3
714.46820	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	714.5498
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03935	0.7
55.05505	4.7
56.05040	3.4
57.07082	2.7
58.06587	0.6
60.04523	2.2
65.03929	0.4
66.10944	0.3
67.05497	9.4
68.05009	1.0
69.03415	0.7
69.07061	6.5
70.06577	1.7
71.08614	1.2
75.65222	0.3
76.03995	0.4
79.05483	8.6
80.05022	2.3
81.03396	0.7
81.05779	1.3
81.06570	0.6
81.07047	10.3
82.06569	6.4
83.04982	0.3
83.08595	3.9
84.08112	0.4
84.18569	0.3
85.02898	2.5
85.10159	1.0
89.50809	0.3
90.91969	0.4
91.05465	7.5
93.05753	0.4
93.06454	0.6
93.07032	9.0
94.06557	14.7
95.04954	0.9
95.07343	6.8
95.08599	7.0
96.08128	4.6
97.02865	0.6
97.06483	0.3
97.10154	2.6
98.06011	0.6
98.21490	0.9
99.30396	0.3
105.06370	0.5
105.07021	5.0
107.08577	4.6
108.08105	2.5
109.10135	2.9
110.09673	0.7
111.11708	1.0
119.08565	5.6
121.10123	6.4
122.09638	2.3
123.11684	1.5
127.03870	0.5
133.10115	3.6
135.10498	0.6
135.11655	2.6
136.11185	1.1
137.13206	0.9
138.34265	0.3
147.11682	1.3
149.13246	1.1
151.14873	0.6
161.13255	0.8
163.14784	0.8
181.24724	0.3
184.20798	0.3
191.17970	0.5
193.19487	0.5
195.25389	0.3
219.21048	1.0
233.22620	3.6
234.22165	0.5
242.54036	0.4
245.22617	4.0
250.25281	7.8
254.24750	0.9
260.23724	0.4
262.25269	100.0
263.23297	0.8
263.25803	2.3
264.26767	0.6
271.06378	0.3
272.25842	4.8
280.26321	7.6
282.24036	0.3
312.25500	0.5
358.49042	0.4
442.31628	0.4
467.01877	0.4
504.47723	6.0
516.47705	34.2
517.47919	1.3
518.49261	6.0
534.48743	22.0
534.55505	0.2
535.48907	1.0
696.42609	0.5
696.53937	7.1
697.54144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22909	0.9
53.03933	1.2
55.05510	5.8
57.03429	1.8
57.07058	2.9
59.04998	1.3
59.93561	0.9
60.04520	0.9
61.02911	2.2
67.05501	9.5
69.03425	6.8
69.07063	9.7
69.68138	4.3
69.68555	2.0
71.04962	2.4
74.52032	1.0
76.03825	0.9
77.03902	1.0
79.05484	13.2
81.03387	2.9
81.06567	1.9
81.07041	33.0
83.04961	1.2
83.08609	4.5
85.02409	1.3
85.02895	13.9
85.06528	2.9
87.04428	1.1
91.03918	1.5
91.05459	15.2
93.06463	1.3
93.07030	23.0
95.04954	3.1
95.08592	27.4
97.02874	6.0
97.06510	4.7
97.10159	2.1
97.65530	1.1
98.20781	1.9
99.04420	1.4
99.08079	32.2
99.08739	1.6
103.05470	2.2
103.06105	1.1
105.07015	43.9
107.04980	2.1
107.08579	60.6
108.08900	0.9
109.02858	1.4
109.06498	4.8
109.10137	14.8
109.36924	0.8
111.04417	1.7
111.08057	4.1
111.11713	1.1
113.05984	0.9
114.95890	0.9
115.03843	1.0
115.05411	1.4
117.06993	5.0
119.08562	80.0
121.06486	9.6
121.10123	22.3
121.11003	1.1
123.08056	8.1
123.11700	7.7
125.05936	2.6
125.09608	1.2
127.03893	3.6
127.07516	3.4
128.06155	1.8
129.06950	4.4
130.07756	1.2
131.04961	0.8
131.08546	52.4
133.06450	3.4
133.10110	39.3
135.08022	7.5
135.11681	15.4
137.05956	7.4
137.09599	3.6
137.13232	10.3
139.07532	1.2
140.14375	1.0
141.07016	1.1
142.07730	2.9
143.08537	15.0
144.06557	1.5
144.09329	1.4
145.04936	2.7
145.10098	46.2
147.04330	2.7
147.08051	7.6
147.11665	44.3
149.09538	4.3
149.13213	8.8
151.03859	1.4
151.07498	1.8
151.11188	1.8
153.09119	1.2
155.08537	3.3
155.14285	5.6
156.09361	4.7
157.10097	20.0
158.10817	2.7
159.08003	1.6
159.11674	28.7
161.05957	2.6
161.09598	6.9
161.13229	26.8
162.07602	2.8
163.07520	1.8
163.11172	8.9
163.14807	11.5
165.09100	0.9
165.12712	3.6
165.65666	1.0
167.07037	11.7
169.10089	8.0
170.10922	5.4
171.07964	1.1
171.11668	20.9
172.12395	1.9
173.09590	1.5
173.13234	50.6
174.13377	1.0
175.07587	2.4
175.11261	4.4
175.14793	31.9
177.05487	1.5
177.09052	1.5
177.12697	4.7
177.16376	3.6
179.06985	1.1
179.10779	1.1
179.12730	1.3
179.14276	15.9
180.08603	6.8
181.04955	1.3
181.08618	2.1
181.10109	2.3
182.10872	1.1
183.11679	9.9
183.13565	1.7
184.07295	1.3
184.12389	0.9
185.09647	1.4
185.13234	33.0
186.13536	1.1
187.11186	2.3
187.14795	60.9
189.09064	1.5
189.12703	9.2
189.16382	7.3
191.06953	1.6
191.14278	35.3
193.08557	1.2
193.12137	1.3
193.15851	3.3
195.11661	4.8
195.13577	1.9
197.13228	9.9
199.11266	2.3
199.14795	25.1
201.12704	2.8
201.16359	45.1
203.14291	15.7
203.17912	3.1
205.15829	5.9
205.19412	2.1
207.13721	2.4
207.17400	1.8
209.13240	3.0
209.15240	1.8
211.13049	1.1
211.14818	10.9
213.12714	2.9
213.16345	5.9
215.14276	5.3
215.17860	1.2
217.12241	2.1
217.15831	12.5
219.11874	1.0
219.13812	4.7
219.17392	15.5
221.13321	1.5
221.15271	6.0
221.18974	1.4
223.14830	2.0
225.16402	3.9
227.14259	2.1
227.17929	2.9
229.08357	1.2
229.15819	3.7
231.13835	2.2
231.17221	1.0
233.15311	2.1
235.13164	17.7
237.16515	1.8
239.17905	2.8
241.15851	1.6
241.19479	1.9
243.13858	1.4
243.17410	2.5
245.15390	1.7
247.16939	2.0
249.14796	2.7
251.16272	3.1
251.18210	1.8
253.14253	3.5
253.19507	2.7
255.21034	1.1
261.14734	1.6
263.16171	1.9
267.15588	1.5
267.21066	0.9
269.18826	1.2
277.19400	1.7
285.22028	1.3
297.08060	0.9
305.22556	1.8
317.22586	1.7
319.23486	1.5
319.26788	2.2
321.22177	1.7
323.23700	1.4
331.18893	1.8
331.23502	0.9
335.23615	2.1
337.27206	3.7
351.26862	1.3
355.28436	6.4
367.22720	1.0
371.27274	1.1
373.28894	9.9
375.30341	1.3
381.24173	2.7
383.26038	1.4
389.28317	10.2
391.29861	16.5
392.30527	1.0
393.31799	4.3
399.25272	5.5
401.27646	2.0
407.29361	12.0
409.30917	21.3
410.31119	1.0
411.32529	2.9
417.27954	5.6
419.29254	7.4
425.30286	3.2
427.32043	6.5
435.28885	11.6
437.30466	16.4
453.29950	22.1
454.30215	1.6
455.31491	41.1
456.31723	2.3
463.28189	1.9
471.31006	100.0
472.31226	3.5
473.32529	14.3
481.29404	5.5
489.32092	31.4
499.30554	11.9
517.31354	7.9
534.29980	1.2
535.32355	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
54.28822	0.5
57.03434	0.9
61.02914	0.8
61.24863	0.5
63.32324	0.5
65.40427	0.6
67.05503	0.7
69.03420	3.4
69.35697	0.4
70.08869	2.7
73.02926	0.8
73.09408	0.5
79.05470	0.9
81.03412	2.3
81.07053	0.6
85.02888	4.8
87.04451	0.6
91.05441	0.6
93.07023	1.5
94.06535	2.7
95.07363	1.2
96.08128	3.0
97.02863	2.7
99.04389	0.5
107.07348	1.0
108.04484	0.7
108.08101	6.6
109.02888	1.0
110.05996	0.5
110.09663	5.2
111.04417	0.5
112.07697	0.5
116.84248	0.6
120.04460	2.0
120.08076	5.4
122.06033	5.7
122.09638	3.3
124.07606	1.0
127.03907	1.5
132.08083	0.8
136.07550	9.5
136.08527	0.7
137.05966	1.3
137.08386	0.6
138.09113	8.2
146.05983	1.9
148.07547	5.1
150.09114	7.4
152.07086	1.6
162.09148	0.7
164.07057	2.2
165.99025	0.5
166.08609	17.9
167.07051	0.6
172.04015	0.9
176.10689	0.6
184.10005	0.6
190.05020	0.9
194.06543	0.6
194.08141	2.3
197.10742	1.2
209.10718	1.2
211.08582	0.6
211.12225	0.7
212.09464	1.3
213.10316	1.1
214.22650	0.5
221.10629	0.9
223.08650	1.2
223.12354	1.2
224.09392	1.2
225.10184	3.6
226.10950	0.9
227.11810	2.2
233.10733	0.9
235.08717	2.0
235.12361	0.6
236.09438	1.7
237.10196	9.1
238.10927	1.5
239.08127	0.8
239.11769	4.2
241.09677	1.2
248.09355	1.2
249.10146	7.6
250.10919	2.5
251.08078	2.5
251.11743	7.4
252.08882	0.7
252.12581	1.5
253.09662	5.8
253.13446	0.9
254.10381	0.7
255.11253	3.3
261.10165	5.2
262.11063	2.3
263.07993	0.5
263.08698	0.6
263.11749	7.5
264.09119	0.9
265.09665	12.3
266.10480	1.6
267.11203	7.0
268.11792	0.9
269.09470	0.7
269.12781	0.6
271.10556	1.3
273.12311	0.9
274.07019	0.6
277.09698	4.7
278.06683	1.0
278.10519	5.7
279.07727	1.9
279.11212	16.4
280.08749	0.5
280.11920	2.7
281.09521	2.6
281.12360	2.5
282.10071	1.0
283.10745	6.9
284.11380	0.6
285.12338	1.3
287.13824	0.8
289.09637	12.3
291.11209	4.0
292.08432	0.7
292.11893	0.8
293.09238	5.3
293.12888	5.1
294.10049	4.0
294.13187	0.9
295.10703	6.1
296.11545	4.3
297.09290	0.9
297.12192	3.7
299.10312	1.7
305.09213	0.7
306.09946	0.9
307.10654	5.6
308.11588	1.7
309.09036	0.9
309.12241	4.8
310.13010	0.8
311.10239	5.4
311.13943	2.9
312.10947	2.9
313.11807	3.2
314.12750	1.1
317.09222	2.2
321.08743	0.9
321.12204	1.2
323.10266	1.9
323.13934	3.4
324.11029	2.5
325.11658	4.4
326.12399	4.4
327.13342	6.7
328.14288	0.6
335.10181	21.6
335.14154	1.2
337.11633	3.5
339.09787	1.9
339.13318	49.3
340.10571	3.7
340.14029	2.0
341.11328	3.7
341.14938	1.4
342.15994	1.1
351.09781	0.8
352.10413	1.3
353.11230	8.3
353.15128	1.0
354.12027	6.5
355.12808	19.5
355.17206	1.0
367.12802	39.4
368.13464	1.1
370.15417	1.0
381.14233	0.8
399.15121	0.6
400.16537	0.8
402.18170	0.7
414.18201	1.0
419.12451	0.6
429.16986	0.6
430.17798	0.7
432.19223	1.4
442.17554	1.7
444.19434	1.0
460.18616	4.5
470.17288	1.7
472.18243	1.2
474.20129	1.4
478.19797	2.2
479.20526	0.9
488.10959	1.2
488.18054	24.3
492.21317	2.0
497.15338	0.9
502.19739	1.4
506.19116	14.9
520.20709	26.9
521.20844	0.8
534.18671	2.1
552.23773	0.7
622.24176	1.2
632.22534	2.0
650.23279	13.3
650.90594	0.6
664.24738	2.1
682.25897	100.0
683.26031	4.0
714.28314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98632	0.1
55.05499	0.3
56.05018	0.5
56.92831	0.1
57.03414	0.1
58.06618	0.5
59.07369	0.2
60.08157	5.9
63.26183	0.1
65.36567	0.1
67.05492	0.6
69.07045	0.3
70.75707	0.4
71.07363	3.0
79.05479	0.6
81.03403	0.2
81.07055	0.7
83.04948	0.2
83.08596	0.2
86.09695	28.7
87.10016	0.2
91.05453	0.4
93.07026	0.7
95.04953	0.2
95.08598	0.3
98.98452	2.3
99.04450	0.1
104.10734	2.1
105.07004	0.3
107.08559	0.4
108.08858	0.1
109.10177	0.2
117.98000	0.1
121.10104	0.2
124.99989	19.3
131.08498	0.1
133.10057	0.1
135.11700	0.2
143.01039	0.2
157.09967	0.1
166.02654	0.4
184.07318	100.0
185.07669	1.1
201.90497	0.1
244.05940	0.1
320.96509	0.1
500.31870	0.2
532.54871	0.1
535.81213	0.1
712.45367	6.2
713.45490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01856	1.5
55.05499	11.5
57.03431	12.1
57.07060	2.2
59.04984	0.6
61.02910	2.2
64.90629	0.5
65.03933	1.4
67.05494	47.8
69.03413	1.3
69.07056	11.0
69.73279	3.8
71.01343	1.5
71.04982	3.3
71.08623	0.7
73.02874	0.8
79.05480	36.7
81.03399	2.1
81.07045	33.5
83.04971	5.9
83.08617	4.4
85.02879	2.3
85.06518	2.9
86.09721	0.5
91.03922	0.6
91.05468	16.3
93.07030	41.8
95.04946	5.0
95.08590	22.8
95.09227	0.6
97.02863	1.5
97.06515	6.6
97.10156	6.6
98.21596	0.5
99.04430	0.8
99.08080	1.5
103.05412	0.6
105.04495	0.7
105.07011	7.5
107.04926	0.9
107.08577	26.5
109.06525	1.5
109.10140	11.2
111.08080	1.9
117.06989	4.6
119.08558	8.9
121.06482	0.9
121.10126	12.1
123.11709	2.7
125.09592	1.6
131.08548	5.5
133.10117	6.2
135.08115	0.8
135.11667	31.4
137.09592	1.3
137.13210	0.5
143.08540	0.9
145.10094	7.9
147.11661	3.4
149.13257	3.3
151.11148	1.0
153.12740	1.6
157.10156	0.7
159.11678	2.7
161.13260	2.5
163.11136	2.8
163.14792	1.4
171.11731	0.8
173.13203	2.7
175.14870	1.2
181.12216	5.7
184.07350	1.7
187.14819	1.1
199.13245	1.3
199.14949	0.6
243.21118	2.9
253.14334	2.1
255.15871	51.7
256.16254	1.3
261.22083	9.0
299.24057	0.7
317.24716	1.6
333.24060	0.7
335.25748	43.4
336.26227	2.0
341.34372	0.6
355.01587	0.6
423.32590	1.8
441.33408	1.5
467.37259	1.6
515.37256	100.0
516.37720	6.7
533.38342	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55801	0.4
52.83535	0.4
53.00303	0.4
53.03933	0.9
55.01857	0.9
55.05510	2.2
55.26460	0.4
55.78169	0.3
56.05826	0.4
57.03418	2.0
61.34106	0.4
65.03930	0.6
67.05213	0.3
67.05499	4.3
68.05827	0.5
69.03419	3.1
69.07048	1.5
69.70255	2.7
70.06596	0.5
71.04983	40.8
72.05296	0.4
79.05484	3.5
80.05819	0.9
81.03407	12.2
81.07050	4.4
82.03339	0.3
82.03718	1.9
82.07372	0.4
83.04956	1.7
83.08617	2.6
84.08935	0.4
85.02892	4.4
85.06004	0.4
85.06522	7.5
86.09669	0.9
89.86016	0.4
91.05472	8.1
92.05791	0.9
93.07018	3.0
93.19439	0.4
94.04188	1.1
94.07338	0.7
95.04961	6.6
95.08601	1.8
96.05283	0.8
96.08893	0.5
97.02859	3.9
97.06519	0.9
97.10134	0.4
98.20770	0.5
99.04420	0.8
103.05447	1.4
103.07578	0.6
105.07010	3.5
106.07338	0.9
107.04951	2.8
107.08611	2.0
108.04439	1.0
108.05194	0.5
109.02856	3.3
109.06476	2.2
109.10133	1.8
111.04434	0.9
111.08054	1.4
113.05983	6.1
115.03897	1.2
115.05471	0.9
117.06998	0.8
119.04945	4.2
119.08565	2.3
120.08904	0.7
121.06448	2.0
121.10139	1.3
122.03635	1.4
122.10453	0.5
123.04414	0.6
123.08042	1.1
123.11640	0.6
124.99983	0.6
125.09593	0.7
127.03928	2.7
127.07539	20.0
128.06184	0.6
129.06995	3.6
130.07297	0.6
131.04927	3.1
131.07025	9.8
131.08511	2.3
133.06448	1.4
133.10068	2.1
135.08029	1.4
135.11674	0.5
136.05154	1.2
137.05957	29.1
137.09581	0.8
138.06296	0.8
141.05414	0.6
143.08496	0.5
145.04883	1.8
145.08575	100.0
146.08919	1.6
146.10168	0.4
147.04402	0.9
147.08080	1.0
147.11676	1.7
148.11964	0.5
149.05972	3.6
149.09622	1.2
151.03876	1.6
151.07521	27.0
152.07903	0.6
153.01768	0.5
155.07010	1.7
157.06480	3.2
157.10104	1.7
158.10443	0.9
159.11682	0.8
161.05960	5.3
161.09636	0.8
162.06709	0.5
163.03838	0.4
163.07535	11.6
163.11131	0.8
165.07028	0.8
165.09149	1.1
165.12753	0.8
167.07005	1.5
167.08578	2.3
169.04904	0.4
173.08090	1.6
174.06723	1.6
175.06111	0.6
175.07536	3.2
175.11162	1.3
176.11469	0.8
177.05530	0.9
177.09099	7.4
178.07755	0.7
178.09413	0.4
179.07053	0.6
179.08510	0.7
181.04967	0.9
181.06432	0.7
184.07355	3.8
185.08060	0.9
187.06047	0.5
187.07545	1.1
189.05455	0.5
189.07356	0.7
189.09079	9.4
191.07187	0.9
191.09102	9.4
191.10764	0.8
193.06451	1.1
193.08444	0.4
193.10156	1.3
193.12218	2.9
194.12546	1.3
195.08046	5.2
195.09973	0.9
195.12820	0.5
197.05984	0.6
197.09552	0.6
199.07629	0.7
203.06973	1.1
203.08713	0.6
203.10625	0.4
205.08501	0.6
206.07011	0.4
207.10141	1.7
209.07921	0.9
209.09674	1.0
210.06691	0.5
211.13251	1.1
212.08342	1.0
212.13660	0.8
213.09137	0.5
217.08531	0.7
219.08154	0.6
219.10182	1.2
220.08739	0.6
221.05981	2.4
221.09570	2.3
221.11708	2.4
223.07469	2.9
224.08228	0.6
225.09099	2.1
227.10638	7.4
237.09044	1.3
238.06300	0.8
238.09843	0.4
239.06931	0.6
240.07770	0.7
243.15834	0.6
245.10191	0.6
249.09019	1.4
249.11250	1.1
253.08635	3.4
253.12132	4.0
255.10141	7.8
257.10193	1.6
261.08948	0.5
263.10828	0.5
265.08560	0.9
267.10184	2.0
267.15854	7.0
268.16263	5.3
269.08124	1.0
269.11877	0.5
269.16434	2.6
272.10416	0.8
275.11191	2.1
279.10114	0.6
280.10742	0.4
281.11740	1.3
283.09830	0.6
284.10382	0.9
285.11188	5.5
285.16907	0.9
286.17172	0.8
287.12759	11.9
287.17456	0.7
288.13336	0.5
293.11642	0.8
297.11243	1.5
298.12262	0.5
299.12582	2.0
301.14136	0.6
305.12186	3.9
309.11090	1.4
311.12564	2.5
313.11020	0.4
313.14282	8.9
316.13113	0.6
317.12122	3.2
323.12720	0.7
325.14313	1.0
328.13110	0.5
329.14069	0.7
331.15356	49.7
332.15598	2.2
335.13303	5.0
335.25699	0.7
337.14206	0.6
341.13831	1.7
343.15332	8.5
353.13983	0.4
353.26706	0.6
355.15448	2.4
367.15359	1.9
367.22577	0.6
368.22540	0.4
377.13544	0.6
385.16434	1.1
387.24146	0.7
389.13846	0.9
397.16501	2.6
403.15198	0.8
421.16400	6.7
427.12228	0.4
433.25580	0.8
434.26089	0.6
435.26563	1.4
439.17584	3.1
443.21057	0.5
443.27240	0.8
457.18472	1.1
459.27606	2.5
460.27811	3.3
461.28079	6.0
477.28488	1.5
478.28842	1.3
479.29080	4.9
551.23193	0.5
593.23425	0.6
611.24561	1.2
629.25641	1.6
647.26770	1.3
676.34406	0.6
733.79163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.8
55.05503	8.6
57.03430	10.3
59.37007	0.6
61.02893	1.1
65.03923	0.6
67.05176	0.9
67.05495	13.2
69.03425	3.7
69.07061	5.1
71.04995	2.9
71.29240	1.1
79.05480	16.6
81.03407	71.0
81.06590	1.1
81.07045	17.9
82.03714	0.7
83.04562	0.5
83.04972	7.0
83.08149	1.2
83.08608	18.9
85.02889	10.6
85.06500	1.8
91.05470	19.5
93.06477	0.8
93.07034	13.1
94.18236	0.6
95.04955	23.4
95.08591	7.4
97.02882	3.6
97.06483	2.0
97.10155	5.1
99.04449	0.6
105.07021	14.8
107.04945	7.0
107.08591	6.5
109.06499	3.3
109.10138	3.5
111.04392	2.0
111.08058	9.3
113.05991	1.1
115.05414	1.9
115.96466	0.5
117.06992	2.9
119.04924	0.7
119.08566	15.2
120.48592	0.5
121.06493	3.7
121.10123	9.2
123.04362	0.8
123.08069	2.9
123.11644	1.4
125.09626	3.7
127.03880	0.6
128.06165	0.5
129.06992	9.9
131.04909	1.1
131.08546	11.9
133.06491	3.7
133.10114	8.7
134.07103	0.6
135.08012	1.9
135.11667	1.0
137.06004	1.2
137.09572	1.8
141.06949	1.0
142.07693	1.4
143.08534	1.1
145.06447	3.7
145.10042	2.5
147.08047	3.8
147.11650	11.3
149.09605	5.2
150.48155	0.6
153.09084	0.7
155.08443	0.8
157.06456	0.8
157.08922	1.0
157.10117	13.4
158.10402	0.6
159.08014	1.0
161.09618	0.7
163.11142	1.8
165.12730	2.5
167.07025	0.9
169.06380	0.5
169.10072	0.7
171.08096	1.0
171.11639	1.3
173.09514	1.2
173.13243	0.6
175.11163	12.0
176.11360	0.6
183.08040	0.6
183.11816	0.6
184.07336	2.7
185.13254	0.8
189.11214	1.2
193.12215	33.3
194.12585	1.1
195.11647	1.3
197.13177	0.8
205.12215	1.0
209.11531	0.8
211.11380	0.7
211.13251	18.2
212.13492	0.8
213.12708	0.7
219.13765	0.8
223.13194	0.7
227.12778	1.3
229.14403	1.3
231.13846	0.8
233.15385	1.1
237.12665	0.9
240.28952	0.5
249.14870	1.9
255.13680	1.7
267.15878	100.0
268.16208	3.7
273.14841	3.7
276.18839	0.6
285.16928	15.5
286.17419	0.8
287.16492	0.7
293.17245	0.8
316.77960	0.6
323.18610	0.6
339.23126	0.9
341.21091	1.8
349.21805	2.7
357.23773	0.7
367.22607	8.1
385.23724	9.4
403.24716	2.8
405.24161	1.3
415.24521	0.9
433.25793	13.8
434.26028	1.0
441.26306	6.8
454.39542	0.6
459.27353	72.0
460.27652	4.6
477.28430	49.3
478.28922	2.7
495.29382	1.8
519.29431	1.4
585.30719	0.7
593.41302	0.8
603.31616	1.1
710.38385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.2
55.05510	0.9
56.05016	0.6
57.03226	0.1
57.03427	1.1
58.06358	0.1
58.06607	0.4
59.04984	0.1
60.08154	6.5
61.02912	0.2
65.03897	0.1
67.05495	1.6
69.03410	0.4
69.07047	0.5
70.06572	0.2
71.04972	0.4
71.07362	3.3
71.35685	0.2
78.18752	0.1
79.05481	1.9
81.03405	5.7
81.07045	2.0
82.03711	0.2
83.04967	1.0
83.08613	1.7
85.02896	1.2
85.06542	0.2
86.09691	29.9
91.05466	2.2
93.07028	1.8
95.04951	2.2
95.08588	0.9
97.02878	0.4
97.06508	0.4
97.10140	0.4
98.98447	2.6
99.04485	0.1
104.10725	2.2
105.07012	1.8
107.04938	0.6
107.08578	0.8
109.02876	0.2
109.06516	0.5
109.10134	0.5
111.04422	0.2
111.08072	0.6
115.05425	0.2
117.06970	0.2
119.04943	0.2
119.08560	1.5
121.06495	0.3
121.10105	0.8
123.08051	0.4
123.11675	0.3
124.99984	19.0
125.05965	0.2
125.09631	0.5
129.06950	0.8
131.04977	0.1
131.06995	0.3
131.08551	1.0
133.06467	0.4
133.10118	1.0
135.08017	0.2
135.11696	0.2
137.05940	0.3
137.09618	0.2
142.07742	0.2
143.01054	0.4
145.10127	0.3
147.04445	0.2
147.08012	0.3
147.11658	1.4
149.09628	0.7
149.13251	0.2
151.11188	0.3
157.10114	1.1
159.07983	0.1
163.11168	0.4
165.12775	0.2
175.11160	0.8
184.07309	100.0
185.07640	0.5
189.11284	0.2
193.12199	2.9
206.02518	0.1
211.13287	2.1
214.17918	0.3
221.40082	0.1
227.12671	0.2
231.13843	0.1
235.13298	0.1
266.14642	0.1
267.15884	3.9
283.15463	0.3
285.16971	2.3
286.12051	0.1
367.22778	0.4
385.23764	0.6
403.24771	0.5
441.26413	0.2
450.22726	0.1
459.27344	4.4
477.28378	7.1
478.29144	0.2
495.29224	1.5
513.29657	0.2
639.33221	0.2
642.32843	0.2
660.34961	16.7
661.35303	0.4
710.38544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	1.4
69.03444	0.9
69.07072	0.8
70.06592	0.8
79.05492	1.0
81.03429	0.9
81.07056	1.0
83.05006	0.7
84.86140	0.5
85.02909	1.0
85.06540	0.6
91.05489	1.8
93.07047	2.6
94.06598	1.8
95.04964	0.8
95.07370	1.3
95.08617	0.9
96.08118	3.2
97.02882	0.6
97.06534	1.0
103.05481	0.6
105.07036	1.0
107.04953	0.6
107.08585	0.8
108.08111	3.1
109.02962	0.5
109.06495	0.7
110.06060	0.6
110.09670	5.7
119.08623	0.8
120.04453	2.6
120.08105	4.0
121.06519	0.7
121.10132	0.7
122.06030	1.6
122.09669	0.7
124.07611	1.5
131.04967	0.7
133.10085	0.9
136.07553	4.4
137.06007	2.2
138.09108	9.9
138.10045	0.9
146.06049	0.8
147.04475	0.8
147.08041	0.5
148.07623	1.4
149.05927	0.5
150.09174	1.4
151.03897	1.1
151.07603	0.8
152.07079	1.5
152.10678	0.7
153.01840	1.1
160.07529	0.7
161.05972	0.9
162.05418	0.7
163.07545	1.3
164.06950	0.8
166.08618	9.3
166.09892	0.7
167.07011	2.7
172.03938	1.1
176.07016	0.7
176.10760	0.5
179.07053	0.6
181.08702	0.5
182.11760	0.7
190.05032	1.6
194.08215	1.0
204.06512	2.9
209.08107	0.6
212.09419	1.0
213.10350	0.8
223.08627	0.6
223.12323	0.7
225.10300	1.9
227.11844	0.6
235.08707	1.1
236.09496	1.2
237.10152	3.4
238.10930	1.1
239.08192	1.6
239.11758	2.9
241.09981	0.7
243.11365	1.2
245.13058	0.7
248.09482	1.5
249.10170	3.8
250.10965	1.7
251.08250	1.6
251.11797	5.1
252.08876	0.8
252.12733	0.6
253.09644	3.4
254.10501	1.0
255.11203	1.0
261.10382	1.9
262.11136	0.9
263.09360	0.6
263.11783	3.1
264.29822	0.6
265.09702	7.6
266.10574	1.0
267.11221	4.3
268.12070	0.7
269.09247	0.7
269.12878	1.0
271.10986	1.5
277.09833	1.9
278.10526	2.6
279.07730	3.4
279.11328	7.6
280.08813	0.8
280.12094	2.2
281.09283	2.5
281.12881	1.8
282.09869	0.9
283.10745	6.1
283.13773	0.9
285.12360	2.0
287.13992	1.5
289.09698	4.5
291.11368	2.4
293.09222	1.6
293.12842	4.4
294.10007	5.4
294.13284	0.7
295.10742	4.5
296.11615	2.3
297.12201	1.8
299.10229	1.4
303.13400	2.8
306.09814	1.2
307.10760	2.9
308.11548	1.5
309.09091	0.8
309.12357	3.3
311.10327	5.2
311.13965	2.2
312.10907	3.0
313.11801	2.5
314.12680	2.1
317.09247	0.7
321.12363	0.6
323.10358	1.4
323.13904	1.7
324.10660	2.4
325.11792	3.0
326.12497	5.0
327.13309	9.4
328.14023	1.0
335.10107	8.3
336.10815	0.7
337.11710	1.1
339.13342	47.6
340.10516	2.1
340.13864	2.1
342.12646	0.6
343.12921	1.0
352.10446	1.2
353.11307	1.2
354.12006	6.9
355.12817	15.4
356.13522	0.9
357.14557	1.8
358.15186	0.5
367.12827	38.0
368.13324	2.0
371.12238	1.3
384.13565	0.7
386.14914	1.7
387.15543	1.0
402.18503	0.6
404.15878	0.9
414.14429	0.9
415.15094	2.0
428.16183	0.5
430.17731	0.5
432.14890	1.1
446.17233	0.9
447.17865	1.0
450.20609	0.6
451.21008	0.8
452.21768	1.1
460.18665	2.1
462.16541	0.8
464.21835	1.5
470.17358	0.6
474.16629	1.4
479.20554	1.9
488.18155	7.6
489.18564	0.6
492.21347	6.3
502.19968	0.8
520.20734	100.0
521.21222	6.1
538.21924	4.6
552.23315	70.8
553.23438	3.6
601.27802	0.6
609.22919	1.0
627.24341	10.5
628.24713	1.1
647.50958	0.6
659.26831	1.1
709.25549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01865	1.9
55.05255	0.8
55.05505	11.6
57.03429	4.7
57.07058	1.6
59.04992	1.4
61.02904	2.6
65.03921	1.5
67.05493	44.3
68.05830	0.6
69.03410	3.0
69.06714	0.8
69.07060	11.7
69.60136	4.8
71.04980	18.3
73.02928	1.0
73.06529	0.8
79.05479	17.6
81.03429	3.5
81.07043	84.8
82.07376	1.4
83.04966	6.9
83.08605	10.2
83.92999	0.5
85.02884	3.4
85.06538	8.2
91.03943	1.0
91.05461	22.8
93.07030	18.9
95.04954	3.9
95.08588	15.3
97.02889	1.9
97.06510	7.8
97.10153	2.5
99.04441	1.0
99.08083	3.2
101.05986	1.2
103.05441	0.7
105.07014	23.6
107.04968	1.0
107.08582	15.4
108.08920	0.7
109.06497	4.0
109.10145	6.5
111.04414	0.9
111.08053	3.0
113.05971	1.5
113.09608	0.6
117.06961	2.9
119.08565	17.7
121.09302	1.0
121.10128	15.9
123.08095	3.1
123.11684	26.3
124.11972	0.7
125.09635	1.4
127.03928	0.8
127.07567	2.1
127.38777	0.6
129.05469	1.2
129.06984	1.3
131.08556	3.9
133.06480	0.7
133.10101	13.4
135.08015	0.7
135.11650	4.0
137.09610	1.1
137.13239	1.6
139.11195	1.0
141.09158	1.2
143.08611	0.8
145.10101	1.7
147.11659	39.2
148.11983	1.1
149.09624	1.3
149.13243	6.0
151.11154	5.6
157.10106	1.5
159.11697	5.0
163.11221	0.7
165.12724	17.2
169.12305	0.9
173.11784	1.3
175.11183	1.4
177.12749	2.1
183.13750	3.5
184.07338	1.4
187.13249	5.0
193.12201	2.3
195.13811	2.6
201.14822	2.0
211.13232	1.6
225.14868	1.5
229.14262	3.6
243.15944	2.6
251.16466	0.7
257.17487	1.4
267.15872	39.9
269.17444	13.1
285.16913	17.6
301.16769	0.5
301.20023	14.1
302.20432	0.8
423.27536	1.3
435.27423	0.7
445.23993	0.6
447.27191	0.7
453.28412	38.0
454.28763	1.6
461.28741	1.4
461.48737	0.6
467.29898	7.3
479.29965	100.0
480.30124	4.2
511.32770	28.9
512.32733	1.3
529.29822	1.0
546.34802	0.7
572.36554	0.7
623.33997	0.7
655.35803	0.9
709.31879	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
53.64969	0.4
55.01859	2.0
55.05503	6.6
57.03149	0.6
57.03428	9.1
57.07066	1.1
61.02910	0.7
65.03929	0.9
67.05496	28.9
68.05829	0.5
69.03416	1.4
69.07055	8.6
71.01324	0.5
71.04991	3.0
71.07027	0.7
71.07373	0.7
73.02899	0.8
73.42344	0.4
79.05487	16.9
81.03407	38.4
81.07047	34.8
83.04971	5.0
83.08609	15.0
85.02893	1.4
85.06526	2.7
91.05472	13.6
93.07032	22.8
94.07368	0.6
95.04958	12.3
95.08593	8.5
95.09161	0.8
97.02873	2.1
97.06524	5.8
97.10160	1.9
99.08076	1.3
105.07016	8.8
107.04964	2.2
107.07854	0.9
107.08577	13.6
109.06490	2.5
109.10138	3.4
109.39212	0.5
111.04400	0.7
111.08062	7.1
115.05466	1.0
117.07003	4.0
119.08571	7.4
121.06472	2.1
121.10130	11.8
123.04418	0.5
123.08040	1.4
123.11700	1.9
125.09594	0.6
127.72629	0.5
129.06979	5.1
131.08559	7.3
133.06503	1.8
133.10106	6.1
134.70995	0.4
135.08049	1.3
135.11662	3.5
137.09602	0.8
139.11145	0.9
142.07768	1.0
145.06471	0.6
145.10132	0.9
147.08066	1.4
147.11664	4.3
149.09590	3.3
149.13240	14.2
151.11185	1.1
157.10126	5.0
159.11673	5.6
163.11124	0.8
165.12804	1.2
171.11694	0.5
175.11177	5.1
175.55464	0.4
177.12755	2.7
193.12224	12.8
195.13782	4.3
211.13235	2.2
249.14816	1.1
267.15878	45.4
268.16177	1.1
269.17444	56.7
270.17758	1.9
285.16879	1.6
303.72531	0.5
349.23853	0.9
349.82651	0.5
361.23917	0.7
410.49899	0.6
412.34058	0.5
417.26407	0.7
435.27411	5.9
443.27701	1.3
453.28534	2.5
461.28931	100.0
462.29288	6.0
467.30106	0.5
479.30042	4.8
503.29962	1.9
511.33380	3.2
569.30701	0.7
587.31915	0.7
618.85529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77489	1.0
53.03933	2.5
55.01855	3.0
55.05504	17.4
56.02634	1.0
57.03431	14.2
57.07030	1.1
59.04974	1.2
61.02917	5.2
65.03922	1.5
67.05495	67.8
69.03429	4.9
69.07060	12.9
71.04983	25.0
71.15774	0.9
73.02884	1.6
73.06527	1.1
79.05482	34.4
80.05769	1.5
81.03404	51.0
81.07043	100.0
82.03707	1.4
82.07346	1.5
83.04971	14.3
83.08607	25.1
85.02412	1.8
85.02893	24.3
85.06530	9.4
87.04445	1.1
87.16756	0.9
91.03957	1.9
91.05467	48.5
93.06459	2.0
93.07030	30.6
95.04954	24.1
95.08591	18.6
97.02875	5.0
97.06526	8.3
97.10182	6.2
99.08076	1.9
105.07015	29.0
107.04951	7.6
107.08581	15.6
109.06521	7.6
109.10142	10.0
111.04409	2.9
111.08058	11.0
113.05998	3.7
115.05470	1.2
117.07006	4.0
119.08562	20.4
121.06447	1.8
121.10115	13.7
123.08038	3.7
123.11679	16.4
124.12032	1.4
125.09653	2.5
127.03880	1.1
127.07514	1.7
129.06972	10.4
131.08553	16.2
133.06491	2.7
133.10115	27.5
135.08057	1.4
135.11662	4.5
137.09567	1.4
142.07756	2.6
145.10103	3.1
147.08000	3.1
147.11674	14.2
149.09599	7.2
149.13239	7.6
151.11145	9.1
157.10121	13.8
159.11658	4.0
163.11136	3.6
165.12750	3.9
169.12202	1.0
175.11169	14.7
177.12682	2.6
183.13797	3.0
187.13261	6.0
193.12218	35.9
194.12544	1.3
195.13766	2.9
211.13258	43.4
222.54666	1.0
225.14865	2.5
229.14383	1.5
239.16330	1.0
243.15843	2.7
253.17964	1.2
257.17352	1.6
259.28513	1.3
267.15863	26.2
269.17459	14.7
283.15317	2.3
285.14001	1.9
285.16934	27.2
286.17422	1.2
301.16638	1.3
301.20016	18.7
349.23773	3.1
417.26242	2.5
435.27393	31.4
439.26782	1.9
443.27957	2.1
453.28424	78.6
454.28714	4.4
461.19354	1.4
461.28967	48.5
462.29163	3.7
467.30008	9.3
479.29977	56.4
480.30228	3.6
482.53943	1.1
493.31485	2.8
511.32712	66.5
512.33130	5.1
655.37054	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01656	1.0
55.01867	11.7
55.05258	1.7
55.05505	26.9
55.05772	1.5
57.03431	23.3
57.07054	3.0
59.04978	2.0
61.02927	7.3
65.03911	1.7
67.05495	43.7
69.03415	6.4
69.07053	11.3
69.54271	9.2
71.04991	5.9
73.02924	6.0
75.24563	1.2
79.05482	37.7
79.05952	1.8
81.03407	79.3
81.07048	41.1
81.07510	0.8
82.04179	3.2
83.04969	26.4
83.08130	1.8
83.08609	31.8
84.02135	1.2
84.40811	0.9
85.02893	29.5
85.06512	3.1
91.03947	3.0
91.05467	40.3
93.07035	25.3
93.32742	1.0
95.04961	38.6
95.08582	14.5
97.02866	8.3
97.06528	8.5
97.10168	18.3
98.07312	5.6
99.08076	1.7
105.07016	25.5
107.04928	13.6
107.08579	16.2
109.02852	1.8
109.06525	6.6
109.10156	13.3
111.04462	6.8
111.08074	18.2
113.06006	2.6
115.05385	1.4
116.04691	10.2
117.07005	4.3
119.04916	1.3
119.08567	22.6
121.06466	2.8
121.10121	13.6
123.04402	1.1
123.08042	9.6
123.11668	1.9
125.09618	15.6
127.03899	1.8
127.07490	1.6
127.11190	2.5
129.05475	27.5
129.06961	13.2
131.08549	17.1
133.06454	3.3
133.10115	15.9
135.07997	2.9
135.11658	6.4
137.05862	1.2
137.09610	3.9
142.07758	3.6
143.07040	6.0
145.10077	7.0
147.08025	4.4
147.11656	18.6
149.09593	9.9
153.09048	2.3
153.12729	3.5
155.06926	1.1
155.08553	1.7
157.08580	11.6
157.10092	19.3
163.11186	10.9
165.12717	5.5
171.06535	2.9
171.10127	2.9
173.09578	2.4
173.11716	5.4
175.11160	23.3
181.12221	3.6
189.11217	7.0
191.10658	3.1
193.12219	74.6
194.12543	2.1
199.13289	16.5
199.15012	1.9
200.14053	2.1
209.11702	9.5
210.12485	1.7
211.13268	100.0
212.13605	2.5
219.13792	1.1
227.12767	14.3
229.14307	3.0
237.64537	1.1
247.13245	4.4
255.15845	2.8
265.14282	1.8
267.15897	27.7
283.15411	11.5
285.16928	70.2
286.17267	1.9
301.16431	63.6
302.16687	1.7
339.18024	1.8
371.97836	1.1
385.23285	1.3
409.25946	4.8
421.26025	1.9
427.26627	4.4
439.26883	17.7
459.27408	3.0
475.26675	3.2
476.27664	5.0
477.28494	4.8
493.27826	17.2
494.28574	6.6
497.32727	1.0
511.29028	66.8
512.29144	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	707.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01546	1.3
53.03947	7.5
54.20034	1.4
55.01861	10.9
55.05259	2.3
55.05504	33.6
57.03431	16.5
57.07071	8.5
58.07411	1.4
59.04979	2.0
60.08140	2.7
65.03917	3.5
67.05497	79.1
69.03069	2.1
69.03421	28.8
69.07059	25.0
69.41154	13.9
71.01327	1.4
71.04987	7.9
71.08619	2.5
73.02907	1.9
77.03903	1.6
79.05054	2.7
79.05484	51.9
81.03409	100.0
81.07047	90.8
83.04967	36.2
83.08609	30.7
85.02893	22.0
85.06553	3.2
86.09711	12.4
87.04456	41.2
87.10032	1.7
88.04787	5.1
91.03918	1.8
91.05468	55.4
92.05764	1.5
93.07034	59.8
95.04963	27.8
95.08595	52.0
97.02881	21.3
97.06508	11.9
97.10169	10.3
98.98452	2.5
99.04434	6.3
99.08075	3.6
103.05442	2.0
105.07018	44.0
107.04953	11.9
107.08579	29.1
109.02861	13.2
109.06499	8.9
109.10143	25.8
111.04433	18.1
111.08065	16.3
113.05987	2.6
115.05423	2.1
116.06276	1.4
117.07017	15.2
119.04892	1.7
119.07778	2.9
119.08563	37.1
121.06472	5.4
121.10130	28.1
121.10995	1.8
123.04404	2.7
123.08041	5.5
123.11696	12.5
124.99981	7.1
125.06008	2.1
125.09606	5.5
127.03868	12.2
128.06215	2.8
129.05487	9.4
129.06979	14.6
131.08548	27.2
133.06471	7.5
133.10106	23.4
135.08034	4.7
135.11673	20.0
137.05995	1.9
137.09596	4.1
137.13239	1.8
139.11186	2.8
141.06943	2.9
142.07784	2.3
143.08531	6.6
145.06490	3.3
145.10115	18.4
147.04364	2.0
147.08043	6.4
147.11662	30.7
149.09589	11.9
149.13255	9.4
151.11177	2.8
153.09117	2.3
153.12727	5.9
155.08551	5.8
157.10106	15.8
159.11661	10.5
161.09625	2.9
161.13240	6.8
163.11162	10.0
163.14804	2.6
165.12711	5.4
167.08560	3.7
169.10081	4.6
171.08096	3.3
171.11679	4.8
173.09601	4.0
173.11876	1.5
173.13240	5.1
175.11156	11.5
175.14816	3.7
177.09268	1.6
177.12749	2.7
181.10083	2.1
181.12207	7.7
183.11644	4.6
184.07323	39.7
185.07649	4.6
185.09598	2.4
185.13232	6.1
187.11145	2.8
187.14745	2.5
189.11186	2.8
191.10612	8.2
193.10403	2.3
193.12206	43.6
195.11665	2.6
197.13361	2.1
199.11140	2.4
199.14818	3.7
207.13548	1.6
209.13322	2.7
211.13251	66.5
212.13719	2.1
215.14284	1.9
221.13184	2.3
227.12749	16.4
229.14209	8.1
233.18817	1.9
243.20944	1.8
249.14754	3.2
261.22058	10.2
267.15891	21.8
275.20117	3.2
275.23502	1.7
277.21649	5.6
279.23151	2.2
283.15341	6.4
285.16971	29.7
301.21576	4.3
303.23245	3.3
315.23126	3.4
317.24799	3.0
327.23123	2.0
335.22025	2.8
335.25775	29.3
337.16513	2.1
337.27313	9.2
339.23291	1.9
341.24606	1.7
345.24219	1.7
351.23209	2.3
353.16064	2.2
355.17361	3.1
357.24146	1.7
369.24283	8.5
387.25217	6.4
405.26443	4.6
411.19907	2.5
427.19672	3.6
429.21140	17.4
435.32281	4.0
443.27966	5.0
453.33719	2.3
461.28979	5.3
479.29977	5.0
527.37366	18.9
545.38281	57.7
545.46631	3.0
546.38617	2.1
563.38776	2.7
609.45313	2.4
653.40143	9.9
671.41321	11.9
689.42444	37.7
690.42352	2.4
707.44769	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	707.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03940	9.1
55.01863	7.2
55.05256	2.6
55.05504	33.8
57.03432	16.5
57.07059	2.7
60.08143	2.3
61.02896	2.6
65.03919	5.1
67.05494	88.3
69.03069	1.8
69.03421	22.1
69.07062	22.3
69.07431	1.0
70.18559	1.9
70.18904	5.9
71.04979	9.0
73.02896	3.6
73.06506	1.2
79.05480	59.5
80.05801	1.8
81.03406	100.0
81.07046	80.7
83.04969	40.2
83.08608	29.8
85.02893	24.6
85.06546	4.1
86.09681	3.0
91.05466	51.3
92.05779	1.6
93.03380	1.3
93.07028	64.6
95.04951	33.7
95.08595	55.8
96.08924	1.7
97.02883	22.5
97.06505	11.6
97.10158	8.7
99.04440	5.7
99.08070	2.8
105.07014	40.2
107.04922	7.2
107.08575	33.1
109.02866	12.2
109.06522	7.6
109.10143	28.2
110.05034	1.3
111.04420	18.8
111.08056	12.6
113.05983	2.5
115.05418	1.9
117.07001	12.2
119.04935	2.3
119.08564	37.4
121.06487	4.9
121.10130	27.6
123.04375	1.9
123.08049	4.7
123.11699	8.3
124.99988	2.8
125.09617	3.5
127.03883	10.7
128.06175	2.7
129.05479	12.1
129.06979	16.3
131.08549	27.3
133.06476	4.4
133.10107	21.1
135.08038	5.4
135.11688	15.6
137.06003	1.7
137.09599	4.2
137.13219	2.6
141.06926	3.1
142.07779	2.9
143.08554	6.7
145.06459	1.4
145.10089	16.1
147.08043	7.9
147.11656	25.3
149.09636	6.9
149.13251	8.3
149.71159	1.2
151.11134	1.2
153.12697	3.5
155.08533	3.1
157.06497	1.8
157.10110	15.5
159.08072	1.6
159.11682	10.5
161.09573	1.6
161.13237	4.6
163.11133	8.2
163.14816	2.4
165.12700	5.3
169.10094	3.2
171.11681	4.0
173.09714	1.9
173.13249	7.9
175.11177	14.4
175.14818	3.8
177.12796	2.8
179.14316	2.0
181.12169	6.7
183.06509	1.9
183.11707	2.9
184.07307	13.6
185.07649	2.2
185.13211	2.1
187.14816	3.6
189.11266	1.7
189.12758	2.5
191.10686	7.3
191.14244	1.5
193.12210	48.6
197.13307	2.7
199.14769	2.6
209.11646	2.2
209.13416	1.4
211.13249	78.5
212.13583	1.6
213.12604	1.6
227.12752	12.5
229.14235	6.4
243.21138	2.8
249.14804	4.0
259.20450	2.3
261.22122	12.3
267.15860	17.5
273.22083	1.3
277.21634	2.4
279.23224	1.5
283.15350	6.4
285.16928	32.6
289.21426	1.4
301.16742	1.8
301.21664	2.1
303.23022	2.1
313.21735	1.9
317.24710	3.5
319.15512	2.2
329.24445	1.7
335.25766	65.5
336.26202	2.6
337.16693	1.8
337.27359	9.9
351.23184	4.2
355.17426	4.6
369.24109	9.1
387.25150	5.3
405.26141	3.5
411.19803	2.4
413.21689	1.8
423.27875	1.7
427.19330	2.0
429.21222	16.5
443.27774	2.5
461.28915	3.6
479.29868	5.1
496.01257	1.4
527.37335	16.8
543.36133	1.9
545.38318	79.1
546.38489	5.3
563.39801	2.0
595.46545	1.4
635.39526	2.9
641.39856	2.2
653.40753	9.3
671.41333	8.9
689.42517	35.1
690.42767	2.0
707.43713	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	707.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.3
53.03942	8.7
53.04148	1.6
55.01862	8.2
55.05501	34.0
57.03428	14.8
57.07065	2.6
58.95257	1.7
59.04963	2.0
61.02919	2.1
62.64582	1.3
65.03926	6.0
67.05493	73.2
69.03419	24.5
69.06709	2.1
69.07055	23.3
69.69950	8.8
71.04985	10.3
72.31041	1.3
72.60116	1.2
73.02932	1.3
75.55090	1.5
79.05480	53.2
81.03405	100.0
81.07043	76.2
82.03721	2.1
82.07372	1.6
83.04963	39.8
83.08605	31.3
85.02889	22.7
85.06516	2.8
87.04442	2.7
91.05466	53.4
92.05795	1.4
93.07032	55.2
95.04951	32.6
95.08589	48.9
97.02875	22.5
97.06512	12.2
97.10145	9.6
99.04430	7.3
99.08083	1.4
105.07009	42.3
106.07354	1.4
107.04955	8.8
107.08578	33.0
109.02848	12.5
109.06499	9.1
109.09448	1.7
109.10136	20.9
111.04431	19.6
111.08059	14.1
115.05415	2.2
117.07001	14.2
119.08564	33.7
120.08915	1.9
121.06469	4.5
121.09290	2.6
121.10127	27.2
123.04398	1.9
123.08067	4.2
123.11672	8.8
125.05975	1.6
125.09610	5.4
127.03912	10.2
129.05490	10.4
129.06976	17.0
131.04875	1.9
131.08557	26.7
133.06479	5.4
133.10107	26.9
135.08008	4.3
135.11658	15.9
137.09616	2.8
139.11182	1.5
141.07040	3.3
142.07741	4.5
143.08514	8.8
145.06448	1.7
145.10103	18.2
147.08005	6.2
147.11659	23.3
149.09587	9.5
149.13231	6.2
151.11162	1.7
153.12665	6.5
155.08522	6.0
157.06444	2.0
157.10097	18.9
158.10406	1.4
159.08025	3.0
159.11653	11.5
161.09572	4.2
161.13240	5.9
163.11143	8.8
163.14751	2.9
165.12709	3.8
167.08557	2.5
169.10094	4.9
171.08014	1.7
171.11646	6.6
173.04355	1.9
173.09564	4.0
173.13225	7.5
175.07664	1.3
175.09770	1.9
175.11183	15.8
175.14818	2.6
177.12775	1.8
177.16344	1.6
181.10088	2.0
181.12209	6.4
183.11642	4.4
185.09613	2.7
185.13228	3.8
187.14749	4.2
189.09024	1.9
189.11200	1.6
189.12773	3.2
191.10664	6.9
193.10402	2.3
193.12210	39.2
194.12579	2.2
195.11693	2.2
195.13759	1.8
197.09666	1.4
197.13300	3.4
199.11279	1.7
199.14780	4.0
203.14354	1.6
209.13286	3.2
211.13242	57.7
213.12814	1.6
223.14754	2.3
227.12691	11.6
227.17946	1.4
229.14256	6.7
235.13187	1.5
243.21143	1.4
247.13208	1.4
249.14848	3.1
259.20398	1.9
261.22009	8.7
267.15860	18.7
277.21423	2.3
279.23224	2.6
283.15445	7.8
285.16876	24.3
301.21518	3.2
301.24918	2.0
303.22992	3.8
311.23819	1.8
317.24521	2.8
319.22620	1.9
327.23209	1.5
335.25729	30.5
337.16528	1.5
337.27396	8.9
345.24283	1.6
351.23065	5.0
355.17429	4.3
369.24152	10.9
387.25159	7.9
404.98376	1.4
405.26321	3.8
417.31403	1.6
427.19415	4.2
429.21204	13.7
435.32410	2.7
443.27811	5.1
447.67343	1.4
461.28867	4.9
479.29907	4.4
479.38226	1.3
527.37238	12.9
545.38245	52.5
546.38629	4.3
569.38318	1.7
611.39410	2.1
635.38715	3.6
653.40326	9.2
671.41559	10.9
689.42334	29.9
690.43201	1.9
707.43323	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	707.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93521	1.2
53.03933	9.3
55.01855	5.5
55.05265	2.0
55.05503	29.2
57.03423	19.3
57.07055	3.4
57.89206	1.1
61.02910	6.1
65.03924	5.4
67.05493	77.4
68.05830	1.4
69.03422	21.5
69.03767	2.6
69.07059	19.7
71.01331	1.5
71.04977	9.9
72.93767	1.7
73.02894	3.0
79.05479	61.3
79.28040	1.4
80.49763	1.3
81.03404	100.0
81.07041	84.6
82.07378	1.7
83.04469	2.4
83.04965	37.1
83.08607	28.0
85.02413	2.0
85.02888	25.0
85.06507	1.9
87.04441	2.3
91.03917	1.7
91.05469	50.7
93.07026	60.2
94.07352	2.2
95.04951	33.0
95.08588	52.4
97.02876	24.3
97.06506	10.2
97.10148	9.5
99.04457	6.4
99.08082	3.2
101.21351	1.2
101.91538	1.4
103.03945	1.5
103.05476	1.8
105.04472	1.7
105.07008	41.6
107.04939	10.6
107.08576	33.3
109.02866	11.8
109.06483	9.0
109.10130	20.5
111.04418	21.0
111.08063	15.7
113.06001	2.5
113.09602	1.7
115.05423	1.5
116.72735	1.3
117.06982	12.4
119.04893	2.0
119.08567	33.8
121.06465	4.2
121.09286	2.6
121.10123	31.9
121.11006	1.7
123.04403	2.8
123.08038	4.4
123.11698	11.2
125.09613	4.9
127.03878	13.0
128.06192	2.5
129.05489	10.3
129.06964	17.7
131.08537	27.6
133.06458	3.2
133.09114	1.5
133.10104	25.4
135.08006	4.5
135.11656	13.7
137.09550	4.8
137.13174	1.4
139.11125	1.7
141.06940	2.6
142.07761	2.7
143.08513	5.4
145.06429	2.2
145.10085	16.0
147.08061	3.9
147.11662	24.5
149.09595	6.7
149.13225	5.8
151.11194	2.7
153.12695	4.7
155.08484	3.9
157.10118	13.9
159.11673	10.2
161.09586	2.6
161.13235	6.1
163.11156	8.6
163.14848	3.0
165.12694	7.6
169.10107	2.8
171.11661	4.6
173.09634	1.9
173.13225	6.0
175.11154	16.3
175.14742	2.2
181.10379	1.2
181.12154	6.6
183.11649	2.9
185.13278	2.6
187.11147	1.4
187.13251	1.6
187.14796	3.8
191.10631	5.2
193.12222	46.2
197.13257	1.8
199.14732	3.3
211.13242	64.4
211.15227	3.2
212.13495	1.5
213.12802	2.0
227.12691	12.2
229.12303	1.6
229.14333	5.7
243.21074	2.4
249.14841	3.1
259.20596	1.5
261.19525	2.1
261.22055	11.8
265.05249	4.0
267.15848	14.7
273.22073	1.9
277.21786	1.3
283.06207	14.4
283.15317	5.6
285.16885	22.4
286.16815	1.7
301.07339	5.4
301.21414	3.0
306.07806	3.3
317.24640	1.5
324.08780	2.6
327.23169	2.6
333.15070	3.8
335.25748	56.1
336.26016	2.2
337.16370	2.0
337.27335	6.3
341.24716	1.3
351.23117	1.9
353.24985	1.5
355.17343	2.8
359.25885	2.1
369.24304	7.2
387.25018	4.6
405.26541	1.9
411.20184	2.0
427.19586	2.3
429.21243	13.2
435.32697	2.1
443.28006	3.3
461.28845	5.3
479.29828	5.1
525.35089	1.4
526.24243	1.2
527.37134	10.1
543.36359	1.8
545.38275	60.3
546.38440	1.9
561.37360	1.5
563.39404	1.7
608.62048	1.7
653.40680	6.5
671.41602	6.8
689.42493	26.9
707.43726	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	707.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15338	0.4
51.03893	0.4
52.60073	0.4
54.30039	0.4
57.03416	1.1
69.03415	1.1
70.31272	1.9
73.46899	0.4
81.03374	0.5
81.66194	0.4
82.99435	0.3
82.99870	1.4
85.02879	2.2
86.95320	0.4
95.19746	0.4
97.02881	1.2
101.00856	2.1
109.02853	0.8
113.00813	0.6
119.01907	10.4
122.01350	1.9
127.02401	0.6
127.03895	1.3
131.01886	8.8
131.51944	1.5
137.01869	4.8
137.02931	2.5
137.51878	0.8
140.02412	0.6
141.30573	0.4
143.01875	15.5
143.51846	0.8
145.03456	6.4
145.05025	0.7
146.02394	0.5
147.01357	1.3
149.01859	1.4
149.02927	0.9
152.02411	4.3
155.01855	7.6
157.03481	2.9
158.02400	1.9
161.02942	18.8
162.02997	0.7
163.04485	1.6
164.02385	1.0
164.52574	0.4
167.01842	3.5
167.02988	0.5
169.03485	2.0
170.02528	0.5
171.04950	2.0
173.02943	23.0
173.53040	2.5
175.04520	1.5
179.01860	1.3
179.03101	0.7
182.03479	1.6
184.04541	0.9
185.02939	31.4
186.03130	0.7
187.04474	4.3
188.03339	0.5
189.06129	0.5
191.03952	1.4
193.03459	0.4
194.03450	0.9
194.53453	0.7
197.02919	13.8
199.04477	0.8
203.03979	16.2
203.54071	1.4
204.04277	0.4
208.04594	1.0
209.02913	1.5
212.04587	0.8
215.03975	9.8
221.04982	1.9
224.04497	1.7
224.54489	0.5
226.05663	0.4
227.03973	8.2
233.04970	0.9
238.05556	0.5
239.04085	1.1
243.42928	0.5
245.05045	100.0
246.05251	3.4
254.05518	1.0
254.55727	0.4
257.05023	5.0
257.16269	0.4
263.06082	15.2
264.06314	0.6
275.06097	11.5
276.06290	0.7
277.03262	0.5
279.05661	0.4
284.06564	7.5
284.56705	2.9
286.07669	1.5
287.06067	1.1
293.07230	4.1
303.01355	1.2
305.07153	11.7
321.10507	0.5
335.08200	4.3
347.08203	1.1
364.09454	0.8
365.09274	44.4
365.59445	2.8
366.09567	1.8
374.09741	0.7
383.10373	3.1
406.11612	0.6
407.10181	1.8
425.11356	43.4
426.11609	1.8
437.11392	3.6
455.12500	3.3
485.13348	0.9
499.04648	0.5
637.90961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
56.05024	0.6
57.03427	0.1
57.07060	0.2
58.06615	0.4
59.07386	0.2
60.08152	6.6
67.05495	0.5
69.07050	0.2
69.44716	0.5
69.45144	0.5
70.06577	0.2
71.04958	0.1
71.07362	3.4
71.08624	0.2
71.70390	0.1
72.47747	0.1
77.73925	0.1
79.05466	0.2
81.03397	0.3
81.07022	0.4
81.30100	0.1
83.04980	0.1
83.08607	0.2
85.02871	0.1
85.10143	0.1
85.76326	0.1
86.09691	32.2
87.04443	0.3
87.10033	0.3
91.05467	0.3
93.07005	0.2
95.04956	0.2
95.08603	0.3
97.10227	0.1
98.98453	3.0
98.99104	0.1
104.10729	2.3
105.07021	0.3
107.04890	0.1
107.08607	0.1
107.24515	0.1
109.10117	0.1
119.08581	0.2
121.10172	0.1
124.99982	20.9
131.08604	0.1
133.28030	0.1
143.01051	0.3
145.10231	0.1
163.01529	0.1
166.02684	0.1
184.07309	100.0
185.07637	1.0
186.07773	0.2
198.88684	0.1
219.64113	0.1
233.37788	0.1
478.33673	0.1
496.33746	0.2
517.20276	0.1
523.40009	0.1
706.46362	12.3
707.47021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01868	5.9
55.05500	17.0
57.03426	9.3
57.07059	2.3
59.05002	3.2
60.30058	0.7
61.02919	5.2
63.38842	0.6
65.03931	2.1
66.28091	0.6
67.05495	51.5
69.03426	3.3
69.07062	8.5
71.01340	1.9
71.04984	21.8
73.02911	1.5
73.06550	0.8
77.03906	0.7
79.05483	26.2
81.02921	0.7
81.03407	16.5
81.07046	86.2
82.07378	1.8
83.01328	4.7
83.04967	9.9
83.08612	14.9
85.02889	7.8
85.06534	9.0
86.09687	1.3
87.04472	1.2
91.03957	1.8
91.05470	26.3
92.05785	0.6
93.07028	34.0
95.04953	9.9
95.08591	14.4
97.02872	5.4
97.06501	7.2
97.10161	3.9
99.04454	2.6
99.08067	1.3
105.04510	0.8
105.07014	15.1
106.07380	1.0
107.04957	7.9
107.08578	19.6
109.02878	1.6
109.06505	7.1
109.10141	9.7
111.04424	4.1
111.08067	3.7
115.05353	0.7
117.07001	7.8
119.04893	0.9
119.08558	9.9
121.06504	3.0
121.10132	11.3
123.08057	7.8
123.11685	13.1
124.99998	1.0
125.05972	1.4
125.09609	2.3
127.03876	1.3
127.07511	0.9
129.05489	0.8
129.06989	2.4
131.08568	7.5
133.06514	0.8
133.10109	15.5
135.08064	2.5
135.11671	12.7
135.12679	0.8
137.09627	1.4
141.06917	0.8
142.75186	0.7
143.08528	1.4
145.06618	0.7
145.10106	14.1
147.04451	2.6
147.08037	2.4
147.11650	4.2
149.09624	2.6
149.13228	6.0
151.11154	8.4
153.12727	3.7
155.08531	1.7
157.10109	1.1
159.11671	4.4
161.09608	0.9
163.11151	20.4
165.12769	0.8
169.12262	1.3
171.11685	1.0
173.09549	3.6
175.11215	1.6
177.12750	2.5
181.12251	2.2
183.13821	2.6
184.07294	4.0
187.13235	4.8
191.10640	2.3
193.12270	2.3
195.13806	2.5
209.11693	3.6
211.13307	1.5
211.89381	0.7
213.14821	1.0
223.13322	0.7
225.14919	0.8
227.12750	2.5
227.16298	1.1
241.14445	0.9
248.14140	0.7
253.14354	1.2
265.14279	1.7
267.15930	2.9
269.17459	9.0
271.05865	0.7
275.20068	1.5
276.20593	1.0
283.15366	20.8
283.18518	1.3
285.16904	3.4
295.60056	0.7
301.20007	11.8
315.18140	1.7
350.23746	1.0
411.27301	1.1
433.25803	1.1
451.26846	79.9
452.27258	2.4
459.27313	4.6
465.28415	5.4
473.28778	1.8
477.28433	50.6
478.28677	1.2
491.30087	2.2
509.31079	100.0
510.31631	3.7
544.36981	2.2
621.31921	0.9
688.40656	1.6
693.75262	0.8
706.41461	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
53.15571	0.5
55.01863	3.6
55.05255	0.8
55.05503	11.4
57.03429	12.1
57.07047	0.9
59.04999	1.1
61.02906	1.4
62.57832	0.5
63.22575	0.5
65.03918	1.3
67.05494	19.9
69.03422	5.3
69.07056	5.6
70.13052	1.0
70.13451	1.3
71.01336	0.9
71.04980	3.7
73.02911	0.8
74.09691	0.6
79.05480	21.1
79.63254	0.6
81.03405	77.9
81.07044	22.1
82.03732	0.7
83.04964	9.8
83.08606	21.2
85.02416	0.8
85.02898	12.7
85.03414	0.6
85.06519	1.7
86.09668	0.7
87.04453	0.9
89.95408	0.6
91.03930	0.7
91.05465	25.4
93.07024	15.6
95.04953	27.8
95.08597	9.0
97.02867	4.6
97.06532	3.2
97.10151	4.8
99.00818	0.6
99.04465	0.8
99.08092	1.1
105.07015	20.0
106.12739	0.6
107.04945	10.8
107.08572	9.0
109.02887	1.8
109.06514	5.2
109.10152	5.4
111.04436	1.9
111.08063	9.7
113.05963	1.4
115.05444	1.3
116.06246	0.6
117.06972	3.1
119.04920	1.0
119.08557	16.7
120.08908	0.6
121.06496	5.0
121.10126	9.3
123.04408	1.4
123.08032	4.1
123.11687	2.2
123.20327	0.5
125.09619	3.2
127.03893	0.8
127.07529	1.0
128.06194	0.9
129.05518	0.8
129.06982	11.3
131.04939	0.7
131.08546	11.0
131.96150	0.6
133.06483	4.2
133.10112	11.7
135.08052	1.7
135.11713	2.6
137.05948	1.7
137.09560	2.4
141.06920	0.7
142.07748	3.5
143.08553	2.0
145.06450	4.5
145.10091	4.8
147.04549	0.6
147.08032	5.4
147.11658	13.1
149.09598	7.7
151.07504	0.7
151.11156	1.2
153.01701	0.6
153.09019	0.9
153.12779	0.6
155.08484	1.0
156.69524	0.7
157.10109	13.7
159.08044	1.0
159.11641	0.6
161.05940	1.0
161.09602	2.6
161.13223	0.5
163.11119	3.4
165.12735	3.5
169.06465	0.9
169.10068	0.7
171.08037	2.3
173.09599	0.9
175.11153	12.1
177.08980	0.6
177.12691	0.6
179.10629	1.2
181.12163	0.6
183.08104	0.7
187.11107	0.6
187.14821	0.6
189.09236	1.1
189.11169	1.6
189.12601	0.9
193.12209	36.9
195.11688	1.0
197.13274	1.3
203.14323	0.7
205.12265	1.2
207.10081	0.6
209.11705	1.1
211.13246	20.9
213.12729	0.6
215.14276	0.8
223.13168	0.7
225.11066	1.0
227.12622	2.6
229.14314	1.5
233.15390	1.5
235.13174	0.9
237.12793	1.2
249.14815	2.1
255.13774	2.2
263.93069	0.6
267.15869	100.0
268.16232	1.5
273.14844	3.8
283.15219	4.6
285.16907	21.6
286.17325	0.6
299.14847	5.9
301.16525	1.4
339.23187	0.7
341.21094	0.9
349.21527	2.6
367.22589	8.6
385.23679	9.8
403.24789	2.7
415.24597	0.8
423.24899	0.6
433.19910	0.8
433.25757	12.8
441.26315	7.3
459.27344	70.7
460.27716	2.1
473.25012	1.4
477.28400	43.4
478.28622	1.5
491.25656	4.5
501.28256	0.7
509.27267	18.5
510.27695	0.9
519.29395	1.3
527.28162	0.7
585.30505	0.8
618.21082	0.6
706.39624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01869	5.1
55.05507	8.0
56.07992	0.6
57.03431	10.8
59.04984	1.2
60.53261	0.6
61.02916	4.1
62.62862	0.6
63.41642	0.6
64.38528	0.5
65.03935	1.6
67.05495	27.2
68.05801	0.6
69.03414	4.4
69.06704	0.9
69.07058	7.8
69.98106	3.2
69.98473	1.1
71.04979	4.8
73.02900	1.3
73.06551	0.7
73.49934	0.5
79.05482	18.5
81.03408	43.7
81.07047	26.5
81.07431	0.3
82.03777	0.8
83.04975	12.1
83.08613	15.2
85.02415	1.3
85.02895	15.3
85.06540	3.2
87.04414	0.8
91.03935	1.4
91.05470	28.9
93.07031	18.2
95.04959	15.8
95.08593	8.3
97.02870	4.7
97.06527	4.2
97.10153	3.7
99.04431	1.6
99.08079	2.2
105.07018	22.4
106.07335	0.8
107.04934	5.8
107.08582	16.0
109.02862	1.9
109.06501	6.2
109.10146	22.0
110.10491	0.7
111.04443	2.8
111.08057	6.3
111.97693	0.6
113.05975	2.7
115.05451	1.0
117.06977	2.8
119.04937	1.3
119.08568	13.1
121.06485	2.3
121.10136	6.8
123.04445	1.3
123.08044	3.1
123.11678	4.5
125.05994	1.4
125.09615	2.5
127.03876	1.1
127.07510	1.7
128.06210	1.0
129.06981	6.2
131.02261	0.5
131.04922	0.8
131.08559	6.8
133.06490	2.3
133.10110	36.0
134.10405	0.8
135.08020	0.9
135.11653	2.8
137.05945	4.1
137.09604	2.0
139.03877	0.9
142.07765	1.5
143.08534	1.9
145.06491	0.8
145.10107	3.8
145.34207	0.5
147.04420	0.9
147.08076	2.3
147.11676	10.1
149.05936	0.9
149.09598	4.2
151.03822	0.8
151.07460	0.8
151.11160	16.6
151.12328	1.1
157.10107	7.6
159.11659	1.0
161.05951	0.9
161.09613	8.8
163.07547	0.8
163.11176	2.6
164.51950	0.6
165.12773	2.4
167.07033	15.5
169.12262	2.8
173.09590	1.1
175.11163	9.1
177.05516	0.6
179.06990	0.6
179.10654	3.6
181.08466	0.6
184.07347	1.6
189.09059	1.6
193.08621	1.6
193.12212	25.6
194.12563	1.2
207.10123	4.3
209.11777	1.0
211.09987	1.3
211.13263	39.3
212.13550	0.9
215.12776	2.4
225.11282	1.4
227.12741	0.8
243.12289	1.1
253.14275	3.4
267.15891	16.6
271.15146	0.6
281.13797	4.9
283.15356	4.5
285.16925	37.1
286.17319	1.6
293.31436	0.6
299.14856	53.4
300.15250	2.5
301.16333	1.0
459.27386	1.9
473.25098	1.3
477.28592	1.5
491.26303	17.8
492.26520	1.5
509.27417	100.0
510.27551	7.2
619.28339	0.8
726.04211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36526	0.4
51.02349	0.5
51.21502	0.4
51.97100	0.5
53.03910	1.4
55.01866	3.9
55.05504	10.8
57.03429	12.0
59.04991	0.8
60.37632	0.4
61.02923	2.9
65.03906	1.2
67.05495	25.2
69.03420	6.4
69.06725	0.5
69.07058	7.6
70.06541	0.5
70.75082	1.2
70.75444	0.7
71.01316	1.7
71.04988	5.2
73.02869	1.6
75.61552	0.4
79.05480	17.0
80.05823	0.4
81.03406	37.8
81.07043	27.4
82.03763	0.4
83.04968	11.7
83.08604	14.6
85.02894	15.2
85.06545	3.8
86.09641	0.6
86.90300	0.4
87.04423	0.9
89.06025	2.1
91.03910	1.4
91.05467	27.4
92.05756	0.6
93.07027	17.5
94.07382	0.4
95.04367	0.9
95.04953	16.3
95.08588	7.9
96.08863	0.4
97.02888	4.4
97.06519	3.9
97.10163	4.0
99.04449	2.0
99.08065	1.1
103.05437	0.7
105.07013	23.6
106.07323	0.6
107.04943	5.6
107.07858	0.6
107.08577	15.4
109.02832	1.3
109.06495	5.9
109.10137	20.5
111.04430	2.6
111.05067	0.4
111.08055	7.0
113.05968	2.5
115.05422	1.1
117.06966	1.8
119.04928	1.1
119.08562	11.3
121.06493	2.3
121.10123	6.6
123.04393	1.1
123.08074	2.4
123.11686	5.2
125.05986	0.9
125.09613	2.1
127.03863	1.7
127.07510	1.7
127.11092	0.6
128.06209	0.5
129.06990	6.2
131.04881	0.8
131.08551	7.6
133.06425	1.4
133.10110	34.8
134.10419	1.3
135.08015	1.3
135.11697	2.4
137.05962	16.4
137.09572	2.2
138.06287	3.1
142.07733	1.0
143.08516	1.0
145.04858	0.6
145.06419	0.6
145.10081	2.8
147.04401	0.7
147.08023	2.5
147.10490	0.5
147.11670	8.7
149.05963	0.5
149.09612	4.2
149.13148	0.4
151.03914	0.7
151.07484	0.9
151.11154	15.6
153.01802	1.2
153.06934	0.4
153.09119	0.6
157.10106	9.1
159.11621	0.5
161.05957	0.7
161.09634	3.7
163.07516	1.2
163.11157	3.4
164.07968	0.6
165.09091	0.8
165.12747	2.2
167.06998	7.9
168.07353	2.0
169.10121	0.6
169.12210	2.8
171.07962	0.7
175.07579	0.6
175.11163	9.6
177.09096	0.9
179.10728	2.3
181.08559	1.2
181.12263	0.5
184.07320	1.6
188.81963	0.5
189.09094	0.8
190.19186	0.5
191.06952	0.6
191.10602	0.5
193.12209	25.3
194.12550	0.5
203.14195	0.5
207.10118	1.6
209.11667	0.6
211.09833	1.3
211.13254	44.2
212.09962	0.5
212.13585	1.3
215.12724	1.7
217.12154	0.5
225.11195	1.4
227.12703	1.0
229.14261	0.6
235.13350	0.6
243.12302	3.2
247.13268	0.4
249.14798	0.5
253.14355	3.1
267.15894	16.5
268.16574	0.5
271.15530	0.5
280.07092	0.4
281.13831	2.1
283.15414	1.0
285.16913	37.1
286.17282	0.9
299.14850	57.1
300.15274	1.4
459.27261	0.8
473.25385	1.9
477.28561	0.5
481.27985	0.5
491.26315	14.5
492.26642	0.8
509.27390	100.0
510.27884	4.4
527.37500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01864	14.3
55.05503	24.5
57.03428	18.6
57.07042	2.1
59.04978	2.5
61.02914	6.7
62.23057	0.6
65.03912	1.1
67.05493	28.2
68.05807	0.8
68.06253	0.5
69.03413	5.4
69.07058	9.4
69.87362	1.6
69.87756	1.5
70.04190	1.2
71.01324	2.1
71.04987	6.3
71.41054	0.5
73.02907	4.8
79.05481	30.5
80.06227	0.7
80.83645	0.6
81.03404	30.6
81.07045	31.6
82.04185	3.6
83.01330	6.1
83.04971	17.2
83.08137	1.0
83.08607	16.9
84.02091	0.8
84.05725	0.7
85.02412	0.9
85.02891	10.4
85.06509	2.5
86.09705	0.9
87.04422	0.5
91.03917	2.5
91.04882	0.9
91.05466	24.3
93.07029	31.1
94.04162	1.2
95.04349	1.2
95.04953	19.3
95.08041	0.9
95.08592	13.0
96.05728	1.0
96.90481	0.6
97.02873	8.7
97.06507	9.0
97.10158	10.6
98.07294	3.6
99.04424	2.7
99.08055	1.7
101.05944	0.9
105.07005	15.4
107.04938	12.0
107.07854	1.0
107.08575	19.6
109.02851	1.8
109.06496	9.0
109.10137	8.9
111.04437	4.7
111.08080	5.0
113.05929	0.8
116.04687	8.7
117.05566	0.5
117.06987	9.2
119.08561	17.3
120.09333	0.6
121.06500	4.4
121.10123	11.1
123.04364	1.2
123.08048	12.1
123.11700	3.2
125.05949	1.7
125.09607	10.7
127.03833	1.6
127.07507	0.6
127.11131	1.0
128.06197	0.9
129.04480	1.2
129.05461	22.5
129.06902	4.3
130.07730	0.9
131.08556	7.9
133.06453	0.9
133.10109	6.9
135.08037	3.5
135.10674	0.9
135.11664	13.2
137.05939	0.8
137.09546	3.6
139.07503	1.5
139.11127	1.2
141.06914	0.8
143.07019	5.1
143.08539	1.3
143.10654	0.8
145.04912	0.7
145.06439	0.8
145.10107	16.8
147.04362	0.8
147.08055	3.2
147.11664	10.4
149.05928	0.8
149.09589	3.4
151.07521	0.8
151.11137	1.2
153.09058	1.9
153.12740	3.8
155.08565	1.4
157.08566	10.9
157.10075	4.4
158.05705	1.6
162.10295	0.7
163.11153	28.3
165.12720	3.1
171.06500	1.4
171.10182	3.2
171.11528	1.0
173.09625	3.7
173.11653	2.0
175.11111	3.5
181.12184	4.8
184.07306	3.3
185.11679	0.9
189.11205	5.7
190.09833	1.3
191.10640	5.2
193.12231	8.4
199.13290	4.6
200.14035	2.0
201.14824	2.3
207.13708	1.2
209.11702	11.9
210.12421	2.1
211.11537	0.7
211.13199	3.2
212.13675	1.5
223.13229	2.1
225.11203	0.8
227.12752	14.3
229.14211	3.1
235.11073	0.6
246.44440	0.6
255.15802	1.6
265.14291	1.8
267.15869	33.9
268.16187	1.1
281.17422	1.4
283.15353	96.0
284.15863	3.9
285.16925	14.4
286.17511	0.8
297.17111	0.9
298.17368	1.0
301.16409	73.3
302.16739	2.2
337.16513	3.1
365.19662	1.0
383.22037	1.2
401.23300	1.3
407.24353	1.9
425.25061	2.9
436.24429	0.9
437.25323	8.8
457.25806	2.5
459.27493	2.7
473.28854	7.0
474.26126	2.5
475.26859	10.1
477.28369	14.2
491.25851	4.9
492.27008	6.6
493.27563	1.6
495.29285	1.1
509.27350	100.0
510.27728	5.6
512.70111	0.7
527.28595	2.3
712.12109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.4
51.24743	0.3
53.00270	1.5
53.00508	0.3
53.03913	1.3
55.01864	3.4
55.05501	13.4
57.03429	10.1
57.07025	0.4
58.92663	0.4
59.04956	1.8
59.45582	0.4
61.02919	3.0
62.00303	0.4
65.03902	0.9
67.05495	14.1
69.03423	3.3
69.07055	4.6
69.43961	3.6
71.01315	1.1
71.04989	2.9
72.44600	0.4
73.02860	1.4
78.91857	0.3
79.05479	13.9
81.03404	35.6
81.07042	20.8
83.04964	8.7
83.08603	17.6
85.02891	14.3
85.06525	2.2
91.03901	1.1
91.05466	24.6
91.81451	0.3
92.05786	0.4
93.07025	16.3
95.04955	18.0
95.08031	0.6
95.08584	7.0
97.02380	0.4
97.02872	4.9
97.06525	3.8
97.10162	2.9
99.00186	0.7
99.00796	10.9
99.04404	1.2
99.08039	1.1
101.02353	0.4
103.05426	1.0
105.07008	18.0
106.15946	0.5
107.04943	7.0
107.08578	7.9
109.02203	0.6
109.02860	6.8
109.06505	3.5
109.10139	4.6
111.04465	2.2
111.07356	0.6
111.08064	8.1
113.06009	2.0
115.03902	2.4
115.05376	0.8
116.59016	0.4
117.07001	2.8
119.04926	1.0
119.08562	13.7
121.02796	0.5
121.05799	0.5
121.06491	5.7
121.10130	5.3
123.04352	1.2
123.08017	2.1
123.11671	2.2
125.05909	0.4
125.09598	0.9
127.03895	2.1
128.06184	1.3
129.06123	0.6
129.06984	6.6
131.08542	6.3
133.06496	2.5
133.10106	29.9
134.10434	1.0
135.08002	1.3
135.11603	1.4
137.05983	1.9
137.09557	2.2
139.07516	2.4
141.05414	0.6
142.07713	1.5
143.08546	3.2
145.06386	0.8
145.10095	2.0
147.08049	2.5
147.11647	7.0
149.09612	3.4
151.11154	7.9
157.10106	8.1
161.08281	0.8
161.09595	13.9
163.11113	1.6
165.09071	0.6
165.12708	1.8
171.08015	2.9
175.11150	8.7
179.10654	7.3
184.07326	0.4
189.09076	6.1
193.12212	22.7
197.11673	1.6
202.65758	0.4
207.10146	1.7
209.11722	0.4
211.13254	33.5
212.13570	1.0
219.13731	0.4
225.11185	6.9
227.12653	0.8
229.14314	0.8
243.12250	1.7
267.15860	14.6
281.13791	4.0
283.15353	1.3
285.16910	36.0
286.17218	1.1
299.14835	60.9
300.15216	1.3
301.16284	0.6
445.25763	1.6
459.27530	1.1
463.26788	1.0
463.99451	0.4
473.25235	2.5
477.28354	1.3
491.26279	15.8
492.26669	0.6
509.27377	100.0
510.27786	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	705.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03814	1.6
53.04084	1.2
55.01724	1.8
55.02023	1.3
55.05368	7.2
55.05676	4.8
55.49796	0.5
57.03291	3.7
57.03607	2.0
57.06958	1.1
57.07229	1.0
59.04891	0.7
61.02770	5.3
61.03126	2.8
65.03812	0.8
65.04111	1.0
67.05343	15.0
67.05746	6.2
67.05992	0.8
69.03261	6.1
69.03683	2.2
69.06902	5.4
69.07324	1.8
71.01226	0.6
71.04826	2.5
71.05249	1.2
73.02749	3.6
73.03183	1.3
79.05311	12.7
79.05831	3.5
81.03235	14.2
81.03773	3.8
81.06876	17.7
81.07409	4.7
83.04796	5.3
83.05328	1.2
83.08436	7.4
83.08994	1.9
85.02715	8.1
85.03276	1.8
85.06399	1.1
87.04308	0.8
91.03768	3.5
91.05286	13.9
91.05920	3.0
93.06844	14.7
93.07500	3.0
95.04760	6.4
95.05439	1.3
95.08408	10.2
95.09087	2.2
97.02690	8.8
97.03393	1.4
97.06326	2.7
97.09963	5.5
97.10667	1.1
99.04252	1.7
99.04876	0.8
99.07956	0.7
101.02220	1.2
103.05299	0.7
105.06822	12.6
105.07612	2.0
107.04743	2.9
107.08380	9.6
107.09166	1.4
108.08688	0.5
109.02662	2.8
109.06303	2.8
109.09940	7.2
109.10744	0.9
111.04218	2.2
111.07867	3.0
115.03796	0.6
115.05265	0.8
117.06792	7.6
119.08355	10.8
119.09292	1.3
121.06297	2.2
121.07073	0.7
121.09908	7.6
123.04246	0.9
123.07838	1.9
123.11463	2.1
125.09405	5.3
127.03686	3.4
128.06075	1.1
129.05286	1.1
129.06773	7.9
131.08336	11.8
131.09384	0.9
133.06247	1.7
133.09894	9.1
133.10970	0.8
135.07816	2.4
135.08769	1.0
135.11452	3.9
136.31567	0.5
137.09349	1.9
139.07440	0.5
139.10930	0.7
141.06750	2.2
141.07747	0.8
142.07561	1.4
143.08315	6.2
145.06235	2.2
145.07291	0.5
145.09872	8.6
147.07799	2.8
147.11438	7.9
149.09354	2.1
149.13005	2.1
151.10988	0.9
153.08899	0.7
153.12532	1.3
154.07564	0.6
154.31564	0.6
155.08315	4.2
157.06352	1.0
157.09869	8.8
159.08049	2.5
159.11438	7.8
161.09431	1.5
161.13222	3.0
163.11179	2.6
163.14610	0.8
165.06841	0.6
167.08545	2.6
168.09279	0.7
169.09871	4.3
171.07889	1.3
171.11638	6.6
173.04228	1.6
173.09358	1.9
173.11835	0.8
173.13168	4.7
175.11125	2.8
175.14569	1.7
179.08360	0.8
181.09862	3.8
181.11484	1.0
183.07867	0.8
183.11664	4.8
184.07054	0.9
185.09349	2.2
185.13213	5.2
187.10925	1.6
187.14612	1.6
189.10968	2.4
189.12556	1.1
191.10442	0.6
193.09889	1.5
193.11974	4.8
195.11679	2.7
197.09326	1.4
197.13245	4.0
199.14801	2.6
201.12532	1.5
201.16171	1.2
203.14133	1.3
207.11560	1.0
209.13046	2.2
211.11215	0.9
211.13101	5.1
211.14709	1.2
213.12619	1.3
213.16243	0.7
221.13057	1.7
223.11047	0.9
223.14565	1.7
225.16193	1.0
227.12622	4.1
229.14145	1.6
229.62714	0.5
235.14684	1.0
237.16245	1.1
239.14035	0.8
241.19225	2.3
243.15726	1.3
253.15755	0.7
257.18777	1.8
259.20535	4.7
261.21848	0.6
263.17719	1.0
265.19312	0.7
267.15753	3.6
269.17328	0.9
271.20270	0.7
271.23743	0.7
275.20151	3.5
283.15225	0.8
283.20264	1.7
285.17001	2.9
295.20465	0.6
297.22028	1.4
299.20163	0.8
299.23407	3.5
301.21448	1.2
309.21857	1.0
313.21356	1.4
315.22992	0.8
317.24683	0.6
325.21301	1.1
333.24359	3.6
339.23038	1.8
343.22287	0.8
349.24225	0.7
357.23962	1.5
365.24478	0.7
367.22549	2.1
371.25739	1.1
373.23883	0.6
403.24512	0.6
413.21689	0.8
415.29626	1.2
417.26105	0.8
421.25742	1.9
423.32492	1.1
429.21158	2.2
433.30933	5.0
435.27280	2.0
443.28159	0.7
449.28845	0.7
451.32001	8.2
469.33044	3.3
507.34589	1.8
515.37390	1.6
525.35657	19.9
526.35864	0.9
541.35059	1.9
543.36743	100.0
544.37335	3.4
567.36896	2.0
583.78033	0.6
585.37659	1.9
609.37872	1.3
633.37976	1.3
639.38953	0.9
651.38867	4.2
669.39807	4.0
687.40717	8.4
705.32050	3.2
705.42242	17.5
706.32056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.5
56.05011	1.0
56.08755	0.3
57.07042	0.4
58.06357	0.3
58.06610	0.6
60.08150	7.5
67.05479	1.0
67.22752	0.2
69.07049	0.5
70.81136	0.7
71.04976	0.3
71.07366	3.8
74.19157	0.3
79.05464	0.5
81.03411	0.4
81.07040	1.0
86.09688	34.7
87.09976	0.3
91.05451	0.4
93.07006	0.4
95.08598	0.7
98.98443	2.6
104.10716	3.5
105.07022	0.5
107.08556	0.3
119.08582	0.4
121.10110	0.3
124.99980	22.8
133.10135	0.3
143.01039	0.7
166.02690	0.4
184.07304	100.0
185.07640	0.9
237.26691	0.3
240.46954	0.2
293.64819	0.2
296.73117	0.2
320.94266	0.3
386.91269	0.3
496.34198	0.3
704.44763	19.3
705.45782	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54603	1.4
54.26734	1.5
55.01881	1.6
55.05505	10.9
57.03430	12.3
57.07069	25.6
61.02921	3.2
62.57350	1.4
67.05492	31.2
68.37086	1.5
69.07060	13.4
71.04960	4.4
71.08622	22.0
71.50982	1.6
71.63135	2.0
79.05475	16.5
79.22970	1.7
81.03410	2.2
81.07047	45.1
83.08619	14.8
85.02885	4.1
85.06511	2.4
85.10146	10.6
86.09695	9.9
89.06027	1.6
91.05469	8.9
93.07031	24.3
94.39460	1.5
95.04936	3.5
95.08591	22.6
97.02856	2.5
97.06506	5.8
97.10158	5.0
99.08016	1.4
105.07005	4.7
107.08569	13.1
109.10164	9.9
111.08054	5.2
117.06955	3.5
118.31445	1.6
120.93401	1.7
121.10123	12.8
123.11687	4.8
124.99997	6.3
131.08543	5.0
133.10103	4.3
135.11702	3.8
149.13239	15.9
159.11659	7.0
177.12715	3.7
184.07298	32.6
185.01729	1.5
192.28604	1.5
195.13799	7.2
213.93283	1.4
224.16975	1.6
269.17444	100.0
313.27332	57.7
324.05139	1.6
414.78958	1.5
507.40408	96.7
508.40204	3.2
575.49872	5.5
704.49384	4.4
729.78333	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64732	0.9
53.03944	4.9
55.01862	6.8
55.05504	31.8
56.05832	1.3
57.03429	23.7
57.07061	2.2
59.04991	1.6
61.02921	5.7
65.03924	2.6
66.53075	0.9
67.05494	60.7
69.03112	1.1
69.03420	11.5
69.06718	1.5
69.07061	18.4
69.14883	0.9
71.01347	1.3
71.01804	2.2
71.04973	7.8
73.02892	1.8
79.05481	50.5
80.05791	1.0
81.03407	83.5
81.07047	58.1
82.07417	1.0
83.04971	23.4
83.08607	31.8
85.02893	28.2
85.06517	3.5
86.09686	1.6
91.03938	3.7
91.05467	50.6
91.21935	0.9
92.05847	1.0
93.07030	42.3
93.07619	2.1
93.29199	1.0
95.04956	46.0
95.08591	22.5
96.05185	1.0
97.02872	8.0
97.06519	8.5
97.10159	20.1
99.04443	3.3
99.08047	3.3
101.06007	0.9
103.03906	1.0
103.05442	3.0
105.07017	36.9
107.04946	19.0
107.08579	24.8
109.02828	2.5
109.06523	9.5
109.10142	19.4
111.04424	4.3
111.08069	12.2
113.06002	2.5
115.05437	2.9
117.07010	11.9
119.04929	2.0
119.08564	28.8
121.06493	9.6
121.10122	13.3
123.04459	2.3
123.08071	5.5
123.11691	3.5
125.06042	1.4
125.09616	16.2
127.03889	2.9
128.06186	2.2
129.06990	13.6
131.04950	1.6
131.08540	22.2
133.06479	4.4
133.10121	17.5
135.08067	6.4
135.11693	2.7
137.05963	2.3
137.09604	4.2
139.11105	1.4
141.07010	4.9
142.07770	2.8
143.08560	3.3
145.06454	2.1
145.10080	9.0
147.08035	4.7
147.10483	1.3
147.11662	20.4
149.09595	8.7
149.13205	2.5
151.11197	2.1
153.09111	1.3
154.23656	1.0
157.06421	1.1
157.10098	16.9
159.08023	1.4
159.11662	9.6
161.09637	2.9
163.11133	2.5
165.12740	6.7
169.10114	4.6
171.10155	1.1
173.11707	3.0
175.11163	16.5
177.12759	4.9
184.07353	3.8
187.11124	6.9
189.11179	10.2
193.12224	43.5
194.12575	1.2
195.13754	1.3
205.12196	7.8
207.13846	1.2
211.13258	72.1
212.13472	1.4
213.14865	1.1
223.13261	64.1
224.13560	1.4
225.12756	1.1
227.12708	11.8
229.14331	13.6
241.14249	1.0
243.13686	0.9
247.13281	1.8
253.14232	1.0
261.14828	1.5
267.15863	29.4
268.16061	1.3
269.17422	1.4
279.15851	5.9
283.15289	1.3
285.16928	53.7
297.16934	86.0
298.17203	3.3
299.71478	1.0
301.16144	1.0
312.25192	1.1
319.49783	1.1
328.35959	0.9
369.24115	1.3
397.23517	1.9
403.25037	1.0
421.25766	6.1
423.27481	1.7
437.25012	1.3
439.26862	13.4
440.27078	1.7
443.27905	2.1
461.28876	2.8
471.27231	5.5
489.28415	36.7
490.28561	1.5
507.29489	100.0
508.29739	6.1
525.30475	2.6
669.31268	1.3
704.41083	1.2
716.77325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
53.82647	1.0
55.01867	14.7
55.05505	24.6
57.03429	15.8
57.07063	3.6
59.04972	2.4
61.02916	3.0
65.03933	2.9
67.05499	58.7
68.05834	1.3
69.03424	8.0
69.07056	16.4
70.04209	1.2
70.09277	1.2
71.01333	1.1
71.04996	5.1
71.62682	2.5
73.02901	3.9
73.06555	1.7
77.03933	1.5
78.04632	1.0
79.05486	72.3
80.05824	2.3
80.06261	1.5
81.03411	31.9
81.07048	47.8
82.03760	1.7
82.04198	5.0
83.04973	22.0
83.08612	15.6
85.02895	8.4
85.06540	3.2
86.09694	3.6
91.05474	58.0
92.05793	1.9
93.07036	68.6
94.07321	2.1
95.04961	31.2
95.08594	27.1
97.02866	7.1
97.06518	9.3
97.10159	10.8
98.07320	5.2
99.04381	2.6
99.08066	2.3
101.05981	1.3
103.05471	1.3
105.07020	41.2
107.04943	14.6
107.08578	24.0
108.05769	1.2
109.02868	3.0
109.06496	11.3
109.10143	11.8
111.04425	3.5
111.08017	5.3
112.08809	1.1
115.05470	2.6
116.04695	10.5
117.07012	11.8
119.08568	30.1
121.06509	6.1
121.10130	11.7
123.08064	9.0
125.06023	1.9
125.09612	12.4
128.06229	1.9
129.05470	24.4
129.06960	16.8
130.07716	1.8
131.08572	10.4
133.06467	3.3
133.10129	16.1
135.04512	1.1
135.08044	4.0
135.11732	8.0
137.09659	2.1
141.49054	1.1
142.07820	1.5
143.07042	4.6
143.08537	8.9
145.06454	1.7
145.10092	17.4
146.10558	1.3
147.04391	3.3
147.08038	4.0
147.11671	40.7
148.12029	1.7
149.09604	3.8
149.13246	2.7
151.11154	1.5
153.09116	1.6
153.12743	2.6
155.08594	1.1
157.08601	9.9
157.10094	4.1
157.16760	1.1
159.08028	1.4
159.11688	3.6
161.09618	4.6
161.13223	10.5
163.11182	11.8
165.12778	1.6
169.10121	2.5
171.10211	2.4
171.11646	22.2
173.04398	1.2
173.09653	1.4
173.11754	1.6
173.13290	1.7
175.11171	4.1
177.12704	1.3
179.14378	1.4
181.12256	4.3
183.11800	1.8
184.07315	10.4
185.11732	2.2
187.11108	1.2
189.11200	6.5
189.12761	9.1
191.10664	4.6
193.12291	4.0
199.13315	6.4
200.14075	1.3
207.13785	23.9
209.11629	5.7
211.13322	3.6
225.14743	2.4
227.12741	14.6
229.14265	3.1
255.15919	1.3
265.14410	4.1
267.15936	6.8
269.17499	3.0
275.20084	3.5
279.15894	5.0
281.17438	60.2
282.17847	1.8
283.15338	7.7
285.16733	2.5
297.16946	2.3
301.16418	54.8
302.16776	2.0
335.18524	1.9
363.21655	1.3
377.19116	1.3
405.26251	2.6
435.27353	15.9
471.27240	1.3
472.27975	3.2
473.28928	8.3
489.28235	11.0
490.29108	5.2
507.29468	100.0
508.29712	4.8
542.35541	3.5
686.39490	2.5
704.41168	5.8
705.41492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
53.13857	0.8
55.01859	2.8
55.05499	1.9
57.03427	6.4
59.04999	0.8
65.47203	0.9
67.05481	1.0
69.03417	11.1
71.01349	1.8
71.04982	30.8
71.62668	1.3
73.02899	3.5
75.04466	2.3
79.05478	2.7
81.03412	4.9
81.07053	1.8
83.04967	6.7
85.02895	54.6
87.04473	1.8
91.03944	0.8
91.05457	7.5
93.07024	2.9
94.04169	1.1
95.04954	2.4
97.02859	6.8
97.06600	0.8
99.04446	4.9
103.03921	1.0
103.05454	18.7
105.07034	7.1
107.04948	7.8
107.08549	1.0
109.02891	2.3
109.06489	1.2
111.04437	7.2
111.11660	0.8
115.03970	1.0
115.05434	2.3
117.05519	0.9
117.06992	2.6
119.04913	8.3
119.08605	1.2
119.12811	0.7
121.06503	4.5
121.10087	0.8
122.03629	2.9
127.03895	7.5
127.38404	0.8
129.05463	11.9
129.06982	2.8
131.04909	37.4
132.05206	1.0
133.06461	7.9
135.04395	0.8
135.08047	3.3
137.05957	100.0
138.06302	2.1
138.09109	1.2
143.04880	0.9
145.04948	5.5
145.06451	2.9
147.04407	12.6
147.06502	4.8
147.08003	1.5
148.05115	1.0
149.04765	1.3
149.05962	26.7
149.09540	0.8
151.03880	2.4
151.07523	21.1
153.01848	1.5
153.05403	1.0
157.06445	3.4
159.04401	1.8
159.07965	1.0
160.05174	1.3
161.04608	1.6
161.05957	29.7
161.09535	4.8
162.06798	3.9
163.07521	86.3
164.07948	1.5
165.05437	0.9
165.09048	4.4
167.07011	3.1
169.06480	1.2
171.08031	1.6
171.68965	0.8
174.06697	2.0
175.07520	17.4
176.04643	1.3
177.05435	8.2
177.09074	16.4
178.06229	0.9
178.09375	1.0
179.07007	15.5
179.10683	2.6
181.05023	1.3
181.08601	7.8
185.05948	1.4
187.07538	3.5
189.09074	18.5
191.06995	10.6
191.10533	1.0
193.08554	2.7
195.08148	1.5
195.10112	1.8
197.05972	1.2
197.07961	0.9
199.07520	2.3
201.09128	3.1
203.06955	4.8
203.10532	1.8
205.08533	3.3
207.10136	25.2
209.08119	1.1
213.09055	1.8
215.07076	2.1
215.10461	1.0
217.08640	4.8
219.10065	6.8
221.05983	1.1
221.08026	2.6
221.11569	6.9
223.07608	1.2
224.08072	0.8
227.10661	3.0
229.08606	2.8
231.10144	3.2
233.08066	2.6
241.08549	1.2
243.10065	1.5
245.08022	2.8
247.09662	1.4
249.11194	2.9
253.08553	1.0
253.12173	2.0
255.10162	3.8
259.09641	2.2
261.11383	1.1
263.09103	2.2
265.08502	1.5
269.08008	1.0
271.09494	1.5
273.11215	1.5
275.09180	2.7
277.10651	3.1
281.11768	2.3
285.11133	2.1
287.09604	1.2
287.12723	5.1
289.10687	2.0
295.11923	3.7
297.11459	1.0
299.12775	3.2
305.10129	1.3
307.11871	9.5
309.11209	1.9
311.12686	3.6
313.14230	4.9
317.13873	3.2
323.11618	1.6
325.14264	3.2
331.15356	35.9
332.15695	1.3
337.14404	1.5
341.12427	3.7
343.15378	7.4
345.16946	2.3
355.15433	2.2
361.16409	2.5
371.14783	1.4
373.16202	1.2
441.19476	0.9
453.19113	4.0
471.19885	2.7
489.21158	1.1
511.12756	1.1
527.86865	1.1
671.08972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28434	1.0
52.56605	1.0
53.03936	9.8
55.01865	17.4
55.05503	35.7
55.44881	1.0
57.03431	10.4
57.07069	2.0
59.04968	1.1
60.28450	1.0
61.02912	2.0
63.84145	1.0
65.03924	5.7
67.05495	67.7
69.03063	2.0
69.03418	26.3
69.07059	36.5
69.64230	5.8
69.64651	2.2
70.06586	1.2
71.01336	1.3
71.04973	9.2
73.02901	2.8
77.03926	1.7
79.05484	56.3
81.03406	89.8
81.07045	77.0
82.07356	1.3
83.04972	23.4
83.08602	22.1
85.02900	17.1
85.06535	4.2
88.07631	2.0
89.65833	1.0
91.05469	76.3
93.07030	52.1
95.01331	9.3
95.04956	31.2
95.08594	41.6
97.02874	17.8
97.06520	26.1
97.10143	11.7
98.21446	2.0
99.04449	6.4
99.08095	1.7
101.02312	1.3
102.09133	1.5
103.05460	2.9
105.07014	81.4
106.07388	1.6
107.04942	24.0
107.08577	30.2
107.09279	2.1
109.02866	16.4
109.06507	10.8
109.10142	15.3
111.04433	11.7
111.08068	11.4
113.05956	1.2
113.09633	1.9
114.76296	1.1
115.05444	3.8
117.06998	23.4
119.04965	1.4
119.08566	52.9
121.06472	7.2
121.10123	17.4
123.04433	4.3
123.08067	6.2
123.11655	5.2
123.53367	1.0
125.09634	6.3
127.03898	11.0
128.06213	4.3
129.05486	1.7
129.06987	17.3
130.07747	2.0
131.04909	3.0
131.08554	32.8
131.09505	2.3
133.06468	6.5
133.10110	43.3
135.08022	6.3
135.11670	12.2
137.05963	1.7
137.09590	5.7
139.07565	1.8
141.06970	4.8
142.07779	3.7
143.08540	11.2
145.06454	5.7
145.10100	25.7
147.04321	1.1
147.08058	6.0
147.11668	26.2
149.02385	1.4
149.06001	1.2
149.09602	13.6
149.13237	4.5
151.07529	2.1
151.11159	3.1
153.06998	1.5
153.09059	1.2
153.12759	2.6
154.07771	1.3
155.08524	7.6
157.06511	2.0
157.10104	16.2
158.10765	1.0
159.08087	3.6
159.11656	16.4
161.09648	3.9
161.13223	7.0
163.11145	10.8
163.14810	1.4
165.09102	1.6
165.12799	3.7
167.08582	3.8
169.10117	7.3
171.08061	2.4
171.11661	6.3
173.04401	7.3
173.09630	3.3
173.11859	1.6
173.13290	4.9
175.11160	9.7
177.12668	5.7
179.08597	1.8
179.14287	13.1
181.10136	4.1
181.12233	4.3
183.08040	1.4
183.11681	5.7
185.09592	2.1
185.13313	2.8
187.07578	1.4
187.11200	4.6
187.14818	1.4
189.11224	2.6
189.12755	1.9
191.10667	2.5
193.05020	1.6
193.10326	2.3
193.12224	20.9
195.11717	2.9
195.13736	1.6
197.13303	4.7
199.11180	2.7
199.14828	3.0
201.12823	2.1
203.14394	1.4
205.12216	2.2
207.11789	1.7
207.13747	1.2
209.13329	2.8
211.11253	1.4
211.13199	22.0
213.12720	2.7
215.14334	1.8
219.11774	1.3
221.13242	1.5
223.13158	1.8
227.12639	6.4
229.19595	2.7
238.89513	1.4
239.17950	3.7
241.14326	2.4
247.20641	2.9
249.15001	1.4
256.26389	2.0
257.19049	9.7
267.15866	8.0
273.18533	3.5
275.20023	89.8
285.17029	4.3
291.19620	2.9
293.20984	7.1
299.20038	2.0
301.14368	1.9
313.21558	1.6
321.18188	1.1
337.16522	3.3
349.23779	14.6
355.13660	1.1
355.17325	6.1
363.17957	1.4
387.25507	1.2
395.20743	1.3
401.23120	1.2
411.20117	8.3
419.24280	2.2
443.28113	2.4
449.30588	2.7
461.29086	2.3
475.26895	1.6
481.48807	1.1
513.36548	1.6
523.33997	2.6
541.35162	30.0
541.43127	1.9
559.36298	10.3
583.36322	1.7
611.35815	1.3
625.37756	1.5
649.37164	2.6
667.38007	5.0
685.39441	12.3
703.40283	100.0
704.40686	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	703.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	2.4
53.03936	11.8
53.49147	1.3
55.01618	1.5
55.01865	15.0
55.05256	2.3
55.05502	33.4
57.03429	14.4
57.07066	1.7
61.02911	2.1
65.03923	5.9
67.05495	68.0
69.03416	26.6
69.07059	26.5
69.51118	6.2
69.51561	5.1
71.01345	1.4
71.04978	10.6
73.02908	1.8
79.05480	62.2
80.52439	1.3
81.03407	100.0
81.07047	71.4
83.04968	22.3
83.08602	27.3
85.02893	23.0
85.06535	4.1
85.25468	1.3
87.04452	1.9
87.22928	1.6
91.05468	64.9
93.07030	44.2
95.01279	1.6
95.04956	31.1
95.08593	35.2
97.02880	21.3
97.06513	13.2
97.10155	12.6
99.04437	6.4
99.08071	3.0
102.98296	1.3
103.05431	2.0
105.04561	2.0
105.07013	59.8
107.04943	13.6
107.08580	39.9
109.02864	21.3
109.06503	10.5
109.10140	16.7
111.04407	13.6
111.08062	10.6
113.05982	2.8
115.05422	4.5
117.07011	19.7
119.04918	2.2
119.08565	46.4
121.06468	11.1
121.10114	16.9
123.04439	3.1
123.08045	7.2
123.11704	4.6
125.02441	1.9
125.05967	1.6
125.09597	8.7
126.49308	1.3
127.03915	11.0
128.06209	4.9
129.05487	2.9
129.06981	18.7
131.04892	3.3
131.08546	32.0
133.06482	6.1
133.10120	28.6
135.08032	7.0
135.11670	10.2
137.09619	4.5
141.06975	7.0
142.07762	3.7
143.08536	15.3
144.09387	1.8
145.04898	1.7
145.06490	6.5
145.10107	27.2
147.04387	2.9
147.08035	7.8
147.11674	27.5
149.09604	14.5
149.13254	2.8
151.11179	3.6
153.06923	1.8
153.09081	1.8
153.12674	2.7
155.08513	8.9
156.09319	2.3
157.06465	3.8
157.10104	19.3
159.08089	4.3
159.11646	15.4
161.09628	4.9
161.13223	8.1
163.07594	1.4
163.11119	12.1
165.07016	1.9
165.12776	6.0
167.07220	1.5
167.08592	4.3
169.10141	7.2
171.08131	3.1
171.11639	10.4
173.04443	11.1
173.09610	4.1
173.11836	2.8
173.13292	6.3
175.11160	11.1
177.12749	4.0
179.08519	1.9
179.14320	4.8
181.10147	4.1
181.12238	4.0
183.11667	10.2
185.09618	4.2
185.13286	4.2
187.11214	3.8
187.14752	2.4
189.11198	5.8
189.12794	3.7
191.10678	3.6
193.10315	2.5
193.12206	28.5
195.11711	4.0
197.09647	2.8
197.13368	3.6
199.11050	3.1
199.14772	2.0
205.12236	1.4
207.11705	1.8
209.09651	1.7
209.13284	3.3
211.11224	1.9
211.13222	30.7
213.12708	3.3
215.10750	1.7
215.14345	2.0
219.11685	1.3
223.14966	1.6
227.12675	9.9
229.19499	3.6
231.13794	2.5
239.17953	3.5
247.20532	3.3
255.13667	2.0
257.19028	13.6
267.15869	14.4
273.14911	3.7
273.18359	1.7
275.20038	49.4
285.16919	8.3
291.19556	1.7
293.21179	4.9
299.20044	3.2
301.14270	1.9
313.21603	3.0
319.15469	2.4
331.22665	4.3
337.16443	4.3
337.21579	2.2
337.73480	1.3
341.21304	1.6
349.23853	11.8
351.14182	1.4
351.23334	2.0
355.17578	5.1
365.21405	1.8
373.23975	1.6
383.22299	4.2
393.19049	2.0
401.23285	3.2
411.20154	4.9
419.24496	2.8
439.24329	1.7
449.30801	1.9
457.26126	2.3
467.31430	3.2
475.27042	2.3
485.31937	2.3
513.35547	2.4
523.34375	7.9
541.35187	38.4
559.36401	12.0
577.36688	1.5
583.36426	3.6
607.36194	1.5
621.37836	1.7
625.37329	1.8
639.38391	2.0
649.37335	3.1
667.38104	7.8
685.39349	14.3
703.40381	91.2
704.40405	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	702.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89430	0.1
52.73842	0.1
55.01870	0.1
55.05492	0.4
56.05033	0.7
57.03423	0.3
57.07056	0.4
58.06617	0.3
59.07393	0.1
60.02385	0.1
60.08155	6.5
67.05498	1.2
69.07067	0.6
69.39508	1.0
70.06571	0.1
71.04966	0.2
71.07363	3.1
71.08624	0.2
71.28989	0.1
79.05477	0.6
81.07047	1.2
83.04962	0.2
83.08609	0.4
85.06509	0.1
86.09694	29.7
87.10022	0.3
91.05474	0.4
93.07021	0.7
95.08601	0.6
97.06522	0.3
97.10155	0.2
98.21214	0.4
98.98446	2.6
104.10732	2.4
105.07024	0.2
107.08585	0.6
109.10173	0.5
119.08542	0.2
121.10138	0.4
121.88726	0.1
123.11713	0.2
123.58442	0.1
124.99989	19.1
131.08566	0.1
133.10118	0.2
135.11676	0.2
143.01044	0.3
147.11815	0.1
149.13239	0.4
159.11568	0.1
166.02640	0.4
168.99588	0.1
173.11688	0.1
184.07315	100.0
184.46069	0.1
185.07668	1.2
221.87776	0.1
229.14340	0.3
231.27020	0.1
269.17453	1.5
311.25836	0.8
351.28879	0.2
424.79892	0.1
496.34042	0.3
505.38849	2.0
506.39267	0.2
702.47217	10.7
703.47437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01862	1.5
55.05495	3.3
56.91301	0.4
57.03230	0.3
57.03434	3.6
61.02916	1.5
61.52204	0.4
65.03934	0.4
67.05457	0.8
69.03416	8.8
69.07077	0.4
71.01329	0.8
71.04980	16.3
71.36112	0.7
71.36439	0.5
72.20109	0.5
72.23887	0.4
73.02893	1.2
75.04463	1.3
78.16469	0.4
79.05495	1.0
81.03391	1.8
81.07074	0.8
83.04966	21.1
85.02890	36.8
87.04443	1.2
89.59276	0.4
91.03967	0.6
91.05463	3.6
93.03405	0.5
93.07029	1.0
94.04162	0.4
95.04955	2.9
95.08620	0.6
97.02877	5.2
97.06496	0.5
99.04430	1.9
101.06002	0.7
102.04650	0.6
103.03927	0.6
103.05446	18.2
104.05774	0.5
105.07008	2.7
107.04916	2.5
109.02867	2.3
109.03474	0.4
109.06495	1.0
111.04418	11.0
114.41703	0.4
115.05418	1.2
117.06998	1.3
119.04913	4.5
119.08527	0.5
121.06504	3.0
121.10143	0.5
123.04396	0.7
123.08033	1.7
124.05249	0.5
125.05939	0.6
127.03896	4.2
129.05440	8.4
130.04117	0.7
131.04903	84.2
132.05240	1.2
133.02829	2.0
133.06462	2.8
135.04379	1.3
135.08005	1.4
137.05951	9.9
138.06746	1.0
143.04918	0.5
144.05638	0.4
145.04967	2.5
145.06447	1.6
147.04396	7.2
147.06479	3.0
147.07489	0.4
148.05075	0.5
149.05977	6.1
150.06679	1.0
151.03810	1.2
151.07515	7.5
153.01779	0.8
153.05455	6.5
159.04362	0.5
159.07985	0.5
161.05971	4.9
161.09637	0.4
162.06743	6.9
163.07513	100.0
164.07840	1.4
165.05453	4.6
165.09151	2.0
167.07019	8.7
169.08516	0.9
171.04446	0.6
173.05925	2.7
175.07532	1.6
177.05434	4.5
177.09109	0.5
179.07004	17.4
181.04878	0.5
181.08557	7.8
185.05994	0.5
187.07532	1.5
189.05386	2.4
189.09068	1.0
190.06245	0.6
191.06990	4.8
193.04910	4.5
193.08560	3.4
193.71268	0.4
195.06473	1.2
197.08061	10.0
199.07722	0.7
199.09613	3.5
201.05464	0.6
201.09026	0.8
202.36763	0.5
203.06953	2.9
205.08575	2.0
207.06482	1.2
209.08012	3.0
211.09525	1.2
213.05388	0.9
215.06905	0.8
215.10699	0.6
217.04857	0.5
217.08542	1.4
219.06480	1.9
219.10068	1.0
221.04297	0.5
221.07997	8.0
223.09619	3.0
227.06966	0.5
229.08524	1.4
231.06425	0.9
231.09984	0.5
233.07974	2.4
235.09621	1.5
237.07492	1.4
239.09093	5.4
243.10173	1.0
245.08038	1.5
247.09613	1.7
249.07344	0.5
251.09157	0.6
255.08559	1.2
259.09567	1.0
261.11215	2.2
263.06833	0.6
263.09164	5.0
265.10745	0.8
271.09451	0.9
273.09619	0.8
277.10709	0.7
279.12170	2.4
289.10580	4.3
291.12347	0.6
295.11850	0.8
307.11740	9.4
309.11115	1.2
315.12201	1.0
325.12759	22.9
327.12177	11.4
341.13751	1.0
343.13898	1.6
345.13452	0.6
347.14688	1.4
353.13736	0.8
357.13171	0.5
359.14810	7.3
369.12985	0.5
371.14740	1.6
374.74719	0.5
377.15866	9.1
377.20209	0.3
380.48917	0.5
387.14349	0.6
389.15875	4.1
401.15875	1.5
413.15997	3.6
439.17035	2.5
443.16943	1.5
457.18106	1.3
469.18442	6.5
487.19156	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.0
54.54169	2.6
55.01622	4.7
55.01867	60.7
55.05509	43.7
55.85474	2.9
57.03435	20.7
57.07069	100.0
65.84289	3.5
67.05496	59.5
69.03422	47.6
69.07051	34.7
71.04960	3.5
71.08624	40.2
71.36780	6.5
73.02920	7.0
79.05485	40.5
81.03403	33.0
81.07047	65.7
83.04974	29.4
83.08607	35.5
85.02902	25.2
85.06555	3.9
85.10184	25.7
91.05466	35.0
93.07044	20.9
95.04965	17.2
95.08593	53.7
97.02908	23.2
97.06517	24.7
97.10161	12.4
99.08121	3.6
105.07000	19.5
107.04952	12.6
107.08564	9.6
109.02899	7.8
109.06502	6.2
109.10148	40.9
111.04441	6.1
111.08067	16.8
111.22018	3.6
115.03906	5.5
118.55441	3.1
119.08561	21.6
121.10178	16.2
123.08026	4.3
123.11684	10.4
124.99976	3.0
127.03893	7.4
127.11205	9.2
129.05453	6.6
131.08519	10.8
133.10100	8.8
134.21329	3.1
135.04459	3.8
135.11668	8.0
137.09573	3.8
137.13205	4.4
139.11188	3.6
143.07098	3.1
145.10088	4.1
147.11697	16.9
149.09599	6.6
153.05505	4.4
157.10172	6.1
158.05688	8.0
163.11099	6.9
164.11929	3.5
165.12662	4.3
171.06477	11.6
175.11165	10.0
184.07327	11.1
185.08035	7.1
190.04791	3.2
193.12224	27.2
199.09627	8.6
209.11694	4.7
211.13292	16.8
213.11214	4.3
227.12769	16.6
229.14389	12.4
239.23692	13.7
250.72675	2.9
255.15833	17.5
267.15988	8.5
269.17444	8.7
297.20538	4.1
308.49704	3.8
311.19009	4.0
311.22165	19.2
311.25385	4.1
313.27328	43.4
325.23737	5.6
339.25082	4.8
354.27643	4.5
355.28394	4.1
367.28342	21.9
381.29968	13.2
395.31595	34.5
409.33310	5.7
420.17874	3.4
437.36469	3.5
438.37003	10.3
451.34085	4.4
465.35904	4.1
467.37259	8.1
521.38232	20.4
522.38940	6.6
523.39795	19.2
539.39056	4.1
544.89215	3.3
665.39594	3.1
701.49426	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	700.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.5
53.03939	0.7
57.03428	0.5
60.44768	0.4
65.03934	0.9
67.05495	0.8
69.03409	1.8
71.62162	0.7
79.05479	2.3
81.03388	1.1
81.05784	0.6
81.07040	0.8
82.06557	1.0
85.02886	2.5
91.05457	1.9
93.07026	4.7
93.79683	0.5
94.06557	5.9
95.04929	1.1
95.07335	3.9
95.08605	1.0
96.07660	0.5
96.08116	12.5
97.02869	1.6
97.06517	1.2
103.05445	0.4
105.05733	0.4
107.07344	0.8
108.04480	0.6
108.08105	9.1
109.02871	0.8
109.08917	0.6
110.09660	20.4
110.75153	0.5
111.10008	0.5
116.04966	1.0
118.06524	0.6
120.04449	4.7
120.08093	14.7
121.06482	0.6
121.10136	0.6
122.06030	3.4
122.09629	1.3
123.06750	0.6
124.07565	4.4
127.03947	0.7
128.05270	0.6
132.08060	0.7
134.05969	1.1
136.07564	7.6
137.05966	1.3
138.05469	3.3
138.09111	33.8
139.09459	1.0
144.04401	3.5
146.06001	3.7
148.07539	5.3
150.05470	0.7
150.09123	1.7
152.07031	1.5
160.03915	1.8
160.07532	0.8
160.81244	0.5
162.05499	2.2
164.07027	1.2
166.04976	3.4
166.08609	57.6
167.08910	1.3
172.03899	23.6
174.05463	1.2
178.04979	1.1
183.09204	0.5
184.07458	0.6
188.06964	0.6
190.04947	11.5
192.06538	0.9
197.10753	0.7
204.06549	10.2
206.08102	0.8
209.10648	0.8
209.15411	0.5
211.08646	0.6
211.12283	0.9
212.09441	2.1
213.14815	0.5
216.06525	1.2
218.04558	0.6
222.11504	0.6
223.08661	0.8
223.12318	0.9
224.09427	1.4
225.10193	2.8
226.10869	1.3
227.11678	2.6
235.08812	0.7
235.12328	0.6
236.09279	2.2
237.10162	8.6
238.10944	1.5
239.01636	0.5
239.08009	1.3
239.11784	2.9
241.09671	2.0
245.12915	1.9
247.14400	3.6
249.10162	1.3
250.07384	1.1
250.10995	1.0
251.08150	1.6
251.11763	6.3
252.08878	1.3
252.12379	1.0
253.09633	4.2
253.13300	1.1
255.11276	1.7
260.05533	0.6
263.11676	1.6
264.08914	0.9
265.09677	14.9
266.10275	2.4
267.11240	3.3
268.08389	0.8
269.09265	0.5
269.12701	0.9
269.19040	0.6
271.10767	2.2
273.12259	4.9
278.06567	5.0
279.11227	9.5
280.08514	1.5
280.11975	0.9
281.09213	1.4
281.12854	2.3
282.09921	0.7
283.10745	4.7
285.12375	1.7
289.09485	1.0
291.11343	1.0
292.08160	2.0
293.09155	14.0
294.09891	3.7
295.10593	0.8
296.11060	0.6
297.12256	6.3
299.10248	3.1
299.13647	0.8
300.10947	1.4
307.10748	4.6
309.12283	2.0
311.10217	2.8
312.10968	3.5
313.11700	4.5
323.10129	0.8
325.11761	17.6
326.12219	0.6
327.13486	1.0
331.15771	0.6
335.10181	9.3
340.10416	2.6
341.11230	12.9
341.14993	0.8
342.11945	0.7
343.12982	1.3
347.16086	0.6
353.07132	1.0
353.11279	12.6
354.11575	0.7
355.12811	0.6
357.14545	4.0
373.13895	9.3
374.14276	0.6
385.13892	5.4
386.14383	0.6
400.70105	0.5
406.17972	0.6
418.17450	1.8
432.19183	1.0
437.19626	0.9
442.17871	0.6
460.18527	1.9
462.20215	1.3
465.18994	4.9
468.21280	0.5
470.17169	0.6
478.19705	3.9
488.18024	4.8
492.21170	0.8
493.17911	0.5
506.19150	100.0
507.19348	5.2
510.22375	1.5
520.20636	1.8
525.20380	0.7
538.21765	29.5
539.21722	2.9
631.41992	0.5
668.23914	1.1
708.36975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92512	1.5
55.01871	1.8
55.05262	2.1
55.05505	27.3
57.03425	7.5
57.07066	15.5
61.02919	26.2
67.05495	38.7
68.05815	1.8
68.26069	1.7
69.03413	3.3
69.07057	50.8
71.04958	3.1
71.08626	12.2
71.62785	2.6
73.02887	7.4
75.04451	3.4
79.05479	18.0
81.03415	3.5
81.07043	44.4
83.04954	1.7
83.08131	3.4
83.08602	40.6
85.02898	26.8
85.06525	3.0
85.10155	5.1
91.03938	26.9
91.05480	2.7
93.07031	23.1
95.08590	47.0
97.02879	14.1
97.06515	8.8
97.10155	21.9
99.08076	3.5
105.07012	2.6
107.08579	19.2
109.10136	26.5
111.08063	4.8
111.11726	10.2
121.10125	38.7
123.11687	9.1
125.09602	4.7
127.03899	9.6
135.11681	36.9
137.13251	3.1
139.11157	2.8
145.04922	13.8
149.13216	14.4
151.14787	4.7
163.06001	23.0
163.14781	4.6
165.16394	5.1
177.16356	4.6
191.17966	2.8
247.24168	33.9
265.25238	84.5
266.25586	3.1
283.26285	16.7
339.28882	100.0
340.29153	6.8
357.29971	78.5
358.30350	2.5
484.76166	1.8
501.34155	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	699.43
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.4
55.01867	3.4
55.05502	17.2
57.03426	18.5
57.07066	59.5
65.03894	2.1
67.05488	43.9
69.03407	6.2
69.07047	17.3
71.01321	6.8
71.04977	4.5
71.08622	39.8
73.02895	2.5
79.05476	27.7
81.03402	78.6
81.07046	43.8
83.04964	10.6
83.08605	31.7
85.02900	24.5
85.10164	23.4
91.05462	25.1
93.07016	15.6
95.01312	7.5
95.04959	32.5
95.08587	35.4
97.02865	12.0
97.06495	4.1
97.10132	9.1
97.38535	2.1
98.20704	4.5
103.03901	2.4
105.07014	17.7
107.04926	8.7
107.08564	9.1
109.02810	2.3
109.06472	6.3
109.10134	16.7
111.04402	5.0
111.08031	9.5
113.02341	4.4
113.05957	2.6
117.07021	4.4
119.08573	18.2
121.06463	2.8
121.10120	9.4
123.08052	2.8
123.11714	4.8
125.02335	6.6
125.09624	3.0
129.06976	9.8
131.08524	11.2
133.06456	2.7
133.10106	6.9
135.11630	2.4
141.01793	25.3
142.07739	3.0
145.09990	2.5
147.08018	3.5
147.11667	14.8
149.09590	7.7
157.10118	14.0
163.11205	3.7
165.12730	3.8
175.11150	14.6
191.10635	2.2
193.12199	47.2
193.13847	3.6
211.13242	58.3
218.75394	2.0
227.12791	3.8
229.14409	2.5
239.23637	12.3
249.14948	2.5
267.15854	42.2
285.16852	13.9
313.27298	100.0
341.15744	2.1
369.15283	4.5
401.73358	2.3
425.17850	3.4
443.18744	11.9
453.28009	2.9
489.30667	2.1
505.38849	37.6
506.39392	3.5
523.39832	95.6
524.40350	3.9
547.39441	4.0
681.41553	9.6
699.43408	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	698.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01849	0.8
55.05501	6.5
57.03420	1.5
57.07053	0.9
61.02925	1.1
65.03915	0.9
67.05492	9.5
69.03426	3.6
69.07059	6.0
69.55376	5.2
71.04971	0.8
79.05480	7.7
81.03413	2.1
81.07042	21.1
83.05000	1.0
83.08613	5.1
85.02890	7.5
85.06523	1.7
90.83311	0.6
91.05462	8.6
93.07024	17.0
95.04964	2.0
95.08591	30.4
97.02869	2.8
97.06517	2.3
97.10133	1.3
99.04440	0.7
99.08073	9.5
101.22974	0.6
105.06277	0.9
105.07011	29.0
107.08577	35.6
109.02852	0.9
109.06477	3.4
109.10137	25.7
110.61945	0.6
111.08064	2.8
113.05968	1.0
115.05423	1.0
117.06992	3.4
119.08561	61.7
119.83172	0.6
121.06504	3.3
121.10123	28.2
123.08051	4.1
123.11695	6.3
125.05976	1.5
125.09619	1.0
127.03897	1.8
127.07515	1.0
128.06255	1.1
129.05423	0.7
129.06950	3.2
130.07831	0.9
131.04990	1.0
131.07054	1.1
131.08545	26.5
133.06456	0.8
133.10110	30.3
135.08052	4.5
135.11667	13.9
135.20616	0.6
137.05969	3.2
137.09599	5.4
137.13232	2.1
139.07549	0.9
139.11131	0.8
142.07733	2.3
143.08533	13.6
144.06580	1.1
144.09341	1.5
145.04941	1.5
145.10097	37.8
147.08040	3.0
147.11668	28.8
148.12105	0.8
149.09605	3.3
149.13237	8.1
151.07550	2.4
151.11169	1.3
151.14796	1.2
153.09053	0.8
155.08473	3.2
156.09302	2.0
157.10100	18.7
158.10872	2.2
159.08047	1.3
159.11664	30.1
161.09627	4.1
161.13232	20.2
162.07628	1.2
163.07510	4.2
163.11124	3.9
163.14812	7.0
165.12569	0.8
167.06972	1.0
167.08572	0.7
169.10103	6.0
170.10864	3.0
171.08084	0.7
171.11668	17.0
171.13123	1.2
172.12515	1.7
173.09654	1.2
173.11723	1.5
173.13235	30.6
174.13803	0.7
175.11247	1.5
175.14804	33.8
177.09085	4.5
177.12695	3.7
177.16348	6.3
179.10742	0.9
179.14285	5.1
180.08665	2.1
181.08661	1.5
181.10121	2.3
182.10858	1.3
183.11652	8.9
184.12422	1.1
185.09592	0.9
185.13225	29.5
186.13686	0.8
187.11319	1.5
187.14790	48.5
188.15140	1.1
189.09105	1.3
189.12662	5.0
189.16354	7.7
191.10666	1.1
191.14270	14.3
193.15851	1.6
195.11714	2.2
195.13824	2.1
195.49617	0.7
196.12517	0.9
197.13240	10.3
198.14047	1.2
199.11081	0.8
199.13142	0.7
199.14784	31.7
201.12701	2.5
201.16350	35.3
202.16699	0.8
203.10825	0.8
203.14293	17.1
203.17957	4.2
205.12234	1.9
205.15851	7.0
207.11877	0.7
207.13828	1.9
207.17439	0.7
208.12383	0.7
209.13275	3.8
209.15175	1.1
211.14818	9.0
212.15486	0.7
213.12962	1.3
213.16353	29.0
214.17018	0.6
215.14349	4.6
215.17902	5.1
217.12303	1.4
217.15833	5.4
219.13756	4.0
219.17371	5.6
221.13379	1.2
221.15382	2.4
221.77103	0.6
222.13974	1.1
223.15038	3.2
223.16534	3.2
225.16408	3.6
227.14334	0.7
227.17891	7.2
229.15903	3.2
229.19507	2.0
231.13837	1.9
231.17372	3.5
233.15355	4.4
235.13017	3.0
235.16960	0.7
237.14552	1.2
237.16371	2.6
239.17958	5.4
241.16014	0.7
241.19412	3.6
243.13731	1.4
243.17522	1.5
245.15338	11.1
245.19078	0.9
247.16907	4.3
249.14774	16.4
251.18166	3.1
253.19510	4.5
254.20245	0.8
255.17447	0.8
255.21007	2.2
257.15262	0.8
258.16254	1.0
259.16895	21.9
263.16058	0.9
263.18231	0.9
265.19742	1.6
267.18036	0.9
267.21002	6.0
269.19058	1.0
273.18536	3.4
277.19614	0.8
279.21133	2.1
281.22708	1.1
283.20462	1.1
285.18484	1.3
287.20081	1.1
291.20923	0.9
293.22800	0.7
295.20447	0.6
297.18518	1.4
297.22067	1.0
299.20007	1.9
299.23260	0.7
303.23264	2.1
307.24130	6.2
309.25696	2.1
319.24081	1.7
321.22015	1.2
323.23685	1.2
325.25076	1.0
335.23535	1.2
337.25229	1.0
343.75406	0.7
349.21555	0.9
353.24713	8.9
363.26694	2.0
363.30627	1.0
365.24582	1.1
369.01779	0.7
371.25772	2.6
373.28796	5.9
375.30597	3.6
381.27881	2.6
391.29913	28.8
393.31519	9.2
401.28262	1.8
409.31140	18.9
411.32520	2.8
419.29404	19.8
421.30951	1.5
427.32031	2.0
437.30447	64.3
438.30814	2.0
439.32025	2.7
447.29031	1.4
455.31503	100.0
456.32288	3.0
465.30026	10.9
473.32547	40.7
474.33145	1.1
483.30984	27.2
484.30991	1.1
501.32083	30.3
502.32422	1.1
519.33221	5.4
634.61871	0.6
635.37451	3.5
663.36890	1.8
698.34412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01843	0.3
55.05512	1.4
57.03430	1.4
61.02916	4.1
63.01499	0.3
67.05499	2.6
69.03416	2.7
69.07055	1.2
71.01344	0.4
71.04970	1.0
73.02905	2.9
79.05503	2.5
81.03409	4.8
81.03846	0.4
81.07053	3.0
83.04967	1.2
83.08618	2.2
85.02898	7.0
85.06544	0.5
91.03944	2.7
91.05475	3.4
93.07024	2.5
95.04943	2.8
95.08575	2.1
97.02872	4.8
97.06526	0.8
98.20773	0.7
98.36308	0.3
99.04441	0.8
101.02361	1.5
103.03918	0.6
105.07025	2.7
107.04944	0.7
107.08582	1.7
109.02893	1.1
109.06523	0.7
109.10132	1.2
111.04411	0.3
111.08079	0.9
113.06040	0.3
117.07021	0.3
119.08576	2.7
121.10146	1.4
123.08049	0.6
123.11718	0.6
125.09564	0.3
126.20380	0.3
127.03915	2.3
127.07545	0.3
129.07028	1.1
131.08582	1.5
133.10098	1.9
135.11702	0.5
137.05995	0.9
145.04938	0.4
145.08577	0.4
145.10135	0.6
147.04382	0.5
147.08090	0.4
147.11650	1.6
149.09601	0.7
157.10123	1.4
163.11200	0.3
165.12701	0.3
169.41460	0.3
175.11150	1.4
184.07362	0.8
185.04234	0.5
191.14261	0.3
193.12224	2.6
194.12599	0.4
211.13205	2.0
241.41769	0.3
243.08360	2.3
251.12537	2.2
285.16855	0.5
287.05527	0.6
287.17612	0.4
291.26520	0.4
303.23218	0.4
307.15146	0.9
309.27878	0.4
418.36658	0.3
450.49924	0.3
469.20416	15.0
470.21014	0.4
503.09982	0.3
535.29150	0.4
697.33936	100.0
698.34174	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	696.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.00131	0.7
55.01870	1.2
55.05258	0.9
55.05502	11.5
55.79713	0.7
57.03431	5.2
57.07065	7.5
61.02916	21.2
65.03917	1.2
67.05492	47.6
68.05820	0.7
69.03410	2.7
69.07056	16.7
71.04972	1.9
71.08604	4.6
71.63078	0.9
71.63451	0.9
73.02903	8.5
76.13910	0.7
79.05482	14.4
81.03404	1.5
81.07043	64.6
83.04966	1.5
83.08611	13.2
85.02895	25.4
85.06514	2.1
85.10191	1.3
87.04460	0.9
91.03388	1.3
91.03944	20.0
91.04941	1.1
91.05464	10.6
93.07027	18.3
95.04960	1.6
95.08592	56.3
97.02878	12.2
97.06537	4.5
97.10160	9.9
99.04425	1.5
99.08081	2.3
103.03941	0.7
105.07011	8.7
107.07864	0.8
107.08578	13.2
109.02867	1.0
109.10138	29.3
111.08049	2.7
111.11686	2.3
113.09610	2.2
115.03912	1.3
119.08562	10.7
121.10130	18.3
123.11678	15.8
125.09626	1.5
125.13223	1.6
127.03886	9.1
127.11100	0.9
133.10115	11.3
135.11673	8.6
137.09543	1.8
137.13257	6.8
139.11180	1.1
141.12706	2.2
145.04944	11.3
147.11670	8.4
149.13251	7.7
151.11166	1.9
151.14830	4.7
153.12762	0.8
155.14293	2.8
161.13210	11.5
163.04691	1.6
163.05995	21.5
163.14793	8.3
165.12750	1.4
165.16377	8.7
167.14282	0.9
171.13799	0.7
175.14809	10.2
177.16325	1.4
179.17917	6.6
181.15826	0.7
181.61859	0.7
182.04463	0.7
182.06136	0.8
184.07317	2.4
189.16391	3.4
193.15839	1.4
201.13762	0.8
203.17973	1.0
217.19443	1.0
245.22617	59.2
246.22881	0.8
247.24023	1.2
262.61667	0.8
263.23660	100.0
264.23990	1.0
265.25238	2.7
281.24722	3.2
323.60535	0.8
337.27313	44.5
338.27673	1.6
355.28345	12.1
391.40945	0.7
499.32767	1.0
696.31049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01872	0.6
55.05500	16.1
57.03431	6.9
57.07066	8.5
58.28977	0.5
61.02916	22.9
64.66435	0.4
65.03933	1.5
67.05493	56.2
67.39066	0.4
69.03403	2.5
69.07059	22.3
70.32537	2.2
71.01313	0.6
71.04984	1.7
71.08624	5.4
73.02903	8.8
75.04464	1.0
79.05479	15.7
81.03395	1.7
81.07043	72.3
83.04977	1.6
83.08603	17.4
83.10472	0.5
85.02893	24.7
85.06538	2.7
85.10145	2.4
91.03941	21.3
91.05460	11.9
91.06001	0.9
93.07030	18.8
95.04945	0.8
95.08591	63.5
97.02875	13.2
97.03492	0.9
97.06520	6.1
97.10151	10.9
98.21392	0.6
99.04445	1.2
99.08080	3.7
101.02335	0.5
105.07010	9.4
106.00117	0.5
107.08572	16.0
109.02838	0.7
109.06537	0.7
109.10137	33.0
111.08077	3.5
111.11706	3.7
113.09645	2.1
115.03929	1.1
119.08569	11.4
121.10128	18.7
123.08067	1.1
123.11688	17.1
125.09620	1.4
125.13255	1.5
127.03883	7.5
127.11163	1.8
129.09070	0.7
131.08643	0.7
133.10118	13.0
135.11679	11.1
137.09636	1.1
137.13232	7.9
139.11150	1.3
139.14818	0.8
141.12727	2.0
145.04933	10.5
147.11655	9.8
149.13240	9.0
151.11191	1.3
151.14789	6.1
153.12733	1.4
155.14291	2.7
161.13228	11.5
161.64610	0.5
163.05992	18.7
163.14790	9.1
165.12691	1.5
165.16370	9.1
167.14282	0.9
169.15909	0.5
173.13216	0.6
175.14806	9.7
175.16252	0.8
177.16377	1.9
179.14337	1.6
179.17934	6.2
181.15895	1.6
182.18715	0.6
185.15317	0.9
189.16347	4.3
193.15860	1.2
195.88519	0.5
203.17923	1.7
207.17439	0.8
217.19563	1.5
219.21028	0.7
235.97418	0.5
245.22612	59.2
246.22948	1.1
247.24268	0.8
263.23660	100.0
264.24048	2.3
265.25311	2.1
281.24716	3.5
337.27313	66.8
338.27737	1.8
355.28369	19.9
481.31552	0.9
499.32559	7.6
528.11456	0.6
541.15802	0.6
661.36603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
53.03935	0.5
55.01860	0.6
55.05501	1.5
57.03432	1.6
61.02900	0.3
65.03917	0.5
67.05491	2.6
69.03421	2.0
69.07060	1.9
71.04965	0.8
71.62701	0.5
73.02909	0.4
79.05484	3.6
81.03413	1.8
81.07046	5.6
83.04950	0.9
83.08607	0.8
85.02896	4.5
85.06516	1.2
86.09689	0.6
87.04435	0.3
90.36723	0.2
91.05472	4.2
93.07034	8.7
95.04966	2.2
95.08592	6.0
97.02878	1.8
97.06509	1.2
97.10191	0.4
99.04440	2.0
99.08073	5.3
101.65809	0.3
103.05499	0.4
105.06298	0.3
105.07014	7.5
107.04945	1.0
107.07851	0.7
107.08584	13.8
109.02839	0.7
109.06520	1.4
109.10136	3.6
110.10480	0.3
111.04426	0.7
111.08067	1.1
113.05964	0.4
113.09728	0.3
115.05412	0.6
117.05466	1.2
117.07005	1.7
119.04887	0.3
119.08572	11.0
119.09428	0.6
121.06485	1.7
121.10129	4.2
123.04379	0.5
123.08035	1.2
123.11674	1.3
125.06007	0.4
125.09623	0.5
127.03919	1.5
127.07510	0.6
127.11195	0.3
127.34718	0.3
129.06937	1.6
129.14333	0.3
130.07834	0.4
131.04942	0.4
131.07034	6.5
131.08536	7.2
133.06551	0.5
133.10121	8.2
135.04510	0.3
135.08023	1.9
135.11658	2.8
136.11967	0.3
137.05951	2.8
137.09598	0.9
137.13237	0.4
139.11259	0.3
141.06972	0.7
142.07733	0.8
143.08531	4.6
145.04959	0.9
145.06415	0.6
145.08549	0.4
145.08789	0.4
145.10103	7.7
147.04373	0.8
147.08043	1.1
147.11671	9.9
149.09578	1.6
149.13225	1.2
150.28830	0.3
151.03983	0.4
151.07484	0.5
151.11180	0.7
153.01900	0.5
153.09097	0.3
153.12712	1.1
155.07013	0.3
155.08517	1.8
156.09328	1.1
157.10110	7.8
158.10809	0.4
159.06520	0.9
159.08025	0.7
159.11682	6.4
161.05992	0.5
161.09628	2.0
161.13229	3.7
162.07635	0.7
163.07578	0.6
163.11136	1.3
163.14786	0.9
165.08998	0.4
165.12766	0.6
167.07010	1.0
167.08458	0.4
168.09367	0.4
169.10092	3.0
170.10918	0.6
171.11656	8.4
172.12218	0.3
173.09570	0.5
173.13232	9.2
174.13596	0.4
175.07552	0.6
175.11174	1.2
175.14832	1.4
177.09108	0.5
177.12715	0.7
179.14256	0.6
180.08633	3.2
181.08644	0.5
181.10109	1.0
182.10866	0.4
183.11668	5.2
184.07338	2.6
185.09575	0.4
185.13222	5.0
187.11159	0.6
187.14813	4.3
189.09085	0.6
189.12714	2.0
191.10632	0.5
191.12730	0.4
191.14258	1.6
193.12253	0.4
195.11722	1.3
195.63353	0.3
196.12480	0.3
197.13258	4.1
198.18483	0.4
199.11086	0.7
199.14796	5.4
201.12733	0.5
201.16354	2.8
203.14346	0.8
205.08553	0.5
207.11731	0.9
207.13699	0.5
209.13287	2.0
211.13089	0.5
211.14822	3.0
213.12749	0.7
213.16356	2.8
215.14302	1.1
215.17885	0.3
217.12202	1.2
217.15802	0.8
219.11729	0.5
221.13255	1.0
221.15312	0.3
223.11304	0.3
223.14883	1.4
225.16389	1.5
227.14290	0.4
227.17970	1.2
229.16010	0.5
231.13760	0.5
233.13322	0.5
234.13953	0.6
235.13008	0.6
235.14999	0.8
237.16429	1.3
239.17877	1.5
241.15858	0.5
243.13762	0.6
243.17419	0.4
245.15431	0.3
245.18819	0.3
249.16479	2.2
250.14304	0.6
251.17992	2.2
253.19487	1.3
255.17351	0.4
257.15424	0.3
257.18954	0.6
261.16266	0.6
263.17975	0.5
267.17444	1.5
267.20776	0.6
269.19000	1.0
271.20444	0.6
275.17749	0.3
277.19342	0.5
285.18390	0.9
285.22141	0.5
295.17023	1.1
301.19437	0.4
303.21237	0.4
305.22345	0.3
307.20654	0.3
307.24158	0.5
313.17917	4.0
315.21060	0.4
317.22662	0.9
319.23892	0.7
321.11798	0.7
323.23749	0.4
324.18329	0.5
325.25168	0.6
331.18961	5.4
335.23474	2.0
341.13858	0.3
353.24799	1.0
363.23160	1.1
365.20972	0.3
371.26743	0.6
381.24219	1.7
383.22046	0.3
389.28394	2.9
391.29776	0.8
399.25287	9.3
400.25604	0.4
407.29303	4.5
409.31143	0.5
417.27890	1.5
425.30408	2.2
435.28799	3.9
437.30301	0.3
453.29935	10.2
454.30707	0.4
455.31516	0.4
463.27539	0.8
471.31003	100.0
472.31415	3.9
481.29184	2.2
484.76416	0.4
499.30573	3.4
517.31793	2.3
534.30438	0.6
652.42371	0.3
696.36243	0.5
697.33350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
52.62207	0.6
53.03934	2.3
54.04818	0.6
55.01854	2.6
55.05252	1.0
55.05504	12.8
57.03429	17.3
57.07067	1.2
59.04976	0.8
59.10584	0.5
61.02905	1.9
65.03922	1.4
67.05495	42.9
68.05801	0.7
69.03409	2.7
69.07056	11.3
69.34594	0.6
70.71802	1.3
71.01332	2.3
71.04989	5.9
73.02902	1.9
78.64529	0.6
79.05481	31.4
80.05809	1.0
81.03407	50.8
81.07044	41.4
81.10768	0.6
82.03742	1.3
83.04977	8.6
83.08604	16.0
85.02890	5.0
85.06535	4.5
86.09700	4.4
91.03938	1.0
91.05466	23.4
92.05794	0.6
93.07031	36.6
94.07334	1.3
95.04955	16.8
95.08585	10.8
97.02869	3.1
97.06517	11.2
97.10155	6.3
99.04433	1.1
99.08089	2.2
105.07019	14.2
106.07345	0.6
107.04929	4.2
107.07849	1.3
107.08580	26.3
109.06498	4.1
109.10142	8.1
111.04411	1.4
111.08060	5.7
113.05978	0.9
115.05434	0.7
117.06979	5.8
119.04893	0.7
119.07771	1.3
119.08566	15.7
120.08820	0.6
121.06480	2.1
121.10116	12.1
122.10455	0.7
123.04446	0.7
123.08068	2.3
123.11689	7.1
124.99982	3.1
125.09621	2.6
127.03951	0.7
127.07526	1.2
129.07016	5.3
131.08536	7.5
133.06485	1.4
133.10115	9.2
135.08031	1.8
135.11671	34.7
137.09604	2.2
142.07730	1.6
143.08504	0.9
145.10110	6.7
147.04361	1.5
147.08044	1.9
147.11658	16.0
148.11986	0.9
149.09592	4.6
149.13251	4.4
149.33055	0.7
151.11171	2.1
153.12718	1.6
157.10115	6.7
159.11668	2.8
161.09645	0.7
161.13179	0.8
163.11201	6.4
165.12724	5.7
173.11751	0.8
175.11160	6.4
177.12782	1.8
181.12201	6.1
183.13779	0.7
184.07303	12.0
187.13249	1.4
193.10416	0.9
193.12216	16.8
194.12607	0.9
195.13803	2.1
199.13289	1.0
210.89845	0.7
211.13248	5.3
213.14818	0.8
216.19904	0.6
243.15863	6.3
255.15880	66.1
256.16226	1.7
267.15872	54.9
268.16177	3.0
269.17484	7.3
270.17703	0.7
285.16943	10.5
286.17249	1.8
287.18500	6.4
403.24802	1.3
421.25775	9.0
439.26865	2.4
447.27371	100.0
448.27515	4.5
453.28427	23.2
461.28748	3.7
465.28329	6.4
479.29941	18.9
480.30139	1.3
489.28421	2.9
495.29053	1.2
496.29718	1.5
497.30817	14.0
531.30432	1.0
555.29382	0.9
623.34668	1.0
694.40009	1.1
695.32593	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58893	0.7
51.02377	0.7
53.03922	2.9
55.01864	2.5
55.05503	10.4
57.03426	13.6
57.07062	2.2
57.98732	0.9
59.04998	1.0
60.08153	3.5
61.02905	3.2
65.03918	1.6
67.05494	48.5
68.05812	1.2
69.03408	4.3
69.07057	13.9
71.01337	0.7
71.04979	11.6
71.07350	3.9
73.02907	1.3
73.12148	0.7
77.03886	0.9
79.05478	27.5
80.05819	1.3
81.03406	56.2
81.07044	46.3
82.03741	1.6
82.07378	1.5
83.04969	10.4
83.08604	18.1
85.02898	11.2
85.06530	3.9
86.09696	18.3
91.03951	1.4
91.05467	26.1
92.05796	1.1
93.07030	37.7
94.06574	0.8
94.07349	1.7
95.04951	20.6
95.08585	16.4
96.05289	1.3
96.68803	0.7
97.02876	4.6
97.06513	9.9
97.10153	3.1
97.39155	0.7
98.98461	2.1
99.04431	1.3
99.08086	2.3
104.10749	1.0
105.07018	18.1
106.07324	1.1
107.04946	4.6
107.07858	1.1
107.08578	20.0
108.05346	0.7
108.08884	0.8
109.02862	1.0
109.06502	5.1
109.10139	18.2
111.04436	3.1
111.08065	9.7
111.11709	0.8
113.06018	1.6
115.05434	1.2
117.06979	5.6
119.04900	1.0
119.08563	15.4
120.08919	0.9
121.06480	2.9
121.10118	14.5
123.04386	1.1
123.08068	2.7
123.11702	3.9
124.99995	12.4
125.09624	2.1
127.03961	0.9
127.07564	1.1
129.07008	7.6
131.08546	12.8
132.08911	1.0
133.06485	3.2
133.10115	11.2
135.08057	2.6
135.11650	7.5
136.12065	0.8
137.05914	1.7
137.09596	4.1
139.11198	1.3
142.07780	1.2
143.08528	1.6
145.08565	1.2
145.10101	2.7
147.04364	1.1
147.08000	2.4
147.11644	11.0
148.11984	1.3
149.09642	3.8
149.12166	1.2
149.13234	14.7
151.11171	2.0
155.08467	0.9
157.10097	10.0
159.11679	6.7
163.03809	0.8
163.11154	2.7
165.12761	3.2
169.12160	0.7
173.11729	2.6
173.13214	0.8
175.11157	7.8
176.11475	1.8
177.12796	3.6
181.12195	0.9
184.07315	61.9
187.13290	0.7
189.11214	0.9
193.12216	20.3
194.12564	2.1
195.13843	3.5
211.13266	12.8
212.13640	2.5
213.44418	0.7
227.12807	1.0
229.14468	1.3
231.13773	0.8
243.15952	2.0
249.14806	1.1
253.14342	2.1
255.15862	2.8
267.15875	49.4
268.16220	2.6
269.17450	50.0
270.17633	1.8
271.15411	1.3
285.16968	10.6
286.17264	2.6
287.18475	6.9
311.09259	1.0
339.09357	0.9
369.15982	0.9
369.24051	0.9
403.24634	0.8
417.26331	0.9
421.25729	6.9
435.27026	4.6
439.26825	16.9
439.32843	1.1
443.27930	2.5
447.27353	9.7
452.27988	0.7
453.28458	7.4
460.27795	1.3
461.28903	100.0
462.29272	7.6
465.28406	12.1
477.28128	1.3
478.28806	0.9
479.30045	15.0
480.30133	1.2
495.29303	1.4
496.29697	3.1
497.30847	23.3
498.31192	1.0
503.30307	1.0
569.31189	1.1
591.52869	1.0
694.39337	6.1
695.31805	5.7
695.42804	0.7
718.69360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
55.01867	2.8
55.05502	10.1
57.03429	13.9
57.07061	1.6
59.04988	1.3
60.08154	6.6
61.02919	4.3
65.03915	1.0
67.05493	51.0
68.05820	0.9
69.03410	4.4
69.07059	12.4
69.31523	0.8
69.47812	7.4
70.06561	1.0
71.01335	0.7
71.04985	9.3
71.07364	2.2
73.02881	1.0
73.06547	0.8
73.62144	0.8
79.05480	25.4
80.05803	1.2
81.03407	52.2
81.07043	51.9
82.03742	1.6
82.07372	1.8
83.04970	9.6
83.08604	20.0
84.08903	0.9
85.02894	11.1
85.06522	5.5
86.03231	0.9
86.09691	32.2
91.03951	1.5
91.05470	23.9
92.05791	2.0
93.07028	32.8
93.07620	1.6
94.07349	1.4
95.04953	21.5
95.08596	12.8
96.05288	1.5
96.08937	0.9
97.02869	4.2
97.06518	9.4
97.10155	3.2
98.20789	1.5
98.98440	2.9
99.04433	1.4
99.08066	2.2
103.03947	1.1
104.10757	2.6
105.07009	14.5
106.07325	0.9
107.04936	5.1
107.08584	18.0
108.08959	1.1
109.06501	3.7
109.10136	17.5
111.04411	1.6
111.08057	9.9
113.05997	1.5
113.09574	0.9
115.05441	1.0
117.07025	4.6
119.04945	1.1
119.08570	13.9
121.06478	4.0
121.10124	16.1
122.10478	1.2
123.08047	2.6
123.11711	4.0
124.99986	19.0
125.09578	2.7
127.07548	1.3
128.06276	0.8
129.05502	1.0
129.06976	7.1
131.08556	13.0
132.08835	1.0
133.06471	2.2
133.10110	10.4
135.08058	2.0
135.11659	7.7
137.09621	3.6
139.11179	1.2
142.07761	2.3
145.08522	1.0
145.10110	3.6
146.10512	1.2
147.08020	2.3
147.11652	11.1
149.09633	4.3
149.13243	11.4
151.11172	1.8
155.10600	0.9
157.06467	0.9
157.10088	11.4
159.11699	6.3
160.12010	0.9
163.11151	3.7
164.11537	0.8
165.12735	2.6
173.11790	1.8
175.11172	7.9
177.12762	2.5
184.07309	100.0
185.07689	1.1
193.12212	23.8
194.12520	1.9
195.13870	4.5
205.12352	0.9
211.13283	15.3
212.13525	1.3
243.15807	2.0
249.14815	1.9
253.14285	2.5
255.15837	2.5
267.15872	46.7
268.16199	3.2
269.17438	44.6
270.17786	2.3
280.98889	0.8
283.15274	1.0
285.16904	9.9
286.17352	1.4
287.18445	5.7
387.25198	1.4
421.25803	7.0
435.27011	4.5
439.26785	12.0
443.27921	1.8
447.27402	8.2
453.28360	8.0
461.28915	87.7
462.29218	7.1
465.28424	11.2
467.18332	1.0
477.28253	1.5
478.28607	1.7
479.29932	14.8
495.29251	1.7
496.29880	2.3
497.30789	21.6
503.29837	1.2
644.35626	1.1
694.39264	10.7
695.31812	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	694.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20070	1.1
53.03937	2.6
55.01871	3.4
55.05507	6.8
57.03412	1.3
58.93084	0.9
61.02920	1.4
63.19490	1.0
65.03916	1.3
67.05492	7.7
69.03424	9.5
69.07055	11.7
69.37015	11.8
70.06584	1.2
71.04990	5.0
73.06567	1.3
79.05480	12.9
81.03410	16.8
81.03860	1.9
81.07048	31.6
83.04973	11.3
83.08614	5.0
84.04509	1.1
85.02881	9.6
85.06538	5.6
91.05469	10.2
93.07027	34.4
94.06499	1.3
95.04967	8.0
95.08598	16.8
96.08110	2.4
97.02888	9.4
97.06522	21.6
99.04431	12.6
100.07596	1.6
100.11239	10.0
101.06023	2.9
105.07014	23.6
107.04946	3.9
107.08584	24.2
107.09291	2.0
109.02860	27.4
109.03579	2.1
109.06500	20.3
109.10132	4.7
111.04439	4.9
111.08071	13.0
113.05988	3.7
114.09160	2.0
117.06994	2.9
119.04930	1.3
119.08566	14.2
121.06487	40.6
121.10132	6.9
123.04429	4.0
123.08086	5.3
123.11731	5.9
125.05960	11.2
127.03905	26.3
127.04794	2.0
127.07538	8.4
128.06203	1.5
128.07065	2.3
129.06952	2.0
131.04922	2.6
131.08571	4.4
133.02831	5.9
133.06474	3.3
133.10101	11.4
135.04391	3.5
135.08025	11.3
135.11665	1.6
137.05960	10.0
137.09598	1.5
139.07510	12.3
142.07771	2.4
143.07007	10.6
143.08475	5.8
145.04944	3.1
145.06549	1.8
145.10092	7.2
147.04428	1.9
147.08034	3.6
147.11659	40.8
148.07498	1.1
148.11958	1.2
149.05988	3.1
149.09657	1.4
149.13251	2.9
151.03979	1.2
151.07509	2.1
151.11163	4.0
153.01807	10.8
153.09099	2.2
154.02155	2.1
155.07083	1.8
156.09291	2.2
157.06534	1.4
157.08601	6.3
157.10133	11.1
159.04416	1.3
159.08058	1.6
159.11700	1.8
161.05948	3.0
161.09587	2.0
161.13255	6.7
163.07558	1.3
163.11226	1.6
165.05508	5.5
165.12729	20.0
166.07654	1.9
167.07019	11.1
169.12253	8.4
171.11667	13.1
173.06039	1.1
173.09610	3.0
173.13179	2.2
175.07487	2.5
175.11159	28.2
177.05498	3.8
179.07021	2.3
181.10133	2.0
182.15417	4.6
183.13705	1.2
183.15833	1.3
187.06044	5.9
189.09047	1.2
189.12712	17.4
191.14308	2.1
193.08626	3.0
193.12209	26.2
197.08057	9.4
197.09608	1.6
199.11154	18.7
205.07074	3.7
207.06554	1.7
207.13786	10.5
209.08127	3.6
210.14951	3.0
211.13219	16.0
211.14990	1.2
213.10716	1.3
217.12221	54.4
219.10136	1.6
221.08214	1.7
227.09122	1.3
229.14320	5.1
233.08095	2.2
235.13251	64.6
236.13683	1.7
237.11154	1.3
239.20108	2.0
245.08176	1.4
251.12682	1.3
253.14320	100.0
257.13754	3.1
259.10474	1.3
263.08981	1.8
271.15384	28.4
287.05667	1.2
287.08975	1.9
289.16422	9.2
295.15323	2.3
301.11862	1.6
302.12143	1.5
313.10834	2.0
313.16220	5.4
315.07013	1.2
316.07114	1.2
319.15402	3.1
325.14487	1.2
331.17520	3.8
333.16998	1.3
337.16699	2.3
343.15424	4.7
345.13422	2.4
361.16403	11.6
379.17465	23.6
380.18127	1.2
397.18542	38.8
415.19604	25.4
433.20706	9.3
488.91641	1.1
580.41351	1.4
581.40729	1.3
675.47156	1.4
676.48346	5.7
686.24744	1.6
693.48676	2.1
694.48969	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	692.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.5
55.01864	13.5
55.05505	39.5
56.04340	1.2
56.70759	1.4
57.03434	10.9
57.07064	4.3
61.02923	1.8
65.03945	2.8
67.05495	67.5
68.05834	2.0
69.03422	13.8
69.07059	47.3
70.03736	1.4
70.07381	2.4
70.80798	2.6
71.04991	7.5
71.05309	1.2
71.08617	2.7
73.02919	2.1
73.40967	1.2
79.05482	53.1
81.03409	21.0
81.07047	67.5
81.86594	1.1
82.07370	2.2
83.04967	12.6
83.08611	17.7
84.04499	3.7
84.86768	1.5
85.02888	4.9
85.06538	5.0
86.09698	3.7
91.03946	1.4
91.05466	48.0
92.05819	1.5
93.07030	48.6
94.07359	2.2
95.04965	19.8
95.08597	33.5
97.02868	14.5
97.06518	14.2
97.10159	17.1
99.04474	1.7
99.08088	3.1
104.18665	1.2
105.07017	37.0
106.07342	1.9
107.04927	14.7
107.08582	32.3
108.08920	2.1
109.02863	3.4
109.06472	7.5
109.10133	17.7
110.10480	1.9
111.04424	3.6
111.08068	5.7
117.07014	17.2
119.04891	2.9
119.08568	26.7
121.06507	5.8
121.10122	16.0
123.08039	6.9
123.11696	4.4
125.00032	2.4
125.09628	11.1
127.03903	1.9
129.05453	1.7
129.06990	7.6
131.08556	21.6
132.05690	1.5
133.06566	3.4
133.10112	20.7
135.08051	5.4
135.11687	12.5
137.09605	3.8
137.13275	1.6
142.07791	1.9
143.08560	6.1
145.06476	1.8
145.10101	17.3
147.08046	6.0
147.11679	10.3
148.12068	1.6
149.09590	9.6
149.13222	9.8
151.11174	4.4
155.08517	2.5
157.10132	5.3
159.11664	13.0
161.09624	5.2
161.13239	3.5
163.11169	8.0
164.74608	1.3
165.09117	2.2
165.12798	1.7
169.10114	3.8
169.12202	1.4
171.11690	4.7
171.98190	1.4
173.11819	2.1
173.13275	3.4
175.11183	4.8
175.14955	1.4
177.12762	4.0
179.14302	2.2
181.12256	1.9
183.11729	1.5
184.07326	14.3
185.13182	2.8
187.11203	1.6
187.14810	1.5
189.11234	4.6
189.12791	2.3
193.12215	5.1
195.13724	2.9
197.13280	1.6
205.12218	3.0
211.13269	5.5
223.13300	16.7
227.12732	9.4
229.14175	2.3
239.18019	2.3
245.19070	2.4
247.20390	1.8
249.14828	3.6
253.14349	3.2
255.15814	7.1
257.18958	6.8
267.15942	4.0
269.17426	14.5
273.18448	14.2
275.20013	16.6
291.19507	100.0
292.19910	5.3
293.21143	2.1
309.20590	2.0
315.38849	1.4
347.22061	2.3
349.23697	16.9
365.23148	30.9
407.52655	1.4
413.17847	1.6
414.18027	2.3
448.43820	1.8
503.37219	3.1
521.38287	10.5
530.38873	2.2
541.35248	1.6
545.34692	13.5
559.36249	46.1
560.36609	5.4
639.42725	8.6
674.42804	2.9
692.41022	23.4
718.76331	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58038	0.1
53.03934	0.2
55.01854	0.3
55.05503	1.7
56.05018	0.4
57.03414	0.4
57.07053	0.7
58.06586	0.3
60.08157	6.2
65.03918	0.2
67.05501	2.0
68.05785	0.2
69.03408	0.3
69.07061	1.7
69.52872	1.2
70.06564	0.2
71.07357	2.7
71.08598	0.3
73.16160	0.1
73.38818	0.1
79.05481	1.3
79.42363	0.1
81.03409	1.4
81.07052	2.3
82.07391	0.2
83.04965	0.6
83.08610	1.4
85.02872	0.2
85.10152	0.2
86.09695	30.1
87.10011	0.2
91.05463	1.7
93.07025	1.3
95.04942	0.7
95.08611	1.1
96.08974	0.2
97.02895	0.2
97.06489	0.2
97.10169	0.7
98.21479	0.2
98.98449	2.5
104.10722	2.2
105.07012	1.1
107.04922	0.3
107.08591	1.0
109.06499	0.2
109.10136	0.8
111.08089	0.2
111.11681	0.2
115.05454	0.2
116.43889	0.1
117.06989	0.2
119.08521	0.8
121.10124	0.5
123.11649	0.3
124.99989	18.0
129.05515	0.2
129.07030	0.2
131.08545	0.4
133.10107	0.8
135.08037	0.2
135.11693	0.5
143.01062	0.4
145.10129	0.3
147.11688	0.3
149.13280	0.2
157.10130	0.4
163.11165	0.3
166.02644	0.2
175.11206	0.2
184.07317	100.0
185.07661	0.4
193.12242	0.6
211.13289	0.3
237.22192	0.3
267.15887	0.2
283.15329	0.2
285.17181	0.2
311.25803	0.3
440.11914	0.2
496.33646	0.3
503.37384	0.5
520.37305	0.6
521.38293	3.5
530.39294	0.4
563.36499	0.2
674.43347	0.3
692.44891	7.9
693.44867	0.3
694.65125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01869	3.3
55.05504	16.7
57.03428	9.5
57.07064	2.0
59.05002	1.3
61.02911	4.5
65.03928	1.8
67.05495	66.2
68.05815	0.7
69.03409	2.1
69.07057	15.9
69.75933	3.7
70.02451	0.7
71.01353	1.0
71.04987	14.9
71.08632	0.7
73.02905	1.8
79.05481	27.2
81.03404	5.6
81.07045	86.9
82.07411	0.8
83.04961	6.6
83.08608	13.8
85.02885	5.5
85.06521	6.4
87.04447	2.1
89.45101	0.5
91.03924	1.7
91.05467	20.6
93.07030	40.2
95.04957	5.5
95.08593	17.6
97.02867	3.0
97.06517	10.2
97.10143	5.6
98.20709	0.8
99.04467	0.9
99.08073	2.8
101.05912	0.6
105.07022	8.9
107.04935	2.2
107.08578	26.0
109.02866	0.8
109.06520	2.6
109.10139	18.9
111.04425	0.7
111.08062	6.5
113.05973	1.2
117.07003	5.8
119.08588	3.9
121.06493	1.9
121.10126	12.4
123.08053	1.4
123.11695	10.0
125.09601	4.3
127.03907	1.1
127.07553	0.6
129.05464	1.2
129.06970	0.8
131.08548	8.3
133.10117	15.2
135.08051	2.6
135.11684	7.8
137.09618	1.0
140.78317	0.6
143.10612	1.0
145.10127	1.2
147.11693	1.9
149.09579	1.3
149.13225	20.6
151.11153	5.5
153.12747	1.6
155.10640	0.7
157.10081	0.8
159.11671	10.7
163.11205	3.1
165.12775	0.9
167.14287	0.8
169.12224	0.6
173.11700	5.2
175.11234	0.8
177.12759	4.0
181.12256	0.8
183.13818	1.8
187.13266	2.2
193.12347	1.4
195.13771	8.1
199.13271	2.4
209.11722	2.4
211.13179	1.4
213.14806	1.4
227.12799	2.4
229.14311	17.8
239.16556	1.1
246.23198	0.7
257.17462	1.4
265.14166	0.9
267.15756	3.7
269.17444	35.3
283.15356	2.2
283.18582	0.6
285.16898	0.8
301.16412	5.7
301.20111	6.5
411.27774	1.3
423.27386	15.3
437.28925	36.6
438.29031	1.1
451.30518	5.0
463.30484	100.0
464.30887	3.8
477.27979	0.9
495.32895	29.6
496.33456	0.9
513.30408	6.8
568.51447	0.6
607.35199	0.9
645.67725	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71270	0.6
51.02406	0.7
53.03932	2.3
55.05503	33.1
57.03146	1.7
57.03421	19.7
57.07063	2.8
59.04989	4.2
61.02914	8.6
65.03938	3.0
67.05494	100.0
69.03429	5.1
69.07056	20.8
70.77825	1.6
70.78164	1.1
71.01356	2.0
71.04985	8.0
73.02913	6.4
73.50292	0.6
78.78895	0.7
79.05481	40.2
81.03409	15.6
81.07044	81.5
82.07397	1.3
83.01348	0.8
83.04967	10.1
83.08607	21.5
85.02890	20.0
85.06527	4.5
87.04471	5.3
91.03942	4.3
91.05466	26.2
93.07030	40.9
95.04964	10.0
95.08591	24.3
97.02884	8.2
97.06522	10.7
97.09541	1.1
97.10157	17.6
99.04474	1.6
99.08090	3.1
103.03936	1.6
103.05421	0.7
105.07007	12.6
107.04950	3.7
107.08576	31.9
109.02889	1.4
109.06525	3.2
109.10139	53.6
111.04456	1.5
111.08071	7.6
115.05466	0.9
116.04726	1.4
117.06996	11.1
119.08562	11.5
119.09352	1.1
120.78757	0.6
121.06494	3.5
121.10130	11.2
123.08059	3.5
123.11686	4.2
125.09608	14.0
127.03941	2.6
129.05472	6.8
129.07011	2.4
131.08556	9.7
131.09384	0.9
133.10117	12.1
135.08060	3.2
135.11670	11.4
137.09607	3.4
139.11172	0.9
141.09073	0.9
142.93999	0.8
143.07059	1.0
143.10680	2.5
145.05006	1.0
145.10129	5.5
147.08052	1.8
147.11664	5.7
147.26033	0.7
149.09605	2.1
149.13232	13.7
149.14336	1.0
151.11192	2.2
151.76859	0.7
153.12730	3.9
155.08623	0.8
155.10585	4.0
157.10138	1.3
159.11703	8.7
163.11154	9.0
165.12730	4.8
171.10294	0.8
173.09637	1.9
173.11707	15.7
173.13094	1.4
175.11195	1.3
177.12659	5.6
181.12292	2.0
185.11717	1.5
191.10599	3.3
193.12222	5.8
195.13782	13.7
196.85710	0.7
199.13260	8.5
209.11723	9.0
211.13268	4.8
213.14839	1.7
227.12724	10.7
229.14320	57.1
230.14655	0.9
239.16411	3.7
245.13927	0.9
251.16321	0.7
257.13974	1.9
265.14423	0.7
267.15900	10.5
269.17435	61.0
270.17810	1.1
280.41843	0.7
283.15353	6.8
285.17062	2.4
295.19043	0.8
297.17068	2.1
301.16394	21.8
302.16827	1.0
313.16348	1.3
323.18628	1.5
357.24103	1.1
393.26569	2.2
411.27423	5.9
423.27365	40.7
424.28156	1.9
431.28149	3.0
449.29324	2.2
459.27634	1.3
477.28448	4.0
495.29465	76.3
496.30090	2.2
513.30536	31.0
514.31116	1.4
517.78418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
53.03936	4.1
55.01865	12.4
55.05502	26.9
57.03427	18.7
57.07066	3.4
61.02924	8.0
65.03944	1.4
67.05494	67.9
69.03413	7.9
69.07059	19.6
69.53303	2.1
69.53713	5.8
71.01366	1.3
71.04982	6.7
73.02907	3.8
79.05479	43.0
81.03407	20.2
81.07044	74.9
82.04185	3.3
83.04970	15.3
83.08603	19.1
85.02899	10.9
85.06522	3.6
91.03930	2.8
91.04888	1.3
91.05468	27.6
93.07029	53.2
95.04961	16.3
95.08588	21.0
97.02883	7.7
97.06523	10.5
97.10160	14.3
98.07292	3.2
99.04445	2.1
99.08086	2.5
103.03957	1.0
103.05453	1.1
105.07022	9.9
107.04943	6.5
107.08578	31.6
109.02833	2.4
109.06539	4.8
109.10130	14.4
111.04434	2.5
111.08067	9.4
113.05960	1.2
113.09648	1.4
116.04688	8.1
117.06999	8.7
119.08565	9.2
121.06464	2.7
121.10127	16.2
123.04433	1.0
123.08035	6.0
123.11720	2.8
125.05977	1.3
125.09620	13.4
127.03965	2.2
129.05470	18.1
129.07002	4.2
130.07944	1.2
131.08542	11.3
133.10132	15.3
135.08047	3.9
135.11659	12.3
137.04800	1.0
137.09593	2.0
139.11160	1.3
143.07019	3.8
145.10083	7.1
147.08014	2.8
147.11702	6.3
148.06342	0.9
149.09599	4.0
149.13248	25.3
151.11142	2.4
153.09085	1.7
153.12729	2.8
155.08607	1.3
157.08595	7.3
157.09933	2.0
158.05721	1.3
159.11682	10.3
161.21056	1.0
163.11127	8.4
163.76788	1.0
165.12732	2.5
171.06551	1.8
171.10146	2.8
173.09633	2.9
173.11653	4.9
175.11195	4.1
177.12714	7.3
181.12244	2.7
184.07336	3.9
189.11162	5.3
191.10622	3.3
193.12241	6.8
195.13744	16.7
199.13263	11.4
199.14726	1.2
200.13972	1.5
209.11713	9.5
211.13225	5.0
213.14772	2.5
217.14262	1.2
227.12724	9.8
229.14325	2.4
255.15938	3.1
265.14316	2.9
267.15860	8.3
269.17441	72.6
270.18167	2.3
283.15335	12.6
285.16983	2.9
301.16412	44.6
302.16788	1.9
323.18701	2.2
351.21576	1.2
367.22885	1.4
393.26416	4.9
405.25854	1.1
411.27359	8.2
413.21365	1.8
423.27359	25.7
424.27774	2.2
449.28683	2.4
459.27399	4.7
461.29013	6.1
477.28387	24.7
478.29218	9.5
495.29459	100.0
496.29752	6.8
621.32391	6.0
639.33673	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	692.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15717	0.6
55.01832	2.0
55.05504	9.3
55.05749	1.3
57.03424	10.0
60.70510	0.6
61.02888	2.8
65.03899	1.2
67.05493	21.6
69.03389	2.7
69.07055	11.5
70.67742	0.8
70.68085	1.3
71.01330	0.7
71.04987	3.9
71.51819	0.6
73.02881	1.5
79.05483	17.9
81.03404	39.4
81.07043	53.1
83.04973	11.4
83.08607	18.0
85.02891	16.0
85.06532	3.6
91.03951	0.9
91.05468	22.1
93.07030	15.7
93.88883	0.6
95.04950	17.2
95.08597	14.5
97.02859	4.4
97.06517	5.1
97.10121	2.7
99.04448	1.1
99.08058	2.1
101.05997	0.8
105.07012	25.8
107.04937	4.3
107.08578	11.5
108.78123	0.6
109.06519	5.6
109.10102	2.8
111.04382	1.8
111.08065	9.6
113.05929	2.3
115.05396	1.3
117.06969	1.4
119.08563	24.3
119.52393	0.6
121.06466	1.7
121.10125	16.1
123.08052	3.2
123.10800	0.9
123.11684	16.8
125.09592	1.2
127.07493	1.9
129.06969	6.4
131.08559	7.5
133.06442	1.5
133.10107	9.2
135.11595	1.4
137.09616	1.2
137.13184	2.2
138.33693	0.7
141.09074	0.8
142.07709	1.9
145.10037	2.7
147.07980	2.0
147.11662	45.1
148.11983	0.9
149.09602	4.7
151.51221	0.6
157.10100	9.9
163.11134	1.3
165.12735	16.1
175.11169	12.6
183.13773	1.1
184.63371	0.6
193.10419	1.2
193.12212	32.6
211.13249	57.3
212.13644	0.8
227.12788	1.0
229.14308	3.8
267.15866	75.3
268.16333	1.2
269.17389	1.8
283.15143	1.0
285.16913	100.0
286.17325	3.0
451.26770	2.2
459.27386	4.0
477.28409	27.6
478.28568	1.3
495.29446	92.2
496.29739	3.6
606.67877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.4
56.85193	0.9
57.03178	1.5
57.03432	17.1
59.04993	1.5
61.02907	3.9
65.03909	1.3
67.05495	29.4
69.03417	6.6
69.06720	0.8
69.07059	9.9
69.44751	8.3
71.04981	7.0
73.02917	1.3
73.06572	0.9
79.05479	31.7
81.03405	99.0
81.07043	38.1
83.04968	22.3
83.08607	38.2
85.02894	41.9
85.03408	1.8
85.06542	2.9
91.03943	2.7
91.05466	43.0
93.07030	24.1
95.04955	39.0
95.08595	15.8
97.02865	6.1
97.06510	6.0
97.10169	6.3
99.04477	0.8
99.08042	1.7
103.05483	0.9
105.04479	1.0
105.07020	29.8
107.04942	10.9
107.08585	10.7
109.06508	7.5
109.10136	4.5
111.04427	2.7
111.08067	16.5
113.05995	4.0
115.05402	1.6
117.07008	2.1
119.04917	1.5
119.08562	28.0
121.06482	3.2
121.10122	14.1
123.08033	4.4
123.11690	3.2
125.05934	0.9
125.09602	2.1
127.07542	1.0
129.06982	17.6
131.08557	16.9
133.06473	4.2
133.10117	19.3
135.35193	0.9
137.09581	2.6
142.07782	3.6
145.10092	3.2
147.07983	6.4
147.11664	23.8
149.09605	11.1
151.11099	1.3
157.10112	22.7
163.11166	1.4
165.12766	5.6
175.11163	26.5
193.12216	70.5
211.13266	99.3
249.14790	1.1
267.15881	42.5
285.16919	100.0
367.22726	3.0
385.23706	4.3
433.26035	1.8
438.98438	1.0
459.21091	1.7
459.27368	28.5
477.28424	34.7
478.28864	1.0
495.29471	92.6
496.29938	1.7
663.69312	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	13.9
57.03431	11.1
59.04995	0.7
61.02909	1.9
63.15906	0.6
65.03937	1.1
67.05495	19.3
69.03416	4.2
69.07057	5.9
69.47096	5.3
71.01327	0.5
71.04984	4.6
73.02906	1.1
79.05481	19.5
81.03405	71.6
81.07040	23.7
82.03710	0.6
83.04969	14.2
83.08606	25.3
85.02893	26.3
85.06520	1.8
86.09697	1.1
91.03934	0.9
91.04878	1.0
91.05465	26.8
93.07031	14.2
95.04956	29.7
95.08588	9.7
96.05267	0.9
97.02875	5.4
97.06500	3.9
97.10137	5.1
98.20729	0.8
99.04411	0.9
99.08083	1.2
103.05435	0.6
105.07015	21.3
107.04952	6.6
107.08572	7.9
109.06500	5.1
109.10117	3.0
111.04427	3.3
111.08059	13.3
113.05994	3.7
115.05457	1.7
117.07001	2.1
119.04920	1.2
119.08560	19.8
121.06487	1.7
121.10128	8.9
123.08109	2.6
123.11699	2.5
125.00030	0.7
125.06013	1.1
125.09595	2.6
128.06284	0.6
129.06982	12.0
131.08551	11.2
131.09494	0.7
133.06474	2.2
133.10109	13.3
133.11069	1.1
135.11673	1.2
137.09610	1.7
137.13161	0.8
142.07761	2.5
145.10109	2.0
145.12114	0.6
147.08043	3.3
147.11658	17.4
149.09595	8.0
151.11197	1.1
157.10107	17.7
163.11133	1.2
165.12701	3.6
175.11154	20.1
184.07317	3.2
193.12210	50.7
194.12459	0.6
211.13258	68.1
212.13609	1.0
229.14244	1.0
233.84569	0.6
257.40811	0.6
267.15878	31.8
268.16180	0.7
285.16922	68.0
286.17297	2.1
351.54752	0.6
367.22729	2.7
369.79129	0.5
385.23651	3.1
403.24689	1.1
425.81076	0.6
433.25787	1.2
441.25983	0.8
459.27325	28.5
460.28177	1.6
477.28452	35.3
478.28568	2.2
490.59534	0.6
495.29465	100.0
496.29822	7.3
530.47906	0.5
639.33582	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
52.23306	0.3
53.03926	0.8
55.01857	0.6
58.13337	0.3
67.05497	0.7
69.03413	2.7
69.07052	0.5
69.68946	2.4
70.06562	0.4
71.04981	0.5
71.74534	0.3
73.02889	0.5
79.01836	1.6
79.05471	0.5
81.03403	6.1
81.07036	1.3
83.04951	0.5
85.02898	3.2
87.04435	0.5
91.05452	2.0
93.07035	0.8
93.64537	0.3
95.04954	1.0
95.08585	0.9
97.02872	5.7
97.06506	0.5
99.04408	0.9
103.05438	0.7
105.07019	0.7
107.01301	1.2
107.04945	0.8
107.08600	0.4
109.02861	5.2
109.06500	0.9
109.10122	0.9
111.04401	0.6
115.05399	0.6
119.04939	1.7
119.08562	0.4
121.06513	1.1
121.10120	0.6
122.03609	0.6
123.04410	0.6
123.08036	0.5
123.11713	0.4
125.02344	2.8
127.03899	6.3
129.06969	1.4
131.04901	1.3
133.10236	0.3
135.07997	0.6
137.05959	13.8
140.04657	0.3
143.03397	4.5
145.04918	1.2
145.06447	0.4
147.04408	0.7
149.05931	1.1
151.03886	0.9
151.07518	12.2
153.01801	100.0
153.12813	0.4
154.02153	1.2
157.06471	1.2
161.05984	2.4
163.07515	5.9
165.05534	0.5
165.09096	1.4
167.07050	0.9
167.08582	1.3
171.02863	11.7
174.06752	0.6
175.07538	1.5
177.05453	0.5
177.09093	6.8
179.07002	0.5
181.04852	0.4
183.06548	0.4
189.09073	3.6
193.06528	0.5
193.08501	0.6
193.10127	0.8
195.08054	2.5
195.09999	0.7
201.09047	0.4
207.10162	0.6
209.07944	0.6
212.08377	0.4
213.03734	0.4
219.10098	0.7
221.05981	0.7
221.09602	1.1
221.11725	1.4
223.07550	1.2
225.09128	0.9
227.10637	3.6
229.14267	0.9
231.08031	0.4
234.06625	0.4
249.09030	0.5
249.11267	0.4
253.08559	1.3
253.12050	2.0
255.10126	3.9
267.10132	0.6
269.07947	0.7
272.10461	0.5
281.11801	0.8
285.06064	3.1
285.11121	2.1
287.12729	4.9
293.11658	0.5
297.06006	7.2
297.11121	0.6
299.12711	1.2
311.12711	1.4
313.14316	4.4
315.07040	15.8
331.15347	18.8
332.15656	0.4
343.15353	4.5
353.13800	0.4
355.15326	0.8
359.11023	0.4
397.16550	0.5
403.15216	0.4
421.16382	2.2
439.17740	0.7
483.16418	1.9
495.15979	0.5
609.19446	0.5
627.20288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.2
56.05025	0.6
57.07045	0.3
58.06616	0.5
59.07386	0.1
60.08153	6.7
67.05482	0.4
69.07054	0.2
70.06568	0.1
71.07363	3.1
71.08598	0.2
71.34424	0.2
79.05463	0.2
80.97401	0.1
81.07037	0.5
83.08597	0.2
86.09691	32.7
87.10011	0.1
93.07030	0.3
95.08562	0.2
98.98451	2.8
104.10727	2.6
105.07005	0.1
107.08525	0.1
108.65350	0.1
109.10146	0.2
116.99500	0.1
124.99985	20.0
131.08589	0.1
140.01018	0.1
143.01013	0.4
143.51021	0.1
163.11250	0.1
166.02669	0.2
184.07309	100.0
185.07671	0.7
201.40775	0.1
398.11676	0.1
496.34192	0.1
519.36688	0.3
690.46954	8.3
691.47223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.8
55.01856	5.9
55.05505	27.4
57.03423	16.1
57.07048	5.3
57.90518	2.8
65.03916	4.4
67.05491	86.9
69.03118	2.8
69.03416	29.5
69.07062	33.1
69.69619	21.5
71.04957	6.1
76.91638	2.8
79.05487	55.6
81.03410	41.8
81.07046	100.0
82.75089	2.9
83.04972	17.0
83.08616	14.0
83.09161	2.4
85.02875	10.9
85.06535	5.4
91.05468	48.6
93.07027	66.2
95.04953	14.9
95.08588	53.3
97.02873	12.4
97.06519	11.2
97.07191	2.7
97.10126	7.8
99.04433	4.0
99.08068	4.3
105.07008	35.6
107.04926	7.8
107.08575	39.0
109.02848	7.6
109.06493	7.1
109.10139	26.0
111.04403	8.5
111.08102	6.5
113.32047	2.7
117.07020	19.4
119.08553	28.9
121.06464	8.3
121.10142	26.7
123.08029	6.2
123.11672	9.4
125.09625	4.1
127.03860	4.8
128.06184	3.3
129.05428	6.1
129.06973	10.2
131.08539	30.4
133.06427	4.0
133.10103	28.3
135.08051	5.0
135.11667	18.5
137.05913	4.1
137.13277	3.2
143.08525	11.3
145.06410	3.5
145.10091	20.6
147.07980	3.7
147.11667	20.4
149.09581	7.3
149.13252	12.1
151.11104	4.0
153.09135	3.8
155.08546	5.0
157.10106	11.2
159.11676	21.8
161.13202	8.5
163.11111	3.5
165.12761	5.8
167.08582	3.4
169.10106	6.4
171.07996	3.5
171.11644	4.9
173.09560	4.3
173.13242	9.0
177.12643	5.8
183.11685	5.3
184.07286	19.7
185.13251	6.2
187.11198	5.0
187.14735	4.7
195.13753	9.8
197.13292	4.5
199.11072	3.1
199.14813	3.7
211.21049	2.9
253.14255	3.8
254.14613	3.1
259.20746	3.6
261.22055	6.0
267.15933	5.6
269.17410	33.4
291.19476	6.5
292.19885	6.3
301.21457	5.7
313.21466	3.2
315.23257	4.8
335.25821	16.9
337.27078	3.8
351.23105	7.6
369.24380	14.8
387.25204	5.2
405.25949	5.0
443.27628	3.3
461.28754	8.2
479.29980	8.0
519.36670	10.7
529.38556	18.2
547.39807	4.7
637.40881	8.1
655.41479	5.5
673.32690	3.8
673.42999	26.9
691.44110	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
53.65879	0.5
55.01871	5.0
55.05255	0.9
55.05504	12.9
57.03428	9.3
59.04984	1.6
61.02921	3.7
67.05163	1.0
67.05496	14.3
69.03437	2.7
69.07059	4.9
69.59132	3.9
71.01339	1.1
71.04983	3.1
73.02915	0.9
79.00050	0.5
79.05483	17.6
81.03407	34.9
81.07046	17.1
83.01326	3.9
83.04974	12.3
83.08608	17.6
85.02892	14.2
85.06539	1.2
91.03947	1.5
91.05470	16.4
93.07029	16.7
95.04956	15.5
95.08598	6.6
97.02872	3.5
97.06514	4.0
97.10136	2.5
98.20767	1.1
99.04436	1.3
105.07014	13.7
107.04935	6.5
107.08575	9.2
109.06514	5.8
109.10147	2.2
111.04446	2.5
111.08062	6.1
113.05987	1.3
115.05466	0.7
116.06146	0.5
117.06997	4.3
119.08571	11.9
121.06487	3.0
121.10130	6.9
123.08051	5.9
123.11630	0.7
125.05947	1.0
125.09615	1.6
129.07008	5.0
131.08545	6.8
133.06454	1.6
133.10112	5.2
135.08064	0.8
135.11671	4.9
137.09616	1.6
142.07788	1.0
145.06581	0.8
145.10098	7.2
147.08037	2.3
147.11673	7.6
149.09610	3.5
153.12750	1.2
155.08507	0.9
157.10103	6.7
163.11159	11.6
165.12753	1.3
173.09613	1.5
175.11133	8.4
175.12469	0.6
181.12273	1.5
187.63689	0.5
191.10701	1.1
193.12233	23.0
209.11716	2.9
211.13261	38.6
212.13698	0.6
218.52461	0.5
227.12769	2.4
249.14845	0.7
265.14294	0.8
267.13217	1.0
267.15918	8.8
283.15356	47.1
284.15771	1.6
285.16931	30.9
286.17075	0.8
350.15710	0.6
383.22321	2.7
401.23059	1.0
457.25870	3.9
475.26895	16.5
493.27905	100.0
494.28287	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63879	0.5
53.03932	1.4
55.01845	2.4
55.05502	9.1
57.03428	8.8
57.07066	0.5
57.90638	0.4
59.05001	0.7
59.24884	0.4
61.02909	1.6
65.03919	0.8
67.05495	13.9
69.03417	2.9
69.07052	6.1
70.50749	1.6
70.51127	0.9
71.04984	3.6
73.02905	1.3
74.23805	0.5
79.05482	20.4
80.46326	0.5
81.03406	28.8
81.07047	18.5
83.01330	0.6
83.04963	7.8
83.08607	15.7
85.02893	13.2
85.03409	0.6
85.06525	1.5
88.03913	0.4
91.03958	0.6
91.05466	15.6
93.07031	23.6
94.07354	0.5
95.04955	12.8
95.08591	21.3
97.02878	4.3
97.06525	3.7
97.10145	2.4
99.04457	2.6
99.08065	0.6
105.07011	12.0
107.04940	8.0
107.08582	17.7
109.06487	4.2
109.10131	2.8
111.04433	2.1
111.08073	5.9
113.05969	1.3
115.05444	1.1
117.06982	4.5
119.08562	14.8
121.06491	3.7
121.10125	10.5
123.08051	1.9
123.11693	1.2
125.05954	2.7
125.09629	0.9
127.07515	0.7
128.44456	0.5
129.05443	0.6
129.06998	4.1
131.08559	6.3
133.06477	1.5
133.10107	6.3
135.08063	1.6
135.11671	31.3
136.12050	0.7
137.09560	1.1
139.07520	1.2
142.07764	1.2
143.08591	0.5
145.10100	17.5
147.04416	0.6
147.08009	1.5
147.11676	7.3
147.67223	0.5
149.09592	3.2
151.11182	0.6
153.12750	1.0
157.10117	6.7
163.11156	39.6
164.11436	0.9
165.12756	1.8
168.24773	0.6
173.09624	1.2
175.11162	6.7
181.12212	7.4
181.13683	0.8
191.10658	0.9
193.12219	20.3
194.12677	0.8
209.11713	1.3
211.13260	26.0
212.13617	0.8
223.76027	0.5
227.12743	41.9
228.13147	1.3
249.14870	0.6
267.15881	25.4
268.16199	0.8
283.15359	49.5
284.15732	2.2
285.16928	45.4
286.17349	1.2
346.15231	0.5
410.42017	0.5
457.25842	1.0
475.26874	29.8
476.27234	1.7
493.27899	100.0
494.28302	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
53.03931	1.1
55.05486	1.5
57.03430	5.9
59.04997	0.7
61.02884	1.1
61.65125	0.6
69.03418	8.1
69.74803	0.6
71.01338	0.9
71.04981	32.5
71.08620	1.6
73.02890	1.8
75.04461	2.5
79.05470	0.9
79.32825	0.6
79.67176	0.6
81.03385	1.7
81.07029	0.9
83.04973	4.2
85.02892	49.5
86.09692	0.8
87.04426	1.0
91.05470	3.7
93.07056	0.8
94.04175	0.8
95.04950	2.8
95.25699	0.6
97.02862	3.3
99.04435	0.7
101.05979	1.1
102.04650	0.8
103.05448	22.0
105.07016	1.9
107.04934	1.5
109.02859	1.5
109.06515	0.6
111.04420	11.3
115.05454	1.1
117.06973	1.2
119.04904	3.0
119.08582	1.0
121.06481	2.8
122.03640	1.9
123.04393	1.9
124.05247	1.2
127.03891	2.9
129.05452	12.1
129.06934	1.6
130.04108	1.3
131.04906	100.0
132.05264	1.9
133.02826	3.1
133.06439	2.6
135.04355	0.7
135.08066	0.7
136.07536	0.6
137.05956	73.0
139.03922	0.8
140.07109	0.7
145.04930	2.1
145.06445	2.0
147.04393	21.3
147.06464	6.5
147.07899	3.7
149.05969	8.2
150.06732	2.1
151.03877	1.5
151.07523	8.0
153.01831	1.2
153.05464	0.8
157.06435	0.9
159.04288	0.6
159.07991	0.9
161.05933	10.9
161.09573	0.7
162.05464	0.7
162.06738	8.8
163.07513	98.4
164.07973	1.9
165.09181	0.8
167.06978	2.1
169.06430	0.9
171.04362	1.2
171.08026	2.2
173.05980	3.1
175.07521	16.0
176.32947	0.6
177.05424	2.5
179.07039	5.2
181.08568	8.6
185.05824	0.6
187.07532	3.8
189.05357	1.7
189.09064	2.4
191.06889	3.0
193.08571	21.0
193.10265	1.4
195.08037	1.0
199.07507	4.3
201.08998	0.8
203.06960	2.0
205.08562	4.9
207.08148	0.7
207.10077	0.8
209.08032	1.3
211.07526	0.9
211.09514	1.1
213.09074	2.0
213.24864	0.6
215.06978	1.7
217.08548	6.1
229.08559	2.1
231.10306	0.9
233.07927	1.7
235.09602	5.0
241.08496	1.7
247.09627	2.4
249.08820	0.8
251.06912	0.9
253.08269	0.8
259.09698	3.2
269.18018	0.6
271.09698	1.5
271.13190	0.7
277.10623	1.8
281.11746	1.5
283.09512	1.0
285.11093	5.9
288.09772	0.7
289.10672	1.1
291.09866	0.8
295.11728	1.2
297.11191	6.9
299.12665	3.1
303.12082	1.8
307.11716	0.8
309.11420	1.9
311.12677	3.8
315.12195	3.8
317.10342	1.2
317.13803	17.2
323.12839	4.6
327.12228	1.0
329.13730	3.0
335.12833	1.0
337.11374	0.7
339.12277	0.9
341.10468	0.8
341.13834	8.4
347.14709	2.6
351.11902	0.8
353.13702	2.0
359.14682	5.8
371.14954	4.2
381.12805	0.9
383.14725	3.9
389.15836	1.1
395.14380	0.9
399.13928	0.8
409.16306	3.4
413.15936	3.5
421.16248	1.1
427.17609	6.3
431.16916	1.5
439.17407	9.3
457.18445	9.0
653.92847	0.7
674.36102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	1.2
50.22620	0.9
51.02389	1.2
51.42425	0.9
53.03939	8.0
55.01866	9.2
55.05504	32.3
55.40887	0.9
56.05833	1.1
57.03429	13.0
57.07069	2.6
59.04971	1.5
61.02909	1.2
62.35783	0.8
65.03937	4.7
67.05495	72.5
67.68593	0.8
69.03419	32.2
69.07056	23.6
71.04984	9.3
71.08628	1.7
73.02896	2.4
77.03911	1.7
79.05481	64.7
80.05818	1.0
81.03407	100.0
81.07044	75.3
82.05872	0.9
83.04971	20.7
83.08606	23.1
85.02410	1.9
85.02895	21.6
85.06544	5.1
87.04461	1.6
91.04874	1.9
91.05467	63.0
93.07032	63.3
95.04952	34.3
95.05546	2.0
95.08594	43.8
97.02872	20.7
97.06533	9.1
97.10164	6.4
99.04452	7.2
99.08073	2.1
103.03967	1.2
103.05460	2.3
105.04514	1.3
105.07017	48.8
107.04936	10.2
107.08578	34.2
108.08869	1.0
109.02866	15.6
109.06504	10.3
109.10146	18.5
111.04427	10.4
111.08058	10.1
111.11719	1.2
113.06011	2.3
115.03927	1.1
115.05457	3.3
117.07006	21.0
119.04939	2.1
119.08560	36.1
121.06471	7.0
121.10122	27.8
123.04429	4.4
123.08072	4.9
123.11691	5.9
125.05940	1.1
125.09596	5.0
127.03902	10.8
127.07567	1.1
128.06223	3.9
129.05533	2.1
129.06985	18.8
131.04878	1.6
131.08553	32.0
133.06497	4.6
133.10112	24.9
134.10481	1.1
135.04428	1.1
135.08041	3.9
135.11684	15.0
137.05980	2.1
137.09618	3.2
137.13252	1.3
139.07587	0.9
139.11215	1.9
141.06943	4.6
142.07767	3.9
143.08553	11.7
145.04878	1.3
145.06493	3.7
145.10106	19.4
147.04335	1.9
147.08025	4.8
147.11662	26.4
147.12770	1.8
149.06007	1.2
149.09607	7.1
149.13237	5.8
151.07576	1.0
151.11136	1.7
153.06966	1.3
153.12758	2.6
154.07707	1.2
155.08517	6.3
157.06465	2.4
157.10097	19.1
159.08080	3.8
159.11681	12.9
161.06018	1.8
161.09645	3.7
161.13263	6.5
163.11195	7.5
163.14877	1.4
165.12712	6.1
167.08606	2.9
169.06601	0.9
169.10114	7.1
171.08046	2.6
171.11632	9.4
173.04407	5.0
173.05872	1.1
173.09618	3.7
173.13217	8.3
175.11160	11.7
175.14795	2.8
177.12755	2.6
179.08647	1.5
181.10159	2.8
181.12254	3.1
183.08055	1.8
183.11685	5.7
184.07323	2.0
185.09583	2.3
185.13268	4.8
187.11134	2.1
187.14832	2.9
189.09247	0.9
189.11195	2.2
189.12805	3.6
189.16473	1.2
191.10667	2.6
193.10347	2.2
193.12207	32.1
195.11737	3.3
197.13303	4.0
199.06001	1.3
199.11153	1.5
199.14847	4.0
201.12733	1.9
201.16322	1.8
203.14261	1.9
205.12250	1.8
207.11679	1.6
207.13753	1.9
209.13258	2.5
211.13239	47.8
212.13631	1.7
213.12779	2.5
213.16508	2.0
217.12265	1.2
217.15923	1.1
221.13455	1.3
227.12619	4.8
227.14659	1.3
229.14354	2.8
231.13708	1.1
233.15375	1.2
235.13350	3.3
239.14279	1.4
247.17032	1.3
249.14828	2.0
255.13844	1.6
259.20587	3.1
261.14899	1.4
261.21979	5.9
267.15836	10.8
269.17749	1.0
271.20395	1.5
273.14911	3.1
273.18314	1.1
273.22168	2.1
275.19986	1.6
277.14343	1.5
277.21582	2.3
285.16949	11.1
285.21973	1.6
289.21429	1.1
297.22205	1.0
301.14371	2.6
301.21719	3.2
303.23169	1.2
309.16922	1.3
313.16495	1.2
313.21637	1.4
315.23245	2.2
317.24704	1.3
319.15378	2.7
319.22604	1.6
323.23700	1.9
327.23257	2.6
335.25763	17.5
337.16443	2.6
341.24744	2.3
351.23083	5.2
355.17584	5.6
357.24207	1.5
359.26270	1.2
369.24164	9.6
387.25253	5.5
393.19043	1.5
405.26529	2.4
411.20273	6.5
425.26834	1.3
435.32663	2.1
443.28079	4.4
445.29935	1.2
453.33871	1.8
461.28812	6.5
471.34802	1.5
479.30090	1.7
509.36160	1.4
527.37189	17.8
527.44434	1.5
545.38263	8.6
569.38464	2.0
585.37933	1.2
611.39404	1.5
615.39410	1.2
617.38232	1.3
635.39539	3.3
641.40259	1.9
653.40308	9.5
654.40564	1.2
659.41992	1.2
671.41351	13.6
689.42462	80.5
690.42627	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	689.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.3
53.03936	11.1
55.01862	7.7
55.05505	29.1
57.03426	13.4
57.07066	3.2
59.05005	1.5
60.19757	0.7
61.02924	1.4
65.03931	4.0
67.05495	77.1
68.05796	0.9
69.03419	29.7
69.07053	20.9
69.07401	1.6
69.47157	3.7
69.47585	3.8
71.01347	1.6
71.04984	11.8
73.02898	1.5
77.03912	1.5
79.05481	67.2
80.05822	1.2
81.03407	100.0
81.07047	74.6
82.03737	1.0
82.07374	0.9
83.04969	23.3
83.05445	1.7
83.08606	23.2
83.09103	1.2
85.02888	18.3
85.06546	4.2
86.09647	0.9
91.05465	55.1
93.07032	67.1
94.07349	1.4
95.04348	1.9
95.04954	33.8
95.08591	44.0
97.02872	21.7
97.06525	7.8
97.10152	7.7
99.04453	7.3
99.08078	2.0
103.05460	2.7
105.04506	1.2
105.07018	48.1
107.04946	8.8
107.07848	1.9
107.08580	31.8
109.02126	1.3
109.02860	16.3
109.06506	8.2
109.10143	16.1
111.04423	11.2
111.08065	9.8
113.06020	1.5
115.03934	0.8
115.05437	3.2
117.07000	18.7
119.04950	1.8
119.08566	35.5
121.06538	4.9
121.10126	25.5
121.63075	1.0
123.04446	3.2
123.08042	6.0
123.11696	7.0
125.05912	0.9
125.09620	3.6
127.03894	12.0
128.06232	2.8
129.05476	3.9
129.06989	15.3
130.07831	1.2
131.04930	1.5
131.08549	27.7
133.06465	5.2
133.10109	22.6
133.11063	1.6
135.04431	1.2
135.08047	5.0
135.11674	14.9
137.09622	3.9
141.06981	3.5
141.65672	0.8
142.07779	4.0
143.08549	7.6
144.09441	0.9
145.06490	3.8
145.10114	17.1
147.04358	0.9
147.07993	5.1
147.11661	22.0
147.12752	1.8
149.05914	1.3
149.09622	6.3
149.13257	5.1
151.11194	1.3
153.05582	1.1
153.12753	1.9
154.07765	1.3
155.08495	4.1
157.06522	1.2
157.10100	15.9
158.51749	1.0
159.08069	2.6
159.11674	11.6
161.09636	1.7
161.13281	3.4
163.11142	5.9
163.14854	1.7
165.12691	6.9
167.08514	1.7
169.10086	5.9
171.08002	1.8
171.11671	5.7
173.04460	4.4
173.09650	3.6
173.13245	6.7
175.11171	11.8
175.14880	2.5
177.12700	2.0
179.08603	1.5
181.10188	2.6
181.12282	2.5
183.11711	4.9
184.07346	1.2
185.09628	1.5
185.13240	4.4
187.14864	2.2
189.09064	0.9
189.11194	1.1
189.12773	1.9
191.10657	4.1
193.10370	2.0
193.12218	36.6
195.08061	1.2
195.11725	3.0
195.13625	1.5
197.13313	3.0
199.11211	2.2
199.14883	2.5
201.12744	1.1
201.16353	1.6
207.11847	1.3
209.09700	0.9
209.13278	2.7
211.13235	52.1
213.12785	1.8
213.16423	1.2
215.14320	1.0
223.14796	1.0
225.12688	1.4
227.12567	5.0
227.17986	1.1
229.14334	2.3
231.13881	0.9
233.15445	1.4
235.13226	1.5
241.19415	1.2
243.21104	2.4
243.25430	0.9
249.14885	2.4
255.13879	1.2
257.18893	1.1
259.20569	3.0
261.15018	1.2
261.19504	1.1
261.22076	6.3
265.14368	1.0
267.15933	7.5
269.17514	1.1
271.20721	0.9
273.14883	1.7
277.21640	1.6
283.20474	1.1
285.16916	9.8
285.21948	1.1
289.21643	1.2
301.14313	1.0
301.21643	2.7
303.23163	1.2
309.22278	1.3
313.21454	1.1
317.24802	2.3
319.15289	1.2
323.23819	1.2
327.23218	1.5
335.25861	13.9
337.16537	3.4
339.23135	1.4
341.24710	1.8
351.19196	1.2
351.22836	4.2
355.17484	7.6
369.24200	6.5
371.25760	1.0
375.25409	1.1
387.25305	3.9
393.19034	2.0
405.26300	2.5
411.20123	5.5
435.32614	1.8
443.27905	4.2
453.33652	2.0
461.29013	5.4
479.30609	1.2
527.37177	15.2
529.38654	1.3
543.36737	1.3
545.38470	10.4
561.37109	1.0
597.37524	1.1
625.40125	0.9
635.39471	2.3
640.02222	1.0
653.40057	6.2
671.41815	9.1
689.42474	92.2
690.42993	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	688.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.3
56.05035	0.5
56.85175	0.1
57.03410	0.2
57.07060	0.3
58.06617	0.4
59.07368	0.1
60.08155	5.5
60.47216	0.1
67.05495	1.1
68.05831	0.2
69.03385	0.2
69.07047	0.2
70.06577	0.1
70.81283	0.2
71.05000	0.1
71.06965	0.1
71.07363	2.6
71.08606	0.1
79.05473	0.3
81.03402	0.7
81.07047	0.9
82.07373	0.1
83.04960	0.1
83.08601	0.3
85.02916	0.1
85.06522	0.1
85.10148	0.1
86.09692	27.8
87.10041	0.2
91.05460	0.4
93.07026	0.6
94.07338	0.1
95.04932	0.2
95.08580	0.5
96.08891	0.1
97.02865	0.1
97.10147	0.1
98.98450	2.6
104.10728	2.0
105.07011	0.3
107.08585	0.4
108.08907	0.1
109.06506	0.1
109.10130	0.6
110.10471	0.3
117.07034	0.1
119.08557	0.3
120.08926	0.1
121.10133	0.2
124.99986	18.4
125.53664	0.1
129.06990	0.1
131.08549	0.2
133.10118	0.2
135.11589	0.1
140.01001	0.1
143.01036	0.3
144.37180	0.1
145.10159	0.1
147.11697	0.1
157.10156	0.1
159.11571	0.1
163.11096	0.1
166.02652	0.2
173.11719	0.2
184.07310	100.0
185.07709	0.6
227.12691	0.1
229.14372	0.5
230.14787	0.3
231.14984	0.1
264.59067	0.1
274.18155	0.1
287.05569	0.1
288.05902	0.1
292.70068	0.1
335.25867	0.2
336.26169	0.3
337.26556	0.2
478.32840	0.1
490.36160	0.2
491.36642	0.4
496.34067	0.2
505.39108	0.1
529.39221	0.3
607.83093	0.1
688.45459	4.1
689.44800	0.1
700.49805	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	688.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11042	0.9
53.03939	4.5
55.01858	2.7
55.05501	14.0
57.03431	9.9
59.04982	0.9
61.02918	2.1
65.03934	1.7
67.05494	35.4
69.03410	3.9
69.07061	7.3
69.93988	3.7
69.94396	1.9
71.04973	3.8
73.02902	1.2
73.06537	1.5
79.05480	51.0
81.03409	49.4
81.06571	1.8
81.07046	36.8
83.04967	15.7
83.08604	17.1
85.02895	15.0
85.06544	2.3
90.84035	0.9
91.04887	2.0
91.05469	44.8
93.07030	47.4
95.04955	31.0
95.08591	20.6
97.02874	4.0
97.06506	5.1
97.10154	4.5
98.21519	1.0
99.08060	1.8
100.77068	0.8
105.04501	1.4
105.07019	32.8
107.04955	8.2
107.08571	12.7
107.97459	1.1
109.06512	5.9
109.10121	4.4
111.04456	1.5
111.08077	7.9
113.05961	1.4
115.05400	1.3
117.07000	6.6
119.07785	1.6
119.08564	21.3
121.06522	1.5
121.10121	8.5
123.08067	5.5
123.11699	1.4
127.07550	2.0
128.06152	0.9
129.06984	18.6
131.08528	7.9
133.06491	2.1
133.10110	13.7
135.11684	1.3
137.09558	1.6
142.07712	1.7
143.08519	4.7
145.10115	6.8
147.08041	4.7
147.11662	32.1
149.09590	3.5
157.10097	10.6
161.09634	2.2
161.13193	6.5
165.12758	1.8
171.11688	14.4
175.11183	10.0
189.11290	0.9
189.12608	4.9
193.12212	26.3
207.13765	16.0
211.13260	29.7
267.15881	31.7
281.17432	51.2
285.16922	32.0
285.20090	1.5
286.17181	1.4
455.28287	1.3
461.01431	1.0
461.24301	1.1
473.28940	100.0
474.29196	3.9
491.29999	76.4
492.30182	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	688.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90591	0.6
53.03930	2.3
55.01857	1.7
55.05507	9.4
57.03427	5.6
58.41979	0.5
61.02906	1.1
65.03924	1.6
67.05495	30.4
69.03418	2.2
69.07062	10.1
69.38441	6.2
71.04976	2.6
73.02921	0.8
79.05482	29.1
81.03410	6.9
81.07046	41.2
83.04973	6.8
83.08604	6.5
85.02895	2.8
85.06528	2.5
91.05466	23.0
92.05762	0.6
93.07031	30.0
94.07407	0.7
95.04961	10.0
95.08598	13.0
97.02905	1.3
97.06521	3.9
97.10166	3.8
99.08097	1.4
105.04472	0.9
105.07017	20.6
107.04933	3.0
107.08577	13.4
109.02845	0.9
109.06483	4.1
109.10136	4.3
111.08086	2.2
116.97760	0.6
117.07018	4.5
118.28878	0.7
119.07778	1.2
119.08563	14.7
120.08958	0.7
121.06497	1.6
121.10129	9.9
123.08044	4.1
123.11698	8.4
125.09562	2.9
127.07568	1.4
128.06207	1.1
129.06976	5.3
129.08627	0.5
131.08539	3.9
133.06500	0.9
133.10132	5.0
135.08011	1.2
135.11661	2.7
137.13168	0.8
141.55916	0.8
143.08551	2.7
143.11995	0.6
145.10101	4.4
147.08066	0.7
147.11665	30.7
148.11978	0.8
149.09567	0.8
149.13263	3.1
157.10144	1.2
159.11690	4.0
161.09607	1.1
161.13246	2.7
163.11153	1.2
165.12733	6.9
171.11664	7.9
175.11176	1.1
177.12723	2.5
184.37791	0.6
186.44772	0.6
187.11172	1.0
189.11163	1.2
189.12772	2.3
193.12267	1.8
195.13779	1.7
205.12253	0.6
207.13763	10.5
211.13199	0.9
223.13210	9.0
225.14877	1.0
227.12723	1.2
229.14322	2.1
267.15900	23.7
269.17450	14.8
281.17432	34.9
282.17883	0.9
285.16931	18.3
286.37613	0.6
297.16895	10.3
312.04431	0.6
385.23764	0.6
423.27243	3.4
459.27283	1.8
473.28958	1.2
477.28262	1.8
483.40564	0.6
491.29984	100.0
492.30411	4.9
509.31189	1.4
526.36224	0.9
688.40747	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.8
54.51417	0.2
55.01863	4.5
55.05503	7.8
57.03426	6.8
57.07049	0.4
59.04986	1.9
61.02914	3.3
65.03888	0.3
67.05496	6.7
69.03385	1.2
69.07056	2.4
69.66718	0.8
69.67139	1.0
71.01315	0.7
71.04970	2.6
71.42844	0.3
73.02882	1.0
73.06513	0.3
74.15726	0.3
79.05477	12.1
80.05719	0.3
81.02921	0.3
81.03400	6.7
81.07043	11.1
81.16599	0.2
83.01325	6.2
83.04966	7.0
83.08604	6.9
85.02418	0.4
85.02885	4.7
85.06512	0.7
86.09579	0.3
89.38852	0.3
91.03944	1.4
91.05458	7.8
93.07027	14.9
95.04449	0.3
95.04951	4.3
95.08591	4.5
97.02338	0.3
97.02869	2.9
97.06512	2.9
97.10124	1.2
99.04447	1.8
101.02263	0.3
105.04521	0.3
105.07007	5.6
107.04275	0.4
107.04933	4.7
107.07877	0.4
107.08573	8.0
109.02808	0.6
109.06493	4.3
109.10175	1.5
111.04425	2.1
111.08012	1.2
111.11654	0.5
117.06998	4.6
119.08559	6.2
121.06510	1.9
121.10141	5.1
123.04383	0.5
123.08040	6.3
123.11655	0.3
125.05960	0.8
125.09579	0.8
127.03893	0.4
129.06949	1.0
130.07741	0.7
131.08556	2.0
133.06451	0.3
133.10167	1.4
135.04408	0.3
135.08040	1.4
135.11667	7.9
137.09567	0.9
139.07492	0.7
143.08517	0.7
145.04897	0.5
145.06438	0.7
145.10097	10.3
147.07954	1.4
147.11601	0.5
149.05814	0.3
149.09578	0.6
151.11166	0.3
153.12741	1.6
155.08498	1.2
159.11740	0.3
163.11147	17.2
173.09602	2.6
181.12193	2.7
184.07231	0.4
191.10628	2.4
193.12163	0.3
209.11703	4.7
227.12758	2.9
269.17548	0.4
283.15344	100.0
284.15762	2.3
335.76144	0.3
429.17801	0.7
491.26312	50.8
492.26721	1.4
534.35107	0.3
670.38501	0.3
688.40912	0.3
718.74835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01849	0.9
55.05281	0.3
55.05503	10.4
57.03429	11.1
57.07059	1.8
59.04997	3.3
61.02928	3.4
65.03932	1.9
67.05495	86.5
68.05827	1.0
69.03423	1.3
69.07057	6.6
69.41245	0.8
69.41656	3.5
71.04984	3.4
71.08591	0.5
73.02913	1.3
79.05482	14.4
79.44772	0.4
81.03433	0.5
81.07047	33.3
83.04972	1.0
83.08601	7.2
85.02895	4.3
85.06521	2.7
91.03936	1.9
91.05468	11.5
91.05997	0.8
93.07030	19.7
94.07353	0.4
95.04967	1.5
95.08591	22.1
96.08928	0.5
97.02901	2.0
97.06547	1.2
97.10168	1.4
98.20765	0.8
99.08096	0.5
105.07019	5.2
107.07851	0.6
107.08581	11.6
107.85471	0.4
109.10141	67.4
110.10490	1.0
111.08088	3.6
117.07014	2.5
119.08563	9.4
121.10120	9.1
123.08072	0.8
123.11677	3.6
125.09628	1.3
127.03905	0.4
131.08554	5.1
133.10110	4.6
135.11670	6.4
137.09608	3.4
137.13216	1.0
145.10107	4.3
147.11673	2.8
149.13222	4.0
153.12773	0.5
155.10626	4.2
159.11627	3.1
161.13228	2.4
163.14767	2.4
163.29985	0.5
173.11732	19.4
173.13219	2.9
174.12041	0.8
175.14853	0.9
177.16318	0.9
187.14909	1.2
189.11197	1.1
201.10999	0.4
201.16318	0.6
219.17729	0.5
227.12741	5.2
229.14319	100.0
230.14685	3.6
243.21045	3.6
261.22113	15.7
262.22369	0.8
279.23422	0.5
299.23663	0.6
317.24655	2.0
333.24210	0.4
335.25754	64.7
336.26074	3.3
379.29822	0.9
390.74072	0.5
397.30896	1.1
415.32040	1.4
433.33380	0.5
471.34433	1.1
489.35693	39.0
490.36310	3.5
507.36746	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	686.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.8
55.01874	0.7
55.05503	12.1
57.03429	14.5
57.07064	2.4
57.20287	0.5
59.04989	4.8
61.02911	6.0
65.03931	2.1
67.05493	100.0
69.03413	2.1
69.07056	8.2
69.48188	4.7
71.04980	3.4
73.02885	1.3
79.05479	21.3
79.09560	0.5
79.29480	0.6
81.03405	1.5
81.07043	41.1
82.07401	0.8
83.04960	1.6
83.08608	10.3
85.02886	4.0
85.06509	3.2
91.03938	1.5
91.05462	13.2
93.07027	28.3
95.04964	2.5
95.08591	30.5
97.02879	3.7
97.06516	2.2
97.10165	2.2
99.08099	0.7
105.07013	8.5
107.08583	15.6
109.10138	83.4
110.10472	0.8
111.04459	0.6
111.08058	3.7
113.09626	0.8
114.63901	0.6
117.06998	3.4
119.08560	10.8
121.10130	12.3
122.92624	0.6
123.08044	0.7
123.11697	4.1
125.09598	1.3
127.11223	0.6
129.06960	0.6
130.48080	0.7
131.08533	5.1
133.10117	4.7
135.11664	9.0
137.09595	3.9
137.13222	1.6
139.11090	0.7
144.72775	0.7
145.04877	0.7
145.10092	4.7
147.11688	3.9
149.13252	3.9
150.53694	0.5
155.10617	4.5
159.11626	3.9
161.13272	2.7
163.14790	3.0
173.11734	22.6
173.13228	3.1
175.14806	1.6
177.16359	0.7
187.14818	1.5
217.19234	0.6
227.12730	3.9
229.14311	93.8
230.14716	1.2
243.21054	6.1
259.20630	0.7
261.22092	20.3
263.23480	0.6
279.23126	0.7
291.40308	0.7
317.24680	3.0
335.25748	85.6
336.26080	3.5
395.27716	0.9
397.30936	1.4
415.31818	1.6
415.66339	0.6
430.36902	0.7
471.34415	1.0
489.35669	70.0
490.36292	3.6
507.36511	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	686.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89815	0.5
53.03942	0.8
55.05513	0.6
57.03423	2.9
69.03431	1.3
69.07029	0.6
69.36854	0.6
69.43745	4.3
69.44157	1.0
70.06599	0.8
71.04987	16.9
73.02893	1.4
75.04464	1.0
79.05479	0.9
81.07050	0.9
83.04980	2.8
85.02895	25.1
87.04473	1.0
91.05445	5.8
93.07010	1.3
95.04945	2.3
95.08551	0.8
97.02860	1.6
99.04441	1.5
103.05450	2.2
105.07013	1.5
107.04929	2.6
107.08560	0.9
109.02865	0.6
109.06483	1.6
111.04435	1.4
115.05360	0.7
117.06964	1.0
119.04928	6.5
121.06465	3.0
121.10097	0.7
122.03690	1.3
123.04411	1.1
123.08037	0.8
127.02959	0.6
127.03868	1.3
128.06238	0.7
129.05478	8.0
129.06982	3.6
131.04927	5.0
131.08664	0.7
133.06479	0.7
135.08011	1.7
136.05177	0.8
137.05959	46.7
138.06343	0.7
143.04852	1.4
145.04944	0.8
145.06474	2.3
145.81296	0.7
146.08055	1.0
147.04430	1.2
147.06494	4.5
147.08025	0.9
149.05952	5.9
151.03897	2.2
151.07524	45.0
157.06490	3.6
161.05954	7.0
161.09610	1.1
163.07526	21.7
164.09210	3.6
164.10359	0.6
165.06985	1.4
165.09102	1.7
167.07144	1.1
167.08530	2.7
171.08018	1.2
174.06755	2.3
175.07518	8.0
177.05487	1.9
177.09088	22.8
177.16368	0.8
178.07709	1.0
179.07076	0.7
179.08502	0.8
187.07552	1.1
189.09073	16.7
191.07033	1.0
193.06511	1.0
193.08499	0.7
193.10155	1.6
195.08025	6.4
195.10121	3.0
201.08849	0.6
203.06996	1.4
203.08830	0.6
203.10640	2.3
207.10146	2.2
209.08028	1.5
209.09775	1.5
210.06749	1.2
211.07492	1.2
212.08333	0.7
213.09100	0.8
219.08200	0.7
219.10019	2.7
221.05988	3.6
221.09587	2.9
221.11702	7.7
223.07539	4.1
224.08243	1.2
225.09160	2.9
227.10641	12.6
237.09073	1.1
238.06299	1.3
238.09682	0.8
240.07755	1.6
241.08574	0.7
241.12186	0.8
249.09039	2.0
249.11250	2.0
250.09782	0.7
253.08565	6.2
253.12207	6.6
255.06305	0.6
255.10153	12.6
261.11398	0.9
265.08472	0.9
266.09625	0.6
267.10114	3.2
269.08002	0.9
269.11749	0.7
272.10513	0.8
278.09262	0.7
281.11765	2.2
284.10373	1.2
285.11185	9.9
287.12747	23.6
293.11572	0.8
295.10504	0.7
297.11121	1.4
299.12695	3.1
309.11453	1.8
311.12823	3.1
313.14285	14.4
314.14478	0.7
316.95428	0.7
317.11502	0.8
321.11304	1.0
323.12796	0.8
325.14069	1.4
331.15359	100.0
332.15759	3.0
335.12668	0.6
337.14307	1.3
341.13834	0.8
343.15381	13.3
353.14136	0.8
355.15503	3.7
357.16928	1.4
367.15274	6.0
385.16443	5.1
397.16437	2.1
405.17065	0.9
423.17795	3.2
441.19083	3.8
459.20087	1.7
466.20029	0.8
474.55350	0.6
477.21323	4.6
492.17877	1.0
711.45618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
55.01862	3.2
55.05505	21.3
57.00066	0.9
57.03434	10.0
57.07067	35.0
58.03820	1.0
67.05495	28.9
69.03421	12.6
69.07053	11.4
71.04985	3.8
71.08620	24.2
71.62756	1.1
73.02905	2.5
73.06516	1.2
79.05481	14.0
81.03407	62.3
81.07044	31.9
82.03739	1.3
82.78233	1.1
83.04971	42.1
83.08611	23.6
83.09097	1.2
85.02896	13.8
85.06540	2.2
85.10167	14.1
89.06030	1.3
91.05460	15.7
91.05988	1.1
93.07035	11.1
95.04948	15.7
95.08601	23.1
97.02884	9.1
97.06514	3.7
97.10163	7.6
99.04459	4.0
99.08091	1.8
105.07014	12.8
107.04937	5.1
107.08597	5.9
109.02862	8.9
109.06491	3.4
109.10145	13.5
111.04424	13.8
111.08074	6.1
113.06017	1.4
117.06996	1.3
119.04961	1.2
119.08569	14.1
121.06475	1.2
121.10134	7.1
123.08053	1.9
123.11710	4.8
125.09663	1.8
127.03929	5.2
129.05473	17.0
129.06958	7.4
131.08537	7.8
133.06454	1.6
133.10135	6.5
135.11662	3.3
137.13205	1.6
142.07794	1.5
145.10071	2.9
147.08057	2.3
147.11670	12.2
149.09633	5.1
153.12741	2.4
157.10101	9.8
163.11266	5.2
165.12727	3.1
173.09624	1.7
175.11156	10.8
181.12262	3.1
185.13177	1.4
191.10648	2.3
193.12228	32.6
194.12596	1.6
211.13268	49.8
212.13646	1.2
227.12801	6.2
229.14305	9.6
239.23657	3.0
249.14880	1.7
252.77191	1.1
261.22058	1.7
267.15872	18.7
283.15262	2.2
285.16925	11.7
285.47162	1.1
309.17032	1.4
313.27319	60.6
314.27762	3.3
319.15460	1.7
335.25851	5.8
337.16489	2.6
355.17538	5.2
411.19980	3.7
429.21149	20.7
489.35645	2.9
505.38864	14.0
523.39899	100.0
524.40234	8.5
539.39294	1.4
544.98596	1.2
573.47961	1.4
631.42371	1.4
667.44080	20.5
668.44391	2.9
685.44653	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01863	4.1
55.05509	25.2
57.03431	17.0
57.07069	53.4
57.28986	1.7
61.02930	2.2
65.03928	2.6
67.05502	31.7
69.03414	17.3
69.07059	14.2
71.04989	6.7
71.08625	39.7
79.05488	21.8
79.41837	1.6
81.03412	80.0
81.07047	43.5
82.03746	1.7
83.04968	42.2
83.08608	31.4
85.02898	15.5
85.06528	2.2
85.10171	21.1
89.06004	4.7
90.82593	1.5
91.05457	21.7
93.07042	15.9
95.04958	21.7
95.08599	38.6
97.02872	16.6
97.06532	5.1
97.10159	11.7
98.20678	4.0
99.04449	5.3
99.08090	3.1
99.11739	1.7
101.02412	1.5
103.07539	1.8
105.07024	20.1
107.04951	7.8
107.08558	8.3
109.02869	10.3
109.06476	4.0
109.10149	17.1
110.92168	1.7
111.04445	14.8
111.08075	12.4
111.11749	2.1
113.06042	2.2
117.07038	2.1
119.08567	19.1
121.06506	2.3
121.10141	11.3
123.08123	2.2
123.11711	7.1
125.09680	1.9
127.03919	10.4
129.05464	14.8
129.06976	8.4
131.08575	9.9
133.10092	9.5
135.08058	2.0
135.11696	5.5
137.09605	2.2
137.13242	4.0
139.61618	1.9
142.07741	3.4
145.10120	7.2
147.08014	2.5
147.11664	18.2
149.09584	6.5
153.12737	2.7
157.10136	13.4
163.11192	5.4
165.12772	3.2
175.11159	13.1
181.12210	3.0
189.12814	1.9
191.10777	2.1
193.12221	47.4
205.64803	1.6
211.13287	61.3
212.13628	2.6
227.12726	7.9
229.14279	9.6
239.23709	7.0
257.24673	1.9
267.15881	16.6
283.15469	2.3
285.16959	18.6
313.27328	99.9
314.27701	5.6
317.28088	1.7
318.89743	1.8
319.15298	1.8
335.25922	2.4
337.16370	3.2
355.17477	5.9
383.27698	2.6
393.18927	3.0
411.20050	5.0
429.21185	20.5
489.35718	2.1
505.38943	22.7
523.39893	100.0
524.40143	7.8
545.38324	6.5
605.07123	1.9
667.44147	30.7
668.43665	3.4
685.44525	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	684.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.0
51.52994	0.5
52.66832	0.6
53.03940	3.0
53.05408	0.5
55.01854	1.6
55.05257	0.7
55.05503	9.0
57.03415	2.4
61.02908	0.7
65.03925	1.7
67.05495	24.2
69.03405	1.6
69.07057	6.4
69.55164	2.7
69.55598	2.3
71.04971	1.4
71.08607	1.7
73.04741	0.6
73.06537	1.1
74.23196	0.6
79.05482	42.3
80.05805	0.9
81.03407	9.3
81.07046	25.7
83.04972	8.4
83.08611	5.5
85.02894	1.4
85.06530	1.5
91.05464	29.6
92.05794	0.9
93.07028	42.7
94.07362	0.7
95.04346	0.9
95.04954	12.3
95.08594	16.1
97.02871	1.1
97.06506	3.0
97.10139	1.7
99.08080	1.9
103.05456	0.8
105.04518	0.9
105.07014	23.6
106.07304	0.7
107.04963	3.8
107.08578	10.6
109.06496	3.8
109.10125	3.3
111.08054	1.1
117.06995	5.4
119.08562	15.0
121.06480	1.6
121.10127	4.2
123.08029	4.2
124.56801	0.6
127.07512	0.9
128.06256	0.8
129.06989	10.1
131.08531	2.7
133.06523	0.9
133.10106	7.1
135.11687	2.2
141.06984	0.8
143.08536	5.7
145.10089	6.1
147.07993	2.2
147.11665	20.4
148.12007	1.0
148.51947	0.6
149.09605	0.8
151.03868	1.2
151.11151	0.8
156.09343	0.9
157.10165	0.7
159.11703	1.5
161.09625	2.9
161.13231	7.0
163.11206	1.6
171.11674	16.0
179.14301	4.4
189.12735	6.8
193.12195	1.0
207.13763	17.6
225.14931	1.2
226.06310	0.6
227.12732	1.3
236.16426	1.3
257.85931	0.6
259.11392	0.7
263.16406	1.5
277.21478	2.6
281.17441	42.3
282.17804	2.0
309.07782	0.7
328.26822	0.6
334.18887	0.6
461.28827	1.7
469.29443	2.4
487.30493	100.0
488.30798	5.2
529.31702	0.7
543.36731	18.5
544.36859	1.6
666.37164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.9
55.01876	14.1
55.05508	14.7
57.03431	12.7
57.07069	42.0
65.03926	3.1
67.05495	38.6
69.03415	21.8
69.07061	12.5
69.67563	9.1
69.67976	3.5
71.04974	12.3
71.08620	30.9
72.90064	1.6
73.08042	1.4
75.12746	1.4
79.05478	20.6
81.03410	100.0
81.07046	29.8
82.03763	1.7
83.01339	2.2
83.04974	32.0
83.08608	18.1
85.02893	10.2
85.10166	13.3
91.04979	1.7
91.05460	11.1
93.07037	23.9
95.04964	5.1
95.08597	31.6
97.02880	31.2
97.06493	8.6
97.10161	6.9
98.20736	3.0
99.04445	12.7
101.02395	2.5
103.03951	2.0
105.07003	8.9
107.04961	6.5
107.08556	14.0
109.02197	3.3
109.02874	30.3
109.06535	3.9
109.10141	16.3
111.04420	33.3
111.08072	9.9
117.07024	5.6
119.08576	6.6
121.06535	2.5
121.10130	12.6
123.11705	5.6
125.09631	3.6
127.03916	21.0
129.06964	3.5
131.08563	7.7
133.10133	2.2
135.08047	2.1
135.11691	15.4
145.10100	13.3
147.04352	1.8
147.11652	3.3
149.09593	2.6
153.12721	19.7
163.11168	20.4
173.09630	3.8
181.12233	23.5
189.11374	2.2
191.10631	19.8
193.12263	2.0
209.11754	8.7
211.08890	1.6
219.74287	1.9
227.12749	47.5
239.23679	5.5
283.15378	20.6
289.14511	2.0
311.25793	2.2
313.27325	76.4
314.27606	2.9
341.26755	2.5
353.15851	20.9
409.18811	2.1
427.19571	33.6
521.38507	12.7
539.39471	12.2
665.42487	29.0
666.42926	3.6
683.43793	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	682.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.0
57.03419	2.4
57.07060	1.9
61.02909	2.9
67.05493	16.0
69.03403	6.6
69.07056	8.1
71.04966	2.6
71.62561	2.6
79.05476	8.8
81.03403	8.3
81.07045	26.3
83.04967	1.7
83.08604	4.7
85.02897	8.0
85.06530	2.6
91.05473	14.9
92.05772	2.1
93.07026	21.5
95.04960	4.3
95.08595	35.4
97.02879	5.9
97.06505	4.7
97.10146	2.7
99.04414	1.7
99.07458	1.3
99.08069	5.0
105.07036	21.1
105.07697	3.1
107.04937	7.9
107.08580	28.3
108.05297	1.9
108.08887	1.6
109.02859	2.7
109.06512	3.0
109.10157	15.5
111.04414	1.7
111.08066	4.2
113.05985	2.2
117.07007	3.4
119.04954	9.6
119.08564	39.6
120.05253	1.9
120.08929	2.2
121.06478	2.1
121.10126	20.6
123.08086	8.4
123.11630	7.2
125.09628	3.3
127.03899	3.0
129.06990	2.6
131.08542	20.2
133.10109	25.0
135.08046	2.8
135.11673	12.7
137.05936	2.6
137.09541	2.1
139.07497	2.7
143.08514	9.2
145.04985	1.8
145.10100	26.3
147.04387	31.7
147.08008	1.7
147.11655	32.5
148.04733	19.3
149.04945	5.8
149.06017	2.9
149.09601	3.9
149.13243	5.3
151.07535	1.8
151.11237	2.9
153.09061	1.6
153.12741	1.5
155.08470	1.9
157.10092	14.1
158.10857	2.2
159.11668	21.1
161.09605	5.2
161.13210	14.7
162.07527	1.5
163.07556	2.6
163.11148	2.0
163.14807	5.5
165.09178	1.6
165.12758	2.3
169.09932	2.0
170.10851	1.8
171.11749	8.9
173.11761	2.3
173.13223	23.6
175.11203	3.4
175.14818	25.3
177.16376	8.0
179.14232	1.7
180.08653	4.2
183.11656	5.0
184.07289	1.8
185.13234	16.9
187.11201	1.7
187.14804	34.4
189.12680	3.4
189.16348	8.2
191.14305	6.3
193.12183	4.2
193.15887	4.5
195.11745	2.6
195.13791	4.9
197.13228	3.6
199.14784	22.3
201.16356	32.2
203.14233	9.8
203.17955	6.8
205.15717	3.5
209.13361	3.3
211.14758	4.0
213.16347	10.0
215.14241	4.0
215.17928	3.6
217.15776	3.1
219.13736	3.7
219.17415	5.0
221.13297	2.5
221.15320	18.1
223.14877	1.8
225.16277	6.2
227.17961	2.4
229.15990	2.8
229.19664	2.8
231.13826	2.0
233.15288	5.4
235.16888	4.8
239.17952	4.4
241.19450	3.4
243.15845	2.8
245.15359	4.9
245.87267	1.6
247.16905	7.0
247.29547	1.5
249.14839	5.4
253.19417	2.9
259.16901	2.6
267.15814	5.1
267.21024	3.1
271.06351	1.5
279.20859	1.9
287.05341	4.7
288.05801	3.7
307.24155	2.0
310.01166	1.6
315.22983	2.8
321.25684	2.0
357.24069	2.0
375.30350	5.5
376.50272	1.7
376.55270	1.6
377.32358	1.8
393.31473	11.2
395.32849	2.7
403.25128	1.8
403.30048	5.8
405.31223	2.1
411.32404	6.5
421.30975	70.5
422.31207	3.4
423.32385	6.5
435.27121	3.0
439.32004	39.5
440.32245	2.5
441.33334	2.4
449.30649	12.2
457.33078	24.4
467.31497	100.0
468.31650	6.0
485.32596	30.9
486.32660	2.6
503.33685	13.9
520.32422	3.2
682.34821	4.9
683.30450	14.7
697.87305	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.01859	0.4
55.05503	1.5
57.03434	1.5
57.75495	0.3
61.02920	3.7
67.05498	5.1
69.03423	2.6
69.07060	1.7
70.77860	1.0
71.04993	0.8
73.02899	2.5
79.05478	2.6
81.03403	2.2
81.07046	7.0
83.04973	1.1
83.08610	1.3
85.02898	3.9
85.06558	0.4
88.39117	0.3
91.03944	2.1
91.05463	3.2
93.07031	4.3
95.04957	0.6
95.08603	2.2
97.02880	3.3
97.06527	1.3
97.10153	0.4
98.21356	0.3
99.04435	0.8
101.02357	1.4
105.07030	2.3
107.04958	0.4
107.08566	2.1
109.02869	0.9
109.06535	0.7
109.10165	1.4
111.08086	0.6
117.06999	0.5
119.04932	1.3
119.08578	1.9
121.06516	0.4
121.10140	1.9
122.92446	0.3
123.08020	0.4
123.11696	1.9
123.92099	0.4
127.03903	1.8
127.07552	0.3
129.07065	0.4
131.08572	0.8
133.10129	1.3
135.08003	0.4
135.11679	0.7
147.04398	5.7
147.11665	3.8
148.04724	1.9
149.04910	0.3
149.13245	2.3
157.10139	0.5
159.11696	1.0
165.12733	1.7
185.04227	0.6
203.05373	0.6
227.12659	0.4
235.13068	1.4
243.08339	1.7
251.12459	1.2
267.15964	0.4
269.12363	0.5
269.17563	0.9
271.13794	0.4
291.16013	0.6
291.19598	0.6
295.91455	0.3
307.15121	0.8
339.33640	0.3
342.03830	0.3
401.76157	0.4
407.10181	0.7
425.21649	0.8
453.20944	6.5
454.21405	0.6
469.20331	9.1
470.20261	0.4
471.21652	0.4
519.29163	0.5
637.35443	0.6
681.34424	100.0
682.34778	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	681.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81668	0.4
53.03936	0.7
53.49076	0.4
55.01859	0.8
55.05494	1.4
57.03418	2.1
61.02921	4.1
67.05498	6.1
68.05812	0.4
69.03423	3.3
69.07059	2.0
71.01351	0.5
71.04984	2.7
73.02904	3.3
79.05492	3.6
79.98366	0.4
81.03410	4.4
81.07051	7.8
83.04974	1.2
83.08600	2.2
85.02897	6.4
85.06543	1.4
87.04493	0.5
91.03942	2.6
91.05483	2.4
91.62649	0.4
93.07029	5.6
95.04961	1.4
95.08591	3.0
96.32311	0.4
97.02880	4.4
97.06504	1.2
97.10140	0.6
99.04451	1.0
101.02380	1.7
105.07003	2.2
107.04909	0.5
107.08566	3.6
109.02832	0.7
109.06488	0.7
109.10130	1.9
111.08053	0.7
113.06020	0.5
117.07006	0.8
119.08577	2.1
121.06472	0.6
121.10137	1.7
121.18752	0.4
123.08032	0.7
123.11665	0.4
127.03894	1.5
127.07535	0.8
129.06996	0.4
131.07057	0.6
131.08583	1.3
133.10114	1.8
135.11693	1.3
145.04887	0.5
145.08580	4.2
145.10182	0.6
147.07947	0.4
147.11676	1.5
149.09627	0.5
149.13269	3.0
157.10144	1.5
159.11687	1.5
173.52162	0.4
175.11168	0.9
185.04269	0.7
190.95326	0.4
191.09164	1.1
193.12222	1.1
195.13863	0.7
203.05229	0.5
235.13121	1.1
241.06769	0.5
243.08440	2.1
251.12498	0.8
267.15952	0.6
269.17474	1.0
291.15619	0.8
335.13483	0.6
453.20901	9.7
454.20953	0.7
469.20355	4.9
481.25842	0.5
681.34454	100.0
682.34717	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	680.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01841	0.4
55.05505	2.2
57.03413	1.0
57.07063	0.4
61.02910	0.6
65.03916	1.2
67.05492	4.2
69.03419	1.6
69.07053	2.7
69.44353	0.7
69.44761	1.7
71.04975	0.7
73.02898	0.5
77.03884	0.4
79.05474	3.2
81.03406	3.4
81.06569	0.5
81.07043	7.7
82.03742	0.4
83.04958	0.9
83.08596	1.5
85.02886	4.1
85.06499	0.9
91.03938	0.3
91.05464	12.1
92.05801	2.8
93.07032	5.0
95.04920	1.4
95.08592	8.4
97.02891	2.2
97.06506	0.9
97.10167	0.8
99.04438	0.7
99.08102	0.7
99.35084	0.3
105.07007	9.8
106.07343	0.4
107.04935	0.7
107.07853	0.5
107.08578	9.5
109.02869	3.6
109.06509	1.6
109.10143	9.8
109.10903	0.5
110.03208	0.8
111.08067	0.9
113.06010	0.3
115.05457	0.4
117.06998	1.3
119.04919	22.5
119.08559	14.8
119.09435	0.4
120.04465	0.5
120.05260	6.7
120.08847	0.4
121.06463	0.8
121.10118	8.2
122.10479	0.3
123.08064	0.7
123.11693	3.1
125.00019	0.3
125.05970	0.5
125.09618	0.5
127.03879	3.3
127.07502	0.4
128.04231	0.3
128.06233	0.3
129.06978	1.0
131.08553	7.1
133.10106	8.7
134.10466	0.4
135.08044	1.4
135.11658	4.0
137.05934	0.4
137.08644	0.3
137.09564	1.4
137.13226	0.8
138.05498	0.3
139.07565	0.4
139.11200	0.3
142.07721	0.6
143.08540	5.2
143.79449	0.3
144.09238	0.4
145.04939	0.7
145.10098	12.3
147.04382	100.0
147.11674	6.0
148.04716	36.3
149.04913	0.8
149.09572	1.0
149.13232	2.5
151.07539	0.5
151.11147	0.9
155.08530	2.2
156.09261	0.4
157.10106	5.3
158.10843	0.6
159.08046	0.4
159.11659	8.2
161.09589	0.8
161.13222	5.4
163.07494	0.7
163.11142	1.0
163.14783	2.4
165.12769	0.5
168.09283	0.3
169.10104	2.1
170.10851	0.9
171.11646	6.1
172.12355	0.3
173.09569	0.5
173.13229	9.1
175.11266	0.5
175.13249	0.7
175.14795	13.2
177.09143	0.4
177.12730	1.2
177.16330	1.7
179.10626	0.5
179.14258	0.6
180.08626	1.0
181.10094	0.6
181.12318	0.5
182.10811	0.5
183.11639	2.2
184.07314	1.2
185.13242	6.7
187.14786	10.7
189.12746	1.2
189.16336	2.4
191.10641	0.4
191.14285	3.5
193.12273	0.9
193.15845	0.4
195.11687	0.9
195.13631	0.3
197.13223	4.6
199.14778	15.8
200.15311	0.5
201.16348	9.4
201.18228	0.5
203.14310	0.4
203.17955	0.8
205.15906	1.6
207.13809	0.3
209.13351	2.3
209.15211	0.4
211.13219	0.5
211.14828	3.1
212.15483	0.4
213.16344	10.6
215.14264	0.9
215.17892	1.0
217.12283	0.3
217.15829	0.8
219.13802	1.1
219.17438	0.4
221.15283	0.6
223.14781	1.3
223.16963	0.8
225.16402	1.4
227.17892	3.0
229.07013	0.3
229.16019	0.5
229.19527	0.9
231.13823	1.3
231.17389	0.8
233.15350	1.3
237.14470	1.4
237.16727	0.6
239.17932	1.4
241.19426	1.9
243.13713	0.8
245.15346	4.7
247.16882	1.7
251.17972	1.0
253.14366	1.0
253.19511	0.9
254.14664	0.5
255.15863	0.4
255.21053	0.6
257.15314	0.7
259.16895	5.4
263.18106	0.5
265.19525	0.8
267.15921	0.6
267.21158	1.6
269.12451	0.4
273.18436	4.3
277.19458	0.5
279.20993	0.3
285.16742	0.5
287.05380	1.5
287.20148	0.4
288.05756	1.3
297.18506	0.4
303.23572	0.5
305.22586	0.6
307.24048	2.0
309.25665	0.6
317.22601	0.3
325.21512	0.4
335.27313	0.4
343.67899	0.3
349.21356	0.3
351.25528	0.4
353.24564	2.0
363.30463	0.4
369.25818	0.3
373.28857	2.7
375.30270	1.2
381.27646	0.5
391.29877	15.2
392.30142	0.4
393.11734	0.5
393.31451	1.4
409.31042	6.8
419.29367	7.6
421.31030	1.2
437.30453	20.0
438.31082	0.4
439.32098	0.5
447.28033	0.6
455.31506	26.1
456.32025	0.8
465.29742	4.6
483.31006	9.9
501.32071	2.0
548.32324	0.3
600.62183	0.3
617.36755	2.1
645.35773	0.9
680.33203	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37079	0.8
53.03930	2.0
53.30168	0.8
53.94268	0.8
55.05499	10.5
57.03433	6.1
57.07053	2.8
61.02917	23.5
65.03922	1.9
67.05494	51.8
68.05829	1.2
69.03402	3.0
69.07056	12.3
70.81836	1.6
70.82206	1.8
71.04979	2.1
73.02903	8.6
74.84572	0.8
79.05482	34.4
81.03406	3.2
81.07043	67.9
83.04945	2.0
83.08595	6.9
85.02889	28.2
85.06518	3.2
87.04444	0.9
91.03942	25.3
91.05459	18.1
92.05801	0.9
93.07031	47.2
95.04961	4.0
95.08592	65.7
97.02882	15.2
97.06519	4.0
97.10149	2.1
99.04436	2.0
99.08074	3.7
103.03956	1.2
105.07019	20.6
107.08577	38.5
109.02861	1.7
109.06496	3.1
109.10137	38.4
111.08062	2.7
113.09623	1.8
115.03887	1.3
117.07013	8.6
119.08557	16.9
121.10125	34.0
123.08033	1.7
123.11692	15.8
125.09628	2.0
127.03906	9.9
131.08539	19.0
133.10117	14.9
135.11662	30.7
137.09584	1.7
137.13203	3.8
139.11139	2.2
143.08571	1.3
145.04938	14.3
145.10100	19.8
147.04366	2.3
147.11673	16.1
149.09602	1.0
149.13242	23.3
151.11153	4.1
153.12633	1.1
159.11681	19.1
161.13251	7.1
163.06003	20.6
163.11156	1.4
163.14775	9.9
165.12746	2.9
173.13252	14.4
175.14766	1.4
177.12752	2.0
177.51918	0.9
183.11588	0.9
184.07336	0.9
187.14803	6.4
189.16367	1.6
191.14221	1.8
201.16420	2.8
219.21046	4.0
229.19470	42.5
230.19725	1.2
247.20535	100.0
248.20786	2.2
249.22041	2.2
265.21512	5.7
321.24191	37.3
322.24365	1.5
339.25256	61.3
340.25549	1.6
483.29401	8.2
680.33978	2.2
681.33276	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
53.03931	0.1
55.01873	0.1
55.05504	0.2
57.03424	0.1
60.08152	0.3
61.07182	0.1
63.02375	0.1
65.03921	1.0
67.05493	0.4
68.05867	0.1
68.99779	0.1
69.03411	0.1
69.07047	0.2
71.04982	0.1
71.07331	0.1
71.62479	0.1
72.67476	0.1
77.89263	0.1
79.05477	0.4
81.03406	1.2
81.07044	0.6
83.04976	0.2
83.08602	0.2
85.02892	0.2
85.06548	0.1
86.09690	1.0
87.10030	0.1
91.05465	8.8
92.05799	0.2
93.07039	0.4
95.04953	0.3
95.08592	0.3
97.02877	0.5
97.06512	0.1
97.10157	0.1
98.98438	0.1
99.04463	0.2
104.10743	0.1
105.03373	0.1
105.07021	0.2
107.04961	0.1
107.08574	0.3
109.02858	1.4
109.03579	0.1
109.06506	0.1
109.10143	0.3
111.04440	0.1
119.04924	22.5
119.08565	0.2
120.05255	0.4
121.02819	0.3
121.06547	0.1
121.10132	0.2
123.11714	0.2
124.99996	0.7
125.09634	0.1
127.03919	0.4
131.08589	0.1
133.02846	0.1
133.10130	0.3
134.10493	0.1
135.08043	0.1
135.11676	0.2
137.02284	0.1
145.08678	0.1
145.10081	0.2
147.04387	100.0
148.04720	1.9
149.09549	0.1
149.13348	0.1
151.11139	0.1
153.01772	0.5
163.11186	0.1
165.01823	0.2
165.05531	0.1
167.07042	0.1
169.04950	0.1
171.11691	0.1
183.02924	0.1
184.07307	3.6
185.07646	0.4
193.12218	0.1
209.11639	0.1
211.13268	0.2
212.13748	0.1
213.05408	0.2
231.06483	0.1
241.04916	0.1
253.14276	0.3
254.14627	0.1
255.15901	0.2
258.05316	0.2
273.07611	0.2
283.15378	0.1
285.16925	0.1
287.05460	10.7
288.05844	0.3
333.09494	0.1
393.11765	0.2
463.26935	0.2
464.26834	0.2
481.27914	0.1
482.27826	0.1
640.42065	0.1
679.34943	0.3
696.27991	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29313	0.6
53.78725	0.6
55.05486	1.5
56.18562	0.6
60.27248	0.6
61.72712	0.6
67.05466	1.6
69.03391	0.7
69.07045	1.6
69.44386	3.1
69.44816	3.7
69.54199	0.6
71.04976	0.7
79.05480	3.7
80.05022	1.2
81.03387	1.4
81.05782	1.0
81.07026	2.8
82.06561	2.1
82.11366	0.6
83.08619	0.9
85.02869	1.5
85.06530	0.9
91.05457	2.2
93.07029	6.1
94.06557	8.2
95.04954	1.4
95.07337	6.1
95.07883	1.0
95.08595	1.8
95.93841	0.7
96.08113	15.1
97.06500	2.6
100.11234	4.6
103.05425	1.9
105.07013	1.8
106.06539	4.3
107.07297	0.8
107.08556	1.1
108.04429	1.5
108.08099	15.7
108.08836	0.9
109.02840	0.9
109.06486	1.2
109.10094	1.2
110.06000	2.5
110.09658	24.9
111.04453	0.9
118.06496	1.4
120.04411	3.5
120.08079	15.7
121.06484	1.6
121.10124	1.4
122.06013	8.2
123.06767	0.9
124.07571	12.3
127.03881	0.7
132.08124	1.6
134.05992	2.4
134.09619	1.6
136.07549	19.8
137.05931	2.5
138.05438	1.7
138.09111	37.3
139.09401	0.7
140.07039	1.1
144.04448	4.1
146.05975	21.3
146.09607	2.1
147.04346	1.0
147.11684	0.9
148.07539	12.9
150.05496	1.7
150.09106	9.3
151.03773	0.8
152.07048	14.9
152.08257	1.2
153.01787	3.1
154.02113	0.9
158.06024	1.0
160.03928	1.7
160.07538	2.1
162.05473	1.9
162.09047	0.9
164.07034	8.7
166.08609	72.2
167.06982	1.6
167.08911	1.5
172.03909	18.6
172.07503	1.2
174.05482	1.2
174.09035	1.6
176.07037	2.1
181.08890	0.7
182.08116	2.6
182.09622	0.8
182.15379	1.7
184.09840	1.1
190.04951	16.2
192.10136	1.1
193.08710	1.0
197.10716	2.7
198.11443	4.1
199.12361	1.1
204.06522	29.2
204.08441	1.4
208.09746	0.8
209.10747	2.1
209.16489	1.1
210.09599	0.9
210.11449	4.4
210.14865	2.1
210.40320	0.7
211.12198	6.8
212.09448	1.1
212.13066	2.4
218.08121	4.3
220.09882	1.2
221.10690	1.6
223.08771	0.9
223.12257	5.1
224.13028	1.7
225.10201	5.1
225.13846	1.6
226.10844	3.5
227.11816	5.4
235.08604	3.0
235.12408	2.2
236.09314	2.9
236.12939	0.9
237.10201	9.1
237.13785	2.7
238.10948	6.6
239.11731	13.1
240.12393	1.2
241.09657	1.3
241.13266	2.0
244.06056	1.1
245.12811	1.8
246.07603	2.9
248.09456	2.4
249.10188	12.8
250.10925	10.7
251.08174	1.8
251.11745	17.7
252.08931	1.9
252.12527	5.2
253.09706	2.8
253.13240	8.2
254.10370	0.8
255.11279	2.5
256.11969	2.8
257.12881	2.6
262.10883	1.5
263.11740	32.3
264.08871	4.0
264.12454	7.8
265.09717	6.9
265.13309	19.7
266.10440	4.1
266.13998	1.9
266.24579	0.9
267.11255	12.7
267.14557	1.1
268.11945	1.3
269.12796	6.8
271.11093	1.6
271.14371	6.0
273.12326	4.6
275.11728	2.2
276.08722	1.8
277.09656	4.5
277.12964	1.0
278.10416	5.5
279.11227	32.4
280.11758	3.2
281.12814	14.5
282.09949	2.8
282.13452	2.2
283.10721	5.9
283.14310	1.9
284.11389	3.8
285.12280	18.0
287.13757	4.0
291.11218	28.0
292.11948	6.8
293.09271	1.5
293.12753	27.1
294.09952	1.2
294.13110	1.6
295.10684	6.0
296.11539	2.7
297.12280	50.9
298.12939	5.1
299.13843	25.3
300.14288	1.3
301.15280	0.9
303.13730	0.8
304.08578	1.4
305.14844	2.6
307.10709	2.4
309.12274	36.4
310.12717	1.7
311.10205	4.9
311.13840	13.1
313.11777	1.2
313.15308	1.3
315.13324	22.2
316.14255	0.8
318.15799	0.8
319.10715	21.7
321.12286	6.8
323.10254	8.7
323.16422	3.3
324.10754	1.3
325.11795	32.1
326.12292	1.5
327.13394	5.6
330.15717	1.0
337.11755	100.0
338.12125	3.5
339.13214	4.6
341.11191	4.0
343.12860	4.3
344.17599	1.0
346.15451	0.8
351.13327	1.3
355.12906	3.2
355.16727	0.8
356.13766	1.4
357.14413	10.6
358.15222	1.2
359.15494	1.0
360.16452	0.9
362.18646	1.5
369.14404	6.3
370.15161	1.1
371.15918	3.3
372.16693	1.2
373.13931	4.2
373.17960	1.3
374.18744	1.5
390.17838	0.9
392.19641	1.0
398.14819	1.6
399.15442	1.3
401.13293	7.6
402.17966	1.7
404.19940	2.0
416.15939	2.6
420.19086	1.7
422.20502	2.1
428.15570	1.4
430.17627	3.6
431.17599	0.9
432.19086	3.3
438.20453	0.8
444.19095	1.7
446.20511	3.5
448.18677	2.6
449.19110	4.3
450.20056	6.9
458.17169	2.7
462.20343	8.4
463.20844	1.1
464.21902	60.7
465.22003	3.1
472.18890	3.6
474.20108	1.5
476.18085	5.8
478.19626	1.5
482.19250	3.1
490.19638	88.1
491.20096	3.8
492.21039	2.8
494.19089	2.1
496.21497	0.7
508.20721	12.8
514.21442	2.4
522.22290	68.0
523.22540	5.1
524.24036	1.3
526.21222	1.6
569.23523	1.2
587.25067	2.4
603.27917	2.0
611.24841	11.3
619.27246	1.7
629.25928	16.7
643.27313	1.5
647.26965	51.7
648.26892	2.7
661.28320	1.1
679.29559	12.1
679.50500	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	679.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97637	0.1
51.02382	0.1
53.03936	0.2
55.01843	0.1
55.05500	0.1
57.03424	0.1
65.03920	0.6
67.05496	0.4
69.03408	0.2
69.07050	0.3
69.27448	0.3
69.27866	0.9
71.04977	0.3
79.05476	0.3
81.03412	1.4
81.07038	0.6
83.04975	0.2
83.08602	0.2
85.02900	0.3
85.54883	0.1
86.09691	0.3
90.58498	0.1
91.05466	7.3
91.31622	0.1
93.07034	0.3
94.92754	0.1
95.04963	0.3
95.08604	0.4
97.02866	0.9
97.06553	0.2
99.04450	0.2
99.08073	0.1
105.07013	0.5
107.04971	0.1
107.08591	0.3
109.02861	2.9
109.03580	0.2
109.10136	0.3
111.08091	0.1
119.04922	20.6
119.08560	0.3
120.05272	0.3
121.02865	0.2
121.06491	0.2
121.10126	0.2
121.42802	0.1
124.99991	0.2
127.03899	1.7
131.08556	0.2
133.10098	0.3
134.10509	0.1
135.11667	0.2
138.05531	0.1
139.03850	0.1
145.08528	0.1
147.04387	100.0
148.04738	1.9
149.13289	0.1
151.11124	0.1
153.01808	0.4
157.10263	0.1
163.11140	0.2
165.01912	0.2
165.05431	0.2
169.04941	0.2
169.10173	0.1
183.03279	0.1
184.07315	1.4
185.05965	0.1
185.07634	0.1
211.13411	0.2
229.06960	0.3
253.14351	0.3
255.15845	0.1
273.07544	0.2
283.15399	0.1
287.05457	9.0
288.05774	0.3
333.09750	0.3
393.11819	0.7
463.26837	0.1
464.26855	0.2
467.18802	0.1
482.28320	0.2
525.15887	0.1
679.32800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.5
55.01860	3.4
55.05264	0.4
55.05500	5.9
57.03424	6.0
57.07050	0.5
60.08147	0.5
61.02908	2.4
61.72047	0.4
65.03899	1.4
67.05494	22.4
69.03413	3.7
69.06716	0.5
69.07055	7.2
69.48911	3.5
70.07361	0.5
71.04984	3.9
73.02860	0.7
79.05477	13.3
79.05939	0.7
81.02915	0.4
81.03403	23.8
81.07043	24.1
82.03729	0.5
82.07323	0.5
83.04485	0.5
83.04972	9.0
83.08146	0.6
83.08601	8.4
85.02422	0.6
85.02895	9.5
85.06535	2.7
86.09694	3.1
87.04443	0.4
91.03925	0.6
91.05465	23.5
92.05772	0.4
93.06471	0.8
93.07026	12.6
95.04951	11.5
95.08595	5.2
97.02865	2.7
97.06525	3.2
97.10126	1.8
99.04420	2.2
99.08086	0.9
104.10780	0.6
105.07014	19.0
106.07316	0.5
107.04945	3.1
107.07862	1.0
107.08575	17.3
108.08868	0.5
109.02855	2.3
109.06504	3.9
109.10139	30.6
110.10433	0.6
111.04408	1.4
111.08057	4.9
113.05975	2.7
115.05407	0.6
116.10696	0.6
117.06998	1.7
119.04927	6.0
119.07776	0.7
119.08561	7.8
121.06490	1.1
121.10120	4.0
123.07985	1.2
123.11683	6.8
124.99961	2.0
125.09581	1.4
127.03900	2.8
127.07516	2.6
129.06992	3.8
131.08531	4.6
133.06421	1.1
133.10107	40.9
134.10388	0.8
135.08047	0.5
135.11650	1.1
137.05942	0.7
137.09563	1.2
141.06981	0.7
142.07784	0.7
143.08481	1.2
145.10080	1.1
147.04385	20.7
147.07968	0.8
147.10628	0.5
147.11671	6.2
149.09618	2.3
151.11153	20.7
157.06499	0.7
157.10100	5.8
161.09590	1.1
163.11163	1.0
165.12708	1.0
169.12231	2.9
175.11159	5.0
179.10605	0.9
184.07304	11.7
185.05910	0.5
187.05998	0.9
187.07578	0.7
193.12210	17.2
211.13257	31.0
212.13544	0.9
213.05502	0.5
214.17924	3.2
215.12730	1.5
223.16139	0.5
224.33475	0.4
229.07085	0.5
231.06482	4.0
249.14600	0.5
250.71831	0.4
253.14311	100.0
254.14583	2.5
255.06427	0.7
267.15891	6.4
268.16132	0.7
271.15350	21.4
273.07532	0.7
285.16922	18.8
287.05441	1.5
393.12164	0.7
438.03979	0.4
445.25751	6.5
462.29303	0.5
463.26822	17.3
464.27289	0.8
481.27911	58.6
482.28278	2.7
604.73425	0.5
678.36536	1.1
679.33020	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	678.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.1
56.05025	0.6
57.03424	0.1
58.06611	0.5
59.07398	0.2
60.08152	6.2
67.05489	0.3
69.07074	0.1
69.42200	0.3
69.42624	0.4
70.06577	0.2
71.04960	0.1
71.07361	2.9
79.05480	0.2
81.03391	0.2
81.07040	0.3
83.04942	0.1
83.08595	0.1
85.02892	0.2
86.09689	30.9
87.10024	0.3
91.05464	0.4
93.07025	0.2
93.90600	0.1
95.04919	0.1
95.08591	0.2
98.20731	0.1
98.98441	2.4
104.10027	0.2
104.10726	2.6
105.07036	0.2
106.83691	0.1
107.08593	0.1
109.10122	0.1
119.08575	0.2
121.06470	0.1
121.10123	0.1
123.07934	0.1
124.99980	20.7
127.03972	0.1
133.10101	0.2
137.05945	0.1
143.01012	0.2
146.84259	0.1
147.11766	0.1
149.09547	0.1
184.07304	100.0
185.07643	0.8
193.12267	0.1
230.45322	0.1
239.11595	0.1
348.35004	0.1
404.74557	0.1
450.22171	0.2
468.23514	0.2
536.13007	0.1
660.35120	0.3
678.36017	12.7
679.36292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17311	0.9
53.03923	3.0
53.58836	1.0
55.01855	1.5
55.05499	13.4
57.03429	7.5
57.07054	3.5
57.38834	0.8
61.02913	17.4
65.03930	2.1
67.05492	82.8
68.05807	1.6
69.03407	3.5
69.07054	15.7
69.50106	4.6
69.50540	4.1
71.04953	2.7
71.08599	2.0
73.02901	7.5
73.06546	1.0
75.04472	1.1
79.05478	44.0
80.03329	0.9
81.03403	2.7
81.07040	97.7
82.07379	2.0
83.04962	2.5
83.08603	9.8
85.02888	19.3
85.06519	3.4
91.03388	1.6
91.03936	21.4
91.05463	26.1
93.07025	61.1
94.06671	0.9
94.07320	1.0
95.04953	4.4
95.08588	72.2
96.08910	1.1
96.68537	0.9
97.02857	11.9
97.06502	3.4
97.10147	4.9
99.04398	1.6
99.08070	2.7
101.02317	1.3
103.03938	1.2
105.07011	18.1
107.08575	40.1
109.06463	2.1
109.10136	41.1
110.10484	1.0
111.08053	2.5
111.11716	2.2
113.09589	1.6
115.03888	1.5
117.07001	11.0
119.08560	19.2
121.10120	38.8
123.08037	2.0
123.11687	22.0
125.09610	2.6
127.03887	6.0
129.42609	1.0
131.08548	20.6
133.10112	18.0
134.10443	1.1
135.08038	1.9
135.10666	2.0
135.11661	30.6
137.09621	1.9
137.13205	7.5
139.11176	2.3
143.08536	1.4
145.04944	9.3
145.10098	15.8
147.11639	12.0
149.09517	1.4
149.12029	1.4
149.13217	23.2
151.11162	3.0
151.14810	3.2
151.44330	1.1
153.12703	2.4
156.06180	0.9
157.10068	1.2
159.11649	15.5
161.13214	12.9
163.05972	13.8
163.14796	15.9
165.12697	2.7
173.13234	17.7
175.14796	4.3
177.12683	2.3
177.16359	7.5
179.14282	3.0
187.14804	9.5
191.14276	2.7
195.13763	1.4
201.16324	2.9
205.15787	2.1
215.17975	1.6
219.17432	1.9
233.22635	2.9
243.21034	37.2
244.21536	0.9
261.22092	100.0
262.22357	3.1
263.23602	2.7
279.23203	5.1
317.24615	1.2
335.25714	34.6
336.26022	2.1
353.26794	44.9
353.38498	1.0
354.27084	1.4
461.28738	1.1
463.29736	1.5
479.29736	2.6
497.31134	7.5
601.51074	1.2
677.34802	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	677.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.05503	4.2
57.07065	2.5
64.55798	0.9
67.05495	7.6
69.03420	2.5
69.07061	16.7
71.08614	1.3
71.22131	0.9
71.62338	1.7
73.02891	2.2
79.05488	5.4
81.03403	3.4
81.05756	1.1
81.06570	2.0
81.07047	35.6
82.06575	1.3
83.04984	1.2
83.08603	4.1
85.02888	2.5
85.06538	4.7
87.38397	0.9
91.05469	4.4
93.07040	11.7
94.06528	4.8
95.04950	2.7
95.07352	2.9
95.08592	21.7
96.08131	5.0
97.02876	1.7
97.06522	3.9
97.10155	2.8
99.08075	4.7
105.07032	4.7
106.06548	1.3
107.08567	10.1
108.04475	1.6
108.08102	11.0
109.02868	2.3
109.06529	1.8
109.10146	19.0
110.09661	9.3
111.08076	3.1
111.11698	4.1
113.09575	1.4
116.04880	1.2
119.08579	2.3
120.04446	2.8
120.08079	9.6
121.06504	1.9
121.10133	7.2
122.06026	4.3
123.11688	9.6
124.07593	6.0
125.09615	2.6
127.03912	3.5
129.09093	4.0
131.04909	1.4
131.08565	1.6
133.10114	2.2
134.05992	2.5
135.11668	5.7
136.07545	7.9
137.05968	4.2
137.13240	9.4
138.09126	11.2
139.11139	1.3
140.04648	2.1
141.12746	1.0
144.04466	4.0
146.06003	5.2
147.11679	3.2
148.07582	4.9
149.05888	1.1
149.13235	10.6
152.07019	1.4
153.01804	31.4
153.12671	1.2
155.07068	5.0
155.14301	5.4
160.03886	1.7
160.07585	1.4
161.13193	1.2
162.05524	3.3
163.14799	3.2
164.07051	2.4
165.09023	1.3
165.12692	1.7
166.08606	11.3
167.07037	1.7
167.14325	1.0
169.12338	1.4
171.02873	3.1
171.11551	1.0
172.03920	16.6
174.05505	2.0
175.11227	1.4
176.07092	4.3
177.16399	1.2
180.97076	0.9
181.04932	6.6
182.05244	2.2
187.07390	1.1
190.04962	14.7
199.08536	1.2
203.17877	1.2
204.06529	27.1
205.19505	11.4
209.08090	1.3
210.08521	1.2
211.08679	1.9
212.09380	1.7
213.10246	3.7
215.11594	2.3
217.19478	1.3
223.08704	1.3
223.20491	6.1
225.10176	2.1
226.08699	1.8
226.11046	1.9
227.09166	11.5
227.11472	1.9
228.09511	6.3
229.09755	1.1
236.09431	1.8
237.10245	3.3
238.10847	1.4
239.11888	1.5
241.09673	2.8
241.21625	5.2
243.11237	9.2
249.10213	1.1
253.09741	2.0
253.14339	1.5
255.11325	2.5
257.12894	1.6
261.25836	1.1
264.08917	2.6
265.09915	1.2
266.10651	1.4
269.09094	2.9
270.09790	1.0
271.10703	3.6
273.12305	4.6
273.25748	1.8
277.09616	1.2
279.11212	3.5
279.26770	1.8
281.09021	1.3
283.10718	4.0
284.11752	1.1
285.12302	20.2
287.10199	5.7
291.26813	8.4
294.95111	1.0
297.06021	1.3
297.12317	7.5
299.13962	3.1
301.11758	2.3
302.12869	2.1
303.13373	18.8
307.10690	1.1
309.12189	1.6
309.27859	14.5
313.11877	1.9
315.06998	11.2
315.13675	1.1
316.11121	1.6
316.14542	1.6
323.10364	4.7
323.13544	1.1
325.11777	25.6
327.13440	2.1
327.28842	6.7
329.11383	1.2
329.15216	1.9
330.12335	2.4
339.13626	2.1
340.14560	1.2
343.12845	6.7
344.13913	3.0
345.29974	3.3
346.15445	1.2
354.12555	1.5
355.13126	1.2
357.14450	11.4
358.15500	2.3
368.14026	1.2
370.11688	1.4
371.12604	2.3
372.13281	3.6
373.14093	1.7
374.14786	2.1
376.16525	1.7
379.17429	1.2
385.14325	2.4
386.15073	6.9
387.15778	2.5
392.16071	1.2
397.14316	1.1
400.17010	1.4
401.13397	1.5
402.14200	1.9
404.16077	4.2
406.17883	1.9
410.15070	1.3
412.16412	1.5
413.14590	1.2
414.14420	8.9
415.15158	15.5
416.15833	2.4
418.17566	2.6
420.15744	3.1
428.15808	2.6
430.17682	1.9
432.15579	9.6
432.59003	1.1
444.15640	3.0
446.17148	2.5
456.15662	6.0
462.16553	11.6
464.17938	1.3
474.16568	29.8
476.18021	1.6
488.17654	1.3
494.19308	1.7
506.19348	8.6
579.08099	1.1
581.23456	1.2
583.25110	1.6
585.23346	6.0
599.25000	2.2
609.23419	9.3
627.24451	100.0
628.24524	3.5
630.57220	1.1
641.25671	2.4
645.25183	1.6
659.26624	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96850	0.4
52.54301	0.4
53.03934	1.1
55.01868	1.4
55.05257	0.5
55.05506	6.6
57.03173	0.8
57.03428	7.0
57.07057	1.3
60.77836	0.4
61.02919	2.0
65.03929	1.2
66.04716	0.4
66.57310	0.4
67.05492	28.8
67.98548	0.5
69.03403	1.0
69.07058	12.2
71.04985	2.5
73.02897	0.8
73.06525	0.5
79.05479	14.5
81.03426	1.0
81.07040	56.0
82.07384	0.7
83.04967	4.2
83.08604	8.1
85.02888	1.9
85.06529	3.4
91.03970	0.6
91.05466	12.7
93.07027	24.4
94.07363	0.6
95.04935	2.3
95.08585	11.3
96.08853	0.4
97.02911	0.7
97.06509	5.7
97.10158	1.0
99.04476	0.4
99.08079	2.7
100.23013	0.4
101.06010	0.7
105.07009	14.2
107.08576	15.0
107.97585	0.4
109.06513	2.6
109.10168	1.6
111.08054	2.9
111.11697	0.7
113.06026	1.0
113.09622	0.6
117.06976	3.3
119.08562	11.5
121.06448	0.5
121.10120	15.0
123.08051	1.7
123.11678	14.5
125.09618	0.5
125.57281	0.4
127.07536	1.8
129.06973	0.7
131.08537	3.1
133.10071	3.2
135.08038	0.9
135.11664	3.6
139.11174	0.7
147.11658	27.9
149.13231	13.9
150.13564	0.5
157.10118	0.9
159.11642	4.9
165.12721	11.3
175.11156	0.6
177.12737	2.5
183.13811	1.2
193.12271	0.7
195.13788	5.5
200.27731	0.4
213.14845	1.8
229.14333	1.3
251.16345	0.4
267.15875	33.5
268.16309	1.3
269.17426	48.0
270.17834	1.1
285.16913	22.7
394.94415	0.4
426.15256	0.5
479.29941	100.0
480.30283	5.1
504.01218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18021	0.7
53.03927	2.3
55.01861	2.0
55.05258	1.0
55.05501	11.3
57.03428	12.0
57.07050	1.0
60.03225	0.7
60.22256	0.7
61.02908	2.4
65.03919	1.6
65.72070	0.7
67.05494	32.7
69.03405	3.2
69.07058	11.7
69.55204	4.9
70.07380	0.7
71.04965	3.3
73.02877	1.0
79.05482	24.1
81.03407	35.0
81.07044	45.5
83.04970	9.8
83.08607	19.4
85.02407	1.2
85.02895	13.7
85.06519	2.4
91.03963	0.9
91.05464	21.4
93.07028	35.9
95.04955	16.0
95.08584	13.2
97.02348	0.6
97.02855	3.6
97.06523	7.9
97.10126	2.4
98.21550	1.3
99.04477	0.6
99.08057	2.2
105.07012	14.6
107.04925	3.1
107.08579	17.3
109.06487	3.1
109.10124	2.9
111.04418	1.7
111.07446	0.9
111.08072	8.6
113.05946	0.9
117.07001	4.5
119.08557	11.3
121.06501	1.0
121.10132	14.3
123.08016	2.0
123.11724	1.9
125.09657	1.4
129.07002	6.1
131.08543	11.3
133.06459	1.5
133.10100	9.4
135.08009	1.8
135.11653	4.1
137.09592	1.0
139.11160	0.8
140.40273	0.7
142.07811	0.8
147.08011	1.2
147.11667	8.8
149.09608	3.4
149.13239	14.7
151.11115	0.7
157.10107	8.1
159.11668	6.7
165.12732	1.2
175.11134	8.2
177.12729	3.1
190.74072	0.6
193.12218	25.4
195.13774	4.7
198.20667	0.7
198.36697	0.7
211.13268	35.7
212.13716	0.8
213.14864	0.9
213.74951	0.7
232.54207	0.7
249.14934	1.1
267.15872	25.4
268.16345	1.3
269.17435	69.7
270.17816	2.3
285.16928	29.7
286.17200	1.3
435.27298	1.1
442.44617	0.7
443.27994	0.8
461.28931	56.8
462.29236	2.9
479.29980	100.0
480.30127	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	674.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32751	0.5
53.03857	1.5
53.04081	0.7
54.18253	0.5
55.01770	3.1
55.05405	8.8
55.05707	2.5
56.51363	0.6
57.03331	3.2
59.04917	0.8
61.02813	3.2
62.54391	0.6
65.03860	0.6
67.05387	18.9
67.05788	3.5
67.05995	0.8
67.57419	0.5
69.03307	2.4
69.06946	5.8
69.07349	1.1
69.31840	2.0
69.32262	3.6
71.04874	2.5
73.02790	1.4
79.05363	16.1
79.05876	2.1
81.03290	7.8
81.03801	0.7
81.06925	20.8
81.07455	2.7
83.01247	0.7
83.04854	6.6
83.05380	0.7
83.08483	6.2
84.73763	0.5
85.02765	4.3
85.06433	1.5
86.09590	0.9
87.04359	0.6
91.03851	0.9
91.05340	15.1
91.05968	1.3
93.06904	16.9
93.07535	1.8
95.04826	11.3
95.05480	1.1
95.08465	9.1
97.02744	2.9
97.06388	3.8
97.10028	9.5
97.10692	0.7
99.04360	0.8
99.07988	0.7
103.05372	0.9
105.06879	12.4
106.07227	0.6
107.04800	5.2
107.08441	14.6
107.09245	1.4
109.02759	0.8
109.06493	4.1
109.10004	9.3
111.04287	4.6
111.08056	2.6
115.05302	0.8
117.07008	5.5
119.04858	0.8
119.08570	7.2
121.06341	4.0
121.10114	5.9
123.04287	1.1
123.08056	2.6
123.11543	2.0
123.12376	0.6
124.99922	0.6
125.05897	0.9
125.09605	8.4
127.03786	1.0
129.05371	0.6
129.06978	4.4
131.04796	1.0
131.08545	8.0
133.06477	2.6
133.10118	12.9
135.04282	0.6
135.08029	3.6
135.11678	5.8
137.05812	1.5
137.09421	1.7
139.07373	0.6
141.06798	0.8
143.08551	3.3
145.06487	3.0
145.10075	6.5
147.04210	0.7
147.08057	3.2
147.11685	2.9
149.09456	2.4
149.13266	3.0
151.07394	0.8
151.11174	3.7
153.08954	2.4
153.12723	3.1
155.08565	2.5
157.06387	0.9
157.10115	3.3
159.07884	1.9
159.11650	3.1
161.05853	1.1
161.09451	2.0
161.13193	0.7
163.11147	8.0
167.06860	0.8
169.09947	1.7
171.07889	1.2
171.11525	2.2
173.09605	2.6
173.11647	0.9
173.13100	1.8
175.07431	0.7
175.10991	1.8
177.12671	1.3
179.10678	0.6
181.12234	2.6
183.11594	1.0
184.07158	2.0
185.09438	0.7
185.13092	1.5
187.11099	0.6
187.14673	1.7
189.09149	0.7
189.11047	3.8
189.12616	1.4
191.10672	2.6
193.12193	3.7
195.11613	1.1
195.13605	1.2
197.09467	0.6
197.13058	1.4
199.11011	2.1
203.85640	0.5
205.12035	0.9
205.15759	1.1
207.13638	1.4
209.11525	1.3
209.13303	0.8
211.11075	0.6
211.13060	0.7
213.12653	1.1
215.14148	1.5
223.13103	0.8
227.12663	3.6
231.13678	1.0
233.15315	3.5
237.12619	1.0
245.15341	0.8
259.13077	0.6
259.16632	0.5
267.15771	2.1
269.17487	5.8
273.14767	1.5
277.14792	0.5
283.15320	7.8
287.16272	0.9
329.24835	0.8
339.23102	1.9
349.21463	2.0
357.24033	3.2
367.22620	8.3
375.25174	0.7
385.23663	20.4
403.24713	6.0
431.27777	1.3
441.26294	2.3
449.28897	1.3
459.27344	100.0
460.27762	3.0
477.28424	90.0
478.28799	2.2
495.29395	6.4
639.33435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.2
55.05256	0.8
55.05503	10.9
57.03428	12.7
57.07065	1.6
59.04998	1.4
61.02924	4.8
65.03923	0.8
67.05493	25.3
69.03416	2.5
69.07060	8.4
70.87817	1.4
71.04973	3.1
73.02901	1.4
79.05481	22.9
81.03405	49.7
81.07043	35.4
83.01333	2.8
83.04967	10.3
83.08606	18.2
85.02892	10.7
85.06537	2.3
91.03951	1.5
91.05468	20.1
93.07027	28.2
93.07621	1.4
95.04959	16.3
95.08597	10.2
97.02869	4.6
97.06515	4.7
97.10161	2.9
98.21591	0.6
99.04444	2.0
99.08081	1.4
105.06377	0.9
105.07019	11.8
105.24950	0.6
105.80151	0.6
107.04939	6.6
107.08580	15.0
109.06503	6.9
109.10155	2.7
111.04436	2.0
111.08050	6.9
115.05400	1.0
117.06990	5.1
119.04883	0.8
119.08565	12.6
119.09348	1.1
121.06503	3.9
121.10127	10.0
123.08036	5.5
123.11684	2.1
125.06041	0.7
125.09631	1.8
129.06987	6.7
130.07831	1.2
131.08551	8.6
133.06468	2.3
133.10114	7.8
135.08017	1.2
135.11658	7.2
137.09607	2.1
142.07707	1.0
143.08531	1.2
145.06483	2.2
145.10097	7.4
147.08040	4.1
147.11671	6.8
148.77988	0.6
149.09579	4.7
149.13213	4.1
151.11189	1.3
153.12738	0.7
155.08537	1.4
157.10109	6.8
157.11136	0.8
159.11644	3.7
163.11142	12.3
165.12802	1.8
173.09639	2.0
175.11171	6.5
177.12794	0.8
191.10645	1.0
193.04906	0.8
193.12216	17.1
193.13849	1.2
195.08217	0.7
195.11911	0.6
195.13750	3.1
209.11763	2.6
211.13260	8.4
227.12723	1.4
235.13237	1.0
249.14795	1.2
267.15875	56.2
268.16251	1.5
269.17413	23.6
273.14850	1.9
283.15344	35.6
284.15665	1.2
285.16934	10.3
316.83820	0.7
341.21054	1.0
349.21649	2.5
367.22437	5.4
385.23773	4.7
385.68735	0.8
403.24774	1.6
405.24744	0.8
415.24664	0.6
433.25751	5.7
441.26385	2.9
459.27347	27.9
460.27756	1.2
477.28415	100.0
478.28842	4.2
593.65216	0.7
674.34875	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01854	1.6
55.05507	2.3
57.03427	1.2
63.85079	1.0
67.05505	4.7
69.03417	5.4
69.07063	4.6
69.66085	0.9
69.66441	7.6
71.04970	3.3
71.10102	0.9
79.05474	5.4
81.03401	7.8
81.07047	11.4
83.04958	4.9
83.08608	2.7
85.02895	8.2
85.06509	2.9
91.05481	7.4
93.07034	16.2
95.04950	3.6
95.08588	8.7
96.87241	0.8
97.02888	2.0
97.06505	6.5
98.90160	1.0
99.04449	5.3
105.07016	16.8
107.04966	1.8
107.08582	10.9
109.02865	9.1
109.06516	8.3
109.10142	3.5
111.04475	1.7
111.08057	3.5
117.07004	3.1
119.08573	17.4
121.06492	13.8
121.10091	5.5
123.08031	3.4
123.10896	0.9
123.11659	5.5
125.05979	4.6
127.03890	12.0
127.07526	3.4
129.06963	2.0
130.07744	1.9
131.08554	4.3
133.06483	9.8
133.10121	5.4
135.04416	7.2
135.08038	4.7
135.11642	1.3
136.07578	1.2
137.05930	2.4
137.09489	1.6
139.07512	4.9
142.07800	1.1
143.07031	3.8
143.08554	2.6
145.04903	1.2
145.10104	19.5
147.08031	3.2
147.11671	35.3
148.11996	1.3
149.09570	1.3
149.13228	1.2
151.03922	2.1
151.07550	1.6
153.01810	1.8
153.05405	1.1
155.06940	1.0
155.08635	0.9
156.09288	5.0
157.08586	1.5
157.10069	4.0
159.08044	2.7
159.11676	1.9
161.09622	1.8
161.13217	3.6
163.04016	1.1
163.11192	1.6
165.12735	8.7
167.07068	1.2
169.12239	3.7
171.11658	8.3
172.38020	1.0
173.09665	1.4
175.11159	9.8
181.10156	1.2
187.06006	3.6
189.12724	100.0
190.13055	3.1
193.12241	10.2
199.11183	6.5
205.07085	1.7
207.13782	13.2
209.15372	1.9
211.07491	1.1
211.13242	8.3
217.12201	21.2
225.14821	1.4
229.14421	1.6
235.13246	28.1
251.12971	1.1
253.14325	38.1
254.14662	1.6
267.15964	1.5
271.15405	9.6
289.16357	4.2
313.16324	2.8
331.17508	1.3
343.15253	1.9
345.27649	1.0
346.99619	1.3
361.16336	5.3
378.60410	1.2
379.17496	12.6
397.18500	22.1
415.19662	18.6
416.19247	1.1
433.20367	5.2
459.27316	1.1
531.42126	1.0
615.26099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.6
55.01868	2.7
55.05503	8.7
55.39420	0.4
57.03432	8.7
57.07040	1.2
59.04970	1.7
59.18860	0.4
61.02915	2.2
65.03912	1.1
67.05495	25.0
69.03395	1.2
69.07057	9.8
70.06571	0.7
71.01309	0.7
71.04975	3.7
73.02877	1.4
79.05484	17.3
81.03413	6.6
81.07047	37.5
82.03683	0.4
82.07348	0.6
83.01341	3.5
83.04972	8.3
83.08611	9.4
85.02890	3.8
85.06534	2.0
87.72205	0.3
88.07601	0.4
88.94866	0.4
91.03915	1.2
91.05469	10.2
93.07030	30.2
95.04952	4.6
95.08590	10.2
95.09182	0.3
97.02872	2.2
97.05904	0.4
97.06511	6.4
97.10145	1.0
98.21478	1.3
99.04416	1.6
99.08072	1.4
105.07022	6.3
107.04932	4.7
107.08579	17.9
109.06512	3.8
109.10122	2.4
111.04387	1.3
111.08072	3.9
113.05975	0.4
117.07006	5.9
119.08557	4.9
121.06517	2.1
121.09310	0.6
121.10127	11.1
123.08053	4.2
123.11662	1.4
125.06004	0.9
125.09562	0.8
127.03886	0.4
129.06955	0.9
131.08553	4.3
133.10106	3.8
135.08014	1.5
135.11668	8.4
137.09564	1.0
139.07526	0.4
139.11137	1.1
145.10100	7.0
147.08020	0.9
147.11649	1.3
149.02309	2.0
149.03339	0.5
149.09576	1.0
149.13235	13.1
151.11209	0.5
153.12711	1.4
155.08517	0.6
159.11678	5.7
163.11163	10.3
165.88312	0.4
173.09601	1.4
177.12724	2.7
181.12231	1.2
191.10594	1.0
193.04932	1.4
195.13771	5.9
209.11708	2.5
211.18690	0.4
213.14803	1.2
227.12784	2.9
228.23149	1.7
245.56512	0.5
265.14282	1.4
267.15826	1.1
268.16129	0.4
269.17444	54.5
270.17770	1.4
283.15356	35.7
284.15613	0.7
285.16699	0.6
290.65872	0.4
385.09079	0.9
429.11957	1.0
459.27512	2.5
477.28415	100.0
478.28644	3.5
480.30313	1.1
495.29117	0.6
674.35187	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	673.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.3
55.01842	8.2
55.05503	31.9
57.03426	6.8
65.03917	6.4
67.05494	92.5
69.03072	3.4
69.03422	42.0
69.06767	2.7
69.07058	30.9
71.04962	5.3
79.05055	5.3
79.05482	67.9
81.03412	34.0
81.06573	6.3
81.07043	100.0
83.04984	13.9
83.08591	20.1
85.02873	4.8
85.06524	7.5
86.09667	3.8
91.05468	60.4
92.86374	2.5
93.06461	6.0
93.07026	76.0
95.04958	20.1
95.08592	57.0
97.02869	5.5
97.06543	13.8
97.10163	6.8
98.98428	3.4
99.04404	5.0
103.94528	2.5
105.07027	44.2
107.04924	11.9
107.08576	43.7
109.02818	5.5
109.06476	6.5
109.10146	20.5
111.04424	7.8
111.08072	6.2
115.05431	5.0
117.06998	28.4
119.08561	28.3
119.85261	2.6
121.06482	6.8
121.10119	30.3
122.83850	2.8
123.08022	7.1
123.11679	7.7
125.09594	3.3
128.06158	3.0
129.06990	7.9
131.04901	4.2
131.08557	33.5
133.06467	6.1
133.10106	33.6
135.08041	4.7
135.11684	16.2
137.09589	4.6
139.33095	2.7
141.06982	6.0
142.07814	3.0
143.08525	12.3
145.06435	4.5
145.10080	19.9
147.08086	4.5
147.11687	19.4
149.09578	5.6
149.13205	13.1
155.08510	6.4
157.10080	7.8
159.11679	25.2
161.09566	5.1
161.13214	8.4
165.12808	5.2
169.10059	4.9
171.08040	3.2
171.11681	7.1
173.09605	3.4
173.13235	11.0
175.11157	6.0
177.12735	6.5
179.14229	2.8
184.07303	11.9
185.13188	6.0
187.11113	3.8
187.14703	4.3
189.12668	4.3
195.13770	15.2
199.11156	4.7
199.14774	4.8
209.13451	3.6
215.14148	4.1
225.16295	2.7
229.14020	2.8
239.14009	3.4
245.15150	2.9
259.20551	7.0
260.76920	2.8
261.22031	3.0
269.14951	3.7
269.17404	22.6
275.20056	7.0
285.17017	4.5
298.06827	3.0
301.21555	5.7
315.23282	3.3
319.22702	4.3
339.18073	4.8
345.23816	3.3
351.23022	5.5
369.24133	12.7
387.25122	8.8
389.26663	3.1
395.20621	3.6
405.26498	3.1
423.27850	3.1
443.27740	5.0
451.61389	3.1
461.28943	10.1
501.35925	3.4
503.33575	8.5
637.40442	7.2
655.41583	12.0
673.43048	76.0
674.42944	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	673.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.9
55.01856	4.6
55.05496	28.0
57.03423	7.7
67.05495	76.2
69.03427	39.3
69.07050	27.9
71.04975	7.8
71.25444	4.9
71.63492	7.0
78.13879	5.0
79.05477	51.5
81.03395	32.1
81.07046	100.0
83.04959	9.8
83.08598	24.7
85.02854	5.0
89.06002	7.0
91.05463	59.4
93.07031	72.8
95.04951	19.0
95.08585	42.7
97.02874	5.7
97.06519	12.1
97.10138	6.2
105.07024	39.2
107.04946	8.7
107.08583	44.4
109.02869	8.4
109.06512	8.5
109.10139	20.3
109.56593	4.2
111.04355	5.8
117.06988	25.3
119.08551	27.4
121.06461	8.2
121.10133	22.9
123.08041	8.6
123.11626	11.5
127.03808	5.3
128.06131	5.2
129.06995	15.0
131.04961	4.7
131.08521	36.6
133.10124	30.8
135.08041	6.1
135.11694	19.2
137.08223	5.7
137.09496	7.5
142.07677	6.0
143.08546	16.6
145.10121	19.6
147.07930	5.2
147.11661	19.0
149.09570	5.1
149.13229	14.7
151.11134	8.0
157.10083	13.8
159.08104	5.3
159.11630	17.3
161.13220	8.6
163.11169	5.6
169.10146	6.7
171.11583	6.9
173.09718	4.9
173.13174	7.5
177.12762	6.4
181.10144	5.9
195.13780	9.7
197.13211	6.3
198.33716	5.4
201.12877	6.8
213.14928	6.0
246.80898	4.7
269.17422	18.7
291.19586	5.7
311.47128	5.4
341.24799	5.1
351.23380	10.8
369.24191	11.3
387.24982	7.8
413.34656	6.1
443.27963	8.3
461.29034	12.8
481.21118	5.6
500.02878	5.9
501.35547	8.4
637.41156	9.1
655.42249	13.8
673.43182	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.3
55.01862	5.7
55.05503	31.7
57.03435	8.6
57.07069	1.7
57.58879	1.4
65.03933	3.3
67.05495	88.2
69.03069	2.8
69.03423	40.7
69.07058	24.3
71.04973	6.1
77.03896	1.5
79.05482	67.4
81.03409	28.6
81.07045	100.0
83.04958	14.8
83.08614	18.1
85.02911	4.4
85.06538	5.7
91.05470	58.8
93.07030	73.0
95.04957	20.0
95.08593	48.9
97.02870	8.4
97.06537	11.7
97.10155	4.3
99.04453	2.4
99.08078	3.0
103.05481	2.4
105.04492	1.8
105.06303	1.9
105.07009	40.6
107.04939	8.3
107.08579	46.4
107.09281	3.1
109.02879	6.4
109.06499	8.9
109.10132	18.3
111.04411	8.1
111.08074	6.2
113.05981	3.3
115.05445	3.9
117.07001	24.7
119.04964	1.7
119.08568	33.9
121.06493	6.6
121.10126	28.7
123.04388	2.1
123.08078	4.4
123.11699	5.8
125.05956	1.4
125.09623	3.7
127.03912	2.2
129.05482	2.1
129.06982	13.1
131.08556	29.7
133.06511	5.3
133.10103	29.8
133.11055	2.4
135.08049	7.1
135.11671	17.9
137.06041	2.5
137.09613	4.2
139.07556	2.1
141.06979	3.6
142.07787	2.6
143.08516	11.0
145.06490	4.6
145.10100	17.4
147.08073	4.1
147.11673	16.8
149.09616	4.9
149.13237	17.2
151.07515	2.2
151.11153	3.2
155.08585	6.6
156.09329	1.8
156.16345	1.4
157.06454	2.4
157.10080	9.3
159.08054	3.1
159.11678	17.0
161.09627	6.4
161.13226	8.5
163.11163	4.6
163.14781	1.5
165.12747	4.2
167.08585	4.0
169.10153	6.3
171.08051	4.2
171.11700	9.3
173.09604	4.0
173.13171	8.4
175.11223	3.4
175.14804	1.6
177.12761	6.6
181.10138	5.1
183.11696	6.6
184.07361	3.0
185.13290	4.5
187.11235	3.9
187.14758	2.7
189.12810	3.8
189.16231	1.6
191.10709	2.7
195.11896	3.3
195.13834	14.5
197.13318	5.3
199.11232	3.3
199.14867	4.5
201.12697	1.9
209.13345	2.7
211.11256	2.2
211.14868	3.3
213.12807	2.9
213.14735	2.7
213.16504	2.0
219.13908	2.2
223.14888	1.8
225.16422	1.7
231.28056	1.7
237.16353	2.3
258.94247	1.5
259.20624	2.6
261.22141	2.8
267.15933	2.4
269.17447	24.3
271.17245	1.5
271.20547	2.1
275.20087	4.3
277.21738	3.7
283.17084	2.0
283.20319	3.1
301.21677	5.6
303.23135	3.1
313.21576	2.3
319.22775	2.0
321.16916	2.3
323.23666	2.4
327.23352	3.8
332.85706	1.6
335.25925	1.5
339.18185	3.8
339.23291	1.6
339.28772	1.7
341.24725	3.4
351.23083	7.5
353.24805	2.8
357.24359	1.9
369.24225	14.3
371.25824	3.1
377.19629	2.7
387.25366	8.9
395.20691	4.8
405.26300	3.2
425.26678	2.4
443.27905	4.9
461.28647	11.3
529.38855	3.7
535.34351	1.8
545.37579	1.8
561.38110	1.9
581.38660	2.2
583.40033	1.8
595.40607	1.9
599.39349	2.6
637.41199	9.6
655.42035	14.5
673.43060	80.8
674.43610	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	673.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
54.54624	1.1
55.01866	4.9
55.05497	6.8
57.03418	2.4
57.07065	2.0
59.04991	2.2
61.02923	2.9
65.03907	1.7
65.43310	1.1
67.05495	13.5
69.03422	16.3
69.04046	1.1
69.07063	13.3
71.04991	6.9
71.62125	1.4
71.62534	2.2
73.02928	1.9
75.41011	1.2
79.05480	17.0
81.03417	20.1
81.07043	31.7
83.01311	1.2
83.04965	16.8
83.08625	3.0
85.02901	12.1
85.06545	7.9
86.09702	1.7
91.05469	17.0
93.07034	44.3
95.04964	15.9
95.08600	19.5
97.02886	9.1
97.06521	22.0
97.07127	2.0
99.04449	15.1
99.08086	1.4
101.05997	2.5
103.03930	1.5
103.05479	2.8
105.07015	33.8
106.07345	1.3
107.04910	5.9
107.08579	29.6
109.02863	22.8
109.06508	31.1
109.10135	13.9
111.04427	4.4
111.08064	15.3
113.05996	5.6
114.12616	1.2
115.05406	1.6
117.07037	4.3
119.04905	1.9
119.08574	24.1
121.02875	1.4
121.06490	50.6
121.07368	2.9
121.10126	11.7
123.04422	4.8
123.08044	10.2
123.11713	7.3
125.02393	1.5
125.05974	12.1
125.09595	1.4
127.03901	26.6
127.07532	11.1
128.06273	1.8
129.07002	3.5
131.04921	2.3
131.08531	6.9
133.06485	4.7
133.10120	16.9
135.04407	6.1
135.08035	21.9
135.11652	4.1
137.05957	15.2
137.09613	11.4
137.13211	3.0
139.07510	13.3
141.05441	2.3
142.07774	2.6
143.07025	11.4
143.08551	5.9
145.04915	2.4
145.06476	2.6
145.10126	13.0
146.07283	1.7
147.04356	3.0
147.08029	4.4
147.11671	44.2
149.05963	10.5
149.08504	0.9
149.09599	22.1
149.13223	4.1
151.02824	1.4
151.03888	7.6
151.07515	5.8
151.11169	5.7
153.01797	10.3
153.09077	3.4
154.02191	1.5
155.07011	1.8
155.08537	2.1
156.09320	2.0
157.06503	2.0
157.08606	6.5
157.10130	14.7
159.06514	2.3
159.07938	3.1
159.11694	4.5
161.05977	3.6
161.09590	8.5
161.13229	7.6
163.07529	3.1
163.11168	8.6
163.14766	1.7
165.05490	1.3
165.09103	10.8
165.12733	20.1
167.06996	10.9
169.10146	1.9
169.12245	8.2
171.07996	1.7
171.10239	2.0
171.11649	13.1
173.09601	5.0
173.13210	2.3
175.07611	2.6
175.11157	30.1
177.09213	1.5
177.12715	6.2
179.07085	1.8
179.10666	10.8
181.04979	2.6
181.08592	2.6
181.10117	3.4
183.13754	1.5
187.06027	10.5
187.11133	6.2
189.09135	3.4
189.12695	16.4
191.07133	1.5
191.10641	2.0
191.14259	1.9
193.08588	4.1
193.12242	29.8
193.13867	1.0
194.12741	1.4
199.11151	17.8
201.09007	1.8
203.10667	1.9
205.07047	4.7
205.12207	20.9
207.13791	12.5
209.11638	1.4
209.15334	3.2
211.13229	17.0
215.10660	3.1
217.12219	55.4
218.12616	2.0
219.10088	2.1
223.13281	40.8
229.14267	8.0
233.11766	3.6
235.13269	76.3
236.13605	1.7
241.12173	1.4
241.14438	3.6
249.11153	1.5
251.12820	3.9
253.14325	100.0
254.14674	2.1
271.15363	14.5
273.03918	1.6
289.16449	4.5
295.15518	1.6
299.08972	1.5
301.03442	1.7
313.16412	4.0
315.07098	1.5
319.15393	2.6
325.14288	1.6
333.16754	1.5
337.16531	1.4
343.15396	4.3
361.16360	8.1
379.17581	13.4
391.98517	1.7
395.17062	2.0
397.18512	22.1
415.19547	8.3
511.12210	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	673.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.1
53.03941	4.6
55.01865	10.4
55.05502	21.5
57.03429	20.2
57.07056	3.4
59.04992	2.1
61.02915	1.5
65.03934	2.4
67.05498	63.8
68.27318	0.8
69.03073	2.1
69.03420	25.8
69.07061	12.8
70.93378	1.9
71.01330	2.3
71.04689	0.9
71.04990	9.0
71.08589	0.9
73.02911	19.4
73.89761	0.8
77.03892	1.0
78.04729	1.1
79.05484	32.0
81.03409	66.9
81.07047	41.1
82.03704	1.5
82.07380	1.2
83.04973	22.3
83.08610	20.4
85.02896	37.9
85.06532	4.9
87.04461	2.3
88.52118	1.0
91.03934	1.5
91.05473	32.0
93.07034	20.5
94.07300	1.2
95.04959	28.7
95.08595	19.1
97.02880	18.1
97.06525	7.5
97.10176	6.5
99.04425	5.5
99.08070	2.5
101.02369	3.1
103.03941	2.0
103.05401	1.2
105.07021	20.4
107.04947	18.5
107.08584	15.1
109.02897	6.7
109.06528	6.0
109.10146	49.5
110.10458	1.6
111.04432	11.2
111.08080	11.6
113.05974	2.1
115.03921	2.5
115.05421	1.6
116.04693	2.4
117.06998	3.6
119.04921	1.7
119.08570	22.4
121.06462	4.8
121.10127	14.0
123.04405	3.8
123.08068	3.1
123.11716	6.3
125.05950	2.4
125.09615	7.1
127.03905	8.7
127.11185	2.4
128.06210	1.9
129.05486	7.6
129.06989	8.3
131.03398	5.2
131.04887	1.4
131.08559	12.1
133.06450	3.7
133.10114	12.5
135.04398	9.6
135.08017	2.4
135.11674	5.5
137.05965	2.8
137.09573	5.4
137.13254	1.3
139.03862	1.8
139.07484	1.2
139.11176	1.7
141.07018	1.6
142.07748	2.4
143.06987	1.4
143.08598	1.1
143.10620	1.3
145.04916	2.5
145.06439	1.2
145.10114	6.7
147.04419	1.3
147.08028	4.4
147.11681	16.0
149.05954	1.2
149.09589	8.5
149.13185	2.4
151.07625	1.6
151.11121	2.4
153.01804	1.8
153.05446	4.6
153.09064	1.7
153.12704	1.6
155.10666	3.2
157.08611	2.9
157.10120	12.1
159.11685	3.2
161.09659	2.0
161.13263	1.2
163.11131	5.3
165.09082	2.5
165.12735	3.2
167.07024	1.3
171.06519	2.0
171.11598	1.5
173.04420	3.4
173.09538	1.8
173.11786	11.4
173.13162	1.8
175.11177	14.9
175.14838	1.5
177.12735	1.4
181.05011	2.6
181.12222	3.0
185.11687	1.6
189.11284	1.7
191.10693	1.9
193.12219	35.6
194.12535	1.1
199.05956	2.4
199.13211	1.8
201.14755	1.2
203.17798	2.1
205.12387	2.1
207.13690	1.3
209.11707	3.3
211.13261	51.4
212.13443	2.3
213.16475	1.2
217.07039	7.7
227.12779	4.2
229.14311	45.7
230.14555	1.4
255.15875	1.2
267.15897	18.8
269.17365	1.1
283.15311	4.3
285.16946	30.2
299.14841	1.1
301.16394	4.3
325.16205	1.2
367.22559	1.5
385.24017	1.8
421.25842	17.0
429.20993	2.5
439.26862	100.0
440.27094	7.3
445.20355	2.2
457.32837	1.0
459.27585	7.7
476.27405	1.3
477.28522	10.5
493.27676	4.7
494.28333	1.7
495.29367	1.8
501.23175	1.1
507.79556	1.0
511.28867	3.6
637.31659	1.2
638.32251	1.6
639.33307	1.4
655.33020	4.0
673.34479	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	672.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.4
55.05505	4.9
57.03436	3.5
57.07067	32.9
61.02915	12.3
67.05493	10.8
69.03424	1.9
69.07055	7.4
70.87608	0.9
71.04969	0.7
71.08619	28.3
73.02909	4.1
75.04471	2.3
79.05483	2.0
81.03407	1.9
81.07044	14.3
83.04967	0.5
83.08604	11.3
85.02890	16.8
85.06532	0.4
85.10165	16.5
89.05994	0.7
91.03942	13.9
91.05463	1.5
92.05790	0.3
93.07025	2.0
95.04923	1.1
95.08592	22.4
96.08900	0.5
97.02879	7.7
97.06504	0.6
97.10155	5.7
99.04428	1.1
99.11694	1.1
103.03822	0.4
103.07577	0.7
105.07013	1.2
107.08564	1.2
109.02859	0.8
109.06474	0.4
109.10137	11.6
111.11726	1.5
113.13264	0.5
115.03918	0.7
117.07042	0.4
119.08554	0.9
121.10106	1.0
123.11681	5.1
125.13232	1.1
127.03902	5.8
131.08516	0.7
133.10104	0.8
135.11603	0.5
137.13211	2.4
139.14771	0.4
145.04926	6.5
145.10138	0.7
147.11673	0.4
151.14761	1.0
163.05991	15.2
165.16341	0.5
184.07256	0.6
203.14137	0.4
208.11971	0.3
221.22592	1.1
226.89670	0.3
239.23656	20.4
240.24156	0.6
257.24704	4.3
298.27277	0.9
302.14871	0.4
313.27307	100.0
314.27655	4.0
331.28366	53.2
332.28769	2.3
362.60284	0.3
475.32504	0.8
553.76361	0.3
636.39740	0.8
654.40961	0.5
672.41675	0.9
680.22363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05505	3.5
57.03432	4.4
57.07067	35.0
59.04981	0.3
61.02919	13.1
65.03931	0.2
67.05496	9.2
69.03435	1.5
69.07060	7.1
70.04334	1.3
71.04974	0.6
71.08621	29.1
73.02907	4.2
75.04474	2.3
77.36633	0.2
79.05478	1.0
80.28411	0.2
81.03421	1.0
81.07046	14.3
83.05003	0.3
83.08607	10.7
85.02893	14.3
85.06544	0.5
85.10168	17.0
89.06019	1.3
91.03942	12.8
93.07059	0.8
95.04968	0.3
95.08594	21.6
96.08926	0.3
97.02879	6.6
97.10160	5.5
98.20770	0.3
99.04461	0.7
99.08070	0.3
99.11739	1.5
101.02401	0.3
101.05936	0.3
103.03905	0.6
103.07570	0.9
105.07051	0.4
107.08578	0.6
109.02864	0.3
109.10142	11.0
111.04438	0.3
111.11727	1.1
113.13266	0.5
115.03931	0.5
121.10139	0.5
123.11694	4.9
125.09620	0.4
125.13272	0.8
127.03889	4.5
127.14875	0.4
131.08669	0.4
131.92186	0.2
133.10109	0.3
135.11613	0.4
137.13216	2.1
137.47623	0.3
139.14815	0.4
145.04939	5.4
145.06000	0.5
149.77568	0.3
151.14821	1.1
163.05997	9.1
165.16379	0.5
179.17850	0.3
182.90210	0.2
204.08798	0.3
221.22639	0.9
239.23657	16.9
240.23944	0.3
249.60883	0.3
257.24713	3.9
282.42822	0.3
298.27405	0.9
313.27313	100.0
314.27692	3.5
331.28369	39.6
332.28775	0.9
401.28812	0.5
409.54315	0.3
457.32263	0.3
475.32541	3.2
637.37286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
53.80851	0.5
55.01850	1.5
55.05258	0.6
55.05502	7.8
57.03424	3.6
57.07045	0.6
61.02904	1.5
63.58415	0.5
65.03925	1.1
65.24786	0.5
66.82999	0.5
67.05495	26.8
68.19751	0.5
69.03392	1.6
69.07060	7.2
69.54448	3.7
69.54852	1.1
71.04975	1.7
73.06537	0.7
79.05479	25.2
81.03406	4.8
81.07042	30.0
82.07377	0.5
83.04968	5.5
83.08614	7.4
84.89030	0.5
85.02887	1.8
85.06530	1.9
86.09659	0.6
91.03935	0.5
91.05467	18.5
93.07028	29.5
95.04945	6.1
95.08590	10.7
97.02891	1.3
97.06514	3.1
97.10140	1.8
99.04449	0.7
99.08064	0.8
103.05372	0.6
105.04433	0.5
105.07013	11.6
107.04944	2.7
107.08572	13.6
109.02842	0.5
109.06483	3.0
109.10149	3.1
111.08046	1.9
113.05865	0.5
116.85648	0.5
117.07001	5.0
119.08551	8.0
121.06488	1.5
121.10122	5.5
121.83173	0.5
123.08035	1.2
123.11679	1.5
125.09595	0.7
127.03893	0.7
127.07491	0.7
129.06995	5.5
131.08577	4.0
133.09222	0.8
133.10127	7.1
135.08057	1.1
135.11652	3.6
143.08553	2.2
145.10088	3.3
147.07991	0.7
147.11658	9.8
148.40720	0.5
149.09601	0.9
149.13231	4.6
151.11180	1.4
159.11638	3.0
161.09647	1.2
161.13197	2.9
163.11235	0.8
171.11656	7.6
177.12746	1.0
184.07336	2.3
189.12646	2.5
193.12318	0.5
195.13757	3.2
207.13771	6.7
269.17416	18.3
281.17410	17.9
475.30484	100.0
476.31033	3.1
554.34509	0.5
619.34460	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
54.56653	0.3
55.01851	1.6
55.05506	6.1
57.03431	4.0
57.07057	0.6
59.04980	0.4
59.43978	0.3
61.02909	0.5
62.46571	0.3
63.72012	0.3
65.03922	0.9
66.10208	0.4
67.05494	25.0
69.03421	0.5
69.07056	7.0
70.22061	1.4
71.04977	1.3
73.06535	0.8
75.20078	0.3
79.05480	26.6
81.03414	3.1
81.07044	28.4
83.04971	5.4
83.08606	5.0
85.02894	0.9
85.06524	1.5
91.04896	0.6
91.05465	17.3
93.07027	31.4
95.04958	6.9
95.08585	11.4
97.02873	0.6
97.06526	3.8
97.10159	1.5
99.04408	0.4
99.08066	1.1
105.06287	0.4
105.07014	11.8
107.04932	2.3
107.08576	12.0
109.06487	2.7
109.10120	2.3
111.08058	1.6
117.07003	3.7
119.08559	7.5
121.06506	1.0
121.10130	6.6
123.08067	2.0
123.11707	0.8
123.36995	0.3
127.07581	0.8
128.06178	0.6
129.06978	4.6
131.08556	3.4
133.10103	4.5
133.26653	0.4
135.08023	0.7
135.11681	2.7
137.09619	0.4
139.11136	0.4
143.08530	3.1
145.01680	0.3
145.10097	3.2
147.08055	0.8
147.11664	11.0
149.09546	0.4
149.13232	8.2
157.51404	0.4
159.11661	3.1
161.09613	1.3
161.13229	3.1
163.11159	0.6
171.11653	7.8
171.13121	0.5
175.30522	0.4
177.12743	2.0
189.12700	2.8
195.13757	2.4
207.13754	8.2
225.14861	0.9
251.16455	0.4
264.96967	0.4
267.15906	0.5
269.17438	21.6
270.17593	0.4
271.13907	0.3
281.17432	20.5
283.15323	0.4
310.32510	0.4
475.30515	100.0
476.30862	3.6
619.34613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.6
53.03937	1.9
53.27750	1.3
55.01860	4.4
55.05493	4.8
57.03427	7.1
59.04991	1.3
61.02913	2.5
63.55138	1.3
65.03240	1.1
67.05489	1.7
69.03424	15.2
69.07061	2.1
69.22401	1.2
69.24692	1.1
71.01344	1.5
71.04983	28.2
71.63121	2.0
73.02907	2.0
75.04453	3.7
77.19667	1.1
79.05463	3.9
81.03415	7.3
81.07027	6.2
83.04975	29.0
85.02892	60.6
87.04445	2.2
88.06461	1.2
91.05496	6.3
93.07026	3.4
95.04961	5.7
95.08590	5.0
96.04502	1.4
97.02883	9.7
97.06522	2.5
99.04440	4.5
103.05461	20.5
105.07011	7.7
107.04942	3.4
107.08558	3.3
109.02882	6.0
109.06499	2.0
109.10128	4.0
111.04424	27.2
111.08112	1.2
115.05407	1.5
117.06993	1.5
119.04921	3.4
119.08547	3.3
121.06522	6.7
121.10143	2.1
123.04427	2.8
123.11685	2.2
124.79277	1.2
125.02394	1.3
127.03931	9.9
128.06253	1.5
129.05460	15.1
129.06966	2.5
130.04141	1.8
131.04912	99.5
132.05272	1.9
133.02817	4.2
133.06480	4.5
133.10130	1.9
135.04420	3.3
135.08035	3.2
137.05957	50.0
138.06308	2.4
143.08553	2.5
145.04945	5.9
145.06451	3.9
147.04405	23.1
147.06499	4.5
147.07936	5.6
149.05966	10.4
149.09601	1.9
150.06729	3.3
151.03899	6.5
151.07564	8.3
153.01775	8.4
153.05461	2.8
157.06451	2.6
159.11679	1.5
161.05969	14.7
162.06737	11.2
163.07524	100.0
164.07889	2.2
165.05457	3.4
165.09113	4.2
165.12724	1.4
167.07024	4.2
171.04332	2.7
171.08025	3.1
173.05971	4.0
175.07529	17.9
177.05363	2.8
179.07008	4.7
185.06001	1.7
187.07503	6.5
189.05405	1.6
189.09091	3.2
191.06998	6.0
193.08586	21.7
197.06023	1.6
199.07527	6.2
201.09172	1.4
203.06992	2.8
205.08554	6.6
207.06503	1.8
208.06575	1.2
215.07002	1.5
217.08582	11.4
223.07544	2.1
229.08531	4.2
235.09634	7.6
241.08577	2.9
247.09581	3.1
253.08620	1.6
253.14529	2.3
255.08493	2.0
259.09564	4.3
267.10034	1.3
271.09647	3.2
277.10754	3.4
279.06915	1.2
283.09793	1.5
285.11130	8.1
295.11789	3.6
297.11179	11.3
299.12595	2.9
303.12213	3.0
307.26273	1.8
309.11124	2.3
311.12540	5.9
315.12189	5.7
317.13763	15.0
323.12726	8.5
327.12106	1.7
329.13849	3.5
339.12189	2.4
340.12622	1.4
341.13870	11.0
347.14883	2.0
353.13828	2.4
359.14777	11.7
371.14972	6.4
383.14948	3.0
395.14883	2.0
409.16464	5.0
413.15857	5.1
421.16757	3.0
425.18179	2.2
427.17447	7.1
439.17554	12.5
457.18387	8.4
476.98895	1.3
572.15198	1.5
672.26727	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01864	1.9
55.05499	1.6
57.03428	6.5
59.04990	0.6
61.02921	1.4
62.75860	0.6
66.55094	0.5
67.05495	0.7
69.03419	7.5
69.07076	0.9
71.04984	48.2
71.08614	1.5
73.02912	2.1
75.04477	3.5
81.03415	1.9
81.07054	1.3
83.04987	6.1
85.02895	65.0
87.04468	1.4
91.05463	2.9
93.07052	1.6
95.04958	2.7
97.02908	4.3
99.04456	1.8
100.11247	0.7
103.03951	0.9
103.05455	16.7
104.05769	0.7
105.07028	2.4
107.04909	1.4
107.08562	1.1
109.02845	1.2
109.06487	0.9
111.04433	12.8
114.40430	0.6
115.05468	1.0
117.07001	1.6
119.04963	3.5
119.08521	0.7
121.06467	3.1
121.10142	0.6
122.03641	0.9
123.04446	1.6
124.05212	0.9
127.03913	3.2
129.05464	15.9
129.06970	1.1
130.04189	1.2
131.04909	100.0
132.05246	1.3
133.02820	2.0
133.06483	2.0
135.04390	1.4
135.08058	0.7
137.05962	34.2
145.04985	3.2
145.06473	1.8
145.08504	0.7
147.04402	22.7
147.06450	7.3
147.07990	3.6
149.05957	8.3
150.06757	2.6
151.03879	1.2
151.07523	6.7
153.01788	2.1
153.05432	0.8
157.06480	1.4
159.08061	1.8
161.05959	9.7
162.06723	8.4
163.07521	94.9
164.04662	0.8
164.07881	1.2
165.05432	1.4
165.09087	4.6
167.07034	3.3
171.04245	0.8
171.08005	1.8
173.05968	2.4
174.06850	0.7
175.07532	17.6
177.05424	3.8
179.07047	3.2
180.07814	0.7
185.05981	1.2
187.07538	4.1
189.05534	1.1
189.09116	2.6
191.06956	4.3
193.06880	0.8
193.08585	21.5
197.06065	0.7
199.07484	4.8
201.05469	1.0
203.07024	1.8
205.08543	5.1
213.05359	0.9
213.09097	1.4
215.06958	1.1
217.08542	5.8
229.08556	2.7
231.10240	0.7
233.08037	1.8
235.09596	4.9
239.07106	1.0
241.08507	0.9
243.10158	1.2
247.09612	2.4
251.06969	0.8
253.08530	1.7
259.09622	2.7
265.08517	0.8
267.10120	0.8
271.09662	1.5
273.11340	1.0
277.10770	2.3
281.11432	0.9
285.11209	5.3
295.11960	1.8
297.11166	8.8
299.12683	2.1
303.12274	2.6
307.11795	1.2
309.11404	2.3
311.12665	3.5
315.12271	4.2
317.13791	18.3
323.12753	5.3
329.13858	3.8
335.12805	1.5
339.12155	1.2
341.13779	8.2
345.39194	0.6
347.14926	3.6
353.13895	1.5
359.14795	6.5
361.88849	0.7
371.14713	5.9
383.14798	2.7
389.15698	0.9
409.16684	3.0
409.44006	0.8
413.15952	4.7
427.17526	4.3
439.17517	9.4
457.18503	8.7
475.19308	1.1
492.33026	2.0
615.28912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	17.0
55.01857	12.7
55.05504	37.3
57.03430	14.1
57.07071	6.2
65.03917	7.4
67.05498	100.0
69.03419	18.3
69.07057	28.1
69.44427	9.6
69.44843	15.5
71.04979	12.2
79.05482	77.4
81.03408	86.8
81.07048	97.7
83.04964	15.3
83.08612	27.7
85.02898	11.5
85.06527	5.8
91.05470	79.8
93.06465	5.1
93.07033	75.7
95.04954	56.0
95.08595	58.4
97.02856	14.8
97.06505	11.4
97.10165	17.8
97.10683	2.6
99.04422	3.4
99.08054	5.0
103.05453	3.8
105.07018	64.3
105.07746	3.9
107.04974	19.5
107.08584	41.0
109.02855	17.3
109.06499	11.9
109.10119	28.4
111.04428	9.1
111.08051	8.7
115.05440	9.8
116.06295	3.3
117.07004	28.1
119.04939	5.5
119.08567	46.1
121.06489	13.2
121.09329	3.7
121.10128	34.2
123.04449	7.9
123.08069	7.0
123.11681	7.9
125.02364	4.3
125.09606	12.9
127.03916	7.5
128.06189	4.6
129.06967	25.4
131.04926	5.3
131.08545	32.8
133.06461	8.5
133.10107	31.9
135.04335	4.0
135.08066	9.7
135.11678	20.4
137.05916	3.2
137.09567	5.1
141.06947	8.3
142.07744	6.1
143.08553	19.1
145.06502	9.3
145.10077	27.2
147.04364	4.9
147.08018	10.2
147.11659	29.8
149.06003	5.5
149.09598	11.0
149.13226	8.7
153.06966	3.2
155.08542	11.6
157.06544	3.6
157.10104	17.6
159.08055	10.3
159.11697	18.7
161.05980	6.8
161.09636	5.4
161.13229	6.1
163.11156	6.5
165.12679	4.0
167.08496	4.9
169.10080	10.7
171.08018	7.2
171.11632	10.5
173.09586	6.8
173.11841	3.8
173.13237	9.6
175.07463	3.7
175.11195	12.5
175.14766	5.8
181.10074	10.1
183.08029	4.3
183.11684	10.5
184.07338	3.8
185.09641	6.6
185.13246	8.1
187.07520	3.8
187.11159	3.7
187.14839	3.9
189.11182	6.7
189.12724	3.6
193.12131	20.2
195.11760	5.5
195.13727	3.4
197.09570	3.8
197.13193	6.9
199.11143	5.5
199.14835	3.8
201.12802	4.9
209.13321	4.4
211.11494	3.4
211.13116	13.9
213.12683	4.7
227.12613	5.3
252.72687	3.1
255.13800	4.9
259.20569	4.4
261.22079	10.4
267.15958	27.8
273.14926	9.1
273.18567	3.9
273.22324	3.6
289.18057	3.8
291.16367	3.0
291.19571	7.8
301.14166	6.0
303.15668	4.7
319.15311	8.4
335.25745	39.6
339.22897	4.1
341.24661	3.7
351.23090	7.8
369.24310	16.2
375.18076	5.7
393.18695	5.3
425.27170	3.3
435.32620	4.3
443.27881	8.0
461.28912	3.5
527.37311	16.4
530.39099	9.5
545.38605	13.8
597.37885	3.7
623.38873	4.6
635.39508	19.5
641.40302	4.3
653.40350	37.3
654.39648	3.9
671.41461	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89773	1.9
52.44341	1.4
53.03923	5.6
55.01857	6.8
55.05252	2.6
55.05501	31.6
57.03426	11.3
59.04991	2.0
61.02880	1.9
65.03919	1.7
67.05169	2.4
67.05498	36.8
69.03422	16.7
69.03768	2.6
69.07061	14.4
71.01347	1.7
71.04990	12.5
71.62768	2.4
73.02899	2.2
79.05479	41.7
81.03407	65.6
81.07046	43.9
82.07386	1.9
83.04970	22.2
83.08608	24.8
85.02893	13.5
85.06511	6.3
86.87446	1.4
91.05467	36.3
93.07030	36.4
95.04959	31.5
95.08591	25.6
97.02879	11.0
97.06490	7.8
97.10161	25.1
99.04450	2.8
103.05443	2.7
104.92278	1.5
105.07014	27.6
106.10043	1.5
107.04945	20.4
107.08579	26.2
108.23712	1.4
109.02869	8.2
109.06511	13.7
109.10146	22.4
111.04426	7.5
111.08076	8.5
115.05426	3.5
117.06981	10.7
119.04896	4.4
119.08558	21.2
121.06477	13.9
121.10123	19.4
122.10488	1.7
123.04414	4.2
123.08061	6.1
123.11696	6.8
125.05994	3.0
125.09606	26.0
127.03898	6.6
128.06149	2.9
129.05458	5.8
129.07002	11.7
131.04915	4.9
131.08557	15.9
133.06461	6.6
133.10124	15.5
135.04417	4.2
135.08051	10.6
135.11667	8.4
137.05937	6.7
137.09578	5.8
137.13336	2.3
139.11151	3.0
143.08549	5.9
143.10532	1.8
145.06493	9.8
145.10088	12.3
147.04396	15.2
147.08057	9.4
147.11653	14.4
149.05974	2.9
149.09622	12.4
149.13258	3.7
151.07468	2.1
151.11217	2.6
153.01768	2.6
153.09076	4.0
153.12732	1.8
155.08540	5.7
157.06430	1.9
157.10106	11.4
159.08057	3.1
159.11656	4.6
161.05936	3.2
161.09602	5.2
161.13170	2.9
163.03809	2.2
163.07600	2.5
163.11162	7.4
163.14844	2.5
165.05562	1.8
165.06964	1.9
165.09099	5.2
165.12769	5.0
167.07051	5.2
167.10703	4.0
169.06601	1.5
169.10083	2.7
171.08015	2.8
171.11674	4.4
173.04399	5.0
173.05890	1.6
173.09583	3.8
173.13271	2.9
175.07542	2.0
175.11172	10.0
177.12764	3.1
177.16324	2.1
181.10081	1.8
181.12225	2.3
183.07988	2.4
183.11664	2.4
185.13225	3.9
187.11096	3.9
187.14810	4.7
189.09492	1.5
189.11200	7.6
189.12732	4.1
189.16409	2.0
191.10678	3.9
193.08588	3.3
193.12196	20.2
195.11607	2.8
197.13258	3.3
199.11215	3.6
199.13086	2.6
203.10596	2.5
203.14230	2.6
203.18051	1.7
205.15817	3.3
209.11577	1.8
211.11295	3.4
211.13216	19.0
213.12659	2.2
215.14217	2.8
219.13788	4.4
223.13217	1.8
223.73384	1.9
227.12617	11.7
229.14305	1.6
233.15356	13.3
237.12663	2.1
237.14746	2.2
241.12064	2.0
243.58092	1.9
249.14827	4.3
267.15891	30.4
273.14847	6.1
273.17435	2.0
275.16537	2.0
285.16821	4.7
287.16440	2.1
289.18121	1.9
293.17618	1.9
301.14331	3.2
339.23135	3.4
349.21414	7.2
367.22617	22.4
385.23694	31.0
403.24680	12.9
410.34778	2.3
419.23972	1.6
429.21228	4.6
431.28220	3.2
441.26291	8.7
459.27347	100.0
460.27505	4.9
462.77850	1.8
477.28458	92.8
478.28644	5.5
491.30283	20.1
509.31146	11.9
513.78247	1.7
585.30670	2.8
603.31042	2.6
621.32721	6.6
653.34863	3.9
671.35303	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	667.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	4.3
69.03395	1.7
69.07055	48.5
71.62794	2.9
72.61811	1.4
79.05469	3.6
81.03388	1.6
81.07037	6.0
85.02880	2.6
85.06521	2.3
90.66327	1.5
91.05415	1.9
93.07001	4.1
94.06500	1.8
95.04947	1.8
95.08587	3.5
97.06512	2.3
105.07008	2.8
106.06520	3.1
107.04934	2.2
107.08561	2.0
108.08101	4.7
109.06525	1.6
109.10143	2.6
119.08619	1.5
121.06481	1.8
122.05997	5.5
124.07615	1.7
136.07515	2.3
137.05971	6.0
138.05458	7.3
140.07037	100.0
146.06070	2.8
148.07603	7.1
148.08569	1.5
150.09099	4.8
152.07031	36.2
153.01804	1.8
158.06027	2.0
160.07637	2.1
164.07019	3.7
166.08606	33.7
167.06937	2.3
172.03833	2.0
173.05914	1.6
174.05516	4.1
176.07100	2.7
192.10124	2.6
194.08081	3.6
209.10678	2.6
211.12297	2.0
212.12898	1.5
216.10013	2.0
218.08177	4.9
223.12222	2.2
225.10190	3.5
226.08797	1.6
226.10941	2.1
227.11903	2.3
227.32935	1.9
236.09206	2.0
237.10197	5.6
238.10851	3.2
239.11792	12.4
240.12573	2.1
246.07567	2.8
249.10266	4.0
250.10936	3.6
251.11740	10.2
252.12531	4.8
253.13376	5.1
255.11287	1.6
261.12326	5.6
263.11694	4.9
264.12424	2.0
265.10141	3.0
265.13287	24.4
266.10562	4.0
266.14120	4.3
267.11310	7.6
269.12753	4.7
271.10855	1.6
271.14401	5.0
276.08521	3.0
277.09595	2.6
279.11310	17.9
280.12070	5.8
281.09573	1.3
281.12802	8.2
283.10849	3.2
283.14108	2.2
285.12244	5.7
287.13858	7.6
291.11072	2.4
293.12820	5.6
294.13467	3.0
295.10965	3.4
295.14377	4.4
296.11588	2.0
297.12250	13.0
298.13068	12.5
299.13831	5.0
305.14923	3.3
309.12350	18.6
310.13025	10.5
311.10223	4.5
311.13760	26.0
312.14490	4.3
313.11734	10.0
313.15393	7.2
318.16208	2.3
321.12299	2.2
323.10074	1.8
323.16125	2.5
324.10971	3.1
325.11877	3.0
328.13931	1.7
331.12854	3.4
332.13974	2.3
337.11777	15.4
338.12576	9.8
339.13370	22.1
340.13742	2.6
345.14252	1.8
350.18695	2.0
370.15170	2.0
371.15897	6.1
377.17343	2.6
389.18512	2.1
390.18195	3.7
391.19073	2.5
392.15607	2.9
401.13538	7.0
406.18039	2.1
410.20691	4.4
417.17035	2.6
418.17612	3.2
432.19098	3.8
433.17435	4.8
434.20773	5.8
435.18100	4.1
436.18475	4.0
437.19394	6.0
438.20041	4.7
450.20175	51.1
452.21729	88.7
453.22104	1.7
460.18265	4.3
462.20233	1.9
464.18091	8.2
478.19653	95.2
479.20151	3.2
480.21030	2.6
481.63715	1.7
496.20703	17.3
510.22281	84.4
511.22809	3.3
575.24933	2.3
591.27802	3.2
599.24310	7.0
617.25879	26.1
635.26965	84.3
636.27264	2.1
667.30371	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	667.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27953	1.0
53.93230	1.1
62.17834	1.3
67.05479	3.6
69.03413	1.5
69.07060	47.4
69.70603	7.6
79.05479	2.4
81.07034	4.3
82.92550	1.2
85.02894	1.9
91.05421	1.9
93.07023	2.4
94.06562	1.7
94.73415	1.3
95.04967	1.5
95.08606	1.8
96.19674	1.3
96.36445	1.1
97.06536	1.5
98.20750	2.3
105.07035	2.0
106.06534	2.6
107.04926	2.0
107.08564	2.0
108.08112	4.3
109.06496	2.3
109.10106	1.9
112.07568	1.3
120.04482	1.1
121.10114	1.6
122.06020	3.9
124.07608	2.7
127.03917	1.5
132.08119	1.3
135.04402	2.8
136.07585	3.8
137.05968	3.9
138.05495	7.1
139.07448	1.3
140.07051	92.0
146.05978	3.4
148.07593	6.2
150.09135	6.8
152.07051	35.4
153.01840	1.7
153.07513	1.1
158.05933	1.7
159.07957	1.4
162.05463	1.4
162.09119	2.1
164.07072	5.0
166.07208	1.6
166.08606	32.8
166.09923	2.3
167.06903	1.3
172.07576	1.4
174.05562	2.9
176.07083	2.4
178.08727	1.9
179.07048	1.5
190.04883	1.5
190.08565	1.5
192.10085	1.8
194.08067	2.9
200.07010	1.9
211.12296	4.0
216.10178	3.0
218.08118	5.4
225.10236	3.8
226.10913	1.6
227.11812	1.7
237.10168	3.7
237.13957	1.5
238.10942	2.8
239.11729	12.9
240.12489	2.7
241.09615	2.3
243.11365	2.3
244.09593	1.4
246.07619	2.1
249.10240	2.8
250.10907	3.4
251.11758	10.5
252.12581	3.4
253.13362	7.0
255.11301	2.3
257.12500	1.7
259.10751	1.5
261.12231	6.0
263.08408	1.4
263.11700	5.9
264.12531	1.8
265.09753	4.8
265.13327	24.4
266.10489	2.9
266.14069	3.8
267.11215	5.7
267.14716	1.8
269.12811	2.7
271.10535	1.5
271.14410	4.0
278.10483	2.0
279.11261	19.6
280.11981	3.6
281.09503	1.9
281.12784	6.9
282.09915	2.0
283.10757	3.7
285.12354	7.0
286.10861	1.6
287.13950	10.7
291.11060	2.5
293.12833	4.5
295.10736	5.6
295.14374	4.8
296.11606	3.3
297.12335	12.8
298.13071	14.4
299.13699	5.7
300.12173	2.6
305.14847	3.7
309.12329	17.8
310.12994	12.0
311.10272	4.8
311.13791	27.5
312.14716	4.5
313.11777	11.3
313.15472	5.9
315.13306	2.4
321.12430	3.0
323.15997	3.7
324.11072	4.2
331.12860	2.7
337.11823	14.8
338.12549	11.0
339.13339	18.3
340.14078	2.6
345.14731	1.6
350.18530	2.0
357.14404	1.5
360.17346	1.6
369.14377	1.4
371.16055	4.0
374.14957	1.7
377.17715	1.6
378.18243	2.7
390.18375	2.4
392.15659	2.4
392.20126	2.6
401.13297	7.1
410.20490	3.5
417.17377	1.8
418.17419	2.9
419.18362	1.5
420.19183	4.2
432.19177	2.9
433.17694	5.0
434.20575	5.6
435.17938	2.9
436.18710	4.0
437.19250	5.2
438.20175	6.2
450.20193	42.6
451.20392	1.5
452.21796	83.4
453.22360	2.3
458.16901	1.7
460.18808	3.5
462.20114	2.1
464.18109	4.8
478.19684	100.0
479.20367	3.6
480.21143	3.2
496.20807	17.4
510.22314	87.1
511.22552	3.5
557.23877	1.5
575.24805	3.5
591.27637	5.1
599.24750	6.7
607.27148	1.9
617.26062	27.2
635.27020	81.6
636.26984	3.6
667.29889	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	667.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.7
69.07043	2.2
69.35397	2.9
69.35824	4.1
79.05481	0.8
81.07021	1.1
93.07037	0.8
94.06554	1.5
95.08593	0.9
96.52689	0.6
98.20693	1.1
106.06529	1.6
108.08109	0.9
109.10123	0.9
114.65352	0.6
120.04494	0.7
120.08089	0.7
121.10122	0.8
122.06004	7.8
123.11646	0.7
134.06020	1.0
136.07542	11.6
137.05933	0.6
138.05479	1.1
140.07040	12.1
146.05965	3.9
146.09642	2.1
148.07556	5.3
150.09076	0.8
152.07039	1.5
162.05498	1.1
164.07042	24.5
166.08617	19.4
172.03947	4.2
174.05481	3.3
176.07018	6.4
190.04967	1.4
192.06465	1.0
204.06464	3.9
206.08093	1.2
210.11472	1.9
211.12256	1.5
218.08121	0.8
222.11391	1.3
223.12332	2.1
224.12997	1.5
225.10254	1.1
227.11859	0.8
235.08669	1.1
235.12340	1.3
236.13127	0.9
237.10172	6.0
237.13745	3.2
238.11006	4.5
238.14607	1.1
239.11777	6.0
243.11176	0.6
246.07527	0.8
247.12306	0.7
248.09462	2.6
249.10159	5.6
250.10936	5.2
251.11743	11.1
252.12509	2.2
253.13332	2.8
255.11345	0.8
261.12326	2.3
263.11761	21.9
264.08957	1.1
264.12473	4.2
265.09717	7.2
265.13312	35.7
266.14035	2.5
267.11261	3.0
268.12042	1.1
269.12753	1.4
270.13596	1.1
271.10757	0.7
271.14355	1.8
275.11871	1.2
277.09659	7.0
277.13065	1.3
278.10422	2.4
279.11221	48.5
280.11807	2.5
281.12668	2.9
282.13483	2.0
283.10999	0.9
283.14398	2.1
285.12344	1.3
287.13809	6.6
291.11234	8.5
292.11914	2.9
293.12820	8.7
294.10321	1.0
294.13617	2.6
295.10724	8.1
295.14093	1.1
296.11581	2.6
297.12296	20.9
298.12955	3.1
299.13876	1.1
305.14880	1.6
307.26215	1.3
309.12271	61.3
310.13049	22.3
311.13821	33.8
312.14581	6.6
313.11731	3.4
313.15399	2.8
319.10641	8.8
320.11472	0.8
321.12262	3.3
323.16025	1.8
324.10895	1.2
325.11777	2.1
331.12872	1.6
331.16882	0.8
337.11758	100.0
338.12515	31.6
339.13327	24.6
339.17416	1.1
340.13882	1.7
345.14441	1.4
355.12805	0.8
357.14661	1.7
369.14389	22.3
370.15201	6.1
371.16025	6.3
374.15021	0.7
399.15649	1.3
400.16531	2.1
401.13358	5.0
414.17105	0.7
416.15854	1.2
417.16733	0.9
418.17654	1.0
432.19327	0.9
434.16858	0.9
450.20001	2.0
452.21738	52.5
453.21640	0.9
458.16879	2.6
459.17514	1.0
459.28714	0.7
460.18744	0.8
476.17871	2.8
478.19666	43.2
479.19510	0.8
480.21146	1.5
494.19049	4.5
495.19461	1.1
496.20712	11.0
510.22266	59.6
511.22736	1.3
573.26941	0.8
575.24860	1.7
591.27899	2.0
599.24896	5.6
617.16614	0.9
617.26013	12.4
635.26996	50.8
636.26941	1.3
667.29547	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	665.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
54.76266	0.2
55.01864	0.9
55.05499	2.9
57.03411	0.6
57.07060	0.7
61.74094	0.2
63.02354	0.4
65.03943	0.4
67.05492	6.3
68.41321	0.2
69.03419	1.5
69.07053	3.5
71.05002	0.4
71.08627	0.4
74.09672	0.3
75.64888	0.3
79.05470	3.2
81.03405	1.4
81.07041	8.1
83.04968	2.5
83.08604	2.2
85.02861	0.4
85.06518	0.3
87.48504	0.3
89.03891	5.7
91.05453	5.0
93.07026	7.2
95.04957	1.8
95.08589	10.4
97.02884	0.4
97.06516	1.4
97.10157	0.9
99.08086	0.6
105.07015	9.9
107.04929	1.1
107.08572	10.7
109.02819	0.5
109.06501	1.5
109.10134	8.4
111.04383	0.4
111.08047	1.5
117.03355	15.4
117.06983	1.6
118.03638	0.3
119.08559	12.1
121.06467	0.6
121.09299	0.5
121.10119	7.4
123.08051	1.0
123.11670	2.6
125.09608	2.7
129.06985	0.6
131.08537	4.7
133.10100	9.6
134.03621	1.3
135.04395	1.8
135.08000	0.3
135.11644	4.4
137.09579	0.8
137.13240	0.3
141.06940	0.4
142.07704	0.4
143.08504	1.7
145.02815	42.1
145.10089	9.6
146.03181	0.5
147.11656	5.8
149.05959	6.9
149.09605	0.9
149.13242	2.8
151.07500	0.4
151.11160	0.9
153.09081	0.4
155.08514	0.3
156.09309	0.3
157.10078	1.9
158.05992	1.0
159.11653	7.9
161.09621	0.3
161.13226	5.2
162.03032	0.4
163.03859	1.1
163.11153	0.9
163.14781	2.9
169.10065	0.8
171.11601	1.8
172.12303	0.3
173.11748	0.7
173.13194	4.5
175.11142	0.4
175.14777	4.9
177.05432	100.0
177.16328	4.5
178.05768	1.7
179.10658	0.4
179.14384	0.4
183.11581	0.7
185.13174	1.3
186.05467	3.8
187.14786	11.4
189.09264	0.3
189.16351	9.6
191.14285	1.1
191.17923	2.0
193.15829	0.5
195.06491	10.4
195.11691	0.3
197.13213	0.5
199.14777	2.7
201.16345	11.6
202.16727	0.4
203.14319	0.5
203.17908	4.5
205.15865	2.3
207.17368	0.5
209.13228	0.5
211.14734	0.7
213.16342	4.0
214.16910	0.3
215.17912	7.2
217.15872	1.9
217.19478	1.1
219.17407	6.0
221.15337	0.4
223.14703	0.3
225.16377	0.5
227.17911	1.2
229.19408	1.0
231.17378	0.9
233.19008	1.6
235.16875	3.3
237.16411	0.4
239.17914	0.9
241.19434	1.8
243.20947	0.7
247.16896	2.3
249.18478	1.0
253.19463	0.8
255.21056	0.5
257.18954	0.5
257.22562	0.4
259.16937	0.4
261.18454	1.9
267.21005	1.7
273.18369	0.4
275.19946	3.1
281.22534	0.8
283.15076	0.4
309.25665	0.4
349.23529	0.9
349.28284	0.6
355.17331	0.6
373.18576	1.3
389.32086	2.3
390.31903	0.3
395.29233	0.9
407.27649	0.6
407.33023	11.1
409.34366	1.1
423.32248	0.4
425.33978	0.8
435.32397	4.4
443.35110	0.6
453.33569	11.8
503.33682	1.5
575.31195	0.4
587.26489	0.3
647.37500	2.7
665.38263	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01858	0.6
55.05503	2.3
57.07047	0.6
63.02361	0.5
65.03912	0.6
67.05492	5.2
69.03405	0.8
69.07058	3.1
69.32813	4.6
71.04977	0.7
79.05481	3.2
81.03389	1.4
81.07044	10.1
83.04950	1.7
83.08626	2.4
89.03907	4.3
91.05472	4.8
93.07027	6.7
95.04942	1.5
95.08592	11.2
97.02854	0.5
97.06520	1.3
97.10171	0.8
98.27356	0.4
103.05435	0.7
105.07014	8.0
107.08578	10.6
109.02837	0.7
109.06480	1.2
109.09432	0.7
109.10137	7.6
111.08050	0.7
117.03362	14.3
117.07011	1.6
119.08566	10.1
121.10124	8.3
123.08053	0.8
123.11698	2.8
125.09601	1.2
127.03888	0.4
129.06998	0.9
131.08553	4.5
133.10112	8.1
134.03609	1.1
135.04388	1.7
135.08041	0.6
135.11679	5.8
136.13062	0.4
136.14174	0.5
137.09573	0.4
137.13229	2.3
140.59160	0.4
142.07736	0.5
143.08546	2.3
145.02823	39.1
145.10088	6.2
146.03156	0.7
147.11658	3.6
149.05949	6.2
149.09595	0.6
149.13234	5.3
151.11102	0.7
155.08479	0.8
157.10126	1.9
158.06032	0.7
158.10863	0.5
159.11679	5.3
161.13228	4.1
162.03128	0.6
163.03888	1.1
163.11215	0.6
163.14777	2.1
169.10127	1.1
171.11702	2.3
173.11823	0.6
173.13229	3.4
175.14778	3.2
177.05443	100.0
177.16336	5.9
178.05843	1.3
183.11641	1.3
185.13275	2.1
186.05470	4.1
187.14798	5.7
189.16357	7.5
191.14290	1.2
191.17905	1.9
195.06505	17.4
195.11696	0.4
197.13297	1.1
199.14819	2.5
201.16371	8.9
203.14188	0.7
203.17940	6.0
205.15819	2.2
211.14835	1.0
213.16362	3.6
215.17920	3.6
217.15829	1.3
217.19460	1.8
219.17404	4.6
223.14949	0.8
225.16393	0.6
227.17924	0.6
231.13867	0.5
231.17320	0.6
233.18912	0.8
235.16866	3.0
239.17885	1.8
241.19478	1.1
243.21002	0.6
247.16936	1.2
253.19537	1.0
255.20985	1.0
257.15283	0.6
261.18448	1.2
267.21094	1.0
275.16467	0.9
275.20007	2.4
315.11896	0.4
349.23868	1.0
349.28958	0.5
373.18555	1.4
389.31909	2.2
395.84903	0.4
407.33038	10.6
408.33014	0.4
409.34637	1.5
435.32419	3.0
453.33588	13.3
454.33813	1.0
493.27927	0.5
503.33539	1.5
521.64960	0.4
647.37921	2.2
665.36511	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	664.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.8
57.03426	10.0
57.07068	22.0
59.04980	2.8
61.02918	4.0
65.03917	1.5
66.78477	0.8
67.05495	54.0
69.03415	1.1
69.07063	5.9
69.80821	3.5
69.81236	1.3
71.04967	2.2
71.08228	0.8
71.08621	15.0
73.02898	1.3
79.05473	1.2
79.26902	0.8
81.03383	0.8
81.07043	13.3
83.08613	10.0
85.02898	4.7
85.03347	0.8
85.06522	2.0
85.10165	8.9
87.04449	0.7
89.06004	1.5
91.03950	1.8
91.05463	4.6
93.07024	4.3
95.08036	1.3
95.08591	13.8
97.02856	1.4
97.10164	3.2
98.21421	0.8
105.06990	1.0
107.08572	2.5
109.10139	59.3
110.10410	1.0
111.08046	2.7
119.08572	5.4
121.10107	1.8
123.07983	1.2
123.11682	1.5
124.99950	0.7
133.10098	1.2
137.09575	2.9
137.13229	0.9
155.10617	2.6
157.10175	1.4
159.11665	1.0
173.11710	17.2
173.13155	1.5
184.07307	2.1
229.14317	100.0
230.14664	1.4
239.23611	1.6
240.18246	0.8
246.36354	0.7
257.24680	1.2
313.27316	78.4
314.27686	1.4
322.16403	0.8
455.93530	0.8
467.37256	63.9
468.37524	1.6
523.39380	1.1
664.46985	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	665.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.6
67.05504	0.9
69.03409	0.8
69.07059	3.3
71.00922	1.4
73.82829	0.5
78.57598	0.5
79.05451	0.7
80.05022	0.8
81.03419	0.9
81.07040	1.2
85.02885	0.7
91.05468	0.6
93.07029	1.2
93.81904	0.4
94.06557	4.0
95.04941	0.9
95.08582	1.1
105.06984	0.9
106.06519	0.6
107.08585	0.8
108.08112	1.0
109.10147	1.0
110.06074	0.9
111.04415	0.7
112.07555	0.8
116.05016	0.6
118.06505	0.7
119.08561	1.0
120.08111	0.8
122.06011	15.8
123.04417	1.2
125.02416	0.6
130.49739	0.5
130.97675	0.5
134.05952	1.3
136.07452	0.5
137.05995	1.8
140.07039	25.9
144.04443	2.1
145.04912	0.6
146.05977	9.2
146.07053	0.6
147.06764	0.8
147.11681	0.7
148.07564	1.5
152.07039	1.0
159.04791	0.6
160.07541	1.0
167.07028	0.7
172.03914	8.8
173.04695	2.1
174.05472	15.8
176.07034	7.4
177.07806	0.6
190.04979	3.6
191.05785	1.8
192.06551	1.7
192.98715	0.5
197.07040	1.0
197.10684	1.0
199.08650	1.3
204.06532	16.9
206.08093	6.0
211.08658	0.9
212.09230	0.7
213.10239	1.8
214.10915	0.7
215.11787	2.1
216.10274	0.6
223.08586	0.6
224.09280	0.9
225.10251	2.2
226.08746	1.0
226.11006	0.6
227.08031	0.8
235.12262	0.5
237.10245	1.8
238.10989	0.6
239.11810	1.8
241.09663	1.6
243.11279	9.5
249.10194	1.8
250.10901	0.8
251.11754	1.4
253.09625	1.5
255.11287	0.7
257.13016	0.9
259.10825	0.6
260.09055	0.6
261.12411	0.9
263.08185	1.9
263.11621	0.7
264.08813	1.0
265.09723	2.4
266.10327	0.9
267.11246	2.0
269.09232	1.6
270.09970	0.9
271.06137	0.9
271.10815	2.3
277.09802	0.7
278.10440	0.6
279.11234	1.5
281.09171	1.2
281.12656	0.7
283.10788	4.5
284.11594	1.4
285.12262	17.2
286.12924	0.7
287.10281	2.6
287.13904	1.8
288.11658	0.6
295.10687	1.3
297.12222	1.1
298.12897	1.1
299.10278	2.4
299.13934	1.5
300.11124	0.9
301.11975	2.4
303.13336	23.5
304.14349	1.9
311.10123	0.8
311.13715	0.7
313.11755	26.5
314.12646	1.1
315.13620	1.0
316.10907	1.0
317.15347	1.0
318.12683	0.6
318.16040	2.3
319.16776	1.5
321.14532	1.6
323.10245	2.4
324.10889	1.0
326.13147	0.6
327.13699	1.0
328.11002	0.9
329.11707	1.6
330.12363	2.1
330.16049	1.2
331.12848	7.4
331.16556	0.8
332.13815	1.5
337.11691	0.7
339.13675	0.8
340.14523	0.8
341.12079	0.6
342.12378	1.4
342.16196	0.7
343.13223	0.9
344.13721	2.9
345.14447	13.7
346.15280	2.9
347.16406	2.5
348.17160	1.1
351.67102	0.6
354.12360	1.2
356.13916	2.0
357.15002	1.3
358.11746	1.4
358.15714	2.6
360.17084	3.0
363.15491	1.2
368.13721	1.3
369.14871	1.0
370.11444	1.1
370.15521	1.9
371.12823	2.2
372.13452	5.2
372.16986	0.7
373.14044	2.8
374.14746	3.2
378.18024	0.6
381.10855	0.8
382.15500	0.8
383.12714	1.4
384.17368	1.0
385.14297	2.2
386.14871	7.8
387.15826	5.6
388.16599	4.2
396.13342	2.0
398.15015	1.9
399.15854	0.8
400.12442	0.9
400.16907	1.4
401.13104	1.0
401.17422	1.5
402.14346	2.1
402.18283	1.7
404.16074	3.0
405.16949	1.8
406.17636	4.3
410.15009	1.5
412.16449	1.2
413.13953	0.8
414.14346	9.4
414.19397	0.6
415.15070	10.5
416.15991	18.2
417.16428	1.1
418.17715	1.4
428.16080	3.6
429.16916	3.2
430.17529	4.6
431.18500	0.6
432.15250	3.0
433.16357	4.1
434.17038	5.0
438.14426	1.2
446.17056	6.9
447.17703	3.2
456.15570	7.7
457.16254	2.1
458.16827	1.1
460.14856	1.1
462.16385	0.7
474.16501	20.4
475.17282	7.9
476.18015	4.4
489.18982	1.5
490.19897	0.6
506.19067	2.6
507.20010	1.1
571.25439	1.9
573.23431	2.0
597.23322	7.0
615.24377	100.0
616.24805	6.9
629.26135	1.2
633.25574	2.5
647.27032	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	663.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92487	0.6
54.21505	0.5
57.07070	53.1
58.07354	0.7
71.33485	0.7
71.33849	1.0
77.03973	1.2
79.05442	0.7
87.04415	0.7
89.84388	0.5
91.05489	6.1
95.04903	1.0
105.07000	1.3
112.80282	0.6
119.08545	1.3
147.11658	7.1
152.06163	1.1
153.06927	2.6
182.35025	0.6
228.09175	1.0
229.10046	0.7
233.03601	5.7
251.04651	15.3
292.07281	0.7
307.10849	2.3
327.07755	100.0
328.08121	2.7
383.14020	73.8
384.14304	2.7
424.16663	0.7
439.20303	80.1
440.20724	3.4
495.26529	63.3
496.26776	3.0
551.32813	85.4
552.33069	4.3
607.39020	79.3
608.39447	4.4
633.33563	0.7
663.45209	21.3
664.45386	1.6
668.47284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29070	1.2
50.85996	1.2
50.90343	1.5
53.03933	2.3
55.01860	3.1
55.05497	4.3
55.17856	1.3
57.03426	2.1
61.02921	1.5
64.62661	1.4
67.05487	5.1
69.03417	9.3
69.07049	7.2
69.98710	2.3
69.99123	4.4
70.06571	2.6
71.04977	5.4
79.05483	13.7
81.03406	13.5
81.07049	22.2
83.04961	11.1
83.08595	2.5
85.02898	10.4
85.06534	4.7
85.62188	1.3
91.05469	9.2
93.07025	26.3
95.04947	8.9
95.08597	12.8
97.02884	5.6
97.06522	18.8
98.20791	1.6
99.04435	12.5
101.02386	1.7
105.07008	20.5
106.07386	1.5
107.04939	7.5
107.08569	23.5
109.02868	21.8
109.06472	14.9
109.10150	5.3
111.04433	3.9
111.08073	10.9
112.07603	2.2
113.05985	2.5
115.07532	1.8
117.06985	2.5
119.04933	4.0
119.08573	11.7
121.06486	39.4
121.10127	4.7
123.08054	4.4
123.11696	5.7
125.05977	10.0
127.03899	23.2
127.07540	7.3
128.04216	1.5
129.06989	5.8
129.14630	1.4
131.04953	2.8
131.08549	5.1
133.06482	2.8
133.10109	10.0
135.04366	1.8
135.08020	11.3
137.05966	14.6
137.13217	2.1
139.07510	12.4
141.05492	2.0
141.07007	1.5
142.07663	1.4
143.07033	11.1
143.08569	5.6
145.04953	2.7
145.06514	4.0
145.10135	5.3
147.04385	5.6
147.08049	3.9
147.11673	38.1
149.05919	1.5
149.13266	2.1
151.03940	1.5
151.07524	2.9
151.11140	4.3
153.01816	3.0
153.09097	3.3
154.07869	1.4
157.06403	1.9
157.08588	6.3
157.10110	10.5
159.08037	3.0
161.05960	2.9
161.09592	2.0
161.13264	6.8
163.03886	3.0
163.07561	2.7
163.11208	2.4
165.09322	1.3
165.12737	17.8
167.06987	7.5
169.12259	6.2
171.07867	1.3
171.11653	11.3
173.05980	2.4
173.09642	2.8
173.13229	1.8
175.07648	1.9
175.11157	26.0
179.07047	3.7
181.10141	2.4
187.06004	5.4
187.07542	2.6
187.11224	1.9
189.09100	2.4
189.12747	17.3
191.07060	2.1
191.10617	1.8
193.08508	1.5
193.12242	21.8
199.11128	16.1
203.07031	5.3
205.06985	3.8
207.13771	10.1
209.15343	3.2
211.13254	18.8
215.06955	4.6
217.08731	3.3
217.12184	48.2
225.14786	1.7
229.08531	2.0
229.14363	4.9
233.08011	3.3
233.11845	1.7
235.13252	58.6
236.13628	1.8
247.09665	3.6
253.14326	100.0
255.13977	2.1
257.08005	2.5
257.13782	3.1
271.15381	27.6
271.18112	2.5
275.26358	1.6
277.08597	1.7
289.16504	10.1
295.15524	1.9
307.09866	1.8
311.13022	1.5
313.16348	5.5
315.08371	2.1
319.15240	2.4
330.10901	4.6
331.17435	3.6
337.16415	2.4
343.15482	3.9
361.16342	13.7
379.17477	22.2
383.14746	13.8
397.18524	36.5
400.15976	1.6
401.15720	9.6
415.19507	24.7
419.16739	3.2
427.17508	9.6
433.20782	9.3
445.29388	1.5
684.58337	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.3
57.07078	1.9
57.93869	0.9
65.03930	1.4
67.05492	4.1
69.03411	2.0
69.07044	4.1
71.04989	2.0
71.62334	1.6
76.26202	1.0
79.05488	3.7
81.03402	1.1
81.07039	9.3
83.04969	2.4
83.08619	1.3
85.02911	1.4
85.06522	1.7
86.09680	2.1
87.56232	1.0
91.05466	3.4
93.06538	0.9
93.07050	5.9
93.07520	1.1
94.06548	2.7
95.04968	1.9
95.08589	6.5
97.02885	1.0
97.06507	2.0
97.10150	1.0
99.04479	1.4
105.07002	4.2
106.06535	4.0
107.04916	1.2
107.07358	6.5
107.08560	5.1
108.08096	26.4
109.02873	1.1
109.06535	1.2
109.10147	6.7
110.06032	2.0
111.04408	2.1
116.05007	1.3
117.06933	1.0
119.08568	3.1
120.04443	3.1
120.08091	5.8
121.08859	1.3
121.10096	2.6
122.06004	3.2
122.09644	20.8
123.08051	2.0
123.11671	3.6
125.05962	1.1
125.09623	1.6
127.03881	1.8
127.11179	1.2
132.08069	1.4
133.10100	3.4
134.06020	1.1
134.09657	2.2
135.06801	1.6
135.07982	1.1
135.11670	2.8
136.07579	5.7
137.05998	1.9
137.13240	2.0
139.11165	1.1
140.07072	1.2
141.05392	1.8
143.08508	1.7
144.04414	2.2
145.10101	2.1
146.05988	20.9
146.09608	2.0
147.04422	1.8
147.11685	3.3
148.07535	7.9
149.09538	1.0
149.13316	2.2
150.09117	94.3
152.07059	7.8
153.01836	2.0
157.10202	1.0
158.06056	1.6
159.11678	1.7
160.03917	1.2
160.07581	2.7
161.13249	1.5
162.05513	1.8
163.11127	1.5
164.07036	4.1
166.08615	49.5
167.06992	1.5
172.03893	15.1
173.13216	1.6
174.05438	1.6
175.11211	1.9
175.14751	1.2
176.07053	1.0
184.07346	2.4
185.07733	1.0
190.04970	10.7
197.10730	1.6
198.11493	3.4
199.12395	1.4
199.14812	1.0
201.12624	1.2
204.06525	20.8
209.10736	2.0
210.11523	3.3
211.12221	6.2
212.13127	1.6
218.08138	2.9
222.11455	1.3
223.12219	4.7
225.10211	4.4
225.13826	2.2
226.10797	1.7
227.11685	3.7
229.13219	1.2
235.08615	2.3
235.12210	1.1
236.09460	2.9
236.13083	1.6
237.10245	6.5
237.13835	2.4
238.10997	4.9
239.11749	10.3
246.07617	1.3
248.09492	2.4
249.10239	12.7
250.10980	7.5
251.11745	16.7
252.09029	1.4
252.12413	4.8
253.09688	2.2
253.13368	6.5
255.11488	1.1
255.14937	4.5
256.11926	1.2
257.12888	3.7
262.07001	1.1
262.10986	1.9
263.08987	1.3
263.11749	30.9
264.08804	3.9
264.12451	8.4
265.09766	5.8
265.13327	16.8
266.10455	4.0
266.13834	1.4
267.11215	9.5
267.14072	1.2
269.12747	4.6
271.10776	2.0
275.11679	2.4
276.08887	1.2
277.09708	2.5
278.10446	4.4
279.11240	32.2
279.14301	1.7
280.11923	3.1
281.12811	23.9
282.10110	1.9
283.10803	3.8
283.14355	8.3
284.11536	3.5
285.12305	12.1
287.13782	5.6
291.11243	26.4
292.11929	8.4
293.12820	26.6
294.13324	1.2
295.10773	5.5
295.13651	1.2
296.11456	1.7
297.12299	26.8
298.12991	4.0
299.13861	33.0
303.13531	1.1
303.23138	1.3
304.23450	1.1
305.15033	3.1
307.10751	4.2
309.08701	2.1
309.12292	42.7
310.13000	2.5
311.10211	2.8
311.13776	12.7
313.15311	2.3
319.10706	21.4
321.12262	5.2
323.10797	4.5
323.15952	4.2
325.11786	24.9
325.15329	1.3
326.12219	1.3
327.13367	5.7
330.16171	1.7
337.11761	100.0
338.12088	3.9
339.13461	6.9
341.15005	2.8
343.12906	1.8
343.16794	1.0
346.18915	1.3
357.14462	9.4
369.14362	6.4
371.15924	3.5
385.13577	1.0
388.20242	2.2
398.14749	1.1
399.15930	2.9
401.13269	9.7
405.30203	1.0
406.21118	2.6
414.18103	3.2
416.15463	2.5
418.20941	1.2
429.30029	4.4
430.21338	2.1
432.19241	4.7
433.19827	2.1
434.20663	3.9
440.15756	1.3
446.21216	6.9
447.31076	8.1
448.22278	59.9
449.22711	2.1
456.19046	1.6
458.16943	3.3
460.18533	2.1
464.17993	3.8
465.32239	1.7
474.20197	86.6
475.20496	5.1
476.17950	3.8
482.19064	3.0
492.21280	14.3
494.19482	2.0
506.22809	53.5
507.23410	4.8
514.21802	3.7
570.86847	1.3
571.25323	3.7
587.28174	2.4
595.25525	11.2
603.27661	1.7
613.26440	17.6
623.34552	1.2
627.27142	1.7
631.27478	45.1
632.27649	2.5
663.29858	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	662.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01849	2.7
55.05499	9.2
57.03426	9.8
57.07067	1.2
58.72587	0.5
61.02902	1.7
65.03927	1.3
67.05492	25.9
69.03413	2.1
69.07053	8.0
71.01333	1.5
71.04974	3.4
73.02914	0.7
75.58751	0.5
79.05476	26.4
81.03401	21.7
81.07043	19.4
83.04971	10.1
83.08609	9.0
85.02887	7.4
85.06535	2.2
85.72738	0.5
86.09679	2.0
87.04449	1.2
91.05465	18.4
93.07024	28.7
94.07353	0.8
95.04952	15.2
95.08592	7.3
97.02880	2.4
97.06519	7.3
97.10149	8.0
99.04436	1.2
99.08096	1.7
105.04478	0.6
105.06305	0.7
105.07008	11.2
106.07373	0.7
107.04964	4.0
107.08572	22.5
109.02889	0.6
109.06509	4.4
109.10129	5.2
111.04427	2.1
111.08053	5.0
111.11675	0.6
113.05999	1.3
115.03948	0.6
117.06995	3.3
119.04928	0.8
119.08561	10.7
121.06517	1.4
121.10133	6.6
123.08017	1.5
123.11719	1.2
124.99986	1.9
125.09582	2.6
129.06985	4.0
131.08524	4.8
133.06473	1.5
133.10092	9.8
135.08055	2.6
135.11661	26.4
136.12036	0.8
137.09633	1.6
142.07742	1.4
145.10088	6.4
147.04381	2.7
147.08044	0.9
147.11655	7.4
149.09604	3.6
151.11156	3.1
153.12799	1.1
157.10083	5.7
163.11134	6.3
165.12712	2.5
172.38661	0.6
173.13248	0.6
175.11130	6.8
181.12186	5.6
184.07295	8.0
185.07703	1.1
193.12204	17.2
199.13295	1.1
211.13231	16.3
254.39264	0.6
255.15865	47.0
256.16318	1.5
267.15884	14.3
268.16263	0.6
269.17273	0.8
285.16919	11.6
322.70328	0.7
355.22531	0.6
373.23505	1.0
421.25677	2.0
447.27322	38.7
448.27786	2.0
465.28400	100.0
466.28809	5.5
655.23120	0.7
662.24902	1.1
662.35095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40429	0.9
53.03931	3.9
55.01853	3.0
55.05505	16.0
57.03433	19.5
57.07067	1.0
59.04956	0.9
61.02905	3.8
63.11579	1.0
65.03926	1.4
67.05495	44.1
67.05863	2.1
69.03436	4.8
69.07059	13.5
70.29398	3.9
71.01327	2.8
71.04973	6.9
73.02917	2.2
79.05484	42.8
80.08826	1.0
81.03408	54.6
81.07042	30.2
81.07513	2.0
83.04973	16.4
83.08605	22.0
85.02413	1.6
85.02894	19.1
85.06533	3.4
86.09683	3.4
91.03933	1.4
91.05471	31.2
93.07030	43.0
94.07398	1.0
95.04358	1.2
95.04957	25.8
95.08589	10.6
97.02882	5.5
97.06514	13.3
97.10148	11.0
98.21484	1.3
99.08065	1.8
105.06371	1.7
105.07015	19.0
107.04942	7.4
107.08585	28.2
109.06514	6.3
109.07124	1.1
109.10127	5.7
111.01917	1.0
111.04428	1.5
111.08070	11.0
113.05972	1.4
117.07030	5.2
119.08571	18.5
121.06495	2.3
121.10146	10.7
123.08052	1.2
123.11670	1.8
124.99992	2.3
125.09600	2.8
129.06995	10.5
131.08565	9.3
133.06502	1.9
133.10127	11.9
135.11678	41.6
137.09589	2.6
142.07758	1.6
145.10091	7.9
147.08012	2.6
147.11665	11.7
149.09595	5.5
153.12746	1.1
157.10112	12.1
163.11150	6.2
165.12730	2.7
175.11189	13.8
181.12196	8.0
184.07318	13.1
193.12213	36.4
199.13338	1.5
211.13268	47.5
212.13654	2.1
215.15437	0.9
217.80096	0.9
249.15030	1.2
250.82373	1.0
255.15891	80.6
256.16211	2.6
264.74359	0.9
267.15894	25.8
268.16183	1.6
285.16928	31.6
421.25983	1.7
421.90701	1.0
447.27377	80.5
448.27982	5.1
448.32974	1.0
458.14954	1.4
465.28430	100.0
466.28714	7.7
536.47638	0.9
609.32379	1.3
662.24811	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88367	0.1
55.05512	0.2
56.05032	0.7
57.03415	0.3
58.06612	0.4
59.07388	0.2
60.08152	6.1
67.05491	0.9
69.03430	0.1
69.07055	0.5
69.39364	1.0
70.06573	0.1
71.04982	0.2
71.07362	3.0
79.05486	0.8
81.03410	0.5
81.07040	1.2
83.04967	0.2
83.08595	0.4
85.02882	0.3
85.06538	0.2
86.09689	33.6
87.10027	0.2
91.05469	0.7
93.07034	1.1
95.04954	0.4
95.08589	0.5
97.06494	0.2
97.10154	0.2
98.98444	2.5
104.10730	2.7
105.07011	0.7
107.07969	0.1
107.08569	0.7
109.06495	0.2
109.10148	0.5
119.08548	0.6
121.06367	0.1
121.10117	0.4
123.11659	0.1
124.99982	21.7
125.09612	0.2
129.06950	0.2
131.08534	0.3
133.06479	0.1
133.10120	0.4
135.08000	0.1
135.11650	0.7
137.05916	0.1
141.32173	0.1
143.01045	0.4
145.10139	0.3
147.04366	0.1
147.07982	0.1
147.11668	0.4
149.09647	0.1
149.13190	0.1
157.10129	0.3
159.06750	0.2
159.11792	0.2
160.07524	0.2
163.11179	0.1
166.02698	0.2
167.07089	0.1
172.07608	0.2
173.13220	0.1
175.11162	0.2
184.07306	100.0
185.07645	0.8
189.12756	0.1
193.12213	0.4
211.13301	0.3
224.10780	0.2
239.11766	0.1
250.12239	0.4
254.13644	0.1
255.15921	0.8
257.16479	0.2
267.15894	0.3
283.14404	0.1
285.17007	0.3
296.12839	0.2
313.11630	0.2
314.12204	0.2
323.98071	0.1
350.21100	0.2
350.30511	0.1
362.21576	0.1
373.13849	0.1
374.14310	0.1
395.21024	0.2
429.30151	0.2
443.75674	0.1
447.27020	0.5
465.28363	1.0
468.23380	0.2
616.36212	0.3
630.26056	0.3
644.35236	0.3
662.36603	16.5
663.26917	0.1
663.36926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
53.31122	1.1
53.38638	1.1
55.01865	2.8
55.05494	4.8
56.07877	1.2
57.03440	1.4
58.07375	1.0
61.79305	1.1
67.05492	7.9
68.18728	1.0
69.03412	10.2
69.07055	8.9
70.06580	1.2
71.04987	6.1
71.62769	1.5
71.63136	1.1
79.01183	1.0
79.05484	14.0
81.03403	16.5
81.07047	25.8
83.04963	11.5
83.08608	4.1
85.02890	10.4
85.06557	5.2
86.09688	3.9
91.05463	9.5
93.07030	30.9
93.07619	1.8
95.04936	10.5
95.08598	14.2
97.02870	8.0
97.06515	19.0
99.04446	10.9
103.05435	1.6
105.07020	22.0
107.04942	12.3
107.08585	21.9
108.46818	1.0
109.02865	24.9
109.06499	17.0
109.10139	6.5
111.04400	3.3
111.08054	8.4
112.07623	1.7
113.05991	2.7
115.05451	1.3
115.07533	1.6
117.07009	3.9
119.04942	2.9
119.08559	18.8
121.06487	34.4
121.10122	6.7
123.04424	3.4
123.08044	4.8
123.11694	6.4
124.99965	1.3
125.05968	9.5
127.03909	27.5
127.07533	10.3
128.06212	1.5
129.06964	2.0
131.04941	1.9
131.08530	4.4
133.06482	4.1
133.10126	11.8
135.04424	2.4
135.08043	17.2
135.11664	3.2
135.83620	1.0
137.05986	8.3
137.09569	2.2
137.13251	1.5
139.07520	12.7
140.07147	1.3
141.05440	1.7
142.07735	2.9
143.07008	9.4
143.08524	5.3
145.04958	3.9
145.06316	2.1
145.10086	7.7
147.04370	1.5
147.08020	4.0
147.11674	36.7
148.07521	1.1
149.06032	1.7
149.09601	2.4
149.13263	3.4
151.03867	2.0
151.07524	3.7
151.11168	3.6
153.01811	8.6
153.09085	2.6
154.02116	2.0
155.08502	1.4
156.09253	1.7
157.06453	1.9
157.08598	5.7
157.10104	11.6
159.08041	2.7
159.11687	2.8
161.05957	5.1
161.09633	2.8
161.13226	5.6
163.03883	1.3
163.07503	7.8
163.11246	2.2
165.05566	1.3
165.06924	1.0
165.09090	2.0
165.12758	19.4
167.07016	24.9
168.07448	1.8
169.12231	8.8
171.10266	2.6
171.11652	13.8
173.09645	3.3
173.13263	2.5
175.07579	3.2
175.11163	23.8
175.14862	1.3
177.09067	2.0
181.04945	6.2
181.08614	2.4
181.10034	2.5
182.05257	1.7
183.11787	1.1
183.13840	1.9
184.07391	11.1
184.08859	1.4
187.05957	9.3
187.11227	1.3
189.09052	3.1
189.12711	16.1
191.10596	1.5
191.14244	1.6
193.08580	4.3
193.12231	19.8
194.09001	1.7
195.10196	9.9
199.11194	15.2
201.09015	1.5
205.06993	4.5
207.13763	10.8
209.08060	1.5
209.11568	1.5
209.15254	1.8
211.09676	2.0
211.13281	15.0
213.11186	22.6
215.10580	1.4
217.08667	4.7
217.12209	50.4
219.10095	3.0
225.14700	1.1
229.14366	4.4
235.13260	61.7
251.12926	1.5
253.14320	100.0
254.14771	1.4
257.13852	2.8
269.13483	1.2
271.15375	18.6
289.16455	7.2
295.15414	2.3
301.14368	1.7
303.12238	3.4
313.16458	4.7
315.15747	1.4
319.15295	2.5
331.17535	1.6
333.16803	1.9
343.15250	5.2
361.16388	10.4
379.17477	21.6
397.18527	28.4
415.19525	13.8
417.15695	1.6
433.20441	5.8
446.29715	1.6
662.36224	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41447	0.8
53.03930	3.8
55.01864	4.3
55.05503	16.0
56.74905	0.9
57.03431	23.2
57.07056	3.4
61.02919	83.2
65.03916	1.6
67.05496	42.3
69.03420	36.6
69.07057	18.7
69.51876	7.5
70.04555	0.8
71.01339	3.4
71.04986	6.0
71.08626	1.9
73.02910	28.9
75.04459	1.9
79.05480	14.4
81.03409	25.2
81.07044	47.4
83.01333	1.8
83.04967	4.4
83.08610	11.3
85.02893	100.0
85.06551	1.9
87.04449	3.7
91.03942	59.9
91.05455	9.9
93.07037	17.1
95.04959	3.9
95.08595	38.0
97.02878	81.2
97.06511	4.5
97.10148	7.7
98.03188	0.9
99.04441	13.5
99.08060	1.7
101.02379	8.3
103.03937	10.5
105.07018	7.1
107.04935	1.6
107.08566	9.6
109.02863	13.4
109.06485	2.7
109.10134	17.2
111.04425	4.2
111.08041	2.4
111.11673	1.2
115.03913	5.8
117.05474	3.0
117.06978	2.1
119.08575	6.3
121.06530	1.0
121.10121	9.8
123.04333	0.9
123.08038	0.9
123.11715	7.3
125.09630	1.6
127.03901	35.9
127.07518	0.8
129.05446	6.7
131.08557	2.4
133.06487	0.9
133.10101	8.5
135.11674	4.9
137.13283	4.9
143.08572	1.3
145.04932	23.6
145.10115	3.3
147.06514	1.1
147.11719	5.0
149.13228	5.6
149.52977	0.8
151.11194	1.1
151.14766	1.9
159.06512	3.6
159.11734	2.4
161.13231	5.4
163.06013	8.6
163.14803	3.8
165.12680	1.0
169.10118	1.0
171.06531	4.0
171.07907	1.2
173.13261	1.4
175.11133	1.1
175.14795	3.9
177.12750	1.1
177.16347	1.7
179.14287	2.0
179.17990	1.6
183.06488	13.6
185.13258	1.0
187.14734	1.6
189.16304	1.7
201.07549	9.2
201.16478	1.1
202.95352	0.8
203.17793	1.0
207.17311	1.2
219.08534	1.6
225.60208	0.9
234.49075	0.8
241.15662	0.9
243.20999	1.2
245.22618	9.6
258.75613	0.9
261.22101	2.8
263.23672	18.5
273.22150	1.1
275.23596	1.1
287.23697	1.4
291.23114	1.0
303.22977	1.1
305.24713	1.8
317.24829	2.0
319.26257	1.2
329.24649	2.4
335.25906	2.1
337.27325	90.6
338.27609	2.7
343.26266	1.1
347.25784	2.1
353.24643	2.8
365.26715	3.3
371.25781	4.8
377.27274	1.0
379.28317	2.9
389.26831	2.6
407.27832	1.8
421.29169	1.3
427.28510	1.0
445.29242	5.4
463.30487	4.9
481.31589	15.1
494.33371	0.9
499.32413	3.5
539.38586	0.9
571.06781	0.9
661.37701	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	660.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01854	1.1
55.05260	0.5
55.05505	5.9
57.03428	4.6
57.07062	0.9
57.77572	0.4
59.94102	0.3
61.02917	2.7
64.46168	0.3
65.03913	0.5
66.92310	0.3
67.05495	27.9
68.05795	0.5
69.03434	0.7
69.06716	0.6
69.07058	8.6
71.04983	2.8
73.02890	1.1
79.05482	17.5
81.03419	2.7
81.07047	35.8
82.07351	0.4
83.04974	3.1
83.08138	0.6
83.08607	8.0
85.02896	2.9
85.06542	2.7
86.09679	1.3
91.03936	1.5
91.05471	11.1
92.05783	0.4
93.07032	27.0
94.07370	0.3
95.04955	3.1
95.08598	11.1
97.02894	1.5
97.05986	0.5
97.06521	4.7
97.10147	1.0
98.20718	0.7
99.04459	0.6
99.08074	1.1
105.06366	0.6
105.07018	6.2
107.04918	0.9
107.08577	15.1
109.06506	1.6
109.10146	3.5
111.08077	3.6
111.11680	0.4
113.09630	0.3
117.06992	6.0
119.08549	3.5
121.06506	1.4
121.10135	7.9
123.08050	0.8
123.11717	2.4
124.71799	0.3
124.99995	0.7
125.09624	0.4
128.06258	0.4
129.07025	1.6
131.08556	8.0
133.06512	0.6
133.10117	9.0
135.08040	1.5
135.11673	5.3
137.09583	0.5
139.07564	0.4
139.11148	0.5
141.06917	0.6
143.08568	1.7
145.10098	2.1
147.08064	0.4
147.11659	1.5
149.09605	0.9
149.13243	13.2
151.11188	1.1
155.08556	1.0
157.10110	1.6
159.11667	5.9
161.13147	0.4
163.11205	0.5
167.08534	0.5
169.10144	0.9
171.11688	0.9
173.13257	0.7
177.12735	2.1
181.10091	0.8
183.11673	0.9
184.07300	3.8
185.13141	0.7
187.14821	0.5
195.11926	0.6
195.13771	7.6
197.13261	0.5
199.14830	0.5
213.14836	1.0
217.15805	0.4
229.14227	0.5
233.74428	0.4
235.73251	0.4
251.16440	1.8
269.17441	27.5
270.17822	0.8
327.23505	0.4
335.23611	0.8
343.26096	0.6
353.24756	1.6
371.25879	1.0
389.26865	0.9
413.21762	0.4
427.28448	1.2
442.59656	0.4
445.23331	0.7
445.29446	12.5
446.29880	0.7
463.30499	100.0
464.30841	6.2
481.31351	0.9
607.34662	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01859	1.0
55.05506	4.9
57.03183	0.4
57.03434	6.0
57.07066	0.9
61.02922	5.9
65.03922	0.8
67.05495	26.7
68.05789	0.5
69.03429	2.5
69.07056	9.7
69.44038	1.6
69.44468	1.5
71.01356	0.3
71.04977	2.4
71.08614	0.6
73.02899	2.4
79.05483	15.8
80.05800	0.5
81.03413	1.9
81.07046	37.8
82.07369	1.0
83.04974	2.4
83.08605	8.0
85.02892	5.7
85.06525	2.3
86.03247	0.6
87.04459	0.4
88.07598	0.4
91.03946	4.5
91.04887	0.4
91.05470	9.6
93.07030	25.7
94.07343	0.8
95.04955	2.6
95.08594	10.6
96.08929	0.6
97.02885	4.9
97.06516	5.2
97.10130	0.9
98.03204	1.1
99.04433	1.1
99.08077	1.3
102.09154	0.4
103.03919	0.5
105.07016	4.0
107.04955	0.5
107.08578	15.7
108.08900	0.5
109.02848	0.5
109.06497	1.3
109.10135	2.3
111.08068	3.1
113.06023	0.5
117.07006	4.3
119.08553	1.5
121.06493	1.2
121.10121	9.5
123.08012	0.7
123.11680	2.2
125.09589	0.8
127.03878	2.0
128.04231	0.4
129.06999	0.4
131.08563	4.8
133.10112	6.3
135.08032	1.2
135.11667	5.1
139.07455	0.5
139.11127	0.7
145.04945	1.5
145.10150	0.3
147.11623	0.8
149.02330	0.4
149.09593	0.6
149.13239	14.6
151.11125	0.8
159.11664	6.1
160.11954	0.4
161.13336	0.4
163.05957	0.6
177.12701	3.0
193.04973	0.6
195.13779	7.4
213.14862	1.0
251.16327	0.8
256.26120	0.4
257.26541	0.5
261.22223	0.6
262.22397	0.6
269.17438	41.8
270.17767	1.2
335.25641	1.8
336.26117	3.3
356.02612	0.3
431.12164	0.5
445.29544	0.7
463.30493	100.0
464.30896	3.4
480.30627	0.6
569.94086	0.3
607.34949	0.8
660.36469	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	660.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01856	1.0
55.05502	5.8
57.03428	6.0
57.07064	1.5
59.05015	0.2
61.02914	1.5
65.03922	0.8
67.05492	31.8
69.03410	0.6
69.07057	10.9
69.90335	1.2
71.01353	0.3
71.04981	2.7
71.08593	0.3
73.02892	0.8
77.75366	0.2
79.05479	15.8
81.03412	1.5
81.07043	40.7
82.07381	0.7
83.04966	3.4
83.08608	8.3
85.02893	1.8
85.06521	2.9
91.03973	0.5
91.05466	9.7
93.07027	34.2
93.30048	0.2
94.07367	0.5
95.04958	2.8
95.08590	10.7
97.02872	1.0
97.06517	6.5
97.10143	1.3
99.04432	0.3
99.08076	1.9
101.76307	0.2
105.04485	0.3
105.07014	2.9
107.04973	0.4
107.08576	17.9
109.06490	1.2
109.10130	2.1
111.08063	4.6
111.11718	0.5
113.05976	0.6
113.09614	0.7
115.05424	0.3
117.07002	4.3
119.08567	1.7
119.23068	0.2
121.06483	1.1
121.10119	11.9
122.10422	0.3
123.08084	0.4
123.11697	1.2
125.05901	0.4
125.09622	0.6
126.88107	0.2
127.03824	0.3
127.07489	0.5
129.07045	0.4
131.08543	5.8
133.10115	4.7
135.08072	0.8
135.11671	5.9
139.07581	0.4
139.11128	1.1
145.10027	0.3
147.11656	1.0
149.09596	0.6
149.13234	20.4
150.13544	0.3
151.11217	0.7
155.67572	0.2
159.11653	7.6
161.13271	0.2
167.14288	0.6
177.12704	4.3
191.86015	0.2
193.12318	0.2
195.13777	6.3
196.14180	0.3
213.14763	1.3
216.83533	0.2
247.45276	0.2
251.16422	0.3
253.14389	0.6
267.15714	0.3
269.17435	52.4
270.17755	1.4
283.15369	0.3
286.02600	0.3
301.16635	0.2
390.40552	0.2
403.46033	0.3
445.29462	0.2
463.30478	100.0
464.30878	4.2
546.30688	0.3
562.37585	0.4
607.34998	0.4
646.75201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	1.4
55.01832	1.6
55.05509	6.6
55.13593	0.4
57.03431	5.3
57.07044	1.1
61.02925	3.3
61.61644	0.4
65.03909	1.1
67.05496	28.0
68.88658	0.4
69.03390	0.9
69.07061	9.9
70.06535	0.6
71.04987	2.6
71.08601	0.5
73.02859	0.7
78.81399	0.4
79.05483	17.8
81.03416	3.1
81.07047	41.7
82.07357	1.0
83.04536	0.3
83.04976	3.3
83.08611	10.1
85.02876	3.6
85.06537	1.9
88.07588	0.9
91.03899	1.5
91.05472	12.3
92.05801	0.4
93.07034	29.1
94.07322	0.6
95.04977	2.9
95.08595	9.5
97.02882	2.0
97.06516	5.3
97.10104	1.3
99.04407	0.9
99.08045	1.1
102.09157	0.6
105.04477	0.7
105.07019	5.8
107.04912	0.8
107.08580	17.0
109.02833	0.7
109.06496	1.9
109.10141	2.5
111.08054	4.0
115.05419	0.5
117.06995	5.8
119.08569	2.5
121.06462	1.8
121.10130	7.0
123.11690	3.2
125.09583	0.6
127.03844	0.6
127.07520	0.5
129.38425	0.4
130.07787	0.4
131.08553	5.4
133.10115	9.7
135.07982	1.3
135.11671	6.2
145.04947	0.5
145.10063	0.8
147.11612	1.4
149.02280	0.7
149.09584	1.0
149.13249	10.3
151.11148	1.1
159.11673	5.6
163.11116	0.7
177.12720	2.8
184.07280	0.9
186.79004	0.5
193.04916	0.5
195.12010	0.5
195.13791	9.8
213.14874	0.8
220.75827	0.4
229.51862	0.5
251.16338	2.2
255.15898	0.6
256.26376	0.7
257.26703	0.7
267.15781	0.5
269.17444	56.8
270.17813	1.9
278.74673	0.4
285.18408	0.5
297.16718	0.4
301.26730	0.5
445.29453	2.7
463.30515	100.0
464.30835	5.3
562.37939	0.5
607.34943	1.4
660.36151	3.8
661.35419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.42420	0.3
53.86660	0.3
55.01862	1.9
55.05499	1.2
57.03429	0.7
61.02909	0.7
61.09924	0.4
65.03950	0.6
67.05494	4.4
69.03432	2.1
69.07066	3.0
69.80550	0.3
71.04971	1.2
74.01431	0.4
74.06067	0.5
77.03911	0.5
79.05479	6.8
81.03410	2.9
81.07044	8.6
83.04953	2.9
83.08624	1.0
85.02890	3.5
85.06526	1.3
90.04697	0.4
91.03925	0.5
91.05463	5.2
93.07035	9.3
95.04963	3.2
95.08112	0.4
95.08594	3.8
97.02850	2.5
97.06506	4.3
99.04440	2.5
103.05452	3.4
105.07018	44.4
106.07341	0.7
107.04955	1.9
107.08577	5.2
108.04449	1.0
109.02846	4.1
109.06495	3.8
109.10157	1.7
111.04427	0.4
111.08061	2.5
113.05962	0.6
115.05443	6.7
117.07015	1.2
118.04161	2.4
119.04933	0.9
119.08531	3.2
121.02872	0.5
121.06498	6.7
121.10136	2.2
123.04457	0.6
123.08042	1.3
123.11723	2.3
125.05968	3.0
125.09612	0.4
127.03899	4.2
127.07516	1.8
131.04881	1.7
131.08568	1.7
132.05644	0.7
133.06474	46.0
133.10101	2.8
133.91977	0.3
134.06870	0.5
135.04407	0.8
135.08028	2.1
135.11664	0.7
137.05969	1.8
137.09561	0.5
137.13193	0.4
139.07521	1.9
142.07735	0.5
143.04965	0.7
143.06009	3.1
143.07040	1.6
143.08514	1.3
145.04901	0.6
145.06374	0.5
145.10077	1.7
147.04335	0.6
147.08014	1.1
147.11674	8.1
149.05951	0.7
149.09610	0.5
149.13257	1.9
151.07535	0.9
151.11124	0.9
151.22388	0.3
153.01801	1.3
153.09081	0.8
156.09315	0.4
157.08675	0.7
157.10095	2.4
159.07974	0.4
159.11658	1.9
161.05956	96.2
161.13255	1.0
162.06326	2.0
163.07442	0.4
163.11133	0.7
165.12766	3.1
167.07062	2.0
169.12212	1.7
171.11613	2.6
173.09573	0.7
173.13290	0.6
175.07550	0.6
175.11168	4.4
177.09119	0.4
177.12752	1.8
179.06958	0.5
179.14221	0.5
181.04919	1.3
181.10143	0.5
187.05974	1.2
187.11203	0.4
187.13181	0.4
189.09023	0.4
189.12706	3.0
191.07042	0.5
191.10600	0.8
193.08580	100.0
193.12149	4.7
194.08894	1.4
199.11179	3.6
204.06383	0.4
205.06982	0.8
205.08727	0.4
207.06406	0.5
207.13757	1.8
209.08070	0.7
211.09798	0.5
211.13287	3.0
217.12199	10.1
228.12148	0.5
229.14291	0.5
233.07938	0.4
235.09689	0.7
235.13252	10.2
243.15865	1.2
251.16525	0.8
252.12218	0.5
253.14330	12.6
265.25119	0.5
269.17505	6.8
271.15356	2.0
283.26208	1.5
289.16406	0.4
301.20007	1.9
361.16382	0.9
379.17465	1.3
391.23456	0.4
397.18512	2.0
398.30511	0.4
415.19656	1.0
416.15704	0.5
445.24149	1.6
475.16541	0.5
628.24799	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	30.5
57.03411	16.6
57.07043	16.6
67.05496	67.4
69.07052	33.3
71.08613	13.3
71.63303	19.0
76.32878	12.3
79.05468	45.1
81.03407	14.8
81.07047	63.8
83.08604	29.9
91.05466	35.9
93.07014	50.0
95.04958	21.8
95.08582	35.6
98.98459	40.0
105.07010	36.7
107.08590	28.6
107.57899	12.1
109.39026	12.1
117.07013	13.3
119.08554	33.7
121.10145	26.4
130.08777	10.8
131.08513	24.3
133.10133	31.9
145.10135	13.5
147.08006	13.6
147.11745	12.6
155.00954	27.8
155.66505	11.8
175.11145	14.5
213.86034	13.5
313.27142	15.9
324.19113	11.8
335.25739	19.3
343.40384	12.5
487.38348	17.4
547.39471	38.3
659.22180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01859	1.5
55.05505	7.5
57.03429	10.6
57.07068	2.5
61.02908	3.7
65.03919	0.9
67.05498	31.6
68.35036	0.6
69.03417	2.1
69.07059	9.6
70.06570	1.0
71.04974	2.4
71.08608	1.8
79.05484	18.1
81.03407	42.5
81.07049	35.5
81.07460	0.5
81.57993	0.6
83.04980	5.1
83.08128	1.1
83.08606	15.1
85.02893	3.2
85.06522	2.3
88.07614	1.3
91.03975	1.0
91.05475	15.1
92.05814	0.8
93.07031	24.6
93.07622	1.3
95.04961	15.9
95.08591	10.9
97.02867	3.4
97.06529	4.9
97.10170	1.4
98.20745	1.1
99.04432	0.8
99.08086	2.2
102.09180	1.0
105.07018	10.1
107.04939	3.9
107.08583	16.0
109.06480	3.8
109.10149	3.2
111.04433	0.6
111.08070	8.4
113.06011	0.7
115.05421	0.9
117.07004	3.9
119.08569	7.4
120.08989	0.7
121.06483	2.3
121.10132	10.1
121.11000	0.8
123.08067	1.8
123.11720	1.2
125.09630	1.9
129.07024	4.6
131.08553	8.1
133.06485	2.2
133.10123	6.4
135.08055	1.5
135.11713	4.1
137.09596	1.2
142.07787	1.7
143.08449	0.7
145.10101	2.2
147.08041	2.6
147.11673	5.2
149.02328	1.8
149.09631	4.2
149.13243	15.2
151.11177	0.7
157.10114	5.0
159.11673	6.5
163.11143	1.5
165.09224	0.8
165.12704	1.4
175.11124	4.8
177.12714	3.4
180.80417	0.7
184.07359	2.0
186.22116	1.6
193.05022	3.3
193.12239	11.8
195.13812	3.9
211.13219	1.6
229.35107	0.6
249.14874	1.6
256.26328	2.3
267.15881	52.1
269.17459	56.1
270.17865	1.2
275.20135	1.3
277.21512	0.8
291.19412	1.2
299.25870	1.6
317.27005	1.2
385.09137	1.1
417.25943	1.3
429.11932	1.5
435.27396	4.4
461.28928	100.0
462.29010	2.9
479.29849	1.6
503.29736	3.2
543.12036	0.7
557.31561	0.6
561.37634	1.3
569.31049	1.3
597.28748	0.6
622.41809	0.6
640.42438	0.8
658.35730	5.7
658.44629	1.0
659.35748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.5
55.01847	6.2
55.05504	26.8
56.96557	4.9
57.03436	17.1
57.07055	2.5
58.84353	2.1
61.02921	2.7
65.03927	3.3
67.05496	65.6
68.05825	2.9
69.03437	18.5
69.07063	21.0
70.07403	2.2
71.04987	13.7
71.62663	4.2
73.02896	2.6
77.77953	2.2
79.05486	41.9
81.03408	77.5
81.06570	4.0
81.07049	81.2
82.03732	2.7
83.04974	25.0
83.08610	34.6
85.02891	21.5
85.06534	6.2
87.04456	3.2
91.05473	40.1
93.07037	56.4
94.07344	2.7
95.04961	26.8
95.08591	30.0
96.08885	2.3
97.02874	18.2
97.06522	15.0
97.10171	10.6
98.10484	3.1
99.04454	5.3
99.08095	4.4
103.05444	2.2
105.07004	27.0
107.04918	8.0
107.08585	35.9
109.02892	10.4
109.06506	8.3
109.10153	10.1
111.04402	7.5
111.08052	14.4
117.06990	16.3
118.07351	2.2
119.08572	22.1
121.06490	6.6
121.10130	28.5
123.08023	4.2
123.11664	7.3
125.09613	8.0
127.03906	8.9
127.07491	2.2
129.05464	7.4
129.06996	12.8
130.07292	2.5
130.11296	2.2
131.08551	22.8
132.08855	2.8
133.06476	2.8
133.10106	19.4
135.08029	6.5
135.11679	12.5
137.05930	2.8
137.09592	2.8
139.11092	2.6
143.08577	6.1
145.06476	5.0
145.10104	9.2
147.08092	2.9
147.11650	18.7
149.09602	7.3
149.13246	25.1
157.10129	14.6
159.11682	14.2
163.11113	4.9
165.09058	6.1
165.12740	4.6
167.14189	2.1
169.10081	3.6
171.11694	2.5
173.04420	3.1
173.13200	2.4
175.11145	9.4
177.12718	6.6
184.07275	3.5
189.11166	2.5
191.10698	3.4
193.12228	32.8
194.08934	2.1
195.13811	9.8
201.12656	2.0
211.13281	33.3
215.14278	4.8
227.12723	7.2
229.14215	4.1
249.14833	3.1
251.16261	2.6
267.15939	28.0
269.17459	100.0
270.17697	2.8
273.14835	2.3
285.16898	18.1
297.16895	2.8
339.17999	5.0
355.17615	3.5
369.24207	3.0
395.20682	3.2
404.25089	2.3
411.19760	3.8
413.21793	9.9
429.21106	16.9
442.26828	3.1
443.27039	10.8
459.27231	4.5
460.27710	9.3
461.28836	90.2
462.29596	3.6
478.28421	10.6
479.29993	80.3
496.29987	2.6
555.60919	2.6
575.29102	5.3
587.32068	4.4
605.33380	6.0
617.30212	6.6
623.24542	2.9
623.34186	54.6
635.31055	11.7
658.33508	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	657.435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62444	2.0
53.03928	4.4
55.01860	21.3
55.05249	3.8
55.05502	43.5
56.18635	1.8
57.03437	11.9
57.07058	3.9
65.03134	2.2
65.03944	5.4
67.05495	69.6
69.03423	13.5
69.07056	42.3
71.63152	3.2
79.05478	66.2
81.03407	8.7
81.07045	72.8
83.04975	13.4
83.08605	15.9
85.06530	5.9
91.05466	54.3
93.07029	58.4
95.01358	2.0
95.04957	25.6
95.08601	37.4
97.02894	7.2
97.06508	26.9
97.10153	19.4
99.08095	3.0
103.05463	2.7
105.07011	50.5
107.04952	25.3
107.08577	45.4
109.06504	19.4
109.10141	25.0
111.04409	2.4
111.08057	5.9
113.06028	5.2
115.05447	2.6
115.39466	2.0
117.06998	21.1
119.04942	2.3
119.08565	45.4
121.06507	7.4
121.10145	20.6
123.08060	12.9
123.11696	7.3
125.09622	17.1
128.06216	3.7
129.06981	12.2
131.08543	25.8
133.06464	4.6
133.10098	35.2
135.08014	11.3
135.11649	12.4
137.09593	6.2
139.07597	2.6
141.06996	2.6
143.08551	12.8
145.06477	4.2
145.10124	21.3
147.08034	10.3
147.11668	16.8
149.09631	21.2
149.13254	6.4
151.07474	3.3
151.11188	4.3
155.07285	2.2
155.08475	4.5
157.10100	11.0
159.08003	2.6
159.11652	13.3
160.12634	2.3
160.88026	2.2
161.09612	8.4
161.13217	7.8
163.11137	10.1
165.09062	4.2
165.12715	4.9
169.10117	7.8
171.10295	3.6
171.11691	9.4
173.09526	3.7
173.11874	2.1
173.13268	7.0
175.11183	5.3
175.14810	4.7
177.12799	6.0
179.14337	3.7
181.10150	4.4
183.11705	6.9
185.13245	5.8
187.11194	3.5
187.14748	2.8
189.11211	11.0
189.12755	4.2
193.12308	2.7
195.11864	2.5
195.13629	2.6
197.13280	2.8
209.13202	2.8
212.72261	2.6
223.13156	10.2
227.12764	16.7
229.19499	3.5
231.37859	2.4
239.17961	2.7
247.20435	4.1
249.14870	3.9
253.14450	6.9
257.18964	9.0
259.20404	2.9
263.20276	2.9
267.15909	3.8
273.18472	25.5
275.20035	72.0
279.16003	3.0
291.19492	100.0
293.21088	8.0
331.22510	3.5
347.22202	7.6
349.23627	43.5
365.23187	30.7
367.25067	2.8
439.13989	3.0
441.15158	2.7
451.32181	2.4
454.16321	3.7
455.17145	3.8
467.13461	2.9
468.14145	3.6
483.16522	7.0
495.16025	2.3
510.14819	3.2
511.16025	13.9
512.16260	2.7
523.16144	5.9
524.17120	3.0
541.35333	4.5
559.36407	12.1
597.19586	7.6
598.20215	3.4
615.21124	4.7
621.41138	9.7
639.42413	66.5
657.21698	55.9
657.43707	35.8
658.22412	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95882	1.1
53.03944	6.2
55.01847	5.0
55.05504	22.2
57.03428	16.2
61.02895	2.3
65.03920	2.2
67.05494	35.1
69.03412	15.7
69.07046	10.6
69.48722	5.2
69.49147	5.9
71.04977	8.7
73.02901	2.8
79.05053	2.1
79.05482	33.8
81.03406	100.0
81.07042	43.4
82.03740	2.7
83.04973	34.0
83.07550	1.4
83.08137	1.8
83.08607	28.7
85.02424	1.9
85.02895	28.5
85.06506	4.4
91.05464	44.8
93.06476	1.6
93.07029	26.6
95.04947	32.5
95.08584	16.8
97.02883	20.7
97.06525	8.1
97.10176	8.5
99.04417	3.9
99.08081	1.5
101.02384	2.0
105.07014	35.4
107.04939	10.6
107.08589	16.7
109.02853	13.0
109.06514	10.8
109.10131	9.8
111.04430	11.8
111.08065	14.4
113.06015	2.6
115.05445	3.0
115.94843	1.3
117.06998	5.1
119.07786	2.7
119.08569	29.6
121.06485	5.1
121.10126	14.8
123.08044	4.8
123.11687	4.9
123.70769	1.5
125.09621	5.6
127.03886	9.0
128.06187	1.6
129.05482	6.9
129.06969	15.2
131.04921	2.8
131.08548	17.1
133.06453	5.3
133.10117	15.9
135.07999	4.7
135.11674	4.3
137.05939	3.7
137.09561	4.8
139.11092	1.5
140.07004	1.9
141.06953	1.6
142.07735	4.3
143.08551	3.2
144.06610	1.4
145.06439	4.0
145.10120	8.5
147.04387	2.3
147.07994	5.2
147.11659	24.0
149.09584	9.8
149.13217	3.3
151.07571	2.9
151.11150	2.1
153.01799	1.8
153.12688	2.5
155.08482	1.8
157.10104	19.5
159.11653	2.2
161.05980	3.8
161.09651	1.4
161.13171	1.6
163.11145	5.7
165.09074	5.2
165.12729	6.8
167.07039	7.1
169.10071	1.4
171.11700	2.0
173.04440	2.7
173.09515	1.6
173.13188	2.0
175.11157	23.1
177.12680	1.9
181.12151	4.3
185.13196	1.7
187.11189	1.6
189.11140	2.6
189.12697	3.0
189.16385	2.3
191.10680	2.6
193.08449	1.8
193.12221	57.8
194.12578	2.1
207.13814	1.6
211.13255	87.4
212.13559	3.5
215.14384	1.7
227.12741	7.9
229.14262	3.5
233.15341	1.6
235.13196	1.4
249.14827	2.3
265.14297	1.7
267.15866	30.5
268.16269	1.6
273.14761	2.0
283.15207	3.9
285.16885	34.1
290.40396	1.8
319.15353	2.0
337.16373	2.7
355.17645	6.1
357.27750	5.6
359.21814	1.8
367.22540	2.9
383.12234	1.5
385.23596	4.3
393.18936	2.6
403.24615	1.6
411.20044	6.5
423.27502	1.5
429.21146	9.8
431.27802	1.7
433.25845	2.5
443.27161	1.3
451.26852	4.0
457.49789	1.4
459.27246	25.3
460.27811	2.4
477.28323	27.8
478.28726	3.7
495.29449	33.3
496.30090	2.7
511.29099	1.8
585.29828	3.5
603.31451	3.7
621.32544	8.7
622.32849	2.0
628.31860	1.5
639.33557	29.0
640.34418	3.4
657.34521	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	657.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01855	4.5
55.05503	9.9
57.03416	3.1
57.07061	2.4
59.04992	2.5
59.55559	1.4
61.02891	1.3
62.60812	1.3
65.03921	2.2
67.05495	19.9
69.03417	15.1
69.07062	16.1
69.47767	10.8
71.04977	8.4
73.02928	1.6
79.05006	1.0
79.05476	23.0
81.03406	27.4
81.07045	38.3
83.04973	20.6
83.08604	7.9
85.02898	11.6
85.06526	8.7
91.05478	15.4
93.07027	50.4
94.07325	1.3
94.42770	1.1
95.04952	15.4
95.08593	47.6
97.02892	10.1
97.06512	23.7
97.10136	2.0
97.38842	1.3
98.20798	2.8
99.04433	13.9
101.06025	1.9
105.07016	35.2
107.04954	7.6
107.08579	36.0
109.02865	28.6
109.06503	24.5
109.10121	11.1
111.04424	4.2
111.08067	14.4
113.05988	4.8
115.05425	2.0
115.07564	1.4
117.06977	5.1
118.04069	1.2
119.04919	2.4
119.07787	1.1
119.08560	30.2
121.02842	3.7
121.06489	46.2
121.10122	15.3
123.04395	3.0
123.08051	20.3
123.11680	9.0
125.02343	1.4
125.05980	14.5
125.09578	3.7
127.03905	29.2
127.07545	9.0
128.06192	1.3
129.06981	4.3
131.04883	1.8
131.08574	10.0
133.06451	8.1
133.10115	20.0
135.04390	2.9
135.08034	16.2
135.10786	1.1
135.11647	6.6
137.05960	11.2
137.09621	9.2
137.13312	1.4
139.07513	13.7
139.11108	2.0
142.07774	4.4
143.06998	12.2
143.08530	8.0
145.04932	3.7
145.06429	3.3
145.10081	12.2
147.04488	1.2
147.08061	11.1
147.11673	51.4
148.12186	1.2
149.06030	2.0
149.09599	46.8
149.13237	2.8
151.03870	1.5
151.07489	5.8
151.11159	4.8
153.01796	5.4
153.09103	3.0
155.07063	1.3
155.08533	1.6
156.09320	3.2
157.06497	2.3
157.08578	7.4
157.10086	13.9
159.06581	1.4
159.08006	4.3
159.11703	4.4
161.05975	7.7
161.09608	5.5
161.13219	16.1
163.07510	2.9
163.11159	8.3
163.14761	1.7
165.09111	6.2
165.12737	24.9
167.07013	10.7
169.12242	7.9
171.07986	1.8
171.11674	16.9
173.09618	6.0
173.13216	2.9
174.10371	4.4
175.11169	27.3
177.12688	1.6
179.14197	1.7
181.10159	2.6
183.13895	2.3
185.13164	1.7
187.05971	9.7
187.11150	2.7
189.09096	3.9
189.12715	52.1
191.10672	3.4
191.14346	5.8
193.08600	1.8
193.12207	25.8
199.11174	18.6
205.07027	5.7
205.12207	2.5
207.10072	3.5
207.13782	98.5
209.08034	1.6
209.11679	1.7
209.15346	2.4
211.13261	20.4
217.12221	49.5
218.12381	1.4
219.10165	1.6
219.13586	1.8
225.14818	2.8
227.12726	1.8
229.14337	7.1
235.13260	75.2
237.11052	1.8
251.12602	1.8
253.14322	100.0
255.13998	1.6
257.13684	1.7
267.15860	2.8
271.15353	18.0
273.14938	2.5
289.16461	5.0
301.14081	1.5
313.16330	3.6
315.15912	3.3
319.15497	2.8
331.17252	2.0
333.16925	2.9
337.16397	2.1
343.15247	3.1
351.17853	1.3
361.16513	7.2
369.19122	2.7
371.39941	1.3
379.17435	15.8
385.23630	1.8
393.19226	1.7
397.18518	22.0
415.19583	7.4
433.20676	1.8
459.26999	7.1
477.28204	10.7
495.29089	1.6
603.31378	1.6
621.32086	1.9
639.23596	2.2
639.33130	2.4
657.34662	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01782	0.7
53.03934	2.1
55.01855	1.7
55.05498	4.8
57.03415	1.5
57.07056	1.5
59.04977	0.9
67.05485	8.2
69.03419	7.4
69.07060	5.1
70.75391	2.1
71.04985	4.0
79.05479	8.6
81.03398	10.6
81.07044	15.2
83.04955	7.5
83.08615	2.2
85.02883	6.3
85.06512	5.1
91.05458	7.5
93.07020	21.2
95.04951	5.7
95.08587	18.3
97.02861	5.0
97.06504	10.7
99.04436	6.4
105.07014	18.0
107.04929	2.6
107.08575	19.3
109.02853	13.0
109.06494	11.5
109.10129	3.4
111.04431	1.1
111.08053	5.9
113.05973	3.1
117.06976	1.0
119.04923	1.9
119.08556	15.4
121.06481	21.0
121.10123	8.0
123.04436	1.2
123.08041	14.2
123.11691	6.0
125.05954	5.3
125.09675	0.9
127.03897	14.2
127.07548	4.1
128.06252	1.0
129.06982	2.6
131.08540	5.4
133.06485	2.9
133.10095	9.3
135.04430	1.1
135.08032	7.9
135.11673	3.0
137.05934	3.8
137.09576	3.2
139.07501	5.6
141.05481	1.1
142.07774	1.4
143.07028	5.0
143.08534	4.6
145.04901	1.6
145.10074	5.4
147.08018	5.8
147.11661	26.0
149.09593	60.8
149.13237	1.5
150.09943	1.9
151.07513	2.8
151.11217	1.9
153.01781	2.8
153.09055	1.7
156.09325	3.0
157.08629	3.2
157.10101	7.6
159.08037	2.9
159.11662	1.2
160.08662	0.7
161.09601	1.8
161.13234	10.0
163.07399	1.0
163.11179	2.2
165.09132	1.7
165.12724	12.4
169.12204	3.7
171.08005	1.0
171.11671	10.9
173.09610	2.1
173.13177	1.1
174.10397	4.0
175.07469	1.2
175.11134	13.5
181.10083	1.1
181.12245	1.2
187.05962	4.7
187.07462	0.8
189.09081	1.1
189.12704	35.1
190.13095	1.9
191.14259	1.9
193.12204	11.3
199.11153	8.2
205.06973	3.7
205.12238	0.9
207.13762	100.0
208.14081	4.1
211.13275	10.3
217.12192	27.5
229.14345	2.7
235.13243	39.0
236.13574	1.8
253.14305	44.7
254.14665	1.7
271.15314	5.4
273.14938	1.1
289.16422	1.1
295.15417	1.1
297.14716	1.0
313.16394	1.5
319.15414	1.4
333.17029	1.2
343.15253	1.7
361.16373	3.3
379.17374	7.0
397.18423	8.3
398.54718	1.0
415.19647	3.4
621.32568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01859	4.0
55.05494	5.6
57.03411	2.4
59.04973	3.2
62.78306	1.2
67.05495	12.1
68.64123	1.1
69.03413	12.4
69.07048	12.2
69.61201	10.0
71.04965	5.6
79.05487	14.8
81.02967	1.6
81.03400	14.8
81.07039	29.7
83.04954	13.3
83.08599	3.0
85.02887	11.4
85.06519	5.0
91.05453	12.0
93.06458	2.7
93.07025	38.5
95.04949	12.8
95.08585	21.7
95.26775	1.2
97.02881	6.5
97.06510	22.1
98.21474	1.7
99.04436	11.9
101.05989	1.9
105.07003	31.2
107.04933	4.6
107.08575	33.4
109.02859	25.6
109.06501	23.7
109.10139	11.6
111.04416	2.8
111.08065	11.5
113.05977	3.3
113.64139	1.2
117.06998	2.7
119.04915	1.7
119.07772	2.4
119.08555	22.6
121.05641	2.2
121.06484	41.7
121.10126	9.2
123.08038	12.9
123.11697	8.9
125.05975	12.1
127.03887	27.5
127.07498	7.3
128.06207	1.5
129.06940	3.2
131.08540	5.0
133.06459	4.1
133.10110	14.6
135.04404	2.2
135.08026	15.6
135.11658	6.8
137.05957	5.6
137.09590	25.7
137.13246	2.4
139.07521	14.0
141.05429	2.1
142.07730	3.2
143.07030	9.4
143.08553	5.9
145.04897	1.9
145.10081	8.5
147.08022	5.3
147.11662	43.3
149.09575	8.5
149.13261	4.2
151.03918	3.1
151.07535	2.2
151.11134	2.8
153.01790	10.6
153.09094	4.7
157.08580	6.2
157.10085	11.6
159.06560	1.6
159.08081	2.5
159.11739	2.1
161.06006	1.7
161.09593	2.4
161.13237	12.9
163.11140	5.0
165.09097	7.9
165.12729	21.2
166.07721	1.9
169.12230	8.3
171.11652	13.1
173.09607	2.5
173.13318	2.2
175.07632	1.6
175.11160	27.1
181.10147	3.1
183.13739	1.6
187.05992	8.2
189.09059	1.4
189.12682	23.9
191.10672	1.8
191.14378	1.6
193.12213	23.9
199.11154	15.8
205.07024	7.0
207.13760	30.2
209.15347	2.2
211.13225	18.5
215.10536	1.6
217.12196	53.1
225.14796	5.1
225.91881	1.4
229.14287	6.8
235.13240	80.0
236.13635	2.2
248.33907	1.2
253.14304	100.0
254.14661	1.8
257.13663	2.5
271.15353	15.5
289.16400	5.1
295.15302	3.9
313.16425	3.6
315.15784	2.2
319.15414	2.7
331.17270	1.6
337.16412	1.9
343.15268	4.9
361.16449	8.2
379.17453	15.0
397.18506	23.0
415.19452	7.5
433.20239	3.1
570.06683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
55.05505	17.5
57.03420	2.4
58.45795	0.4
61.02909	1.7
65.03925	0.9
67.05498	14.8
69.03420	2.9
69.07065	4.5
70.56213	1.1
70.56612	0.9
71.04981	1.1
79.05479	14.4
81.03398	3.6
81.06571	0.7
81.07050	13.7
82.07381	0.6
83.04967	2.6
83.08605	10.8
85.02888	2.2
85.06524	0.9
91.05470	14.0
93.07028	9.5
95.04946	2.8
95.08599	5.3
97.02885	1.9
97.06532	1.2
97.09528	1.0
97.10159	20.4
99.04454	0.4
99.08081	0.9
99.58624	0.4
103.05450	7.8
105.07019	12.6
107.04906	2.1
107.08582	9.6
109.06523	1.3
109.10136	4.0
111.04443	0.5
111.08054	1.2
115.05452	2.7
117.07005	22.4
119.04971	0.5
119.08556	6.7
121.06518	1.6
121.10123	2.8
123.08054	1.5
123.11690	0.7
125.09613	16.3
125.83090	0.5
127.03898	0.7
128.06207	1.5
129.06981	10.2
131.04916	0.9
131.08551	15.8
133.06470	3.8
133.10130	3.1
135.08037	4.5
135.11687	1.1
137.09618	1.1
141.06952	4.3
142.07777	0.8
143.04924	0.6
143.08548	5.4
143.10631	1.2
145.06458	5.1
145.10107	5.8
147.08051	1.7
147.11697	1.6
149.09570	2.6
153.06989	1.1
153.09087	1.6
154.07733	1.0
155.08545	6.1
156.09346	0.5
157.06459	2.2
157.10124	2.7
159.08061	2.5
159.11658	2.0
161.09668	0.7
163.11197	1.1
165.07014	0.8
165.09148	0.5
167.08562	1.6
168.09381	0.5
169.10124	4.9
171.08054	1.9
171.10233	0.9
171.11685	2.6
173.09595	1.5
173.11861	0.5
173.13254	1.8
175.11174	0.7
177.12759	0.6
179.08669	0.8
181.06528	0.4
181.10193	1.2
182.10867	0.8
183.08051	0.9
183.11714	1.5
185.09596	0.9
185.13254	1.6
187.14825	4.6
189.11206	7.0
189.12698	0.9
193.10104	1.0
193.12141	0.7
195.11740	2.3
197.13243	6.9
199.11163	0.7
201.12743	0.7
203.14264	0.5
205.10095	0.6
207.11670	1.1
209.09628	0.6
209.11528	0.6
209.13336	1.1
213.12749	1.7
215.14285	24.6
219.11794	0.9
221.13472	0.9
223.11157	1.1
223.14745	0.9
225.12823	0.6
227.12712	12.5
231.13805	1.1
233.15306	0.8
235.14786	0.6
237.12660	1.1
239.14314	0.6
241.12254	1.3
241.15846	0.6
245.13673	1.0
246.00931	0.5
255.13870	0.7
257.15329	0.7
267.16031	0.6
269.15347	1.3
271.16916	1.7
273.14957	0.6
283.15341	0.6
287.16422	0.7
289.17877	0.9
303.21039	0.5
321.22104	1.3
331.20569	0.9
339.23178	1.9
349.21606	3.4
354.08890	0.5
357.24268	0.9
367.22623	8.3
385.23798	5.6
403.24866	2.5
423.25424	1.1
431.27866	0.5
441.26318	44.8
442.26447	1.2
459.27359	100.0
460.27521	2.9
462.28769	0.5
477.28397	12.1
603.31244	0.5
621.32495	0.8
656.33588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06138	0.6
55.01862	1.3
55.05505	5.6
57.03431	3.5
57.07069	36.5
59.56705	0.5
61.02920	7.7
67.05495	12.7
69.03410	2.4
69.07055	6.8
69.97267	3.7
71.04984	1.1
71.08623	29.1
73.02908	2.5
75.04474	2.3
78.53493	0.6
79.05484	3.9
81.03403	2.8
81.07046	19.5
83.04975	1.3
83.08606	10.5
85.02891	9.9
85.06554	0.7
85.09641	0.8
85.10168	16.0
89.06002	1.1
91.03951	10.2
91.05451	5.1
93.07024	3.7
95.04950	1.5
95.08594	25.0
97.02874	4.6
97.06531	1.2
97.10164	6.5
99.08015	0.8
99.11700	1.9
105.07002	3.3
107.04945	1.1
107.08583	2.9
109.02855	0.7
109.06474	0.9
109.10146	11.2
111.11691	1.9
115.97154	0.7
117.07001	1.0
119.08571	2.3
121.10133	1.6
123.08141	0.7
123.11691	4.2
125.09576	1.4
127.03905	3.7
129.07010	0.9
131.08540	2.2
132.95656	0.6
133.10107	2.4
135.11810	0.7
137.09612	1.2
137.13225	2.5
145.04935	4.6
145.10121	1.3
147.11647	1.7
149.09599	1.1
157.10062	0.8
159.11755	1.7
161.13208	0.7
163.05983	6.0
163.11211	0.7
171.11595	0.8
177.12602	0.8
204.08517	0.6
208.55486	0.7
221.22659	1.5
239.23662	23.6
257.24731	3.8
273.18515	1.3
275.19952	1.0
291.19556	1.8
298.27393	1.7
313.27322	100.0
314.27689	1.7
331.28387	22.6
347.22061	0.8
437.03772	0.7
437.90393	0.6
457.31818	0.8
475.26663	0.8
475.32690	2.5
543.36505	0.8
614.11072	0.7
637.40198	2.0
655.41180	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.0
55.01860	7.8
55.05502	23.2
57.03429	11.7
57.07068	2.8
59.04986	2.3
65.03929	3.0
67.05495	67.6
69.03420	19.3
69.07056	14.6
71.01325	2.5
71.04980	45.5
73.02905	1.7
79.05482	42.8
81.03407	100.0
81.07045	94.5
82.03719	1.6
82.07417	1.4
83.04971	22.7
83.05441	1.5
83.08610	28.4
85.02885	21.0
85.06532	12.9
87.04463	2.3
91.05467	54.8
91.34351	1.2
93.07029	37.6
95.04963	27.4
95.08595	29.6
97.02888	17.0
97.06520	13.6
97.10155	8.8
99.04436	6.0
99.08112	2.2
105.07018	35.0
107.04936	12.3
107.05500	1.3
107.08580	28.9
107.09279	2.0
109.02866	20.6
109.06481	9.6
109.10130	14.2
111.04441	12.3
111.08070	9.2
113.06064	1.5
115.05467	1.3
117.06992	6.7
119.04958	2.7
119.08562	24.9
121.06512	4.9
121.10124	15.0
123.04445	3.7
123.08065	6.2
123.11701	17.4
125.06071	1.5
125.09593	6.2
127.03925	10.4
129.05476	4.6
129.06985	12.4
131.04918	2.3
131.08556	16.1
133.06500	3.6
133.10121	26.8
135.08037	2.3
135.11681	7.3
137.05981	2.6
137.09651	3.0
137.13223	1.3
143.08572	3.4
145.06500	2.4
145.10109	7.9
147.04372	1.2
147.08040	5.2
147.11668	23.9
147.12762	1.8
149.05992	2.5
149.09595	6.0
149.13210	8.1
151.11176	8.6
153.12767	2.1
155.08554	2.3
157.10127	13.6
159.11653	12.1
161.06007	1.6
161.09688	2.7
161.13257	2.9
163.11215	4.9
165.09161	2.1
165.12718	6.8
169.10133	1.8
169.12323	2.5
171.06557	1.8
171.11739	2.6
173.04494	9.8
173.05893	1.9
173.09683	1.7
173.13310	4.9
175.11154	12.9
177.12770	5.3
183.11722	2.0
183.13907	3.8
185.13333	2.8
187.11760	1.7
187.13335	10.7
187.14859	3.6
189.11302	2.1
189.12819	1.9
191.10733	3.8
193.12225	29.2
195.13893	5.7
197.13235	2.6
199.14847	6.6
201.09224	1.6
201.13016	1.8
201.14899	5.1
209.11714	2.6
211.13257	41.3
215.14404	2.0
219.13872	1.4
225.14742	2.0
227.12865	5.8
229.14360	2.9
230.00125	1.4
235.13303	2.3
239.14275	1.7
243.15958	2.5
247.13249	1.2
249.14767	1.6
257.17545	3.5
261.14896	1.4
267.15875	26.3
267.18433	1.5
268.16132	1.4
269.17450	8.0
273.15027	1.6
283.15509	3.6
285.17218	6.3
295.50562	1.6
299.18628	4.8
301.14377	4.1
301.20084	3.0
303.16068	1.5
319.15546	2.0
337.16562	1.8
339.18173	5.0
343.22614	2.0
351.17590	1.3
375.18066	2.1
377.19519	1.3
393.19168	3.3
395.20929	4.5
399.24475	1.5
409.34866	2.2
411.20502	3.8
417.26700	3.7
421.34842	5.7
427.23358	2.1
435.27426	18.4
439.35834	6.5
443.28311	2.8
445.24536	2.9
453.28424	15.7
457.36777	2.4
461.28934	25.2
467.29913	11.3
468.30530	1.6
475.38000	2.3
477.28589	2.2
479.29959	8.5
493.27975	1.8
493.32281	1.9
495.29651	1.6
511.32623	15.3
519.29688	1.5
527.31323	1.8
543.29529	1.7
559.32031	1.5
561.30566	2.6
569.31653	2.6
579.32288	2.0
587.32568	3.1
605.32855	6.0
611.34125	2.7
619.35193	1.5
623.34174	17.5
632.29114	1.9
637.35577	7.0
655.36896	52.0
656.37030	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	655.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03937	7.9
55.01867	14.4
55.05262	1.8
55.05504	25.4
57.03181	1.3
57.03430	18.0
57.07071	7.4
59.04971	2.8
60.31136	1.1
60.48909	1.1
61.02878	1.8
65.03935	5.1
67.05495	51.2
69.03419	29.9
69.07053	15.6
69.59167	2.5
69.59586	6.2
70.15597	1.0
71.01329	2.8
71.04980	9.8
73.02901	4.7
73.13000	1.0
76.51187	0.9
79.05486	37.5
81.03407	100.0
81.07044	51.3
82.07376	1.1
83.04975	23.2
83.08604	23.3
85.02887	24.9
85.06519	4.7
87.04443	1.8
91.05468	45.1
93.06472	1.7
93.07031	34.9
95.04351	2.1
95.04955	33.4
95.08591	26.3
97.02271	1.7
97.02881	33.6
97.06535	11.0
97.10159	10.7
99.04440	7.9
99.08055	3.7
101.02370	2.2
103.03888	1.2
103.05418	1.7
105.07018	30.9
107.04940	15.6
107.08582	22.7
109.02870	15.3
109.06513	7.5
109.09441	1.8
109.10137	23.0
111.04430	14.2
111.08054	12.1
113.05968	2.1
115.03897	4.4
115.05424	2.6
117.07018	7.9
119.04897	3.0
119.08568	28.1
121.06496	7.0
121.09294	1.6
121.10122	21.2
122.03624	1.2
123.04401	4.1
123.08039	6.9
123.11688	7.1
125.05957	2.5
125.09603	8.7
127.03909	11.4
127.07491	1.6
127.11159	2.9
128.06186	1.8
129.05441	2.8
129.06982	11.9
131.03508	1.4
131.04901	3.5
131.08557	16.4
133.06465	4.8
133.10103	14.2
135.04378	4.3
135.08025	4.9
135.11662	10.3
137.05974	17.7
137.09605	5.2
137.13220	2.3
139.11153	2.0
141.06924	1.3
142.07765	1.3
143.03380	2.0
143.08527	3.8
145.04929	1.8
145.06450	2.8
145.10121	9.5
147.04396	5.7
147.08041	6.4
147.09047	1.2
147.11674	21.6
148.11934	1.1
149.05972	1.6
149.09593	9.3
149.13200	2.9
151.03854	4.0
151.07507	2.0
151.11130	1.7
153.01801	4.1
153.05411	3.1
153.09039	1.2
153.12761	5.2
155.08495	2.1
157.06505	1.5
157.08742	1.8
157.10100	11.6
159.08043	2.0
159.11653	4.0
161.05975	2.8
161.09604	4.1
161.13168	1.3
163.07503	1.7
163.11166	12.7
165.05460	1.5
165.09096	10.4
165.12695	5.6
167.07042	9.8
167.10667	1.6
169.10114	1.9
171.06519	2.5
171.07938	1.4
171.10332	1.5
171.11650	2.4
173.04451	6.7
173.09595	4.7
173.11668	2.9
173.13040	1.9
175.07526	1.9
175.11148	15.3
175.14899	1.6
177.09024	1.7
177.12674	1.7
179.07047	1.3
181.04829	1.6
181.12206	5.3
183.52257	1.1
184.07373	2.1
185.07974	1.3
185.13264	1.2
187.07399	1.3
187.11108	3.2
187.14867	1.4
189.09065	1.8
189.11230	2.4
189.12735	3.8
191.10654	6.7
193.12219	38.3
197.09639	1.3
197.13232	1.4
199.06003	2.3
199.13248	1.4
203.10638	1.4
205.12192	3.9
207.13705	2.2
209.11691	10.4
209.13434	1.8
211.13255	44.2
211.15253	2.4
215.10695	1.6
217.12224	1.2
219.13760	1.1
223.13222	2.0
227.12692	12.2
229.12271	1.7
229.14288	7.3
235.13176	1.8
247.13385	2.0
249.14742	2.7
255.16006	2.3
265.14349	1.8
267.15872	18.0
269.13651	1.4
273.14792	2.1
283.15323	10.4
285.16992	7.9
289.14334	3.1
301.16492	3.8
305.24652	1.8
307.15408	1.5
325.16180	1.4
337.16287	2.5
353.15961	2.3
355.17413	2.2
393.18945	1.4
409.18570	1.6
409.25278	1.4
411.20114	1.5
421.25769	4.7
427.19110	2.4
439.26688	5.2
445.20248	1.7
457.25806	1.8
457.32596	1.6
465.27875	1.3
475.26718	9.1
493.27765	9.4
495.29257	1.8
511.28665	3.6
583.30127	2.0
619.30939	3.0
637.32208	8.5
638.32513	1.6
655.33093	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	655.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96667	0.7
53.03933	5.7
55.01864	13.5
55.05502	26.4
57.03427	20.8
57.07063	6.6
59.04990	2.1
61.02909	1.6
65.03928	3.4
66.04718	0.7
67.05493	58.9
69.03420	34.5
69.03803	1.5
69.07055	14.6
69.39231	7.6
69.79459	0.7
71.01351	4.3
71.04979	9.0
73.02901	6.9
77.03918	1.5
79.05479	41.5
81.03405	100.0
81.07045	44.1
83.01325	1.4
83.04469	1.3
83.04968	24.9
83.08604	26.2
85.02888	30.6
85.06516	4.8
87.04466	1.2
91.05465	46.4
93.07024	33.3
94.04150	1.0
95.01308	1.0
95.04949	34.9
95.08585	19.4
95.09155	1.4
97.02876	30.7
97.06520	8.3
97.10152	10.8
98.07281	1.1
99.04448	7.6
99.08091	2.8
101.02397	1.8
103.05466	1.3
105.04491	1.3
105.07014	30.3
107.04939	16.5
107.08575	16.0
109.02864	14.1
109.06499	9.2
109.10139	23.9
111.04422	14.1
111.08058	12.7
113.06001	2.6
115.03899	5.0
115.05376	1.6
116.61889	0.7
117.06993	9.3
119.04944	3.3
119.08562	25.9
121.06474	6.0
121.10123	16.5
123.04393	6.0
123.08076	4.5
123.11665	5.6
125.02324	1.3
125.05986	2.3
125.09592	10.5
127.03906	9.1
127.07569	1.1
127.11172	1.8
128.06215	1.9
129.05499	3.7
129.06982	13.0
131.03398	1.5
131.04932	1.8
131.08546	17.0
133.06467	4.9
133.10107	16.1
135.04419	5.5
135.08044	4.2
135.11678	8.8
137.05988	2.2
137.09596	4.9
139.03899	1.3
139.07532	1.3
139.11169	1.1
141.06967	1.3
142.07758	2.8
143.03397	3.2
143.08572	1.9
145.04964	1.2
145.06477	2.5
145.10103	9.6
147.04372	5.3
147.08015	4.5
147.11667	16.6
149.05925	1.9
149.09592	9.0
149.13248	1.7
151.03926	1.5
151.11217	2.1
153.01807	1.0
153.05396	3.5
153.09142	1.4
153.12727	4.9
155.08533	2.2
155.10670	1.4
157.08763	1.5
157.10103	13.0
159.04469	0.7
159.08092	1.5
159.11685	2.0
161.06001	1.3
161.09625	2.8
161.13254	1.3
163.07565	0.9
163.11163	10.1
165.09135	3.1
165.12730	4.2
167.07082	0.9
169.10164	1.3
171.06531	2.3
171.11705	2.4
173.04482	7.2
173.05899	1.5
173.09598	2.2
173.11719	4.5
173.13100	1.0
175.11163	14.4
177.09143	1.6
177.12715	1.3
181.05000	1.0
181.10818	0.8
181.12206	5.1
183.06506	2.1
183.11693	1.2
187.11208	2.2
189.09146	0.9
189.11230	4.3
189.12762	2.2
191.10611	6.2
193.12215	39.0
197.13350	1.0
199.06026	3.9
199.11414	1.4
199.13301	2.5
201.14864	1.8
203.10759	1.1
203.14314	0.8
205.12212	2.0
207.13741	1.1
209.11647	9.2
209.13329	1.0
211.13252	42.7
213.12759	1.0
217.07170	0.9
217.12321	0.9
217.14346	1.2
223.13205	1.9
225.12830	1.1
227.12721	11.3
227.14552	1.0
229.14284	12.6
235.13312	2.3
243.13667	0.8
247.13347	1.0
249.14868	1.9
255.15894	1.9
261.14896	1.0
265.14301	1.1
267.15891	14.4
271.13431	1.6
273.14853	1.3
277.14340	1.7
279.15988	1.0
283.15417	6.3
285.16898	10.8
289.14377	3.1
295.15594	1.1
301.16473	2.5
307.15439	1.6
313.16547	1.5
319.15411	1.0
325.16562	1.3
337.16370	1.8
339.23511	0.8
353.15912	2.3
355.17627	1.5
383.22012	1.2
393.19022	0.9
401.23065	1.6
409.18420	1.4
409.26224	1.8
411.20187	2.3
421.25656	9.9
427.19714	3.2
427.27164	1.2
439.26767	11.1
445.20285	0.9
447.27643	1.3
463.26239	0.9
475.26627	5.7
477.28632	1.8
483.22617	1.0
493.20490	1.0
493.27939	8.7
495.29675	1.6
511.29181	1.7
581.29565	0.9
583.30255	1.0
601.29480	0.8
619.31305	2.0
637.31860	8.4
638.32666	1.1
655.33063	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	653.3518
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03930	9.0
55.01866	6.9
55.05502	19.5
57.03429	14.3
57.04491	1.4
61.02889	1.7
65.03917	4.4
67.05494	52.0
68.05817	2.1
69.03415	16.3
69.07063	11.8
69.72395	10.6
71.01302	1.5
71.04968	8.3
77.03880	1.3
79.05477	65.2
81.03403	97.8
81.07043	50.6
81.60181	1.2
83.04966	28.7
83.08604	25.1
85.02889	15.9
85.06503	3.3
87.08022	1.7
91.04893	3.1
91.05464	58.7
93.07025	57.3
95.04949	36.5
95.08589	22.5
97.02873	19.1
97.06509	5.1
97.10162	6.3
99.04430	5.6
99.08104	1.5
103.05477	2.9
105.04517	1.7
105.07011	47.9
107.04926	10.4
107.08571	21.7
109.02859	8.9
109.06484	8.2
109.10145	8.6
111.04423	10.2
111.08073	9.3
113.05955	2.0
115.05391	2.8
117.06998	10.2
119.08564	33.8
119.09441	1.8
121.06477	4.3
121.10120	10.8
123.08037	5.5
123.11687	2.7
125.09586	4.4
127.03906	6.9
127.07555	2.1
128.06203	2.2
129.05463	4.3
129.06989	21.4
131.08540	15.2
132.10760	1.5
133.06464	4.7
133.10101	15.7
135.08057	2.6
135.11664	3.2
137.09622	1.7
142.07765	3.1
143.08563	9.8
145.10069	13.3
147.08031	4.5
147.11658	42.3
149.09579	7.1
149.13193	1.6
151.11121	2.3
155.08490	1.9
157.10046	9.5
159.11661	2.1
161.09622	4.8
161.13242	9.4
163.11148	5.1
165.12708	3.9
167.08449	1.4
171.00426	1.3
171.07932	1.8
171.11632	16.3
173.04424	2.8
173.09653	2.5
175.11153	14.7
181.12163	3.1
189.12721	9.2
191.10710	2.7
193.12207	32.7
207.13753	21.8
211.13245	41.6
227.12810	4.5
229.14398	2.1
249.14821	2.9
267.15869	37.4
277.77179	1.5
281.17416	60.1
285.16891	15.0
287.16296	2.3
331.55414	1.4
337.16672	1.9
355.17529	2.7
411.20264	4.5
425.21408	2.7
429.21155	20.5
436.03952	1.4
473.28922	100.0
474.29257	1.8
491.29852	23.8
519.37268	1.5
617.33173	2.6
635.34100	57.0
636.34705	2.6
653.33667	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	653.3517
Annotation	Withanoside III
Peak:m/z	Relative Intensity
51.02367	0.9
53.03937	9.6
55.01871	11.4
55.05503	28.4
57.03430	14.1
57.07056	3.7
59.04998	2.4
65.03934	3.8
67.05495	59.2
69.03069	1.6
69.03423	24.9
69.07054	17.5
69.51270	7.4
71.01331	2.5
71.04974	12.0
73.02912	1.7
79.05482	69.4
80.05824	1.8
81.03407	100.0
81.07045	59.4
81.07434	0.9
82.03744	1.3
83.01328	2.0
83.04971	36.1
83.08607	25.5
85.02415	1.8
85.02895	22.2
85.06523	4.2
85.44353	1.0
87.04453	2.4
91.05468	62.7
93.07030	60.3
95.04956	41.7
95.08595	30.6
97.02873	22.4
97.06511	9.5
97.10149	11.3
99.04425	6.1
99.08096	2.6
101.02376	1.9
103.05439	1.1
105.07014	48.9
106.07381	1.5
107.04937	16.7
107.08578	23.6
108.08904	1.3
109.02876	15.8
109.06509	11.0
109.10143	13.3
111.04424	11.9
111.08076	10.9
113.06009	2.3
115.03924	2.2
115.05443	3.0
117.07008	12.6
119.04940	1.7
119.08564	37.9
120.08920	1.0
121.06499	8.9
121.10130	18.1
123.04441	5.0
123.08064	10.4
123.11691	4.1
125.05965	1.4
125.09615	10.2
127.03889	10.7
127.07535	1.8
128.06175	2.9
129.05504	4.8
129.06973	19.6
131.04916	1.4
131.08553	18.9
133.06474	5.4
133.10124	18.3
134.10437	1.3
135.04425	1.8
135.08037	4.4
135.11671	11.3
137.05977	2.6
137.09608	4.7
139.11258	1.7
141.06981	2.0
142.07774	3.6
143.08539	9.4
145.06468	3.8
145.10092	14.3
146.10556	1.1
147.04388	3.4
147.08041	6.6
147.11676	34.0
148.12016	2.1
149.05980	2.1
149.09602	7.6
149.13261	1.9
151.11156	1.9
153.01756	1.1
153.05467	2.0
153.09097	2.2
153.12735	5.2
155.08569	4.2
157.06490	1.0
157.10110	11.9
159.07999	1.2
159.11662	4.0
161.05991	1.6
161.09592	4.2
161.13245	6.9
163.11159	11.3
165.05507	1.4
165.09097	6.3
165.12769	2.6
167.06975	2.0
169.10089	1.7
171.07976	2.0
171.11671	15.3
173.04434	3.8
173.09587	2.5
173.11850	1.1
173.13206	2.3
175.11148	14.9
175.14856	1.9
177.12665	1.6
179.10616	1.3
181.10120	1.0
181.12204	5.4
183.06480	1.7
185.13274	1.8
187.11195	2.6
189.09274	1.4
189.11185	2.8
189.12746	5.8
189.16351	1.2
191.10641	4.2
193.12213	30.3
201.16414	1.1
203.14337	1.6
205.12199	1.5
207.13751	17.8
209.10016	1.1
209.11635	6.5
211.13252	34.7
212.13658	1.4
213.16582	1.0
223.13297	3.1
225.14699	1.5
227.12703	10.6
228.13155	1.3
229.14305	3.5
235.13173	1.4
246.58571	1.1
249.14844	2.4
267.15878	27.2
268.16293	1.6
269.15277	1.4
273.15002	1.6
281.17441	47.7
282.17798	1.2
283.15372	6.1
285.16959	11.0
287.16391	2.8
337.16504	1.0
353.15921	2.3
355.17569	3.3
389.19330	1.1
399.69400	1.2
411.20346	2.1
421.25842	1.2
429.21204	14.3
437.24994	1.3
445.29541	1.3
468.90823	1.0
473.28964	74.4
474.29248	4.0
491.30258	17.3
553.31030	1.7
571.31726	1.6
581.30542	1.2
595.31812	1.3
617.32831	2.3
635.34161	38.7
636.33905	3.5
653.32245	18.4
654.30731	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.9
53.03937	9.6
55.01871	11.4
55.05503	28.4
57.03430	14.1
57.07056	3.7
59.04998	2.4
65.03934	3.8
67.05495	59.2
69.03069	1.6
69.03423	24.9
69.07054	17.5
69.51270	7.4
71.01331	2.5
71.04974	12.0
73.02912	1.7
79.05482	69.4
80.05824	1.8
81.03407	100.0
81.07045	59.4
81.07434	0.9
82.03744	1.3
83.01328	2.0
83.04971	36.1
83.08607	25.5
85.02415	1.8
85.02895	22.2
85.06523	4.2
85.44353	1.0
87.04453	2.4
91.05468	62.7
93.07030	60.3
95.04956	41.7
95.08595	30.6
97.02873	22.4
97.06511	9.5
97.10149	11.3
99.04425	6.1
99.08096	2.6
101.02376	1.9
103.05439	1.1
105.07014	48.9
106.07381	1.5
107.04937	16.7
107.08578	23.6
108.08904	1.3
109.02876	15.8
109.06509	11.0
109.10143	13.3
111.04424	11.9
111.08076	10.9
113.06009	2.3
115.03924	2.2
115.05443	3.0
117.07008	12.6
119.04940	1.7
119.08564	37.9
120.08920	1.0
121.06499	8.9
121.10130	18.1
123.04441	5.0
123.08064	10.4
123.11691	4.1
125.05965	1.4
125.09615	10.2
127.03889	10.7
127.07535	1.8
128.06175	2.9
129.05504	4.8
129.06973	19.6
131.04916	1.4
131.08553	18.9
133.06474	5.4
133.10124	18.3
134.10437	1.3
135.04425	1.8
135.08037	4.4
135.11671	11.3
137.05977	2.6
137.09608	4.7
139.11258	1.7
141.06981	2.0
142.07774	3.6
143.08539	9.4
145.06468	3.8
145.10092	14.3
146.10556	1.1
147.04388	3.4
147.08041	6.6
147.11676	34.0
148.12016	2.1
149.05980	2.1
149.09602	7.6
149.13261	1.9
151.11156	1.9
153.01756	1.1
153.05467	2.0
153.09097	2.2
153.12735	5.2
155.08569	4.2
157.06490	1.0
157.10110	11.9
159.07999	1.2
159.11662	4.0
161.05991	1.6
161.09592	4.2
161.13245	6.9
163.11159	11.3
165.05507	1.4
165.09097	6.3
165.12769	2.6
167.06975	2.0
169.10089	1.7
171.07976	2.0
171.11671	15.3
173.04434	3.8
173.09587	2.5
173.11850	1.1
173.13206	2.3
175.11148	14.9
175.14856	1.9
177.12665	1.6
179.10616	1.3
181.10120	1.0
181.12204	5.4
183.06480	1.7
185.13274	1.8
187.11195	2.6
189.09274	1.4
189.11185	2.8
189.12746	5.8
189.16351	1.2
191.10641	4.2
193.12213	30.3
201.16414	1.1
203.14337	1.6
205.12199	1.5
207.13751	17.8
209.10016	1.1
209.11635	6.5
211.13252	34.7
212.13658	1.4
213.16582	1.0
223.13297	3.1
225.14699	1.5
227.12703	10.6
228.13155	1.3
229.14305	3.5
235.13173	1.4
246.58571	1.1
249.14844	2.4
267.15878	27.2
268.16293	1.6
269.15277	1.4
273.15002	1.6
281.17441	47.7
282.17798	1.2
283.15372	6.1
285.16959	11.0
287.16391	2.8
337.16504	1.0
353.15921	2.3
355.17569	3.3
389.19330	1.1
399.69400	1.2
411.20346	2.1
421.25842	1.2
429.21204	14.3
437.24994	1.3
445.29541	1.3
468.90823	1.0
473.28964	74.4
474.29248	4.0
491.30258	17.3
553.31030	1.7
571.31726	1.6
581.30542	1.2
595.31812	1.3
617.32831	2.3
635.34161	38.7
636.33905	3.5
653.32245	18.4
654.30731	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.00285	0.2
53.03939	0.3
55.01865	0.5
55.05498	0.8
57.03424	0.3
59.04985	0.2
61.11550	0.1
65.03926	0.8
67.05492	1.5
68.99790	0.3
69.03422	1.2
69.07058	1.0
69.51099	0.8
71.01348	0.2
71.04987	0.5
73.02892	0.2
73.06572	0.1
78.78180	0.1
79.05479	1.3
79.81110	0.1
81.03407	2.9
81.07045	2.5
82.07404	0.1
83.01345	0.1
83.04961	0.7
83.08609	0.7
85.02897	0.8
85.06522	0.4
85.07655	0.3
89.03886	0.2
91.05467	9.0
93.07031	1.5
95.04959	1.2
95.08588	1.4
97.02869	1.2
97.06512	0.8
97.10158	0.3
99.00786	0.2
99.04427	0.6
99.08080	0.2
103.03922	0.2
103.05465	0.2
105.03336	0.1
105.07017	1.5
107.04930	0.6
107.08570	1.4
109.02856	2.2
109.06505	0.5
109.10133	1.4
110.10473	0.1
111.04433	0.5
111.08065	0.4
113.06016	0.1
115.03923	0.1
115.05386	0.1
117.03389	0.2
117.07005	0.4
119.04925	21.7
119.08563	1.1
120.05237	0.2
121.02857	0.7
121.06480	0.8
121.10131	1.0
123.04414	0.3
123.08042	0.4
123.11720	0.8
125.05960	0.4
125.09628	0.3
127.03908	1.2
127.07554	0.3
127.11183	0.2
128.06157	0.1
129.06987	0.4
131.04936	0.3
131.08568	0.5
133.06430	0.5
133.10123	1.2
135.04381	0.6
135.08055	0.3
135.11665	0.6
137.02338	0.3
137.05940	0.7
137.09605	0.3
137.13234	0.2
139.07515	0.2
139.11192	0.2
141.06981	0.2
143.06993	0.3
143.08554	0.2
145.02840	0.2
145.04890	0.1
145.06476	0.3
145.10115	1.1
147.04387	100.0
147.11653	0.7
148.04729	0.7
148.11984	0.1
149.05930	0.2
149.09518	0.4
149.13188	0.2
151.03923	0.2
151.07545	0.2
151.11166	0.4
153.01805	0.7
153.09090	0.2
153.12653	0.2
155.08490	0.2
155.10594	0.1
157.06491	0.4
157.10150	0.4
157.12184	0.1
159.08031	0.3
159.11659	0.5
161.06009	0.2
161.09573	0.5
161.13214	0.2
163.03894	2.7
163.11168	0.7
165.01833	0.2
165.05473	0.3
165.06833	0.1
165.09120	0.5
165.12753	0.2
167.07042	0.4
167.10631	0.1
168.07378	0.1
169.04948	0.2
169.06441	0.4
169.10120	0.1
169.12184	0.2
171.08000	0.2
171.11691	0.2
173.05962	0.2
173.09552	0.6
173.13237	0.2
175.07573	0.2
175.11104	0.4
175.14801	0.2
177.05467	0.1
177.12807	0.1
179.10587	0.3
181.12254	0.3
183.02827	0.1
183.11653	0.1
185.05931	0.7
187.05978	0.2
187.07545	0.8
187.11119	0.5
189.09065	0.3
189.12718	0.2
189.16455	0.2
191.10657	0.4
193.12236	0.9
199.07492	0.2
201.05399	0.3
201.16507	0.1
203.07045	0.5
203.10670	0.1
205.12202	0.5
207.10028	0.1
209.11600	0.2
211.07562	0.1
211.13274	1.1
213.05470	0.5
215.06947	0.2
215.10580	0.4
217.12212	0.2
218.19948	0.1
219.06511	0.1
223.13297	0.4
225.11169	0.2
227.07060	0.5
227.12711	0.2
229.04968	0.5
229.14246	0.2
231.06477	4.9
233.11671	0.3
235.13165	0.1
245.08026	0.2
247.05896	0.5
247.17038	0.1
249.11201	0.1
251.12744	0.3
253.14319	0.2
255.06546	0.9
257.04376	0.3
259.13202	0.1
261.07352	0.1
267.16086	0.2
273.07489	1.2
274.04807	0.1
283.15350	0.1
285.03970	0.1
287.05460	1.0
287.23663	0.1
291.08551	0.5
299.14865	0.3
303.04956	8.5
303.23016	0.1
305.24707	0.2
321.24133	0.1
323.25992	0.2
333.09561	0.6
333.13062	0.1
337.16452	0.1
345.05869	0.1
348.62509	0.1
351.10703	2.2
355.17398	0.3
359.15134	0.1
369.14999	0.1
377.15961	0.2
393.19263	0.1
395.16895	0.1
402.69983	0.1
411.19711	0.2
413.18073	0.2
455.24332	0.1
491.26270	0.2
509.27298	0.3
635.30200	0.3
653.21912	0.1
653.31573	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46431	0.2
56.05020	0.3
57.07042	0.2
58.06603	0.3
60.08152	6.7
67.05490	0.8
69.07047	0.3
71.07359	2.8
71.08610	0.2
81.07037	0.5
84.30897	0.2
86.09689	30.7
87.10001	0.2
95.08596	0.3
98.20620	0.5
98.98452	2.5
104.10731	2.7
109.10155	0.4
119.26126	0.2
124.99981	20.0
143.01031	0.4
166.02629	0.4
166.46404	0.2
177.05424	0.3
178.19919	0.2
184.07304	100.0
185.07729	0.5
205.73201	0.2
208.02039	0.3
324.24142	0.2
442.09357	0.2
496.33960	0.2
511.45032	0.2
649.99445	0.2
650.43805	10.8
651.43982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.1
55.01869	3.9
55.05496	22.3
57.03428	10.8
60.72688	3.6
67.05495	100.0
69.03418	24.2
69.07053	17.3
71.04983	7.7
71.62354	5.1
79.05486	28.3
81.03403	46.7
81.07041	56.1
83.04973	19.7
83.08611	11.7
85.02910	6.0
91.05476	28.4
92.75117	3.1
93.07025	35.0
95.04955	8.2
95.08591	36.7
96.22921	3.0
97.02883	16.4
97.10142	16.1
105.07014	21.2
107.04991	4.9
107.08579	29.9
109.02895	7.4
109.06498	7.7
109.10142	58.3
111.04435	11.5
117.06932	6.9
119.08578	24.4
121.10155	15.4
123.11697	6.0
125.09614	8.9
127.03913	6.9
129.05472	7.7
129.07005	7.4
131.08585	14.2
133.06491	4.6
133.10132	12.1
135.08072	4.2
135.11681	11.8
137.09576	4.2
143.08565	8.9
145.10117	14.0
147.11676	14.7
149.13263	5.1
156.63103	3.2
157.10115	4.5
159.11673	11.7
161.13277	4.4
169.10112	3.4
171.11710	5.6
173.09503	4.1
173.11731	14.8
173.13234	9.7
183.11656	5.5
189.11174	8.3
195.56125	3.5
197.13199	4.5
227.12662	15.3
229.14317	27.0
261.22198	7.6
299.14880	3.6
301.21246	3.7
303.23312	3.5
315.55154	3.6
328.23682	3.7
335.25839	17.0
337.27234	8.9
351.22919	4.3
369.24237	9.7
371.16876	5.1
373.18637	7.5
387.25296	5.2
405.46661	3.4
461.28656	9.4
479.29700	6.1
489.35550	10.3
597.37994	5.7
603.39972	3.4
615.38403	9.1
633.39905	32.8
640.72955	3.4
651.41174	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	649.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15909	0.2
50.18349	0.3
50.85814	0.3
53.03932	0.8
55.01851	0.3
55.05249	0.4
55.05502	4.1
57.07063	3.5
63.02354	0.5
65.03927	0.3
67.05494	4.8
67.75045	0.3
69.03407	0.5
69.07053	5.0
71.04968	0.6
71.08612	2.3
73.06493	0.2
79.05481	4.1
80.31105	0.3
81.03403	3.4
81.06568	0.6
81.07041	10.8
83.04965	0.6
83.08599	5.2
85.02834	0.3
85.10164	1.2
87.64196	0.2
89.03900	5.2
89.05991	0.3
91.05459	5.2
93.07029	7.6
95.04954	1.6
95.08587	16.6
97.02877	0.6
97.06506	0.4
97.10152	1.4
98.20753	0.5
103.05458	0.8
104.87634	0.3
105.03302	0.3
105.04542	0.4
105.07011	9.9
106.04151	0.4
106.07288	0.3
107.04935	0.7
107.08572	12.7
109.02856	1.2
109.06484	1.0
109.10131	8.1
111.04469	0.4
111.08080	0.4
117.03355	13.7
117.06945	1.4
119.04938	0.3
119.08554	16.3
121.06473	1.1
121.10123	10.4
121.11016	0.4
123.04388	0.5
123.08041	0.5
123.11684	5.9
125.02296	0.8
125.09610	0.7
127.03897	0.8
128.06235	0.4
129.06964	1.2
131.04887	0.6
131.08530	3.9
133.06435	0.3
133.10101	11.7
134.03615	1.4
135.04373	2.4
135.07967	0.4
135.11668	7.4
137.05966	0.4
137.09624	0.3
137.13242	2.1
143.08517	1.7
144.09291	0.3
145.02818	40.9
145.10101	6.9
146.03207	0.4
147.04356	0.5
147.08028	0.3
147.11656	9.6
149.05945	7.2
149.09566	0.3
149.13226	6.1
151.14813	0.7
153.09100	0.6
155.08516	0.3
157.10086	1.5
158.05971	0.8
158.10834	0.5
159.11667	6.2
159.12973	0.4
160.12361	0.3
161.06020	0.5
161.13226	6.8
162.03111	0.8
163.03864	3.0
163.11107	0.7
163.14780	4.4
165.05428	0.3
165.06955	0.3
165.12720	0.5
165.16412	0.4
167.10735	0.5
169.10069	0.6
171.11607	1.7
173.05980	0.4
173.11873	0.5
173.13226	4.3
175.14795	8.3
177.05434	100.0
177.16350	8.9
177.17546	0.2
178.05754	1.2
179.10695	0.3
179.14215	0.3
181.10181	0.3
183.11687	0.8
185.13260	1.3
186.05466	3.8
187.14748	3.0
189.16354	15.8
190.16649	0.4
191.06839	0.3
191.17918	3.4
193.12227	1.5
193.15865	0.4
195.06494	37.4
197.13248	0.5
199.14748	1.5
201.16350	15.6
203.17917	20.4
204.18306	0.5
205.15842	1.0
205.19556	0.5
207.17371	3.8
213.16328	4.6
215.17903	11.4
217.15810	0.7
217.19440	1.9
219.13791	0.4
219.17358	0.7
221.15343	0.8
221.18909	0.4
225.16412	0.5
227.12587	0.4
227.17883	1.3
229.19510	2.0
231.17371	0.5
233.15302	0.4
235.16858	2.1
239.17921	0.7
239.23650	0.5
241.19412	2.1
243.21013	1.8
245.15500	0.3
247.16896	3.0
249.18442	1.9
253.19531	0.8
255.21042	1.2
259.16910	1.8
261.18423	4.5
267.15878	2.1
267.20941	1.4
269.22577	1.1
273.14767	1.1
281.22623	0.4
283.24033	0.4
287.20059	0.7
289.21387	0.5
293.22589	0.4
299.19977	0.9
301.14420	1.6
301.21585	0.7
309.25687	0.6
313.27341	4.0
315.23117	0.7
319.15381	2.6
323.27652	0.3
335.27478	0.4
343.26514	0.3
365.31812	0.6
375.17822	0.6
381.08087	0.3
381.27792	0.5
391.33484	6.4
393.18820	1.3
394.28406	0.3
409.34561	7.7
410.34927	0.3
411.32410	5.7
419.32312	0.3
427.35645	0.4
437.34070	24.2
438.34323	1.3
455.35284	0.3
505.38831	1.7
523.40112	1.4
613.40381	0.9
631.41431	1.2
649.43402	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4084
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
53.03929	0.6
55.05499	2.6
57.07058	1.5
66.95770	0.5
67.05500	3.6
67.87170	0.4
69.07058	5.5
71.24329	0.5
79.05469	3.7
81.07041	12.5
83.08601	4.6
89.03905	4.2
91.05450	3.1
93.07031	7.8
95.04933	0.5
95.08589	19.7
97.10160	1.2
103.05445	0.5
105.07018	6.7
107.08578	15.0
109.10136	7.7
117.03354	13.8
117.06997	1.0
119.08565	8.9
121.10121	13.5
123.11692	4.6
129.06963	0.6
131.08533	3.4
133.10115	6.5
134.03586	1.2
135.04408	1.6
135.11668	11.8
137.13229	6.8
143.08516	1.4
145.02818	39.7
145.10077	4.8
146.03275	0.5
146.63542	0.5
147.11656	6.5
149.05942	5.7
149.13237	12.2
151.14803	1.4
153.05431	0.6
157.10101	1.4
158.05940	0.8
159.11647	3.2
161.13249	5.0
162.03107	1.0
163.03896	2.1
163.14784	2.3
171.11633	3.6
173.13239	3.2
175.11230	0.5
175.14790	4.1
177.05440	100.0
177.16365	11.0
178.05824	1.3
183.11659	1.0
185.13220	1.8
186.05440	2.4
187.14790	4.8
189.16354	7.3
191.17903	3.6
195.06494	38.1
196.06882	0.8
197.13237	0.9
199.14861	2.2
201.16350	6.9
202.16647	0.5
203.17923	17.3
205.15778	0.6
205.19508	0.9
211.14783	1.2
213.16365	4.9
215.17912	3.4
217.12233	0.6
217.19495	1.8
219.13820	0.5
219.52623	0.4
225.16290	0.6
227.17984	0.8
229.19394	0.8
229.43315	0.6
233.15355	1.0
235.16982	0.7
239.17896	1.5
241.19499	4.6
245.15276	0.6
247.16803	0.7
249.18549	0.5
253.19508	1.1
255.21045	1.3
257.23138	0.4
259.16852	4.2
267.21152	1.3
273.18607	0.5
285.18649	0.6
287.19989	1.3
299.19940	0.7
313.21600	1.2
323.27283	0.5
341.24799	0.5
381.27670	0.6
391.33499	4.8
409.34567	4.0
409.79550	0.5
411.32318	2.8
437.34091	20.0
438.34326	1.4
455.35034	2.1
473.74847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60120	0.4
53.03928	1.4
55.01855	0.8
55.05502	3.6
57.03412	1.2
57.07067	13.6
65.03937	0.4
67.05493	8.8
68.05824	0.4
68.20755	0.3
69.03419	0.9
69.07062	3.1
70.81868	1.0
71.04993	0.7
71.08623	9.9
79.05479	4.1
79.20261	0.3
80.05090	0.4
80.83403	0.4
81.03407	28.7
81.07044	9.4
82.03734	0.7
83.04965	1.8
83.08605	9.1
85.06521	0.4
85.10173	5.3
91.05463	6.1
91.35408	0.3
93.07023	2.9
95.04955	7.7
95.08597	9.9
97.01007	0.4
97.02859	0.8
97.06525	0.6
97.10171	1.9
98.98427	0.6
99.08131	0.4
105.07004	4.5
107.04951	1.3
107.08582	1.2
109.06501	0.7
109.10132	4.4
111.08086	1.8
111.11658	0.4
117.06958	0.5
119.04894	0.5
119.08553	4.4
121.06470	0.8
121.10132	2.0
123.11676	1.6
124.01667	0.4
129.06992	2.9
131.08539	2.8
133.06470	1.2
133.10095	1.7
137.13286	0.7
142.07788	0.6
145.10144	0.4
147.08038	1.3
147.11702	1.8
149.09586	1.7
157.10112	2.8
165.12724	0.5
175.11154	2.6
193.12198	6.0
199.11295	0.3
236.16414	5.3
239.23729	2.0
245.23938	0.4
249.14873	2.2
254.17549	0.5
267.15939	1.6
271.65649	0.4
282.27902	1.5
313.27396	1.3
436.28018	0.6
473.57544	0.5
505.38815	100.0
506.39212	7.3
530.39215	0.8
548.40295	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.8
53.03939	11.2
55.01863	8.4
55.05295	1.9
55.05507	22.7
56.80368	1.6
57.03425	15.0
61.02920	2.8
61.70961	1.6
65.03922	4.0
67.05492	73.9
69.03419	22.9
69.07053	15.7
70.67800	1.5
71.04979	6.5
71.27856	1.6
73.02897	2.1
73.06553	1.8
75.65137	1.6
77.03925	2.5
79.05480	100.0
81.03405	47.4
81.07042	65.6
83.04965	25.7
83.08612	14.0
85.02896	18.5
85.06529	4.9
85.16233	1.7
91.04882	3.2
91.05463	87.3
93.07027	93.5
95.04951	41.0
95.08593	40.9
97.02894	13.6
97.06503	8.5
97.10161	5.0
98.21510	3.3
99.04443	4.4
101.02362	2.4
103.05441	3.2
105.04502	2.6
105.07013	63.7
106.07364	2.3
107.04937	18.8
107.08581	31.0
109.02845	8.9
109.06515	11.2
109.10139	8.1
111.04471	3.0
111.08102	4.0
115.05440	4.1
117.06996	30.6
119.04893	4.9
119.08562	43.3
121.06511	8.1
121.10115	9.0
123.04424	3.7
123.08056	8.8
125.05943	2.0
127.03866	8.1
127.07552	2.0
128.06180	13.0
129.05496	3.8
129.06990	34.6
130.07822	1.8
131.04921	5.4
131.08554	18.2
133.06487	7.4
133.10104	20.9
135.08043	4.7
135.11650	5.5
137.05914	1.8
137.09575	2.2
141.06956	7.4
142.07741	2.9
143.08536	23.7
145.06534	8.3
145.10117	19.1
147.04378	7.8
147.08031	7.2
147.11668	46.1
149.05959	1.9
149.09621	3.1
153.07021	3.2
155.08568	7.3
156.09296	1.9
157.06490	8.6
157.10066	8.7
159.08035	9.6
159.11661	7.0
161.05927	2.4
161.09579	9.4
161.13205	17.8
163.11143	3.5
167.08519	4.7
168.09401	1.8
169.10066	4.5
171.08034	6.2
171.11664	45.8
173.04482	10.8
173.05804	2.4
173.09604	2.7
173.13216	4.4
175.07501	2.7
175.11034	1.9
177.09232	1.9
179.08586	1.9
179.14357	2.7
181.10078	4.6
181.11894	1.8
183.08067	3.4
183.11644	3.1
185.09607	5.4
185.13280	4.2
187.11186	3.8
189.12703	21.0
195.11736	2.4
197.13181	3.6
199.14738	3.0
207.11842	1.9
207.13741	39.0
209.13167	2.3
213.16360	3.1
219.13826	1.8
223.14812	6.0
225.14809	6.8
227.14195	3.0
228.23372	1.9
233.15370	3.3
237.12770	2.1
241.15846	7.0
243.17001	1.8
251.14308	5.1
259.16818	4.0
269.15280	11.8
271.17038	2.1
279.16000	3.5
281.17432	79.5
287.16360	16.9
291.80753	1.8
305.17300	3.2
309.17007	3.5
315.16074	3.9
329.10483	1.9
333.16833	2.1
333.20670	1.7
343.18985	4.0
351.17935	3.8
361.19931	4.6
366.87488	1.7
379.20929	1.9
407.20718	3.8
425.21713	13.4
459.30978	2.3
469.14502	2.7
469.29034	4.4
471.47134	1.7
487.30469	65.7
501.31891	5.7
529.32153	2.2
539.33582	3.4
549.31860	5.3
557.84088	2.0
567.33081	15.1
585.34125	2.9
613.33771	3.1
631.34326	14.7
649.37213	12.0
649.50598	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	646.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
55.01863	1.4
55.05264	0.4
55.05506	6.0
57.03146	0.4
57.03429	7.5
57.07069	0.8
59.04982	0.5
61.02914	2.4
65.03909	0.5
65.85718	0.3
67.05495	30.1
69.03414	1.4
69.07056	9.5
70.57460	1.2
71.01340	1.7
71.04990	3.3
73.02895	0.6
73.06606	0.4
76.79887	0.3
76.90875	0.3
79.05481	20.0
81.03409	3.0
81.07043	26.2
83.04957	5.5
83.08605	5.6
85.02887	2.9
85.06525	2.0
91.03941	1.4
91.05466	8.9
93.07030	30.4
95.04955	3.5
95.08592	8.6
97.02872	1.5
97.06519	7.5
97.10160	4.1
99.04431	0.5
99.08086	1.7
101.02402	0.4
105.07004	4.0
107.04939	1.2
107.08577	19.1
108.08867	0.4
109.06491	0.9
109.10143	3.0
111.08076	2.8
111.11681	0.5
113.09624	0.5
117.06984	3.8
119.08559	3.0
121.06505	0.8
121.10119	8.2
123.11684	0.8
125.06013	0.4
125.09598	1.2
127.03862	0.9
129.07040	0.4
130.07780	0.4
131.08559	2.9
133.10118	3.6
135.08025	1.4
135.11670	21.1
137.09572	1.1
137.23032	0.4
139.11154	0.8
145.05026	0.5
145.10092	4.0
147.11678	1.4
149.09595	0.7
149.12032	0.5
149.13229	9.9
153.12759	0.6
159.11671	4.6
163.11157	2.6
177.12750	1.9
181.12187	4.3
184.07376	0.5
195.13766	3.5
199.13258	0.4
227.12943	0.3
229.14284	0.5
255.15865	29.6
269.17435	25.0
270.17905	0.6
301.16357	0.6
322.24554	0.4
357.24155	0.5
374.89380	0.4
429.11963	0.5
431.28055	0.9
449.28922	100.0
450.29367	2.9
575.35516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.4
57.03421	2.3
58.58744	0.8
59.14423	0.7
59.19057	0.7
61.02904	1.8
69.03419	6.9
71.61040	1.5
73.02895	2.5
77.17310	0.8
81.03400	3.0
82.43520	1.0
82.99855	1.0
83.04948	2.5
85.02889	17.9
86.03216	0.8
89.94909	0.9
91.03931	1.3
93.06978	1.1
97.02871	7.2
99.04411	1.0
101.00855	4.3
103.02410	1.3
109.02870	2.6
113.00827	1.2
115.02427	1.1
116.98603	1.4
119.01904	18.3
121.03484	1.1
124.28060	0.7
127.03894	10.2
131.01900	6.4
133.03441	5.2
137.02927	4.1
139.03851	1.0
143.01875	17.2
145.03447	7.6
145.04942	6.6
147.01318	1.4
147.05025	3.5
149.02971	2.1
152.40262	1.0
153.01857	5.1
153.03958	1.4
155.01880	9.4
155.16530	0.9
157.03447	6.3
159.05006	3.0
161.02937	28.0
163.04636	1.2
165.06036	1.3
167.01884	2.1
169.03502	1.2
169.05264	1.2
171.03209	0.8
171.03517	1.0
171.04964	6.2
173.02945	17.7
173.06473	1.3
174.04477	0.9
175.04478	3.3
175.08115	1.2
177.06090	6.3
178.04865	1.1
179.01888	1.3
183.05009	7.5
183.55128	0.9
184.04631	1.3
185.02933	18.7
185.06598	2.8
186.03076	1.4
187.04443	3.1
189.06061	3.8
195.05157	1.3
195.07085	3.9
197.02951	7.6
197.06677	1.1
199.08182	4.1
201.06055	42.9
203.03960	14.5
203.07646	1.6
211.04512	0.9
211.08127	2.1
213.06108	5.6
215.04005	4.0
215.07687	2.6
217.09148	0.8
219.05034	1.6
219.07108	19.2
221.05042	27.9
222.05264	1.3
224.07658	2.0
225.06068	3.8
227.04031	4.4
229.09177	1.9
231.07124	13.8
233.08694	2.7
237.06003	1.2
237.08189	1.1
243.07098	20.4
245.05043	43.8
245.08801	1.8
246.05159	2.4
247.04602	1.6
251.08664	2.1
255.07054	4.7
257.04858	2.3
257.08997	1.8
261.08255	6.1
263.06042	6.8
264.07745	2.1
273.08148	14.8
273.58206	3.3
274.08124	1.5
275.05997	2.7
275.09698	8.6
277.03323	1.8
281.07056	1.5
283.09970	1.5
284.09796	1.3
285.08148	3.4
291.09256	7.2
293.07065	1.0
301.11255	7.8
303.01523	4.3
303.09128	23.9
304.01556	1.0
305.07138	3.1
307.08517	1.4
309.10077	1.0
319.12323	2.5
321.10257	100.0
322.10422	2.4
323.10168	2.8
332.11163	1.8
337.09698	2.8
340.10010	1.4
344.11810	3.6
345.10291	2.0
347.12283	1.3
351.11218	3.5
354.10236	1.9
354.60922	2.0
362.09549	2.3
363.11340	40.1
365.09146	4.0
365.13284	1.2
375.11432	7.8
381.12119	1.8
393.12384	8.3
405.12473	1.0
423.13385	13.7
425.11307	2.6
447.13464	5.0
465.14465	11.1
483.14633	9.1
511.49545	1.0
541.14526	1.3
645.23163	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	644.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18621	2.1
53.03926	7.0
53.99091	2.0
55.01859	11.8
55.05504	34.9
57.03427	19.9
57.21972	2.4
65.03925	5.5
65.14103	2.7
67.05495	88.8
69.03410	7.8
69.07057	31.6
71.04969	11.4
71.61886	2.5
71.62368	2.9
79.05479	64.0
81.03406	100.0
81.07044	84.2
83.04974	14.9
83.08605	33.2
85.02879	3.3
85.06514	6.1
87.04449	3.4
91.05471	68.0
93.07024	61.4
93.07610	3.4
95.04949	39.5
95.08592	34.1
97.02861	5.5
97.06505	16.2
97.10143	17.5
99.08086	4.5
101.95152	2.3
105.07008	48.5
107.04918	16.9
107.08584	40.2
109.06487	10.6
109.10130	26.4
111.04414	3.3
111.08052	10.0
115.05488	3.5
117.07009	18.2
119.08562	39.8
121.06477	9.6
121.10123	27.5
123.08035	8.6
123.11702	4.6
125.09605	15.1
129.06995	17.8
131.08551	33.0
133.06456	7.1
133.10109	35.5
135.08028	8.2
135.11639	16.7
137.09549	5.9
139.11147	2.2
141.06900	2.9
142.07727	3.2
143.08493	8.0
145.06450	5.2
145.10109	20.4
147.08031	9.2
147.11664	23.9
149.09590	19.7
149.13211	7.6
151.11134	7.1
153.09129	2.7
157.10095	17.1
159.07866	2.9
159.11649	15.1
161.09569	4.2
161.13232	6.1
163.11212	11.4
165.12782	5.8
169.10049	5.2
171.11624	5.4
173.11789	4.0
173.13235	4.8
175.11195	10.0
177.12746	5.5
181.12180	2.5
183.11526	3.5
185.13196	3.9
187.11174	4.3
189.11212	7.2
193.12230	25.6
197.13275	4.8
199.11119	2.7
211.13255	5.2
227.12743	19.2
229.19374	3.5
247.20554	3.6
248.68356	2.4
253.14430	3.2
255.15836	14.6
256.62512	2.8
257.18967	8.0
267.15863	95.3
268.16306	3.2
269.17438	29.8
275.20044	29.6
283.15201	3.7
289.88712	2.5
291.19424	3.8
293.21021	3.6
317.15936	3.0
349.23672	19.4
367.24747	5.5
368.29227	2.8
369.24225	5.8
395.01678	2.7
437.24655	3.4
443.27866	13.4
446.29974	3.2
447.27100	31.7
449.30527	3.0
461.28952	81.6
462.28842	2.7
493.31412	14.1
497.27682	3.0
501.32300	3.6
511.29153	7.4
541.35101	45.8
546.38043	3.1
559.36237	16.8
644.30042	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	644.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.4
55.01865	23.9
55.05502	42.6
57.03429	24.7
57.07059	5.2
57.26234	2.2
59.04976	3.1
62.81336	2.7
65.03932	3.9
67.05498	100.0
69.03415	8.2
69.07060	73.1
69.38258	22.4
71.01347	2.3
71.04980	8.6
71.08625	3.3
73.02910	5.3
74.68420	2.5
74.82449	2.2
79.05480	65.8
81.03408	27.1
81.07049	68.8
82.04182	7.4
82.07341	3.4
83.04964	23.2
83.08606	22.3
85.02880	5.2
85.06522	3.4
91.05469	64.2
93.07029	58.7
93.96891	2.4
95.04954	28.9
95.08595	45.5
97.02898	4.6
97.06518	21.8
97.10155	23.2
98.07298	5.5
99.08086	4.1
105.07020	47.9
107.04957	17.2
107.08574	39.3
109.06514	10.1
109.10142	42.5
110.10489	2.4
111.04365	3.1
111.08070	9.9
116.04697	9.1
117.07002	13.7
119.08565	44.0
121.06487	7.0
121.10117	22.3
123.08051	10.9
123.11700	6.6
125.09616	23.0
127.07532	2.3
128.06128	2.8
129.05478	30.2
129.06985	10.6
131.08539	22.6
133.06487	4.5
133.10101	33.0
135.08044	10.1
135.11681	17.4
137.09599	20.2
143.06973	8.0
143.08519	4.8
144.61259	2.4
145.10101	16.8
147.08066	3.8
147.11670	17.5
149.09616	18.3
149.13245	4.2
151.11194	4.4
153.09026	3.1
153.12679	2.4
155.08554	2.8
155.10582	3.0
157.08575	12.5
157.10078	9.2
159.11639	13.3
161.09561	4.1
161.13222	7.9
163.11147	13.9
165.12767	5.4
171.10245	5.6
171.11644	5.5
173.11714	7.5
173.13235	7.0
175.11151	8.6
177.12692	3.5
179.14307	6.9
183.11682	3.5
184.13373	3.7
189.11188	10.8
193.10574	2.4
193.12102	13.0
199.13237	6.0
209.11713	7.0
211.13255	9.0
223.13214	5.4
227.12749	10.4
228.13293	2.3
229.14305	10.6
249.14963	2.7
253.14464	3.2
253.17902	3.6
255.15782	3.4
257.19067	8.0
267.15924	10.3
273.18448	4.9
275.20050	31.3
276.20404	2.9
277.21536	3.0
278.21707	2.7
283.15411	5.8
285.16898	6.4
291.19351	11.9
293.21030	4.2
301.16446	47.9
347.21686	2.5
349.23669	37.2
365.23068	3.3
397.22311	6.0
417.64954	2.9
455.26270	3.2
461.28717	3.1
471.96286	2.5
479.29843	9.7
511.29120	4.4
546.38251	7.2
574.34229	2.7
575.35559	20.5
576.16907	2.8
593.36652	4.7
644.38708	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	644.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01853	1.0
55.05264	0.3
55.05502	3.4
57.03429	4.6
57.07057	0.3
59.04994	0.3
60.71988	0.3
61.02921	6.0
65.03928	0.6
67.05169	0.4
67.05492	4.6
69.03421	2.4
69.07061	1.8
69.61631	1.8
70.06573	0.2
71.04977	1.4
73.02905	2.2
79.05060	0.5
79.05486	5.6
81.03407	22.2
81.07041	7.7
83.04968	4.3
83.08606	8.7
85.02891	14.2
85.06525	0.5
86.61261	0.3
87.04417	0.4
91.03940	6.1
91.04884	0.4
91.05464	8.4
93.06458	0.3
93.07030	5.0
95.04350	0.5
95.04954	8.3
95.08601	2.5
97.02879	4.0
97.06506	1.4
97.10130	0.8
98.20767	0.4
99.04436	0.7
99.08064	0.4
103.03957	0.3
103.05425	0.4
105.07014	7.2
107.04939	2.2
107.08584	2.6
109.02863	0.4
109.06501	1.4
109.10133	1.0
111.04404	0.9
111.08070	4.2
113.05976	0.7
115.03894	0.5
115.05412	0.6
117.06968	0.6
119.04882	0.5
119.08566	6.1
121.06534	1.1
121.10128	3.4
123.04415	0.2
123.08067	1.0
123.11663	0.7
125.09586	0.5
127.03892	2.2
127.07471	0.4
128.06194	0.3
129.06984	3.3
131.04913	0.3
131.08553	4.2
133.04950	0.3
133.06451	2.1
133.10110	4.2
135.08040	0.4
135.11658	0.3
137.06009	1.1
137.09604	0.8
142.07768	0.8
145.04938	2.3
145.10091	0.5
147.08000	1.2
147.11665	5.3
149.05943	0.8
149.09604	2.6
150.06740	0.6
151.07503	0.4
153.01810	1.0
153.09041	0.4
157.10104	5.1
161.05963	0.6
163.05989	3.7
163.07547	0.8
163.11174	0.5
165.05539	0.3
165.09082	1.0
165.12726	1.7
167.07002	1.5
167.10637	0.3
175.11157	6.5
177.05482	0.8
179.07011	0.7
181.08534	0.6
191.14265	0.3
193.08617	4.0
193.12218	21.6
194.12546	0.3
195.10170	0.6
199.75667	0.2
206.10280	0.3
209.08055	4.0
210.08270	0.2
211.09677	8.9
211.13242	14.7
229.14380	0.3
235.13237	0.3
241.49156	0.3
253.14230	0.3
267.15884	6.2
285.16919	100.0
286.17355	2.1
309.07220	0.3
309.17136	0.3
352.43475	0.3
391.17642	0.3
411.20120	0.5
429.21326	1.5
447.22086	3.9
544.38513	0.2
609.27734	0.3
644.31647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01865	0.8
55.05504	2.2
56.05487	0.2
57.03426	2.3
59.05001	0.3
61.02631	0.3
61.02918	4.1
65.03908	0.3
65.13988	0.2
67.05492	6.0
69.03419	1.1
69.07053	3.8
69.95660	1.3
70.06579	0.3
71.04980	1.0
73.02898	1.5
79.05476	3.4
81.03400	1.1
81.07043	21.3
82.07375	0.4
83.04958	2.1
83.08603	2.6
84.05304	0.2
85.02414	0.4
85.02891	5.3
85.06542	1.4
91.03941	4.2
91.05463	6.2
92.05779	0.2
93.07024	3.0
95.04961	0.8
95.08586	5.0
97.02877	3.1
97.06509	2.3
97.10150	0.2
99.04436	0.6
99.08100	1.1
101.06020	0.4
103.05493	0.3
105.07014	9.4
106.07339	0.2
107.04947	0.4
107.08579	4.4
109.02852	0.7
109.06494	1.7
109.10124	0.6
111.08099	0.5
113.06002	0.6
117.07013	0.3
119.08566	7.0
121.02831	0.2
121.06488	0.4
121.08773	0.2
121.10124	6.7
123.08059	1.6
123.11687	10.4
125.05988	0.4
127.03885	2.1
127.07560	1.2
129.06976	0.5
131.04863	0.3
131.08562	0.6
133.06465	0.3
133.10136	1.6
137.05956	1.4
137.09593	0.3
137.13197	1.0
141.09065	0.4
143.03368	0.3
145.04927	2.0
145.10132	0.5
147.11662	29.6
148.11996	0.9
149.09633	0.4
151.03868	0.6
151.07510	0.7
153.01805	6.7
157.10114	1.3
158.62761	0.2
161.05978	0.4
163.05994	3.1
163.07394	0.4
165.12720	15.4
166.13074	0.3
167.07011	1.2
171.02824	0.4
175.11122	1.4
177.05502	0.4
179.06989	0.3
181.04955	1.2
183.13824	1.8
191.07028	1.0
193.08569	0.3
193.12277	1.1
205.08774	0.3
208.94157	0.2
209.08011	0.6
211.13242	0.2
213.07585	0.2
229.14314	3.4
235.13257	0.3
267.15872	21.1
268.16162	0.7
285.16910	100.0
286.17285	3.4
303.17966	0.3
315.07236	0.3
326.94839	0.2
331.15375	0.5
411.20325	0.5
418.15741	0.2
429.21088	0.6
447.22180	6.1
609.26898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21008	0.3
55.05476	1.0
57.03396	0.3
64.64432	0.2
67.05496	2.4
69.03374	0.3
69.07034	1.2
70.43137	0.3
70.68620	0.6
70.68969	0.6
71.08591	0.3
75.72246	0.3
79.05479	2.3
81.03381	1.0
81.07054	2.7
83.04929	0.5
83.08572	0.8
91.05459	2.4
92.05763	0.4
93.06479	0.4
93.07001	2.2
95.04926	0.8
95.08610	2.2
97.06507	0.5
97.10107	0.3
99.08061	0.4
99.10719	0.3
99.59266	0.3
105.07021	1.9
107.04921	0.4
107.08567	1.7
109.06475	0.5
109.10150	1.7
111.08028	0.3
117.06982	0.6
119.08559	1.4
121.06454	0.4
121.10101	1.1
123.07975	0.4
123.11691	0.3
125.09602	0.4
129.06985	0.3
131.08530	1.0
133.06441	0.3
133.10110	1.6
135.08055	0.4
135.11641	0.7
143.08406	0.4
145.10103	0.6
147.11661	0.6
149.09616	0.4
151.11179	0.5
155.08598	0.3
157.10147	0.4
159.11633	0.7
161.13176	0.5
167.05371	0.3
171.11620	0.5
173.13225	0.3
175.14806	0.4
253.14348	1.0
254.14755	0.5
259.20468	0.4
267.15909	0.7
268.16064	0.4
274.18744	0.3
275.20038	0.8
277.21735	0.3
291.19644	0.7
308.29388	0.3
333.24164	0.3
351.25223	0.4
395.11469	0.5
396.12210	1.2
397.12845	1.9
398.13873	0.6
399.14630	0.3
400.15274	0.3
409.13220	0.8
410.13568	2.1
411.14471	5.1
412.15314	4.3
413.16068	2.7
423.14584	1.2
424.10968	1.1
424.16177	2.4
425.16235	12.2
426.16910	8.4
427.17703	2.3
428.18692	1.9
437.16077	1.1
438.13013	2.4
438.17319	1.7
439.13550	15.0
440.13715	1.2
440.19199	4.4
441.19235	37.1
442.19568	3.3
451.13498	0.6
451.18683	0.4
452.14029	3.1
453.15228	15.7
454.15872	4.9
455.21384	0.6
457.14417	0.5
458.15491	0.3
463.13773	0.8
465.15860	0.6
466.12006	0.5
466.16919	0.5
467.17136	24.9
468.17801	15.2
469.18777	13.6
470.18640	0.9
471.16461	1.0
472.17523	0.9
478.15927	0.4
480.17532	1.3
481.14664	13.9
482.15430	3.7
482.21487	0.6
483.15857	0.6
484.17703	0.3
485.18198	1.0
486.19382	0.6
493.17502	0.3
494.17215	0.9
495.16827	2.7
495.21704	0.4
496.17117	12.1
497.17789	2.7
498.19272	0.7
499.16354	0.5
508.19458	0.9
509.18341	2.9
510.21405	0.6
512.20490	1.0
513.20831	0.3
514.22363	3.0
522.17822	1.3
523.19635	1.9
524.20673	0.5
526.18311	0.4
527.23126	3.6
528.23401	0.8
537.19427	1.2
538.19324	0.4
539.19666	0.4
540.19739	0.9
540.33575	0.3
541.20630	0.5
542.21515	1.0
545.23901	0.7
545.37811	0.6
555.22339	30.4
556.22626	2.2
557.22052	0.3
558.34967	0.7
568.19458	0.6
583.21814	100.0
584.22058	7.1
586.20416	0.7
587.25165	2.0
611.21631	1.4
614.23688	0.9
615.24438	14.0
616.24493	1.1
625.43994	1.0
643.23853	85.4
644.24158	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	643.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03921	0.7
55.01852	1.3
55.05503	0.5
57.03416	0.5
59.80304	0.3
65.03931	3.5
67.05486	2.1
69.03416	1.5
69.07034	0.8
69.65558	0.7
69.65963	1.6
71.04980	0.5
77.03881	0.3
78.04697	3.6
79.05479	3.6
80.97438	0.3
81.03408	1.5
81.07052	2.4
82.04165	1.0
83.04943	1.0
83.08569	0.4
85.02891	2.6
85.06509	0.6
89.82340	0.3
91.05458	4.0
93.03369	1.0
93.07025	1.9
95.04950	2.3
95.08595	1.4
96.05740	0.4
97.02857	0.9
97.06504	1.7
97.10120	0.4
99.04412	0.4
103.05460	4.3
105.03357	0.4
105.07031	1.6
106.04160	1.8
107.04942	5.8
107.08553	1.5
108.02115	0.6
109.02835	0.9
109.06495	0.9
109.10126	1.6
110.03646	1.5
111.04444	1.3
115.05440	5.5
117.03372	0.3
117.06998	9.3
117.07832	0.5
119.04908	0.8
119.08549	1.8
121.02821	0.7
121.06488	3.1
121.10101	0.9
122.03616	1.1
123.04404	7.3
123.08045	0.6
123.11677	0.9
124.05198	3.7
125.05978	1.6
127.03882	0.9
127.05443	1.0
127.11189	0.3
128.06189	0.5
131.04909	3.6
131.08574	0.6
132.05734	0.4
133.02837	0.5
133.06453	1.2
133.10107	0.8
134.03583	1.0
135.04381	1.2
135.08058	0.5
135.11662	1.0
137.05980	2.8
137.09583	0.6
137.13245	0.4
138.03111	0.8
140.04669	0.8
142.02556	1.3
143.04890	0.9
143.07036	0.4
144.05733	0.6
145.02858	0.7
145.06465	14.4
145.10081	0.6
147.04378	1.1
147.08031	0.9
147.11690	0.6
148.05170	1.0
149.05952	3.4
149.13220	0.3
151.03886	2.1
151.07498	2.4
152.04663	2.5
153.01784	1.0
153.05412	1.9
155.04837	0.6
155.05994	4.3
155.07062	0.5
156.05562	0.4
157.06491	0.6
158.03566	0.3
159.04335	1.3
159.08008	0.6
160.05168	0.7
161.04790	0.3
161.05923	1.8
163.03896	1.4
163.07545	0.9
163.11186	0.3
165.05534	1.4
165.06741	0.3
165.09024	0.4
167.07014	100.0
168.07323	1.7
171.06525	2.6
172.05167	0.4
173.05959	20.7
174.06473	0.4
175.03941	0.6
175.07507	2.0
175.11090	0.4
175.14777	0.4
176.04645	0.7
177.05463	3.9
179.07002	0.9
181.04932	54.0
182.05293	1.0
187.07552	0.7
188.04686	0.3
189.05457	1.0
189.08983	0.3
191.07002	4.5
191.08560	0.6
191.10666	0.5
192.07707	0.4
193.04854	0.4
193.08629	0.6
193.15819	0.4
195.06438	1.5
201.05467	0.9
202.06158	0.4
203.07001	2.4
205.06697	0.3
205.08566	5.9
207.06531	1.0
207.08330	0.3
207.10080	0.7
209.08044	3.3
211.16841	0.4
217.08568	1.0
217.12206	0.4
218.07520	0.3
219.06529	0.8
220.07037	0.3
221.06038	0.5
221.07959	0.5
222.06699	0.5
225.07515	0.5
231.06480	0.8
233.05812	0.5
233.08041	5.7
234.06703	0.5
234.08798	0.6
235.07562	0.5
235.09608	7.7
235.13258	0.5
236.84717	0.3
237.09090	0.6
247.07434	0.4
250.06212	0.5
251.07088	0.4
253.08540	0.4
253.14314	0.8
261.57755	0.3
263.06961	0.5
265.08493	0.9
271.09543	0.4
277.08658	0.3
279.06400	0.4
279.84756	0.3
280.07272	0.4
281.07977	0.3
282.08884	0.8
283.26373	0.4
285.11951	0.6
293.08145	1.1
295.05869	0.5
295.09616	0.5
297.11136	1.2
309.07483	0.4
309.11188	0.3
310.08188	0.6
311.09216	0.4
313.10687	0.5
325.10736	1.3
326.11490	0.6
327.08615	0.6
329.10220	0.5
341.10208	0.5
342.10876	0.4
344.12643	0.4
345.13501	0.3
353.10284	0.6
355.11780	0.6
357.13312	4.8
367.11798	0.4
370.10245	0.5
371.14899	0.4
381.13281	0.6
385.12753	31.5
386.13339	1.4
387.14359	4.6
387.19092	0.5
388.14474	0.4
397.12686	0.6
399.14307	2.0
415.13821	1.7
416.14578	0.3
417.15378	13.4
418.15689	0.6
447.17856	0.4
459.17087	0.3
481.11118	1.0
613.22461	0.5
643.23749	57.8
644.24146	3.7
673.65863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.7
55.01836	0.8
55.05480	0.4
57.07041	0.3
65.03933	2.6
66.04695	0.5
66.58896	0.2
67.05490	1.7
67.91961	0.3
69.03406	0.6
69.07038	1.1
70.18481	0.4
70.18896	1.0
71.04957	0.4
73.02905	0.3
77.03906	0.3
78.04682	2.2
79.05119	0.2
79.05480	2.4
81.03393	1.3
81.07040	2.2
82.04169	0.6
83.04955	0.3
83.08582	0.3
85.02885	2.3
85.06523	0.4
89.03914	0.4
90.30406	0.2
91.05460	3.3
93.03350	0.6
93.07028	1.6
95.04943	2.3
95.08591	1.3
97.02854	0.7
97.06505	1.4
101.16164	0.3
103.05447	3.3
105.03358	0.5
105.06998	1.1
106.04158	1.8
107.04938	4.0
107.08541	0.8
108.02075	0.4
109.02852	0.4
109.06483	0.4
109.10104	1.2
110.03627	1.5
111.04408	1.0
113.03443	0.4
115.05424	5.7
115.06200	0.2
116.06155	0.3
117.03365	0.4
117.07002	8.3
117.07829	0.4
118.04058	0.2
119.04938	0.7
119.08544	0.9
121.02809	0.5
121.06470	2.8
121.10117	0.7
122.03622	0.4
123.03548	0.5
123.04404	6.8
123.08081	0.4
123.11689	0.8
124.05194	2.7
125.05981	1.7
127.03883	0.5
127.05437	1.2
129.06964	0.5
130.04114	0.4
131.04881	2.4
132.05602	0.3
133.02768	0.3
133.06447	0.6
133.10077	0.3
134.03595	0.9
134.49297	0.3
135.04381	1.0
135.11656	0.5
137.02351	0.5
137.05957	3.0
137.13182	0.3
138.03085	0.9
139.03822	0.2
139.07452	0.3
140.04626	0.9
142.02554	1.1
143.04851	0.5
144.05672	0.5
145.02751	0.5
145.06459	13.5
145.10103	0.5
147.04382	1.1
147.07996	1.0
147.11670	0.6
148.05113	0.7
149.05959	3.2
149.13225	0.3
149.55421	0.3
151.03896	1.9
151.07507	1.1
152.04660	2.2
153.01810	0.6
153.05455	1.7
155.04855	0.4
155.05994	3.5
155.07083	0.5
157.06511	0.3
157.10043	0.3
159.04395	0.6
160.05194	0.5
161.05937	1.1
161.09563	0.3
162.03107	0.4
163.03862	1.9
163.07521	0.7
165.05435	0.8
165.09108	0.3
167.07005	100.0
168.07332	2.0
171.04335	0.3
171.06485	2.8
172.05156	0.5
173.05951	22.5
174.06316	0.7
175.03844	0.4
175.07518	1.5
176.04623	0.6
177.05450	3.9
177.09131	0.4
179.07036	0.5
181.04921	46.7
182.05293	1.0
185.06059	0.2
187.07411	0.4
188.04593	0.5
189.05396	0.4
191.07005	2.3
192.07761	0.4
193.08511	0.4
195.06485	1.0
201.05411	0.6
203.06964	1.7
205.04825	0.3
205.08562	6.1
207.06491	0.6
207.10022	0.5
209.08008	2.7
217.08537	0.6
219.06473	0.8
221.08052	0.4
231.06514	0.9
233.05824	0.4
233.08022	5.2
234.06558	0.3
235.07521	0.4
235.09618	6.5
236.07964	0.3
236.10211	0.3
237.09200	0.3
247.24191	0.3
249.05309	0.3
249.11188	0.7
250.06306	0.3
251.06900	0.3
253.08577	0.3
263.06821	0.4
264.07779	0.4
265.08633	0.6
265.25156	0.5
267.06552	0.4
267.09918	0.4
282.08920	0.3
283.09653	0.5
283.26376	0.7
285.17004	0.4
292.07074	0.3
293.07999	0.9
295.06439	0.3
297.11221	0.5
299.09064	0.3
309.07440	0.3
310.08176	0.9
311.09024	0.4
317.06589	0.3
323.08954	0.4
325.10489	1.5
326.11346	0.4
329.10086	0.6
329.13721	0.6
342.10736	0.4
345.13251	0.3
350.23822	0.3
353.10110	0.8
355.11780	0.5
357.13284	4.2
367.11661	0.4
369.13327	0.4
381.13513	0.4
385.12738	25.6
386.13116	2.0
387.14328	4.6
388.65799	0.3
397.12631	0.6
399.14337	1.0
415.13824	1.0
417.15323	12.6
418.15540	0.6
441.15573	0.3
481.11096	0.3
613.23303	0.6
643.23712	45.4
644.23962	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	643.1495
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
53.03925	0.3
55.01836	0.3
57.03397	0.5
61.02922	0.7
65.05373	0.1
67.05461	0.1
68.99759	0.6
69.03416	2.0
69.78026	1.0
70.06554	0.2
71.04947	0.2
73.02877	0.3
79.05402	0.2
81.03405	1.1
81.07017	0.2
85.02892	5.8
87.04429	0.1
91.03921	0.3
91.05424	0.1
93.06981	0.2
95.08572	0.2
97.02882	2.0
99.04401	0.5
105.36861	0.1
109.02853	1.1
111.00789	1.8
111.04428	0.2
119.31592	0.1
121.02793	0.2
125.11718	0.2
126.03037	0.2
127.03880	1.5
133.02783	0.1
135.60928	0.1
137.02315	1.4
137.05936	0.3
139.03845	0.2
145.04936	1.1
149.02336	0.2
149.05931	0.2
153.01801	7.2
153.05354	0.2
154.02133	0.2
161.05960	0.3
162.52808	0.1
163.07487	0.2
165.00534	0.2
165.01817	3.0
166.02512	0.5
169.47906	0.1
175.07559	0.2
177.05461	0.4
179.03372	1.0
181.04950	0.1
183.02858	1.0
189.05408	0.6
193.01227	0.2
195.02852	0.5
199.03770	0.2
203.03377	0.4
207.02841	0.3
217.04942	2.3
221.04341	0.2
222.47337	0.2
227.03383	0.4
229.04924	0.2
231.02940	0.3
235.02341	0.2
235.05959	0.3
244.03638	0.2
245.04424	4.3
247.76122	0.2
252.29323	0.1
255.02843	0.5
263.05411	0.7
272.03210	0.2
273.03885	4.1
283.02194	0.2
290.04172	1.3
291.04910	0.2
301.03387	1.1
303.04816	0.4
319.04428	100.0
320.04813	1.7
343.04437	0.2
345.12656	0.2
361.05484	0.2
467.09592	0.2
477.63675	0.2
481.09711	19.0
482.10107	0.3
642.88739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.5
53.03932	1.1
55.01874	2.0
55.05499	5.7
57.03416	1.5
57.07052	0.8
61.02924	2.0
65.03922	0.8
67.05495	17.2
69.03408	1.1
69.07064	5.5
69.38481	4.0
70.07391	0.4
71.04977	1.3
73.02901	0.8
79.05046	0.9
79.05478	11.5
80.05816	0.7
81.03394	1.3
81.07048	15.0
82.07352	0.5
83.04968	2.0
83.08613	3.1
85.02902	3.1
85.06512	1.0
90.91679	0.5
91.03948	0.8
91.05468	15.0
93.07030	12.6
95.04937	2.8
95.08597	10.6
95.09114	0.2
95.09213	0.4
96.08980	0.6
97.02884	1.1
97.06517	2.6
97.10155	2.0
99.04411	0.5
99.08048	0.7
105.07015	17.3
106.07356	0.6
107.04950	1.6
107.08582	8.0
108.08932	0.6
109.06509	1.8
109.10138	5.0
111.08058	0.9
115.05437	1.0
117.07006	8.1
119.08566	12.1
120.08888	0.7
121.06503	2.3
121.10137	5.9
123.08032	1.2
123.11694	1.0
125.09600	1.0
127.03976	0.6
128.06206	0.7
129.06985	5.5
131.08553	13.8
131.09509	0.9
133.06445	1.2
133.10114	7.1
134.10414	0.6
135.08063	1.5
135.11649	2.4
137.05998	0.5
137.09601	1.5
141.06931	2.0
142.07806	0.9
142.11542	0.4
143.08543	6.0
145.06474	1.0
145.10098	9.1
147.08017	1.6
147.11671	3.1
149.09610	1.7
149.13243	1.0
150.09972	0.5
151.11189	0.8
155.08565	3.1
157.10136	3.9
159.08080	1.0
159.11658	4.6
161.09590	1.3
161.13248	1.2
163.11142	1.0
167.08707	0.5
168.09290	0.5
169.10156	2.9
171.11630	3.0
173.09601	1.0
173.11884	0.5
173.13283	1.3
175.11166	0.8
175.14859	0.8
177.12753	0.8
181.10086	1.3
183.11638	2.5
185.13248	2.0
187.11211	0.6
187.14798	1.5
189.12766	0.5
195.11673	1.0
197.13248	1.6
199.11246	0.7
199.14832	1.3
201.12708	0.9
201.16342	0.6
209.13278	1.6
211.14796	1.7
213.12730	0.7
213.16428	0.6
215.14302	0.5
216.20006	0.4
217.15872	0.5
223.14882	1.1
225.16397	0.7
227.12700	0.9
233.15372	0.7
241.15825	0.9
245.15308	0.7
247.16978	1.8
259.16977	0.7
259.20535	0.6
267.15759	0.6
273.18262	1.0
275.20099	2.0
276.20377	1.9
283.57999	0.5
286.03848	0.5
291.19394	0.6
325.25357	1.3
335.23743	0.6
343.26273	1.3
349.23837	0.8
350.24136	0.6
353.24649	4.2
371.25763	4.5
389.26846	5.2
406.38641	0.4
427.28387	1.1
440.79245	0.4
445.29440	100.0
446.29889	3.2
463.30487	32.2
464.30847	1.6
544.37225	0.9
607.34619	0.8
624.44025	2.3
642.44507	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92472	0.5
53.03915	0.8
55.01853	2.6
55.05502	7.8
56.70029	0.5
57.03419	2.4
57.07061	0.9
61.02918	2.7
65.03910	0.8
67.05496	18.7
67.15482	0.6
68.05825	1.0
69.03413	1.1
69.07056	7.7
71.04984	1.2
71.62145	0.7
71.62568	0.7
79.05486	14.8
80.05804	0.7
81.03399	2.4
81.07045	19.3
83.04967	1.9
83.08616	4.9
85.02901	2.4
85.06534	0.8
91.03940	0.7
91.05469	17.3
92.05797	1.1
93.07029	15.7
94.07391	1.4
95.04949	3.4
95.08591	13.8
96.74321	0.6
97.02895	1.3
97.06524	4.9
97.10170	3.1
99.08076	1.0
105.07013	18.4
106.07375	0.8
107.04918	2.7
107.08583	8.4
109.06501	2.4
109.10142	5.8
111.08076	1.7
115.05412	1.1
115.37714	0.5
117.06998	9.4
119.08564	14.6
120.08940	1.4
121.06492	2.1
121.10135	5.8
123.08050	1.7
123.11710	1.0
125.09607	1.2
128.06247	1.0
129.06987	6.8
131.08557	14.5
132.08939	0.9
133.06506	1.1
133.10107	9.1
134.10475	1.1
135.08051	1.7
135.11679	2.6
137.09616	0.9
137.13287	0.7
141.06985	1.6
143.08525	7.1
145.06459	1.1
145.10106	9.8
147.08015	1.8
147.11668	4.1
149.09592	2.7
149.13226	1.1
151.11179	1.0
155.01074	0.6
155.08507	3.2
157.10095	4.2
159.11667	4.8
161.09581	1.6
161.13239	1.9
163.11182	1.9
169.10080	3.5
171.11626	3.6
173.13310	1.9
175.11201	0.8
177.12671	0.7
179.14308	0.9
181.10094	1.7
183.11703	1.6
185.13268	2.2
187.11151	1.3
187.14757	1.9
195.11839	1.3
197.13234	2.0
199.14838	1.5
201.16466	0.7
209.13239	1.3
211.14883	1.6
213.12735	0.9
223.14784	1.1
233.15393	0.8
237.16383	1.0
247.16887	1.6
257.18991	0.9
261.18530	0.8
267.15652	0.7
273.18637	1.0
275.20004	3.9
276.20398	2.4
291.19568	1.0
297.28198	0.7
325.25290	1.6
335.23560	0.9
343.26300	1.8
349.23691	1.7
350.23956	1.2
353.24744	4.6
371.25809	5.6
389.26660	4.0
389.31274	0.6
427.28360	1.3
445.29437	100.0
446.29736	3.2
463.30484	23.5
464.30615	0.8
527.37335	0.9
544.37036	3.1
545.38257	3.0
607.34863	1.0
617.96680	0.7
624.43353	1.9
642.29639	1.7
642.44202	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38274	1.8
51.41987	1.7
53.03934	5.4
54.67986	1.3
55.01865	23.6
55.05503	37.0
57.03426	10.2
57.07052	4.6
59.04980	4.2
65.03920	5.9
67.05499	74.2
67.05865	3.6
69.03408	4.4
69.07058	40.2
69.67094	12.3
71.04969	6.1
71.08638	2.0
72.54788	1.4
72.69303	1.9
75.07361	1.5
78.06398	1.5
79.05482	64.7
81.03400	11.0
81.07047	81.9
83.04989	12.5
83.08614	22.4
85.02875	2.1
85.06537	4.0
89.06062	1.7
91.05472	54.7
92.59193	1.5
93.07033	66.5
93.07620	3.3
94.54279	1.4
95.01327	2.5
95.04961	19.4
95.08596	53.0
97.02895	2.4
97.06519	29.3
97.10162	16.5
99.08083	3.2
103.05429	2.1
105.04493	2.4
105.07022	63.1
107.04942	19.9
107.07858	2.7
107.08581	56.9
108.42443	1.4
109.06508	11.9
109.10140	28.4
111.08074	4.9
113.09560	1.5
115.05429	4.1
117.07008	24.0
119.04956	1.7
119.08570	47.8
121.06484	6.7
121.10127	24.2
123.04429	2.7
123.08055	7.8
123.11709	7.7
125.09617	15.7
128.06163	2.4
129.06992	12.8
130.07803	1.6
131.08556	33.6
133.06470	2.6
133.10121	40.2
135.08067	7.7
135.11673	18.4
137.09598	7.1
139.11243	2.7
141.06970	5.5
143.08519	13.2
144.09305	1.9
145.06500	2.4
145.10107	32.1
147.08080	3.9
147.11664	28.1
149.09605	27.5
149.13258	5.0
151.11145	4.9
153.09090	3.3
155.08507	6.9
157.10095	16.6
159.08058	2.6
159.11678	24.4
161.09590	5.0
161.13272	9.4
163.11180	14.0
163.14935	2.0
165.12801	1.8
167.08586	3.3
169.10115	9.6
169.12247	1.9
171.11693	10.8
173.09595	3.3
173.11736	3.7
173.13235	11.9
175.11145	3.0
175.14804	3.1
177.12695	4.5
179.14305	6.0
181.10072	2.4
183.11671	8.7
185.13216	6.8
187.11217	2.6
187.14827	5.4
189.11206	8.3
189.12679	2.6
189.16277	1.7
191.14316	1.9
193.12300	3.8
195.11723	3.3
195.13783	2.0
197.13246	7.1
199.10965	1.8
199.14813	2.7
201.12688	3.8
201.16379	2.7
205.15788	2.1
209.13197	3.2
211.14809	3.6
213.16400	3.7
215.14246	1.7
219.13766	2.0
220.19499	1.5
223.13156	2.1
225.16331	2.8
227.12798	17.6
229.14420	2.4
229.19484	6.8
233.15268	2.2
235.14674	2.0
237.16333	1.8
239.17928	5.5
247.20552	5.2
255.17349	2.2
257.18933	19.0
259.20508	2.4
267.15793	9.0
273.18484	4.3
275.20035	100.0
276.20303	2.3
277.21371	2.0
291.19556	9.5
293.21188	9.0
331.22662	6.1
349.23706	52.9
381.27695	2.0
395.29456	1.9
428.57614	1.8
445.30066	1.9
487.33960	2.0
495.23871	2.1
504.20825	3.1
511.33978	2.8
519.33234	2.6
525.35663	3.3
527.37341	2.6
529.35120	6.3
543.36786	15.4
549.39386	3.6
557.34351	4.0
581.27271	6.0
582.26636	1.8
583.39673	2.1
605.41522	5.6
611.41345	1.9
623.43042	51.6
624.43176	2.9
641.29376	7.0
641.44104	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.1
55.01871	16.0
55.05502	56.2
57.03430	10.4
57.07068	10.7
59.04972	2.4
60.11481	1.8
63.22699	2.3
65.03922	3.9
67.05495	94.7
69.03427	11.7
69.07059	52.9
71.04989	10.7
71.08614	5.7
71.62520	2.4
71.62920	2.4
73.06512	2.6
79.05482	70.1
81.03385	7.9
81.07044	100.0
82.07355	2.1
83.04974	14.0
83.08610	25.6
85.06509	4.1
85.10170	2.4
86.47232	2.0
89.05997	7.1
91.05470	62.6
93.07031	71.9
95.04977	15.9
95.08592	59.7
97.02861	5.8
97.06526	15.7
97.10153	27.1
99.08055	6.0
103.05439	3.1
105.07014	67.0
107.04930	11.0
107.07843	3.6
107.08578	55.3
109.06498	10.4
109.10140	32.5
111.08068	9.5
113.09583	3.0
115.05370	4.7
116.74551	2.0
117.06982	30.5
119.08566	58.2
121.06477	9.5
121.10126	28.6
123.08046	7.4
123.11699	11.6
125.09605	30.8
128.06232	5.6
129.06982	17.9
131.08553	40.4
133.06470	2.7
133.08592	3.7
133.10120	44.3
135.08002	11.8
135.11662	23.3
137.09586	6.3
139.11212	3.2
141.06967	9.8
142.07736	5.5
143.08542	24.4
145.06445	4.7
145.10109	40.2
147.08008	7.3
147.11674	28.3
149.09604	10.7
149.13231	8.5
151.11084	5.5
153.09058	2.5
155.08559	14.1
157.10101	22.0
159.08029	4.1
159.11662	29.9
161.09633	7.7
161.13242	21.4
163.11143	12.1
163.14877	3.0
165.12715	2.7
167.08521	6.7
168.09297	2.3
169.10081	12.0
171.11647	18.5
173.09619	3.3
173.11826	2.9
173.13193	17.9
173.17696	2.1
175.11157	7.1
175.14746	12.3
177.12726	4.7
179.14211	4.8
181.10051	7.7
182.10977	2.2
183.11644	13.3
185.13245	14.2
187.11189	2.2
187.13168	2.6
187.14824	7.7
189.11185	14.9
189.12633	3.9
193.10092	2.2
195.11653	9.4
197.13208	9.8
199.14810	7.6
201.16321	4.0
204.06613	2.2
209.13200	6.0
211.14755	6.8
213.16345	3.6
215.17780	2.4
221.13203	4.8
223.13150	10.6
225.16376	2.5
227.12666	23.0
227.17912	4.6
229.14256	2.2
231.11598	2.1
231.20927	3.1
237.16405	3.5
239.17868	5.5
241.19479	17.4
251.18008	2.6
257.18948	8.0
259.20554	37.1
269.18677	2.5
273.18433	9.1
275.17206	4.3
275.20007	36.1
277.15359	2.4
283.20569	3.0
285.22156	3.5
289.17963	7.2
291.19482	72.4
293.21213	5.2
297.22040	3.9
315.23108	4.6
333.24185	23.3
335.25793	5.9
349.23718	14.6
363.21677	2.8
363.26727	5.0
365.23120	28.9
379.30035	5.0
381.27844	2.5
397.30951	3.3
437.30353	2.2
511.34018	4.9
513.36255	5.2
525.35522	3.8
529.34979	8.8
531.38068	7.9
543.36694	22.9
544.37549	3.4
547.26843	3.3
549.39178	5.0
558.39246	2.8
567.40710	5.0
605.42041	18.0
623.28040	6.8
623.42938	95.2
624.42773	5.4
641.33655	3.0
641.44055	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.0
55.01863	5.8
55.05499	25.5
56.02179	1.3
56.05846	1.3
57.03426	17.5
57.07070	4.1
57.17733	1.4
59.05003	2.1
64.30948	1.3
65.03925	4.9
67.05493	73.0
68.05804	1.4
69.03419	23.5
69.07057	21.3
69.42230	10.1
69.42645	3.3
70.06593	1.5
70.07397	1.5
71.01350	2.3
71.04981	31.4
72.38242	1.2
72.56081	1.2
72.83785	1.6
73.02905	2.7
77.03932	1.6
79.05049	2.9
79.05481	39.1
81.03404	100.0
81.07043	77.8
82.03732	2.6
82.07372	2.4
83.04971	28.2
83.08606	29.2
85.02892	21.4
85.06534	6.6
86.09696	5.9
91.05469	43.7
92.05808	1.6
93.07027	51.6
94.07376	2.7
95.04958	31.9
95.08594	29.9
95.09155	2.5
97.02872	16.6
97.06507	13.5
97.10143	8.9
98.10442	1.5
99.04439	6.3
99.08071	4.2
105.07014	31.9
107.04936	10.3
107.08574	34.8
109.02868	14.4
109.06499	11.5
109.09447	2.4
109.10144	33.5
110.10502	1.7
111.04416	11.0
111.08073	15.5
113.06023	3.6
115.05415	3.4
116.88439	1.3
117.07009	8.8
119.04919	1.8
119.08560	29.8
121.06511	6.4
121.10131	24.1
122.10453	2.7
123.04422	3.3
123.08051	4.3
123.11674	8.4
125.09632	7.2
127.03903	11.3
127.07552	2.5
128.06207	1.9
129.05479	7.6
129.06981	11.8
131.04916	3.4
131.08551	16.3
133.06479	5.7
133.10118	18.3
135.04434	1.7
135.08020	3.3
135.11693	12.0
137.05954	4.9
137.09607	7.9
137.30653	1.5
139.07492	2.2
139.11148	1.8
142.07768	1.8
143.08591	3.2
145.06499	2.7
145.08591	9.1
145.10042	8.6
147.08029	2.9
147.11650	21.3
149.09601	9.4
149.13234	15.9
151.07513	2.2
151.11150	3.4
153.01808	4.8
153.12758	3.1
155.08563	2.6
157.10112	12.5
159.08011	2.0
159.11681	8.5
161.05983	2.1
161.09561	4.0
161.13260	3.5
163.11168	6.8
165.09111	2.7
165.12753	4.9
167.07028	4.4
169.12186	2.3
171.11671	3.4
173.04456	4.0
173.09607	2.2
173.11739	3.8
173.13213	2.5
175.11172	11.7
175.14824	2.3
177.12793	4.5
181.04967	3.8
181.12260	4.6
184.07350	13.6
185.13289	2.0
187.13242	1.9
189.05536	2.1
189.11166	2.2
191.07068	2.1
191.10640	3.2
193.12227	35.9
194.12599	2.6
195.13768	8.2
209.11703	2.2
211.13225	50.5
212.13692	1.7
213.35478	1.5
215.17842	1.4
223.13275	1.5
227.12677	5.8
229.14243	2.9
242.53423	1.4
249.14792	2.6
253.14163	1.7
259.13202	1.9
267.13297	2.6
267.15894	27.2
268.16446	2.3
268.23633	1.5
269.17447	42.7
283.15274	2.1
285.16937	15.3
289.25168	3.4
301.14502	2.3
325.16422	3.0
337.16364	2.3
355.17444	3.7
369.24203	2.4
381.18869	1.9
393.18961	3.0
403.24976	1.6
411.20203	3.2
413.21719	5.4
421.25897	7.3
429.21234	9.1
439.26880	5.9
443.27856	4.0
447.27118	7.0
453.28125	3.9
461.28873	48.3
465.28745	1.5
479.29956	38.4
497.30756	6.2
543.36578	6.4
547.09253	1.6
587.32202	1.5
591.31458	2.5
605.32733	3.9
609.32507	5.2
611.25085	1.8
623.24274	2.7
623.34137	41.0
624.34320	3.1
641.34143	31.1
641.45831	41.7
642.33881	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
53.87819	0.9
55.01871	3.5
55.05496	10.1
57.03413	3.2
57.07054	3.7
59.05007	1.2
63.84579	1.1
65.03928	2.1
67.05491	18.8
69.03413	13.9
69.07059	14.2
70.93721	3.3
71.04979	8.5
73.25139	1.1
77.56921	1.0
79.05037	2.1
79.05475	20.2
81.03402	21.7
81.06570	2.5
81.07040	39.4
82.07378	1.8
83.04968	12.0
83.08606	9.4
85.02894	10.8
85.06519	5.3
91.05460	16.5
93.07024	29.7
94.07353	1.3
95.04949	12.4
95.08589	19.6
97.02882	7.0
97.06507	12.5
97.10141	2.6
99.04440	4.8
105.07012	22.0
107.04930	11.0
107.08573	37.9
109.02864	12.5
109.06504	13.7
109.10140	20.3
111.04429	4.0
111.08083	7.1
113.06019	1.9
115.05416	4.3
115.07573	1.1
117.06989	7.1
119.04898	2.7
119.08549	15.3
121.02883	1.5
121.06483	23.0
121.10123	22.2
122.07248	3.3
123.04398	1.9
123.08068	5.2
123.11700	7.1
125.05972	5.6
125.09613	4.1
127.03890	16.8
127.05383	1.1
127.07511	4.4
129.06963	3.5
131.04933	2.2
131.08539	7.9
133.06483	3.0
133.10109	100.0
134.06818	1.2
135.04453	1.4
135.08028	18.0
135.11646	6.9
137.05997	5.7
137.09596	52.3
137.13191	2.9
139.03842	1.2
139.07524	4.8
139.11122	1.9
140.22324	1.3
142.07704	1.9
143.03397	2.0
143.07007	3.4
143.08574	4.8
145.05034	1.1
145.06447	5.9
145.08464	2.0
145.10094	7.2
147.04398	3.8
147.08018	3.7
147.11662	28.0
149.09590	7.4
149.13231	16.4
151.03897	1.6
151.06389	1.1
151.07544	2.9
151.11162	11.6
153.01804	41.5
153.05428	1.9
153.09096	1.9
155.08592	1.4
155.14264	1.4
157.08701	2.6
157.10092	7.2
158.10963	1.6
159.07980	2.0
159.11678	3.1
161.05954	4.2
161.09567	1.9
161.13239	5.2
163.07477	2.6
163.11156	2.7
163.14796	4.5
165.05424	1.3
165.09074	6.3
165.12762	10.5
167.07013	18.3
167.10544	1.5
169.12242	3.6
171.02867	4.4
171.11642	4.6
173.04596	1.6
173.05919	6.0
173.09578	2.4
173.13231	9.6
175.07509	2.3
175.11163	12.4
175.14830	1.6
177.09074	1.2
177.12733	1.1
179.07074	1.4
181.04936	21.4
181.06485	2.0
187.05994	4.1
187.07506	1.5
187.11078	1.4
189.05391	1.4
189.09081	2.4
189.12668	7.7
191.07074	2.3
191.14278	78.7
193.12233	13.6
197.08032	1.3
199.11200	7.0
201.16458	1.2
203.07030	1.7
205.06926	1.6
207.06548	1.7
207.13795	6.4
209.08051	1.8
209.15320	29.1
211.13271	12.0
212.13377	1.2
214.18163	1.5
215.07042	1.1
217.12196	24.6
219.10217	1.2
223.05865	1.9
229.14301	2.7
233.08012	2.7
234.08708	2.1
235.09627	2.4
235.13251	32.4
237.11195	1.7
253.14320	40.2
267.15933	2.6
271.15433	7.3
289.16562	2.3
297.06042	1.3
307.25995	1.3
315.07013	4.8
343.15234	1.6
361.16257	4.0
379.17395	5.0
385.12744	5.5
397.18475	10.2
415.14224	1.8
415.19595	3.1
416.14307	2.5
417.15234	3.5
431.85043	1.2
433.28946	1.3
461.28574	3.4
479.29529	5.4
589.19397	1.3
605.32764	2.5
623.33771	3.9
641.21869	12.5
641.33990	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	641.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30931	1.5
53.03932	8.3
55.01853	6.6
55.05504	25.6
55.64034	1.9
57.03431	20.4
57.07064	4.6
60.46846	1.9
61.02894	1.8
65.03918	3.7
67.05495	80.7
68.05814	2.4
69.03424	19.2
69.07056	28.9
71.04990	11.2
71.06959	2.1
71.07272	2.2
73.02898	3.7
79.05048	3.5
79.05485	49.5
79.37771	1.8
81.03407	100.0
81.07045	98.7
83.03815	1.9
83.04969	36.0
83.08606	34.7
85.02888	20.6
85.06528	5.8
91.03937	2.0
91.05470	50.8
93.07036	64.5
94.07397	2.0
95.04955	32.9
95.08592	28.9
97.02885	17.4
97.06503	14.4
97.10141	5.4
98.03099	2.0
99.04440	5.8
99.08067	5.0
105.07009	31.9
107.04949	9.4
107.08579	40.2
109.02865	13.1
109.06500	11.2
109.10148	10.3
111.04424	11.6
111.08064	14.7
113.06036	2.5
113.09667	2.2
115.05460	2.4
117.06995	14.2
119.04930	2.4
119.08568	20.8
121.06482	5.6
121.10124	28.8
123.04408	2.1
123.08027	3.6
123.11697	6.4
125.09623	5.1
126.59692	1.8
127.03860	13.2
129.05460	10.9
129.06993	11.8
131.08530	21.2
133.06470	3.7
133.10123	15.9
135.08017	3.8
135.11684	10.4
137.05945	3.5
137.09578	3.6
139.11176	2.2
142.07805	2.1
143.08604	2.5
145.04991	1.8
145.10121	5.1
147.11650	21.0
149.09612	6.3
149.13235	27.0
153.12674	2.5
157.10109	17.5
159.08051	1.9
159.11656	12.4
163.11153	5.5
165.12703	4.3
171.11688	2.6
173.09630	2.6
175.11179	14.6
177.12679	6.1
185.13211	2.1
191.10643	4.1
193.12227	41.6
195.13774	14.2
211.13266	49.5
213.12761	2.4
227.12737	6.7
229.14325	4.1
249.14926	2.5
267.15872	28.9
269.17450	68.6
285.16962	20.7
337.04852	1.7
337.16315	2.5
339.17786	5.6
355.17435	3.7
369.24045	2.2
387.25238	2.1
395.20398	1.7
411.19962	4.2
413.21591	10.2
429.21136	10.7
443.28101	3.7
461.28885	60.7
479.29977	74.6
534.47491	1.9
543.35217	2.0
605.33099	5.9
623.24408	3.3
623.34155	55.2
641.24115	1.9
641.34216	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	641.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.01866	7.9
55.05503	9.8
57.03415	2.1
65.03917	1.7
66.89621	1.3
67.05494	22.0
69.03413	1.9
69.06770	1.4
69.07067	13.2
69.33029	2.6
69.33434	14.0
71.05009	2.1
71.08643	2.3
79.05487	20.1
80.29878	1.5
81.03398	3.6
81.07045	24.5
83.04982	3.9
83.08612	4.2
91.05468	22.1
93.07039	18.7
95.04943	6.1
95.08596	16.4
97.06524	14.9
97.10181	3.7
104.22420	1.4
105.07027	18.4
107.04947	6.8
107.08583	16.7
109.06505	3.7
109.10137	7.2
111.08035	2.4
116.00238	1.4
117.06996	6.5
119.08572	16.9
121.06515	1.5
121.10115	6.9
123.08058	1.8
123.11629	2.0
125.09634	4.4
128.06230	2.0
129.06964	2.8
131.08545	10.3
133.10112	15.5
135.07948	1.8
135.11668	6.6
143.08507	5.7
145.10086	7.5
147.08035	2.5
147.11682	6.9
149.09621	7.2
149.13226	2.3
155.08502	1.6
157.10130	4.5
159.11681	5.7
161.13271	3.4
163.11147	5.1
171.11649	1.7
173.13248	5.7
177.12740	2.0
179.14319	3.4
183.11693	2.3
199.14899	1.7
223.12335	1.6
225.13885	3.2
225.16202	1.9
227.12825	2.0
227.18013	2.0
237.13925	3.5
239.15413	3.6
239.17783	2.0
257.18994	4.6
275.15402	2.1
275.20004	34.4
288.94214	1.8
289.17966	2.1
290.16394	2.4
291.19446	3.9
292.17935	1.6
293.20792	2.2
304.14282	1.7
304.17905	2.0
305.18683	1.8
330.16153	1.8
332.17465	2.4
349.23703	17.5
375.19427	2.2
384.17163	2.8
392.19534	2.7
403.19202	2.0
404.04343	1.6
406.20984	3.9
407.21933	6.5
412.16336	3.8
417.21329	1.7
419.22107	3.3
420.22952	2.4
421.23560	6.0
422.24310	6.3
429.20450	2.2
433.24091	2.0
434.17133	1.6
434.24255	6.1
444.19107	5.6
445.24423	2.1
459.21426	2.1
463.21368	10.0
475.21103	3.1
477.22568	5.2
479.24301	1.9
485.23352	2.0
489.22958	2.4
491.24332	2.5
494.26691	2.7
495.27509	2.5
511.35202	1.8
543.36664	3.9
545.25262	8.5
547.26953	10.2
549.24957	14.6
550.25775	4.6
563.26471	5.7
577.23761	1.8
579.30048	2.6
581.27710	1.7
591.16492	2.1
591.25977	36.6
605.27356	6.7
608.27319	1.7
609.26886	16.2
623.28534	100.0
623.42798	14.2
624.28491	4.1
641.29108	15.3
641.44232	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	641.1702
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
51.21437	0.1
53.03930	0.4
55.01846	0.3
57.03427	0.7
59.04971	0.1
61.02917	1.1
66.99049	0.1
68.99767	0.1
69.03419	2.3
69.94060	0.1
71.04974	0.4
71.61559	0.1
73.02899	0.3
81.03059	0.1
81.03412	1.2
85.02896	7.5
87.04446	0.3
91.03928	0.5
92.02612	0.3
93.03400	0.5
97.02883	2.6
99.04448	0.3
109.02861	0.7
111.00762	0.1
121.02881	0.6
123.04465	0.1
126.03138	0.1
127.03894	1.3
129.05438	0.1
133.90829	0.1
135.04352	0.1
137.02327	0.2
139.03889	0.8
145.04950	1.4
151.03876	0.6
153.01811	4.6
163.03915	0.2
165.01813	0.5
166.02687	0.1
167.07033	0.1
177.05473	0.3
183.02861	0.2
193.41901	0.1
201.05449	0.3
203.03282	0.2
217.04921	0.4
218.05711	0.3
228.04170	0.7
229.04951	2.1
231.02776	0.2
243.06499	0.1
245.04453	0.7
246.05211	1.2
256.03613	0.2
257.04428	1.8
260.03293	0.3
261.07471	0.3
271.06012	0.2
273.03900	1.2
274.04700	3.4
284.03177	0.4
285.00757	0.2
285.03909	3.8
286.04404	0.1
288.05939	0.1
302.04172	10.9
303.04678	0.4
317.06516	100.0
318.06882	1.9
479.11780	11.2
480.12057	0.2
573.98920	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03926	6.0
54.06068	0.9
55.01865	6.1
55.05505	17.1
57.03428	7.5
57.07069	3.0
59.04997	1.7
60.62236	0.9
61.02935	0.9
65.03943	3.6
67.05494	67.1
69.03416	17.8
69.07061	21.8
69.75188	7.0
71.01356	1.7
71.03825	2.0
71.04199	1.8
71.04980	35.9
73.02920	1.7
77.03909	1.3
79.05476	41.3
81.02916	1.7
81.03403	52.0
81.07042	100.0
83.04968	16.3
83.08604	17.5
85.02895	9.6
85.06525	6.2
87.04440	1.0
91.05464	42.3
92.05799	1.3
93.07027	54.9
93.76650	1.0
95.04948	13.3
95.05523	1.0
95.08592	24.8
97.02885	12.6
97.06522	13.4
97.10177	3.6
99.04433	7.9
99.08098	2.9
105.04524	1.3
105.07015	22.4
107.04935	7.2
107.08578	30.4
107.09251	1.6
109.02853	15.8
109.06535	3.7
109.10146	11.7
111.04423	6.6
111.08057	5.8
113.02366	1.0
113.06033	1.6
113.09684	1.3
115.05502	1.8
117.06998	13.6
119.04994	1.4
119.08564	10.7
121.06538	3.4
121.10130	15.1
121.10902	1.3
123.04466	2.3
123.08121	1.9
123.11681	12.2
125.09642	3.8
127.03888	10.0
129.05499	2.8
129.07048	3.6
130.32426	0.9
131.08551	14.2
133.06532	2.8
133.10115	20.0
133.11061	1.5
135.04475	1.2
135.08084	3.8
135.11671	10.5
137.06035	1.5
137.09619	1.4
139.11209	1.5
143.08598	3.3
145.06497	1.6
145.10054	5.4
147.04459	1.6
147.08032	2.7
147.11658	10.7
149.09671	3.0
149.13232	23.3
149.14316	1.7
151.11189	6.5
153.09161	1.0
153.12737	1.8
155.08636	1.5
157.04979	1.4
157.10196	4.1
159.08113	1.4
159.11682	12.1
161.09604	1.7
161.13278	2.0
163.11215	3.0
165.12819	2.8
169.10202	1.2
171.06598	2.8
171.08057	1.1
171.11732	1.9
173.04472	9.4
173.05841	1.7
173.09587	1.7
173.13202	1.4
175.11229	3.5
177.12729	10.5
177.13991	1.0
181.12273	1.1
183.06653	2.3
183.08147	1.4
183.11900	1.0
183.13838	3.0
185.13295	1.3
185.75955	1.1
187.13232	9.0
187.14647	0.8
193.12279	5.0
195.11952	2.2
195.13728	15.2
201.12994	1.1
201.14944	3.5
209.11766	1.8
211.11409	1.2
211.13365	3.7
213.14934	3.5
215.14369	1.3
219.13690	1.4
225.14922	2.0
227.12842	4.1
229.14439	2.1
243.16205	1.1
249.15004	2.0
251.16370	1.1
253.18057	1.0
257.15283	1.4
257.17664	2.5
259.03345	0.9
261.14917	1.0
267.16049	4.3
269.17453	15.0
275.16513	1.7
283.16006	1.3
283.19174	3.8
285.17252	2.2
287.16507	1.4
297.17038	2.1
299.18811	1.7
301.20209	1.2
303.15927	2.5
321.17169	2.9
333.23724	1.0
339.18057	8.2
367.17804	1.3
377.19720	3.8
395.20682	8.0
413.21851	1.6
419.27924	1.4
421.29562	2.1
423.27271	1.1
427.23697	2.1
435.31204	2.2
437.28900	26.5
451.30554	8.3
453.32391	2.6
459.27304	1.9
463.30396	7.7
477.28464	4.7
495.33655	8.7
518.91425	1.0
529.32629	1.0
541.35339	1.4
543.33392	1.5
545.30981	2.0
563.32800	1.7
589.34174	2.7
607.34668	19.6
621.33417	4.2
639.37280	52.4
640.37427	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.4
55.01866	5.3
55.05503	17.8
57.03432	10.3
57.07063	0.8
59.40241	0.7
60.74656	0.6
62.16860	0.7
65.03931	1.9
65.04718	0.7
67.05497	22.7
69.03075	1.0
69.03416	13.4
69.07059	6.0
69.46579	6.5
69.46916	1.1
71.01337	1.4
71.04981	7.2
73.02923	1.0
74.10609	0.7
79.05478	23.9
81.03407	100.0
81.07047	29.0
83.04965	19.0
83.08607	22.1
85.02895	21.5
85.06510	2.4
91.05468	29.3
93.06463	1.4
93.07032	17.6
95.04958	28.7
95.08588	10.1
97.02881	13.6
97.06499	5.3
97.10157	6.9
98.21485	0.8
99.04449	4.9
99.08080	1.9
103.03956	1.2
105.07016	22.2
107.04945	7.9
107.08568	8.6
109.02859	17.5
109.06488	6.0
109.10131	4.5
111.04424	12.9
111.08060	11.8
113.06001	2.7
115.05452	1.8
117.07002	2.8
119.04929	1.4
119.08565	17.1
121.06482	2.8
121.10138	8.8
123.04419	3.0
123.08046	2.8
123.11673	2.5
125.05921	1.4
125.09602	4.7
127.03891	8.3
127.07567	0.8
128.06212	1.2
129.05460	1.9
129.06989	12.8
131.04890	1.7
131.08534	12.9
133.06482	3.1
133.10104	9.7
135.04413	1.0
135.08055	1.9
135.11707	2.5
135.45885	0.7
137.05988	1.1
137.09569	0.8
142.07768	2.5
143.08585	1.0
145.06485	2.2
145.10077	3.7
147.04379	1.6
147.08041	4.1
147.11670	16.8
149.05986	1.1
149.09607	7.2
151.11198	1.1
153.09065	0.9
153.12738	3.1
155.08557	1.0
157.10100	13.2
157.11292	1.1
159.08052	1.1
159.11714	0.9
160.72935	0.8
161.09662	1.3
163.11215	5.4
165.12704	5.2
169.10155	0.9
171.11639	0.9
173.04492	1.8
173.05933	0.9
173.09564	1.4
175.11162	14.1
181.12181	4.5
183.13831	0.9
185.05809	0.7
185.13298	0.8
189.11211	2.6
189.12756	1.5
191.10622	3.5
193.12216	46.2
194.12589	0.9
199.11031	1.0
207.13826	1.2
209.11723	1.4
211.13258	78.5
212.13626	1.8
227.12656	6.3
229.14403	2.0
233.15263	1.3
235.13213	1.7
247.13333	0.8
249.14871	3.0
255.13753	1.0
259.13309	1.1
267.15884	27.8
273.14893	2.6
277.14282	1.7
283.15427	3.2
285.16968	18.3
289.14444	1.0
291.15802	1.2
301.14081	5.6
309.16980	2.0
313.16498	1.2
319.15378	3.5
337.16476	3.4
355.17462	7.8
357.24042	1.1
367.22806	2.1
375.17944	3.0
385.23730	5.1
393.19003	4.8
403.24921	1.9
411.20163	9.0
424.25006	0.8
429.21002	5.0
431.28204	0.8
459.27420	12.8
460.27792	1.3
477.28397	17.2
478.28473	0.9
495.29459	22.5
496.30127	1.0
511.28647	3.2
519.29346	2.2
519.37592	0.8
529.27771	1.2
543.29272	0.9
561.30853	1.6
567.30157	1.2
573.30927	1.3
585.30469	5.0
603.31714	6.1
621.32434	17.1
622.33130	1.7
639.33673	69.4
640.34070	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01859	6.4
55.05253	1.1
55.05503	17.9
55.58192	0.6
57.03430	11.2
59.04987	1.1
60.81787	0.6
65.03925	2.0
67.00317	0.6
67.05492	25.3
69.03412	12.3
69.06716	0.7
69.07060	8.3
69.46502	6.3
71.01348	1.1
71.04984	7.9
73.06553	0.7
76.45619	0.6
78.11624	0.7
79.05482	26.9
81.03405	100.0
81.07045	33.0
81.23130	0.7
82.03725	1.1
82.07348	0.7
83.04969	22.0
83.05451	1.5
83.08607	23.6
83.09114	1.3
85.02889	22.6
85.06531	2.3
91.05466	31.5
93.07031	20.2
95.04955	26.5
95.08588	12.2
95.09155	1.1
97.02876	13.0
97.06522	6.3
97.10162	8.3
99.04443	4.3
99.08081	1.4
101.02374	0.9
101.06022	0.8
103.05430	1.1
105.07021	23.1
107.04262	1.2
107.04926	8.4
107.08587	11.3
109.02865	17.4
109.06514	5.4
109.10137	6.6
111.04427	11.4
111.08061	9.8
113.05986	2.8
115.05418	2.3
117.07003	4.7
119.04967	1.0
119.08565	19.2
121.06474	3.9
121.10126	11.3
123.04433	2.3
123.08076	2.7
123.11693	3.4
125.05996	1.3
125.09592	3.7
125.14599	0.7
127.03902	7.4
127.07579	1.3
128.06158	0.9
129.05428	1.8
129.06985	11.7
131.08543	12.6
133.06500	4.4
133.10120	11.6
135.08067	1.9
135.11671	3.3
137.06012	1.7
137.09590	2.9
137.13263	1.8
141.06956	1.5
142.07750	2.2
143.08542	1.8
145.06540	1.6
145.10098	5.7
147.04396	1.9
147.08012	3.9
147.11667	18.6
149.05972	1.4
149.09586	8.3
149.13234	1.0
151.11229	1.3
153.01854	1.4
153.09076	1.2
153.12727	2.6
157.10106	14.2
157.11302	1.2
159.11635	0.9
161.06015	1.5
161.09639	0.8
161.13327	1.2
163.11153	5.8
165.12709	5.0
167.06970	0.7
169.10107	0.7
171.08092	1.4
171.11676	1.2
173.04449	1.7
173.05879	1.0
173.09619	1.2
175.11165	14.9
177.05545	0.7
181.12178	4.6
183.11667	0.8
185.13237	1.1
185.55772	0.7
187.14709	0.7
189.11217	2.2
189.12747	1.7
191.10706	2.9
193.12215	41.9
194.12585	1.2
199.11186	1.0
205.12253	1.1
207.13838	2.2
209.11731	1.2
211.13260	65.0
212.13612	1.5
212.69972	0.7
217.12199	1.0
227.12625	5.2
229.14244	1.7
235.13179	1.8
237.12732	0.7
249.14893	1.9
259.13202	1.1
267.15869	23.5
273.14835	3.1
277.14456	1.9
283.15479	2.6
285.16925	13.9
285.19778	1.1
286.17224	0.9
291.26788	1.0
295.15286	1.1
301.14084	5.1
305.24887	1.4
309.17078	1.0
311.09027	0.8
311.53659	0.6
313.16617	1.7
319.15500	2.1
337.16269	3.7
355.17456	6.5
367.22623	2.4
375.18069	1.6
385.23727	3.6
393.19025	3.7
403.24890	0.9
411.20099	8.0
411.24762	0.9
429.20929	4.0
441.26462	0.9
449.28738	0.8
459.27328	11.6
477.28427	14.4
493.27420	1.0
495.29465	16.9
496.29584	0.8
501.28900	1.0
511.29132	2.2
519.29578	1.5
561.30609	1.7
567.29895	0.9
573.30872	1.5
585.30823	4.3
603.31818	4.7
621.32538	13.4
639.33661	55.3
640.34027	3.8
643.41278	0.7
654.31274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66453	0.7
53.03935	5.1
55.01859	4.5
55.05500	17.7
57.03428	9.1
59.04992	1.4
65.03931	1.7
67.05493	26.3
68.05811	1.1
69.03066	1.1
69.03418	15.3
69.07053	9.5
69.59549	5.7
71.01350	0.9
71.04980	7.2
73.02912	1.2
79.05482	25.9
79.89759	0.7
81.03405	100.0
81.07041	28.3
82.03720	1.0
83.04968	23.0
83.08131	1.3
83.08607	21.2
85.02892	25.8
85.06538	3.9
87.04430	0.9
91.05466	28.3
93.07029	21.1
95.04955	29.9
95.08592	12.5
97.02873	14.2
97.06506	7.0
97.10159	9.9
99.04446	5.3
99.08068	2.1
101.02376	0.8
103.03912	0.9
103.05443	1.2
105.07014	22.6
107.04944	7.2
107.08586	11.1
109.02862	18.6
109.06504	6.9
109.10142	7.9
111.04423	12.2
111.08065	10.7
113.06013	3.3
115.05441	1.6
117.07018	4.3
119.04920	1.1
119.08566	20.5
121.06476	4.4
121.10130	11.1
123.04411	1.9
123.08061	2.7
123.11683	3.3
125.06012	1.1
125.09602	4.1
127.03896	6.4
128.06226	0.9
129.05473	2.6
129.06973	11.2
131.04865	0.8
131.08556	11.2
133.06465	4.3
133.10114	9.7
134.10402	0.7
135.04404	1.0
135.08046	1.9
135.11696	3.7
137.05975	1.9
137.09616	1.8
137.13280	1.0
141.06963	0.9
142.07774	2.1
143.08551	1.4
145.04938	1.0
145.06470	1.7
145.10072	4.8
147.04395	1.7
147.08017	4.2
147.11661	17.0
149.05907	1.5
149.09578	6.4
149.13266	1.3
151.03880	1.1
151.07520	1.1
151.11145	0.7
153.01840	2.2
153.09106	1.2
153.12732	3.5
155.08595	1.2
157.06528	1.2
157.10104	13.6
157.11307	1.3
159.11633	1.1
161.09715	0.8
163.07692	0.8
163.11156	6.2
165.09105	1.0
165.12697	4.1
171.11664	1.8
173.04440	1.1
173.05954	1.0
173.09612	1.8
175.11183	15.1
177.12729	1.0
181.12241	3.4
185.09598	0.8
189.09299	0.8
189.11186	2.0
189.12749	1.5
191.10590	4.2
193.12215	39.2
194.12572	1.2
199.11266	0.9
207.13754	1.4
209.11658	2.1
211.13252	65.1
212.13646	2.4
215.26868	0.9
221.49998	0.8
227.12665	6.5
229.14383	2.7
235.13275	1.4
244.68193	0.8
249.14941	1.8
267.15875	18.7
267.18533	1.2
268.16147	0.9
273.14871	2.7
277.14383	1.8
283.15491	3.5
285.16956	13.4
301.14200	5.7
309.16995	2.4
319.15372	2.8
337.16455	3.9
355.17426	7.7
367.22592	1.9
375.18057	2.0
385.23724	3.6
393.19162	3.5
403.24777	1.8
411.20074	7.0
429.21356	4.5
441.26355	1.5
459.27383	10.7
460.27359	1.3
477.28366	15.9
478.28543	0.9
493.27725	1.1
495.29434	18.4
496.29575	1.3
511.29041	1.8
519.29541	1.3
522.94470	0.8
543.29089	0.9
561.30267	1.5
562.47980	0.8
573.30206	1.3
585.30530	3.2
591.31042	0.9
603.31635	3.9
621.32465	16.7
639.33643	56.0
640.34180	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	637.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51577	0.8
50.89438	0.6
53.03923	0.8
55.01858	1.2
55.05505	5.7
57.03403	0.9
57.07054	2.5
63.34766	0.6
65.03930	2.1
67.05167	0.7
67.05494	8.0
69.03414	1.4
69.07043	7.8
69.37126	2.5
69.37546	4.5
77.03936	0.6
79.05479	7.8
81.03423	3.5
81.07047	19.7
81.36409	0.7
83.04938	0.9
83.08614	5.3
85.02876	1.0
91.05465	16.1
93.07024	16.1
95.04943	2.0
95.08591	27.0
96.08958	0.8
97.02876	1.4
97.06490	0.8
97.10142	1.9
99.04463	0.7
105.07021	10.4
107.04903	0.9
107.08578	20.0
109.06493	1.3
109.10141	12.2
117.06972	2.4
119.04920	19.7
119.08562	11.8
121.10120	17.6
123.04428	1.0
123.08015	1.1
123.11682	7.4
129.06981	1.8
131.08557	4.0
133.06410	0.9
133.10106	11.6
135.08052	0.8
135.11676	17.1
137.09586	1.1
137.13234	8.5
143.08534	2.2
145.06471	0.9
145.10094	7.0
147.04385	100.0
147.11655	7.6
148.04718	1.5
149.09743	0.8
149.13219	17.1
151.11150	0.8
151.14679	1.7
155.08432	0.6
157.10095	3.1
159.11678	5.8
161.13239	7.4
163.11176	0.8
163.14803	3.0
165.05452	34.1
169.10092	1.6
171.11649	4.4
173.13193	5.7
175.14804	5.7
177.16368	14.9
177.17816	1.3
183.11592	0.9
185.13199	1.7
187.14799	3.3
189.16396	4.9
191.14293	3.8
191.17958	3.3
193.15933	0.9
199.14781	2.7
201.16321	6.3
203.17920	16.8
203.19711	1.2
205.15834	1.7
205.19550	1.7
211.14864	1.1
213.16327	4.7
215.17953	4.4
217.15828	0.9
217.19446	4.5
219.13795	1.8
219.17445	1.4
225.16284	0.8
227.12628	0.8
229.15941	1.3
229.19482	0.8
231.17390	3.6
239.17995	1.4
241.19449	1.9
243.20918	0.9
247.16870	0.8
255.21098	0.9
259.16940	2.4
259.20584	1.6
267.21048	1.5
269.22739	1.0
271.24088	0.8
277.18018	4.2
287.20187	1.2
299.20035	0.8
301.21509	0.9
316.82968	0.7
351.30081	1.4
355.26205	1.0
369.31470	0.9
383.33139	2.5
391.33514	2.2
397.35049	0.9
409.34592	18.3
410.35016	1.4
411.32822	0.9
425.33951	0.9
427.35608	3.2
437.33997	5.1
455.35135	22.3
455.41449	1.4
604.01373	0.9
637.31152	1.5
637.40045	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
53.52675	0.4
55.01863	2.4
55.05504	4.9
57.03431	13.7
57.07069	22.0
59.04995	0.8
61.02917	47.5
67.05494	9.5
68.37221	0.4
69.03419	19.8
69.07060	5.8
71.01347	2.6
71.04985	3.8
71.08621	17.2
73.02908	15.8
74.89668	0.4
75.04465	1.6
79.05489	3.2
81.03408	15.9
81.07047	11.5
83.01324	0.6
83.04965	2.3
83.08607	7.5
85.02892	61.4
85.06519	0.8
85.10169	10.3
87.04465	2.2
89.05994	0.9
91.03941	35.6
91.05459	3.2
93.07021	3.4
95.04974	1.3
95.08593	16.7
97.02876	51.4
97.06523	1.1
97.10154	3.6
99.04435	8.0
99.11750	0.5
101.02358	5.6
103.03931	7.3
105.07028	2.8
107.04932	0.5
107.08584	2.4
109.02868	9.2
109.06502	1.2
109.10142	7.0
110.29605	0.5
111.04462	1.4
111.11687	0.5
113.05956	0.4
113.13272	0.4
115.03922	3.9
117.05495	1.3
117.07001	0.8
118.99534	0.4
119.04945	1.8
119.08552	2.3
121.10102	2.0
123.04441	0.4
123.08071	0.5
123.11706	2.9
125.05979	0.5
125.09572	0.8
125.13238	1.2
125.52953	0.4
127.03896	24.6
129.05447	4.4
129.06985	0.6
131.08563	0.8
133.10106	1.5
135.08002	0.5
135.11659	1.9
137.05966	0.8
137.13225	1.8
139.03905	0.6
140.56528	0.4
141.05463	1.4
143.08568	1.0
145.04938	16.8
145.10098	1.3
147.04390	7.8
147.11664	1.7
148.04703	0.9
149.13243	1.3
151.11177	0.5
151.14812	0.6
155.07057	0.7
155.08563	0.5
155.44228	0.4
157.10170	0.7
159.06520	2.6
159.07761	0.6
159.11693	0.9
161.09659	0.6
161.13251	0.5
163.05977	5.9
165.05406	2.7
165.16324	0.5
170.10689	0.4
171.06517	1.8
171.11626	0.8
173.13225	1.0
175.14732	0.7
177.16389	0.7
179.52502	0.4
183.06503	10.8
201.07561	8.3
201.16318	0.6
203.17921	0.9
206.02902	0.4
219.08623	1.5
221.22653	1.4
226.79918	0.4
228.63962	0.5
239.23650	18.2
257.24725	2.4
273.18561	0.7
275.20206	0.4
297.27960	0.6
298.27243	1.0
313.27316	100.0
314.27722	1.7
331.28394	1.2
341.26865	4.4
355.28326	3.7
364.11792	0.5
367.28296	1.6
368.21234	0.4
383.27768	2.4
385.29352	2.0
397.29422	2.0
406.26276	0.5
409.34229	0.9
421.29520	1.7
436.32599	0.7
437.33087	0.8
439.30377	3.2
455.35004	1.2
457.31531	15.1
458.32098	0.5
475.32718	3.1
637.39026	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.6
55.01851	5.4
55.05503	21.7
56.04136	1.2
57.03431	12.3
57.07046	1.7
65.03928	4.0
66.07172	1.2
67.05493	66.0
69.03416	19.3
69.07056	21.1
71.01333	2.1
71.04978	8.6
71.62553	1.5
73.02921	1.8
73.06553	1.5
79.05484	61.3
81.03404	38.6
81.07043	73.3
83.04965	18.6
83.08603	13.1
85.02887	10.1
85.06532	5.8
91.05470	54.8
93.07030	73.5
93.93435	1.1
94.07343	2.0
95.04955	21.4
95.08593	32.7
97.02888	10.2
97.06522	8.5
97.10155	5.3
99.04452	3.3
99.08075	3.2
103.05453	2.2
105.04525	1.5
105.07014	36.3
107.04948	8.9
107.08576	31.7
109.02841	7.5
109.06485	8.8
109.10149	6.8
111.04439	5.1
111.08061	6.8
115.05421	2.8
117.07012	19.1
119.04893	2.8
119.08564	25.8
121.06483	7.3
121.10125	16.0
123.04424	2.9
123.08061	5.3
123.11684	3.2
125.09663	1.6
127.03899	7.7
127.07542	1.6
128.05360	1.1
128.06219	5.0
129.05460	4.0
129.06979	17.4
130.07817	1.6
131.04890	2.1
131.08537	16.3
133.06471	4.4
133.10117	15.0
134.70366	1.1
135.08029	4.5
135.11659	7.8
137.09610	2.4
141.06960	2.1
143.08537	12.4
145.06450	5.0
145.10106	9.1
147.04436	1.9
147.08038	5.0
147.11664	22.5
149.09583	2.0
149.13234	20.1
151.11258	1.2
155.08522	3.8
157.06459	2.4
157.10109	4.0
159.08035	3.9
159.11673	12.3
161.09567	3.0
161.13231	9.5
163.07498	1.2
163.11214	2.0
165.12698	1.8
166.20253	1.4
167.08495	2.2
169.10109	2.4
171.08028	3.3
171.11655	19.5
173.04451	5.5
173.09558	2.5
173.13286	1.7
175.11220	1.5
177.12654	5.9
181.10109	2.1
183.11647	1.9
185.09692	1.8
185.13184	1.8
189.12689	8.5
195.12001	1.3
195.13763	6.8
197.13364	1.7
207.13770	20.4
213.14658	1.7
221.15344	1.7
223.14890	1.3
223.95943	1.1
225.12712	1.3
225.14864	3.1
227.12666	1.2
241.15799	3.3
245.15521	1.9
257.15283	1.3
259.16867	2.0
267.15771	4.2
269.15265	4.0
269.17560	31.0
278.33209	1.2
281.17444	27.6
287.16321	6.9
305.17535	2.2
333.16815	1.5
339.18076	2.2
343.18970	2.0
351.18030	2.3
361.19913	2.7
395.20706	1.7
413.21677	9.6
425.21664	5.1
475.30490	100.0
476.30688	3.1
479.46265	1.4
489.31967	2.6
527.33679	1.8
555.33136	6.0
573.34546	2.1
601.33044	1.8
619.34619	19.8
637.33484	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	637.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.9
53.03935	8.1
55.01657	0.8
55.01867	10.3
55.05504	26.6
57.03429	10.8
57.07066	2.8
59.04976	2.6
59.38612	0.8
61.02901	1.9
61.92656	1.0
65.03922	3.0
67.05494	31.8
69.03419	22.8
69.07057	14.7
69.54902	3.8
69.55329	2.9
71.01337	2.1
71.04978	11.3
73.02873	1.2
79.05481	34.7
81.03405	100.0
81.07045	43.1
82.03741	1.1
83.01315	6.0
83.04966	23.3
83.08604	22.0
85.02416	1.7
85.02897	22.8
85.06528	3.3
87.04451	1.1
91.05466	35.5
92.78404	0.9
93.07027	35.2
95.04953	25.1
95.08593	21.4
97.02876	19.8
97.06520	8.0
97.10150	9.8
99.04449	8.3
99.08081	2.9
103.05480	1.2
105.07014	24.2
107.04934	13.4
107.08580	20.2
109.02863	22.3
109.06504	8.2
109.10130	15.3
111.04421	16.1
111.08061	9.7
113.05956	1.1
115.05404	1.9
117.06987	9.8
118.16726	0.8
119.04908	2.3
119.08562	23.2
121.06474	6.6
121.10126	17.5
123.04439	3.6
123.08048	6.5
123.11693	5.4
125.05981	3.1
125.09589	6.4
127.03905	14.1
127.07511	1.3
127.11209	1.5
129.05525	1.2
129.06996	8.3
130.07724	1.6
131.04919	1.2
131.08548	13.0
133.02852	1.1
133.06454	4.3
133.10124	11.1
135.04405	2.0
135.08012	4.0
135.11682	15.4
137.05977	2.1
137.09607	2.3
137.13216	1.4
141.06961	1.4
142.07790	2.1
143.08537	5.5
145.06432	2.7
145.10100	15.0
147.04398	4.0
147.08028	4.1
147.11661	14.1
149.05981	1.7
149.09581	6.6
149.13226	2.4
151.11115	1.5
153.01875	1.0
153.09070	1.3
153.12738	9.1
155.08510	2.1
157.06534	1.0
157.10123	12.3
159.08060	1.4
159.11696	8.7
161.05951	2.8
161.09578	2.1
161.13306	3.5
163.07526	1.1
163.11142	18.9
163.14868	1.3
165.05504	1.6
165.06903	1.2
165.09076	1.4
165.12740	3.6
167.08586	1.4
169.10085	1.9
171.08131	0.9
171.11664	4.0
173.04404	3.8
173.05817	1.5
173.09602	3.7
173.13205	4.0
175.11162	8.0
175.14749	1.3
177.09048	1.3
181.12210	9.4
183.06508	1.9
183.11691	1.8
185.13170	4.1
187.11069	1.1
187.14789	5.8
189.09024	1.1
189.11171	2.1
189.12698	1.2
191.10632	8.0
193.10425	1.2
193.12207	23.3
195.11586	1.1
197.13251	3.2
199.14804	11.0
201.12711	1.1
201.16386	1.9
205.12183	1.5
207.13770	0.8
209.11728	7.3
209.13293	1.4
211.13246	43.1
211.15195	2.3
212.13647	1.1
213.12833	0.9
213.16365	2.6
215.14392	2.1
215.17886	1.4
216.03404	0.9
223.13306	1.3
224.39258	0.9
225.12894	1.1
225.16492	1.5
227.12726	15.7
229.12247	1.0
229.14333	2.6
230.14717	1.1
231.14015	1.2
239.17947	1.1
247.13295	1.3
249.14828	1.9
265.14368	2.8
267.15833	9.2
267.21204	0.9
271.13422	1.6
273.14886	1.5
277.14352	1.5
283.15405	13.0
285.17056	4.3
289.14182	1.7
291.15805	1.1
301.14349	3.6
309.17032	1.1
311.14825	1.3
317.13690	1.7
319.15366	2.7
337.16434	2.5
351.18597	1.3
353.15894	5.6
355.17447	7.9
363.30545	1.1
365.20926	1.1
381.31494	2.6
383.22235	4.0
391.33691	2.4
393.19000	2.1
399.32443	1.4
403.33539	3.1
409.18628	3.0
409.34628	3.8
411.20078	4.2
421.34592	10.9
427.19568	2.9
427.35590	1.5
429.21487	1.4
439.26636	1.7
439.35818	11.8
440.27432	5.5
457.25784	3.7
457.36902	5.7
475.26871	14.1
475.37421	7.0
493.27881	17.8
517.27655	1.4
563.28351	1.4
601.29938	2.7
619.31006	10.2
637.32019	84.1
638.32556	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	637.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.8
57.07091	0.9
67.05499	1.8
69.07037	0.9
71.62118	0.7
81.07052	1.2
93.07038	1.0
95.08592	0.9
107.08614	1.0
109.10136	1.0
116.78614	0.8
173.34456	0.8
313.27255	0.9
390.19055	0.9
391.19116	0.8
392.20157	1.0
401.17480	1.0
402.19324	1.2
403.19699	0.9
404.20990	1.2
405.20908	3.2
406.21689	3.8
413.17679	1.4
414.18195	0.8
415.19141	3.3
417.21149	1.2
419.22653	1.5
420.23132	3.4
421.23752	7.5
427.19171	1.6
428.19751	1.6
429.20715	7.4
430.21335	2.9
431.22751	1.1
433.24338	1.8
442.21567	1.6
443.22647	3.9
444.23093	2.3
445.20297	2.7
455.18359	0.9
456.19641	1.4
457.23914	3.1
458.24680	3.7
459.21866	4.8
460.22516	3.3
461.19162	4.8
470.20865	0.9
471.22217	1.3
472.22876	4.2
473.23874	1.7
475.21481	2.6
476.21805	5.2
485.23578	8.3
486.20532	1.4
486.24948	1.4
488.21942	4.1
499.20767	1.1
502.23624	1.1
503.24323	12.7
513.23004	2.6
517.26123	5.7
525.41461	1.1
529.25641	1.7
535.27057	16.6
545.25385	53.6
546.25787	2.9
549.23816	1.0
563.26544	4.2
573.24847	13.5
577.28076	1.0
578.28503	2.6
605.27515	45.4
606.28308	1.3
637.30103	100.0
638.30566	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.4
67.05481	3.0
69.07043	1.0
69.52092	4.1
69.52522	2.9
81.03388	0.9
81.07051	2.5
83.04942	0.9
91.05460	1.7
93.07028	1.5
93.16223	0.8
95.08582	1.2
105.07019	1.0
114.99621	0.8
119.08543	1.0
130.95055	0.8
131.08563	0.9
133.10123	1.1
147.04355	1.1
190.29570	1.1
318.37015	1.0
363.15887	0.8
386.15503	0.8
387.16220	1.0
388.18118	1.1
391.19305	1.0
393.20660	2.2
399.15729	1.3
400.16730	3.4
401.17477	3.8
403.18924	0.9
405.21155	0.9
407.22238	1.7
413.17404	2.5
414.18451	4.7
415.19168	9.5
416.19904	1.0
419.18521	1.0
421.20145	2.9
427.19510	1.5
428.19812	3.3
429.21045	10.0
430.21414	2.9
435.21613	1.4
441.17120	3.0
442.17853	1.4
443.17990	3.3
443.22455	3.8
444.18680	4.7
445.20142	2.0
456.19296	0.9
457.20328	5.5
458.20947	4.4
464.24918	0.9
471.22308	5.9
472.22345	3.6
473.19534	4.2
474.20502	1.1
485.19409	1.7
486.20419	5.1
487.21259	2.3
489.23270	1.0
490.19998	2.3
499.21365	8.6
500.22247	2.1
503.24542	4.1
513.19391	1.8
517.22290	3.4
521.25623	1.1
527.20642	3.1
531.23914	11.9
539.39313	1.8
543.23871	1.2
549.24518	1.1
559.23309	78.8
560.23407	2.0
587.13739	1.2
587.22852	14.5
619.25378	100.0
620.25616	3.5
628.21313	1.0
637.26373	17.2
637.41467	2.3
638.26276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
53.78233	0.2
55.01860	0.7
55.05502	1.6
57.03428	0.8
59.35783	0.2
61.02907	0.3
65.03928	1.3
67.05492	3.1
68.99765	0.3
69.03063	0.3
69.03419	4.2
69.03798	0.2
69.07061	1.2
69.45044	1.7
71.01347	0.4
71.04985	1.1
74.85029	0.2
78.86415	0.2
79.05478	2.6
81.03406	5.8
81.07049	3.4
83.04966	1.8
83.08592	1.2
85.02892	2.3
85.06552	0.4
91.05465	11.8
92.05807	0.2
93.07030	1.9
95.04957	2.2
95.08594	1.7
97.02871	2.8
97.06516	0.7
97.10149	0.6
99.04430	1.1
101.67471	0.2
103.03931	0.4
105.07018	2.6
107.04937	1.5
107.08579	2.0
109.02856	4.9
109.06513	0.9
109.10124	2.1
110.10497	0.3
111.04417	0.6
111.08078	0.4
113.05992	0.3
117.06992	0.8
119.04922	25.5
119.08565	1.6
119.97707	0.2
120.05262	0.5
121.02855	0.8
121.06492	0.8
121.10127	1.3
123.04432	0.4
123.08064	0.5
123.11690	0.4
125.05920	0.2
125.09595	0.4
127.03901	3.1
127.07537	0.2
127.11067	0.2
129.05515	0.2
129.06975	0.8
131.04906	0.6
131.08556	1.0
133.06480	0.5
133.10118	1.4
134.18663	0.2
135.08084	0.4
135.11685	0.8
137.05971	0.4
137.09550	0.4
139.95161	0.2
141.06958	0.9
143.08548	0.5
144.05688	0.3
145.04919	0.4
145.06471	0.8
145.10088	1.4
147.04385	100.0
147.11655	1.1
148.04715	1.6
149.09587	0.9
149.13200	0.2
151.03908	0.2
151.07562	0.2
151.11124	0.4
153.01796	1.3
153.12727	0.3
157.06445	1.0
157.10143	0.7
159.08022	0.5
159.11739	0.5
161.05925	0.4
161.09488	0.3
163.11131	1.3
165.01808	0.5
165.05420	0.5
165.06757	0.2
165.09065	0.4
165.12779	0.2
167.07069	0.3
169.05084	0.2
169.06456	0.7
171.08095	0.2
171.11610	0.2
173.04504	0.4
173.05901	0.3
173.09583	0.5
173.13177	0.2
175.07512	0.3
175.11177	0.5
177.05496	0.3
177.12802	0.2
181.12218	0.3
185.05894	0.9
187.05991	0.5
187.07545	1.5
187.11143	0.4
189.09044	0.3
189.12711	0.4
189.16371	0.2
191.10574	0.5
193.12177	1.3
201.05391	0.3
203.06943	1.0
205.12207	0.5
207.13782	0.4
209.11678	0.6
211.07542	0.3
211.13223	1.7
213.05441	1.2
215.06950	0.3
215.10608	0.4
227.07034	0.9
227.12767	0.8
229.14371	0.8
230.14630	0.2
231.06488	8.8
241.04906	0.3
251.12761	0.4
255.06503	1.1
261.07605	0.3
267.15967	0.8
273.07578	1.6
283.15530	0.9
285.16888	0.4
287.05457	22.1
288.05734	0.7
289.14337	0.3
291.08658	1.8
317.13348	0.2
333.09546	0.6
351.10614	1.6
355.17441	0.3
383.22275	0.3
384.28400	0.2
395.16760	0.2
411.19763	0.2
439.27011	1.0
440.27133	1.1
457.26007	0.7
475.26785	1.9
491.11810	0.2
493.27771	0.3
583.27814	0.2
601.29620	0.3
617.49463	0.2
619.30774	0.8
637.31970	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1541
Annotation	Dentatiflavonoid
Peak:m/z	Relative Intensity
51.02365	0.2
53.03923	0.1
55.01855	0.1
55.05500	0.2
55.69511	0.1
63.02350	0.1
65.03923	0.8
67.05491	0.4
69.03413	0.5
69.07052	0.3
69.55503	0.6
71.04965	0.2
75.68590	0.1
79.05484	0.3
81.03411	1.2
81.07065	0.5
81.52704	0.1
83.04967	0.2
83.08595	0.2
85.02897	0.3
85.06495	0.1
91.05465	7.8
92.05792	0.1
93.07034	0.5
95.04964	0.3
95.08589	0.3
97.02863	0.5
97.06503	0.2
99.04455	0.2
105.03396	0.1
105.07008	0.4
107.04943	0.2
107.08578	0.3
109.02853	0.8
109.06503	0.2
109.10132	0.2
111.00758	0.1
111.04482	0.1
111.08080	0.1
115.07587	0.1
115.78351	0.1
117.06977	0.1
119.04920	20.4
120.05251	0.2
121.02849	0.3
121.06528	0.1
121.10143	0.3
125.05965	0.1
125.48333	0.1
127.03902	0.4
128.61179	0.1
129.06996	0.1
131.08578	0.1
133.10127	0.2
135.08028	0.1
135.11700	0.2
137.02341	0.1
137.05882	0.1
137.09512	0.1
143.07011	0.1
143.08601	0.1
145.10088	0.5
147.04382	100.0
148.04736	1.3
149.09547	0.2
153.01799	0.5
159.11687	0.2
163.11177	0.3
165.01846	0.2
165.05450	0.7
165.09071	0.1
167.07040	0.1
173.04358	0.1
173.09634	0.2
183.02986	0.1
185.05995	0.1
187.06087	0.2
187.11140	0.4
189.12772	0.1
191.10555	0.1
193.12254	0.1
205.12218	0.3
207.13811	0.1
211.13211	0.1
213.05377	0.2
215.10591	0.2
227.12758	0.1
231.06549	0.1
233.11670	0.2
241.04955	0.1
251.12704	0.1
257.04501	0.1
258.05286	0.2
269.13953	0.1
273.07578	0.1
286.04947	0.1
287.05450	11.4
288.05798	0.3
291.08536	0.2
351.10635	0.4
377.15826	0.1
413.17804	0.1
457.25647	0.1
475.26770	0.2
583.86859	0.1
637.31580	0.3
651.41241	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	637.1542
Annotation	Kaempferol 3-(4''-acetyl-6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
51.02362	0.1
53.03936	0.2
55.01857	0.3
55.05498	0.3
57.03431	0.1
59.04976	0.1
61.02919	0.2
65.03915	0.6
67.05499	0.6
69.03420	5.6
69.07055	0.4
70.26903	0.3
71.01346	0.1
71.04972	0.4
73.02928	0.1
78.90114	0.1
79.05484	0.7
81.03408	2.4
81.07054	1.0
83.01300	0.2
83.04970	0.4
83.08595	0.3
85.02891	2.0
85.06522	0.1
91.05466	7.6
93.07033	0.8
95.04963	0.7
95.08578	0.7
97.02880	2.0
97.06529	0.4
98.21370	0.1
99.04447	1.1
105.07018	0.7
107.04939	0.6
107.08557	0.6
109.02863	4.3
109.06498	0.3
109.10115	0.5
111.04436	0.2
111.08089	0.2
113.06011	0.2
117.07006	0.2
119.04924	19.3
119.08537	0.6
120.05258	0.3
121.02848	0.4
121.06503	0.5
121.10135	0.5
123.04437	0.2
123.08039	0.2
123.11666	0.2
125.05987	0.2
125.09563	0.2
127.03898	4.7
129.07008	0.2
131.04855	0.1
131.08551	0.2
133.06459	0.2
133.10114	0.4
135.08012	0.2
135.11693	0.4
137.02319	0.2
137.05954	0.2
137.09566	0.2
139.03891	0.2
143.07019	0.2
143.08551	0.1
145.04945	0.6
145.06351	0.2
145.10112	0.9
146.03598	0.1
147.04387	100.0
147.11638	0.3
148.04729	1.8
149.09576	0.6
149.13232	0.2
151.03889	0.1
151.07500	0.1
151.11108	0.1
153.01802	1.0
153.41364	0.1
157.06537	0.2
157.10101	0.2
159.11722	0.5
161.13222	0.1
163.03981	0.1
163.11188	0.8
165.01814	0.3
165.05493	1.0
165.09097	0.2
167.07007	0.1
169.04945	0.3
169.06328	0.2
169.10133	0.1
171.11682	0.1
173.09637	0.3
175.11180	0.2
177.05457	0.1
179.03416	0.1
181.12354	0.1
183.02887	0.1
185.05930	0.3
187.06105	0.4
187.07518	0.2
187.11108	0.5
189.12727	0.3
189.15193	0.1
191.10611	0.3
191.14220	0.1
193.12222	0.2
199.07495	0.1
201.05522	0.1
203.07054	0.1
205.12190	0.4
207.13747	0.9
209.11621	0.2
211.13327	0.2
213.05510	0.2
215.10576	0.3
223.13358	0.1
227.12776	0.3
231.06512	0.4
233.11684	0.4
251.12723	0.2
258.05139	0.2
267.15973	0.2
287.05460	14.4
288.05884	0.5
289.25003	0.1
291.08575	2.6
303.04767	0.1
303.22964	0.1
333.09598	1.9
351.10721	1.8
395.16971	0.3
405.09790	0.1
408.02295	0.1
475.26627	0.1
619.30896	0.2
637.31757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01869	1.9
55.05504	9.0
57.03431	8.5
57.07066	1.0
59.04983	2.4
61.02923	3.8
65.03938	0.9
67.05495	52.1
68.05833	0.9
69.03419	4.4
69.07061	4.8
71.01337	0.6
71.04985	3.6
71.11024	1.2
73.02910	1.5
79.05488	9.5
81.03409	30.4
81.07047	19.4
83.04976	8.1
83.08604	13.8
85.02414	1.2
85.02898	12.8
85.06525	2.6
91.03946	2.0
91.05470	15.4
93.07033	10.8
95.04956	10.3
95.08596	8.5
96.75674	0.6
97.02870	4.3
97.06501	2.4
97.09591	0.5
97.10149	2.8
99.04433	1.2
99.08070	0.8
103.05415	0.6
105.07024	10.7
107.04927	3.0
107.08572	5.8
109.02853	2.0
109.06511	2.4
109.10143	46.9
110.10455	0.9
111.04440	2.8
111.08073	6.4
113.05975	0.9
117.07034	2.0
119.04928	0.9
119.07696	0.6
119.08563	11.9
121.06519	1.6
121.10143	5.4
123.04405	0.6
123.08055	1.6
123.11723	1.5
125.09628	1.8
127.03919	2.2
127.07465	0.6
129.07001	5.1
129.14888	0.7
131.04929	0.6
131.08537	7.0
133.06465	1.8
133.10100	5.6
133.64661	0.6
135.11699	1.8
137.05980	0.8
137.09610	3.7
139.37769	0.5
142.07779	1.3
145.06522	0.8
145.10092	2.3
147.04390	1.3
147.08055	1.6
147.11679	7.7
149.09634	2.8
149.13255	0.9
151.11172	0.7
155.10625	3.3
157.10117	6.6
161.09598	0.7
161.13321	0.5
161.73343	0.5
163.11195	1.9
165.12721	1.6
168.64993	0.5
168.94498	0.6
173.04465	1.6
173.09512	0.7
173.11732	16.2
173.13148	1.0
175.11179	7.2
181.12212	0.9
189.11290	0.6
191.10571	0.8
193.12228	21.6
211.13257	31.6
212.13620	0.6
216.48564	0.6
227.12740	1.4
229.14322	51.4
230.14688	1.3
235.23564	0.6
249.14946	0.8
250.90741	0.5
267.15872	13.2
283.15329	0.8
285.16928	25.8
309.14291	0.5
353.15906	0.7
403.25211	0.6
420.32968	0.7
421.25726	13.1
421.31149	0.7
439.26862	100.0
440.27274	4.3
475.26630	1.1
493.27707	1.1
583.30939	1.1
619.30872	1.1
637.32245	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	635.3931
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
55.05502	4.6
57.07063	1.4
66.89930	1.1
67.05504	7.7
69.03424	1.3
69.07056	7.0
71.04983	2.5
71.62952	1.6
79.05483	5.9
81.03392	2.9
81.07047	18.7
83.04972	1.5
83.08611	6.1
91.05465	17.4
93.07047	14.2
95.04959	3.2
95.08035	1.9
95.08597	18.6
97.06490	2.0
97.10149	1.3
102.81194	1.1
105.07022	19.0
107.08583	25.2
109.06482	2.5
109.10157	11.5
117.07005	4.6
119.04929	23.6
119.08558	22.8
121.10130	16.5
123.08067	2.3
123.11688	4.2
125.09592	2.7
129.06955	2.3
131.08530	6.2
133.10091	16.9
135.07991	1.5
135.11671	13.3
137.09608	1.4
137.13206	3.6
143.08556	3.8
145.10080	7.8
147.04396	100.0
147.11650	14.1
149.09663	1.6
149.13249	6.8
157.10110	3.0
159.11678	7.4
161.13202	3.5
163.11133	1.9
163.14793	4.3
165.05464	11.2
169.10123	2.1
171.11707	3.8
173.13232	5.1
175.14809	24.1
177.16360	31.6
179.14322	2.3
181.10118	1.5
181.12138	1.6
183.11674	1.8
185.13188	1.8
187.14783	7.7
189.12709	1.7
189.16350	25.4
191.17967	1.7
199.14738	2.6
201.16299	10.7
203.14290	15.5
203.17909	10.9
205.15877	17.0
207.13737	1.8
213.16385	4.8
215.14320	1.4
215.17851	2.6
217.15903	1.5
217.19501	2.4
219.17358	4.7
221.15302	4.1
223.16994	1.6
225.16231	1.6
231.17427	3.2
235.17068	1.7
241.19502	1.9
247.17009	1.8
249.14983	6.5
249.18471	2.0
261.91452	1.3
267.21176	2.0
355.26312	1.4
381.31375	2.8
397.31024	1.7
407.33090	14.2
425.34097	28.1
427.32074	3.1
435.32645	4.8
453.33652	20.4
471.34576	13.2
635.21448	1.3
635.40295	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	635.3932
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
55.05264	0.4
55.05504	5.6
55.79873	0.3
57.07073	2.6
63.02359	0.5
65.03915	0.7
67.05491	7.7
69.03397	0.5
69.07056	10.3
71.08614	0.9
71.63142	0.6
77.03899	0.5
79.05482	7.1
81.03449	0.3
81.07046	22.0
83.04968	0.6
83.08611	7.5
85.06500	0.5
89.03381	0.5
89.03902	5.9
91.05470	5.8
93.07027	15.2
95.04954	1.1
95.08591	35.9
97.10155	2.0
103.05472	0.3
105.04498	0.6
105.07014	13.6
107.04955	2.2
107.08578	24.8
109.06466	0.5
109.10140	14.9
111.04411	0.4
111.08091	0.4
111.11711	0.6
117.03365	7.1
117.06988	1.9
119.04898	0.7
119.08565	16.1
121.02850	7.3
121.06506	0.4
121.10123	24.8
123.08044	0.3
123.11687	8.3
129.07021	1.2
131.08545	5.8
133.10114	11.2
135.04398	19.2
135.07974	0.4
135.11670	20.2
136.12012	0.4
137.13237	11.9
141.06949	0.4
142.07793	0.5
143.08517	3.0
145.02824	11.3
145.10103	8.7
147.04396	1.9
147.08031	0.5
147.11668	10.8
149.13231	20.9
151.07532	0.5
151.14799	2.4
153.09050	0.4
155.08546	0.6
157.06480	0.3
157.10110	3.6
158.10780	0.4
159.11652	5.8
160.12379	0.5
161.09633	0.4
161.13231	6.7
163.03877	100.0
163.14781	3.7
164.04214	0.9
165.09056	0.5
165.12733	0.6
165.16394	0.4
169.10100	1.3
170.92236	0.3
171.11661	6.1
173.13225	5.1
175.11273	0.4
175.14813	7.1
177.16357	20.0
178.16771	0.5
179.10622	0.5
179.17903	0.5
181.04932	28.2
183.11696	1.0
185.13252	3.9
186.05484	1.0
187.14803	7.2
187.24252	0.3
189.16350	13.7
191.10628	0.4
191.14334	0.4
191.17899	5.1
193.15826	0.7
197.13237	1.7
199.14775	4.0
201.16357	10.4
203.10638	0.4
203.17928	27.3
204.18274	0.6
205.12195	0.8
205.15855	1.8
205.19470	1.2
207.17421	1.9
211.14796	1.6
213.16354	7.0
215.17923	5.6
217.12274	0.7
217.15863	0.4
217.19493	2.3
219.09250	0.4
219.11650	0.3
219.13692	0.6
219.17392	0.7
221.15376	0.6
222.07661	0.6
225.16365	1.2
227.17886	1.2
229.19376	1.5
231.17390	0.8
233.15315	1.7
235.16808	1.6
239.17926	2.2
241.19473	7.1
243.21063	1.2
245.15335	0.6
247.16905	1.0
249.18449	1.3
252.18784	0.4
253.19385	2.1
255.21037	2.2
257.22614	0.6
259.16913	7.3
261.18521	0.5
267.21066	1.8
269.22614	0.9
271.17007	0.6
273.18436	0.5
281.22513	0.6
283.23965	0.3
285.18463	1.2
287.20056	2.9
295.24094	0.7
299.19992	1.3
301.21594	0.6
309.25754	0.7
313.21698	2.0
327.23206	0.5
329.24731	0.6
335.27304	0.4
341.24802	0.6
349.28711	1.0
355.26221	1.0
365.31967	0.8
383.29428	0.6
391.33551	6.7
393.35532	0.5
407.32904	0.3
409.34644	8.6
411.32489	4.0
419.33130	0.6
435.32718	0.6
437.34091	28.3
438.34332	1.0
455.35153	2.7
478.96677	0.3
635.40692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3928
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03954	0.5
55.05498	3.2
57.07062	1.1
65.03924	1.5
67.05493	4.1
69.03408	0.9
69.07053	4.0
69.40681	0.4
69.41676	0.6
69.42085	3.1
79.05473	3.8
81.07046	10.4
83.04963	3.0
83.08604	2.4
85.06505	0.4
91.05465	14.9
93.07024	10.3
95.04959	1.9
95.08593	16.3
97.06519	0.6
97.10169	0.8
99.08075	1.1
105.07014	12.5
107.08582	18.7
109.06502	2.0
109.10136	11.1
111.08080	2.2
112.54647	0.4
115.05423	0.5
117.06956	2.0
119.04927	23.0
119.08565	19.5
121.06483	0.5
121.10125	12.3
123.08049	1.3
123.11687	3.8
125.09615	5.0
128.80959	0.4
129.06982	0.9
130.07825	0.4
131.08548	6.4
133.10117	14.3
135.08006	0.6
135.11674	5.5
137.09590	1.2
143.08565	2.2
144.09393	0.9
145.10104	16.3
147.04388	100.0
147.11665	8.1
148.04761	1.5
149.09610	1.0
149.13225	4.4
150.81004	0.4
151.11147	1.4
153.09096	0.8
155.08490	0.5
156.09312	0.4
157.10088	3.2
158.10858	0.6
159.11681	14.2
160.12022	0.4
161.09595	0.5
161.13226	8.8
162.13490	0.4
163.11159	1.1
163.14799	4.4
165.05435	8.3
165.12779	0.5
169.10201	0.5
171.11676	2.9
172.12428	0.7
173.13232	7.6
175.11276	0.5
175.14821	8.7
177.12749	0.6
177.16367	7.7
183.11655	0.7
184.12381	0.5
185.13219	2.5
186.13878	0.7
187.14792	22.3
188.15144	0.6
189.16360	17.0
191.14304	3.0
191.15959	0.4
191.16254	0.5
191.17886	3.3
193.15901	1.0
197.13268	0.7
199.14803	4.9
201.16353	22.7
203.17896	7.9
205.15891	3.9
205.19502	0.8
207.17380	1.0
211.14819	0.6
213.16333	7.4
215.17929	11.1
217.15849	4.4
217.19501	1.8
219.17418	10.3
221.15358	0.5
223.16910	0.5
225.16354	0.9
227.17964	1.7
229.15819	0.5
229.19518	1.6
231.17435	1.6
231.21101	0.6
233.18974	3.0
235.16864	7.5
239.18022	0.7
241.19431	2.8
243.21104	1.3
245.22772	0.4
247.16914	3.6
249.18544	0.7
253.19579	0.5
255.21034	1.3
259.16870	0.5
261.18469	4.2
265.19495	0.5
267.21027	2.6
269.22577	1.0
279.21213	0.5
281.22537	0.5
283.24158	0.8
327.23215	1.1
333.25928	0.4
341.24646	0.6
343.26239	0.5
349.28793	0.8
351.26901	0.7
388.19052	0.4
389.31995	4.7
391.33731	0.7
395.29205	1.8
407.33020	23.3
408.33350	0.9
409.30249	0.4
409.34796	2.8
423.32449	1.6
425.34109	1.5
435.32565	7.3
443.35129	0.9
453.33588	23.0
454.33838	0.8
635.38379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
55.05502	2.1
55.90000	0.4
57.07061	1.1
65.03919	1.3
65.68469	0.4
67.05495	3.6
69.07063	3.9
69.51135	3.6
79.05471	2.5
81.07044	9.8
83.04970	1.3
83.08627	2.2
90.69939	0.4
91.05469	12.6
93.07028	9.3
95.04957	1.0
95.08591	18.0
97.06517	0.6
97.10152	0.8
97.76911	0.4
98.20783	1.0
105.07018	8.9
107.08577	14.3
109.06530	1.2
109.10139	8.0
111.08064	1.4
111.11755	0.6
117.06978	1.1
119.04919	22.2
119.08562	12.2
121.10125	12.5
123.08058	1.1
123.11689	3.9
125.09607	2.1
129.06990	1.1
131.08557	6.1
133.10109	10.5
135.11670	7.2
137.09622	0.8
137.13219	3.2
143.08577	2.5
144.09276	0.6
145.10098	10.9
145.11247	0.5
147.04387	100.0
147.11670	6.5
148.04736	1.4
149.09578	0.7
149.13232	7.2
151.11143	1.0
151.14798	0.6
153.09033	0.7
155.08514	0.8
157.10136	2.2
159.11656	7.9
161.13242	4.9
163.11133	1.0
163.14803	2.8
165.05463	12.9
169.10109	1.4
171.11662	2.5
173.13237	5.4
175.14781	6.2
177.16344	8.2
183.11691	1.2
185.13235	2.9
187.14774	10.3
189.16341	10.1
191.14250	2.0
191.17911	4.0
193.15808	0.6
197.13249	1.5
199.14755	3.9
201.16353	14.5
202.16646	0.4
203.14304	0.4
203.17908	8.2
205.15836	2.9
205.19403	0.6
205.90634	0.5
209.13191	0.6
211.14793	1.7
213.16364	6.6
215.17923	7.3
217.15868	1.8
217.19450	2.0
219.17418	6.7
223.14777	0.6
225.16418	0.8
227.17940	1.5
229.19516	1.0
231.17496	1.0
231.20985	0.5
233.18976	1.1
235.16940	3.5
239.17914	0.9
241.19502	1.7
243.21063	1.2
247.16885	1.3
253.19478	0.5
255.21028	1.0
257.15277	0.5
261.18552	1.6
265.19592	0.6
267.21100	1.5
275.16501	1.3
281.22693	0.7
282.43103	0.5
349.29004	0.7
363.30533	0.7
367.29950	0.7
389.32181	2.8
395.24942	0.4
395.29575	1.3
407.33005	14.9
408.33292	0.9
409.34799	2.3
425.33966	1.2
435.32581	4.4
453.33578	20.5
454.34070	1.7
471.34634	0.5
477.70364	0.5
592.59766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76582	0.5
53.03944	0.6
55.05295	0.5
55.05504	6.3
57.07057	1.9
65.03941	1.4
67.05495	8.8
69.03418	0.8
69.07059	7.2
69.73558	3.2
70.12293	0.5
71.04967	0.8
78.08477	0.5
78.34414	0.5
79.05479	5.9
81.03381	1.1
81.07038	16.4
83.03352	0.6
83.04982	0.8
83.08603	10.3
85.06528	0.6
91.05466	14.3
93.07029	12.9
95.04964	1.7
95.08588	27.0
96.08919	0.7
97.06521	0.6
97.10146	1.5
99.08055	2.0
104.89238	0.6
105.07010	15.6
107.08577	20.7
109.06490	1.7
109.10130	9.2
111.08073	1.0
111.11780	0.5
115.05472	0.7
117.06979	3.0
119.04922	21.3
119.08561	27.0
119.55305	0.6
121.06507	0.7
121.10119	17.6
123.04382	1.3
123.08074	1.2
123.11687	7.1
123.19093	0.6
125.05973	0.8
125.09644	0.7
127.07533	0.7
129.07008	2.1
131.08540	11.6
133.10103	15.8
135.08011	0.7
135.11656	12.9
137.09602	0.8
137.13232	4.3
141.06967	0.7
142.07768	1.3
143.08527	5.3
144.09297	1.0
145.10100	16.7
147.04384	100.0
147.11656	12.9
148.04718	1.4
148.62698	0.7
149.09573	1.2
149.13219	10.1
151.07530	0.8
151.14763	1.2
153.09081	1.3
155.08565	2.2
156.09323	1.0
157.10129	5.0
158.10754	0.6
159.08098	0.8
159.11673	13.0
161.09650	0.8
161.13243	9.5
163.07497	1.3
163.11188	1.1
163.14818	4.6
165.05444	26.0
165.06856	1.3
165.12672	0.7
166.05743	0.8
169.10098	3.5
170.10698	0.7
171.11649	8.2
173.13246	8.4
175.14798	10.6
177.09032	0.9
177.16373	9.9
179.14194	0.9
181.10014	0.6
181.12184	0.7
182.10867	1.0
183.11674	2.9
185.13219	6.8
187.11118	0.7
187.14793	12.5
189.12732	1.0
189.16338	12.3
191.17915	2.7
195.11739	1.4
197.13187	3.0
199.14757	8.5
201.16348	21.0
203.14229	4.2
203.17923	9.6
205.12102	0.9
205.15823	3.8
207.17357	4.2
209.13206	1.6
211.14789	6.0
212.15250	0.9
213.16347	8.8
215.14357	1.4
215.17853	4.4
217.12225	1.4
217.15913	1.3
217.19540	1.1
219.13814	1.3
219.17451	1.9
221.15303	1.2
223.14891	1.5
225.16351	1.6
227.17786	2.7
229.15865	1.1
229.19478	1.7
231.17436	2.3
233.15353	2.0
237.16405	1.2
239.17990	1.9
241.19569	2.9
245.15356	4.6
245.19083	0.7
247.16861	3.0
249.14754	4.2
251.17899	1.0
253.19456	2.7
255.21178	1.3
257.15335	0.7
259.16885	3.3
265.19574	1.2
267.21011	2.5
271.16898	0.7
271.20270	0.6
273.18613	0.7
277.17963	0.7
279.21204	0.6
281.22705	0.7
283.23981	0.7
285.18484	1.3
293.22592	0.7
299.20016	1.4
301.21487	0.6
307.24142	1.3
325.21732	0.7
331.23206	0.6
349.28986	1.0
353.24576	1.4
363.30386	1.4
367.29904	1.5
381.31619	0.9
389.31989	5.9
391.33444	1.5
395.29196	1.7
407.33026	14.8
408.33566	0.7
409.30878	13.5
410.31366	0.7
425.33932	3.0
427.32050	1.3
435.32535	28.7
436.32794	1.7
453.33511	15.2
454.33917	0.8
471.34439	0.9
515.39130	0.7
635.35480	8.5
636.35565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82467	0.7
53.03929	1.1
53.78572	0.6
55.05502	4.7
57.07049	2.8
67.05189	0.8
67.05493	6.2
69.07056	6.8
79.05490	5.0
80.70833	0.7
81.07043	14.9
83.08605	6.5
88.09338	0.8
89.03909	5.3
91.05463	5.5
93.07034	11.2
95.04942	0.9
95.08595	25.0
96.08886	0.7
97.06504	0.7
97.10152	2.2
105.07008	14.0
107.04904	2.9
107.08577	18.4
109.06448	1.0
109.10136	13.3
112.71997	0.7
114.32535	0.8
117.03342	4.5
117.07001	1.7
119.04912	0.7
119.08562	28.3
121.02843	4.5
121.09294	1.4
121.10117	19.4
123.07997	0.9
123.11672	8.0
125.09693	0.9
131.08566	4.5
133.09108	1.0
133.10110	17.7
134.81010	0.8
135.04390	13.7
135.11662	12.0
137.13217	3.1
143.08557	1.9
143.81731	0.7
145.02824	11.5
145.10092	11.2
147.04393	2.1
147.11667	15.8
149.13243	8.5
151.14754	0.9
153.09122	0.9
157.10103	2.0
158.10861	0.9
159.11636	9.5
160.57553	0.6
161.13214	10.2
163.03880	100.0
163.11110	0.8
163.14803	7.4
165.12723	1.1
171.11678	1.7
173.13217	5.6
175.14812	14.3
177.16360	14.7
179.10448	0.9
181.04932	24.3
185.13263	1.4
186.05487	1.5
187.14772	6.5
189.16341	27.4
191.17952	5.8
193.15892	0.9
199.14891	1.9
201.16350	23.7
203.17917	30.7
205.15817	2.0
205.19510	2.1
207.14032	0.7
207.17416	6.6
213.16280	8.5
215.17920	18.8
217.19553	3.3
221.15332	1.5
225.16463	1.3
227.17946	1.7
229.19499	3.1
231.17473	1.1
235.16937	2.4
239.17932	1.1
241.19380	3.5
243.21051	3.5
247.16837	3.9
249.18480	3.1
252.16663	0.7
253.19466	1.5
255.21104	2.3
257.22784	1.1
259.16974	2.1
261.18457	7.2
267.21005	1.5
269.22629	1.8
287.19995	1.7
299.20087	1.9
315.23013	1.3
365.31967	1.4
391.33536	10.8
392.33902	0.8
394.28644	1.1
407.32849	0.7
409.34576	14.9
411.32538	8.9
425.73926	0.8
437.34106	42.3
438.34448	1.1
455.35342	1.5
635.39520	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3931
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03931	0.7
55.05498	4.1
57.03426	0.5
57.07061	1.5
65.03938	1.1
67.05493	5.6
69.03410	0.6
69.07054	8.2
71.04982	0.7
71.08600	0.8
77.41907	0.5
79.05474	5.9
81.03418	1.5
81.07047	18.8
81.69844	0.5
83.04969	1.7
83.08610	3.9
85.06512	0.8
91.05461	14.1
91.06002	1.0
93.07024	10.7
95.04993	2.8
95.08587	15.7
97.10151	1.6
99.22026	0.6
105.07014	17.1
107.08573	22.2
107.12283	0.5
109.06492	1.7
109.10133	7.5
111.08076	0.6
117.06993	1.6
119.04922	22.3
119.08559	23.0
119.27020	0.5
121.06499	0.9
121.10120	16.2
123.08038	1.3
123.11700	2.8
125.09596	0.6
129.06987	1.4
131.08571	3.5
133.10104	14.8
133.11078	1.1
135.08096	1.2
135.11667	17.0
137.13243	0.7
139.07503	0.6
143.08537	1.8
145.10118	5.1
147.04384	100.0
147.10484	0.7
147.11664	13.1
148.04747	0.8
148.11942	0.5
149.09592	0.8
149.13271	3.8
149.49297	0.5
153.09131	0.6
155.08423	0.6
157.10092	2.1
159.11621	3.0
161.09624	0.7
161.13202	4.3
163.11148	1.4
163.14781	3.5
165.05447	14.3
165.06859	0.8
165.09038	1.0
169.10080	0.8
171.11646	2.4
173.13252	2.4
175.14792	32.2
177.16359	42.0
178.16557	0.6
179.10715	0.6
181.10057	0.6
183.08057	0.5
183.11679	1.2
185.13260	2.4
187.14795	6.3
189.16348	30.1
191.14305	0.8
191.17932	0.6
193.15834	2.7
197.13251	0.7
199.14761	1.4
201.16380	4.4
203.14273	15.4
203.17915	8.4
205.15845	16.9
211.14702	0.8
213.16371	2.0
215.17903	1.7
219.17450	2.0
221.13304	0.9
221.15335	7.0
221.18948	1.9
223.16867	1.0
229.15857	0.6
231.17386	4.6
243.20984	0.9
247.16934	1.2
249.14830	10.0
249.18466	2.0
255.21030	0.6
259.20404	0.5
268.07071	0.5
269.22858	0.8
271.20560	1.3
273.22250	0.8
285.21988	0.8
316.35779	0.6
329.24783	1.7
331.22592	0.7
333.26215	0.9
355.26181	1.2
381.31702	3.4
389.32132	1.2
407.33032	9.6
409.30511	1.0
425.34073	34.9
426.34320	1.5
427.31976	3.6
435.32578	3.5
443.35251	1.1
453.33554	23.6
454.33698	0.6
471.34619	21.8
617.38391	0.8
635.39630	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	635.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.6
53.03939	10.3
55.01869	7.4
55.05498	25.1
57.03425	10.5
59.04973	1.5
59.44323	1.2
62.67426	1.2
65.03941	2.7
67.05492	54.0
69.03417	20.7
69.07062	11.3
69.42901	11.4
71.01329	1.4
71.04987	8.5
73.02883	1.4
73.06543	1.7
77.03885	2.1
79.05481	62.6
79.34319	1.2
81.03405	86.8
81.07041	52.5
83.04971	24.5
83.08610	19.1
85.02890	15.7
85.06535	4.5
87.89104	1.3
91.05466	64.3
93.07028	51.3
95.04955	36.3
95.08585	24.7
97.02881	17.4
97.06523	7.3
97.10148	6.8
99.04440	4.7
99.08095	2.5
103.05460	1.7
105.07016	49.0
107.04935	12.7
107.08573	21.5
109.02860	15.5
109.06510	7.7
109.10139	8.8
111.04430	10.5
111.08073	7.4
113.06004	1.6
115.05463	3.5
115.44653	1.0
117.06992	14.1
119.04945	1.9
119.08559	32.0
121.06478	5.8
121.10121	12.3
123.04417	1.9
123.08047	5.8
123.11687	4.2
125.09603	2.5
127.03894	12.2
127.07494	1.5
128.06204	4.6
129.05486	2.0
129.06976	22.6
129.07893	1.9
131.04915	2.8
131.08539	13.2
133.06458	5.8
133.10110	14.8
135.04488	1.2
135.08046	3.2
135.11703	4.9
137.09636	1.8
141.06981	3.5
141.09087	1.3
142.07770	3.2
143.08566	10.4
145.06490	4.5
145.10078	11.9
145.10960	1.2
147.04424	1.8
147.08038	5.3
147.11653	33.4
147.12764	2.3
149.05969	1.7
149.09639	3.4
149.13196	1.2
151.11174	1.7
153.12712	3.2
155.08572	4.5
157.06459	2.7
157.10103	9.8
159.08040	3.9
159.11687	2.9
161.09575	5.6
161.13223	10.6
163.11145	7.8
165.09123	1.4
165.12794	3.4
167.07242	1.3
167.08575	3.4
169.10149	3.2
171.08035	2.4
171.11668	19.1
173.04422	6.3
173.09590	3.2
173.13297	2.4
175.11153	11.1
175.14792	1.5
177.12903	1.5
179.08508	1.4
181.10129	2.0
181.12230	2.4
183.11662	1.7
185.09584	2.2
185.13213	1.8
189.11188	2.3
189.12723	8.6
191.10692	4.7
191.14093	1.4
193.12207	23.1
193.13838	1.8
197.13318	1.4
201.12735	1.6
207.13766	26.3
207.15681	1.5
211.13237	33.2
221.15120	1.3
225.14793	2.2
227.12740	4.2
227.14580	1.7
229.14256	1.8
232.53241	1.2
245.15446	1.4
249.14957	1.6
255.13838	2.7
263.16501	1.5
267.15878	12.2
279.15881	1.9
281.17429	22.4
283.15488	2.3
285.17026	4.1
287.16318	5.5
301.14334	2.1
303.16016	1.4
309.16766	1.9
315.15796	1.7
333.16788	1.8
337.16501	2.9
351.17996	3.1
355.17545	7.4
361.20032	1.5
381.24362	1.6
407.20529	2.7
411.20041	6.9
455.27893	1.5
473.28964	18.7
486.63931	1.2
487.30496	1.8
491.30069	15.7
515.29620	2.1
525.32715	1.4
553.31409	3.6
571.32678	4.2
581.30920	3.0
599.32214	3.4
617.33136	9.5
635.34125	100.0
636.34344	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	635.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64294	0.6
55.05494	0.9
57.07061	1.6
58.72414	0.5
61.42616	0.6
66.58856	0.6
67.05494	1.5
69.07028	0.8
71.08614	1.3
71.62449	0.6
71.62854	0.7
79.05472	1.1
81.03391	1.6
81.07050	1.7
83.08614	0.9
85.02868	0.8
85.10172	0.9
91.05448	1.0
93.07018	1.0
95.04936	0.7
95.08578	1.8
104.26275	0.5
105.07022	1.2
107.08572	0.7
109.10094	0.7
113.00014	0.7
119.08524	0.5
121.10120	0.9
147.11647	0.7
157.10207	0.7
193.12285	1.1
211.13290	0.8
249.13869	0.7
267.15854	0.7
325.63504	0.6
389.17892	0.6
401.17685	0.8
403.19183	1.9
404.19760	0.9
405.20731	1.1
415.19635	0.8
416.15607	0.6
417.16122	1.2
417.21561	3.1
418.21472	1.0
419.22232	1.4
430.17529	1.1
431.18127	5.0
432.19354	2.3
432.88766	0.7
433.23904	1.9
445.19849	5.0
446.20557	1.3
459.22800	2.8
460.22803	2.5
461.23291	2.3
473.19455	1.1
487.21329	0.9
488.21649	2.7
489.22897	3.8
501.22864	1.0
505.25735	0.6
505.38934	1.6
515.24573	1.1
523.39917	11.1
532.24554	1.0
547.27289	6.4
574.77344	0.6
575.26434	17.2
607.28546	1.2
635.28540	100.0
636.28918	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	633.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.4
51.02372	1.2
52.00397	1.1
53.03936	4.0
55.01862	4.4
55.05504	18.2
57.03429	5.0
57.07060	2.2
59.04993	3.3
65.03928	4.1
67.05495	100.0
69.03420	33.8
69.07063	13.1
69.57430	8.9
70.54601	1.3
71.01353	1.2
71.04998	6.6
79.05489	29.4
79.05948	1.7
81.03412	22.0
81.07044	48.2
81.07511	2.6
83.04976	8.0
83.08614	12.4
85.02908	3.8
85.06527	3.4
87.04478	1.4
87.10062	1.3
91.05464	32.7
91.05998	2.5
93.07030	34.6
95.04955	10.0
95.08594	29.4
97.02882	6.3
97.06545	3.9
97.10148	6.7
99.04465	2.5
105.07024	25.1
107.04964	5.0
107.08583	21.2
109.02878	3.7
109.06529	5.2
109.10139	58.5
111.04413	6.6
111.08095	4.1
113.05988	1.3
115.05471	1.3
117.06992	13.1
119.04939	3.2
119.08557	22.9
121.06516	3.5
121.10117	16.3
123.08076	5.1
123.11723	3.2
125.05963	1.4
125.09625	5.4
127.03922	4.2
128.06252	2.1
129.05511	1.5
129.07008	8.4
131.04988	1.7
131.08565	15.8
133.06514	3.8
133.10118	15.2
135.08078	4.9
135.11696	9.0
137.09645	4.7
139.11099	1.9
139.58426	1.4
140.33524	1.4
141.06984	2.6
143.08548	9.2
145.06483	3.6
145.10083	15.2
147.04372	8.3
147.08105	2.6
147.11670	10.5
149.09624	2.9
149.13266	3.9
151.07495	1.6
153.07007	1.9
155.08577	6.6
155.10649	2.5
157.10091	8.3
159.08075	3.2
159.11674	8.5
161.09578	2.6
161.13271	5.8
163.11133	3.0
163.14789	2.0
165.09175	1.4
165.12819	2.1
167.08626	2.2
169.10089	4.9
171.08102	2.0
171.11676	8.2
171.35020	1.3
173.09599	2.4
173.10289	1.5
173.11758	12.6
173.13313	7.0
175.11252	3.6
175.14867	2.6
177.09236	1.4
179.10603	1.8
181.10165	1.4
183.11638	2.9
185.09702	3.6
185.13280	4.5
187.11276	3.6
187.14838	3.0
189.11261	1.5
189.12798	1.7
189.16466	1.6
195.11722	2.5
197.13295	3.4
199.11177	1.8
199.14832	2.5
205.15814	1.9
209.13283	2.6
211.15004	1.2
223.15013	1.6
227.12808	3.9
229.14273	17.6
259.17032	1.3
259.20358	1.5
261.22296	2.2
277.21701	4.1
283.20654	1.6
289.21786	1.6
297.22101	1.7
299.14963	4.5
301.21613	6.1
318.65070	1.3
319.22702	2.5
321.22003	1.6
327.23206	3.3
339.23312	1.6
341.24905	3.9
351.23404	5.3
353.24887	1.7
355.17621	3.1
369.24130	11.1
375.25488	2.2
387.25159	6.8
389.27460	1.3
393.26758	1.9
405.26547	2.3
407.25690	1.4
419.73520	1.4
425.26379	1.8
443.28003	6.2
461.29007	7.6
489.35645	2.0
505.35001	1.6
559.36682	2.0
587.40143	1.4
597.37836	7.2
615.38922	11.7
633.40009	72.2
634.41095	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70404	2.3
52.26774	2.4
53.03944	3.5
54.39871	2.2
55.01853	4.0
55.05501	29.5
57.03419	4.8
57.07067	5.2
65.03897	5.7
67.05492	100.0
69.03413	34.4
69.07046	15.2
71.04979	4.6
71.62480	3.9
71.62904	2.7
74.20536	2.5
79.05486	38.7
81.03418	18.2
81.07046	59.0
83.04961	12.4
83.08627	16.0
84.99406	2.8
85.02869	6.5
85.06523	3.4
85.07386	2.9
87.04448	3.7
91.05466	40.5
93.07026	40.9
95.04937	14.6
95.08024	4.7
95.08582	39.1
97.02881	6.4
97.06529	7.7
97.10144	7.1
99.04443	6.1
105.07014	28.6
107.04939	3.6
107.08582	23.3
109.02824	5.0
109.06510	7.8
109.09451	4.2
109.10142	62.0
109.10828	5.5
111.04444	7.0
111.08091	2.8
115.05417	3.3
116.94721	2.9
117.07006	15.9
119.08575	27.0
121.06496	6.9
121.10118	21.9
123.08064	5.4
125.09606	8.3
127.03860	4.7
128.06218	3.7
129.06995	10.3
131.08534	21.9
133.06451	4.9
133.10130	18.1
135.08028	7.7
135.11665	10.5
137.06029	3.9
137.09573	6.4
141.06921	3.4
143.08528	8.0
145.10104	14.4
147.08041	3.5
147.11635	13.7
149.09566	4.3
155.08542	4.8
157.10117	6.8
159.11688	11.5
161.09581	4.2
161.13220	6.1
163.11205	3.2
167.08437	2.8
167.10698	2.9
169.10046	6.6
171.11665	6.7
173.09555	3.8
173.11707	14.0
173.13242	8.0
175.14705	3.5
181.12338	2.9
183.11685	3.9
185.13258	4.4
187.11122	3.0
187.14758	5.4
189.11139	6.1
195.11662	3.2
199.14731	3.2
227.12631	3.0
229.14250	21.0
245.13631	4.3
259.20520	3.6
277.21472	4.0
289.21536	2.8
290.55746	2.8
299.14771	4.1
301.21597	5.5
303.23117	3.1
319.22647	3.4
331.26273	4.8
339.23679	2.8
341.24799	4.2
351.23105	7.3
353.24652	3.9
355.17297	4.5
369.24063	11.9
387.25339	7.1
425.27197	3.1
443.27966	7.2
461.28699	8.6
489.35803	3.9
547.35535	4.3
597.37286	8.0
615.38489	15.1
633.39807	83.3
634.40082	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	633.3777
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
55.05502	3.5
57.07060	0.8
60.44199	0.6
67.05502	4.7
69.03419	1.6
69.07075	3.7
69.07388	0.5
69.33344	1.9
69.33772	3.8
79.05475	2.9
81.03416	1.0
81.07047	9.7
83.04962	2.0
83.08604	3.0
84.08129	0.6
85.10117	0.6
91.05475	10.0
93.07026	7.6
95.04959	1.8
95.08597	12.3
97.06528	1.0
97.10160	1.5
105.06373	0.8
105.07018	9.8
107.08582	11.9
109.06533	1.5
109.10137	6.1
111.08093	0.5
117.07000	1.4
119.04926	14.7
119.08562	12.3
121.10130	10.8
123.04395	0.7
123.08053	1.2
123.11685	2.9
125.09599	0.9
129.06989	1.6
131.08560	5.1
133.10115	10.2
135.08060	1.6
135.11681	6.5
137.09662	0.6
137.13242	2.3
139.07552	0.5
142.07808	0.7
143.08514	3.2
145.06560	0.8
145.10101	8.5
147.04393	65.4
147.11688	5.8
148.04695	1.2
149.09592	1.9
149.13251	6.7
151.11145	1.1
155.08543	1.3
155.10619	0.5
157.10115	3.2
159.08081	0.8
159.11641	5.3
159.12714	0.6
161.09648	2.0
161.13223	4.3
163.11194	1.6
163.14819	3.7
165.05476	10.2
165.09138	0.6
165.12793	0.8
169.10149	2.1
171.11681	3.5
173.09601	0.7
173.13217	4.5
175.11163	1.4
175.14789	7.3
177.09114	0.8
177.16364	5.6
181.10118	1.1
181.12103	0.6
182.10941	0.8
183.11630	1.9
185.13260	1.6
187.11206	1.1
187.14798	7.2
189.12694	1.9
189.16367	16.2
190.16640	0.8
191.17816	0.7
195.11688	0.9
197.13269	2.2
199.14793	4.2
201.12694	0.8
201.14732	0.6
201.16284	3.1
203.14319	1.0
203.17931	3.5
205.15831	4.8
209.13260	1.5
211.14803	1.7
213.16370	2.1
215.14281	2.6
215.17928	1.3
217.15849	5.6
219.13867	0.7
223.14838	0.9
225.16336	1.3
227.14359	1.4
227.17972	2.2
229.15921	0.9
231.17361	0.7
233.15318	3.0
235.16945	1.7
237.16385	0.9
239.18045	1.4
241.19501	1.3
243.17494	0.9
245.18922	0.6
253.19527	1.5
255.17422	1.5
265.19632	1.1
267.21091	0.6
271.20602	2.0
273.18518	0.7
289.18051	0.8
299.20105	1.0
323.23422	0.8
349.25323	0.7
361.28772	0.9
369.24304	0.8
379.30042	0.9
387.30170	0.9
397.61444	0.6
405.31506	6.6
407.29187	1.3
423.32510	10.0
425.30374	2.6
433.31039	3.3
439.32077	0.7
451.32053	18.6
452.32404	0.8
469.33087	100.0
470.06635	0.7
470.33472	5.4
521.60187	0.6
536.72101	0.6
615.37836	0.8
633.34070	2.6
633.42090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	3.3
69.21471	1.9
70.96864	1.9
70.97211	6.5
78.55788	2.2
81.03417	4.3
85.02864	4.1
95.01323	2.3
95.04928	2.5
95.11976	2.1
97.02869	3.1
109.02864	7.0
111.34463	2.1
118.06521	2.0
123.04374	2.3
137.02327	7.1
146.05971	5.4
153.01816	5.5
163.03908	3.9
163.43584	2.1
165.01866	4.7
175.03929	2.4
177.01730	2.2
188.07028	10.7
191.03456	2.6
193.01297	6.6
195.02881	18.8
201.01930	3.1
202.02423	2.1
203.03377	4.9
205.09738	6.2
207.02797	4.6
215.03400	4.3
219.02878	8.0
221.05965	4.0
225.05486	2.2
229.01091	2.5
230.02000	3.6
231.02802	7.8
237.05452	3.3
241.46297	2.1
245.05943	2.6
247.02377	11.7
248.03209	3.1
249.05373	4.0
253.04968	3.2
257.00635	3.2
259.02206	12.5
265.04916	4.9
269.04376	3.5
275.01624	15.5
276.02603	30.9
277.03253	24.5
281.04462	5.7
283.06003	4.5
293.04401	5.5
295.05786	3.7
297.03943	4.2
300.99783	5.0
302.00540	5.0
303.01297	23.4
305.04303	6.8
309.03888	7.3
311.05276	4.9
319.05844	4.2
321.03830	7.9
325.03265	5.2
326.55984	2.4
327.05042	6.0
331.05972	3.4
333.03882	4.5
337.03366	11.6
339.04922	5.5
345.04053	2.8
347.05511	3.7
349.03430	9.0
351.04919	4.9
353.02817	6.9
355.04349	5.1
359.05453	3.2
361.03448	6.5
363.01273	5.7
363.05151	4.7
365.02817	17.0
367.04398	8.3
373.03256	3.1
375.05161	5.3
377.02844	8.7
379.04315	7.5
381.02390	7.2
383.03854	11.0
387.05148	3.5
389.02505	10.0
391.04510	5.7
393.02332	9.7
395.03973	9.2
403.04471	8.4
405.02045	10.0
407.04105	4.7
409.01678	8.4
411.03214	4.5
413.04391	2.6
419.03848	6.4
421.01666	6.5
423.03265	8.4
427.02969	2.6
431.04092	4.5
433.02023	3.5
435.03445	6.9
437.01190	22.7
439.02863	56.7
441.03473	3.8
443.03571	3.0
447.03452	5.9
449.01138	6.4
451.02835	18.7
453.04736	4.8
455.02274	19.0
457.03290	2.5
459.03271	9.5
461.04993	4.0
462.72757	2.4
463.02872	7.1
465.00403	4.6
467.02109	12.0
469.03955	100.0
469.10648	4.9
471.02847	3.8
475.02948	5.6
481.03915	4.0
487.02832	9.8
489.04504	6.1
491.02185	6.6
493.04117	17.2
495.01791	75.7
505.03983	28.7
507.05411	11.8
513.02844	3.6
517.03979	29.6
523.05054	24.8
535.05054	37.5
553.05786	14.9
597.04352	3.4
615.05725	4.8
633.07135	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	632.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01858	1.1
55.05258	0.6
55.05503	7.2
57.03434	9.7
57.07062	1.1
59.04978	0.4
61.02920	1.9
63.06750	0.4
65.03939	0.6
67.05495	31.5
68.07097	0.3
69.03414	1.2
69.07060	7.4
71.01354	2.3
71.04980	3.5
71.08614	0.5
73.02896	0.7
79.05482	25.2
81.03407	8.7
81.07047	15.9
83.04964	6.7
83.08611	4.9
85.02891	3.7
85.06537	2.5
91.03925	0.9
91.05470	10.3
93.07030	30.5
95.04951	5.5
95.08591	6.6
97.02878	1.1
97.06516	7.0
97.10155	7.2
98.21235	2.4
99.04436	0.5
99.08076	1.8
105.04500	0.4
105.07011	4.9
107.04939	1.4
107.08577	20.5
109.06496	1.1
109.10141	8.4
111.08104	2.0
111.11765	0.5
113.05977	0.5
117.07008	3.5
119.08562	6.0
121.06474	1.1
121.10133	5.9
123.08049	0.8
123.11700	0.6
125.05966	0.4
125.09602	1.7
129.06985	1.2
130.07765	0.8
131.08562	1.8
133.10104	3.8
135.08047	1.2
135.11673	33.7
137.09528	1.9
139.11125	0.5
143.08549	0.7
145.10094	7.3
147.11682	2.4
149.09605	0.6
149.13211	1.1
151.11185	0.6
153.12709	1.0
157.10123	1.2
163.11153	5.6
171.11673	0.9
173.11726	1.5
175.11156	1.8
181.12204	6.7
189.11223	0.4
193.12190	4.0
199.13211	1.0
211.13243	4.9
220.94844	0.4
227.12752	1.1
229.14308	3.3
246.59491	0.4
255.15871	49.4
259.72922	0.4
267.15887	2.5
269.17474	3.1
277.21674	1.1
281.17502	0.9
285.16919	5.3
351.25195	1.3
369.26389	0.7
394.62579	0.4
417.26645	0.5
417.38803	0.4
421.25626	0.6
435.27374	100.0
436.27795	1.3
439.26791	6.5
461.28973	1.7
479.29965	6.8
543.36884	1.0
561.38269	1.8
579.39392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01848	1.5
55.05490	1.3
57.03410	1.3
58.62651	0.3
59.04982	0.4
61.02940	0.4
67.05482	0.6
69.03419	9.3
71.04983	5.5
71.61810	0.7
73.02896	0.8
79.05477	0.6
81.03404	26.6
81.07025	0.6
83.04966	4.8
85.02881	1.8
87.04443	0.5
91.05478	0.6
93.07040	0.7
95.04971	0.5
95.08590	0.8
97.02860	0.7
97.06502	0.5
99.04436	12.9
103.03917	1.3
105.07024	0.8
107.04907	0.5
107.08572	0.6
108.40248	0.4
109.02867	11.5
109.06476	0.6
112.55888	0.3
114.92759	0.4
117.05470	2.7
118.06528	1.2
120.08051	0.4
121.02895	0.4
121.06480	1.1
123.04455	0.5
127.03896	3.2
129.40724	0.4
131.04903	0.5
131.08620	0.4
135.11623	0.5
137.05966	1.1
137.09583	0.5
145.07576	2.2
147.07961	0.5
147.09132	7.5
151.03847	0.5
153.01784	2.2
162.07820	0.8
163.08620	1.0
167.06992	1.3
173.07092	7.2
175.08641	10.9
177.05545	0.5
190.07260	0.5
191.08124	100.0
192.08545	0.7
199.08675	0.7
203.08183	0.7
204.08908	1.5
205.09735	0.7
211.09692	0.5
215.11897	0.5
217.12111	0.5
218.12471	0.5
218.45685	0.4
227.08163	0.4
231.11252	1.3
233.09163	1.3
235.13335	0.7
243.11215	0.9
253.14342	0.7
254.14600	1.1
271.10739	2.3
272.69122	0.4
289.11816	7.9
307.12830	33.9
308.12958	0.4
325.13879	34.8
326.14224	0.5
331.12802	6.6
349.13882	12.3
349.18207	0.6
371.15875	1.5
389.16965	5.2
397.13852	4.1
398.18756	0.7
407.18076	2.3
409.16092	0.6
415.14917	12.7
415.20471	0.6
433.15985	21.8
448.34906	0.4
451.17059	29.9
469.18442	0.9
511.19278	0.7
612.73700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34765	1.3
53.03937	4.4
55.01857	5.9
55.05500	28.1
57.03432	16.8
59.04985	4.2
59.74855	1.7
65.03918	4.0
66.00738	1.5
67.05495	83.6
69.03415	6.3
69.07063	22.3
69.59035	10.7
71.04980	8.3
79.05482	40.6
81.03409	58.3
81.07045	60.4
82.98359	1.3
83.04971	15.6
83.08607	31.8
85.02889	21.7
85.06544	4.8
91.04897	2.3
91.05470	49.0
93.07031	39.6
95.04955	33.6
95.05548	2.5
95.08593	26.3
97.02895	2.7
97.06531	9.7
97.10149	15.0
105.07012	35.0
107.04949	9.8
107.08582	30.9
109.06491	7.3
109.10140	50.7
110.10468	1.8
111.04469	2.6
111.08054	14.0
113.05969	2.6
117.07008	8.7
119.08559	34.6
121.06511	4.7
121.10133	17.4
122.10372	1.5
123.08076	3.9
123.11687	5.1
125.09620	10.4
129.06964	11.9
131.08548	18.6
133.06442	3.4
133.10118	18.9
134.10382	1.5
134.99319	1.4
135.08044	4.5
135.11633	3.4
137.09579	4.9
142.07762	3.6
143.08580	2.9
145.10101	12.4
147.08022	3.5
147.11681	23.7
149.09618	10.8
149.13260	6.8
153.09090	1.5
155.08653	2.0
155.10637	1.5
157.10110	15.8
159.11687	6.6
161.09564	1.9
161.13220	2.8
161.19287	1.4
163.09769	1.3
163.11201	5.6
165.09108	1.9
165.12764	3.7
169.10081	1.9
173.11726	12.1
173.13263	3.6
175.11191	18.8
177.12756	3.5
189.11212	5.9
193.12219	48.7
195.13832	2.9
197.13274	1.7
205.11990	1.4
208.78056	1.7
211.13260	70.0
227.12733	14.8
229.14328	41.3
236.05510	1.5
239.17900	2.4
242.46217	1.4
257.18958	6.0
267.15863	31.0
269.17407	15.2
275.20004	28.6
275.22742	2.3
285.16919	61.6
293.21121	3.5
331.22784	1.5
349.23700	26.3
358.25305	1.7
367.24847	14.7
392.60889	1.6
421.25803	17.0
439.26837	100.0
440.27386	4.1
443.27869	2.1
455.26318	2.6
461.29102	12.3
479.30029	38.8
541.35059	12.1
559.36176	28.3
577.37158	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	630.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.7
54.55152	2.4
55.01876	14.5
55.05506	44.0
57.03429	17.4
57.07051	5.5
59.04969	4.2
60.62818	2.9
65.03932	4.1
67.05495	92.9
69.03411	8.7
69.07057	25.8
71.01336	6.9
71.04988	12.8
71.08620	39.6
71.63224	3.8
72.43954	2.6
73.43795	2.6
79.05483	64.9
81.03407	62.6
81.07043	100.0
83.04962	29.1
83.08612	37.6
85.02888	17.8
85.06509	7.5
91.05470	68.2
92.05765	2.8
93.07031	58.4
95.04952	41.0
95.08591	47.7
96.08901	3.3
97.02885	4.6
97.06506	17.6
97.10159	17.2
99.08075	26.9
103.05461	2.9
105.07011	49.7
107.04960	12.6
107.08572	29.0
109.06506	10.2
109.10155	23.7
111.04407	5.2
111.08076	17.4
115.05433	3.6
117.06984	10.3
119.08562	33.4
120.08865	3.4
121.06476	5.3
121.10130	27.1
123.08041	8.5
123.11662	3.4
123.86913	2.3
125.05962	3.9
125.09627	13.4
129.05487	11.7
129.06979	18.4
131.08534	22.5
133.06474	3.7
133.10110	34.8
135.08043	3.0
135.11664	11.4
137.09598	8.6
139.11128	11.6
142.07748	3.2
143.08554	4.7
145.10117	11.5
147.08009	5.1
147.11624	22.0
149.09569	9.4
149.13228	7.7
151.11172	20.1
157.08907	3.2
157.10106	17.2
159.11678	5.4
161.13242	10.5
163.11151	9.7
165.12762	4.2
173.11716	7.2
173.13080	3.2
175.11096	16.2
175.14810	3.8
177.12718	3.2
179.14275	8.0
187.14832	3.7
193.12222	45.0
211.13251	49.8
227.12823	4.4
229.14217	4.0
259.20593	4.3
267.15878	20.3
268.16556	3.3
269.17398	5.8
277.21597	13.9
285.16864	32.7
293.21115	3.9
301.16461	11.0
351.25272	34.2
365.23172	3.2
367.24997	2.7
370.85135	2.5
380.78378	2.7
383.24173	11.5
439.26645	4.2
453.27936	3.2
460.27756	4.1
463.30685	11.7
479.29819	6.3
495.29355	13.3
543.35803	3.8
561.37701	16.8
577.37305	4.0
630.41931	5.3
631.32397	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	630.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01868	2.7
55.05494	3.7
57.03433	1.4
67.05495	6.7
69.03419	7.2
69.07057	5.8
70.04283	0.8
71.04973	3.5
71.53539	0.8
71.62610	1.3
71.63039	1.2
79.05475	8.1
81.03400	11.9
81.07040	15.4
83.04974	2.9
83.08605	1.2
83.63974	0.9
85.02888	15.4
85.06528	3.6
90.03650	0.9
91.05463	7.8
93.07027	19.3
94.07354	1.6
95.04952	3.2
95.08607	7.2
97.02873	4.1
97.06507	6.3
99.04453	6.5
103.05473	1.6
105.07011	23.6
106.07340	1.5
106.85276	0.8
107.04920	1.8
107.08571	21.7
109.02855	14.2
109.06506	6.8
109.10159	4.3
109.77283	1.1
111.04398	1.9
111.08065	3.2
113.05997	2.2
117.06996	3.5
119.08560	19.7
120.08867	1.2
121.06475	7.6
121.10118	18.1
123.04431	1.6
123.08044	3.5
123.11697	13.2
124.03938	2.3
125.05973	2.4
125.09592	1.0
127.03902	10.5
127.07509	1.6
128.06201	1.2
129.06937	1.6
130.07765	2.0
131.08568	6.1
133.06444	7.7
133.10126	4.7
135.04385	1.1
135.08032	3.9
135.11684	7.2
136.06136	2.9
137.05922	4.8
137.09578	1.6
138.06377	1.0
139.07515	2.0
139.11140	1.5
141.06998	1.1
143.08521	3.4
145.10098	29.0
147.04337	1.6
147.08032	2.6
147.11674	30.2
148.11980	1.4
149.05925	1.3
149.09598	6.6
151.03874	1.2
151.07507	3.0
151.11136	0.9
153.01785	1.9
155.08594	1.0
156.09425	5.6
159.08029	1.4
159.11703	1.7
161.05891	1.9
161.09535	1.5
161.13266	1.6
163.07455	1.1
163.11159	31.7
165.05502	1.2
165.09048	1.6
165.12737	2.2
167.07025	5.2
167.10655	9.4
168.07358	2.2
169.08582	15.2
171.11665	5.7
173.09586	4.0
174.10379	1.9
175.07402	1.2
175.11206	0.9
177.09138	0.8
181.04971	1.5
181.08641	1.3
181.12198	6.6
185.11710	2.4
189.12718	100.0
190.13127	2.4
191.10643	19.2
193.08510	1.0
193.12216	2.1
197.11705	2.9
198.12099	1.9
205.12224	2.1
207.13770	17.3
209.08102	2.8
209.11674	19.6
217.12276	1.8
218.12517	1.2
225.14751	1.8
227.12750	48.0
229.14268	1.2
235.13316	2.3
245.13791	4.1
253.14307	2.8
254.14606	3.1
268.08115	2.2
269.13861	9.4
289.14334	3.6
299.12451	1.3
309.16803	1.0
317.13828	2.9
335.14841	9.7
353.15912	35.4
354.16226	1.0
371.16937	23.1
371.21622	1.2
389.18027	9.0
631.26917	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80162	0.4
51.02362	0.5
52.97749	0.4
53.03931	0.9
55.01854	1.1
55.05502	2.5
57.03441	0.6
57.07056	0.7
59.04976	0.6
61.02922	0.5
65.03940	0.6
67.05496	5.1
69.03419	3.9
69.07056	3.6
70.06611	0.4
71.04974	1.8
71.62945	0.6
73.02885	0.8
79.05485	5.6
81.03415	3.5
81.06568	0.7
81.07043	14.0
83.04955	3.4
83.08591	1.5
84.08140	2.4
85.02899	3.4
85.03380	0.6
85.06518	2.4
87.04417	0.5
91.05461	5.5
93.03411	0.6
93.07028	13.4
95.04962	3.6
95.08596	7.8
96.00918	0.4
96.08913	0.6
97.02885	2.3
97.06506	4.4
97.10115	0.8
99.04441	3.0
99.08098	0.7
101.06007	0.5
103.05463	0.9
103.24633	0.4
105.07020	12.8
106.07391	0.4
107.04929	2.5
107.08578	31.2
109.02856	3.4
109.06492	5.2
109.10143	6.0
111.04399	1.1
111.08080	2.8
113.05975	0.9
113.09663	0.4
115.05456	0.8
117.06985	0.5
119.04929	0.9
119.07783	0.7
119.08572	9.9
121.02834	0.5
121.06488	9.3
121.10131	7.3
123.04409	1.6
123.08052	3.0
123.11702	3.2
124.03954	0.5
125.05962	2.6
125.09596	1.1
127.03905	3.9
127.07555	2.0
128.06157	0.4
128.07710	0.5
129.06973	1.7
131.04886	0.8
131.08565	2.7
133.06479	1.6
133.10110	16.8
135.04378	1.1
135.08040	4.5
135.11714	2.3
137.05966	6.4
137.09599	1.5
137.13237	0.7
139.07521	3.7
141.05414	0.6
142.07736	0.6
143.07054	1.2
143.08565	2.7
145.04893	0.5
145.06451	1.2
145.08591	0.3
145.09085	0.4
145.10081	3.0
147.04359	0.9
147.08012	1.7
147.11668	9.3
149.05951	1.1
149.09569	4.8
149.13246	1.4
151.03862	1.0
151.07533	2.9
151.11165	7.2
153.01825	2.3
153.05444	0.9
153.09029	0.6
155.08688	0.4
156.09261	0.7
157.08818	0.7
157.10114	3.6
159.07994	0.8
159.11678	1.5
161.05989	1.7
161.09586	6.1
161.13211	2.4
163.07512	1.7
163.11179	1.8
163.14828	0.5
165.05489	0.7
165.06969	0.5
165.09145	1.1
165.12738	4.1
166.07706	0.6
167.07024	6.1
167.10649	12.8
169.08656	0.5
169.12213	1.1
171.11678	2.4
173.09615	1.1
173.13242	1.1
175.05766	0.4
175.07457	1.3
175.11157	6.1
177.05417	1.4
177.09119	2.5
177.12805	0.7
179.07082	1.2
179.10649	15.8
180.10881	0.5
181.04890	3.8
181.08563	0.8
181.10100	0.7
181.12119	0.6
183.08090	0.4
183.11685	0.5
187.06009	0.8
187.11156	0.9
189.09113	0.8
189.12724	5.0
191.07094	0.5
191.10641	1.7
191.14285	0.4
193.08603	1.2
193.12262	5.4
195.10074	0.6
197.11705	100.0
198.12115	0.7
199.11169	2.8
201.16356	0.6
203.06926	0.5
205.06940	0.5
205.08731	0.8
206.12592	0.5
207.06461	0.9
207.13728	2.8
209.08089	1.9
209.15359	1.2
211.13219	2.4
215.58005	0.4
217.12202	13.0
219.06459	0.4
229.14313	1.3
233.08055	0.8
235.13251	13.0
251.12698	0.5
253.14319	18.4
254.14650	0.6
271.15503	2.0
295.15433	0.5
325.13989	0.4
343.15244	1.1
355.17719	0.6
359.17041	4.2
361.16342	3.1
379.17493	5.3
397.18509	4.5
403.13824	0.5
413.30603	0.7
415.19611	1.0
431.31656	0.9
455.22604	0.7
551.28418	0.5
575.28314	1.6
593.29456	1.4
611.30762	1.3
629.22882	1.0
629.36298	1.8
637.02362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27837	0.2
53.03922	0.3
53.55706	0.2
55.01865	0.4
55.05512	0.4
57.03423	0.9
58.49324	0.2
59.38531	0.2
59.59793	0.2
65.03922	0.4
67.05482	0.8
67.55991	0.2
69.03417	1.0
69.07054	0.6
71.04984	1.2
71.62109	0.2
73.02871	0.3
75.04453	0.3
78.04688	0.5
79.05481	1.5
81.03395	1.0
81.07055	1.1
82.03745	0.4
82.07423	0.2
83.04984	0.3
83.08601	0.3
85.02895	1.6
85.06553	0.3
91.05457	1.9
93.03432	0.3
93.07020	1.4
95.04976	1.3
95.08587	0.8
97.02898	0.6
97.06545	0.4
99.04447	0.4
103.05447	0.3
105.07016	2.2
106.02890	0.8
106.04153	0.7
107.04937	2.1
107.08564	0.7
108.05727	0.2
109.02869	0.6
109.06519	0.5
109.10149	0.7
111.04450	0.5
115.05412	0.4
117.07019	0.7
119.04912	0.7
119.08575	0.6
121.02869	0.3
121.06511	1.8
121.10131	0.7
122.03629	0.4
123.04419	2.9
123.08051	0.6
123.11710	0.4
124.03962	1.2
124.05181	0.9
125.04280	0.4
125.05972	0.4
127.03874	0.7
129.06970	0.5
131.04892	0.7
133.06468	1.8
133.10094	0.5
135.04414	0.4
135.08037	0.7
135.11713	0.3
137.05963	4.6
137.07021	0.2
137.09579	0.3
138.06303	0.6
145.06467	0.5
145.10162	0.3
147.04402	0.7
147.11670	0.5
149.05966	3.0
149.09566	0.3
151.03894	0.8
151.07521	2.2
152.04633	0.8
152.07953	0.2
153.01840	1.5
153.05423	1.2
155.07019	0.5
157.06493	0.4
159.04305	0.3
159.11743	0.2
161.05972	2.0
161.09666	0.3
163.03896	0.4
163.07512	0.7
163.11110	0.3
165.05460	0.8
165.09134	0.5
166.06270	0.4
167.07019	100.0
168.07390	2.1
169.04861	0.2
173.05960	0.7
174.06697	0.3
175.07504	0.6
177.05479	1.0
177.09097	1.0
177.16486	0.3
179.06917	1.0
180.64362	0.2
181.04951	2.8
181.08549	2.3
182.09366	0.2
183.06490	0.3
187.07526	0.3
189.09061	0.8
190.09456	0.3
191.06990	0.4
191.10539	0.3
193.08578	6.2
193.10278	0.4
203.06966	0.4
205.08630	0.4
207.06519	0.4
207.10112	0.2
209.08070	2.8
211.09628	10.9
217.08635	0.3
219.10072	0.2
227.10837	0.3
228.10909	0.5
230.72391	0.2
235.09631	0.6
237.11218	0.4
241.10666	1.3
253.08665	0.4
256.10507	0.3
267.09683	0.3
267.12283	3.1
268.08087	0.6
269.08386	0.5
269.17422	0.3
285.13339	11.2
287.12970	0.3
288.12952	0.4
331.11993	0.3
331.15231	1.3
332.15707	2.4
344.15909	0.2
357.12753	0.3
373.13306	0.3
385.12711	0.3
403.13739	0.4
483.21918	0.9
531.21924	0.4
589.14105	0.3
599.23090	1.8
611.23511	0.3
629.22522	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2234
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.05484	1.0
65.03909	0.6
67.05495	2.7
69.07029	1.3
69.46667	4.0
78.41590	0.5
79.05432	2.1
81.03371	0.8
81.07036	2.7
83.08578	0.9
91.05437	1.7
93.06966	1.7
95.04940	0.8
95.08535	1.8
97.06480	1.1
98.21564	0.7
105.06977	1.5
107.04913	0.7
107.08517	1.8
109.10092	1.4
117.06931	0.6
119.08557	0.7
121.10094	0.8
131.08487	0.6
133.10048	1.4
145.10060	0.8
147.11597	1.1
149.09540	0.5
396.12381	1.5
397.12759	2.5
398.13666	1.0
399.14331	0.9
400.14886	0.8
409.12936	1.0
410.13629	2.7
411.14456	6.2
412.15286	5.0
413.15903	4.5
414.16760	0.6
423.14810	1.2
424.15173	2.4
425.16238	15.5
426.16858	10.5
427.17642	3.5
428.18695	3.4
429.19431	0.9
437.16101	0.9
438.12143	2.8
439.13528	21.5
440.13477	1.6
440.19095	8.1
441.19232	44.8
442.19681	3.3
443.17349	0.6
452.14401	3.8
453.15329	24.3
454.15640	6.5
455.16681	0.7
456.17929	1.2
457.14734	0.9
458.15591	0.8
459.20129	0.8
463.13739	0.8
466.16876	0.6
467.17108	25.3
468.17868	24.2
469.18723	14.8
470.19861	0.6
471.16568	1.8
472.17093	1.7
480.16751	2.2
481.14395	9.6
482.15851	2.3
483.16064	0.7
484.21942	3.4
485.18039	2.0
485.22546	1.1
486.18307	0.8
487.19135	0.7
494.18387	1.4
495.16873	2.3
496.17047	13.0
497.17642	2.3
498.18781	1.6
499.19775	1.7
500.20599	5.5
508.19452	1.8
509.18637	1.9
510.19452	0.7
512.20941	3.1
513.21881	6.1
514.21735	1.6
523.19629	2.0
526.18201	0.8
528.20367	1.2
531.22540	0.7
537.19214	1.6
540.16681	0.8
541.20789	45.5
542.21063	4.3
551.20203	1.0
553.20728	0.9
569.20209	96.0
570.20532	8.7
572.18762	1.4
573.23395	3.0
597.19647	30.9
598.19830	2.0
600.22058	1.3
601.22919	15.1
602.22882	0.7
615.20538	2.6
616.20770	0.7
629.22241	100.0
630.22461	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	628.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89252	1.9
53.03924	9.7
55.01863	16.9
55.05255	2.9
55.05502	39.5
55.74689	2.2
57.03423	27.8
57.07049	5.2
63.82032	1.8
65.03915	6.1
67.05492	100.0
69.03413	11.0
69.07056	70.1
70.87721	2.2
70.88085	6.5
71.01314	3.1
71.04971	9.5
73.02893	3.5
73.06509	2.8
79.05481	74.4
79.70073	2.3
81.02911	3.2
81.03403	66.7
81.07043	88.5
82.04181	3.1
83.04983	27.0
83.08612	33.8
85.02895	18.1
85.06520	4.7
91.05465	92.6
93.07025	64.6
95.04950	44.0
95.08591	48.6
97.02874	4.2
97.06518	23.0
97.10139	13.7
99.08073	3.8
103.05462	2.2
105.07015	60.7
107.04937	19.3
107.08581	36.0
109.06492	12.3
109.10136	23.1
111.04430	2.4
111.08054	12.2
115.05486	2.3
117.06974	16.1
118.66153	2.4
119.04935	2.8
119.07777	4.3
119.08568	49.1
121.06483	7.5
121.10126	21.3
123.08031	15.4
123.11694	4.0
124.86803	2.1
125.09656	10.2
129.05440	8.7
129.06975	15.8
131.08543	27.6
133.06476	8.1
133.10123	33.4
133.44350	2.0
135.08005	4.6
135.11685	18.0
137.09590	15.1
142.07727	6.4
143.07047	2.6
143.08495	3.2
145.10097	15.9
147.08017	6.4
147.11659	25.8
149.09589	20.8
149.13228	4.7
151.11188	5.8
157.08807	3.8
157.10089	21.0
159.11664	8.4
161.09645	2.6
161.13298	5.2
163.11137	15.2
165.12756	4.7
171.10178	2.4
171.11661	5.7
173.11723	5.3
173.13214	5.6
175.11168	19.8
177.12698	4.1
179.10678	2.2
179.14195	4.8
181.12276	2.8
183.11810	2.1
185.13194	3.3
189.11235	3.5
193.12215	49.9
195.13779	2.7
199.13129	3.2
211.13269	46.6
227.12741	5.1
229.14293	5.0
229.19582	2.6
239.17982	2.3
247.20619	2.7
253.14471	2.8
255.15782	4.5
257.18924	7.8
267.15881	22.6
269.17395	7.7
273.18506	3.6
275.20056	30.5
285.16940	43.8
291.19485	8.0
293.20850	2.6
299.90689	2.3
301.16446	15.9
349.23700	36.1
381.22763	3.5
439.26544	3.4
463.30264	5.9
465.27911	2.5
479.29868	3.0
481.27969	3.0
495.29477	10.6
499.96515	2.4
541.35004	10.6
559.36285	19.7
575.35223	5.7
619.11743	2.3
628.39978	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	628.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
55.01862	15.1
55.05257	3.6
55.05503	44.4
55.05754	5.0
57.03429	24.7
57.07071	3.7
60.14090	2.4
65.03920	4.2
67.05495	99.8
69.03401	9.9
69.06715	3.2
69.07058	43.2
69.43193	22.8
71.01333	6.8
71.04975	9.3
73.02895	2.3
79.05485	88.8
81.03407	60.4
81.07044	100.0
83.04974	29.7
83.08607	34.6
84.98923	2.2
85.02885	16.7
85.06506	6.7
85.66849	2.2
88.07620	2.5
91.05469	82.5
93.07029	74.6
93.07617	3.6
95.04957	42.2
95.08598	54.5
97.02850	4.9
97.06520	16.9
97.10159	16.0
98.07275	3.1
99.04430	3.1
99.08076	6.0
103.05446	2.8
105.07012	64.1
107.04949	15.9
107.08576	55.7
109.06499	15.5
109.10143	27.6
111.04414	5.6
111.08085	14.1
115.05409	3.5
116.04687	4.5
117.06994	18.0
119.08568	52.8
121.06496	7.6
121.10110	29.5
123.08031	14.6
123.11673	7.7
125.09622	9.6
129.05460	10.6
129.06982	17.7
131.08549	27.3
133.06470	3.7
133.10120	50.5
135.08025	8.7
135.11668	33.3
137.09625	8.2
137.13225	2.5
142.07721	2.5
143.08528	6.1
145.10063	21.6
147.08003	7.4
147.11667	31.9
149.06068	2.4
149.09605	12.6
149.13225	11.8
150.96872	3.6
151.11148	8.6
157.08775	3.7
157.10104	17.4
159.11624	8.0
161.09531	3.6
161.13220	5.7
161.27693	2.4
163.11142	11.7
165.12689	4.4
171.11646	5.6
173.13197	4.7
175.11148	20.2
175.14745	5.3
177.12737	2.8
177.16309	5.7
181.12268	2.7
187.14780	3.6
189.11179	4.3
189.16354	7.4
193.12215	39.5
195.13770	6.5
199.13268	5.1
201.16425	2.5
203.17882	2.8
205.15865	7.7
207.06465	6.2
211.13246	37.1
227.12712	9.8
243.11224	3.4
243.16066	2.8
253.14297	5.1
255.15837	24.5
257.18939	4.2
267.15848	21.4
268.16498	3.2
269.17395	19.0
275.20047	13.2
283.15311	4.8
285.16861	30.3
291.19315	4.0
301.16434	23.4
324.13879	3.0
347.02896	2.5
349.23697	11.8
365.23077	3.5
399.10669	4.3
433.19083	2.8
465.28278	7.9
466.19431	3.1
479.29904	3.8
481.27991	8.0
495.29630	19.4
550.24762	4.3
559.36188	4.6
568.26245	26.6
575.35413	8.7
587.22003	2.8
587.30334	43.9
588.30206	4.0
596.25720	27.4
605.31018	11.0
625.62158	2.5
628.28241	15.7
628.33771	11.6
629.31799	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.3
55.01854	0.8
55.02115	0.2
55.05503	2.1
57.03167	0.2
57.03427	4.1
57.07060	0.5
61.02913	4.3
65.03906	0.4
67.05494	13.4
69.03410	0.9
69.07059	5.3
69.67739	0.3
71.04980	1.4
71.62402	0.4
73.02917	1.8
79.05482	6.3
81.03398	1.0
81.07044	18.6
82.06571	2.4
83.04958	2.0
83.05367	0.3
83.08606	3.3
85.02889	5.6
85.06524	1.7
91.03945	3.6
91.05467	3.4
93.07030	15.1
95.04948	1.5
95.08593	5.4
97.02859	2.2
97.06516	3.6
97.10155	0.4
99.04448	1.0
99.08071	0.9
100.76594	0.2
105.07005	2.2
107.04926	0.6
107.08577	7.9
109.02847	0.7
109.06487	1.0
109.10126	1.8
111.04418	0.3
111.08064	2.6
111.11752	0.4
113.09650	0.4
115.03880	0.4
117.07024	2.1
119.04932	0.3
119.08574	1.1
120.05241	0.3
120.08074	0.3
121.06488	0.7
121.10121	5.2
121.65864	0.3
123.04404	0.6
123.08027	0.4
123.11692	1.1
124.03903	0.3
125.05952	0.4
127.03890	1.8
127.07545	0.3
129.07005	0.3
131.04918	0.4
131.08556	2.6
132.08862	0.4
133.04921	0.3
133.06494	0.4
133.10130	2.4
135.04404	0.3
135.08034	0.7
135.11662	2.6
137.05940	1.4
139.11168	0.7
145.04938	1.7
145.10068	0.4
147.04390	0.8
147.11658	0.9
149.05899	0.3
149.09662	0.4
149.13237	13.0
151.03922	0.7
151.11162	0.3
153.01814	0.7
159.11658	5.9
163.06009	2.4
163.07300	0.5
163.11206	0.3
165.05437	0.5
167.07011	1.5
173.13184	0.3
175.03682	0.3
177.05463	1.0
177.09045	0.5
177.12718	3.1
179.03412	0.4
181.04918	0.7
187.14998	0.3
189.09174	0.3
191.07101	0.3
193.04832	0.3
195.13782	4.4
196.77225	0.3
197.07988	0.4
207.06456	0.3
213.14755	0.4
213.49091	0.3
217.08557	0.3
219.10078	0.7
235.13246	0.2
253.14182	0.3
258.09702	3.2
263.08984	0.9
268.08279	0.3
269.17435	100.0
270.17694	1.6
277.77429	0.2
281.24704	0.6
299.25674	0.3
329.10019	0.4
413.21490	0.9
431.22675	3.4
476.19080	0.6
628.23199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.7
55.01864	26.2
55.05258	3.5
55.05503	46.4
55.69242	2.6
57.03410	8.2
57.07052	7.9
59.04986	3.8
65.03916	4.8
67.05497	100.0
69.03417	5.1
69.07055	40.4
71.04961	9.1
71.08614	2.8
73.15088	2.7
79.05479	75.7
81.03391	3.5
81.07043	95.1
83.04958	4.8
83.08192	2.4
83.08613	19.3
84.56663	2.7
84.99076	2.7
85.06515	5.7
87.08051	2.9
90.57905	2.6
91.05463	59.4
93.07030	79.0
95.04942	12.1
95.08597	67.8
97.06499	28.0
97.10164	14.7
105.07017	64.3
107.04931	15.9
107.08582	64.1
109.06493	8.5
109.10145	35.5
111.08081	4.2
117.06998	23.8
119.08557	39.8
121.10133	31.5
123.08002	5.5
123.11674	12.2
125.09595	13.2
129.06982	11.7
131.08545	33.8
132.00537	2.8
133.10118	41.2
135.08078	5.4
135.11699	18.0
137.09563	3.2
143.08536	9.3
145.10078	31.7
147.11644	22.9
148.91922	3.0
149.09592	27.0
149.13214	11.2
151.11169	10.9
155.08528	8.0
157.10101	10.0
159.11670	25.0
161.13231	16.1
163.11122	10.1
163.14798	3.2
169.01122	2.9
169.10120	6.7
171.10237	3.0
171.11655	12.6
173.11931	3.0
173.13271	16.9
175.14783	3.4
177.12822	4.0
181.10246	3.0
183.11673	4.8
185.13203	11.5
187.14798	8.8
189.11162	7.9
195.11726	3.9
197.13203	8.7
199.14774	6.5
201.16335	4.8
211.14691	4.5
213.16231	3.9
227.12762	16.7
228.87654	2.8
241.19501	3.7
257.18927	11.4
259.20593	3.6
261.22141	6.6
275.20013	68.5
277.21625	4.2
293.21024	15.0
317.24811	5.1
331.22794	3.3
333.24280	3.1
335.25775	56.0
335.29553	1.9
349.23706	35.3
351.24841	3.6
367.29895	5.0
441.33621	3.8
515.37024	12.6
517.40424	5.5
529.38770	7.3
535.41534	4.8
553.42407	5.8
609.45044	95.4
627.45990	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37744	1.6
53.03939	5.8
55.01871	13.9
55.05505	32.0
57.03427	7.7
57.07065	3.4
59.68671	1.7
65.03931	7.6
67.05497	83.7
69.03432	5.1
69.07062	33.3
69.59277	10.4
69.59687	3.6
71.04988	7.3
76.84123	1.6
79.05479	66.3
81.03433	5.4
81.07048	100.0
83.04975	6.8
83.08605	17.8
85.06560	5.5
91.05474	53.8
93.07034	72.7
95.04958	11.3
95.08598	56.7
97.06508	19.9
97.10172	8.1
99.08092	2.3
105.07021	48.1
107.04952	12.3
107.08587	42.8
109.06499	11.0
109.10143	28.3
111.08101	4.5
112.96208	2.0
117.07005	15.5
119.08566	33.1
119.09322	2.2
121.06505	4.3
121.10117	27.2
123.08067	6.9
123.11706	12.5
125.09644	4.5
127.45773	1.8
128.06253	2.7
129.07008	5.3
131.08549	26.5
133.10117	30.0
135.08061	5.0
135.11650	16.6
137.09593	4.9
137.13239	2.5
141.06923	2.3
143.08556	8.8
145.10089	23.2
147.08078	2.2
147.11668	22.4
147.12589	1.8
149.09569	13.5
149.13232	10.4
151.11119	4.7
155.08562	3.4
157.10086	10.1
159.11661	14.7
161.09639	3.2
161.13275	6.6
162.40729	1.7
163.11195	7.7
163.14842	4.0
165.12810	3.7
169.10129	5.5
171.11713	8.1
173.11855	3.1
173.13159	10.7
175.11298	2.6
175.14876	3.8
177.12779	2.9
179.14240	1.8
183.11809	5.8
185.13319	5.7
187.11232	3.2
187.13335	2.0
187.14833	3.7
189.11200	2.9
189.16409	2.3
191.14098	1.9
193.12384	2.0
197.13306	4.8
199.14870	5.0
201.16472	3.1
203.14206	2.1
203.95509	1.8
213.16455	3.1
215.18144	1.9
227.12747	3.8
229.19539	3.2
239.17964	3.6
241.19676	2.3
247.20523	3.6
257.19028	10.6
259.20593	4.0
261.21964	9.3
267.15909	3.5
275.20041	61.2
277.21719	4.2
293.21158	7.5
317.24686	1.9
333.24542	3.5
335.25735	32.0
349.23676	28.8
349.27432	2.0
367.29987	2.1
515.37842	3.7
517.40790	2.8
529.38873	7.7
535.41339	6.2
553.42401	2.7
567.25104	3.4
609.45135	49.1
627.46204	76.7
628.46912	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
53.30656	0.1
53.47885	0.1
55.01846	0.3
57.03425	0.6
61.02918	1.1
65.03917	0.2
66.10815	0.1
68.99778	0.4
69.03070	0.1
69.03418	2.5
69.46847	0.2
69.47260	0.6
71.04967	0.4
73.02893	0.3
78.21517	0.1
81.03403	1.3
85.02893	6.9
87.04434	0.3
87.79922	0.1
91.03935	0.3
93.03380	0.2
94.65076	0.1
95.04938	0.1
97.02877	2.5
98.20758	0.2
99.04423	0.4
101.51649	0.1
107.04842	0.1
109.02863	0.9
111.00771	0.8
121.02859	0.6
123.04369	0.2
127.03893	1.4
135.04366	0.1
137.02324	2.7
137.03377	0.2
138.09100	0.2
145.04941	1.4
145.06053	0.1
145.06454	0.1
149.02368	0.5
151.03833	0.2
153.01791	2.9
153.02968	0.2
161.05936	0.2
163.03900	0.6
165.01826	1.6
166.02539	0.2
167.03268	0.1
173.05984	0.2
179.03287	0.1
183.02853	0.7
183.04355	0.2
187.03879	0.3
191.03406	0.1
195.02779	0.1
201.05406	1.0
205.04855	0.1
215.03369	0.1
219.02802	0.1
219.06506	0.3
229.04913	3.3
230.05284	0.1
247.05991	0.6
257.04413	2.4
274.04727	0.8
275.05365	0.1
277.03391	0.1
285.03864	1.2
286.04562	0.1
302.04251	0.1
303.04938	100.0
304.05286	2.5
345.06000	0.2
465.10245	8.9
466.10464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.01860	0.5
56.03426	0.2
57.03415	0.9
61.02922	3.0
67.05494	0.2
68.42047	0.2
68.99785	0.4
69.03419	2.9
69.59914	1.6
70.99335	0.2
71.04978	0.5
73.02903	0.9
81.03428	1.8
81.07048	0.3
85.02898	12.1
87.04424	0.2
89.69637	0.2
91.03951	1.8
91.05463	0.4
95.04970	0.3
97.02888	4.1
99.04404	0.3
105.07040	0.2
109.02853	1.1
111.00778	0.8
115.03918	0.3
120.36590	0.2
121.02859	0.8
123.04404	0.5
127.03903	2.7
135.04411	0.3
137.02307	2.8
137.05930	0.5
145.04947	3.4
149.02351	0.4
151.03871	0.5
153.01805	4.0
161.05939	0.6
163.03925	0.5
163.05986	0.9
165.01822	2.0
166.02629	0.4
167.07054	0.5
173.05957	0.4
177.05412	0.3
181.04941	0.2
183.02873	0.8
187.03905	0.3
195.02892	0.5
201.05421	1.7
206.04796	0.2
211.71875	0.3
229.04942	3.9
247.06100	0.7
257.04376	2.7
274.04709	0.7
285.04050	1.3
303.04962	100.0
304.05304	3.3
315.04849	0.5
319.04422	0.2
331.04758	0.3
345.06027	0.8
359.48578	0.2
369.06244	0.4
430.83673	0.2
465.10059	1.1
466.10818	0.2
627.27844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
55.01851	0.4
57.03407	0.6
61.02911	1.1
68.99776	0.5
69.03417	2.8
69.07048	0.2
70.06592	0.2
71.04958	0.3
71.61362	0.2
72.73398	0.2
73.02879	0.4
81.03409	0.8
85.02891	9.3
87.04444	0.3
91.03918	0.6
93.03371	0.3
95.08504	0.2
97.02876	3.3
99.04403	0.4
109.02860	1.2
111.00770	0.8
121.02879	1.0
123.04361	0.3
127.03884	2.5
131.04921	0.4
135.04327	0.2
137.02299	2.7
137.05937	0.2
137.09558	0.2
145.04932	2.4
149.02325	0.4
151.03851	0.2
153.01799	3.5
161.05949	0.3
163.03836	0.5
163.05992	0.4
163.07561	0.3
165.01831	1.7
166.02591	0.3
183.02901	0.7
189.21667	0.2
191.03410	0.3
193.66611	0.2
201.05470	1.7
205.04898	0.2
207.03114	0.2
219.06512	0.4
229.04932	3.9
232.03763	0.2
237.40475	0.2
240.07509	0.3
247.05981	0.7
257.04361	2.7
274.04694	0.6
285.03891	1.3
303.04932	100.0
304.05316	2.8
315.04788	0.3
345.05917	0.7
447.09354	0.2
465.10211	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	626.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.3
55.01862	26.4
55.05252	4.3
55.05501	47.8
57.03428	24.8
57.07074	3.9
59.04978	4.9
65.03915	7.9
67.05495	100.0
68.05807	3.3
69.03411	12.6
69.07059	96.0
69.61913	23.7
71.04971	11.3
73.21980	2.7
79.05481	77.9
81.03392	24.2
81.07041	93.1
82.07388	4.8
83.01331	13.1
83.04954	26.3
83.08607	31.6
85.02879	8.6
85.06530	6.7
91.05465	70.9
93.06457	5.8
93.07027	89.1
95.04957	25.8
95.08591	58.7
97.02879	9.2
97.06510	24.2
97.10159	17.5
99.04423	4.5
105.04486	5.2
105.07015	57.1
107.04957	19.0
107.08572	38.3
109.06507	12.6
109.10138	38.2
111.04427	4.9
111.08060	10.5
113.05931	3.2
115.05405	4.4
116.04670	5.2
116.20896	2.5
117.06985	23.4
119.07772	5.0
119.08560	51.8
120.08904	3.0
121.06493	14.5
121.10125	24.1
123.08026	21.1
123.11706	3.5
125.05917	4.0
125.09616	12.4
128.06181	4.3
129.05443	11.7
129.06984	10.5
131.08542	22.5
133.06526	5.0
133.10115	33.5
135.08020	8.4
135.11659	24.6
137.09627	19.8
143.08551	10.4
145.10097	33.2
147.08017	5.7
147.11652	15.1
149.09595	28.3
149.13194	4.9
150.09850	2.7
151.11165	3.3
153.12744	2.7
155.08530	6.8
157.10098	7.4
159.11705	15.4
161.09676	3.6
161.13242	9.2
163.11154	46.8
165.12560	2.7
167.47693	2.9
171.10233	4.9
171.11636	4.3
173.09590	7.7
173.11734	6.1
173.13171	6.6
175.11162	4.6
176.95300	2.6
177.12718	5.3
179.14311	6.3
181.12202	7.5
183.11855	3.3
185.13269	3.1
189.11203	8.2
191.10620	4.6
193.12238	5.2
209.11792	13.0
212.91837	2.8
223.13274	10.7
227.12769	20.0
229.14287	3.8
239.17915	3.5
257.18948	10.6
262.46991	2.6
267.15857	5.5
273.18454	6.0
275.20010	38.5
283.15356	91.7
291.19507	42.6
293.20969	4.1
301.16379	21.8
331.22458	3.6
349.23679	52.2
365.23233	19.8
379.21124	14.9
383.24298	4.5
386.98416	3.5
398.91827	2.7
437.25409	15.1
461.29050	20.7
472.68222	3.1
528.37781	6.2
557.34619	46.1
591.35046	15.6
608.43311	3.3
626.45197	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	626.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.2
55.01858	13.1
55.05506	24.3
57.03431	17.5
57.07053	2.0
59.04975	2.6
60.61423	1.7
67.05164	3.2
67.05498	40.2
67.05859	2.1
69.03419	8.5
69.07059	14.6
71.01334	1.9
71.04966	6.8
71.62491	2.5
79.05051	3.0
79.05479	38.0
80.05785	2.6
81.03408	61.9
81.07048	44.8
83.01319	7.9
83.04965	28.4
83.08614	31.9
83.76418	1.7
85.02893	22.1
85.06526	2.4
91.05469	38.5
93.07031	39.6
94.07341	2.2
95.04958	25.9
95.08041	2.0
95.08595	18.2
97.02853	4.6
97.06516	9.2
97.10152	12.4
99.04449	3.9
99.08065	4.5
105.07018	28.1
107.04952	13.7
107.08579	23.5
109.06496	9.9
109.10140	8.9
111.04438	11.6
111.08082	12.4
113.06034	3.4
115.05411	2.8
115.85493	1.8
117.06995	10.8
119.08558	27.1
121.06461	5.4
121.10122	20.2
123.08035	12.5
123.11688	3.1
125.09612	6.8
129.06985	11.5
131.08566	16.7
133.06491	3.5
133.10117	16.6
135.08015	5.7
135.11696	12.3
135.12540	2.0
137.05972	2.3
137.09619	8.7
142.90904	1.7
143.08481	2.1
145.06487	3.5
145.10098	18.0
147.08035	6.8
147.11662	16.3
149.09608	6.9
149.13222	2.4
151.11070	2.2
153.09137	2.7
153.12714	5.5
155.08519	2.2
157.10159	12.5
159.08023	6.7
161.09566	2.5
163.11166	29.4
165.12683	4.0
165.84186	1.9
173.09589	5.3
175.11179	12.6
181.12207	6.8
184.07359	2.3
189.11131	3.7
191.10629	5.2
193.12219	39.1
193.13861	3.4
209.11749	12.9
211.13264	59.7
227.12766	23.4
229.14360	2.8
253.67683	1.8
267.15897	20.4
268.16251	2.0
271.17026	4.9
283.15369	34.3
285.16931	77.1
286.17319	2.4
289.17914	17.1
307.19040	7.6
315.56039	2.0
326.80310	1.9
363.21655	4.5
379.88666	2.0
381.22629	33.3
383.22076	3.2
407.38553	1.9
457.25742	4.8
464.30719	2.0
465.27908	2.6
475.26898	21.9
476.26849	2.3
493.27853	100.0
494.28354	5.7
555.32349	2.2
573.34137	11.7
591.35156	23.7
608.34058	3.0
626.32043	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	625.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.2
53.43235	1.3
55.01612	2.1
55.01862	18.9
55.05502	21.4
57.03437	6.5
57.07048	4.7
58.82152	1.1
65.03927	2.0
67.05495	51.3
68.05802	1.6
69.03416	3.2
69.07057	54.9
69.33125	12.4
70.07390	1.2
71.04975	4.5
71.08611	2.1
77.60223	1.3
79.05482	40.0
80.05851	2.3
81.03389	7.1
81.07044	55.8
82.07384	2.6
83.04968	8.0
83.08603	14.8
85.06528	3.1
91.05467	49.5
92.05799	2.3
93.07033	43.1
95.01324	2.4
95.04962	9.6
95.08592	37.0
97.06522	23.8
97.10156	5.4
99.08080	3.4
103.05444	1.8
105.07011	48.9
107.04935	8.6
107.08570	27.7
109.06516	6.9
109.10136	16.2
111.04331	1.7
111.08068	5.6
115.05444	2.6
117.07002	22.3
119.08562	37.2
120.08887	2.1
121.06526	2.9
121.10107	15.7
123.08064	5.8
123.11691	3.6
125.07515	1.4
125.09602	4.9
128.06186	3.1
129.06990	13.0
131.08540	31.9
133.06471	2.0
133.10103	28.7
135.08060	4.8
135.11655	10.3
137.09592	2.3
139.11118	1.5
141.06981	6.8
142.02907	1.5
142.07762	4.5
143.08536	21.6
144.09233	1.5
145.03500	1.3
145.06477	3.3
145.10106	26.8
147.08051	2.1
147.11658	20.1
149.09613	7.2
149.13232	6.7
151.11191	1.7
153.09081	1.3
155.08533	10.6
157.10101	19.6
159.08029	2.9
159.11664	22.4
161.09627	3.3
161.13249	12.3
163.11162	4.5
163.14787	1.7
167.08571	4.8
169.10080	14.4
171.08040	1.8
171.11633	17.2
173.09589	2.4
173.13235	15.0
175.11182	4.3
175.14827	6.0
177.12752	3.4
179.14343	4.7
181.10086	6.8
183.11664	11.3
185.09622	2.1
185.13246	12.2
187.11256	4.1
187.14813	7.5
189.12805	2.1
189.16385	1.9
191.14282	1.5
193.10178	3.7
195.11609	8.3
197.13214	9.3
199.14825	8.8
201.12779	2.5
201.16431	2.3
203.87978	1.5
205.15736	1.6
207.11734	3.5
208.81000	1.5
209.13226	7.9
211.14832	5.9
213.16344	3.9
215.18005	2.3
221.13174	3.4
223.14871	3.3
225.16377	3.9
227.17961	1.9
229.19626	1.9
233.13281	1.8
235.14824	3.5
237.16388	3.0
238.72443	1.4
239.17978	3.6
241.19475	9.1
251.17906	1.9
255.61935	1.5
257.19119	7.1
259.20551	14.2
267.15741	1.8
273.18497	3.7
275.20013	25.6
276.20416	1.8
277.21732	1.9
285.22235	1.9
291.19641	1.5
293.20993	2.8
297.21924	2.6
305.29718	1.4
315.23123	3.6
325.21524	1.7
331.22830	2.9
333.24319	12.4
337.25394	1.8
339.23169	1.9
349.23691	20.8
353.24692	2.0
365.28598	1.9
407.29504	1.8
419.33420	2.8
435.32571	5.1
437.34100	10.2
453.33588	3.2
463.31363	1.7
493.37323	1.7
501.35724	1.6
505.40549	1.7
509.36087	2.6
511.37878	11.7
513.35663	10.1
515.38678	5.5
527.37225	11.0
529.38861	5.2
533.39960	9.7
537.35876	2.2
551.40778	6.2
555.36755	3.9
556.37366	2.7
562.37891	1.5
589.42908	2.7
597.45056	3.2
607.43500	57.5
608.43378	2.9
625.27557	2.8
625.44464	100.0
626.45026	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	625.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.4
53.03939	3.7
55.01865	10.8
55.05502	27.3
57.03428	5.5
57.07064	3.5
65.03909	2.9
67.05495	54.7
67.80062	1.3
69.03418	3.5
69.07054	32.7
69.07402	2.4
70.10134	5.6
71.04986	6.4
76.74548	1.2
79.05485	36.5
81.03403	6.2
81.07043	57.1
82.84325	1.2
83.04974	5.4
83.08600	14.6
85.02935	1.5
85.06551	2.6
86.09708	2.0
91.05460	36.2
91.05996	2.4
93.07027	38.4
95.04940	8.2
95.08593	40.0
97.06508	11.0
97.10149	8.0
99.04419	1.6
99.08075	4.3
102.89505	1.3
105.07014	37.7
106.07345	1.5
107.04955	4.8
107.08577	27.6
107.09279	2.1
108.08904	1.5
109.06506	5.9
109.10136	23.2
111.08080	4.1
113.09623	1.4
115.05482	3.2
117.06993	18.6
119.08561	30.8
121.06481	4.2
121.10122	18.4
123.08075	2.2
123.11703	8.1
125.09575	6.3
128.06236	2.5
129.06963	11.2
131.08543	26.3
133.06474	2.0
133.10097	21.9
135.08038	3.6
135.11664	10.7
137.09583	2.8
139.11217	2.0
140.84415	1.4
141.06952	6.5
143.08542	17.8
144.09326	2.2
144.30289	1.3
145.06529	1.6
145.10104	22.5
147.08080	2.0
147.11665	15.3
149.09605	6.0
149.13231	4.6
151.11142	2.6
155.08531	14.1
156.09396	2.1
157.10109	19.7
159.08006	1.8
159.11664	16.0
161.09639	3.3
161.13217	9.1
163.11203	3.8
163.14914	1.6
167.08530	7.4
168.09361	1.9
169.10123	14.3
170.10657	1.4
171.11670	19.4
173.09486	1.6
173.13211	10.1
175.11177	3.5
175.14845	4.1
177.12802	2.4
179.08606	3.0
181.10059	8.0
182.10861	1.6
183.11656	15.0
185.09683	1.7
185.13188	12.2
187.13327	2.3
187.14864	5.7
189.11195	2.7
189.12822	1.9
189.16307	1.9
193.10179	3.1
195.11705	9.7
197.13257	13.1
199.11163	2.6
199.14833	10.9
201.16394	3.4
203.14291	1.3
203.17873	1.6
207.11737	4.0
209.13269	7.7
211.14839	8.3
213.12877	1.7
213.14656	1.9
213.16434	4.2
219.11768	1.5
221.13307	3.9
223.14824	4.7
225.16394	4.0
227.12762	4.3
227.18008	3.2
229.14172	1.8
229.16129	1.8
229.19675	2.2
235.14827	3.5
237.16354	5.1
239.17967	4.6
241.19403	6.2
243.15846	2.4
247.20529	1.5
249.16423	2.1
251.17943	2.1
255.21286	1.4
257.19034	1.9
259.20645	5.3
265.19330	1.5
267.20975	2.0
273.18515	2.8
275.19980	7.9
297.22067	1.4
309.22263	1.7
311.23480	1.5
315.23361	2.7
333.24387	3.7
339.23340	1.6
349.23669	6.3
365.28369	4.2
367.25784	2.0
381.31995	1.7
397.31494	1.9
421.31165	3.5
439.32391	2.1
495.34299	1.6
513.35767	17.5
515.38733	5.5
527.37244	8.4
533.39929	10.0
551.40790	6.4
589.42743	3.0
597.44427	2.0
607.43475	40.1
608.43896	4.7
625.44550	100.0
626.44958	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.1
53.03937	2.6
55.01619	1.7
55.01864	25.9
55.05252	1.5
55.05501	19.8
55.66534	0.8
57.03430	7.0
57.07052	3.0
65.03925	2.1
67.05496	45.8
69.03421	1.6
69.07057	66.4
69.38377	4.3
69.38811	4.8
71.04971	3.4
71.08630	1.9
73.06536	1.2
79.05479	35.4
80.03991	0.9
81.03394	5.6
81.07043	51.9
83.04960	8.1
83.08598	9.8
85.06512	3.1
85.10166	1.0
91.05464	48.5
93.07030	34.7
95.01307	4.6
95.04964	8.4
95.08591	37.6
97.06515	34.2
97.10165	6.2
99.08098	2.4
103.05429	1.3
105.07014	53.3
107.04932	10.3
107.08578	21.9
109.06489	4.8
109.10150	13.0
109.77392	0.9
111.04436	0.9
111.08084	2.0
111.11822	1.2
115.05442	1.7
116.06234	1.4
117.06995	17.7
119.08560	42.9
121.06471	1.9
121.10118	11.9
123.04409	2.1
123.08044	4.6
123.11707	2.3
125.09604	6.5
128.06212	2.7
129.05493	1.4
129.06989	15.3
130.07751	2.1
131.08556	31.3
133.06461	2.0
133.10109	31.4
135.08061	3.4
135.11671	11.6
137.09631	2.2
139.11194	1.7
141.06969	6.3
141.11337	4.1
142.07779	2.0
143.08531	19.0
144.09341	1.5
145.06450	2.5
145.10100	26.7
147.08009	2.8
147.11661	20.6
149.09581	6.5
149.13203	5.9
151.11200	1.9
152.45927	0.9
153.06888	1.0
154.07776	1.1
155.08519	12.5
156.09325	2.6
157.10098	18.9
159.08049	1.7
159.11679	22.9
160.12158	1.3
161.09543	1.5
161.13223	15.1
163.11137	4.6
163.14845	2.2
165.06990	1.5
167.08586	3.9
169.10123	13.8
171.07991	1.9
171.10217	2.3
171.11639	19.8
173.09605	1.5
173.13245	13.0
175.11227	2.0
175.14827	7.3
177.12787	3.6
179.08548	3.2
179.14372	5.1
181.10094	7.9
182.10989	1.5
183.11664	12.3
185.13217	15.4
187.11197	3.3
187.14821	8.0
189.12759	2.5
189.16336	1.7
191.14264	1.9
193.10092	2.3
194.10867	1.3
195.11676	10.3
197.13280	9.1
199.11063	1.2
199.14819	6.5
201.12758	1.4
201.16399	3.1
203.14299	2.0
207.11745	3.0
209.13263	6.7
211.14786	5.8
213.12801	2.1
213.16313	4.9
215.14328	2.0
215.17880	2.0
217.19528	1.9
221.13254	3.2
223.14778	5.4
225.16389	2.9
227.14503	1.3
227.18025	1.8
229.19511	1.6
231.17438	1.5
231.21040	2.1
235.14847	2.8
237.16354	3.1
239.18010	3.3
241.19476	16.1
245.19055	1.5
249.16367	1.4
251.17947	1.8
257.18958	7.9
259.20547	18.9
263.17877	1.6
265.19482	2.4
273.18423	2.4
275.20026	35.2
277.21780	1.9
279.21048	1.1
283.20673	1.8
285.22189	1.5
291.19565	2.4
293.20926	2.7
297.22083	2.0
311.23477	1.8
313.21634	2.5
315.23141	4.7
321.21664	1.2
323.23557	1.3
325.25256	1.4
331.22598	1.6
333.24234	19.2
335.23450	1.4
339.23126	1.6
339.26797	1.6
341.24811	1.5
349.23660	27.4
353.24500	1.5
355.26108	1.3
361.25253	1.4
367.25763	1.7
381.27942	1.2
393.27682	1.2
395.29562	1.1
407.29562	1.2
417.31497	1.9
419.33011	3.9
421.31183	1.6
435.32693	4.8
437.34149	13.7
445.31253	1.8
455.35376	1.4
475.35898	1.6
483.34769	1.1
493.36478	2.2
495.34702	1.9
501.35645	2.0
509.36203	4.4
511.37836	13.8
513.35693	7.3
515.38928	5.4
527.36975	5.8
529.38690	8.1
533.40161	9.4
551.41095	6.4
555.36816	3.5
556.37811	3.1
589.42865	2.0
597.44788	2.4
607.43445	67.1
608.44043	3.3
625.44525	100.0
626.44421	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.3
53.03941	0.9
53.33471	0.3
55.01851	0.9
55.05497	1.6
55.07107	0.3
55.60487	0.3
57.03419	0.5
60.04521	0.3
65.03933	0.8
67.05494	3.4
69.03424	2.8
69.06763	0.4
69.07066	3.8
70.25746	1.3
71.04989	1.7
73.02898	0.3
75.80804	0.3
77.03925	0.3
78.72336	0.3
79.05482	4.6
81.03408	4.4
81.07044	9.3
83.04969	3.3
83.08601	1.2
85.02897	2.8
85.06541	1.5
91.05471	4.5
93.07031	10.7
94.67109	0.3
95.04962	3.3
95.08598	5.8
96.65002	0.3
97.02876	2.7
97.06519	4.7
97.10139	0.5
99.04448	3.8
99.08052	0.4
101.06026	0.5
101.07101	0.5
103.05442	0.6
103.06087	0.3
105.03360	0.5
105.07014	7.4
107.04926	2.1
107.08585	6.7
109.02865	4.5
109.06502	4.8
109.10138	3.3
111.04408	0.7
111.08061	3.7
113.06004	0.9
115.05434	0.5
115.07519	0.5
117.07012	0.8
119.04932	0.7
119.08568	4.5
120.05723	0.5
121.02878	0.4
121.06499	10.6
121.10112	2.8
122.03648	0.6
123.04408	1.0
123.08036	1.8
123.11706	2.0
125.05977	2.4
125.09618	0.6
127.03905	5.0
127.07547	2.2
129.06963	1.0
131.04889	0.6
131.08539	1.8
133.02837	13.2
133.06474	1.1
133.10109	4.1
135.04391	0.8
135.08040	3.5
135.11662	0.8
137.05960	5.2
137.09595	0.9
137.13249	0.4
139.07521	3.5
141.05441	0.8
142.07773	0.5
143.07002	1.7
143.08527	1.3
145.04932	0.6
145.06464	1.2
145.10092	2.8
147.04390	1.3
147.08031	1.3
147.11662	12.0
149.05936	1.7
149.09610	0.5
149.13235	1.2
150.02986	0.4
151.03889	0.6
151.07539	1.2
151.11142	0.5
153.01811	1.2
153.09032	0.6
156.09309	0.6
157.06525	0.4
157.08600	2.0
157.10100	3.2
158.07158	0.3
159.08054	0.4
160.05153	0.4
160.08690	0.3
161.05980	0.9
161.09523	0.6
161.13232	2.2
163.03883	0.3
163.07498	0.8
163.11172	0.7
163.14772	0.4
165.05447	2.6
165.12723	5.7
166.07718	0.6
167.06989	2.2
169.12236	1.3
171.11662	2.6
173.09593	1.1
173.13298	0.4
173.35941	0.3
175.07564	0.7
175.11168	6.6
175.14847	0.6
175.36800	0.3
177.05440	0.6
177.09074	0.4
177.12756	0.4
178.00964	0.4
178.02580	6.9
178.04160	0.4
179.07050	0.5
179.14473	0.4
181.04926	3.7
181.10068	0.9
183.13744	0.5
187.05977	1.4
187.11249	0.5
189.12703	4.3
191.07036	0.4
191.10699	0.6
191.14178	0.4
193.04941	100.0
193.12201	6.5
193.15874	0.5
194.05276	2.2
199.11168	4.4
201.05531	0.4
203.07204	0.3
205.06966	0.8
205.08681	0.3
205.12187	0.6
207.06544	0.5
207.13765	3.7
209.08156	0.5
209.15327	1.0
211.13268	4.6
215.10588	0.5
217.12204	14.9
218.12553	0.7
220.07216	0.4
229.14221	2.0
233.11615	0.6
235.13264	20.2
236.13635	1.0
251.12730	0.6
253.14319	18.5
271.15338	1.7
295.15439	0.4
309.17181	0.3
319.15134	0.5
333.87949	0.3
343.15204	0.7
361.16229	1.7
379.17456	2.0
385.12671	0.7
397.18430	2.4
398.14008	0.3
399.13959	0.3
416.14523	2.6
625.20905	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.154
Annotation	Isorhamnetin 3- (6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
53.03925	0.3
57.03421	0.2
65.03926	0.8
67.05474	0.2
68.99802	0.1
69.03423	1.1
69.07052	0.1
69.96896	0.4
70.61672	0.1
71.04990	0.2
73.02917	0.1
79.05484	0.2
81.03408	3.1
81.07040	0.3
83.05006	0.1
83.08585	0.1
85.02888	0.8
89.03837	0.1
91.05467	8.0
92.02588	0.2
93.03402	0.2
95.04944	0.2
95.08594	0.3
96.04491	0.1
97.02873	0.4
97.06511	0.1
98.20852	0.1
99.04430	0.3
105.07020	0.2
107.04955	0.2
107.08564	0.1
109.02851	1.2
109.06486	0.1
109.10127	0.1
111.04469	0.1
119.04925	21.4
120.05290	0.1
121.02827	0.2
121.06493	0.1
123.11724	0.1
127.03899	0.6
137.05966	0.2
139.03842	0.2
145.04961	0.1
147.04387	100.0
148.04720	0.8
151.03964	0.2
151.07570	0.1
153.01791	1.4
165.05453	3.4
165.06868	0.2
167.07001	0.3
173.06012	0.1
173.09549	0.1
175.07481	0.1
177.05431	0.3
181.04915	0.2
201.05573	0.1
217.04990	0.1
218.05595	0.1
228.04120	0.2
229.04886	0.5
242.53383	0.1
245.04442	0.2
246.05222	0.3
249.07266	0.1
257.04382	0.7
271.05820	0.1
273.03888	0.3
274.04602	0.8
285.03925	0.7
291.05228	0.1
291.08585	5.2
302.04172	2.5
309.09631	2.4
317.06519	17.2
318.06805	0.2
359.07886	0.2
416.14536	0.3
588.37476	0.1
607.54852	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1541
Annotation	Isorhamnetin 3- (6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
55.05499	0.3
57.03424	0.3
60.04522	0.2
61.02900	0.2
65.03927	0.8
67.05469	0.5
67.47027	0.2
69.03419	6.8
69.07057	0.6
69.49715	1.3
69.50120	0.3
71.04984	0.3
72.25269	0.2
79.05466	0.4
81.03403	0.7
81.07037	1.3
83.04976	0.3
83.08584	0.2
85.02865	0.6
85.06509	0.4
91.05468	7.6
93.07047	0.8
95.04942	0.6
95.08609	0.9
97.02863	1.1
97.06522	0.3
98.20734	0.3
99.04417	0.4
99.08093	0.2
105.06358	0.2
105.07007	0.8
107.04945	0.6
107.08562	0.7
109.02850	0.8
109.06507	0.3
109.10128	0.8
115.05489	0.2
117.03399	0.2
119.04928	20.5
119.08576	0.6
121.02861	0.4
121.06487	0.4
121.10107	0.6
121.65196	0.2
123.04423	0.2
123.08067	0.3
123.11671	0.3
125.05922	0.2
125.09608	0.3
127.03887	3.5
133.06462	0.5
133.10126	0.4
135.11671	0.2
137.05927	0.2
137.13237	0.2
140.10669	0.4
145.02806	0.5
145.06456	0.3
145.10153	0.2
147.04387	100.0
148.04701	1.1
149.05974	0.2
149.13280	0.2
151.03937	0.2
151.07494	0.4
153.01799	1.8
155.06955	0.2
157.06482	0.2
159.11688	0.2
163.11069	0.3
165.05432	1.4
165.09134	0.2
167.07037	0.5
177.05411	0.9
179.06912	0.2
181.04990	0.4
191.07187	0.2
193.04993	0.5
201.05435	0.2
209.08153	0.3
229.04979	0.6
231.06581	0.3
241.63721	0.2
245.04306	0.2
246.05185	0.3
253.14122	0.2
257.04434	0.6
273.03922	0.4
274.04724	1.0
275.22333	0.2
285.03900	0.8
291.08582	5.4
302.04196	2.2
309.09659	5.2
317.06512	17.5
318.06851	0.5
411.70795	0.2
411.92197	0.2
416.14835	0.3
552.42438	0.3
570.43671	0.3
625.32819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01855	5.2
55.05503	23.0
55.15921	1.2
56.99632	1.3
57.03219	1.0
57.03433	10.5
61.02908	2.1
65.03919	2.9
67.05494	43.1
69.03419	17.8
69.07052	14.7
69.60740	5.1
69.61162	4.1
71.01342	1.8
71.04990	7.4
73.02927	2.1
77.37666	1.2
79.05479	35.9
81.03403	80.5
81.07044	57.7
82.07369	1.5
83.04968	19.4
83.08603	19.0
85.02888	18.8
85.06517	3.4
89.00845	1.2
91.03926	1.6
91.05463	37.5
93.07027	36.0
95.04956	24.6
95.08587	18.1
97.02877	14.3
97.06530	7.7
97.10164	6.1
98.21529	2.4
99.04432	4.5
99.08069	2.1
104.57802	1.3
105.07010	27.0
107.04923	11.9
107.08576	22.8
109.02862	14.5
109.06518	6.9
109.10128	7.0
111.04436	11.2
111.08065	9.8
115.05450	2.9
117.07013	11.2
119.04958	1.3
119.08563	18.8
121.06510	7.8
121.10129	13.2
123.04406	3.1
123.08028	3.8
123.11691	5.3
125.06013	1.6
125.09604	4.0
127.03892	9.3
129.05475	1.5
129.06993	9.5
131.04868	1.9
131.08559	15.0
133.06476	4.6
133.10086	12.7
135.04393	1.2
135.08017	3.6
135.11679	5.7
137.09712	1.3
141.07065	1.7
143.08563	4.7
145.06451	4.5
145.10077	4.5
147.04445	1.9
147.08025	3.6
147.11668	16.4
149.09605	4.3
149.13251	9.3
153.12689	2.0
155.08548	3.3
157.06491	2.1
157.10112	9.3
159.11630	7.4
161.09612	1.4
163.07675	1.5
163.11186	3.7
165.12711	6.6
169.10159	1.7
171.07985	1.9
171.11603	1.5
173.04434	2.3
173.09598	2.2
175.11162	8.4
177.12759	5.6
181.12183	1.9
187.11128	1.6
189.11156	1.7
189.12695	1.3
191.10667	1.9
193.12206	27.2
193.13844	2.2
195.13715	8.0
201.12619	1.6
209.11598	1.5
211.13245	36.7
212.13445	1.6
213.14833	3.9
215.14345	1.3
227.12787	4.1
235.13339	1.5
249.14742	1.7
251.16449	1.3
257.15512	1.6
261.14444	1.5
267.15869	12.3
269.17453	13.3
273.14877	4.6
277.14246	1.5
283.15646	1.8
285.17029	5.0
301.14297	3.2
303.15958	2.4
309.16986	1.7
319.15399	1.8
321.16885	1.7
337.16312	2.4
339.18027	8.0
343.22864	1.6
351.23083	1.8
355.17557	3.3
369.24353	4.5
377.19519	2.5
387.25375	3.4
393.18839	2.0
395.20667	7.6
411.20123	4.2
413.21487	1.4
417.25894	1.4
435.27521	3.3
443.27786	9.0
461.22394	2.4
461.28925	38.9
479.29950	14.5
480.29953	1.4
503.29852	4.7
527.29327	2.0
545.30731	2.3
569.30878	3.4
587.32086	6.1
605.33136	13.3
623.34106	100.0
624.34216	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	623.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.2
53.43945	0.8
53.66124	0.8
55.01855	8.1
55.05256	1.6
55.05502	20.4
57.03431	10.2
57.07066	1.6
61.02903	1.8
65.03928	3.8
67.05496	50.5
69.03065	1.5
69.03415	16.6
69.07061	14.5
71.01325	1.1
71.04980	7.8
73.02897	1.4
79.05480	36.4
81.03406	79.7
81.07043	61.5
83.04971	18.8
83.08609	21.1
85.02893	14.0
85.06519	4.0
91.04883	1.5
91.05466	33.9
93.07030	38.4
93.07622	1.9
95.04351	1.7
95.04951	20.0
95.08596	16.3
97.02876	14.8
97.06528	7.8
97.10168	3.9
99.04447	3.9
99.08087	3.0
103.05496	1.0
105.07018	21.1
107.04929	7.2
107.08579	24.9
109.02868	15.5
109.06503	5.2
109.10133	5.8
111.04428	12.1
111.08066	11.5
113.05970	1.4
115.05419	2.4
117.07022	8.2
119.08571	16.0
121.06489	3.7
121.10127	16.7
123.04423	1.9
123.08070	2.5
123.11718	2.1
125.05996	1.2
125.09630	1.9
127.03888	8.8
128.06213	1.6
129.05437	2.1
129.06973	7.9
131.04898	1.8
131.08539	13.2
133.06465	3.1
133.10114	8.4
135.04355	0.9
135.08070	2.2
135.11636	5.7
137.09628	1.3
139.11133	1.0
141.06958	1.3
142.07777	1.9
143.08549	2.9
145.06473	2.8
145.10097	4.4
147.08051	2.7
147.11673	12.5
149.09627	4.6
149.13220	13.8
151.11220	1.0
153.12746	2.9
155.08566	2.4
157.06458	1.2
157.10106	7.1
159.11661	7.1
161.09518	1.0
162.26004	0.9
163.11134	4.7
165.12764	4.1
169.10185	1.7
171.11664	1.7
173.04512	1.3
173.09584	1.9
175.11163	9.7
177.12756	3.3
179.08707	1.0
181.12189	5.4
183.06505	2.0
189.11218	1.0
191.10684	3.7
193.12224	27.8
195.13725	7.9
209.11633	1.4
211.13249	43.4
212.13661	1.2
213.12703	1.0
213.14845	2.5
227.12688	6.0
229.14310	1.4
235.13289	1.2
235.16998	0.9
249.14960	1.2
251.16438	0.9
257.15485	1.1
261.76379	1.0
265.14273	1.2
267.15891	8.9
269.17450	11.2
273.14792	1.7
283.15613	1.6
285.16992	4.1
297.16953	1.0
301.14383	1.5
303.15759	1.6
311.86090	0.9
321.16907	1.7
337.16455	2.9
339.17963	3.6
351.23151	1.4
355.17407	8.6
369.24341	2.3
375.18121	1.1
377.19394	1.9
387.25284	1.4
393.18848	1.5
395.20657	2.9
411.19861	4.4
433.29669	1.2
435.27640	1.8
443.27637	5.4
461.28934	20.5
479.29953	15.0
503.30328	1.5
545.30902	1.7
587.32031	3.2
605.33374	7.1
623.34155	100.0
624.34656	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01862	3.5
55.05505	12.5
57.03432	6.5
59.04979	1.2
61.02918	17.0
65.03911	1.4
67.05494	32.6
69.03414	7.5
69.07059	11.1
70.21977	2.0
71.04973	3.4
73.02927	5.7
79.05056	1.5
79.05479	21.9
81.03408	16.3
81.06572	1.7
81.07046	33.1
83.04969	5.0
83.08611	12.5
85.02894	17.6
85.06532	2.1
91.03944	9.3
91.05467	30.7
93.07030	26.6
95.04948	8.1
95.08591	17.9
97.02879	11.4
97.06530	6.1
97.10137	4.4
99.04425	2.1
99.08072	1.3
99.21324	1.0
101.05981	1.4
103.05443	2.1
105.07018	25.8
107.04948	4.7
107.08569	13.3
109.02850	3.9
109.06498	4.1
109.10144	7.5
111.04406	2.3
111.08048	4.2
113.06022	1.0
115.05441	3.2
117.07003	18.6
119.08559	13.3
121.06503	4.7
121.10105	7.9
123.08041	3.7
123.11716	1.2
124.18494	1.0
125.09588	2.7
127.03886	4.1
127.91746	1.0
128.06180	4.2
129.06985	24.5
131.04898	1.6
131.08546	26.7
133.06490	5.5
133.10100	9.0
135.08017	3.3
135.11673	4.4
137.09599	1.8
141.06963	10.8
143.08534	17.9
145.04977	1.0
145.06433	6.2
145.10083	11.0
147.07994	4.5
147.11658	5.7
149.09596	3.7
149.13216	3.3
151.11206	1.5
153.06960	1.5
154.07729	1.6
155.08536	13.3
157.06424	2.0
157.10129	10.9
159.08037	3.6
159.11636	8.5
161.09653	2.3
161.13220	1.3
163.11186	2.0
165.07013	1.7
165.12659	1.2
166.07762	1.2
167.08542	6.5
168.09207	1.2
169.10109	11.2
171.08003	1.8
171.11615	6.5
173.09576	2.2
173.13191	2.3
175.11163	5.2
175.14833	1.6
177.12711	3.0
179.08524	3.7
181.10075	7.5
183.08061	1.0
183.11693	6.8
183.43509	1.1
185.09621	2.4
185.13174	5.7
187.11147	2.9
187.14789	1.5
189.12759	1.6
193.10092	3.5
193.12190	5.9
195.11671	7.4
195.13536	1.9
197.09639	1.7
197.13242	5.4
199.11165	1.9
199.14827	2.2
201.12758	2.1
203.14293	2.2
207.11638	3.4
209.13202	3.9
211.11258	1.8
211.13232	7.7
211.14896	2.6
213.12709	3.3
213.16528	1.2
215.14340	5.2
221.13318	5.8
221.15063	1.1
223.14781	5.9
225.12752	1.8
225.16399	2.4
227.14389	1.7
229.14139	1.6
231.13712	1.2
233.13139	1.8
233.15286	1.2
235.14850	2.2
237.12602	1.5
237.16342	1.8
239.14240	2.7
241.15846	1.9
245.15497	1.1
253.15865	1.7
257.15363	3.1
259.16867	2.6
267.15738	1.8
269.15152	1.1
269.17648	1.9
271.16843	4.1
275.16394	1.2
285.18591	1.5
312.60013	1.0
315.20981	2.1
323.23489	3.5
333.22092	10.2
341.24753	7.0
351.23093	32.4
352.23532	1.5
355.17435	1.3
369.24182	25.4
377.23834	1.0
387.25198	15.1
388.25385	1.3
407.25726	1.3
425.26773	8.6
433.29507	1.7
443.27863	100.0
444.28281	6.5
461.28903	70.8
462.29120	4.3
479.29858	3.1
503.29630	1.4
556.22198	1.0
569.31604	1.6
587.32257	2.1
605.33038	4.1
623.34137	22.5
624.34088	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02334	1.3
52.83464	1.0
53.03946	8.1
54.09190	0.9
55.01857	6.5
55.05254	1.5
55.05503	21.3
57.03429	9.3
57.07063	1.8
61.02901	1.4
65.03922	2.9
67.05492	45.3
69.03415	17.8
69.07052	15.3
69.51801	10.3
71.01366	1.9
71.04981	6.6
73.02905	2.5
79.05479	36.2
81.03407	86.7
81.07043	61.7
82.03719	2.1
83.04968	17.5
83.08607	18.9
85.02889	16.6
85.06522	3.8
91.03990	1.7
91.05466	38.5
92.05808	1.2
93.07028	37.9
95.04951	23.2
95.08601	19.1
97.02876	13.4
97.06496	7.7
97.10136	5.3
99.04428	5.5
99.08078	2.2
103.03945	1.3
103.05448	1.3
105.07013	23.3
105.07671	2.0
107.04940	7.9
107.08573	21.5
109.02854	16.0
109.06538	6.2
109.10127	4.9
111.04436	11.2
111.08076	8.8
113.05997	2.8
115.05408	2.0
117.06996	10.1
119.04917	1.7
119.08562	21.0
121.06504	5.7
121.10115	14.3
123.04408	1.6
123.08046	3.1
123.11693	7.5
125.09617	4.2
127.03906	7.9
128.06212	1.4
129.05443	2.9
129.06996	9.8
131.04883	1.6
131.08549	16.1
133.06465	4.3
133.10085	12.7
135.07973	2.8
135.11671	4.6
137.05957	1.9
137.09627	1.7
137.52147	1.1
141.06981	2.2
142.07753	2.0
143.08545	3.6
145.06479	3.4
145.10114	4.9
147.08041	4.5
147.11650	19.6
148.12148	1.1
149.09612	4.6
149.13217	7.7
151.11162	2.7
151.40950	1.1
153.09140	1.1
154.11943	1.2
155.08551	3.1
157.06517	1.3
157.10094	10.9
159.08029	2.3
159.11627	8.2
161.09653	1.3
163.11185	3.6
165.12721	7.0
167.07028	1.0
167.08510	1.8
169.10129	1.8
171.11658	2.4
173.04497	3.3
173.09624	1.8
173.13271	1.4
175.11176	8.7
177.12746	4.8
181.10086	1.8
181.12308	1.8
183.06636	1.3
183.11662	1.7
184.12128	1.3
189.11211	2.7
191.10686	2.8
193.12219	27.2
195.12268	1.3
195.13776	7.0
197.13245	1.3
201.12572	1.9
211.13254	37.6
213.14796	2.7
227.12759	4.9
229.14351	3.6
231.13763	1.8
233.15454	2.0
235.13298	2.0
249.14944	1.5
257.15271	1.2
267.15851	20.2
269.17459	11.8
273.14923	2.0
275.16345	2.7
277.14328	1.7
285.17038	6.1
301.14264	2.2
303.15726	1.8
319.15396	1.8
321.16992	3.8
337.16437	3.1
339.18179	7.5
343.22787	1.3
355.17542	4.4
369.24274	3.1
375.18246	1.6
377.19821	2.7
383.57864	1.5
387.25388	2.2
393.19107	2.2
395.20706	7.9
411.20193	3.9
413.22073	1.5
433.29779	1.2
435.27185	1.9
436.01166	1.2
443.28122	7.6
461.28961	20.4
467.75836	1.2
477.27899	1.3
479.29965	16.5
495.28870	1.4
503.29828	1.7
545.31201	2.7
551.30103	1.4
560.67780	1.2
569.30585	2.4
575.31836	1.6
587.32056	4.6
605.33081	14.8
623.34131	100.0
624.34619	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	623.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03940	7.1
55.01889	4.6
55.02116	0.9
55.05503	20.8
57.03428	11.7
57.07072	1.2
61.02907	2.2
61.80763	0.8
65.03920	2.7
67.05495	48.6
68.85276	0.9
69.03421	17.2
69.07061	13.1
70.13789	3.2
70.14207	1.5
71.01324	2.7
71.04993	9.6
73.02885	1.5
79.05482	36.7
81.03408	91.3
81.07044	63.6
83.04967	18.9
83.08605	23.9
85.02891	18.6
85.06544	4.3
91.03933	1.1
91.04884	1.3
91.05467	38.0
93.07030	38.1
95.04955	25.2
95.08592	16.3
97.02884	15.7
97.06516	9.5
97.10136	6.9
99.04439	5.9
99.08096	2.7
103.05447	2.0
105.07019	29.2
107.04931	9.4
107.08582	19.3
109.02871	17.3
109.06504	5.7
109.10129	6.8
111.04430	12.9
111.08064	8.8
113.06033	1.9
115.05446	1.7
117.07012	12.2
119.04910	1.7
119.08562	19.7
121.06483	5.4
121.10130	15.6
123.04397	2.5
123.08062	4.5
123.11703	4.3
125.09595	4.5
127.03896	8.7
127.07532	1.0
129.05527	2.3
129.06989	11.4
131.04927	2.6
131.08551	16.1
133.06476	4.2
133.10106	14.9
133.97438	0.9
135.04434	1.6
135.08049	3.0
135.11702	5.7
137.09625	2.2
141.06984	2.3
142.07751	2.7
143.08571	4.6
145.06477	3.9
145.10098	5.5
147.04417	1.5
147.08055	4.0
147.11671	15.3
149.05934	1.7
149.09633	5.3
149.13225	10.9
151.11182	1.4
153.09087	1.4
153.12767	2.4
155.08592	2.8
157.10094	11.0
159.08073	1.9
159.11647	9.4
161.13255	1.5
163.11188	4.2
165.12729	5.5
169.10051	2.1
171.08000	1.4
171.11678	2.9
173.04448	4.1
173.05846	1.3
173.09677	1.4
173.13327	1.1
175.11165	9.3
177.12756	4.3
181.10077	1.2
181.12244	3.7
183.11674	2.1
185.09633	1.0
187.11263	1.2
189.11223	2.1
189.12752	1.2
191.10669	2.3
193.12210	26.6
195.13777	8.4
199.14787	1.5
201.12749	2.0
207.11861	0.9
207.13800	1.5
209.11676	1.1
209.13458	1.6
211.13248	42.7
211.15233	2.1
213.14900	3.3
215.14175	1.1
219.13771	1.0
221.13332	1.1
227.12721	6.5
229.14233	1.4
231.13782	1.7
235.13319	1.4
239.14357	1.3
249.14929	1.5
255.13925	1.1
257.15472	1.4
259.16992	1.0
261.14819	2.4
267.15872	17.0
269.17419	10.9
273.14951	2.0
275.16483	2.8
277.14423	2.3
283.15598	1.4
285.17032	8.8
290.81540	1.0
293.17538	1.4
297.16992	1.2
301.14182	2.4
303.15994	3.4
307.45798	0.9
309.16846	1.3
313.16629	1.5
317.64545	1.1
319.15488	1.5
321.17041	2.0
335.18475	1.3
337.16354	2.5
339.18115	7.3
341.24783	1.3
351.23145	2.4
355.17471	5.0
369.24350	3.4
377.19568	2.3
387.25217	2.0
393.18997	2.2
395.20596	8.7
405.26459	1.5
411.20062	5.4
413.21738	4.1
414.28574	1.0
417.26068	1.2
433.29611	1.8
435.27545	1.5
443.27945	7.4
461.28952	29.1
479.29941	15.1
503.30048	4.2
527.30182	1.3
545.30890	2.1
569.30890	4.5
575.32068	1.1
587.31866	4.8
605.33203	13.9
623.34161	100.0
624.34259	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
55.01864	6.3
55.05501	20.0
56.51139	0.8
57.03427	9.5
57.07064	1.6
61.02922	1.0
65.03927	2.9
67.05493	48.0
69.03419	13.6
69.07059	14.8
71.04977	8.1
73.02904	1.9
74.57391	0.7
79.05482	34.6
81.03405	78.1
81.07045	55.4
83.04971	17.4
83.08604	18.6
85.02888	12.8
85.06525	3.7
91.05466	30.5
93.07030	40.1
94.07387	0.8
95.04952	21.6
95.08599	16.5
97.02875	14.8
97.06503	8.2
97.10136	4.9
99.04442	4.6
99.08060	2.6
105.04486	1.2
105.07014	19.4
107.04943	7.8
107.08578	24.8
107.09285	1.6
109.02862	16.4
109.06496	5.3
109.10114	7.4
111.04430	12.3
111.08057	9.4
111.53767	0.9
115.05447	1.3
117.07013	7.7
119.08560	12.7
121.06496	4.0
121.10123	16.0
123.04418	1.3
123.08066	2.9
123.11691	3.8
125.09616	5.1
127.03904	9.6
129.06981	7.0
131.04855	1.2
131.08548	13.0
133.06473	2.5
133.10114	11.8
135.08044	1.9
135.11667	6.4
137.05957	1.4
137.09648	1.3
141.06908	1.0
142.07767	1.6
143.08557	2.8
145.06473	2.2
145.10126	3.8
147.04395	1.3
147.08025	3.7
147.11656	11.6
149.05930	1.4
149.09592	6.6
149.13222	12.6
153.12723	2.6
155.08525	2.4
157.10136	9.1
159.08044	2.0
159.11662	5.8
161.09608	1.6
161.13246	1.2
163.11143	4.8
165.12758	2.4
167.08446	0.9
169.10176	1.9
171.08022	1.1
171.11610	1.7
173.04517	2.0
173.09631	1.1
175.11142	7.4
175.14786	1.1
177.12735	4.5
181.12177	2.6
183.11670	1.5
185.13280	1.6
189.11197	1.3
189.12737	0.9
191.10646	3.4
193.12219	24.2
195.12067	1.7
195.13750	8.6
211.13251	39.0
213.14775	1.9
225.12674	1.3
227.12712	6.3
229.14339	1.8
229.80896	0.9
233.15230	1.3
245.15479	0.9
249.14873	2.1
251.16522	1.2
267.15875	10.3
269.17435	11.2
273.15042	1.1
275.16522	1.3
285.16995	3.3
291.16217	1.0
297.48331	1.0
301.14310	1.4
305.17532	1.0
319.15448	1.8
321.16965	1.5
337.16534	3.5
339.17941	4.8
351.23401	1.0
355.17447	8.2
359.44037	1.0
369.24136	1.6
377.19568	1.9
387.25467	1.6
393.19492	1.1
395.20721	2.6
411.20074	6.0
413.21686	1.1
417.26331	1.2
425.25940	1.0
435.27341	2.5
443.27905	3.6
461.28909	20.2
462.29141	1.5
479.29959	14.5
485.28940	1.1
495.29880	1.6
503.29865	1.2
569.30890	1.7
587.31952	3.1
605.32947	9.6
623.34161	100.0
624.34656	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	623.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
54.34332	0.5
55.01866	0.6
55.05503	2.8
55.30640	0.4
65.03910	0.6
67.05490	4.9
69.03422	0.6
69.07051	1.6
70.35958	0.4
71.04963	0.5
71.63155	0.7
74.67741	0.4
79.05484	4.1
81.03420	0.9
81.07037	5.1
83.04951	0.6
83.08599	2.1
85.06549	0.5
90.57146	0.5
91.05469	4.0
93.07028	4.2
95.04983	0.8
95.08579	2.3
97.10140	2.2
105.07030	2.6
107.04993	0.7
107.08564	3.3
109.06494	1.1
109.10152	1.2
111.08073	0.5
115.05482	0.6
117.06992	3.8
118.10653	0.4
119.08578	3.8
120.08077	0.4
121.10158	1.2
125.09624	1.8
129.07005	0.9
131.08562	1.2
133.10123	1.9
135.08037	0.7
135.11679	0.9
143.08572	1.2
145.06458	3.2
145.10126	1.7
147.08023	0.5
147.11697	0.9
149.09538	0.4
157.10141	0.8
159.11737	0.6
161.13141	0.5
169.10117	0.6
171.11589	0.5
173.09605	0.5
183.11713	0.6
189.11267	1.5
227.12625	0.6
253.16031	0.6
261.21957	0.6
271.16901	5.2
281.06882	0.5
285.67978	0.4
289.18048	1.6
335.25717	1.2
345.20615	0.9
375.15973	0.5
389.17520	2.4
390.18375	1.0
391.19034	3.3
403.19400	3.4
404.19980	1.7
405.20721	8.0
406.21469	0.8
416.20135	0.6
417.16501	6.2
417.21765	0.9
418.17447	3.2
419.18369	3.0
426.57904	0.5
431.18250	5.6
432.19370	7.1
433.20074	8.0
434.21170	0.9
444.18900	0.5
445.20407	2.5
446.20779	0.8
449.23630	1.0
457.20157	0.5
459.21771	1.8
459.54480	0.5
461.19250	2.3
462.20413	1.3
463.21265	2.0
464.22192	0.7
475.21536	1.6
476.21936	3.7
477.23367	3.6
489.22894	1.4
491.24323	1.5
503.24435	0.7
519.23853	23.2
520.23956	0.5
521.21521	1.2
535.26477	0.8
563.26471	15.0
564.26868	1.0
579.25958	5.6
605.27325	0.5
605.41779	1.8
623.28522	100.0
623.42902	4.7
624.28882	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
67.05489	1.3
69.51621	0.4
69.51941	3.3
79.05477	0.8
81.07034	0.8
91.05474	0.8
93.07042	0.9
95.08598	0.8
98.20698	0.7
105.07005	0.6
109.10155	0.6
117.07001	0.4
119.08578	0.8
123.08078	0.3
123.11676	0.5
133.10127	0.4
145.06483	0.5
148.10950	0.3
248.04117	0.3
289.18100	0.4
315.96997	0.3
360.54727	0.4
389.17535	0.7
390.18549	0.5
391.19095	1.0
392.20187	0.5
401.17819	0.5
402.18982	0.5
403.19183	1.6
404.20010	0.7
405.20819	1.7
406.21582	0.5
407.22449	1.0
415.19376	0.9
416.20102	1.0
417.16382	0.9
417.21698	1.8
419.22745	2.9
420.23126	0.9
428.16269	0.5
429.21118	0.8
430.17792	1.2
431.17877	2.5
431.23465	0.7
432.19171	1.2
433.20038	4.9
433.24579	0.4
435.21680	0.8
443.18729	1.3
444.19354	1.3
445.19940	5.8
446.20950	2.7
447.21948	4.3
448.22534	1.0
449.23392	0.5
457.20233	0.6
458.20786	4.8
459.21750	5.0
460.22723	3.8
462.20508	0.9
463.21057	1.8
465.22928	0.7
472.22467	0.8
473.23224	1.7
475.21432	1.6
476.21918	0.6
477.22949	1.8
489.19666	0.4
489.22800	0.4
505.22644	1.1
513.23126	0.4
517.22260	0.8
518.22998	4.5
519.23608	0.6
521.21680	0.6
531.23975	0.5
532.24469	0.8
533.25507	7.0
534.25977	0.6
535.26648	1.1
545.25513	2.8
546.26105	1.5
563.26404	6.9
573.24963	1.0
577.28479	0.5
605.27429	10.2
606.27734	0.6
623.28558	100.0
624.28931	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	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
54.12250	0.3
55.01859	1.3
55.05511	1.9
57.03422	0.3
65.03939	0.3
67.05501	3.9
68.37122	0.3
69.03433	0.3
69.07069	2.3
71.04981	0.4
71.63347	0.5
79.05479	2.9
81.03402	1.2
81.07049	4.0
83.04978	0.7
83.08613	1.0
91.05464	4.6
93.07040	3.6
95.01326	0.4
95.04958	1.0
95.08588	2.5
95.62328	0.3
97.06516	2.3
97.10158	1.0
99.57746	0.3
101.93065	0.3
105.07014	4.6
107.04953	1.3
107.08595	1.9
109.06525	0.6
109.10155	1.4
117.07010	1.7
119.08562	2.6
121.06490	0.4
121.10146	1.4
125.09670	0.4
129.06999	0.8
131.08546	2.3
133.10104	2.7
135.11693	0.8
137.09639	0.5
141.06960	0.5
143.08537	0.8
145.10109	1.6
147.11696	1.2
149.09644	1.1
149.13258	0.5
155.08409	0.3
157.10141	1.0
159.08072	0.4
159.11659	1.6
161.09619	0.3
161.13203	0.6
163.11168	0.6
169.10103	0.7
171.11632	0.4
173.13266	0.7
177.12782	0.6
179.14371	0.8
183.11676	0.6
187.14777	0.3
215.17885	0.4
257.19019	1.9
275.20053	6.1
289.18008	0.6
293.21103	1.0
305.62762	0.3
349.23886	0.5
387.15881	0.4
389.17551	1.3
390.18439	0.5
391.19418	0.5
401.17746	0.6
402.18396	0.8
403.19690	1.5
404.19971	0.7
405.20831	1.0
415.19339	1.0
416.20291	0.8
417.17017	1.9
417.20959	1.8
418.17410	0.7
419.22464	5.3
420.23157	0.4
429.16635	0.6
430.17206	0.6
431.18637	2.5
431.22815	1.5
432.18964	1.6
433.20300	2.2
435.21774	0.6
442.18143	0.5
443.18594	3.5
444.19342	1.3
445.19983	8.0
446.21008	4.3
447.22205	4.3
449.23468	1.5
450.23718	0.5
457.20105	0.6
458.21191	0.9
459.21973	2.9
460.22342	0.8
461.19217	1.6
461.29504	0.4
462.20319	1.4
463.21442	2.1
465.23334	0.4
473.23315	1.3
475.21286	1.6
476.22079	4.6
477.22787	6.1
478.23373	0.4
489.22815	2.2
490.23529	0.9
491.20853	1.0
503.24356	0.6
505.22119	1.0
517.22296	0.4
518.23059	0.4
521.21893	1.5
525.36316	0.6
531.23975	0.4
533.25433	15.3
534.25909	0.7
535.26691	0.5
545.25464	0.9
548.24396	0.5
561.24933	0.6
563.26465	19.2
564.26703	1.0
590.25262	0.4
591.25647	0.6
592.26886	0.6
593.27728	4.5
594.24658	0.6
605.27588	1.4
605.42352	1.0
623.28552	100.0
623.42847	6.1
624.28833	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	623.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.3
55.05505	0.4
61.07314	0.3
67.05492	0.8
69.07052	0.6
70.18302	0.3
71.07764	0.4
71.08096	0.5
79.05484	0.5
81.03427	0.6
81.07023	1.0
82.01740	0.3
85.66306	0.3
90.12648	0.3
91.05479	0.7
93.07019	0.8
95.04962	0.5
95.08586	0.8
105.06981	0.8
107.08570	0.4
109.10149	0.4
119.08541	0.4
128.68669	0.3
131.08504	0.5
141.78815	0.3
189.12503	0.4
227.29871	0.4
270.43250	0.4
275.15573	0.4
324.14969	0.4
326.12570	0.4
374.16211	0.5
376.16779	0.9
389.18134	0.5
390.18436	1.0
391.19168	1.6
404.15942	0.8
404.20682	0.4
405.20929	3.9
415.19113	1.3
416.20145	0.8
417.20740	1.2
418.17535	0.8
419.17709	1.7
419.22983	0.7
420.23224	1.5
421.24112	0.6
428.20074	0.7
429.20721	3.3
430.21649	1.1
431.17975	0.5
431.22879	0.6
432.15643	0.8
433.19846	4.7
433.25342	0.3
435.22061	0.5
442.21524	0.7
443.22729	2.1
444.23154	1.4
445.23892	1.1
446.17020	0.8
446.24835	0.5
447.17838	10.3
448.23059	2.9
449.23544	2.8
452.21872	1.0
455.18381	0.4
457.24512	0.6
458.24762	1.4
459.21353	4.0
460.22522	2.6
461.19257	9.9
462.20554	1.4
463.21201	2.1
470.21057	0.4
471.21863	0.6
472.22568	2.2
473.23712	2.2
474.24207	0.6
475.21259	1.7
476.21979	31.9
477.22791	5.7
479.20679	2.4
485.23492	3.0
486.24161	0.7
487.25159	3.0
489.19479	1.5
491.24866	0.5
500.21799	0.5
503.25162	2.1
507.27496	0.7
508.24417	0.8
517.26349	1.8
518.23370	0.8
519.23492	2.0
521.21667	1.0
525.40875	0.8
531.23840	4.2
532.24554	1.0
535.23761	0.6
545.25403	21.9
546.25555	1.5
547.26788	1.6
563.26459	13.9
564.27179	0.8
573.24756	0.6
577.27582	0.7
589.38525	0.4
591.25732	1.6
605.27277	3.8
623.28516	100.0
624.29169	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	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	0.4
67.05460	0.6
69.07030	0.3
69.29777	2.2
79.05459	0.6
81.03368	0.5
81.07030	0.5
91.05415	0.7
93.06988	0.6
94.52798	0.2
95.08555	0.6
104.11730	0.2
105.06964	0.5
107.08546	0.3
109.10109	0.3
119.08527	0.5
131.08504	0.3
133.10062	0.4
137.42769	0.2
235.81369	0.3
251.15208	0.3
335.82367	0.3
376.17548	0.3
377.17157	0.4
391.19278	0.6
393.28284	0.2
399.15887	0.4
400.17099	0.4
401.17706	0.5
403.19110	0.6
404.20532	0.5
413.17661	1.0
414.18408	1.1
415.19366	1.5
416.20020	0.7
417.21292	0.4
418.17371	0.3
418.22192	0.4
419.18033	0.7
419.22418	0.8
420.23245	0.3
421.20294	0.3
427.19125	0.7
428.19897	0.9
429.20746	6.0
430.21991	1.2
431.17950	1.2
432.19312	0.6
433.24567	1.4
434.20569	0.4
435.21765	0.4
441.16528	0.3
442.21732	0.5
443.22479	4.1
444.23755	2.5
445.18903	0.5
445.23840	1.5
447.22574	1.9
448.21875	0.5
449.23569	1.3
455.18570	0.6
456.19412	0.6
457.19180	0.6
457.23898	1.7
458.24936	3.2
459.21649	3.7
460.22635	1.9
461.18893	1.1
461.23380	2.5
462.20282	1.9
463.21237	0.6
469.19879	0.4
470.21146	0.6
471.22049	1.2
472.22516	4.1
473.23578	3.5
474.19727	0.4
475.20706	1.5
476.21771	1.7
477.22784	3.3
485.23352	6.5
486.24173	1.4
487.25110	3.5
488.21854	0.7
489.22711	1.1
490.23703	0.4
501.23254	0.3
502.23380	0.3
503.24387	2.8
504.25961	0.3
505.22131	0.3
512.73749	0.3
513.23053	0.4
517.26276	3.8
519.24219	1.1
520.24414	0.8
521.22107	1.0
525.40698	0.6
531.23846	4.6
532.24365	0.9
535.23315	0.3
545.25439	50.7
546.25861	2.9
548.24225	0.5
563.26392	11.9
564.26569	0.9
573.25012	0.3
577.28156	0.7
591.25995	0.9
605.27545	4.5
623.28534	100.0
624.28711	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	623.285
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38235	0.6
69.38647	2.5
75.72287	0.3
81.06971	0.3
89.05949	0.4
90.63078	0.3
95.98163	0.3
99.47942	0.3
109.38522	0.3
145.58156	0.3
184.42285	0.3
223.12209	0.6
237.13797	0.4
251.15251	0.4
254.65712	0.3
349.36511	0.3
376.16943	0.6
377.17438	1.0
389.18121	0.5
390.18533	0.9
391.19119	1.9
391.30679	0.3
392.19882	1.7
393.20660	1.1
399.15869	0.8
400.16611	0.9
401.17563	1.1
402.18851	0.5
403.19662	1.0
404.20367	0.9
405.16644	0.3
405.20795	2.9
406.21429	2.8
407.16779	0.5
407.22244	9.0
413.17496	1.1
414.18335	1.9
415.19180	3.4
416.19910	0.9
417.20724	0.8
419.22897	1.6
420.22882	1.0
421.18442	0.6
421.23810	7.1
422.24677	3.0
427.19287	1.1
428.20169	2.0
429.20792	8.5
430.21860	2.0
431.22693	0.7
432.19177	0.6
433.19464	1.1
433.23856	1.4
435.25668	0.4
441.21008	0.6
442.21484	1.2
443.17648	0.3
443.22336	5.0
444.23276	3.8
445.20114	1.3
446.20685	0.4
447.12695	0.3
447.17279	1.6
448.18497	0.5
452.22101	0.4
455.18683	1.1
456.19376	0.9
457.24789	2.8
458.24911	5.0
459.21719	6.7
460.23099	1.7
461.18930	3.2
462.20261	1.6
463.21167	1.0
470.21198	0.6
471.21494	1.6
472.22641	5.3
473.23083	1.9
474.20068	0.7
475.21133	5.3
476.21548	3.9
477.22470	2.4
478.23654	0.8
483.18140	0.6
484.18680	0.7
485.23462	12.2
486.20135	2.0
486.24084	2.3
487.20261	0.5
487.25760	0.5
488.21875	1.2
489.22342	2.1
490.23618	0.4
491.25165	0.4
493.26019	0.7
499.21112	3.3
500.21823	1.9
501.22891	0.6
502.23535	0.9
503.24448	5.9
504.21402	0.7
505.22253	0.4
507.23911	1.0
508.28748	0.8
513.22791	2.9
514.23651	1.7
515.24347	0.6
517.26208	6.4
519.23676	0.5
521.25800	0.5
529.26013	2.4
530.23010	0.9
531.23877	1.2
535.27161	4.9
536.27496	0.6
545.25409	69.4
546.25739	4.2
547.26123	0.4
556.82654	0.4
559.22815	0.4
562.25812	0.8
563.26501	0.7
564.27234	1.4
573.24872	16.6
574.25446	0.9
577.27979	0.4
591.25818	1.1
605.27496	79.1
606.27917	3.7
623.28558	100.0
624.28882	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	621.3777
Annotation	Coccinone C
Peak:m/z	Relative Intensity
50.34279	0.6
51.75541	0.7
53.03934	1.6
55.01857	0.8
55.05504	6.1
57.03419	0.9
57.07059	2.7
57.27994	0.5
59.05018	0.7
65.03928	1.8
67.05495	10.6
67.53585	0.5
69.03392	1.4
69.07056	7.8
70.75231	0.8
71.04974	0.8
71.08591	0.7
71.62337	0.8
79.05476	7.6
81.03400	5.4
81.07043	19.2
83.04972	1.9
83.08601	7.4
85.02872	1.4
85.06532	4.4
91.05466	16.6
93.07026	14.4
95.04961	3.2
95.08588	26.8
97.02863	1.6
97.06519	1.5
97.10149	1.8
99.08075	0.7
105.07011	14.4
107.04942	2.0
107.08573	18.4
109.02880	1.1
109.06497	1.2
109.10132	12.4
111.08074	1.3
117.07007	2.9
119.04919	20.6
119.07771	1.1
119.08564	12.7
121.06463	0.9
121.10120	17.8
123.04391	1.6
123.08025	0.9
123.11689	6.2
125.09636	0.9
127.03910	1.4
129.06967	2.1
130.07805	0.7
131.08560	6.6
133.06387	0.8
133.10112	10.5
135.08031	0.9
135.11665	16.4
137.09589	1.2
137.13229	7.7
141.06921	0.8
143.08545	4.3
144.09399	0.6
145.10098	7.8
147.04387	100.0
147.11668	10.1
148.04691	1.0
149.02325	4.1
149.09615	1.7
149.12009	1.0
149.13223	17.8
151.14789	2.2
155.08554	1.7
157.10109	3.6
159.11664	6.0
161.13234	5.9
163.11131	1.3
163.14787	3.3
164.15207	0.6
165.05463	26.5
165.06874	1.4
165.12715	1.1
169.10112	2.2
171.11665	4.8
173.09666	1.1
173.11826	1.2
173.13222	5.8
175.11136	1.5
175.14821	4.4
176.99327	0.6
177.12810	2.3
177.16376	19.0
179.08511	0.7
179.17859	0.7
183.11671	2.4
185.09660	1.0
185.13185	5.0
187.11195	0.9
187.14754	4.4
189.12738	2.1
189.16365	5.2
191.14285	1.5
191.17885	5.1
193.04953	2.3
193.12286	0.7
195.13766	1.1
197.13187	2.4
199.14798	3.8
200.15544	0.8
201.12730	1.7
201.16325	3.4
203.14294	1.2
203.17929	11.8
205.12152	0.9
205.15808	1.7
205.19507	1.2
209.46945	0.6
211.14928	0.8
213.12764	1.2
213.16344	1.8
215.14331	5.0
215.17986	1.9
217.19499	2.7
219.13795	1.7
223.12999	3.2
223.15097	0.8
225.16330	2.0
227.14545	0.8
227.17918	1.3
231.13774	0.9
233.15312	1.2
235.13228	1.4
237.16449	0.9
241.15727	1.8
243.13744	1.8
243.17422	2.5
251.18044	1.0
255.17252	0.8
257.18970	1.0
261.14795	3.6
271.16748	1.5
273.18436	0.8
285.18430	0.9
289.17999	3.3
315.19547	2.2
329.20966	1.0
339.23026	0.6
345.24023	1.3
349.28787	1.2
357.24231	1.1
367.29767	1.3
373.65234	0.7
375.30371	2.1
390.31094	0.6
393.31461	8.0
395.29382	2.4
411.32556	3.4
413.30447	2.2
421.30914	5.4
439.32037	27.4
440.32242	0.8
457.32965	8.2
459.27225	0.7
523.33746	1.4
551.32983	0.7
621.15778	2.0
621.31921	7.5
621.39697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34279	0.6
51.75541	0.7
53.03934	1.6
55.01857	0.8
55.05504	6.1
57.03419	0.9
57.07059	2.7
57.27994	0.5
59.05018	0.7
65.03928	1.8
67.05495	10.6
67.53585	0.5
69.03392	1.4
69.07056	7.8
70.75231	0.8
71.04974	0.8
71.08591	0.7
71.62337	0.8
79.05476	7.6
81.03400	5.4
81.07043	19.2
83.04972	1.9
83.08601	7.4
85.02872	1.4
85.06532	4.4
91.05466	16.6
93.07026	14.4
95.04961	3.2
95.08588	26.8
97.02863	1.6
97.06519	1.5
97.10149	1.8
99.08075	0.7
105.07011	14.4
107.04942	2.0
107.08573	18.4
109.02880	1.1
109.06497	1.2
109.10132	12.4
111.08074	1.3
117.07007	2.9
119.04919	20.6
119.07771	1.1
119.08564	12.7
121.06463	0.9
121.10120	17.8
123.04391	1.6
123.08025	0.9
123.11689	6.2
125.09636	0.9
127.03910	1.4
129.06967	2.1
130.07805	0.7
131.08560	6.6
133.06387	0.8
133.10112	10.5
135.08031	0.9
135.11665	16.4
137.09589	1.2
137.13229	7.7
141.06921	0.8
143.08545	4.3
144.09399	0.6
145.10098	7.8
147.04387	100.0
147.11668	10.1
148.04691	1.0
149.02325	4.1
149.09615	1.7
149.12009	1.0
149.13223	17.8
151.14789	2.2
155.08554	1.7
157.10109	3.6
159.11664	6.0
161.13234	5.9
163.11131	1.3
163.14787	3.3
164.15207	0.6
165.05463	26.5
165.06874	1.4
165.12715	1.1
169.10112	2.2
171.11665	4.8
173.09666	1.1
173.11826	1.2
173.13222	5.8
175.11136	1.5
175.14821	4.4
176.99327	0.6
177.12810	2.3
177.16376	19.0
179.08511	0.7
179.17859	0.7
183.11671	2.4
185.09660	1.0
185.13185	5.0
187.11195	0.9
187.14754	4.4
189.12738	2.1
189.16365	5.2
191.14285	1.5
191.17885	5.1
193.04953	2.3
193.12286	0.7
195.13766	1.1
197.13187	2.4
199.14798	3.8
200.15544	0.8
201.12730	1.7
201.16325	3.4
203.14294	1.2
203.17929	11.8
205.12152	0.9
205.15808	1.7
205.19507	1.2
209.46945	0.6
211.14928	0.8
213.12764	1.2
213.16344	1.8
215.14331	5.0
215.17986	1.9
217.19499	2.7
219.13795	1.7
223.12999	3.2
223.15097	0.8
225.16330	2.0
227.14545	0.8
227.17918	1.3
231.13774	0.9
233.15312	1.2
235.13228	1.4
237.16449	0.9
241.15727	1.8
243.13744	1.8
243.17422	2.5
251.18044	1.0
255.17252	0.8
257.18970	1.0
261.14795	3.6
271.16748	1.5
273.18436	0.8
285.18430	0.9
289.17999	3.3
315.19547	2.2
329.20966	1.0
339.23026	0.6
345.24023	1.3
349.28787	1.2
357.24231	1.1
367.29767	1.3
373.65234	0.7
375.30371	2.1
390.31094	0.6
393.31461	8.0
395.29382	2.4
411.32556	3.4
413.30447	2.2
421.30914	5.4
439.32037	27.4
440.32242	0.8
457.32965	8.2
459.27225	0.7
523.33746	1.4
551.32983	0.7
621.15778	2.0
621.31921	7.5
621.39697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.4
55.01864	7.6
55.05504	20.1
57.03427	8.6
57.07063	1.1
59.04989	1.0
65.03423	0.7
65.03934	3.1
67.05493	29.4
69.03069	1.1
69.03410	12.4
69.07055	9.6
70.19032	1.6
71.01337	2.1
71.04991	7.0
73.02909	1.2
77.03895	0.8
79.05482	32.7
81.03405	100.0
81.07041	34.3
83.04970	19.0
83.08606	22.3
85.02894	22.3
85.06521	2.4
87.04442	0.7
88.79318	0.7
91.05466	39.3
93.06459	1.4
93.07031	24.4
95.01312	1.1
95.04953	40.1
95.08591	14.3
97.02879	14.8
97.06514	5.8
97.10159	8.5
99.00803	0.8
99.04451	4.3
99.08116	1.2
101.06052	0.8
103.03935	1.1
103.05447	2.2
105.03355	1.3
105.07014	30.3
107.04935	16.0
107.08577	12.4
109.02110	1.3
109.02860	23.2
109.06499	6.3
109.10151	6.1
111.04432	9.9
111.08060	10.4
113.05999	2.1
115.05436	3.6
117.06985	7.6
119.04930	2.8
119.08559	20.8
121.02858	1.3
121.06490	7.1
121.10123	10.9
123.04407	6.7
123.08029	4.6
123.11709	2.9
125.02338	3.6
125.05967	1.5
125.09603	6.4
127.03890	9.8
128.06207	2.6
129.05510	1.5
129.06987	15.6
131.03328	0.9
131.04907	3.9
131.08553	16.0
133.06459	7.5
133.10104	13.1
135.04375	1.6
135.08038	3.0
135.11658	4.7
137.02315	0.9
137.05989	2.7
137.09593	1.9
139.07489	0.8
141.06972	2.4
142.07780	3.4
143.08539	4.1
145.05099	1.0
145.06451	5.9
145.10135	7.6
147.04385	4.0
147.08014	6.3
147.11665	18.0
149.05972	3.0
149.09587	8.5
151.07578	1.1
151.11194	1.0
153.06931	0.7
153.09161	1.2
153.12762	1.9
155.08530	3.3
157.05222	0.7
157.06538	2.0
157.10109	14.4
159.08057	3.2
159.11694	2.8
161.05966	3.6
161.09610	2.5
161.13222	0.8
163.07574	1.6
163.11131	6.3
165.05432	1.3
165.07027	0.8
165.09073	0.8
165.12737	4.5
167.08514	1.5
169.06506	1.0
169.10123	2.1
171.04413	1.0
171.08029	3.1
171.11668	2.7
173.04453	5.7
173.05992	2.4
173.09604	2.7
174.06850	1.2
175.07536	2.1
175.11172	13.2
177.05432	1.2
177.12759	1.3
181.10213	1.1
181.12212	3.2
183.08121	1.2
183.11681	1.2
185.09593	1.2
185.13255	1.1
187.07556	1.9
187.11223	1.4
189.05498	2.2
189.09215	1.0
189.11209	3.0
189.12753	2.1
191.07124	0.8
191.09074	0.6
191.10623	3.7
193.12215	36.4
195.11711	1.6
197.09651	0.9
197.13263	0.9
199.11197	1.3
201.12679	0.7
203.14320	0.8
205.12273	2.2
207.11818	0.8
207.13841	1.9
209.11594	1.3
209.13390	0.7
211.13255	45.1
213.09102	0.8
213.12749	1.4
217.12131	1.2
223.13307	1.8
227.12610	5.8
229.12265	1.1
229.14339	1.1
231.13814	1.4
235.11256	0.8
235.13210	3.6
237.12762	1.1
241.12323	0.8
243.13815	1.6
245.15356	0.9
247.13210	1.5
249.14960	3.9
253.14430	0.9
255.13809	2.8
257.15424	0.7
259.13333	2.7
261.15067	1.1
265.12106	1.0
265.14554	1.0
267.15921	14.1
271.13275	1.4
273.14865	10.1
277.14444	2.0
283.13080	1.8
283.15710	1.0
285.17059	9.8
289.14331	2.1
291.15866	1.8
301.14267	16.2
301.17468	0.9
303.15982	1.2
309.16931	1.3
313.16287	1.2
319.15314	8.7
319.18314	0.8
321.17041	1.0
337.16501	5.0
341.17407	0.9
349.21780	0.9
355.17636	4.0
357.16806	1.8
367.22675	1.7
369.19308	0.9
375.17941	5.6
385.23730	3.0
393.19025	7.6
403.24756	1.1
411.20251	3.3
421.25961	0.9
441.26434	1.3
459.27353	9.2
475.25513	0.9
477.28384	8.7
483.27383	1.1
493.26254	1.0
495.29523	6.2
501.28604	1.8
511.27127	1.3
519.29565	0.9
525.28693	0.9
529.28143	1.0
539.30084	1.1
543.29657	1.9
544.60248	0.7
549.27765	1.0
555.29712	1.0
557.30872	1.6
561.31580	0.8
567.29285	2.5
573.30438	3.4
585.30481	13.6
603.31586	15.4
621.32593	83.0
622.32855	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
55.01859	6.7
55.05256	1.4
55.05503	21.6
57.03427	8.7
57.07054	1.4
59.05002	0.9
65.03417	1.0
65.03924	2.8
66.27473	0.7
67.05495	34.6
69.03072	1.1
69.03407	14.8
69.07065	9.7
71.01329	1.6
71.04989	5.6
71.42078	1.5
73.02911	1.2
73.06572	0.8
79.05479	33.1
79.15949	1.0
81.03404	100.0
81.07040	37.0
82.03760	1.0
83.04966	17.4
83.08601	20.9
85.02411	1.6
85.02892	20.2
85.06526	3.6
91.05466	39.8
93.07029	23.0
95.01277	0.9
95.04955	39.8
95.08595	19.6
97.02873	14.7
97.06522	7.3
97.10154	8.8
99.04431	4.5
99.08081	1.9
103.03931	1.3
103.05458	2.8
105.07014	31.7
107.04932	13.1
107.08571	14.5
109.02856	22.2
109.06496	8.4
109.10129	9.5
111.04426	12.8
111.08060	9.4
113.05986	2.9
115.05420	2.9
117.06992	9.7
119.04926	2.8
119.08560	22.8
121.02891	1.8
121.06504	7.9
121.10123	14.6
123.04415	7.1
123.08031	4.8
123.11686	5.1
125.02355	2.8
125.06005	2.3
125.09610	5.5
127.03909	9.5
127.11214	0.9
128.06218	2.8
129.06981	14.4
131.04887	4.3
131.08542	17.5
133.06487	6.5
133.10109	14.4
134.27304	0.7
135.04433	1.3
135.08064	4.0
135.11665	4.1
137.05965	4.0
137.09567	3.9
137.13213	1.5
139.03871	1.0
139.07495	0.9
141.06984	1.7
142.07738	2.5
143.08554	3.9
145.04970	1.2
145.06464	6.0
145.10100	9.9
147.04388	2.9
147.07982	6.4
147.11662	20.4
149.05951	4.1
149.09579	8.6
151.03966	1.3
151.11137	2.0
153.01810	3.7
153.09090	2.0
153.12747	2.3
155.08511	2.1
157.06520	1.1
157.10106	14.6
159.08051	2.9
159.11687	3.5
161.05981	4.0
161.09598	2.4
161.13295	1.7
163.11151	9.0
165.05496	1.5
165.06972	0.8
165.09102	1.9
165.12750	5.3
167.07047	1.1
167.08586	1.1
169.10173	2.0
171.04437	1.2
171.08047	2.5
171.11687	2.9
173.04478	4.7
173.05998	2.5
173.09622	2.6
173.13257	1.0
174.06706	1.0
175.07545	1.9
175.11171	12.9
175.14787	1.2
177.05478	1.2
177.12773	1.3
181.10165	1.3
181.12202	2.3
181.17688	0.8
183.08073	0.8
185.09608	1.6
185.13261	0.9
187.07480	1.9
187.11182	3.0
189.05499	2.1
189.09064	1.0
189.11217	2.6
189.12712	2.8
191.10587	4.1
191.14407	1.2
193.12206	36.5
195.13612	1.0
197.09657	1.2
197.13182	1.0
199.11139	1.9
201.12781	1.6
203.10641	1.1
205.08479	1.0
205.12206	2.6
209.11612	0.9
209.13441	1.7
211.13237	41.7
211.15216	2.0
213.12726	1.7
217.12312	2.5
217.15829	0.8
219.13724	1.1
223.13225	1.7
227.12601	6.4
231.13741	1.6
233.11774	0.9
233.15378	1.2
235.13345	2.9
237.12817	1.0
243.13739	0.9
245.15308	1.3
247.13339	2.5
249.14861	3.6
255.13895	2.4
257.15262	2.1
259.13394	2.9
265.14252	1.1
267.15872	13.5
271.13330	1.2
273.14755	9.9
273.25449	1.2
277.14355	1.9
283.13239	3.0
283.15787	1.2
285.17007	8.4
289.14279	1.7
291.16010	1.6
301.14291	14.5
303.15955	1.2
305.24585	1.3
309.16962	1.4
313.16678	1.2
319.15329	7.7
321.17136	1.1
337.16376	6.4
349.21826	1.4
355.17502	2.7
357.16876	1.4
367.22742	1.1
375.17944	7.2
385.23718	2.2
393.18774	4.8
404.20569	0.8
411.19989	2.6
431.28094	1.1
441.26376	1.3
459.27353	8.5
477.28500	8.2
489.28409	1.0
493.26288	2.2
495.29327	5.3
501.28378	1.9
529.28143	1.5
539.30139	0.8
543.29327	2.3
557.30664	1.5
561.30554	1.3
567.29395	3.1
573.30505	3.9
585.30487	13.2
591.30457	1.0
603.31494	16.9
621.32574	90.4
622.33459	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2698
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.75629	0.2
55.05492	0.6
57.77490	0.2
61.23299	0.2
63.28502	0.2
67.05489	1.1
69.07053	0.5
69.92033	1.4
79.05486	0.7
81.03405	0.3
81.07049	0.9
83.04955	0.2
91.05460	0.8
91.50830	0.2
93.07021	0.6
95.08601	0.7
97.02891	0.3
97.06525	0.2
105.07017	0.7
106.87419	0.3
107.04906	0.2
107.08580	0.8
108.86096	0.2
109.02893	0.3
109.10165	0.5
117.06998	0.4
119.08583	0.5
129.06975	0.4
131.08546	0.4
133.10123	0.6
135.11650	0.3
143.08533	0.4
145.10149	0.4
147.11650	0.5
169.10130	0.3
175.50803	0.2
183.11766	0.3
204.06602	0.2
209.10612	0.2
221.10724	0.3
223.12386	0.3
255.86845	0.2
256.19025	0.2
259.08752	0.2
259.12170	0.2
263.11984	0.3
291.19525	0.3
324.14932	0.3
335.11450	0.2
374.15213	0.5
375.16074	0.7
387.16238	0.7
388.16931	1.1
389.17490	2.7
390.18152	1.1
391.19327	0.9
401.18005	0.5
402.18954	1.2
403.15561	0.5
403.19470	3.9
404.19928	1.9
405.20667	1.9
406.21362	0.3
413.17493	0.3
415.14957	0.5
415.19833	0.5
416.16235	1.0
416.20468	0.6
417.16138	3.8
417.21124	2.0
418.17657	0.9
418.21725	0.8
419.22336	7.3
420.22964	1.0
429.16867	0.4
430.17841	1.1
430.22562	0.4
431.18176	7.0
432.19006	3.1
433.19937	2.4
443.18585	0.8
444.19391	0.7
445.20016	6.2
446.20895	6.1
447.21725	10.2
448.22137	0.9
458.21158	0.4
459.17154	0.9
459.21863	2.1
460.18646	0.8
460.23621	0.4
461.19571	1.5
462.20352	0.4
463.21417	0.6
473.19574	1.6
473.24203	0.7
474.20221	5.7
475.21243	7.8
476.21957	0.5
477.23169	0.4
478.24185	0.4
487.21243	3.2
488.21906	0.9
489.22781	0.3
491.19992	1.1
492.25244	0.3
501.22870	1.8
502.23618	0.4
503.20920	0.4
505.25513	1.1
518.22711	0.5
519.19684	0.4
529.22394	0.8
533.25421	17.5
534.25787	1.4
546.22620	0.5
561.24896	22.2
562.25232	2.0
565.28271	0.5
589.24213	0.8
593.27399	3.8
594.27484	0.4
621.26971	100.0
622.27313	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35715	0.3
55.05456	0.5
57.06995	1.2
62.34323	0.3
67.05415	1.4
68.94693	0.3
69.07001	0.6
69.42686	1.6
69.43121	1.2
70.12976	0.3
71.08537	0.9
79.05401	0.5
81.03311	1.0
81.06957	1.6
83.04910	0.3
83.08553	0.7
85.02838	0.5
85.10099	0.6
91.05402	0.7
93.06942	0.8
95.04863	0.8
95.08491	1.1
98.21526	0.6
98.98380	0.5
105.06953	0.6
109.06406	0.5
109.10085	0.3
119.08508	0.5
121.10054	0.3
130.73325	0.3
131.08456	0.6
133.09949	0.3
147.11517	0.3
147.53291	0.3
155.00905	0.6
175.11040	0.3
183.08946	0.4
193.12068	0.9
202.37094	0.3
209.10626	0.7
211.13300	0.8
221.10568	0.6
223.12209	0.5
232.18274	0.3
239.23732	0.3
249.10126	0.3
251.11786	0.3
285.35345	0.3
310.13315	0.4
311.13809	0.3
313.27206	0.5
323.13962	0.4
336.14713	0.3
352.14447	0.5
363.78687	0.3
373.14719	0.6
374.15216	0.9
375.16223	1.4
376.17178	0.5
386.16125	0.5
387.16110	1.0
388.16669	1.9
389.17563	4.8
390.18323	2.8
391.18912	0.9
400.17148	0.4
401.18024	1.9
402.14032	0.6
402.18958	2.6
403.19391	8.6
404.19955	4.8
405.16708	0.3
405.20813	3.2
415.14951	0.8
415.19330	1.0
416.16168	2.0
416.20178	1.3
417.16910	6.4
417.20932	4.8
418.17603	1.5
418.21573	1.2
419.22345	13.3
420.23047	1.0
429.16852	1.2
429.21399	0.7
430.16904	1.8
431.18005	11.5
432.18900	4.1
433.20023	2.7
441.16891	0.4
443.18637	1.3
444.19470	1.6
445.20139	11.1
446.20898	6.7
446.26538	0.5
447.21753	13.0
448.22037	0.8
457.20673	0.5
458.21481	0.6
459.17560	2.5
459.22006	3.2
460.18912	1.6
461.19299	1.3
462.19730	0.4
463.20920	0.5
472.18973	0.4
473.19373	1.9
473.24118	1.1
474.20377	12.7
475.21228	17.9
476.21512	1.1
477.22968	0.4
486.20331	0.6
487.21185	5.6
488.21878	1.4
489.22791	0.5
490.23724	0.8
491.20474	0.5
501.22766	2.9
502.23315	0.4
503.20764	1.0
505.25592	1.5
505.38620	1.1
517.22162	0.6
518.22992	0.7
519.23376	0.4
520.24847	0.5
523.39758	6.0
529.21826	0.7
533.25488	14.2
534.25598	1.0
546.22437	1.2
561.24878	77.1
562.25134	4.6
589.24200	1.8
593.27448	2.9
621.26971	100.0
622.27179	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	621.2692
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.10295	0.2
53.31459	0.2
69.44296	0.6
69.44721	1.0
70.31371	0.2
84.08965	0.2
88.02780	0.2
98.21432	0.3
103.16055	0.2
126.99649	0.1
148.65782	0.2
180.03720	0.2
207.09187	0.2
209.10669	0.3
223.12389	0.2
354.56485	0.2
374.15677	0.2
375.15836	0.4
387.16156	0.3
388.16977	0.5
389.17545	1.5
390.18491	0.7
391.19110	0.6
401.17719	0.5
402.14304	0.4
402.18918	0.4
403.14832	0.3
403.19293	2.2
404.19815	1.0
405.20837	1.6
415.19244	0.4
416.16013	0.5
416.20541	0.4
417.16934	1.8
417.20950	1.4
418.17041	0.4
418.21686	0.5
419.17545	0.3
419.22354	3.8
420.22906	0.4
429.16492	0.2
430.17484	0.5
431.17999	3.7
431.23544	0.4
432.18912	1.2
433.20050	1.3
443.18701	0.4
444.19388	0.4
445.19934	3.5
446.20905	3.5
447.21713	5.4
447.27679	0.3
448.22275	0.4
458.20715	0.3
459.22687	1.3
460.18088	0.3
460.23282	0.2
461.19794	0.7
463.21313	0.3
473.19052	0.5
473.24487	0.4
474.20328	3.8
475.21075	4.3
476.21964	0.4
487.21301	1.8
488.21707	0.4
491.19815	0.8
501.22980	1.2
502.23727	0.3
505.25934	0.6
506.23523	0.4
517.22784	0.3
518.23254	0.4
519.20264	0.3
529.22430	0.4
533.25366	8.8
534.25769	0.5
546.22363	0.4
561.24884	14.6
562.25299	1.1
565.26880	0.3
589.24176	0.7
593.27423	2.5
621.26935	100.0
622.27289	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	621.2694
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.97788	0.5
57.07070	0.8
67.05488	1.5
69.07042	0.7
81.03403	0.8
81.07027	1.5
83.04956	0.6
86.26996	0.6
93.06997	0.7
95.08562	0.6
107.08582	0.6
109.10135	1.3
131.57651	0.5
135.11740	0.7
136.10803	0.5
198.17050	0.5
211.13208	1.4
324.89481	0.6
375.15573	0.7
376.17606	0.9
387.15781	0.7
389.17642	2.3
390.18436	0.7
391.19083	0.7
401.17804	0.8
402.18643	0.9
403.19342	2.9
404.20020	2.3
405.20850	2.1
415.19501	0.9
417.16809	2.0
417.21207	1.6
418.21582	0.8
419.22562	3.9
420.22232	0.8
431.18658	3.5
431.23007	2.1
432.18793	1.0
433.20203	1.6
445.20477	3.7
446.20981	2.5
447.21732	4.8
459.17383	3.5
460.18805	1.4
461.19485	1.7
473.19266	1.4
474.20511	6.4
475.21225	11.7
476.21915	1.1
487.21576	3.3
488.22189	1.2
491.24377	0.8
501.22968	2.7
505.25589	1.0
519.20593	0.8
523.39905	1.8
533.25500	7.1
561.24854	30.1
562.25262	3.2
589.23993	1.3
593.27863	0.8
621.26996	100.0
622.10846	0.6
622.27478	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	620.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01868	0.8
55.05506	5.6
57.03434	7.5
57.07057	1.4
59.04986	1.8
61.02926	2.7
64.30994	0.4
65.03944	1.2
67.05496	55.7
68.05827	0.6
69.03401	1.9
69.07056	7.7
71.04979	3.6
71.62582	0.8
73.02895	1.1
76.96253	0.4
79.05482	11.8
79.41165	0.4
81.03410	4.3
81.07047	29.4
82.07403	0.7
83.04981	2.6
83.08613	7.8
85.02894	4.3
85.06530	2.4
91.03941	1.6
91.05466	10.1
93.07032	19.4
95.04953	2.8
95.08593	8.3
97.02878	2.6
97.06503	4.8
97.10165	0.9
99.04430	0.7
99.08078	1.2
105.07022	3.5
107.04922	1.0
107.08582	10.8
109.02831	1.1
109.06510	1.3
109.10143	42.9
110.10455	0.5
111.08095	3.2
113.06001	0.4
117.07011	2.8
119.08567	4.6
120.95784	0.4
121.06481	1.3
121.10133	6.4
123.08023	0.6
123.11689	1.3
125.09580	0.8
127.03958	1.1
129.06985	1.0
131.08575	3.1
133.06493	0.6
133.10118	3.7
135.08032	1.1
135.11649	3.1
137.09613	1.7
139.11162	0.6
145.06534	0.5
145.10138	1.1
147.11676	1.1
149.02344	0.8
149.09535	1.2
149.13232	10.1
150.01128	0.4
151.11098	0.5
155.10655	1.7
159.11687	4.7
163.11238	0.6
173.11732	11.9
177.12694	2.1
193.05032	0.6
195.13765	4.4
213.14833	0.5
229.14325	36.1
243.15919	0.5
269.14490	0.9
269.17453	34.8
423.27362	100.0
424.27692	2.7
567.31458	0.8
620.32239	0.9
621.32422	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	620.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01851	2.8
55.05486	1.0
65.03926	6.2
67.05490	4.9
69.03379	2.7
69.07053	2.0
70.06565	1.3
71.04984	1.8
71.62969	1.8
75.04438	2.0
79.05463	4.2
81.03396	4.3
81.07060	6.3
83.04926	1.9
85.02895	3.8
85.06525	1.4
91.05450	7.6
93.03414	7.6
93.07040	8.9
95.01280	1.5
95.04980	5.5
95.05473	1.0
95.08580	3.1
97.02843	1.4
97.06526	5.0
99.04453	2.4
103.05434	3.6
105.03331	1.1
105.07009	5.8
106.04159	11.4
107.04944	5.9
107.08556	3.8
109.02853	4.5
109.06520	2.2
109.10104	1.7
110.03625	3.2
111.04438	7.3
111.08066	2.1
115.05429	1.5
117.07001	1.7
119.04905	1.4
119.08545	2.9
121.02859	8.5
121.06481	21.7
121.10132	2.8
123.04385	2.1
123.08049	1.0
125.05988	13.0
127.03896	6.0
127.07521	2.2
129.06944	1.2
131.04868	2.7
131.08557	1.1
133.06464	1.1
133.10066	1.3
134.03584	2.1
135.04440	1.6
135.07999	2.0
137.05949	8.1
139.07471	1.6
143.07024	2.2
145.06477	3.0
145.08577	2.0
145.10066	1.3
147.04396	4.6
147.07988	1.9
147.11646	3.8
148.05141	2.6
149.04764	1.5
149.05966	28.3
151.03897	2.1
151.07538	2.8
153.01788	8.1
153.05452	15.2
153.09041	7.7
154.02144	1.8
155.08524	1.3
157.06479	2.4
157.10106	2.2
158.70776	1.1
159.04367	1.1
160.68915	1.0
161.05946	3.3
161.09505	1.6
163.03891	3.7
163.07504	2.7
165.05586	1.6
165.06987	3.6
165.09135	0.9
165.12744	2.5
167.07024	9.2
167.08313	1.6
169.06432	1.0
169.31516	1.1
171.02798	1.0
171.11649	2.1
172.01361	0.9
173.05989	1.8
173.09663	1.1
175.07481	2.3
175.11148	3.8
177.05447	16.9
178.07729	2.5
179.08549	1.6
181.06921	1.7
181.08571	15.3
181.10031	2.0
183.08043	2.7
187.05945	1.2
188.03760	6.0
188.09181	5.9
189.12737	2.8
191.06969	4.9
192.07718	1.0
193.06606	1.2
193.08589	2.4
193.10173	2.0
193.12102	2.1
195.06416	1.7
195.08076	1.8
196.08749	1.6
197.05937	3.0
198.06740	1.8
199.07532	0.9
199.11139	3.0
205.06856	1.4
205.08696	1.6
209.08057	96.0
210.06650	1.9
210.08426	2.5
211.07526	8.3
211.11163	1.1
211.13239	1.7
213.09013	1.2
217.12238	6.2
221.06088	1.3
221.09540	4.0
223.07475	3.5
224.08279	4.1
225.08940	1.3
226.06166	7.9
235.09622	2.0
235.13222	8.7
238.06276	2.4
239.07001	26.4
239.10550	10.1
240.07687	2.6
241.04915	1.4
241.08392	2.8
249.09140	1.6
252.07793	2.5
253.08556	1.6
253.14314	10.1
254.05582	2.5
255.06444	3.4
256.07385	1.5
257.11670	1.5
267.06583	3.5
267.10126	7.7
269.08060	2.7
270.08847	3.1
271.09521	1.5
271.15280	1.8
277.08505	1.2
281.08023	1.8
282.08813	1.7
283.09644	1.6
284.10355	1.2
285.11127	13.2
295.09637	3.7
296.10004	1.3
299.09070	6.9
299.12723	2.7
307.09540	1.2
313.10638	46.0
314.11206	3.6
327.12082	3.0
331.15204	1.7
343.15436	1.2
345.13272	100.0
346.13535	4.4
347.14771	1.7
357.13303	9.1
361.16394	1.9
371.14490	1.2
375.14334	6.8
379.17682	1.8
387.14130	1.4
397.18506	3.2
449.17590	1.1
468.18607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11051	3.9
53.03933	6.1
55.01868	5.0
55.05502	68.4
55.85168	3.8
57.07069	18.8
59.04987	6.7
65.03941	5.4
67.05483	35.7
69.03424	15.2
69.07053	25.3
69.07635	3.8
71.04990	11.3
71.08630	5.0
79.05484	35.6
81.07048	78.3
82.07366	5.0
83.04966	15.5
83.08606	100.0
83.30079	4.7
85.06541	16.3
87.04463	7.3
91.05468	57.0
93.07031	96.5
95.04961	26.2
95.05486	3.4
95.08595	55.5
96.08945	5.3
97.06501	41.9
97.10171	5.2
98.20685	9.4
99.04432	9.0
100.47192	3.8
103.05332	5.4
105.07014	97.8
106.07304	4.6
107.04947	8.8
107.08583	82.9
108.08929	6.2
109.06509	17.8
109.10153	39.2
111.08057	6.5
113.09628	15.6
117.06998	24.1
119.04964	6.1
119.08563	87.1
121.06480	10.3
121.10132	61.3
123.08055	26.3
123.11678	9.5
125.06030	6.0
125.09648	19.4
128.06219	9.2
129.07004	19.1
130.07750	6.2
131.08557	41.3
132.08870	4.1
133.10114	59.7
134.10477	5.8
135.08057	11.3
135.11650	23.0
137.09592	14.9
137.13162	4.3
139.11194	13.5
141.06982	12.6
142.07748	22.0
143.08537	32.3
144.09279	10.7
145.06467	5.2
145.10101	82.1
146.10529	4.7
147.04411	23.0
147.08009	16.3
147.11703	30.0
149.09596	14.7
149.13271	10.7
151.07510	10.2
153.12761	4.9
154.09233	4.1
155.08572	14.2
155.10629	20.1
156.09305	12.9
157.10117	57.0
158.10626	8.2
159.07970	4.3
159.11673	43.9
160.08792	6.6
160.12096	4.1
161.09628	8.6
161.13231	13.9
163.11128	14.6
165.09077	25.4
165.12758	3.9
167.08629	9.5
167.10677	6.7
167.14317	5.4
168.09282	4.6
169.10089	25.2
170.10841	8.0
171.10318	7.3
171.11700	26.6
172.12042	6.1
173.09651	9.0
173.13277	19.4
175.11179	6.2
175.14810	17.0
179.08542	9.5
179.14331	8.8
181.10121	10.4
181.12234	33.1
182.10831	8.3
182.12578	5.6
183.11664	18.7
185.09460	5.3
185.13243	19.9
187.11188	6.6
187.14786	13.6
189.16336	10.9
191.14294	12.7
193.10158	8.4
193.12166	6.0
194.10826	8.6
195.11719	22.2
195.13684	6.9
196.12383	8.3
197.13278	18.8
199.14844	27.0
201.12936	4.1
201.16347	13.1
203.14279	14.7
203.17943	6.1
206.10934	5.1
207.11642	11.5
207.13805	15.6
208.14417	6.3
209.13208	13.7
209.15269	10.4
211.14835	14.5
213.12747	4.2
213.16397	7.2
217.15733	4.6
219.11624	4.5
221.13199	10.3
221.15306	68.9
222.15765	8.5
223.14795	9.2
225.14539	25.0
225.16663	9.4
229.84480	4.1
231.13745	5.6
233.15294	21.1
234.16016	6.7
235.14728	6.1
235.16927	8.5
237.16309	7.7
239.18015	4.9
246.16212	4.5
247.14764	7.9
247.17009	5.6
251.17961	4.0
259.16895	4.7
265.19339	6.1
274.14471	3.8
277.19641	4.0
283.20438	9.6
286.19373	4.9
287.19980	15.8
288.20343	8.4
299.20230	5.5
300.20627	11.4
301.21725	7.4
325.21771	6.2
326.21921	6.3
352.23859	17.4
353.24252	26.1
366.25211	4.6
367.26242	8.9
388.07343	4.7
392.37256	4.2
393.27530	6.2
396.81076	4.1
487.55487	5.0
491.35129	9.0
526.36353	4.2
538.36371	6.0
539.36798	51.8
561.92407	4.1
565.40216	4.6
583.41223	16.5
601.42120	17.2
619.43610	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	619.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52230	0.6
55.05504	4.3
55.91742	0.6
56.94358	0.6
57.07050	2.9
65.03942	1.4
67.05490	8.4
69.06709	1.0
69.07052	10.1
71.08610	0.9
79.05478	5.1
81.03397	1.0
81.07043	21.8
83.08604	7.7
91.05469	13.3
93.07034	15.0
95.04951	2.9
95.08591	34.8
97.10155	2.4
103.47231	0.6
105.07018	13.8
107.04925	8.3
107.08577	23.5
109.10137	14.2
111.08118	0.7
117.06990	2.0
118.65093	0.6
119.04085	1.4
119.04926	23.7
119.08562	14.7
121.06494	1.0
121.10125	20.2
123.04415	6.2
123.08051	1.5
123.11688	9.0
125.09598	0.9
129.06964	1.4
131.08557	6.5
133.10117	11.8
135.11671	18.7
135.12689	1.2
137.13232	10.6
143.08543	3.5
145.10109	8.5
147.04385	100.0
147.11656	10.4
148.04703	2.2
149.13229	19.3
151.11180	1.3
151.14807	2.4
155.08501	1.0
157.10103	4.4
159.11656	5.9
160.12268	0.8
161.13234	6.5
163.14772	3.1
165.05455	33.1
165.12787	1.1
169.10101	1.4
171.11736	5.4
171.41702	0.7
173.13261	5.6
175.14787	11.0
177.09163	0.7
177.16357	19.5
179.10524	0.7
179.17998	0.8
183.11626	1.2
185.13232	4.1
187.14807	8.5
189.16345	12.8
191.17924	5.0
193.15852	1.3
197.13284	1.1
199.14790	4.8
201.16350	11.0
203.17924	24.9
205.12212	0.7
205.15816	2.2
205.19316	0.8
207.17372	0.9
211.14838	1.8
213.16360	7.5
214.16943	0.8
215.17944	6.4
217.19485	2.4
219.17392	1.6
221.15263	0.7
225.16324	1.2
227.17781	1.1
229.19499	1.3
229.77968	0.8
231.17413	1.7
233.15294	1.6
239.17934	2.2
241.15663	0.7
241.19470	6.1
243.21005	1.0
245.15257	0.8
247.17041	0.9
249.18494	0.9
253.19518	1.7
255.21056	3.5
257.22565	1.2
259.16946	5.6
265.74197	0.7
267.21054	1.5
269.22717	1.3
273.18442	0.8
281.22562	0.8
285.18521	0.8
287.20114	2.9
299.20050	1.5
313.21564	1.3
322.22546	0.7
327.23166	0.9
349.28729	0.9
355.26196	1.1
365.31934	0.9
383.29095	0.8
391.33536	7.4
401.13263	0.7
407.33072	4.5
409.34570	7.0
410.34567	0.7
411.32376	5.2
435.32474	2.8
437.34067	25.7
438.34726	0.9
455.35123	2.0
619.38513	6.5
620.38757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11839	0.7
55.05505	5.1
57.07055	2.8
65.03923	2.1
67.05491	7.9
67.34084	0.7
69.07061	11.4
71.32526	1.4
79.05473	5.3
79.81892	0.7
81.07047	22.0
83.08604	8.5
91.05464	19.0
92.26497	0.7
93.07030	18.0
95.04960	1.2
95.08594	41.7
97.10129	1.9
105.07024	13.3
107.08580	26.5
109.10140	16.4
111.08091	0.7
115.05385	0.8
117.07000	1.6
119.04920	27.4
119.08562	18.2
121.10128	25.3
121.11020	1.0
123.04405	2.0
123.11678	8.5
129.06953	1.1
131.08553	6.1
133.10120	14.4
135.11679	19.2
137.13240	12.9
143.08540	3.7
145.10095	11.0
147.04387	100.0
147.11670	11.6
149.13239	20.4
151.14799	2.3
153.09090	0.8
157.10117	3.2
159.11665	8.3
160.12567	0.7
161.13234	6.8
163.11209	1.1
163.14801	5.3
165.05461	23.1
165.09187	0.8
169.10051	0.8
171.11725	4.9
173.13184	4.5
175.14793	7.8
177.16371	20.7
179.10892	0.9
179.17894	1.0
183.11652	1.0
185.13208	3.7
187.14781	9.0
189.16360	13.9
191.17911	4.6
197.13220	1.2
199.14821	3.4
201.16374	9.9
203.17926	29.8
205.15817	3.6
205.19502	1.5
207.17422	3.1
211.14850	1.5
213.16400	7.6
215.17957	6.6
217.19554	3.1
219.17468	1.3
227.17876	1.7
229.19446	1.4
233.15375	1.1
235.16867	0.9
239.17947	2.3
241.19484	7.2
243.21040	1.4
247.16820	1.0
249.18419	1.6
253.19450	2.2
255.21056	2.4
259.16907	6.7
267.21051	1.8
269.22583	0.9
285.18408	1.4
287.20068	2.8
299.20111	1.7
309.25638	1.2
313.21661	1.4
329.24670	0.7
341.24670	1.1
355.26260	1.3
365.32324	0.9
391.33569	6.1
409.34595	10.5
411.32642	6.4
437.34076	35.4
438.34354	1.1
455.35254	4.2
619.39716	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.4
53.03935	0.6
55.05498	3.6
57.07058	1.5
65.03926	1.4
65.81665	0.4
66.60602	0.4
67.05496	4.6
67.21440	0.4
69.07059	6.5
71.07121	0.8
71.07464	0.4
71.08614	0.6
74.84232	0.4
77.03936	0.4
79.05494	2.6
81.07047	11.4
82.85817	0.4
83.08612	7.4
83.56078	0.3
87.04461	0.9
91.05467	10.3
93.07034	8.6
95.04933	0.8
95.08597	20.4
97.10140	1.4
101.54546	0.4
105.07016	10.0
107.08579	17.0
109.06492	0.7
109.10146	9.3
110.95884	0.4
111.08098	0.5
111.11707	0.4
117.07001	1.3
119.04932	20.1
119.08568	22.2
121.10131	15.4
123.04392	0.5
123.11703	7.6
129.06950	0.9
131.08556	4.4
133.10117	15.2
135.11679	11.2
137.09589	0.5
137.13232	2.5
143.08524	2.0
145.10107	8.4
147.04393	100.0
147.11671	12.8
147.12900	0.5
148.04758	0.5
149.06111	0.4
149.13242	6.2
151.11168	0.5
151.14798	0.7
153.09117	0.9
157.10136	1.9
158.10899	1.4
159.10402	0.8
159.11665	8.7
160.12465	0.5
161.13242	8.2
163.11118	0.5
163.14822	6.5
165.05452	31.0
165.16333	0.7
167.10640	0.4
169.10178	0.5
171.11688	1.4
173.13243	5.2
174.14064	0.4
175.14804	12.1
177.09145	0.6
177.16367	11.7
179.10661	0.5
183.11659	0.6
185.13281	1.1
187.14769	4.8
189.16357	21.0
191.17899	5.0
193.12212	0.5
193.15901	0.7
197.13148	0.6
199.14775	2.5
201.16348	21.3
203.17940	27.6
205.15825	2.2
205.19547	0.6
207.17413	5.4
211.14803	0.7
213.16373	6.5
215.17935	17.5
217.19485	2.2
219.17432	0.9
221.15392	1.3
221.18983	0.7
225.16397	0.5
227.17899	1.6
229.19469	2.9
231.17349	0.7
233.15341	0.6
235.16840	2.7
239.17937	0.5
241.19508	3.4
243.21086	2.5
245.15259	0.5
247.16895	3.5
247.23949	0.4
249.18553	3.5
253.19476	1.3
255.20985	2.5
257.22461	0.4
259.16949	1.9
261.18448	6.1
267.21109	1.5
269.22632	1.3
287.19940	1.1
295.24124	0.6
299.19977	1.0
301.21463	0.6
303.79199	0.4
309.25479	0.7
313.21396	0.6
315.23233	1.1
329.24774	0.5
355.26282	0.9
365.31998	0.5
381.27863	0.5
383.29648	0.6
391.33551	7.8
394.28546	0.9
409.34647	12.4
411.32452	8.2
427.35391	0.8
437.34100	32.4
438.34064	0.6
449.57425	0.4
455.35275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3977
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
55.05489	3.6
55.30168	0.7
55.78249	0.7
57.07056	3.2
65.03953	1.2
67.05493	5.2
69.07056	9.0
77.03964	0.9
79.05479	3.4
81.07041	18.9
83.08613	5.9
83.67323	0.7
91.05468	13.1
93.07030	11.8
95.04975	1.0
95.08591	27.8
97.10136	1.8
105.07009	10.3
107.08579	19.7
109.10136	12.7
117.06985	1.3
119.04929	21.8
119.07777	1.1
119.08569	12.2
121.10120	20.7
123.11680	8.6
131.08566	4.0
133.10117	10.3
135.11667	17.3
137.13228	9.1
143.08502	1.9
145.10077	6.4
147.04385	100.0
147.11678	8.3
148.33694	0.8
149.13231	17.2
151.14799	2.5
154.83698	0.9
157.10127	2.6
159.11690	4.5
161.13229	5.7
163.14845	4.0
165.05452	35.1
171.11682	4.4
173.13213	3.9
175.14760	6.9
177.16341	17.1
183.11620	1.6
185.13232	2.6
187.14801	7.6
189.16356	12.1
191.17880	6.3
197.13271	1.7
199.14769	3.2
201.16344	9.9
203.17911	30.4
205.15781	1.5
205.19469	1.3
207.17337	1.7
211.14748	1.6
213.16397	6.2
214.79834	0.8
215.17863	5.5
217.19447	2.3
219.13760	1.1
219.17511	1.4
225.16339	1.5
227.17899	1.1
229.19540	1.3
233.15273	1.1
235.16876	1.1
239.17804	1.7
241.19460	6.8
243.20967	1.3
247.16946	1.2
249.18425	2.0
253.19475	1.8
255.20987	1.9
259.11023	1.0
259.16916	6.9
261.18524	1.8
267.20978	1.4
269.22559	1.1
273.18439	1.1
283.24365	1.1
285.18546	1.2
287.19998	3.3
299.19980	1.5
313.21613	1.8
365.31711	1.1
391.33521	8.6
409.34525	8.2
409.39417	1.2
411.32501	6.5
437.34055	32.2
455.35068	3.5
507.03021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01860	5.0
55.05506	46.4
57.07061	13.4
59.04987	3.5
65.03926	6.3
67.05494	34.6
69.03424	14.1
69.07062	23.4
69.96252	15.4
71.04974	11.6
71.08590	6.2
79.05484	35.1
81.07050	49.2
83.04975	22.7
83.08610	68.4
85.06524	9.0
87.04464	8.2
89.05998	12.9
90.06376	2.9
91.05461	51.9
93.07026	62.3
95.04955	33.8
95.08601	43.1
97.06516	20.6
98.20797	4.2
99.04429	5.4
103.05437	3.1
105.07016	100.0
107.04961	9.1
107.08582	66.7
109.06497	19.2
109.10144	33.6
111.08080	8.0
113.09634	8.7
115.05506	3.3
117.07019	19.3
119.04949	8.1
119.08568	85.2
120.09363	4.2
121.06477	12.3
121.10134	56.9
123.08026	22.4
123.11678	5.1
125.04247	2.8
125.09617	26.2
128.06178	14.4
129.07016	19.8
130.07780	6.5
131.08553	47.3
132.09346	7.4
133.06479	3.8
133.08569	5.2
133.10120	57.4
135.08063	15.6
135.11684	15.4
137.09586	8.4
139.11150	16.0
141.06963	9.5
142.07755	22.9
143.08543	51.4
144.09262	9.9
145.06468	8.0
145.10103	78.2
146.10463	4.1
147.04393	15.6
147.08034	15.4
147.11703	23.9
148.04758	6.0
149.09560	13.9
149.71555	3.2
151.07518	3.6
153.09221	4.0
154.07741	4.2
155.08542	22.5
155.10588	17.7
156.09323	20.3
157.10104	67.7
158.07220	3.0
158.10847	6.6
159.08061	13.6
159.11676	37.4
160.08821	12.2
161.09583	13.4
161.13229	9.8
163.11163	9.8
165.07022	7.5
166.07761	3.8
167.08488	9.4
167.10667	21.0
168.09311	10.0
169.10075	28.8
169.12190	4.3
170.10902	11.5
171.08095	3.4
171.10210	5.7
171.11661	40.2
173.09558	8.6
173.13248	19.1
175.11150	14.5
175.14835	7.3
177.16335	3.5
179.08546	13.4
179.14265	6.0
180.09254	5.9
181.10135	18.0
181.12151	18.1
182.10902	12.8
183.11664	25.6
184.12386	6.3
185.09581	5.1
185.13220	20.7
186.13950	4.8
187.11133	8.1
187.14804	10.6
189.12773	6.6
191.14246	10.7
192.09311	6.3
193.10103	12.6
194.10907	7.5
195.11664	25.2
195.13364	3.7
196.12439	9.6
197.09567	4.1
197.13226	36.0
198.14020	6.0
199.11176	5.8
199.14761	13.0
201.12627	4.7
201.16339	5.5
203.14294	6.2
206.10880	7.1
207.11687	16.8
207.13765	9.2
208.12436	10.9
208.14418	3.3
208.35892	3.2
209.13225	26.9
210.13943	5.2
211.11183	5.3
211.14845	19.7
213.12761	8.3
213.16345	9.8
215.14240	18.5
217.15808	3.7
218.16579	4.7
219.11636	7.4
220.12407	5.5
221.13223	12.6
221.15347	24.8
222.13971	3.6
222.15974	3.4
223.14862	16.6
225.12918	4.5
225.14551	16.9
225.16701	6.6
227.14340	6.1
231.13853	3.7
231.17444	4.2
233.13191	8.5
233.15324	50.3
234.13994	6.0
234.16168	3.5
235.14809	12.1
236.15445	3.1
237.16338	10.2
241.15865	5.6
245.13161	6.3
247.14714	5.9
247.16962	7.3
249.16351	4.9
251.17929	8.3
253.19450	3.7
255.17395	39.4
257.19077	4.5
259.14804	4.0
261.16431	7.0
263.18076	6.6
264.18643	4.1
265.19449	9.4
267.17358	3.7
268.18069	3.7
269.18942	9.6
270.19730	11.0
271.20502	4.8
273.18481	9.5
275.17801	7.0
281.18936	6.7
282.19830	6.2
283.20529	4.8
284.21301	3.9
285.18396	4.7
287.17603	4.2
289.19339	6.4
291.57480	3.5
295.20581	5.2
299.20007	6.6
302.51852	3.0
311.20099	4.2
329.22437	3.0
334.22787	5.6
335.23743	3.6
337.25125	9.7
341.22406	3.7
345.22318	4.2
347.23560	5.5
348.24286	3.2
349.25220	6.8
361.25281	5.6
365.24756	11.4
367.26422	6.8
383.25732	19.3
383.68649	3.1
399.26578	3.7
414.29263	5.7
429.31573	6.4
431.29874	3.7
567.38287	3.4
582.39777	4.6
600.40820	8.0
618.43396	30.4
619.36682	4.4
644.45612	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	618.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94994	0.9
53.03935	1.4
54.31971	0.7
55.01858	1.6
57.03420	0.8
65.03912	0.9
67.05491	0.9
69.03419	1.6
70.51722	1.3
70.52112	1.8
75.04452	1.5
78.04693	0.7
79.01842	1.9
79.05476	4.2
81.03382	1.7
85.02885	2.9
91.05483	4.6
93.03397	3.5
93.07018	2.0
95.04966	1.7
97.02873	1.4
99.72301	0.6
103.05429	3.4
105.03368	0.9
105.07017	16.8
106.04153	4.9
106.39982	0.7
107.04958	5.4
108.05705	0.8
109.02860	0.8
109.06489	1.4
115.05421	1.5
118.04166	3.7
119.04923	2.3
120.05747	0.8
121.06487	7.9
123.04385	1.6
123.08062	1.8
125.02306	1.7
125.05982	2.1
127.03845	1.4
131.04893	2.0
133.06479	16.8
134.03607	0.9
135.04405	2.1
135.08023	4.0
137.05957	6.8
143.03363	3.0
146.03598	0.8
147.04404	1.4
148.05092	1.1
149.05951	15.0
150.06732	9.5
151.07503	4.3
153.01814	38.9
153.09077	4.3
161.05972	5.5
163.03810	1.6
163.07520	4.8
165.09105	12.4
166.06180	0.8
167.07033	14.0
171.02866	0.9
177.05463	8.8
178.06218	1.2
179.07005	2.5
181.08560	6.2
191.06978	1.0
193.08578	60.7
194.08920	1.0
195.06564	1.0
195.10167	3.9
209.06012	1.7
209.08061	57.2
211.09622	100.0
212.10007	0.9
213.11165	2.9
287.14850	1.7
303.05035	1.1
315.13327	2.9
391.17444	2.0
403.17349	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.7
57.03424	1.4
65.03924	0.9
69.03411	1.2
70.97896	1.7
75.04469	0.9
79.01836	1.1
79.05483	5.2
81.03387	1.0
81.84631	0.7
85.02882	2.7
90.30672	0.7
91.05463	7.2
93.03392	3.7
93.07018	2.2
95.04935	2.4
97.02858	0.8
97.06493	1.4
103.04842	0.8
103.05454	5.5
105.07014	18.4
106.04163	6.8
107.04930	5.5
108.05717	1.1
109.06491	2.0
115.05437	1.5
117.94993	0.7
118.04150	5.8
119.04919	2.4
120.05719	1.2
121.05673	0.7
121.06496	9.8
122.07279	1.1
123.04395	0.7
123.08051	2.2
124.05159	1.0
125.02316	1.0
125.05968	3.0
127.03882	1.5
131.04898	1.8
132.05713	1.4
133.05460	1.0
133.06470	20.5
134.03642	0.9
134.07231	0.8
135.04385	2.0
135.08032	5.2
137.05946	6.5
139.07501	1.1
143.03403	2.2
146.03569	0.7
147.04337	1.0
148.05183	1.4
149.05952	17.7
150.06731	12.1
151.07535	5.2
153.00552	1.3
153.01808	23.4
153.02876	0.8
153.09091	4.2
154.02113	1.0
161.05963	5.3
163.03905	2.5
163.07492	4.5
165.05507	0.6
165.09085	15.4
167.07014	14.5
177.05453	10.1
178.06184	1.6
179.06920	3.4
181.08580	9.4
191.06955	1.8
193.08580	71.0
195.06453	1.3
195.10199	3.8
209.08060	61.5
210.08452	0.9
211.09621	100.0
212.09914	2.1
213.11224	1.4
242.83405	0.6
285.16833	0.7
304.05215	1.6
315.13422	1.3
345.18521	0.7
371.14835	0.8
391.17535	1.6
398.41409	0.7
403.17310	1.6
415.19101	0.7
451.91489	0.7
452.14252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
55.01852	3.7
55.05495	5.0
57.03410	2.6
59.04980	1.4
61.02919	1.5
65.03947	1.3
67.05487	8.5
69.03410	9.3
69.07063	9.4
71.04975	8.8
71.30440	1.2
71.62068	1.2
73.02889	1.4
74.05132	1.1
74.06137	1.2
75.04465	1.7
79.05479	10.3
81.03404	18.2
81.07044	19.9
82.07422	1.3
83.04971	16.8
83.08588	1.8
84.05297	1.6
84.41847	1.1
85.02884	9.2
85.06532	3.7
86.00719	1.0
87.04418	1.1
91.05454	8.4
93.06467	1.9
93.07030	28.5
95.04958	11.1
95.08598	14.8
97.02908	7.1
97.06517	19.7
99.04432	11.0
101.05997	8.7
105.07014	19.0
105.72951	1.1
107.04928	4.9
107.08575	18.1
108.04420	1.3
109.02869	22.2
109.06500	16.0
109.10133	3.0
111.04435	2.6
111.08058	10.8
113.05973	7.4
115.07528	1.4
117.06918	1.4
119.04906	1.3
119.08553	13.2
121.06482	39.1
121.10112	5.0
122.06826	1.4
123.08033	4.2
123.11680	4.1
125.05991	10.4
127.03899	26.8
127.07542	7.8
129.06941	2.3
131.04883	1.7
131.06995	3.8
131.08528	4.5
133.06461	3.7
133.10124	11.5
135.04410	3.0
135.08041	10.9
135.11679	1.2
137.05952	7.3
137.09595	2.3
139.07529	11.8
141.05418	1.4
142.07716	2.6
143.06995	11.5
143.08516	4.1
145.04982	2.2
145.06514	1.7
145.10100	6.5
147.07999	3.4
147.11668	34.1
148.12053	1.8
149.08029	2.0
149.13243	1.9
151.03888	2.6
151.07498	2.3
151.11180	2.8
153.01781	5.3
153.09106	2.2
156.09277	1.3
157.08574	6.1
157.10091	10.8
158.10553	1.3
159.06462	2.1
161.05945	3.1
161.09549	3.4
161.13226	6.3
163.07494	1.4
164.07069	2.9
165.05801	3.5
165.09041	1.5
165.12735	14.6
166.06171	1.6
167.07036	6.1
167.09172	2.2
169.12245	7.9
171.11658	9.3
173.09624	3.2
175.11156	22.1
179.07022	3.5
179.14232	1.4
181.08537	1.6
181.10062	3.4
183.06821	18.8
184.07158	4.7
184.08636	1.3
187.06087	8.0
189.12721	15.1
191.14429	1.3
193.08505	2.4
193.12213	23.0
199.11131	17.6
201.09030	1.3
205.07005	4.2
207.13770	8.5
209.11748	1.2
211.09711	1.5
211.13246	16.8
212.13725	1.3
215.10722	1.4
217.12199	47.8
217.14287	2.8
218.12593	2.1
229.14343	5.8
233.11589	1.6
235.13254	57.3
236.13638	1.5
249.85139	1.3
253.14311	100.0
254.14677	4.2
271.15366	29.6
272.15701	1.4
289.16492	8.3
295.15414	3.2
303.01062	1.3
303.04715	1.3
311.13184	2.0
313.16364	5.0
315.15619	1.1
331.17642	2.2
335.13300	7.9
337.16391	1.7
343.15375	3.7
361.16391	11.7
379.13028	1.7
379.17505	23.8
397.13559	2.0
397.18515	33.3
398.18802	2.2
415.19525	18.5
433.20618	6.3
545.26129	2.7
581.27246	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.05502	10.8
57.03426	4.5
57.07059	3.2
58.22424	1.9
67.05496	28.4
67.86270	1.7
69.07056	15.4
69.48574	2.1
70.83536	5.6
71.04984	2.0
71.08604	3.7
79.05475	9.2
81.07047	33.0
83.08619	8.0
91.05465	12.1
91.61570	1.7
93.07033	20.3
95.04943	2.9
95.08585	29.3
97.10183	3.5
99.08078	2.4
101.59422	1.6
105.07014	13.1
107.08569	15.4
109.10117	15.7
117.06997	3.4
119.08537	14.1
121.10126	14.9
123.08038	2.4
123.11702	4.5
131.08571	8.0
133.10120	10.9
135.11670	7.9
137.13205	2.4
143.08499	2.6
145.10124	9.3
147.11665	8.6
149.13266	6.6
159.11678	4.8
161.13222	5.0
163.14848	3.8
165.71822	1.9
171.11725	2.0
173.13274	5.8
175.14839	5.7
177.16293	2.3
187.14859	2.3
189.16402	2.5
199.14734	1.9
201.16325	2.1
243.21236	1.9
261.22147	8.6
283.77521	2.1
317.24756	2.2
320.85977	1.9
333.24237	2.0
335.25797	8.0
337.27383	10.2
339.29044	2.0
394.07507	2.1
523.45074	2.1
597.48773	11.8
615.49670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01870	2.5
55.05505	21.4
56.26996	1.6
56.95018	1.4
57.03431	16.9
57.07069	3.6
63.89810	1.4
64.81361	1.6
65.03931	2.2
67.05494	55.0
69.07057	23.3
71.04980	1.9
71.08623	3.1
71.09563	4.0
79.05481	23.0
81.03409	69.7
81.06569	3.3
81.07046	59.3
83.04965	6.5
83.08609	26.7
85.06521	2.3
89.05993	4.1
91.05468	24.5
93.07032	24.1
95.04944	24.1
95.08593	40.7
97.02911	2.6
97.06507	5.6
97.10152	7.5
99.08091	1.7
105.07014	19.7
107.04941	4.8
107.08568	12.0
109.06489	3.7
109.10141	16.6
111.08074	7.8
117.07055	2.1
117.72384	1.9
119.08561	17.4
121.06474	4.0
121.10132	12.0
123.08035	4.6
123.11697	5.4
125.09612	2.8
127.91669	1.7
129.06955	7.8
131.08589	8.7
133.06473	3.4
133.08597	4.1
133.10100	12.8
135.08073	3.1
135.11691	4.9
137.09518	2.5
137.13258	2.9
137.22141	1.6
142.07791	2.3
145.10133	5.4
147.08038	3.7
147.11690	10.1
149.09590	7.7
149.13197	2.1
157.10130	10.8
159.11693	2.4
161.13237	3.0
162.98997	1.7
163.11165	2.0
163.14769	1.7
165.12759	4.1
173.24452	1.6
175.11116	8.0
175.14825	3.0
193.12224	21.5
227.12756	1.8
231.13712	1.7
245.22591	3.2
249.14981	1.6
263.23792	4.9
267.15878	100.0
287.23346	1.7
303.26895	2.6
337.27338	87.1
338.27603	2.3
352.24063	1.9
415.25385	1.9
421.25665	1.6
437.33792	1.7
455.35260	5.9
473.36575	1.9
529.38800	71.9
530.38965	3.3
547.39941	33.8
561.41394	2.8
614.39740	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	614.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.3
55.05505	35.4
57.03429	20.0
57.07071	3.7
57.44231	3.4
65.03928	3.9
67.05493	92.3
68.73283	3.7
69.03426	5.5
69.07059	21.2
69.67145	12.9
69.67558	14.6
71.04975	11.0
71.08616	6.5
72.68915	3.8
79.05479	68.7
81.03410	67.6
81.06575	5.6
81.07046	100.0
83.04971	30.7
83.08607	26.2
85.02896	26.1
85.06541	4.7
86.92725	3.6
91.05463	68.3
93.07030	80.5
94.07365	3.5
95.04960	39.6
95.08598	47.8
97.02924	4.1
97.06512	15.0
97.10156	5.4
99.08099	9.9
105.07008	53.2
107.04936	12.2
107.08573	41.0
109.06518	11.3
109.10143	21.0
111.08054	18.7
113.05968	4.7
117.06996	11.8
119.08558	34.3
121.06442	4.3
121.10143	25.2
123.08083	7.4
123.11709	4.7
125.09686	5.6
129.06985	16.6
131.08553	31.4
133.06410	4.4
133.10101	33.0
135.08052	5.3
135.11668	14.7
137.09583	3.7
139.11189	4.6
142.41125	3.4
143.08524	6.1
145.10109	11.2
147.07986	4.4
147.11676	24.4
149.09619	10.0
149.13226	16.7
151.11185	9.6
157.10123	14.6
159.11693	12.6
161.13240	7.4
163.11166	3.6
165.12717	7.1
175.11220	9.1
179.14290	4.6
193.12233	52.1
195.13841	5.1
203.22037	3.4
211.13252	64.9
227.12778	4.3
227.19992	9.9
243.21111	9.0
261.22076	9.2
267.15860	21.1
269.17484	5.9
277.21732	6.4
277.66550	3.6
279.58340	3.9
285.16907	42.6
335.25742	34.0
337.27145	4.4
421.96393	3.9
453.33133	4.6
461.28833	5.9
479.29984	45.7
527.37146	14.3
545.38647	31.2
614.37079	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	614.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.4
55.01865	5.3
55.05503	34.3
57.03438	15.5
57.07063	6.1
63.21304	1.6
65.03921	4.7
67.05496	79.8
67.45417	1.5
69.03424	5.2
69.07059	28.0
70.06570	7.9
70.68535	6.0
71.04980	8.4
71.08621	19.2
79.05480	67.6
81.02917	2.1
81.03406	60.6
81.07045	82.1
82.07388	3.2
83.04966	24.5
83.08605	33.1
85.02896	29.4
85.06529	3.7
88.07611	4.3
91.04895	3.3
91.05465	66.6
92.05775	3.2
93.07029	69.2
93.07621	3.6
94.07347	2.1
95.04951	32.5
95.08596	40.8
97.02878	3.7
97.06520	14.4
97.10139	12.8
99.08080	16.7
103.05442	1.7
105.03379	7.6
105.04502	2.7
105.07016	45.7
105.17567	1.8
107.04939	11.9
107.08582	33.4
109.06508	9.9
109.10152	12.6
111.04436	3.2
111.08067	13.7
113.05969	2.5
113.09635	3.2
117.06980	16.5
119.08562	37.4
121.06534	5.1
121.10104	21.9
123.08038	4.8
123.11667	3.1
125.09593	9.8
129.06978	14.7
131.08557	28.9
132.10184	2.2
133.06461	3.2
133.10110	28.7
135.08060	4.7
135.11639	9.3
137.09618	4.0
142.07790	3.5
145.10065	9.4
146.11742	5.8
147.08072	3.3
147.11667	20.5
149.02316	10.5
149.05954	32.0
149.09576	8.2
149.13252	13.6
151.11165	24.9
157.10109	16.5
159.08165	1.9
159.11617	9.4
161.13254	7.4
163.11162	13.2
165.12706	5.0
167.94623	1.7
171.11682	2.1
175.11188	15.9
175.14856	2.2
177.12732	5.8
178.98067	1.8
179.14330	5.3
185.13254	2.9
189.11261	4.6
193.04985	5.0
193.12210	47.6
195.13789	6.1
199.14740	1.7
211.13252	70.2
227.12712	12.9
241.19435	3.2
256.26141	2.0
257.18884	1.8
259.20724	6.3
267.15881	25.6
269.17386	19.2
269.19717	1.9
277.21594	18.3
285.16922	55.3
286.17288	2.2
297.07489	5.1
300.28879	16.1
341.10150	31.2
351.25281	31.0
365.23224	2.7
381.14191	2.1
383.24176	5.0
443.27881	1.8
455.26453	3.5
461.28906	23.6
463.30591	2.9
479.29984	100.0
480.30316	2.8
481.30716	2.3
485.23862	2.1
496.32187	2.4
513.44525	2.2
543.36749	8.0
561.37689	26.6
579.38580	3.4
614.36737	60.3
615.35364	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	614.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.0
55.05293	0.8
55.05507	7.0
57.03421	2.7
57.07067	15.9
59.04978	2.5
61.02907	2.2
65.03891	0.8
67.05492	7.7
69.03424	6.6
69.07059	24.6
71.01313	1.0
71.04981	8.3
71.08624	10.7
71.62025	0.9
71.62391	1.4
73.02908	6.6
73.14395	0.7
79.05478	2.2
79.73662	0.6
81.03400	2.5
81.07047	24.5
83.08605	16.6
85.02892	15.8
85.06520	0.9
85.10179	6.1
91.05472	2.4
93.07014	2.1
95.04964	1.5
95.08593	28.4
97.02884	8.6
97.06495	1.4
97.10158	9.3
99.08075	3.2
99.11707	1.5
105.06991	2.7
106.13354	0.7
107.08554	2.5
107.71275	0.7
109.02859	2.6
109.06516	0.9
109.10139	23.9
111.11710	11.3
113.09625	1.3
113.13281	1.1
115.03905	2.8
119.08556	1.8
121.10126	1.9
123.11697	18.3
125.13247	5.4
127.03890	4.7
127.11175	2.2
131.08508	0.7
133.04924	2.9
133.10129	1.1
135.11671	1.2
137.05949	1.9
137.09663	0.7
137.13235	17.7
139.14793	2.8
141.12711	1.6
145.04941	3.0
145.10094	1.9
147.04373	0.9
147.11682	1.7
149.13266	0.9
151.14807	6.0
153.01845	1.0
153.16406	1.5
155.67049	0.7
163.11127	0.8
165.09090	1.4
165.16391	4.0
167.07008	7.0
168.07411	2.1
173.13173	0.7
177.09154	0.8
179.17958	3.6
181.04895	2.3
189.12662	0.9
191.06920	1.2
191.14082	0.7
193.08656	0.7
193.19473	3.3
199.16862	1.3
229.14217	1.4
249.25764	18.9
255.22980	1.0
259.08047	0.9
267.26788	100.0
268.27191	1.5
270.00751	0.6
270.89017	0.7
285.27847	18.2
286.82565	0.8
303.28894	1.4
387.14041	0.8
614.23145	2.6
614.33533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01862	2.3
55.05485	3.7
57.03419	1.7
60.36880	1.1
67.05485	6.0
69.03416	10.8
69.07054	8.9
69.07660	1.2
71.04973	4.7
71.08179	2.2
71.08517	2.3
74.10177	1.0
79.05485	12.7
81.03404	16.8
81.07047	26.6
83.04963	12.8
83.08602	2.5
85.02902	9.1
85.06535	3.4
91.05453	8.1
93.07030	31.2
95.04945	9.1
95.08594	14.5
95.87353	1.2
97.02864	6.2
97.06519	20.5
99.04434	14.1
101.05996	2.3
105.07010	18.7
107.04966	6.9
107.08581	20.0
109.02863	23.1
109.06501	19.2
109.10142	4.7
111.04411	3.0
111.08056	12.1
113.05985	2.5
115.07561	2.1
117.07044	2.3
119.04906	2.4
119.08562	13.4
121.06487	37.8
121.10110	6.4
123.04395	3.5
123.08010	4.0
123.11662	7.5
125.05960	10.7
127.03897	27.1
127.07520	8.8
129.06956	2.3
131.08565	5.2
133.06462	3.4
133.10101	14.4
135.04398	3.1
135.08029	12.7
136.07549	3.8
137.05936	4.2
137.09558	1.5
139.07501	11.6
141.05470	1.3
142.07768	2.4
143.07014	10.4
143.08557	5.6
145.04927	2.8
145.06490	1.4
145.10080	6.4
147.04413	1.4
147.08022	4.1
147.11658	39.2
149.09514	1.3
149.13277	3.3
151.11156	4.4
153.01855	1.9
153.09087	2.6
156.09367	1.6
157.06454	1.9
157.08592	5.1
157.10101	10.9
159.06500	2.2
159.07968	1.4
161.05966	2.7
161.09619	2.1
161.13214	9.1
163.11115	1.7
165.05431	2.4
165.12753	18.0
167.06985	12.8
169.12201	6.8
171.11641	12.1
173.09549	3.5
173.13214	1.2
175.07632	1.4
175.11162	23.7
181.04950	5.3
181.10126	2.8
182.08086	4.8
183.13794	2.1
184.08813	1.3
187.06020	8.6
189.05324	2.0
189.09048	1.4
189.12718	17.8
191.10648	1.2
193.08543	1.4
193.12216	27.0
194.24078	1.1
195.06351	1.7
199.11153	16.8
203.06895	1.4
205.06966	3.8
205.08701	2.0
207.13765	12.3
209.08098	1.5
209.15352	2.6
211.13281	18.3
217.12198	53.4
219.10126	1.5
225.14732	1.3
229.14328	4.4
233.07889	6.1
235.09521	3.0
235.13249	61.1
251.09074	2.4
251.12761	1.7
253.14310	100.0
254.14682	1.8
255.05934	1.2
257.13791	1.8
263.09192	2.2
271.15411	27.5
281.10223	1.4
289.16446	9.9
289.46722	1.3
295.15210	1.5
313.16550	5.8
319.15268	2.3
325.14352	1.6
331.17355	2.5
337.16309	1.9
343.15369	4.4
355.17496	1.5
361.16333	12.5
379.17416	21.3
397.18527	34.4
399.14203	1.9
415.19543	22.7
417.15530	7.9
433.20508	8.2
435.16415	2.7
477.42090	1.5
581.37439	1.2
583.47955	1.1
607.80945	1.4
614.28375	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4813
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03934	1.8
53.71286	0.6
55.05500	12.7
57.03427	3.9
57.07063	2.9
65.03920	1.5
67.05492	37.9
68.05834	0.7
69.07056	15.8
70.87354	1.8
71.08616	1.5
79.05476	18.1
81.07040	40.8
82.07368	0.8
82.93755	0.6
83.04946	1.0
83.08602	8.0
85.06514	1.8
89.05997	0.7
91.05460	15.6
93.07025	27.9
94.07372	0.7
95.04957	2.0
95.08588	33.8
97.06508	1.7
97.10145	3.4
99.08056	1.5
105.07012	16.9
107.08573	16.4
109.06494	1.3
109.10134	16.7
111.08058	1.2
117.06987	6.3
119.08558	14.8
121.10116	14.5
121.11002	0.8
123.08090	1.1
123.11697	6.7
125.09601	1.0
128.06210	0.7
129.06981	1.8
131.08528	12.2
133.10095	13.9
135.11664	10.2
137.06015	1.1
137.09631	1.0
137.13226	3.0
142.07713	1.0
143.08521	4.3
145.10089	11.3
147.11661	11.3
149.09674	0.8
149.13249	6.0
151.11111	1.1
151.14821	0.6
155.08543	0.9
157.10114	3.6
159.11665	11.5
161.13242	6.2
163.11189	0.7
163.14783	2.9
169.10124	1.1
171.11644	4.7
173.13217	7.0
175.14801	3.6
177.16382	2.0
177.26093	0.6
179.14302	2.5
183.11694	1.4
185.04079	0.6
185.13219	4.4
187.14769	4.8
189.16374	1.7
191.17856	0.8
195.11615	1.0
197.13283	0.8
199.14784	3.0
201.16376	2.2
203.17967	1.9
211.14848	1.2
213.16389	1.8
215.17984	1.3
217.15599	0.7
217.19522	1.1
224.53966	0.7
227.18024	1.3
231.17516	0.7
231.21039	0.7
233.18959	0.9
239.18008	0.7
241.19507	2.6
243.21097	2.4
259.20459	5.4
259.90356	0.8
261.22058	6.7
273.22116	1.1
277.21567	2.5
285.22174	0.6
299.23663	0.9
301.25247	1.0
309.24158	0.8
313.25128	0.8
315.23227	0.7
317.24982	1.1
327.27078	0.9
333.24271	4.5
335.25745	11.9
337.27240	6.9
347.25882	0.8
367.30490	0.9
387.28864	0.7
388.42752	0.7
489.36090	1.1
503.36783	1.4
521.43427	3.7
529.39093	0.9
539.44562	1.8
543.40411	1.3
595.47223	9.3
613.48120	100.0
614.48541	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	613.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01864	8.6
55.05501	14.3
57.03419	3.7
57.07060	4.8
59.04979	3.5
65.03926	6.6
65.76238	2.1
67.05491	29.9
69.03418	18.4
69.07063	23.7
71.04984	12.2
71.62476	2.7
77.03913	2.9
77.53683	1.9
79.05472	26.8
81.03403	30.1
81.07043	52.4
83.04960	9.9
83.08603	7.8
85.02877	13.7
85.06538	16.3
91.05447	20.3
93.07025	54.4
95.04954	19.0
95.08593	65.2
97.02888	10.2
97.06499	15.0
97.10133	3.2
99.04443	16.2
99.08076	4.4
101.06047	3.1
103.05441	9.1
105.06284	3.0
105.07012	49.1
106.04169	2.3
107.04935	11.7
107.08580	69.1
109.02872	30.7
109.06482	18.9
109.10139	25.1
111.04440	4.9
111.08067	11.5
111.11720	3.2
113.05978	10.4
115.05461	5.7
117.06989	11.3
119.04936	6.0
119.08555	33.5
121.06495	20.8
121.10121	51.9
122.10452	3.1
123.04411	11.5
123.08041	34.1
123.11693	9.4
124.05202	2.7
125.09595	4.8
127.03893	33.2
127.07513	2.7
129.06937	4.0
131.04903	6.3
131.08522	11.2
131.09386	1.9
133.06459	8.7
133.10129	14.5
135.04352	2.7
135.08055	15.2
135.11655	28.3
137.05949	44.4
137.09587	31.6
137.13232	2.9
139.07477	3.2
139.11177	4.4
143.08562	4.0
144.05687	2.9
145.06462	15.1
145.10110	37.6
147.04407	7.2
147.08054	7.7
147.11665	17.4
149.05949	6.3
149.09595	60.3
149.13205	6.2
151.03889	9.6
151.07532	11.8
151.11154	4.1
151.14813	2.2
153.01762	12.9
153.05449	4.4
155.05966	3.4
155.07103	2.3
155.08490	2.7
156.09346	2.7
157.10132	6.3
159.04364	2.1
159.07925	3.9
159.11685	7.1
161.05943	7.5
161.09595	6.6
161.13205	14.8
163.03874	2.4
163.07553	3.9
163.11153	92.1
163.27184	2.2
165.05453	3.7
165.09082	8.6
165.12706	5.6
167.07018	87.1
167.10641	23.8
168.07413	3.8
169.08580	45.0
169.09914	2.2
169.45461	1.9
171.11641	7.7
173.05971	16.1
173.09586	8.6
173.13295	3.1
174.10332	4.2
175.07538	5.6
175.11198	4.8
177.05443	7.6
177.09157	2.0
179.06987	3.5
179.14336	2.7
181.04941	33.8
181.08582	3.9
181.12216	21.1
185.11726	5.8
189.09105	2.8
189.12704	30.6
191.06966	13.3
191.10648	44.2
191.14265	4.4
193.08507	3.5
193.12263	3.6
195.06496	2.5
203.06931	3.2
205.08592	7.1
205.12286	2.3
207.06378	2.5
207.13768	100.0
209.08115	4.5
209.11697	42.6
213.09071	2.4
217.08505	3.7
225.14812	5.4
227.12744	95.1
228.13130	3.8
233.08031	5.7
235.09566	6.1
245.13852	4.6
249.14941	2.7
255.17415	3.3
269.13760	11.8
273.18604	2.3
277.10739	3.7
283.25955	3.3
288.04828	2.3
289.14145	4.4
293.13983	2.6
297.11084	2.6
299.12646	3.8
301.21637	3.2
317.13904	3.6
335.14795	6.5
337.10709	2.2
338.11887	2.2
353.15894	36.5
357.13290	4.4
367.11508	2.3
371.17065	22.0
385.12711	12.4
387.14328	15.4
397.31018	5.8
415.32217	11.4
417.15228	11.4
433.33087	5.6
595.21283	3.8
613.22461	31.6
613.31885	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	613.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01865	4.7
55.05503	5.2
57.03422	2.2
57.07057	2.4
59.04994	2.8
65.03913	2.4
67.05496	10.6
69.03421	8.7
69.07064	8.6
69.07433	1.2
69.65504	7.5
71.04984	4.4
73.02906	1.7
74.53978	0.9
74.54692	0.8
78.04717	1.1
79.05476	8.1
81.03410	13.5
81.07043	19.0
83.04962	2.9
83.08614	1.8
85.02894	5.0
85.06535	6.9
91.05463	9.1
93.07029	20.3
95.04943	6.7
95.08599	27.7
97.02872	3.5
97.06527	6.9
97.10171	1.3
98.21407	2.1
99.04456	7.7
99.59953	0.9
103.05437	2.4
105.07021	21.2
107.04936	4.0
107.08580	26.5
108.08876	1.0
109.02859	15.2
109.06507	9.5
109.10154	7.4
111.04453	2.2
111.08068	4.0
113.06007	3.4
115.05434	3.0
117.06989	5.8
119.04940	3.3
119.08557	13.5
121.06482	10.5
121.10121	22.8
123.04456	5.3
123.08051	16.3
123.11676	4.6
124.05215	2.1
125.05947	2.2
125.09586	2.1
127.03902	14.1
127.07538	1.6
129.06978	1.0
131.04907	1.7
131.08578	5.0
133.06458	3.0
133.10083	4.6
135.08052	5.8
135.11668	9.2
137.05968	11.0
137.09579	5.2
137.13214	2.0
139.07565	1.7
139.11209	2.2
143.04919	1.1
143.08554	3.3
145.06462	5.2
145.10101	15.5
147.04384	4.1
147.08032	4.3
147.11665	9.1
149.05994	1.9
149.09601	64.1
150.09952	1.2
151.03894	3.0
151.07516	7.3
151.11156	1.2
151.14766	1.3
152.04634	2.2
153.01848	3.5
153.05513	2.3
155.06030	1.9
156.09340	2.0
157.10081	1.2
159.08044	2.1
159.11653	2.2
161.05949	3.3
161.09622	2.8
161.13287	7.0
163.07487	2.7
163.11159	37.4
165.05486	1.1
165.09102	3.0
165.12726	5.1
167.07014	58.0
167.10657	10.3
168.07399	2.9
169.04974	1.1
169.08585	15.9
171.06522	1.0
171.11685	4.2
173.05962	13.5
173.09602	2.4
174.10364	3.2
175.07576	1.3
177.05400	1.7
177.09096	2.1
178.32057	0.9
179.07034	3.0
179.14351	1.5
181.04921	16.7
181.06505	1.3
181.12210	9.0
185.11699	1.6
187.07512	1.2
187.11151	1.4
189.12718	26.4
191.07027	3.6
191.10638	19.5
191.14328	1.7
193.08649	1.1
203.06985	1.4
205.08539	3.3
207.06577	1.6
207.13771	100.0
209.08043	1.7
209.11703	17.4
217.08716	1.2
220.21806	1.0
227.12747	41.2
228.13148	1.7
233.08162	2.0
235.09663	2.6
245.13695	1.5
269.13846	3.9
283.26254	1.5
289.14261	2.6
299.12704	1.8
303.04987	1.1
307.49762	1.1
317.13715	1.5
333.16776	1.3
335.14883	3.5
342.89197	1.1
353.15884	15.4
357.13425	1.9
367.42169	1.1
371.17020	8.2
385.12704	8.5
386.12802	0.9
387.14389	4.4
417.15326	5.1
418.15598	1.1
471.98117	1.0
583.21381	1.3
584.29431	1.0
613.12842	1.7
613.22711	24.5
613.34265	1.1
614.22375	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59755	1.2
53.03936	4.8
55.01868	5.3
55.05505	5.0
57.03418	2.3
59.04982	5.2
67.05489	10.4
67.52393	1.4
69.03426	7.6
69.07056	8.2
70.94909	1.5
71.04980	7.8
71.82440	1.6
79.05482	12.2
81.03403	23.7
81.07046	25.3
83.04972	3.6
83.08627	1.6
85.02905	4.8
85.06538	6.9
90.67986	1.3
91.05466	9.7
93.07037	32.6
95.04967	7.1
95.08587	12.1
97.02882	2.2
97.06514	9.4
98.20706	3.9
99.04454	13.0
101.05997	3.2
101.35485	1.2
103.05437	1.7
105.07013	34.1
107.04958	4.7
107.08582	55.8
109.02863	31.0
109.06515	15.5
109.10150	6.8
111.04409	2.7
111.08082	7.8
113.05975	3.5
115.05460	2.6
117.06998	4.9
119.04889	2.0
119.08558	18.5
121.06504	15.4
121.10125	33.6
123.04369	1.9
123.08054	19.3
124.05255	1.6
125.09659	1.2
127.03903	30.3
127.07533	3.5
130.07771	1.5
131.08597	3.7
133.06480	3.1
133.10100	3.9
135.08046	15.0
135.11668	20.0
137.05956	5.9
137.09607	36.0
139.07576	2.1
139.11185	3.3
141.18124	1.5
143.08537	2.9
145.06468	5.3
145.10110	28.7
147.04402	2.6
147.08022	2.7
147.11665	11.6
149.05965	3.2
149.09604	15.1
151.07504	6.1
153.09077	4.7
157.10164	1.5
159.11655	2.2
161.05969	2.0
161.09651	2.0
161.13264	8.2
163.11162	73.8
167.07014	41.0
167.10666	24.3
169.08582	37.0
173.05998	5.1
173.09583	5.0
177.12724	1.7
179.06900	1.8
181.04947	15.7
181.12216	19.5
185.11751	4.6
189.09019	2.2
189.12639	8.4
191.06958	2.0
191.10649	49.0
205.08647	2.7
207.06415	1.5
207.13733	9.3
209.09723	2.9
209.11707	47.2
210.12167	2.1
217.12325	1.5
225.14841	2.1
227.12756	100.0
228.13177	3.3
233.07933	1.7
235.09589	2.3
245.13847	4.0
250.43619	1.5
262.34589	1.2
269.13806	12.1
271.13315	3.3
289.14297	6.2
299.12744	2.5
317.13782	5.9
335.14859	7.3
353.15912	46.1
369.41318	1.6
371.16986	29.4
385.12747	5.2
387.14438	3.6
389.17816	3.2
417.15280	4.4
613.22681	19.1
614.22620	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	613.2271
Annotation	PROTOCHLOROPHYLLIDE
Peak:m/z	Relative Intensity
51.02359	0.3
51.19551	0.3
52.33446	0.3
53.03938	0.6
55.01846	0.7
55.05498	0.6
57.03419	0.3
57.07054	0.5
65.03929	2.6
67.05487	1.5
69.03411	1.2
69.07047	1.2
69.77841	0.6
69.78247	1.9
71.04958	0.4
73.02908	0.3
78.04711	2.5
79.05485	2.5
81.03389	1.0
81.07030	2.2
82.04176	0.5
83.08590	0.5
85.02894	2.2
85.06516	0.9
91.05468	4.7
93.03410	0.6
93.07014	1.3
94.04168	0.3
95.04970	1.7
95.08591	1.8
97.02895	0.8
97.06515	0.9
97.10112	0.4
103.05480	2.3
105.07019	1.3
106.04142	1.4
107.04955	2.8
107.08557	0.8
108.02060	0.3
109.02821	0.6
109.06503	0.6
109.10137	1.4
110.03634	1.3
111.04420	1.5
111.08060	0.4
111.11667	0.4
115.05441	4.6
117.06200	0.6
117.07002	8.2
119.04922	4.7
119.08557	0.6
121.02823	1.0
121.06480	0.9
121.10125	1.3
122.03620	1.0
123.04419	7.1
123.08004	0.4
123.11687	0.8
124.05197	2.9
125.05943	1.3
127.03956	0.5
127.05413	1.0
131.04901	1.1
131.08528	0.6
133.02873	0.5
133.06479	1.0
134.03581	0.4
135.04414	0.5
135.11696	0.4
137.05956	7.9
138.03123	0.7
139.03877	0.5
142.02597	0.8
143.04883	1.1
144.05707	0.5
145.06471	15.6
145.10081	0.5
147.04382	6.5
147.08011	1.2
147.27824	0.3
148.04890	0.5
149.05949	0.9
151.03894	2.7
151.07494	1.6
152.04660	2.5
153.01814	0.5
153.05443	2.7
155.04910	0.5
155.06004	4.3
155.07112	0.5
159.04396	0.5
161.05972	1.1
163.07556	0.5
163.11098	0.4
165.05467	1.0
167.07019	100.0
168.04239	0.4
168.07358	1.3
171.06516	1.9
172.05235	0.4
173.05968	25.4
174.06596	0.5
175.07506	1.3
177.05493	0.6
179.07063	1.7
181.04938	36.8
187.07457	0.4
189.05525	0.3
190.06252	0.4
191.07033	1.2
191.17859	0.7
193.08386	0.4
194.68242	0.3
201.05431	0.7
203.06984	1.6
203.14207	0.3
205.08592	5.6
209.08119	0.5
209.18904	0.5
217.08540	0.6
219.06436	0.8
221.06108	0.4
221.07993	0.7
227.19984	0.8
231.06488	0.8
233.08092	4.9
235.07501	0.4
235.09604	4.7
248.08125	0.3
252.07867	0.4
263.06924	0.6
265.08685	0.5
265.25217	0.5
267.10178	0.4
283.26352	1.5
293.08112	0.7
294.08710	0.4
297.11380	0.4
299.09198	0.5
309.07581	0.3
310.08344	0.7
312.09705	0.5
325.10654	0.9
327.12161	0.5
337.10611	0.6
339.12463	0.5
341.10269	0.4
355.11844	0.8
357.13239	3.3
369.13324	0.4
385.12756	17.8
386.13513	0.6
387.14337	6.8
411.14349	0.4
415.13904	0.5
416.14651	0.6
417.15387	13.4
418.15903	0.4
434.15308	0.4
474.12924	0.3
583.21631	3.7
613.22705	59.5
614.23163	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01846	1.0
55.05497	0.5
65.03934	2.4
66.04694	0.3
67.05495	1.5
69.03398	0.8
69.07037	1.0
70.05277	0.9
70.05708	0.6
71.04975	0.3
78.04700	2.4
79.05092	0.3
79.05485	2.1
81.03394	1.4
81.07056	1.8
82.04168	0.5
83.04949	0.4
83.08584	0.4
85.02874	1.5
85.06499	0.4
90.87144	0.3
91.04960	0.4
91.05467	5.4
91.48273	0.2
93.03377	1.0
93.07032	1.2
94.04159	0.3
95.04963	2.2
95.08594	1.2
97.02859	0.9
97.06538	1.4
97.07043	0.3
97.10135	0.4
98.20755	0.2
102.15257	0.3
103.05450	2.2
105.03373	0.3
105.06997	1.7
106.04162	1.4
107.04929	2.9
107.08552	1.0
108.02036	0.3
109.02849	0.6
109.06476	0.7
109.10117	1.1
110.03630	0.8
111.04446	1.2
111.08038	0.4
115.03989	0.3
115.05439	5.0
116.61398	0.3
117.06199	0.5
117.06999	7.4
118.07362	0.2
119.04926	4.0
119.08536	0.7
121.06483	0.7
121.10136	1.0
122.03622	0.8
123.04424	7.3
123.11666	0.4
124.05207	2.5
125.05973	1.6
127.03891	0.5
127.05388	1.0
128.06155	0.3
129.06963	0.4
130.04037	0.4
131.04887	0.9
132.05676	0.3
133.02902	0.5
133.06470	0.8
133.10117	0.6
134.03583	0.3
135.04350	0.7
135.08011	0.3
135.11699	0.5
137.02286	0.3
137.05965	6.5
137.09557	0.4
138.03094	0.5
139.07487	0.4
142.02563	0.9
143.04904	0.7
144.05698	0.4
145.06459	14.5
145.10115	0.7
147.04385	4.6
147.07979	0.8
147.11655	0.7
148.04829	0.3
149.05948	0.6
149.09608	0.4
151.03899	2.4
151.05000	0.4
151.07523	1.4
152.04640	2.0
153.01797	0.7
153.05408	2.1
155.04834	0.6
155.05992	3.8
155.07109	0.5
160.05154	0.3
161.05940	1.1
163.03897	0.4
163.07500	0.6
163.11133	0.6
163.14851	0.3
165.05446	0.7
166.88170	0.2
167.07013	100.0
168.07321	2.3
171.04308	0.3
171.06509	1.9
173.05956	22.2
174.06392	0.3
175.07481	1.1
177.05566	0.5
177.09045	0.3
179.07018	1.7
181.04929	33.7
182.05269	0.4
187.07584	0.3
190.06213	0.6
191.07016	1.4
191.10632	0.4
193.08589	0.6
195.06447	0.5
197.08038	0.3
199.10892	0.3
201.05437	1.0
203.06973	1.2
205.08578	5.9
207.06454	0.6
207.10156	0.6
207.13837	0.3
209.08051	0.5
217.08514	0.3
219.06364	0.5
219.08253	0.4
220.07224	0.5
221.08009	0.5
227.12697	0.5
231.06522	1.0
233.05789	0.5
233.08044	5.1
235.07484	0.2
235.09593	4.5
235.13156	0.3
237.09001	0.3
248.08075	0.3
250.06136	0.3
251.06970	0.3
265.08499	0.7
267.06488	0.4
279.06580	0.2
283.26291	0.5
287.05362	0.5
293.08020	0.8
294.08630	0.3
295.09863	0.3
297.11111	0.4
301.27484	0.3
307.09482	0.3
309.07510	0.4
310.08420	0.5
311.09305	0.3
323.08704	0.3
325.10693	0.7
326.11447	0.3
327.11987	0.3
339.08475	0.4
345.13217	0.4
353.10037	0.3
353.15762	0.4
355.11530	0.7
357.13248	3.2
367.11694	0.5
371.16205	0.3
381.13318	0.4
385.12726	17.5
386.13245	1.0
387.14297	5.3
397.12769	0.4
399.14828	0.3
411.14182	0.4
415.13544	0.3
417.15366	10.1
505.49387	0.3
583.21692	3.5
595.21704	0.4
613.22675	56.7
614.22858	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
53.55417	2.8
55.05507	26.7
56.33541	3.3
57.03430	19.5
65.03912	5.1
67.05495	57.5
69.07060	12.7
71.80976	4.1
79.05476	43.2
81.03405	65.8
81.07043	64.2
83.04965	7.7
83.08601	26.3
91.05453	36.1
93.07028	49.7
95.04960	29.8
95.08594	52.2
97.06553	5.1
97.10161	5.9
98.20744	10.0
99.08054	3.6
102.38827	2.8
105.07014	29.5
107.04930	6.7
107.08572	29.4
109.06509	4.5
109.10133	19.3
111.08058	3.8
113.09691	3.6
117.07014	7.2
119.04923	4.1
119.08570	24.9
121.06532	5.2
121.10115	28.2
123.08050	4.2
123.11662	8.4
125.09574	5.0
129.06987	8.5
131.08565	17.3
133.10136	22.2
135.11678	13.3
142.07768	4.0
143.08623	3.3
145.10126	11.8
147.07959	3.5
147.11632	15.3
149.13281	5.6
157.10153	12.2
159.11717	7.7
161.13292	7.8
163.11182	4.2
163.14803	5.4
171.11658	6.8
173.13266	8.7
175.11185	7.7
187.14764	4.1
189.11258	3.9
193.12239	18.2
211.13295	3.9
212.96294	2.9
214.78682	3.6
227.12654	3.3
229.94394	3.6
243.21217	3.6
256.92181	3.8
261.22250	16.1
267.15875	100.0
301.25302	4.7
333.24194	4.5
335.25781	83.0
336.26117	5.7
435.32791	4.6
453.33606	7.4
499.75406	3.1
527.37238	50.9
545.38287	31.6
565.91034	5.4
612.47382	32.1
612.57062	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	612.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.7
55.01862	10.6
55.05503	39.0
57.03431	26.4
57.07058	4.4
60.62371	1.7
60.70241	2.1
61.11679	1.8
65.03927	7.8
67.05495	85.8
69.03430	10.1
69.07056	37.5
69.35082	19.7
71.04987	8.6
72.16522	2.2
79.05481	81.6
79.05949	4.0
80.45860	2.0
81.03406	76.5
81.07045	100.0
83.04971	29.1
83.08605	35.7
85.02895	30.1
85.03360	3.4
85.06535	7.8
91.05469	84.7
93.07027	79.6
95.04951	45.8
95.08592	39.4
97.02863	3.2
97.06512	22.5
97.10146	12.8
98.20688	3.7
99.08073	4.7
102.81190	2.2
105.07014	70.9
107.04941	18.8
107.08576	39.0
109.06494	12.7
109.10126	12.8
111.04465	2.4
111.08066	15.0
115.05445	4.6
117.06985	21.7
119.04892	2.3
119.08558	48.0
121.06493	6.5
121.10122	28.2
123.08034	7.9
123.11658	7.1
125.06020	2.3
125.09605	7.4
129.06984	19.5
130.07773	3.1
131.08556	34.6
133.10118	42.2
135.08040	5.2
135.11667	13.2
137.09599	6.1
142.07764	4.5
143.08539	5.5
145.10088	18.2
147.08040	5.5
147.11678	32.6
149.09586	26.3
149.13243	11.2
151.11212	4.6
157.10112	19.6
159.11653	16.1
161.13220	3.1
163.11165	11.9
165.12767	5.5
169.10176	3.2
171.11688	3.5
173.13243	5.2
175.11160	18.2
177.12735	5.8
179.14236	3.9
181.12061	2.5
183.11754	3.2
185.13254	2.5
189.11177	4.1
193.12219	57.0
195.13773	7.5
201.12650	2.1
211.13251	90.7
227.12779	11.6
239.17998	4.5
255.15863	13.9
257.18954	12.5
267.15863	29.9
269.17426	26.9
270.17957	2.6
275.20035	36.3
285.16934	72.3
286.17517	3.0
293.21057	4.0
349.23734	33.6
367.24692	5.4
447.27277	9.4
449.30576	2.6
455.26242	4.4
461.28741	17.5
463.30093	2.9
465.28592	17.9
479.29965	82.1
480.30151	4.3
496.32346	2.9
516.59705	2.5
541.35229	10.2
559.36316	25.9
577.37128	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	612.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.1
55.01852	9.7
55.05254	2.8
55.05500	31.2
57.03218	1.9
57.03431	20.6
57.07069	4.0
65.03924	4.4
67.05495	76.3
67.16164	2.0
69.03416	8.7
69.07059	37.6
69.49287	2.9
69.49701	18.0
71.04967	9.4
79.05482	69.3
81.03403	64.7
81.07044	100.0
82.07388	2.7
83.04969	24.5
83.08608	36.6
85.02901	24.5
85.06506	4.3
91.05468	69.0
92.63600	2.1
93.06457	4.4
93.07035	67.7
93.48708	2.3
95.04953	34.2
95.08601	37.6
97.02887	3.2
97.06517	17.0
97.10146	7.2
99.08057	4.1
105.07011	55.0
107.04948	10.6
107.08575	37.9
109.06507	11.0
109.10149	16.7
111.04454	3.7
111.08084	12.3
113.06010	4.4
115.05442	4.3
117.06991	12.9
118.03883	2.3
119.07795	2.7
119.08575	40.2
121.06468	5.3
121.10130	24.5
123.08052	7.1
123.11706	4.3
125.09592	4.0
129.07008	17.0
131.08568	27.7
133.06503	4.9
133.10112	37.1
135.08067	6.9
135.11670	14.7
137.09589	4.2
142.07761	4.6
143.08495	2.9
145.10121	14.4
145.11082	2.8
147.08018	5.5
147.11676	23.0
149.09589	16.4
149.13225	11.6
151.11105	3.2
153.09114	2.3
155.08533	3.3
157.10110	16.5
159.11671	10.9
161.13167	4.5
163.11151	8.3
165.12759	5.5
171.11752	3.1
173.13216	6.3
175.11151	19.1
177.12741	4.7
189.16216	2.4
193.12224	55.7
195.13795	9.0
211.13255	78.2
227.12740	4.5
255.15916	16.9
257.18970	8.4
267.15903	29.6
269.17468	34.4
275.20044	28.2
285.16934	75.7
293.20816	2.6
333.10614	2.5
349.23657	21.7
367.24832	5.5
387.24460	2.3
443.28149	2.6
447.27383	8.8
449.29309	2.3
461.28781	26.2
463.30414	2.8
465.28323	24.7
479.29996	83.1
541.34912	6.4
559.36255	14.8
577.36938	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	612.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.1
55.01867	8.4
55.05502	48.9
55.81335	1.6
57.03420	11.6
57.07064	2.0
59.50693	1.3
65.03925	2.2
65.44263	1.8
67.05495	46.5
68.05819	2.5
69.03411	7.4
69.07060	17.4
69.61581	12.7
71.04996	7.8
79.05479	53.2
81.03403	50.6
81.07044	42.6
83.04969	18.6
83.08134	2.3
83.08604	32.9
85.02895	14.8
85.06520	3.0
91.05463	46.3
91.06004	3.0
93.07033	34.4
93.92967	1.4
94.07340	1.7
95.04955	23.4
95.08581	17.6
96.08896	1.6
97.02880	3.8
97.06539	8.7
97.10155	53.6
97.45428	1.7
99.08079	1.5
103.05479	2.3
105.07011	35.3
106.07286	1.6
107.04928	8.6
107.08578	54.2
109.02882	1.9
109.06489	8.0
109.10124	14.0
111.04456	2.1
111.08064	9.8
113.05962	1.6
115.05473	2.0
117.06973	8.6
119.08552	25.5
121.10112	12.1
123.08081	1.9
123.11666	3.6
125.09615	43.6
129.06982	11.6
131.08562	14.4
133.06554	3.2
133.10114	24.7
135.04399	1.3
135.08012	6.0
135.11687	5.3
137.09595	3.4
141.07030	1.6
142.07759	3.4
143.08537	2.2
145.10106	10.6
147.08064	3.4
147.11668	20.0
149.09578	12.6
149.13234	2.1
150.11792	1.3
153.09068	3.5
157.10100	12.1
159.11653	4.5
161.13275	3.5
163.11145	6.3
165.12675	2.2
169.10101	2.0
171.10056	2.6
171.11566	2.4
173.11688	1.4
175.11128	10.1
183.11632	1.5
188.03941	1.4
189.11172	24.2
189.12714	2.4
193.12206	42.8
211.13263	64.3
227.12740	100.0
228.13123	2.9
245.13760	4.3
257.19046	7.0
267.15863	17.0
275.20023	34.3
284.15872	1.8
285.16895	37.9
331.22635	3.4
349.23648	41.4
357.06290	1.6
416.65295	1.5
424.84973	2.0
437.25510	10.9
455.26297	22.4
541.35339	15.8
559.36224	41.5
577.36835	5.2
612.30029	2.5
613.33154	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	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01870	1.8
55.05255	1.4
55.05508	19.2
57.03434	5.6
57.07063	4.3
59.24667	0.9
65.03924	2.3
67.05497	43.8
69.03428	1.7
69.07058	15.7
70.06631	2.0
70.07049	3.8
71.04987	3.1
71.08627	1.5
74.03326	1.0
75.04459	1.0
79.05051	1.9
79.05487	30.8
81.03409	1.7
81.07046	39.2
83.04978	2.1
83.08606	8.4
85.06525	1.7
89.06062	1.1
91.05466	31.6
92.05800	1.2
93.07034	35.3
95.04958	5.2
95.08597	34.2
96.08917	1.5
97.06499	2.8
97.10175	1.9
98.20842	2.1
98.21390	1.3
99.08070	2.0
103.05488	1.5
105.07020	31.7
106.07368	0.9
107.04955	1.4
107.08584	20.5
109.06524	1.8
109.10148	11.6
111.08105	1.4
111.11730	1.4
115.05489	2.0
117.07014	13.2
118.07421	1.1
119.08562	26.8
120.08918	1.3
121.10130	13.3
123.08063	2.1
123.11704	3.9
125.09611	1.2
128.06216	3.2
129.06972	10.7
131.08554	20.2
133.10120	19.8
135.08064	1.4
135.11702	8.4
141.07016	3.1
142.07724	1.5
143.08528	13.2
144.08905	1.0
145.10118	20.0
147.11673	16.3
149.09668	1.3
149.13251	4.4
151.14961	1.2
155.08563	5.8
156.09416	1.2
157.10109	12.2
159.11687	15.3
161.13234	9.1
163.14760	2.3
167.08505	1.6
169.10057	8.2
170.10574	1.3
171.11653	9.6
173.13223	11.7
175.14809	4.6
181.10143	4.0
183.11691	5.8
185.13264	5.9
187.14763	5.3
189.12767	1.0
189.16365	1.8
195.11697	2.3
197.13165	5.2
199.14838	5.4
200.15588	0.9
201.16411	2.5
209.13336	1.4
211.14803	3.3
213.16417	2.9
215.17865	1.4
223.14864	1.6
225.16302	1.9
227.17911	1.5
231.21060	2.0
239.18025	2.3
241.19502	6.8
257.19043	2.6
259.20566	14.9
261.21970	2.4
275.20172	1.1
333.24142	7.2
335.25708	13.6
337.27454	1.3
489.35883	1.3
519.42023	4.7
537.42987	3.4
541.38324	1.9
593.45642	10.1
611.46552	100.0
612.46881	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01860	2.3
55.05265	0.9
55.05503	15.3
57.03434	4.8
57.07053	2.6
62.23558	0.7
63.02282	0.7
65.03928	1.9
67.05496	36.1
67.05862	1.7
68.05825	0.9
69.06707	1.3
69.07059	15.7
69.50753	2.0
69.51180	4.6
69.88445	0.8
71.04976	2.4
71.08617	1.5
75.04456	0.7
78.22331	0.8
79.05482	25.9
79.14626	0.9
81.03398	2.8
81.07044	40.0
83.04951	1.9
83.08609	7.0
83.77237	0.9
85.06518	2.3
91.05466	25.9
93.07029	32.2
94.07359	1.0
95.04950	4.4
95.08588	31.0
97.06518	3.3
97.10162	3.9
99.08104	1.9
103.05448	1.1
105.07016	26.6
106.40102	0.9
107.08578	20.1
108.08958	0.8
109.06493	2.8
109.10142	14.3
111.08058	1.4
111.11678	0.7
115.05436	1.0
117.07007	11.2
119.08557	22.4
121.10120	15.6
123.08038	1.5
123.11653	5.0
125.09627	1.1
128.06226	1.3
129.06998	7.0
131.08559	19.0
133.10107	20.9
133.11064	1.6
135.11661	11.1
137.09590	0.8
137.13243	1.2
139.11110	1.3
141.07001	1.4
142.07755	1.8
142.50751	0.8
143.08556	7.9
145.10118	16.2
146.10565	1.0
147.04419	1.7
147.11659	14.1
149.09575	1.7
149.13255	6.7
155.08554	4.6
157.10117	9.0
159.11667	12.5
161.13229	10.2
163.11201	1.2
163.14859	2.4
169.10114	5.9
171.11664	10.1
173.13226	9.9
175.14856	4.7
181.10062	1.0
182.10913	0.9
183.11700	4.6
185.13179	6.8
187.14801	4.3
189.16452	1.4
195.11700	1.7
197.13283	3.3
199.14749	5.9
201.16386	3.1
203.17972	1.4
209.13271	1.9
211.14827	3.2
213.16394	3.0
215.17981	1.8
217.19589	1.5
223.14880	1.6
225.16409	1.8
227.18176	1.3
229.19478	1.2
231.21049	1.7
237.16496	1.0
239.17952	2.1
241.19557	7.2
243.21068	1.5
246.51915	0.9
257.18982	3.5
259.20526	16.3
261.22168	3.3
267.15927	2.2
275.20065	2.0
276.20294	1.0
277.21860	1.0
283.20523	1.0
287.05457	0.9
300.77448	0.9
315.23441	1.2
325.25211	1.2
331.22638	1.2
333.24210	10.9
335.25726	20.3
335.29291	1.4
337.27533	1.0
359.26483	0.8
501.41391	1.5
519.41760	5.9
527.37183	1.1
537.42877	3.0
541.38770	1.4
569.42297	0.9
593.45599	9.1
611.46576	100.0
612.47467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.2
55.01854	1.3
55.05503	11.6
56.54917	0.6
57.03430	4.0
57.07056	2.2
64.27060	0.7
65.03929	1.3
67.05495	32.1
69.07055	12.1
69.64481	4.8
71.04977	1.6
71.08625	1.1
77.03934	0.7
78.02819	0.6
79.05483	23.8
79.05955	1.1
81.03416	0.8
81.07045	35.1
83.04971	1.4
83.08602	5.1
85.06532	1.7
91.04884	1.0
91.05463	22.5
93.07031	28.8
95.04953	2.5
95.08593	30.1
97.06521	2.9
97.10143	2.6
99.08073	1.6
103.05457	0.7
104.50401	0.8
105.07014	21.8
107.04948	1.2
107.08576	16.9
109.06513	2.0
109.10140	11.4
111.08064	1.0
115.05425	1.1
117.07001	8.5
119.08564	21.7
121.06460	0.8
121.10127	16.0
123.08047	0.8
123.11673	3.6
125.09586	1.3
128.06216	1.5
129.06984	6.3
130.07780	0.8
131.08546	17.3
133.10110	18.7
135.08017	0.8
135.11678	7.8
137.13280	1.2
141.06895	1.2
142.07784	0.9
143.08536	9.7
145.10103	18.0
147.11661	14.2
149.09543	1.1
149.13234	6.6
151.14847	0.7
155.08572	4.7
156.09320	1.3
157.10104	9.4
159.11676	13.1
161.09344	0.6
161.13226	11.4
162.43250	0.6
163.14803	2.5
167.08589	1.1
169.10094	4.8
171.11671	9.6
173.13216	9.7
175.14812	4.1
179.14320	1.0
181.10081	1.9
183.11653	3.7
185.13258	8.1
187.14807	5.4
189.16417	1.8
191.17940	0.8
195.11685	2.5
197.13283	4.8
199.14774	4.6
201.16370	3.0
203.17897	0.9
209.13191	1.8
211.14845	3.6
213.16418	3.1
215.17989	2.1
217.19583	0.9
219.17302	0.7
223.14871	0.7
225.16435	1.4
227.17990	1.3
229.19522	0.9
231.17477	0.8
231.21045	1.6
237.16464	0.8
239.17928	1.8
241.19484	8.6
243.17520	0.7
243.21077	1.7
251.17912	0.7
257.18933	3.5
259.20566	13.6
259.23334	0.8
261.22104	3.2
263.17844	0.7
267.21225	1.0
271.20612	1.2
273.22449	0.8
275.20193	1.3
277.21558	1.0
278.27106	0.6
285.22177	0.8
297.22119	1.0
299.20374	0.7
299.23657	1.1
311.23526	1.4
313.25299	1.0
315.23187	1.5
323.23471	0.7
325.25232	1.3
327.22983	0.7
331.22635	0.8
333.24170	11.9
335.25760	15.6
335.29840	0.8
337.27631	1.5
339.26627	0.8
353.28326	1.1
359.25894	0.7
367.29926	1.4
397.30832	0.8
475.34149	0.9
489.35889	0.9
503.65485	0.6
519.41858	6.5
537.42877	3.1
540.66864	0.7
541.38818	1.3
593.45715	8.2
611.46613	100.0
612.47052	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	611.466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
54.24419	1.1
55.05497	12.9
57.03415	2.8
57.07067	2.3
61.96643	1.3
67.05492	22.7
69.07054	11.7
69.38629	12.1
71.08617	2.2
79.05478	15.5
81.07039	23.7
83.04945	1.6
83.08617	6.6
85.06549	1.5
91.05466	12.2
93.07033	16.7
95.08585	17.9
97.06541	1.5
97.10155	4.3
98.18190	1.2
105.07016	15.0
107.08588	11.1
109.06496	2.1
109.10136	8.9
117.07015	10.0
119.08572	13.8
121.10111	7.8
123.08009	1.7
123.11671	3.8
125.09660	2.3
129.06970	7.4
131.08562	14.5
133.10086	9.5
135.11696	5.9
139.11159	1.3
141.06970	2.9
142.07770	1.6
143.08505	8.3
144.09302	1.5
145.10091	14.6
147.11674	5.8
149.13261	1.6
155.08516	7.2
157.10103	7.7
159.11688	9.5
161.13245	4.6
167.08592	2.2
169.10123	8.3
171.11659	9.2
173.13266	6.1
175.14783	1.9
181.10083	3.9
183.11671	6.9
185.13217	8.5
187.14748	3.3
195.11693	4.0
197.09749	1.4
197.13254	4.8
199.14813	5.1
201.16414	3.2
209.13174	2.3
211.14784	5.5
213.16389	2.4
215.17908	2.5
223.14778	2.2
225.16325	3.1
227.18114	1.5
229.19472	2.5
235.14771	1.6
237.16327	1.9
239.18079	2.3
241.19559	3.1
275.20078	2.4
339.41367	1.3
367.29739	1.5
373.45822	1.2
381.31268	1.3
387.33090	1.3
519.42053	6.6
537.42957	4.6
575.44977	1.7
593.45673	9.0
611.46558	100.0
612.47107	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	611.1598
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03941	0.3
55.01839	0.3
57.03432	0.5
59.04979	0.1
61.02915	0.9
64.76400	0.1
68.85365	0.1
68.99774	0.3
69.03419	2.5
70.06572	0.1
71.04952	0.3
71.46112	0.1
73.02874	0.3
79.05468	0.1
81.03410	1.0
82.07097	0.1
83.01320	0.1
85.02892	5.8
87.04429	0.2
89.07120	0.1
91.03932	0.3
95.04968	0.1
97.02884	2.2
99.04440	0.4
105.03357	0.3
107.04902	0.2
109.02872	0.7
111.00799	0.5
111.04420	0.1
121.02850	2.1
127.03901	1.4
129.06931	0.1
133.02815	0.4
135.04358	0.1
137.02351	0.5
139.03860	0.1
144.22726	0.1
145.04948	1.0
145.06247	0.1
145.06435	0.1
147.04416	0.5
151.03844	0.1
153.01804	2.5
157.06407	0.2
161.05916	0.1
165.01807	1.5
166.08675	0.3
171.04370	0.1
174.05336	0.1
175.03874	0.1
183.02863	0.7
185.05940	0.3
197.06020	0.1
199.03870	0.1
203.07068	0.1
213.05441	1.0
217.05011	0.1
231.06432	0.6
241.04915	0.7
243.06445	0.1
258.05228	0.9
259.06009	0.4
266.10101	0.1
269.04379	0.1
286.04578	0.1
287.05453	100.0
288.05804	1.5
299.05453	0.1
303.01453	0.1
303.04782	0.1
317.06412	0.1
329.06638	0.1
431.18314	0.2
449.10745	8.4
450.10672	0.1
473.51346	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1384
Annotation	56343-26-1
Peak:m/z	Relative Intensity
51.02385	0.3
53.03932	0.3
55.01857	0.4
55.05501	0.5
57.03410	0.4
65.03928	1.6
67.05481	0.8
68.99734	0.3
69.03416	5.7
69.07054	1.0
71.04975	0.4
71.61602	0.2
79.05487	1.5
81.03405	1.4
81.07042	1.7
83.04971	0.3
85.02884	1.5
85.06522	0.6
91.05462	9.8
93.03366	0.4
93.07040	1.9
95.04958	0.8
95.08586	1.4
97.02888	1.1
97.06507	0.4
97.10158	0.3
99.04424	0.5
103.05470	0.5
105.07020	1.4
107.04936	1.9
107.08578	1.6
109.02846	1.2
109.06485	1.0
109.10165	1.1
110.03624	0.2
111.00764	0.2
111.04367	0.4
111.08107	0.2
113.06028	0.2
115.05431	0.6
115.07526	0.2
117.06990	0.8
117.32874	0.2
119.04922	23.7
119.08562	0.8
120.05273	0.3
121.02823	0.3
121.06497	1.2
121.10111	1.0
122.03628	0.3
123.04398	0.6
123.08027	0.5
123.11697	0.6
124.05182	0.4
125.05971	0.6
125.09623	0.4
127.03894	3.7
129.06990	0.3
131.04941	0.8
131.08572	0.5
133.02870	0.2
133.06433	0.5
133.10063	0.8
135.04373	0.7
135.08043	0.4
135.11667	0.6
137.02312	0.7
137.05942	2.1
137.09590	0.3
139.03911	0.3
139.11270	0.2
141.07030	0.2
143.08582	0.3
145.06413	1.0
145.10071	1.3
147.04384	100.0
147.11626	0.5
148.04718	1.6
149.05952	0.7
149.09576	0.4
151.03882	0.6
151.07500	0.3
153.01781	1.6
153.05363	0.5
157.06450	0.4
157.10133	0.3
159.08026	0.2
159.11664	0.5
161.05945	0.8
161.09598	0.6
163.03891	1.2
163.07716	0.3
163.11136	1.2
165.01823	0.7
165.05463	1.8
167.07018	5.6
167.10666	0.2
169.06541	0.2
169.08664	0.4
171.06563	0.2
171.11673	0.3
173.05986	1.2
173.13206	0.3
175.07491	0.8
175.14728	0.2
176.08264	0.2
177.05476	0.7
177.09143	0.2
177.12730	1.5
179.03284	0.3
179.07028	0.7
179.10663	0.3
181.04944	4.4
181.08568	0.3
183.02863	0.3
185.05861	0.3
187.07542	0.4
187.11102	0.4
189.05492	0.3
189.09059	0.2
191.07033	0.6
191.10652	0.8
192.07799	0.3
193.08617	0.4
195.02774	0.3
195.06482	1.0
201.05397	1.4
203.06998	0.5
205.08577	0.6
205.12216	1.9
206.05345	0.2
207.06500	0.3
209.07968	0.3
209.11713	0.2
217.08542	0.4
217.12122	0.3
219.06448	0.3
221.07936	0.3
223.13234	2.5
227.12822	0.7
229.04961	1.4
231.06377	0.3
233.08051	1.0
233.11719	0.2
235.13141	0.3
253.14409	0.4
257.04391	0.9
285.03757	0.4
287.05429	0.8
291.08572	3.3
293.07922	0.3
303.04941	32.7
304.05228	0.6
309.09662	3.0
315.12271	0.6
323.08893	0.3
325.10739	0.4
353.10229	0.4
353.16013	0.3
357.13177	0.5
371.17017	0.2
385.12738	3.3
386.13501	0.7
402.12735	0.3
407.24286	0.2
413.11993	1.0
414.12997	0.4
415.14175	0.5
448.30411	0.8
449.30524	0.7
563.18909	0.3
581.19427	0.6
593.20990	0.3
610.35559	0.3
611.20538	1.7
611.35791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
55.01871	0.2
55.05499	0.3
57.03424	0.4
61.02885	0.2
61.26560	0.1
65.03928	1.0
67.05503	0.6
68.99783	0.2
69.03431	1.5
69.48483	1.5
79.05487	0.4
81.03412	1.5
81.07038	1.1
83.04974	0.2
85.02903	0.7
86.01360	0.2
91.05470	11.3
92.05801	0.4
93.07053	0.8
95.04953	0.5
95.08600	0.4
97.02873	0.4
97.06522	0.3
98.20768	0.3
99.04392	0.3
105.07010	0.7
107.04948	0.3
107.08578	0.7
109.02850	1.0
109.06520	0.4
109.10121	0.2
111.00780	0.3
112.28269	0.2
119.04932	25.3
119.08566	0.3
120.05284	0.5
121.02843	0.4
121.06492	0.7
121.10132	0.4
123.04416	0.6
123.11707	0.2
127.03921	0.9
133.02861	0.3
133.06400	0.2
133.10199	0.3
135.08040	0.3
135.11717	0.2
137.02307	1.2
137.05930	0.6
139.07530	0.2
145.06531	0.2
145.10184	0.2
147.04395	100.0
147.11700	0.6
148.04707	1.4
149.13269	0.4
151.03935	0.2
153.01840	1.5
161.05991	0.4
161.09633	0.2
163.03860	0.6
163.07512	0.3
165.01820	0.7
165.05489	0.7
165.12781	0.3
166.02609	0.2
167.07042	0.6
173.05997	0.3
175.11089	0.3
177.09137	0.4
179.03343	2.3
179.06975	0.2
181.04930	0.3
183.02866	0.3
189.12697	0.3
191.06894	0.2
193.12321	0.2
201.05458	0.7
207.13805	0.2
217.12257	0.7
229.04947	1.7
235.13284	1.0
247.05965	0.2
253.14453	0.8
257.04514	0.9
261.79874	0.2
269.17392	1.2
274.04684	0.2
285.03952	0.5
287.05411	0.2
291.08670	1.8
303.04965	42.0
304.05353	1.2
309.09729	1.0
345.06131	0.2
611.22504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1387
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
55.01857	1.8
56.48808	0.8
56.96560	1.3
59.08247	0.8
64.76281	0.8
65.03919	1.5
65.40232	0.8
68.20265	0.8
68.99780	5.9
69.03426	1.2
79.05489	1.4
81.03403	3.3
85.02900	3.4
94.59928	0.8
95.04959	1.3
97.02888	2.6
98.20635	1.9
98.97585	1.7
99.04433	1.2
107.04956	1.4
109.02865	3.6
111.00797	6.3
111.04432	1.2
116.98570	1.2
119.04949	1.1
120.08067	1.9
121.02853	2.3
121.06497	0.8
123.04408	9.9
127.03902	91.7
128.04343	1.0
130.48543	0.8
131.04930	1.3
133.02840	3.0
134.99673	0.9
135.04402	3.1
137.05991	1.7
139.03885	100.0
140.04250	1.2
146.99716	0.9
147.04396	5.6
149.02359	3.2
149.05916	1.1
151.03883	26.8
153.01817	3.2
155.03412	1.7
157.06531	1.0
159.04430	1.1
161.05928	1.0
163.03889	10.3
165.05472	3.2
166.08604	1.8
167.03439	5.3
167.04649	1.3
167.06943	0.9
169.04944	1.3
171.04402	1.5
173.05943	1.1
175.03870	10.2
177.05444	5.7
179.03375	31.7
179.06876	1.0
181.04974	5.2
185.06061	1.4
187.03931	1.3
189.05432	3.5
191.03389	11.5
193.04956	4.6
197.05965	1.0
197.08092	1.1
199.03900	2.7
201.05429	5.1
203.03358	17.3
203.05151	1.4
205.04991	2.0
213.05452	4.3
215.03357	1.2
217.04927	4.6
219.06569	1.1
229.04959	6.0
230.21542	1.2
231.06548	2.3
233.04448	7.2
237.02846	2.4
241.04951	2.4
245.04396	11.1
247.06046	1.5
251.05417	2.5
253.04865	0.9
257.04459	16.5
258.05060	1.1
259.06070	3.6
263.05481	17.8
269.04395	2.6
271.05991	3.1
275.05444	20.9
287.05472	52.9
288.05887	1.3
289.07083	3.1
299.05484	16.9
303.01300	3.6
305.06516	13.4
307.08063	10.2
317.06528	22.4
318.06860	0.9
407.07510	2.8
425.08594	25.1
437.08853	1.6
443.09647	18.9
449.09702	0.9
467.09637	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.1
53.03925	0.2
53.29134	0.1
57.03410	0.3
62.08407	0.1
65.03927	0.7
67.05508	0.3
69.03421	6.5
69.07047	0.4
69.37370	1.5
74.16276	0.1
77.76463	0.1
79.05473	0.5
81.03407	1.0
81.07035	0.5
83.04948	0.3
85.02893	0.7
85.06526	0.2
89.03878	0.2
91.05465	6.2
93.07037	0.5
95.04935	0.4
95.08580	0.5
97.02876	0.9
97.06484	0.2
99.04442	0.5
105.07036	0.7
107.04940	0.4
107.08565	0.7
109.02872	1.1
109.06511	0.5
109.10149	0.4
111.04420	0.2
111.08102	0.2
113.06023	0.2
117.03416	0.2
117.07006	0.2
119.04926	19.5
119.08547	0.3
120.05244	0.3
121.02844	2.1
121.06484	0.5
121.10128	0.6
121.86201	0.2
123.08070	0.2
127.03903	3.4
127.07525	0.2
131.08621	0.2
133.06480	0.2
133.10083	0.2
135.04413	0.4
135.08092	0.3
135.11723	0.2
137.02303	0.8
137.05931	0.5
137.09581	0.4
145.02872	0.2
145.06451	0.3
145.10109	0.4
147.04387	100.0
148.04756	1.3
149.09526	0.8
151.03899	0.2
151.07516	0.2
153.01801	1.2
157.06551	0.3
159.08080	0.2
161.05984	0.3
161.09607	0.5
163.03900	1.9
163.11197	0.6
165.01819	0.4
165.05505	0.9
165.09111	0.4
167.06978	1.0
169.08649	0.2
173.05978	0.4
175.11218	0.2
177.05524	0.2
179.10667	0.5
181.04939	0.6
186.13432	0.2
191.03401	0.2
191.06995	0.2
191.10629	0.3
193.08566	0.2
201.05446	0.4
203.07104	0.2
205.12167	0.4
207.10117	0.2
209.11710	0.2
223.13258	1.1
227.12785	0.5
229.04984	0.8
231.06592	0.2
257.04416	0.6
274.04871	0.2
285.03943	0.2
287.05551	2.3
291.08582	5.1
291.67441	0.2
303.04953	20.4
304.05185	0.3
309.09659	5.6
371.16754	0.2
477.54672	0.2
518.65674	0.2
529.19727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1385
Annotation	56343-26-1
Peak:m/z	Relative Intensity
53.03940	0.2
54.99820	0.1
55.01884	0.1
57.03425	0.2
60.68723	0.1
63.21302	0.1
65.03918	0.9
69.03415	1.1
81.03403	3.2
81.07036	0.2
83.08573	0.1
85.02879	1.0
91.05465	8.0
95.04959	0.2
95.08598	0.1
97.02877	0.5
97.06483	0.1
98.21517	0.2
99.04436	0.3
105.07034	0.1
107.04933	0.2
109.02859	1.4
111.00777	0.2
117.03390	0.1
117.07024	0.1
119.04922	20.4
120.05254	0.3
121.02833	0.3
123.04420	0.1
127.03879	0.7
135.04375	0.3
135.17148	0.1
137.02310	0.8
137.05943	0.3
145.02820	0.3
145.10138	0.1
147.04385	100.0
148.04724	1.4
149.02251	0.1
153.01784	0.9
161.05981	0.2
163.03882	1.8
165.01811	0.3
165.05453	3.4
165.06854	0.2
167.07054	0.5
167.12289	0.1
181.04875	0.2
183.02882	0.2
191.07018	0.1
193.08636	0.1
201.05466	0.4
218.75146	0.1
229.04964	0.8
235.13254	0.1
257.04449	0.5
274.04776	0.1
285.03940	0.3
287.05563	0.5
291.08575	5.2
292.08823	0.1
303.04947	16.7
304.05380	0.4
309.09628	2.5
310.09839	0.1
345.05618	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.8
56.96549	1.6
65.03918	1.2
66.44648	0.8
68.99782	6.8
69.03414	2.8
71.61102	1.6
73.02891	1.6
79.01842	1.0
81.03391	3.8
82.20980	0.8
85.02908	4.8
95.04952	0.9
97.02863	2.6
98.97581	2.0
99.04412	1.8
107.04932	1.3
109.02866	4.2
111.00773	6.1
111.04436	1.3
119.04919	1.0
123.04411	11.5
127.03899	100.0
128.04218	1.4
128.98549	1.2
133.02831	2.6
134.33720	0.8
134.99629	0.8
135.04430	2.7
137.05957	1.4
139.03882	86.1
140.04169	0.7
141.72855	0.8
147.04370	6.4
149.02293	2.2
149.05881	0.9
151.03886	27.9
153.01811	9.7
155.01971	1.0
155.03368	1.3
161.01233	1.0
161.02940	2.1
163.03879	8.4
165.05432	1.4
167.03365	4.3
169.04900	1.4
171.04424	1.3
173.02988	0.9
173.06033	0.9
175.02498	1.2
175.03870	12.8
177.00626	1.1
177.05452	5.4
179.03380	40.5
181.04924	3.2
185.05992	2.0
189.05487	3.3
191.03363	9.0
193.04912	2.5
197.05933	0.9
199.03923	2.3
201.05516	2.8
203.03377	17.7
204.03459	0.8
205.05003	2.6
211.00826	1.5
213.05519	4.3
215.03294	1.5
217.04965	4.6
219.01775	1.3
221.04680	1.1
225.05539	1.4
229.04930	4.4
231.06505	3.2
233.04495	6.4
237.02792	1.4
241.04938	2.8
245.04523	10.6
247.05934	0.8
251.05484	1.7
257.04416	13.1
259.06039	3.6
263.05466	21.7
269.04456	3.2
271.05927	3.1
275.05444	16.9
277.03452	1.9
281.83893	1.0
285.03973	0.9
287.05453	53.6
288.05896	1.4
289.06979	2.8
299.02274	1.0
299.05472	15.9
303.01218	4.7
305.06519	10.5
307.08133	10.1
317.06558	18.9
319.12125	1.0
407.07764	1.4
415.02936	0.9
424.67148	0.8
425.02994	1.5
425.08627	21.2
426.08942	1.1
443.09671	13.9
483.05734	1.0
503.39581	1.0
569.13226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.8
54.46878	1.2
55.01871	10.9
55.05504	22.5
56.94447	1.3
57.03425	11.0
57.07048	1.5
65.03924	2.5
67.05493	55.9
67.85300	1.3
69.03419	6.8
69.07059	23.7
69.65474	2.3
69.65880	8.8
71.04987	8.0
72.70036	1.2
73.06522	1.3
78.16428	1.3
79.05486	42.0
81.03406	48.7
81.07045	68.3
83.04532	2.3
83.04972	20.6
83.08601	19.5
85.02895	14.2
85.06522	6.1
91.05464	62.5
93.06462	2.7
93.07032	39.7
95.04955	30.2
95.08594	24.5
97.02872	3.8
97.06534	8.1
97.10140	6.5
99.04469	1.4
99.08066	2.8
103.05454	3.1
104.10727	1.4
105.04522	1.6
105.07016	50.1
106.07319	1.7
107.04953	11.3
107.08581	32.8
109.06501	9.5
109.10139	42.2
111.08070	9.6
113.05981	3.0
115.05420	2.4
117.07034	9.0
119.08571	24.6
121.06512	5.9
121.10140	11.5
123.04456	2.0
123.08035	6.7
123.11712	7.6
125.09623	4.5
127.07540	3.2
128.06197	1.6
129.06995	13.2
130.07773	1.4
131.08540	19.0
133.06468	5.4
133.10112	56.3
135.08052	7.8
135.11656	5.9
137.09601	3.2
138.49850	1.2
142.07770	1.9
143.08525	5.0
145.06410	1.8
145.10109	10.1
146.10510	1.6
147.04384	1.5
147.08044	6.9
147.11687	12.9
149.09599	10.2
151.07489	1.6
151.11154	24.7
157.10081	13.6
159.07901	1.4
159.11578	2.5
161.09587	7.4
161.13286	1.4
163.11201	3.4
165.09163	1.5
165.12773	2.5
169.12241	5.1
171.11658	3.3
175.11183	11.9
175.14871	1.7
177.09082	2.3
177.12645	2.0
179.10602	1.3
189.11151	2.4
193.12221	38.0
193.13838	2.7
211.13261	55.4
215.12694	1.9
223.13254	4.7
227.12700	1.9
227.17943	1.8
245.18869	2.3
251.12807	2.2
253.14317	100.0
254.14618	1.7
255.17561	2.2
263.20004	2.8
267.15863	12.8
268.97714	1.6
271.15378	2.3
273.18469	20.9
274.18814	1.8
275.20181	3.2
276.20395	2.1
285.16937	41.6
291.19489	45.0
347.22018	6.5
365.23160	31.7
365.27118	1.2
445.25995	2.1
463.26862	10.8
477.28287	1.9
481.27884	9.3
483.31299	1.9
534.49915	1.6
557.34772	15.8
575.35657	41.9
576.35590	2.5
610.36835	1.7
610.45532	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	610.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47514	0.9
53.03934	2.9
54.52519	0.8
55.01871	6.0
55.05258	1.7
55.05502	22.0
56.14696	0.9
57.03426	9.0
57.07053	1.4
65.03925	1.9
66.79082	0.9
67.05492	36.3
69.03419	8.2
69.07062	25.8
71.04973	4.2
71.07475	1.9
73.02943	0.9
79.05481	28.7
81.02923	1.2
81.03406	28.6
81.07046	37.2
83.04971	11.0
83.08134	1.1
83.08613	15.9
85.02892	11.2
85.06526	2.1
91.05453	26.7
93.07030	29.1
94.25059	0.8
95.04947	18.1
95.08030	0.6
95.08587	17.1
97.02882	7.6
97.06527	5.9
97.10153	13.4
103.05453	0.9
105.07009	21.5
107.04944	7.9
107.08574	16.4
109.06516	6.4
109.10137	8.3
111.04462	1.8
111.08078	6.0
111.73908	0.8
113.05969	1.1
114.05131	0.9
115.05443	1.7
117.06992	8.4
119.04899	1.1
119.08562	23.1
121.06506	3.9
121.10120	9.5
123.08077	4.9
123.11659	3.0
125.09605	8.6
128.06232	1.1
129.06963	9.5
131.08571	10.4
133.06473	3.2
133.10112	9.5
135.08009	3.6
135.11650	7.1
137.09615	2.7
142.07791	2.7
143.08527	3.4
145.10114	10.1
146.45209	1.0
147.08032	7.5
147.11656	9.3
149.09578	5.5
149.13197	3.5
151.11156	1.0
153.09155	1.1
157.10103	9.4
157.66339	1.0
159.07970	1.1
159.11679	3.8
161.09607	2.2
161.13260	1.1
163.11197	6.9
165.09062	2.1
169.10104	1.6
171.11664	1.4
173.13249	1.5
175.11176	7.6
177.12798	1.8
181.12151	1.3
183.11786	1.1
185.13316	1.4
189.11198	3.5
189.12717	1.0
193.10425	1.4
193.12199	23.9
195.13744	1.4
203.14253	1.0
205.12155	1.9
211.13255	35.7
212.13687	0.9
223.13249	15.3
227.12730	14.4
249.14832	2.9
267.15848	14.8
269.17413	3.7
273.18417	10.8
275.20102	3.3
283.15341	6.9
285.16922	31.9
291.19492	100.0
292.19934	2.3
347.22214	1.4
349.23636	3.6
365.23166	37.9
437.25415	1.0
453.24750	1.0
459.27377	1.1
463.26617	2.4
477.28351	8.7
557.34705	19.7
575.35663	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	609.4504
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03934	1.1
55.01859	1.7
55.05502	11.9
55.87253	0.5
57.03433	3.8
57.07058	1.5
64.92112	0.5
65.03921	1.0
65.24981	0.4
67.05495	20.7
69.06719	0.8
69.07062	11.7
71.04971	1.3
71.08579	0.7
79.03918	0.6
79.05479	12.8
81.03413	1.5
81.07045	23.9
83.04970	1.4
83.08604	5.7
85.06546	1.2
91.05463	12.7
93.07029	14.6
95.04953	1.6
95.08595	17.9
96.08864	0.5
97.06514	1.8
97.10152	3.4
99.08050	0.7
104.15588	0.6
105.07018	13.8
107.04925	1.0
107.08581	10.3
109.06514	0.9
109.10137	9.0
111.08038	1.2
115.05431	0.8
117.07001	8.2
118.09080	0.5
119.08565	13.0
121.06474	0.7
121.10137	6.5
123.08026	0.9
123.11699	2.3
125.09616	1.1
128.06198	2.1
129.06993	9.0
131.08542	10.7
133.10115	10.1
135.11676	3.9
137.09601	0.7
137.13255	1.3
141.06976	4.7
142.07722	2.4
143.08542	12.5
144.09221	0.6
145.10101	12.1
146.14433	0.6
147.11658	6.4
149.13245	2.9
153.06990	0.9
154.07761	1.3
155.08537	11.3
156.09276	0.9
157.10100	14.0
159.11685	8.8
161.09607	0.6
161.13281	2.9
161.26140	0.6
163.11180	0.7
163.14803	1.1
165.07033	1.7
165.12900	0.5
166.07768	1.0
167.08533	5.8
168.09296	0.9
168.80518	0.6
169.10100	12.7
170.10938	0.9
171.11668	11.4
173.09514	0.5
173.13223	5.2
175.14816	1.9
177.16499	0.7
179.08629	1.5
180.09349	1.1
181.10094	9.0
182.10829	1.7
183.11671	12.5
183.13208	0.9
184.12430	0.7
185.13211	8.5
185.14783	0.6
187.14799	3.1
189.16357	0.9
190.12814	0.6
191.08640	0.5
193.08571	0.6
193.10120	3.6
194.10939	1.0
195.11647	7.4
196.12460	1.0
197.13240	11.2
197.15018	0.9
199.11116	0.6
199.13316	0.8
199.14819	4.8
201.16418	2.0
205.10144	0.8
206.10785	0.6
207.11644	2.7
209.13219	7.8
210.14023	0.6
211.13066	0.7
211.14827	6.7
213.16371	3.0
215.18001	0.7
219.11662	0.6
220.12413	0.9
221.13269	3.2
222.14052	0.6
223.14734	5.1
225.16368	5.1
227.18062	2.6
229.14270	0.6
229.19594	0.7
229.80634	0.7
233.13278	1.3
235.14821	2.4
237.16324	3.0
239.17986	3.6
241.19611	1.4
247.14795	0.8
249.16367	1.1
251.18024	2.2
253.19537	2.0
257.19092	0.9
263.17996	1.0
265.19495	1.8
267.21292	0.7
277.19498	1.1
279.17459	0.6
279.21063	1.4
285.22168	0.5
291.20731	0.7
293.22311	0.6
297.22092	0.7
307.20712	0.7
308.01291	0.5
309.22012	0.7
321.22040	0.8
327.23148	0.7
335.23547	1.2
337.21625	0.6
337.25323	1.4
347.23575	1.1
349.25067	1.1
351.22791	0.6
351.26773	2.3
353.24637	0.7
355.06927	0.7
355.26199	1.1
363.26639	1.5
365.28287	1.2
367.26041	0.9
377.28329	1.0
379.30026	1.1
391.30225	0.9
393.31845	0.7
405.31494	0.8
429.31262	0.7
435.32391	0.8
437.34174	0.8
447.32266	1.0
461.34485	0.7
499.39417	2.4
500.40350	0.5
511.37772	0.9
517.40326	11.6
535.41455	6.3
539.37201	1.5
555.42297	0.7
573.42560	2.5
591.43994	15.3
592.44592	0.6
609.45026	100.0
610.45441	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.45
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.2
55.01863	10.9
55.05502	21.4
57.03430	2.6
57.07050	1.8
58.41778	1.9
65.03930	3.3
67.05495	55.4
69.03413	2.7
69.07056	37.7
69.39868	18.7
71.04993	2.3
79.05482	57.0
81.03423	6.0
81.07043	64.6
83.04975	8.4
83.08599	5.7
91.05468	56.8
93.07030	55.9
95.01316	12.7
95.04949	12.2
95.08585	44.3
97.06516	15.1
97.10146	3.4
98.21526	3.9
103.05461	2.8
105.04498	2.5
105.07014	68.6
107.04932	16.2
107.08575	24.6
109.06535	5.0
109.10143	15.4
113.09595	2.2
117.07004	18.3
119.08568	43.1
119.67007	1.8
121.06490	3.0
121.10120	15.3
123.04423	3.1
123.08067	4.2
123.11716	3.4
125.09603	2.9
129.06990	3.0
131.08554	22.8
133.10115	39.7
135.07997	3.2
135.11684	11.2
137.09602	2.6
139.07527	2.2
143.08516	4.1
143.51830	2.2
145.06444	2.8
145.10091	16.1
147.11641	13.8
149.09624	5.9
149.13263	6.2
151.11191	2.6
155.08501	2.5
157.10091	3.6
159.11659	10.8
161.13239	6.1
163.11218	2.9
165.09114	4.4
169.10097	3.6
169.42288	1.8
171.11668	3.0
173.13254	5.6
177.12747	5.1
177.30103	1.9
179.14267	18.3
182.33174	1.8
183.11659	2.9
197.13129	3.0
219.17480	6.2
229.19554	1.9
236.12019	1.8
239.18030	3.6
243.21115	2.3
257.16547	2.0
257.19067	8.2
275.20010	96.6
276.20239	3.2
282.52026	2.0
293.21112	9.0
331.22635	2.0
335.25470	1.9
349.23697	2.6
371.88934	1.9
547.69055	2.2
554.11212	1.8
609.45020	100.0
610.45129	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	609.4506
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03929	2.4
55.01847	2.0
55.05264	0.8
55.05506	10.6
57.03425	3.1
57.07047	2.0
59.04969	0.7
65.03918	1.2
67.05499	25.7
67.42696	0.5
69.03419	0.8
69.07059	12.7
70.07397	0.7
71.04977	1.2
71.08609	1.0
79.05482	18.1
81.03408	0.9
81.07047	25.1
83.04968	1.7
83.08613	7.1
85.06550	0.8
91.04887	0.9
91.05463	16.1
93.07034	19.2
95.04954	2.6
95.08593	22.8
97.06514	2.8
97.10183	3.5
98.21537	1.1
99.08081	1.0
103.05450	0.8
105.07018	18.2
107.04932	1.3
107.08589	11.9
109.06501	2.0
109.10152	10.1
111.08070	1.2
115.05447	1.2
117.07005	9.0
119.08570	15.5
121.10139	10.0
123.08053	1.2
123.11709	3.2
125.09626	1.9
128.06210	1.8
129.06989	8.7
130.07794	0.9
131.08540	15.0
133.10106	12.3
135.08020	0.8
135.11668	4.8
137.09554	0.8
137.13197	1.1
139.10071	0.6
139.11137	0.7
141.06969	3.7
142.07777	1.7
143.08545	10.0
144.09364	1.4
145.10115	14.4
147.11670	5.5
149.09572	1.9
149.13229	3.5
153.07001	1.0
154.07779	0.8
155.08513	8.0
156.09271	1.3
157.10110	12.0
159.11676	8.5
161.13222	4.6
163.11130	1.5
163.14882	1.4
167.08566	2.8
168.09317	0.9
169.10115	9.9
171.11671	9.2
173.13254	6.8
175.11258	0.7
175.14828	3.0
177.12784	0.7
179.08583	1.2
179.14371	1.6
181.10110	4.8
182.10918	0.8
183.11676	10.3
185.13243	6.9
187.14799	3.0
189.16446	1.0
193.10170	2.0
195.11659	5.7
196.12590	1.0
197.13242	7.9
198.13919	0.8
199.14822	4.6
201.16364	1.6
203.17747	0.7
207.11690	2.7
209.13258	7.0
211.14827	6.8
213.16440	2.9
214.16943	0.8
215.17986	1.3
219.11765	0.9
221.13263	1.7
223.14757	3.6
225.16296	4.5
227.17972	2.1
229.19595	1.1
235.14851	1.9
237.16354	3.4
239.17970	3.2
243.21098	0.7
243.96376	0.8
249.16351	1.7
251.17969	2.0
253.19548	1.9
257.19031	2.6
259.20752	0.7
263.17966	1.1
265.19528	1.0
267.20901	0.7
269.18900	0.7
275.20062	6.1
283.20490	0.9
297.22372	0.8
307.20538	1.1
309.22205	1.0
311.23666	0.8
321.22293	1.3
325.25873	0.8
337.25244	1.2
349.25006	0.9
351.26886	1.1
365.28445	1.4
379.30301	0.7
393.31369	0.9
405.31491	0.8
447.32257	1.2
461.33893	1.1
499.39368	1.8
501.35733	1.0
515.38141	0.7
517.40289	7.1
535.41357	4.3
539.37140	1.9
540.37921	1.1
573.42975	0.9
591.44025	8.0
609.45062	100.0
610.45331	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	609.4503
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03927	1.1
55.01860	1.3
55.05254	0.8
55.05503	10.7
57.03423	3.0
57.07048	1.1
64.07593	0.5
65.03924	1.4
67.05494	18.8
69.07061	10.1
69.85385	0.5
71.04984	1.3
71.07455	0.9
76.79203	0.5
79.05482	13.5
81.03416	0.6
81.07045	20.6
83.04969	1.1
83.08607	5.7
85.06533	0.8
89.21633	0.5
91.05466	12.3
91.05999	0.9
93.07030	15.0
93.07610	0.9
94.42434	0.4
95.04960	1.7
95.08595	17.6
97.06526	2.1
97.10172	3.1
99.08057	1.0
104.91262	0.4
105.07014	10.8
107.04975	0.6
107.08573	8.7
109.06488	0.5
109.09377	0.4
109.10131	7.8
111.08067	1.3
115.05470	0.6
117.07000	7.1
119.08559	10.9
121.10127	7.1
123.08084	1.2
123.11678	2.3
125.09653	1.4
128.06203	2.1
129.06996	7.8
130.07837	0.9
131.08554	11.2
133.08592	0.5
133.10098	8.1
134.03029	0.4
135.11678	3.9
137.09622	0.8
137.13304	0.6
139.11160	0.7
141.06972	3.6
142.07779	2.1
143.08543	11.3
144.09262	0.8
145.10101	14.1
147.11673	5.6
149.13235	1.3
153.06976	1.7
154.07758	1.1
155.08546	9.1
156.09320	1.4
157.10121	12.3
158.10791	0.7
159.11678	8.3
161.13257	3.5
163.11140	0.6
163.14783	0.6
165.06990	0.9
166.07825	0.9
167.08546	3.8
168.09369	0.8
169.10121	11.3
170.10890	1.0
171.11656	9.0
173.13210	4.6
175.14798	1.8
179.08566	1.7
181.10107	5.6
182.10805	0.9
183.11662	11.9
184.12402	0.7
185.13237	6.5
187.14784	3.3
189.16310	0.9
193.10132	2.1
194.10921	0.7
195.11676	9.0
196.12480	0.9
197.13239	9.4
199.13148	0.7
199.14819	4.8
201.16425	1.6
203.17813	0.7
205.10126	0.9
207.11623	3.0
209.13237	6.7
211.14793	6.1
213.14644	0.7
213.16415	3.2
215.17862	0.5
219.11768	0.8
221.13229	2.6
223.14766	5.4
225.16367	4.2
227.17982	2.5
229.19621	0.5
233.13275	1.2
233.19153	0.5
235.14787	2.7
237.16273	3.2
239.17934	3.7
241.19702	1.3
249.16443	1.3
251.17894	2.4
253.19472	1.8
257.19122	0.9
263.17935	0.7
265.19547	1.4
267.21252	0.6
275.20120	1.6
277.19431	0.6
279.17780	0.5
279.21042	1.0
281.18979	0.9
281.22198	0.5
283.20502	0.6
287.20160	0.5
289.19611	0.7
291.21274	0.6
295.20404	0.8
297.21982	0.5
299.20047	0.5
309.22180	1.0
309.79517	0.5
311.19940	0.6
311.23624	0.6
313.21460	0.8
321.22101	1.0
323.23880	0.9
325.21744	0.6
325.25372	0.6
329.24881	0.6
335.23514	0.8
337.25299	1.8
339.23123	0.6
339.26926	0.8
347.23621	0.8
349.25204	1.8
351.26950	1.9
353.24530	0.7
353.28668	0.6
363.26889	1.0
365.28519	1.8
375.26797	0.6
379.30334	0.6
381.27902	0.6
391.30185	0.6
393.27658	0.7
395.29434	0.7
407.28906	0.6
409.30753	0.6
425.30542	0.9
439.32043	0.9
447.32516	1.3
449.34537	0.6
461.33923	0.9
473.32657	0.6
475.34778	0.6
497.36029	0.5
499.39471	1.6
517.40277	11.0
521.36322	1.2
535.41595	5.6
539.37244	1.0
540.37921	0.8
553.42242	0.6
565.42596	0.6
573.42853	2.4
584.67261	0.5
591.35364	0.9
591.44049	10.7
592.44019	1.0
609.45050	100.0
610.45319	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	609.362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.5
51.82239	1.1
53.03925	5.1
55.01664	1.1
55.01868	13.2
55.05256	2.1
55.05500	32.5
56.65628	1.2
57.03428	14.4
57.07058	4.9
58.27027	1.1
59.04980	4.8
65.03927	4.2
67.05492	100.0
68.05811	1.5
69.03423	9.5
69.07056	19.6
69.61565	9.7
71.01324	1.3
71.04984	9.8
73.02876	1.6
73.30009	1.1
75.26878	1.0
75.86867	1.2
79.05482	37.8
81.03402	61.8
81.07039	57.8
82.07360	1.7
83.04962	20.6
83.08604	31.8
85.02888	29.8
85.06531	4.8
91.05460	40.5
92.05774	1.9
93.07024	33.1
93.52221	1.2
95.04945	29.3
95.08588	22.1
97.02881	5.7
97.06507	12.0
97.10158	13.8
98.20719	1.3
99.08063	2.6
101.06033	1.1
102.32495	1.4
105.07011	28.4
107.04951	9.6
107.08573	17.4
108.08868	1.9
109.06504	9.0
109.10136	55.3
111.04414	4.7
111.08068	14.4
113.06000	3.4
115.05446	1.6
117.07002	8.2
119.08555	31.8
119.09346	2.2
121.06486	2.9
121.10127	10.0
123.08067	6.9
123.11683	5.0
125.09614	11.0
127.03860	1.7
127.11173	1.6
129.05467	4.5
129.06981	11.7
131.08527	14.7
133.06488	3.7
133.10118	12.8
135.08031	4.3
135.11653	4.1
136.06165	2.9
137.09587	6.7
140.37149	1.3
142.07751	2.3
143.08546	2.6
145.06461	1.7
145.10110	5.9
147.08057	3.8
147.11685	16.1
149.09598	7.6
151.11130	2.4
153.09076	1.7
153.12744	1.4
155.08559	2.2
155.10651	2.1
157.08830	1.9
157.10065	11.6
158.05682	1.8
159.07973	2.2
159.11671	2.2
161.09596	2.7
163.11209	2.9
165.12775	3.3
171.06471	4.0
173.09593	1.7
173.11761	10.2
175.11151	15.9
181.12175	2.3
185.13251	1.3
189.11221	4.9
189.12704	1.2
193.12212	40.3
194.12671	1.6
199.09624	2.2
199.13290	1.6
211.13252	51.2
211.15248	2.5
212.13652	1.9
223.13246	1.3
227.12759	12.1
228.13148	3.3
229.14276	6.0
242.15115	1.6
245.18985	1.8
253.14322	2.5
255.15895	2.5
267.15829	9.3
271.17209	1.3
273.18573	7.1
283.15378	2.6
285.16934	3.2
286.17197	1.4
291.19409	7.0
301.16455	5.2
311.22092	1.6
325.19864	1.4
328.53375	1.4
339.17987	4.3
339.21579	1.9
348.07312	1.8
365.23367	4.2
381.22495	1.8
409.25439	1.6
421.25995	1.8
439.26797	83.3
440.27414	2.5
447.27176	1.6
456.26578	2.2
465.28394	1.5
467.30045	4.3
523.95496	1.6
555.33661	1.4
556.33038	2.2
574.34021	2.9
591.34943	4.0
609.36224	67.3
610.36444	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2703
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05500	4.0
57.03407	0.9
57.07055	1.5
62.11282	0.8
65.97334	0.8
67.05501	7.3
69.03407	0.9
69.07045	3.5
79.05486	7.5
81.03365	1.1
81.07053	8.6
83.04984	1.4
83.08589	2.5
91.05476	5.1
93.07025	7.8
95.04977	1.3
95.08585	6.7
97.06512	1.5
98.21438	1.9
105.07024	5.1
107.04900	1.0
107.08590	5.9
109.06551	1.1
109.10154	4.1
117.07001	2.1
119.08566	5.3
121.10128	4.2
125.09633	1.3
131.08531	4.1
133.10120	3.9
135.11656	2.5
143.08569	2.1
145.10114	3.4
147.11705	2.4
149.09579	1.3
157.10077	2.4
159.11649	2.1
169.10121	1.4
171.11684	2.0
173.13240	1.6
183.11676	1.4
185.13341	1.3
187.14807	1.0
197.13351	1.7
209.13268	1.3
275.20117	3.3
331.22250	1.1
389.17789	1.2
391.18997	1.7
392.19907	1.1
405.20770	1.8
406.21265	1.6
407.22281	3.6
414.18341	1.1
415.19223	2.1
419.18201	1.5
419.22922	1.6
421.23801	2.6
422.24289	1.0
429.20871	2.3
430.21915	1.1
433.20129	3.2
434.20947	1.6
435.21960	3.9
443.22305	1.1
444.23019	1.6
447.17429	1.3
449.23105	1.3
457.23965	2.1
459.21683	2.0
460.22693	1.4
461.19330	5.1
462.20474	4.6
463.21271	3.6
471.18100	1.2
474.20618	1.4
475.20792	6.2
476.21640	8.4
477.22791	3.8
478.23627	1.3
485.23495	9.4
486.20419	2.0
487.25342	1.4
489.22867	5.5
497.23666	1.2
499.21146	2.2
500.21896	2.1
503.24368	5.0
513.22656	1.6
515.24292	6.9
517.41199	1.0
521.25781	6.9
531.23914	14.2
549.24524	9.9
550.25824	3.4
559.23486	5.8
577.24457	1.3
591.26007	23.9
591.45044	1.0
609.26978	100.0
609.43842	13.5
610.27289	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28817	1.0
52.37661	1.0
53.03938	9.3
55.01867	7.2
55.05502	27.9
56.96356	0.9
57.03432	11.8
57.07060	2.3
65.03922	2.4
67.05495	59.5
68.05819	1.0
69.03419	17.9
69.06713	1.4
69.07056	16.2
71.01337	3.9
71.04985	10.9
71.14120	2.4
73.02896	1.0
79.05483	51.8
80.05811	1.1
81.03407	97.7
81.07048	40.2
82.07375	1.2
83.04972	24.3
83.08610	17.7
85.02895	17.8
85.06536	3.7
91.04894	1.1
91.05465	36.6
93.07032	53.5
95.04955	23.0
95.08592	13.0
97.02885	16.1
97.06522	13.4
97.10163	12.0
99.04449	6.8
99.08076	3.0
103.05489	1.2
105.04500	1.0
105.07019	21.8
107.04932	8.6
107.08579	30.2
109.02859	15.7
109.06491	6.5
109.10133	14.5
111.04426	16.0
111.08067	9.8
113.05946	1.7
117.07004	8.9
117.12930	1.0
119.04919	1.6
119.08566	20.0
119.09403	0.8
121.06478	6.3
121.10133	13.2
123.04467	1.2
123.08056	3.5
123.11711	2.8
125.06004	1.9
125.09612	4.5
126.46093	1.0
127.03899	10.2
128.06215	1.9
129.05458	2.6
129.06973	10.2
131.08549	11.9
133.06459	2.7
133.10110	14.5
135.04364	1.1
135.08029	3.6
135.11671	32.4
137.05943	1.8
137.09579	2.9
141.06920	1.3
142.07784	2.2
143.08574	2.6
145.06454	2.4
145.10110	12.4
147.08037	3.8
147.11674	10.2
149.06047	1.6
149.09612	5.8
149.13231	1.2
151.11179	1.7
153.12703	4.4
155.08525	2.4
157.10121	11.1
159.08029	1.6
159.11693	1.9
161.05902	1.0
161.09558	1.4
163.11157	10.3
163.31581	1.1
165.12720	3.5
165.96011	1.3
167.08539	1.4
171.11676	1.5
173.04439	2.5
173.09666	1.9
173.11711	1.3
173.13280	1.4
175.07722	1.1
175.11172	9.9
181.12224	13.5
183.06538	2.0
187.11211	1.5
189.11121	1.7
191.10646	5.5
193.12212	27.0
205.12199	1.2
209.11739	1.5
211.13260	45.3
211.15253	2.3
227.12729	8.3
229.14331	1.4
231.13554	1.0
237.14824	1.8
253.14272	2.1
255.15881	10.9
267.15909	9.0
273.14679	1.9
277.14340	1.2
281.05710	1.0
283.15479	2.8
285.16916	3.9
289.14398	1.3
301.14264	1.2
307.15414	1.9
321.16870	1.2
325.16446	3.5
337.16443	3.5
355.17581	7.9
355.22037	1.7
363.18002	2.0
373.24173	1.7
381.19012	4.0
393.19122	1.4
399.20010	1.3
403.24432	1.2
411.20340	4.6
421.25824	2.8
439.27133	5.1
447.27271	14.4
465.28430	16.1
555.30200	1.2
573.30377	2.3
591.31317	7.8
596.30591	1.0
609.32556	100.0
610.32434	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	609.2696
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
52.93169	0.4
55.01857	0.6
55.05499	2.0
60.32368	0.4
64.40044	0.4
66.27885	0.5
67.05499	3.9
69.07054	2.1
71.08611	0.4
71.63194	0.6
79.05488	3.8
81.07040	4.7
83.08602	0.6
91.05471	2.9
93.07042	4.3
95.04955	0.9
95.08599	3.4
97.06537	0.7
97.10177	0.8
105.07014	3.2
107.04980	0.6
107.08591	2.9
109.06555	0.5
109.10134	2.0
117.07018	1.4
119.08576	3.1
121.10132	1.6
123.11655	0.5
125.09655	0.4
126.92911	0.4
128.34419	0.4
129.06958	1.0
131.08598	2.4
133.10133	1.6
135.11678	1.0
143.08577	1.1
145.10120	2.1
147.11687	0.6
149.09648	0.5
149.13251	0.7
155.08498	0.6
157.10065	0.9
159.11697	1.5
161.13234	0.5
163.14760	0.6
169.10083	0.6
171.11734	0.6
179.14294	0.6
185.13347	0.5
197.13229	0.4
213.24899	0.4
257.18939	1.9
260.95764	0.5
275.20120	2.7
331.22598	0.6
335.26050	0.6
367.42361	0.4
391.19028	0.7
403.19141	0.8
405.21161	0.9
415.19391	1.0
418.22003	0.6
419.18127	0.8
419.22919	0.9
421.34805	0.5
429.20981	2.6
431.18399	1.0
433.23877	1.4
443.22543	1.5
444.23083	1.3
445.19598	1.1
447.22723	2.0
449.23511	1.6
458.25162	0.6
459.21161	2.8
460.22723	2.3
461.23276	3.2
462.20441	1.9
463.21420	0.9
468.37140	0.6
471.21875	0.6
472.22644	1.5
473.23480	1.0
474.24496	0.5
475.25305	0.9
476.21979	1.9
477.22900	2.0
485.23294	1.3
487.24930	3.1
489.22818	1.3
492.25967	0.7
503.24396	1.8
507.24356	0.4
519.23920	1.7
521.21295	2.8
531.23859	24.0
532.24548	1.9
549.24896	14.7
550.24585	0.7
563.26465	1.2
591.26001	2.9
595.05115	0.5
609.26978	100.0
609.44745	8.4
610.27350	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	609.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29754	0.7
70.83502	0.6
71.61643	0.9
90.54410	0.6
91.58664	0.7
97.02837	1.0
98.21249	0.8
177.00935	0.9
208.99397	0.8
219.01994	1.1
234.99973	3.9
237.00014	0.7
240.98911	1.4
258.99969	13.7
260.00073	2.4
261.00171	1.5
261.03079	2.4
262.03177	1.2
264.99078	2.6
277.00986	21.0
278.01248	2.2
279.00839	2.5
282.99945	49.3
284.00217	4.7
284.99716	3.5
301.01013	100.0
302.01126	9.2
303.00833	7.5
304.00992	1.8
314.95865	2.0
315.95993	1.0
316.95767	5.3
316.98975	1.3
317.99350	0.8
318.98837	1.4
319.02045	6.3
321.01953	0.8
324.02563	2.5
325.02594	1.2
329.10004	0.7
340.95654	1.1
356.97058	2.4
357.96988	2.6
358.96552	8.9
358.99979	1.4
360.00323	1.1
360.99963	2.1
374.95056	0.8
396.95215	0.8
398.94403	4.8
401.01031	4.2
402.01306	2.6
403.01019	2.3
406.99869	4.1
410.56744	0.7
414.95840	1.2
416.95432	3.7
418.98566	1.9
425.01138	15.0
426.01233	2.2
427.01199	1.9
439.96216	1.2
440.96082	2.5
441.99020	2.7
443.02368	57.4
444.02307	9.7
445.02414	4.7
446.01929	1.9
458.96902	4.1
466.03687	3.3
467.02768	1.3
482.97003	2.1
485.01877	2.3
499.98230	1.9
500.98117	11.8
501.97992	1.6
524.98267	3.5
541.99878	1.2
542.98969	9.5
543.99048	2.2
549.01263	24.2
550.01398	3.7
560.46484	1.1
567.02313	58.8
568.02429	7.2
569.47156	1.1
585.00330	4.1
590.03735	4.0
591.03094	1.5
609.00311	21.9
609.99890	2.6
627.01239	18.5
628.00482	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	608.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.0
55.01860	13.6
55.05499	35.6
57.03415	10.7
65.03939	4.3
67.05494	99.5
68.05800	5.2
69.03432	4.6
69.07050	41.4
69.53987	34.9
71.04987	5.8
79.05482	93.2
81.03418	23.4
81.07046	100.0
82.07360	4.5
83.04965	17.1
83.08611	20.5
85.06522	4.9
91.05467	97.2
93.07027	97.1
95.04940	25.1
95.08594	57.8
97.06487	24.9
97.10160	9.1
102.00870	4.9
105.07013	60.4
107.04955	17.4
107.08580	40.0
109.06514	11.0
109.10133	11.6
110.66420	4.6
111.08030	5.7
117.07007	25.8
119.08585	45.4
121.06467	6.9
121.10124	20.3
125.09608	5.8
128.06140	5.7
129.06995	18.8
131.08556	20.6
133.10100	39.0
135.08015	4.9
135.11659	19.5
143.08534	13.3
145.10110	28.9
147.08084	5.2
147.11691	37.1
149.09612	14.9
149.13252	12.5
157.10110	7.3
159.11673	13.5
161.13199	12.6
163.11136	13.4
165.12730	5.4
169.10107	7.6
171.11667	35.0
173.13217	5.6
179.14211	5.9
185.13135	5.3
189.12749	12.9
207.13766	29.3
222.44849	4.5
247.20615	4.3
253.14455	6.7
255.15982	8.5
257.18991	12.4
269.17493	13.5
275.19980	27.3
281.17456	63.0
304.41913	4.4
349.23630	25.1
367.24796	6.2
461.28979	33.5
475.30493	89.6
555.36877	30.3
573.37152	6.8
608.34827	17.4
608.43591	54.3
609.26801	11.4
612.70679	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	608.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.7
55.01862	2.5
55.05501	6.8
55.53117	0.6
56.05013	2.8
57.03423	2.2
57.07057	1.4
57.56905	0.7
60.04507	2.0
67.05495	21.1
69.03423	5.3
69.07055	6.2
70.06573	0.8
71.04979	4.9
79.05051	1.2
79.05481	16.9
80.05002	2.1
81.03405	8.8
81.05766	1.8
81.07047	20.3
82.06561	3.4
83.04986	3.7
83.08605	3.9
85.02870	3.1
85.06523	3.0
87.04446	3.0
91.05466	8.4
93.07030	26.6
93.07619	1.4
94.06554	17.8
95.04963	5.1
95.08591	29.8
96.08114	4.4
97.02866	2.1
97.06521	7.3
97.10151	2.8
99.04445	1.1
99.08072	1.0
103.05466	0.9
105.07010	15.5
107.07368	3.2
107.08558	3.3
109.02844	2.1
109.10125	6.1
110.09686	9.2
111.04463	1.2
111.07348	1.3
111.08063	14.1
111.11687	1.2
113.05932	0.8
119.08556	2.9
121.06510	0.8
121.10130	2.5
122.09649	37.4
123.08047	30.0
123.11694	2.1
125.09641	1.4
127.03884	1.1
128.10696	32.7
129.06961	0.9
129.11069	0.7
131.04915	1.1
131.08551	2.2
133.10095	2.2
135.08009	0.8
135.11667	3.5
137.09560	0.8
137.13277	0.9
140.10680	100.0
141.09077	17.3
141.10910	1.0
145.10112	2.1
147.11661	1.6
151.10947	0.6
157.10104	0.8
158.11746	8.5
159.08089	0.8
159.11580	1.1
163.11171	1.4
167.07013	1.6
175.11076	1.2
187.11206	1.0
193.12212	2.2
207.21033	1.2
211.13164	3.3
225.22156	1.8
252.23306	1.0
255.15871	1.0
270.24249	10.1
270.26959	1.2
288.25250	0.9
296.25650	1.4
362.30435	1.3
374.30530	1.2
380.31467	8.9
392.31558	9.5
410.32590	78.5
411.32822	2.0
428.33655	65.9
429.34039	2.4
447.27213	1.3
459.05133	0.7
465.28229	1.1
493.28934	0.7
554.43243	0.9
562.01459	0.7
591.31335	0.9
609.23145	1.2
609.32349	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	608.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01862	5.2
55.05498	4.8
56.05021	3.1
57.03425	1.7
57.07058	1.1
58.77379	0.8
60.04516	1.8
65.03930	1.6
67.05495	17.0
68.05004	0.8
69.03073	0.9
69.03423	12.8
69.07066	6.3
70.06567	0.8
71.01325	1.7
71.04964	2.5
73.02916	1.1
74.09707	1.7
79.01858	1.0
79.05481	14.3
80.05000	2.0
81.03404	5.3
81.05798	1.9
81.06573	1.1
81.07047	19.5
81.45666	0.7
82.06564	4.3
83.04965	1.8
83.08601	4.8
85.02887	7.0
85.06527	3.4
85.66549	0.7
87.04457	4.2
91.05463	6.6
93.06456	1.6
93.07031	24.6
94.06552	16.6
95.04963	4.4
95.08593	30.9
96.08119	3.5
97.02879	11.4
97.06521	7.4
97.10152	2.7
97.98200	0.9
105.07018	13.7
106.06523	0.8
107.04938	1.3
107.07315	2.7
107.08562	3.2
109.02863	2.6
109.06524	1.1
109.10125	5.9
110.09669	10.5
110.10397	1.5
111.08062	16.0
111.11686	1.8
115.03915	4.6
116.40276	0.7
119.08525	2.1
120.08047	1.0
121.10146	1.3
122.09647	35.1
123.08050	28.2
123.11696	2.6
125.02322	2.0
127.03902	3.1
128.10698	35.6
133.10118	2.1
135.11685	1.6
137.05896	1.0
137.13231	1.3
140.10683	100.0
141.09091	16.7
141.10849	1.0
143.03416	2.1
145.10147	0.9
147.11682	1.1
149.13194	0.8
151.07526	1.3
153.01808	48.7
158.11737	8.6
161.09666	0.9
163.11151	0.8
171.02859	2.7
184.07256	1.3
207.21046	1.5
225.22130	1.8
270.24246	5.2
285.06018	28.8
285.09244	1.6
285.98172	0.8
286.06210	1.6
288.25247	3.8
374.30426	1.3
380.31558	8.7
387.56320	1.0
392.31540	8.1
410.32596	79.1
428.33652	55.4
477.64365	0.8
607.60706	0.9
608.35687	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
53.93831	0.5
55.01869	0.5
55.05488	0.6
56.28274	0.5
57.03424	1.4
58.06594	0.7
58.46262	0.5
60.42069	0.5
60.62968	0.5
65.88778	0.4
67.05481	1.2
69.03428	2.6
69.07052	0.6
69.34226	2.2
69.34651	2.3
70.28588	0.4
71.04983	37.5
73.02900	0.5
75.04470	0.8
79.05453	1.0
81.03405	3.2
81.07043	1.3
83.04939	0.7
85.02901	3.3
85.06538	7.1
85.07018	0.8
90.05541	2.9
91.05492	0.7
93.07006	0.7
93.93552	0.4
95.04979	2.3
95.95100	0.5
97.02894	2.6
97.06531	0.4
99.04430	1.7
99.24681	0.4
105.07014	5.5
107.04942	0.8
107.08601	1.1
109.02872	2.6
109.10142	0.9
113.05997	6.9
115.28781	0.4
117.06999	0.7
121.06546	0.7
121.10150	0.8
123.04437	0.7
127.03921	4.8
127.07545	18.9
131.07022	12.2
131.08524	0.7
133.06488	13.5
137.05963	21.3
141.05435	0.7
142.08673	0.6
145.08582	100.0
146.08952	0.6
149.05959	0.6
151.07465	0.7
155.06995	1.4
159.11668	0.5
161.05914	0.9
163.07574	2.2
165.09114	8.8
167.07031	1.8
173.08118	2.8
175.07556	1.0
181.08578	0.9
183.10146	8.2
187.05948	0.6
189.09004	0.7
191.09114	15.3
191.10797	0.9
202.10721	1.0
203.10641	0.7
207.10098	0.5
209.07997	0.4
220.11783	6.4
221.11752	1.7
239.12718	1.0
244.56339	0.5
257.13812	29.4
258.14224	0.6
273.11069	0.5
281.13840	0.8
287.05637	0.6
299.11176	1.7
317.12231	2.9
324.38379	0.6
335.13318	9.2
347.14813	3.5
365.15717	0.5
410.31726	0.5
609.24573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.1
55.01862	5.4
55.05500	20.3
57.03435	7.8
57.07069	1.9
59.04974	1.0
65.03928	2.5
66.56950	0.8
67.05492	58.5
67.95512	0.8
69.03414	11.9
69.07057	20.4
71.01343	1.5
71.04982	6.4
71.62192	1.1
73.02904	1.3
77.03889	0.8
79.05479	35.9
81.02911	1.5
81.03404	53.1
81.07041	74.9
83.04964	11.8
83.08610	13.5
85.02898	6.7
85.06529	4.1
87.16305	0.8
91.05465	30.3
93.07029	56.0
95.04947	10.8
95.08590	20.2
95.09155	1.5
97.02885	11.5
97.06511	11.0
97.10136	2.1
99.04438	4.1
99.08073	2.4
103.05447	1.0
105.04441	1.0
105.07011	16.3
107.04954	5.8
107.08578	28.6
107.09276	1.9
109.02858	10.1
109.05812	1.3
109.06471	5.2
109.10134	7.1
111.04428	5.4
111.08031	5.8
113.06007	1.3
115.05392	1.1
117.07012	11.3
119.04921	0.9
119.08557	10.8
119.21591	0.8
121.06474	4.8
121.10126	15.7
123.04408	1.1
123.08064	2.5
123.11710	4.6
125.06023	1.3
125.09649	1.9
127.03896	9.1
127.07575	1.4
128.70016	0.8
129.05492	1.2
129.06993	4.7
131.04929	1.1
131.08537	11.5
131.37790	0.8
131.48041	0.9
133.06479	3.0
133.10101	12.6
135.08086	3.4
135.11684	8.5
136.06163	1.1
137.05994	1.2
139.11133	0.9
141.06932	0.9
143.08521	1.5
145.06488	2.3
145.10133	3.6
147.08075	2.6
147.11647	8.5
147.12601	0.8
149.05952	0.9
149.09624	2.1
149.13243	20.5
151.11194	3.1
155.08589	1.8
157.10135	3.4
159.08054	1.3
159.11671	10.0
163.11205	2.8
164.32655	1.0
165.12773	3.5
167.14410	1.0
169.10249	1.1
171.08031	0.9
171.73776	0.8
173.04463	1.4
173.09647	1.8
173.13301	1.3
175.11177	1.9
177.12720	5.3
181.10155	1.0
183.06625	1.9
185.13292	1.5
191.10773	1.3
193.12225	1.4
195.13789	16.0
197.13319	1.2
211.14856	1.4
213.14920	3.2
219.13844	1.3
227.12775	2.1
233.15344	1.3
249.14801	1.6
251.16307	1.2
253.17943	1.8
257.15414	1.0
261.14893	1.8
267.15881	4.0
269.17419	13.3
273.18616	1.8
275.16379	1.1
285.14755	1.8
291.19537	1.4
293.17523	1.1
297.17099	3.1
299.15121	1.4
303.15863	2.2
310.01132	1.0
321.17087	3.4
339.17944	15.6
359.18686	1.0
365.23541	0.9
377.19836	1.9
395.20547	13.5
411.20276	1.7
445.29797	2.6
463.30548	13.8
517.31219	1.0
555.19928	1.0
589.33398	5.0
607.34760	100.0
608.34857	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	607.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01867	5.3
55.05502	16.6
57.03433	5.7
57.07064	2.2
65.03925	3.4
67.05494	54.1
67.22803	0.8
68.54359	0.8
69.03423	13.7
69.07056	18.6
71.04980	5.9
71.62224	1.6
73.02913	0.9
77.03904	0.8
79.05482	36.3
81.03405	52.1
81.07043	71.5
81.76550	0.8
83.04967	13.9
83.08611	12.6
85.02880	8.1
85.06530	3.5
87.04421	0.8
91.04882	1.3
91.05463	32.7
93.07029	46.3
95.04954	11.4
95.08592	19.3
97.02863	8.7
97.06519	9.8
97.10142	2.0
99.04439	3.7
99.08103	1.9
103.05454	0.9
103.37158	0.8
104.13033	0.8
105.07015	19.1
107.04949	6.1
107.08575	25.5
107.09279	1.6
109.02862	10.3
109.06496	5.8
109.10133	7.3
111.04417	6.2
111.08062	5.6
115.05438	1.3
117.06990	10.8
118.87202	0.7
119.08578	11.5
121.06484	5.3
121.10121	14.4
123.04389	1.0
123.08070	2.4
123.11665	4.9
125.09629	1.8
127.03905	5.3
127.07549	0.9
128.06250	1.5
129.06989	5.4
131.04881	1.1
131.08534	13.0
133.06458	2.8
133.10112	12.9
135.08015	2.4
135.11673	8.9
137.05939	1.1
137.09610	1.5
137.13258	1.0
139.11157	0.9
141.06944	1.7
143.08545	3.7
145.06487	1.2
145.10091	4.3
147.08037	2.3
147.11668	10.0
149.05945	1.2
149.09601	2.5
149.13232	16.4
149.14343	1.2
151.11168	1.7
153.05473	0.9
153.09074	0.8
155.08548	1.9
157.06473	1.1
157.10123	3.7
159.08078	1.3
159.11655	10.9
161.09558	1.7
161.13272	1.4
163.11192	2.8
165.12746	3.1
167.08575	1.4
169.10092	1.4
171.11722	1.7
173.04437	2.6
173.05910	1.3
173.09604	1.6
173.13174	1.9
175.11266	1.6
175.14897	0.9
177.12717	7.9
183.06519	1.3
183.08054	1.0
183.11755	1.7
185.13237	1.0
187.11308	0.9
187.14980	0.8
191.10678	0.9
193.12285	2.2
195.13756	14.9
207.13835	1.0
213.14867	3.3
215.14352	1.0
219.13756	1.5
227.12740	0.9
229.14229	1.3
233.15381	1.8
237.14774	0.9
257.15390	1.0
261.14981	1.4
267.15848	4.7
269.17426	11.2
275.16446	1.6
275.20245	1.5
283.15485	1.1
285.14587	1.6
291.19461	1.3
297.16684	1.4
303.15976	2.9
311.18918	0.9
321.17017	3.0
339.17990	9.7
353.25107	1.2
377.19440	4.2
395.20612	14.5
396.21301	1.1
397.05707	0.9
400.98737	1.0
421.25714	1.0
445.29523	4.5
463.30582	10.5
479.30063	1.5
487.30423	1.0
533.31055	0.9
553.31830	1.0
571.32385	1.8
579.59412	0.9
589.33398	6.4
607.34668	100.0
608.34882	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	607.2903
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
52.75672	0.1
53.94413	0.1
71.35655	0.1
71.35992	0.1
86.27995	0.1
91.26640	0.1
95.60476	0.1
172.62314	0.1
207.71532	0.1
295.01801	0.1
376.18079	0.1
388.16843	0.2
389.17593	0.2
398.87985	0.1
401.17764	0.1
402.18292	0.3
403.19196	1.0
404.19888	0.3
405.20773	0.4
415.19702	0.2
416.20233	0.2
417.21176	1.0
418.21606	0.6
419.22348	0.9
420.23288	0.1
429.21173	0.2
430.17136	0.2
431.18094	2.6
432.18231	0.5
432.23495	0.3
433.23880	4.5
434.24509	0.5
444.18695	0.2
445.19534	2.9
446.20703	1.9
447.21573	1.7
447.26755	0.1
449.23340	0.2
457.20236	0.1
459.21152	2.1
460.22430	7.5
461.23270	9.2
462.23648	0.4
473.23578	1.8
474.23965	0.7
476.21899	0.1
477.22757	0.3
487.25116	1.1
488.25656	0.4
489.23108	0.2
491.19965	0.2
491.25464	0.2
492.24997	0.6
493.68903	0.1
504.25620	0.1
505.21500	1.3
506.27133	0.2
515.24261	0.4
518.22601	0.2
519.27142	1.3
532.24475	0.7
533.25476	0.3
547.26947	36.1
548.27380	1.2
564.27289	0.1
575.26343	0.9
578.25269	0.2
579.29535	0.9
592.26343	0.1
607.29004	100.0
608.29388	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03935	5.4
55.01870	2.5
55.05258	1.0
55.05504	14.1
57.03434	4.9
57.07064	1.5
59.04993	0.9
64.74309	0.8
65.03931	2.1
65.26585	0.7
66.30538	0.7
67.05498	47.2
67.11193	0.7
67.57730	0.7
69.03416	12.1
69.06711	1.3
69.07059	16.0
69.54204	1.5
69.54603	6.4
70.62907	0.7
71.04976	6.2
72.24335	0.8
73.02915	1.2
79.05483	32.6
81.03408	47.6
81.07047	63.2
83.04973	10.8
83.08615	10.7
85.02901	5.0
85.06503	3.6
91.05472	23.7
92.12109	0.8
93.07032	41.7
95.04950	8.8
95.08596	19.9
95.09226	0.9
97.02886	8.1
97.06522	9.3
97.10165	1.8
99.04448	3.3
99.08081	2.8
105.07018	15.2
107.04952	3.4
107.08578	22.4
107.09283	1.3
109.02874	7.7
109.06519	2.8
109.10120	4.0
111.04427	6.5
111.08074	3.3
113.09673	1.0
115.05450	1.3
117.06993	10.0
119.08575	6.8
121.06500	3.1
121.10131	12.7
123.04411	1.7
123.08075	2.7
123.11707	3.2
123.28957	0.7
125.09626	0.9
127.03895	5.5
128.06241	1.1
129.07030	2.8
131.04919	1.4
131.08571	9.1
133.06447	1.8
133.10103	8.9
135.08067	2.6
135.11653	7.0
136.06154	5.7
137.05997	1.0
137.09639	1.1
139.11148	1.0
141.06961	0.9
143.08521	1.9
145.06471	1.5
145.10130	3.4
147.05664	0.9
147.11668	7.5
149.09628	2.0
149.13237	16.5
151.11143	1.1
155.08528	1.0
157.10104	1.6
159.08014	1.0
159.11665	9.7
163.11169	1.8
165.12798	2.9
171.11685	1.1
173.04494	1.0
173.13269	1.1
175.11165	0.9
177.12718	7.7
181.12341	0.9
183.06563	2.2
183.13878	0.8
195.13788	14.8
213.13031	0.9
213.14787	4.1
217.12236	1.0
219.13716	1.0
227.12717	1.3
229.14345	0.9
237.14853	0.9
237.23277	0.7
261.14825	1.2
267.16013	2.7
269.17432	10.5
275.16476	1.6
285.14679	1.8
287.16437	0.9
291.19641	0.9
303.15878	1.5
321.16873	4.5
339.17963	10.2
348.07120	2.3
377.19565	3.4
395.20596	11.7
463.30493	11.4
479.30170	1.0
529.31329	0.8
533.30347	1.2
557.34619	1.3
571.32361	0.9
589.33948	3.0
607.34717	100.0
608.34906	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2899
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
70.06113	0.7
70.06503	0.8
76.52876	0.3
89.88536	0.3
94.29329	0.4
301.15744	0.4
386.16293	0.3
388.16464	0.6
389.17465	1.1
390.18323	0.4
396.64099	0.3
402.18350	0.9
403.19235	3.2
404.19913	1.3
405.20810	1.5
407.89978	0.3
415.19489	0.7
416.15332	0.4
416.19989	0.8
417.16125	0.7
417.21252	4.1
418.21536	2.3
419.22299	3.7
429.21133	0.4
430.17896	1.2
431.18185	9.8
432.18384	2.3
432.23917	0.7
433.24033	10.2
434.24719	1.5
444.19226	0.4
445.19705	10.4
446.20569	6.5
447.21588	7.0
449.23355	0.4
458.20926	0.4
459.21469	7.5
460.22440	19.2
461.23328	21.5
462.23651	1.0
472.22461	0.6
473.23532	5.7
474.24289	1.7
477.22620	1.2
487.24988	3.5
488.25809	0.8
489.22641	0.6
491.20038	0.8
491.25082	0.6
492.24951	1.5
504.25516	0.4
505.21619	4.5
506.26669	1.1
515.24402	1.5
517.22528	0.4
518.22662	1.0
519.24152	3.0
532.24634	1.3
533.25183	1.1
546.22540	0.4
547.26971	66.9
548.27228	1.1
564.27484	0.7
575.26367	2.0
577.24286	0.5
578.25519	0.9
579.30017	1.6
592.26617	0.7
607.29053	100.0
608.29340	4.2
635.08929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
53.27028	0.7
55.01861	2.4
55.05505	7.7
57.03421	0.9
57.07062	1.8
65.03932	1.3
67.05498	17.5
69.07056	13.2
69.27677	5.9
69.28083	2.4
77.03890	1.2
79.05486	14.8
81.03397	2.2
81.07050	21.2
82.07368	0.8
83.04971	3.3
83.08620	3.1
91.05470	25.0
93.07032	14.7
95.01315	4.3
95.04966	4.3
95.08588	14.3
97.06538	5.7
97.10155	1.3
105.07015	31.9
107.04932	6.2
107.08577	8.7
109.06494	1.9
109.10140	4.0
111.08089	1.5
115.05441	1.4
117.06982	8.9
119.08567	16.0
121.10153	5.0
123.08051	0.8
123.11736	1.5
125.09628	1.8
128.06192	1.1
129.06996	5.0
131.08534	12.5
131.09486	0.9
133.10121	16.6
135.08070	0.9
135.11702	3.2
137.13257	0.8
141.06970	1.4
142.07748	0.9
143.08537	4.4
145.10103	8.9
147.11667	8.9
149.09631	1.6
149.13309	2.1
151.11269	1.1
155.08586	2.2
157.10159	3.4
159.11658	6.7
161.13257	3.8
163.11235	1.6
169.10132	1.8
171.11707	3.0
173.13245	3.3
175.14873	1.0
177.12740	1.4
179.14285	4.4
179.85307	0.9
181.10097	1.1
183.11665	2.3
185.13266	3.0
187.11197	1.3
187.14850	1.1
193.10127	1.1
195.11696	1.3
195.13751	1.1
197.13326	1.0
199.14813	1.8
201.16481	1.3
209.13350	1.4
211.14864	1.2
223.14922	1.0
231.21146	0.9
239.17966	0.9
241.19405	3.6
257.19034	2.3
259.20621	3.3
273.18460	1.3
275.20029	22.2
276.20419	0.9
293.21289	2.2
315.23157	7.1
349.23782	4.2
389.17752	2.6
390.18411	1.1
402.18967	1.3
403.19397	5.5
404.19879	2.7
405.20862	3.5
416.15765	1.1
417.17029	3.4
417.21658	1.5
418.17322	1.2
419.22449	6.1
430.17880	1.1
431.18149	6.0
432.19510	2.4
433.20361	2.8
445.20193	6.4
446.20969	5.4
447.21625	7.9
459.17715	1.6
463.24963	1.5
474.20428	9.5
475.21075	9.6
487.21274	1.7
490.23813	1.5
501.22748	2.2
515.38574	0.9
519.23938	10.2
520.24188	1.2
533.40283	1.1
547.23322	52.8
548.23822	2.9
561.24725	1.0
579.25806	4.4
589.24213	1.5
607.25458	100.0
607.43262	40.9
608.26007	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	607.254
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
69.70734	0.8
69.71152	0.4
71.08623	0.2
75.38864	0.2
81.07057	0.3
83.08626	0.2
163.21854	0.2
168.08078	0.2
183.02193	0.1
199.82304	0.2
207.09178	0.3
209.10754	0.2
221.10677	0.3
223.12219	0.2
228.06844	0.1
235.12386	0.2
251.11780	0.3
261.10022	0.2
263.11990	0.2
272.12155	0.2
312.14899	0.2
324.14902	0.2
352.14264	0.2
374.15491	0.2
375.16171	0.5
376.16983	0.3
387.16135	0.4
388.17053	0.7
389.17584	2.0
390.18402	0.9
391.19244	0.8
392.19849	0.2
401.17813	0.6
402.13910	0.2
402.18915	1.0
403.15414	0.6
403.19528	3.3
404.19983	1.7
405.20721	2.5
407.22284	0.4
415.19778	0.3
416.15436	0.7
416.20776	0.3
417.17059	3.0
417.21094	1.8
418.17236	0.6
418.22260	1.1
419.22430	5.2
420.23053	1.2
429.16522	0.2
430.17950	0.7
430.22867	0.2
431.18222	6.4
432.19119	3.3
433.20041	3.5
434.20963	0.3
435.22336	0.2
443.18488	0.5
444.19318	0.5
445.20087	4.4
446.20963	6.3
447.21652	7.7
448.22308	0.9
448.28073	0.2
457.20609	0.2
459.17087	0.5
459.21738	1.7
460.18668	0.7
460.23419	0.3
461.19455	1.8
462.24152	0.5
463.21176	0.6
463.25690	0.3
473.19681	0.8
473.24100	0.5
474.20377	4.9
475.21085	4.6
475.82874	0.2
476.21689	0.4
477.22693	0.6
478.23560	0.9
479.24329	0.2
487.21332	1.4
488.22055	0.4
489.23453	0.2
490.23428	0.6
491.19861	2.5
501.22855	1.3
502.23398	0.2
503.24646	0.3
504.21695	0.5
505.22272	0.7
506.23328	0.5
517.21930	0.2
519.24011	17.1
520.24445	0.8
529.22247	0.5
547.23291	13.6
548.23730	0.8
550.22150	0.2
551.26343	0.7
561.24884	0.3
573.48468	0.2
579.25916	5.7
580.26447	0.3
589.24255	0.3
607.25415	100.0
608.25720	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01855	12.5
55.05510	24.8
57.03419	8.4
57.06818	3.5
57.07071	43.1
65.03941	3.5
67.05496	59.7
69.07059	31.1
71.04984	2.7
71.08623	28.5
71.63281	3.2
79.05485	38.5
81.07046	82.9
83.04958	5.0
83.08601	25.0
85.06489	3.5
85.10165	17.0
91.05465	36.0
93.07028	33.6
95.04953	6.4
95.08598	50.0
96.08952	2.3
97.06502	17.6
97.10152	13.7
99.08099	3.2
105.04433	1.9
105.07017	41.5
107.04932	15.0
107.08570	35.8
109.06498	14.5
109.10135	29.6
111.08054	3.7
117.07003	10.2
119.08559	28.2
121.06497	3.5
121.10119	15.2
121.92221	1.8
123.08072	4.9
123.11680	12.9
125.09601	8.8
129.07036	3.0
131.08553	14.4
133.10126	19.1
135.08029	5.7
135.11661	8.2
135.88876	2.1
137.09624	4.4
137.13269	3.5
143.08481	4.5
145.10080	20.4
147.08058	2.4
147.11674	20.1
149.09616	23.1
149.13245	4.1
157.10040	4.9
159.11673	9.2
161.13240	4.6
163.11166	10.0
165.12708	2.3
169.10103	3.7
171.11600	4.3
173.13243	5.6
175.14723	2.4
177.12659	3.5
185.13228	3.3
189.11174	5.5
227.12762	14.9
239.17941	4.3
239.23660	7.7
247.20581	4.2
257.18939	15.9
267.15704	2.2
275.20026	100.0
293.21158	10.4
313.27301	65.3
315.75073	2.5
331.22644	4.7
349.19669	3.9
349.23663	46.5
350.23819	2.1
483.36865	2.9
526.02454	2.4
587.46680	47.9
588.46332	3.2
605.48175	50.2
606.47723	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	605.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22025	2.1
53.03934	10.4
55.01870	13.8
55.05257	2.8
55.05505	33.7
57.03436	16.0
65.03925	6.4
67.05499	69.1
69.03419	20.2
69.07064	20.7
71.04979	8.4
77.03896	2.5
79.05478	62.8
81.02919	2.3
81.03408	81.8
81.07048	99.4
83.04988	17.0
83.08606	26.9
85.02901	18.4
85.06528	7.4
91.05472	64.0
93.07033	62.4
95.04959	51.9
95.08598	36.7
97.02878	11.2
97.06512	11.7
97.10157	14.8
98.21542	3.5
99.04476	4.4
103.03971	2.6
103.05454	3.4
105.07014	53.0
105.07670	4.9
107.04932	19.3
107.08592	32.0
109.02879	21.0
109.06519	9.6
109.10157	11.7
111.04417	12.4
111.08069	6.0
115.05441	7.2
117.06989	20.6
119.04953	5.2
119.08571	27.4
121.02838	4.8
121.06473	17.8
121.10142	20.8
123.04430	10.4
123.08090	8.4
123.11719	7.5
125.02409	3.5
125.09653	9.1
127.03899	10.8
128.06195	7.3
129.06972	18.1
131.04910	8.2
131.08565	30.3
133.06493	15.4
133.10138	18.4
135.04468	4.7
135.08029	13.5
135.11720	13.7
137.05974	6.4
137.09637	5.1
141.07014	7.7
142.07765	3.4
143.08563	17.2
145.06488	16.1
145.10110	13.5
147.04408	7.2
147.08055	10.9
147.11671	23.2
149.05989	7.9
149.09583	5.8
149.13211	11.2
151.07555	2.8
151.11261	3.2
153.09129	2.5
155.08545	7.5
157.06505	7.5
157.10118	13.5
159.08061	8.2
159.11667	12.3
161.05968	10.3
161.09604	8.2
161.13272	3.4
163.11230	12.3
165.06958	2.4
165.12752	5.9
167.08588	5.1
169.10118	7.1
171.08038	7.0
171.11691	5.5
173.04453	14.3
173.06003	6.1
173.09583	3.4
173.13237	3.4
175.07605	3.3
175.11232	10.5
177.12730	4.0
179.08545	2.7
181.10135	5.2
183.08142	4.6
183.11734	5.6
185.09639	4.3
185.13295	4.0
187.07538	5.8
187.11151	2.8
189.05521	7.5
189.11258	4.0
189.12811	3.6
193.12213	18.2
195.08075	2.6
195.11807	4.0
195.13889	8.1
197.13243	2.4
199.07501	2.5
205.12326	2.8
211.11574	2.7
211.13150	12.9
211.15056	2.8
213.12733	3.9
219.13966	2.8
223.13318	3.8
227.12733	3.8
229.30696	2.4
231.13718	4.5
235.13322	3.4
245.15637	4.0
247.13304	3.2
249.14925	3.1
254.30750	2.4
255.13832	6.0
257.15277	5.6
259.13297	6.0
267.15829	12.8
269.17419	24.9
271.13251	3.5
273.14786	23.7
279.15781	2.4
283.13348	4.7
285.14636	4.9
301.14294	29.4
303.15894	6.9
319.15341	16.2
321.17010	4.6
325.18127	2.8
339.18280	3.3
375.18094	7.8
377.19565	5.2
393.19153	9.0
395.20773	4.4
443.27933	6.7
449.27188	3.4
459.25473	3.8
461.28986	8.0
477.26773	2.9
479.30228	4.0
483.27704	3.0
485.29184	3.3
495.27560	4.1
513.28918	3.6
524.48102	2.8
527.29950	5.6
531.29517	3.6
541.32050	4.2
545.31110	4.2
551.30066	6.4
557.31036	10.0
569.30927	32.6
587.32129	40.8
588.32068	2.8
605.33209	100.0
606.33313	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	605.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.2
54.52861	1.9
55.01863	11.1
55.05501	30.5
57.03433	10.7
57.07063	2.9
61.02928	1.8
65.03925	6.8
67.05495	73.5
68.50495	1.5
69.03416	24.2
69.07061	25.3
71.04974	6.4
71.62605	2.9
75.40503	1.9
77.28769	1.5
79.05484	62.1
81.02908	2.2
81.03406	91.0
81.07047	99.2
83.04967	16.9
83.08602	24.5
85.02892	19.5
85.06515	5.0
91.05466	65.8
93.07029	53.4
95.01301	3.0
95.04956	49.7
95.08588	34.3
97.02882	16.8
97.06533	13.5
97.10150	16.7
99.04424	5.9
99.08045	2.9
103.03895	2.6
103.05466	3.5
105.07013	49.9
107.04947	20.9
107.08580	38.4
109.02864	28.2
109.06481	10.8
109.10143	13.3
111.04442	13.6
111.08086	9.7
113.79007	1.8
115.05450	7.0
117.06995	23.3
119.04944	6.4
119.08550	25.2
121.02857	4.8
121.06469	14.7
121.10121	23.0
123.04435	9.3
123.08082	4.5
123.11692	6.8
125.02319	3.3
125.09618	10.9
127.03889	9.4
127.41319	2.0
128.06209	4.8
129.06976	20.3
131.04921	7.7
131.08543	26.2
133.06477	10.5
133.10110	19.8
135.04468	3.8
135.08060	8.0
135.11656	11.7
137.05966	7.0
137.09615	4.7
139.07561	1.8
141.06931	8.5
142.07756	3.0
143.08543	13.0
145.06464	17.2
145.10121	15.7
147.04382	9.1
147.08064	12.2
147.11667	20.5
149.05975	7.1
149.09563	9.7
149.13252	13.5
151.03972	2.2
153.09105	1.7
155.08560	9.2
157.06480	8.2
157.10088	14.7
159.08054	7.9
159.11661	10.4
161.05991	10.4
161.09619	5.7
163.03885	2.3
163.07556	2.7
163.11197	5.6
165.06999	2.0
165.12746	6.2
167.08495	4.0
168.09392	2.1
169.06442	3.0
169.10100	3.5
170.26869	1.8
171.08066	6.4
171.11647	4.6
173.04417	9.6
173.05959	7.6
173.09599	6.3
173.13287	2.7
175.07593	2.9
175.11214	7.1
177.05371	2.2
177.12753	7.8
179.08545	3.3
181.10112	4.9
183.08102	4.4
183.11653	6.9
185.06061	2.4
185.09659	3.7
185.13235	3.9
187.07497	4.8
187.11151	3.1
187.14865	3.2
189.05447	8.2
189.09135	3.2
189.11195	3.3
189.12703	4.1
191.06990	2.7
193.10336	3.6
193.12260	14.5
195.08061	2.5
195.11740	4.6
195.13820	8.6
197.09634	2.4
197.13292	2.7
199.14952	2.2
201.12730	3.5
203.06950	2.1
203.10561	2.0
205.12259	4.1
207.13748	2.3
209.13260	3.1
211.11325	3.3
211.13155	13.6
213.12749	2.5
217.12233	3.1
219.13736	3.1
223.13248	2.4
225.12825	2.2
227.12616	3.7
231.13802	3.0
233.15428	2.2
235.13300	3.4
245.15508	1.9
247.13252	3.6
249.14638	3.5
255.13628	3.3
257.15372	3.4
259.13318	3.9
261.14801	4.2
267.13455	2.5
267.15823	12.2
269.17438	20.9
273.14813	19.0
275.16483	2.3
279.15967	2.8
283.13162	4.9
285.14777	6.4
289.14224	2.3
291.16074	2.1
297.17020	2.5
301.14246	24.7
303.15652	10.0
319.15302	14.0
321.17032	5.1
337.16385	3.3
339.18109	2.6
351.23154	2.2
357.16980	2.3
369.24374	2.3
375.18079	9.3
377.19562	4.2
393.18948	8.9
395.20486	4.6
443.08130	2.0
443.28024	5.9
461.29034	10.2
477.26163	2.9
479.29764	9.2
495.27036	3.4
513.28241	4.2
515.29681	3.0
527.29480	2.7
539.29889	3.2
541.31256	4.1
545.30615	3.5
551.29633	5.4
557.30920	4.6
569.30981	19.7
587.31970	33.7
588.32275	3.1
605.33075	100.0
606.33557	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	604.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03150	0.2
55.01864	0.2
55.05495	0.2
57.03427	0.2
57.07058	0.2
62.87556	0.1
65.03918	0.2
67.05478	0.6
69.03429	0.2
69.07048	0.3
69.38086	1.3
69.38496	0.2
69.89899	0.1
71.04981	0.2
78.04673	0.7
79.05479	1.2
81.03403	0.3
81.07047	0.9
83.00748	0.1
83.04976	0.3
85.02883	0.4
85.06524	2.1
91.04959	0.1
91.05460	0.8
93.07018	0.7
95.04940	0.5
95.08580	0.4
96.05756	0.1
97.02885	0.2
97.06527	0.3
103.05428	0.3
104.77122	0.1
105.07009	1.0
106.04165	0.6
107.04942	1.2
107.08579	0.8
109.02876	0.4
109.06500	0.3
109.10110	0.2
111.08118	0.1
117.13050	0.2
119.04938	0.2
119.08541	0.4
121.02936	0.2
121.06459	0.7
121.10126	0.5
122.03662	0.3
123.04403	3.1
124.05212	1.2
125.05956	0.3
127.03897	0.3
129.06937	0.2
131.08583	0.2
133.06456	0.8
133.10112	0.2
135.04384	0.3
135.08043	0.3
135.11682	0.2
137.05956	1.1
139.07521	0.2
140.04623	0.2
142.12170	0.1
145.10126	0.3
147.04393	0.7
147.08000	0.3
149.05997	0.8
149.09738	0.2
151.03885	0.5
151.07492	0.2
152.04668	1.2
153.01807	0.6
153.05527	0.2
153.08914	0.1
155.07043	0.2
159.11644	0.2
161.05995	0.7
163.07538	0.3
163.11115	0.4
165.09088	0.3
166.06125	0.1
167.07007	100.0
168.07361	1.9
168.08850	0.2
173.13306	0.2
175.07513	0.8
179.07007	0.5
181.04915	0.2
181.08574	2.1
181.12199	0.4
191.06885	0.2
193.08578	4.7
199.13290	0.3
207.13885	0.2
211.09621	12.7
212.09938	0.3
223.09589	0.5
229.14307	0.2
269.22543	0.2
275.19928	0.3
277.08591	0.2
293.21060	0.3
301.10724	0.2
317.11255	0.2
325.16544	0.2
329.13739	0.2
344.24283	0.4
347.14844	2.1
352.34909	0.2
385.16180	0.3
391.90277	0.2
506.29535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03434	0.8
60.08646	0.4
65.03915	0.5
68.02151	0.4
69.03419	0.9
69.07071	0.7
70.06573	0.8
70.08684	2.3
74.57022	0.5
79.05468	2.9
81.03369	0.5
81.07032	0.6
85.02887	2.6
86.09641	0.4
90.04708	0.5
91.05470	4.2
93.07056	1.0
95.04947	1.4
97.02850	0.8
99.04456	0.6
103.05464	2.4
105.07014	27.5
106.04171	1.3
107.04922	1.9
109.02851	0.7
109.06480	0.6
115.05425	4.6
118.04137	1.5
119.04923	3.1
121.06481	2.7
123.04443	0.7
123.08072	0.8
125.05966	0.6
127.03884	0.6
131.04921	1.9
131.07037	2.2
132.05670	0.8
133.06470	32.2
134.06850	0.4
135.08078	0.6
136.07538	0.7
137.05943	1.2
143.04997	0.6
143.06017	2.2
147.04366	1.5
149.05968	4.7
151.03864	0.6
151.07500	3.8
153.01787	1.5
153.05429	1.8
153.09029	0.5
160.05246	0.6
161.05954	77.7
162.06316	1.2
163.03777	0.8
163.07532	0.8
164.07094	1.3
165.05469	0.8
167.06995	6.2
173.05890	0.6
177.05460	3.2
177.07602	0.7
177.09077	0.5
179.07018	8.0
181.08569	2.8
191.06947	1.5
192.07837	1.6
192.71265	0.4
192.79831	0.4
193.08575	100.0
194.08830	2.1
197.08067	3.9
205.08553	0.8
209.08037	9.1
211.09677	1.0
223.09608	1.6
235.09631	0.8
357.13309	1.3
389.15964	2.3
407.16800	0.9
547.40906	0.5
604.25531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61980	1.4
53.03931	2.6
53.40240	1.6
55.01873	2.0
55.05501	4.8
57.03428	2.2
58.30910	1.7
67.05496	9.6
69.03423	11.9
69.07067	9.4
69.92036	8.4
71.04974	4.7
73.02886	1.9
79.05478	15.2
81.03409	17.1
81.07043	29.9
81.91794	1.4
83.04967	10.4
83.08577	2.6
85.02892	12.0
85.06520	5.6
91.05466	10.8
93.07030	36.0
95.04942	9.5
95.08586	13.1
97.02882	6.4
97.06509	22.4
97.38396	1.7
99.04434	12.8
101.05980	2.7
104.66518	1.6
105.07002	23.1
107.04925	6.1
107.08560	23.3
109.02859	29.2
109.06503	18.2
109.10128	4.9
110.03212	1.7
111.04408	4.5
111.08064	12.0
113.05968	1.8
117.06976	2.4
119.08581	14.1
121.06478	43.0
121.10114	6.6
123.04421	1.8
123.08063	6.4
123.11704	6.0
125.05981	9.4
127.03894	29.9
127.07523	11.7
131.00273	1.5
131.08534	4.9
133.06477	2.3
133.10072	12.8
135.04416	2.9
135.08047	12.4
137.05965	7.4
137.09601	2.1
138.09138	2.0
139.07542	12.4
142.07751	3.3
143.07005	8.1
143.08499	5.6
145.04900	2.1
145.10059	8.4
147.04332	1.6
147.08028	2.8
147.11661	39.7
149.05911	1.5
149.13275	3.0
151.07523	4.0
151.11194	3.5
153.01752	3.6
153.05389	2.6
153.09076	2.8
156.09334	3.1
157.08606	6.1
157.10104	15.6
161.09583	2.9
161.13213	6.9
163.07567	3.5
163.11151	2.2
164.07031	1.9
165.09076	2.0
165.12709	17.2
167.07021	15.3
168.07402	4.7
169.12189	6.9
171.11658	11.0
173.09612	4.6
173.13206	3.9
175.11169	28.4
179.06921	1.8
187.05890	9.4
189.12724	17.7
191.14307	1.7
193.12224	23.6
199.09471	2.6
199.11162	18.9
205.07069	3.4
207.13754	15.8
209.15282	2.1
211.09561	2.6
211.13277	19.1
215.10677	1.9
217.12189	58.2
218.12477	3.2
229.14319	6.8
235.13254	79.7
236.13608	3.1
251.12766	2.2
253.14302	100.0
257.13757	1.6
271.15390	15.4
271.75815	1.5
289.16354	4.7
295.15479	3.5
313.16486	3.0
319.15302	2.5
337.15985	2.1
343.15338	4.4
361.16415	6.8
379.17560	15.2
397.18536	21.1
415.19699	7.2
433.20679	3.2
543.60455	1.6
629.88519	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01860	11.1
55.05266	2.4
55.05509	31.5
57.03433	10.5
59.05016	1.3
61.96920	1.1
67.05496	41.5
69.03416	6.0
69.07056	15.5
71.04979	6.3
71.62888	2.6
79.05485	40.5
80.18748	1.2
81.03410	43.0
81.07045	42.4
83.04971	18.1
83.08601	18.9
85.02892	28.0
85.06524	3.0
91.05470	41.8
93.03410	1.4
93.07027	32.2
95.01289	2.0
95.04956	48.3
95.08593	21.9
96.08124	1.8
97.02902	4.1
97.06532	7.1
97.10163	18.4
99.04443	3.4
99.08092	2.4
101.02341	1.4
103.05443	8.4
105.03364	1.6
105.07013	28.0
107.04951	15.8
107.08582	21.3
109.02847	11.2
109.06506	7.3
109.10147	11.1
111.04424	10.5
111.08062	8.6
111.11568	1.3
111.87890	1.3
113.05992	1.8
115.05418	8.3
116.10711	4.2
117.06991	13.7
119.04940	6.0
119.08572	22.1
121.02837	9.6
121.06482	13.2
121.10131	11.8
123.04408	6.0
123.08049	6.4
123.11661	6.7
125.05981	2.1
125.09639	13.4
127.03893	5.0
128.06221	4.3
129.06996	17.3
131.04919	14.7
131.08571	17.5
133.06462	15.7
133.10086	10.9
135.04396	3.2
135.08015	8.8
135.11665	8.8
137.02333	4.5
137.05974	6.6
137.09608	3.0
141.06996	5.8
142.07726	1.9
143.08525	8.6
144.05704	2.9
145.06479	16.8
145.10106	10.4
147.04393	12.4
147.08029	10.8
147.11678	12.3
149.06020	6.4
149.09619	9.9
151.03897	2.1
151.07495	2.0
151.11188	2.2
153.01837	3.9
153.07013	2.9
153.09143	2.3
153.12753	2.2
155.08540	7.3
157.06473	8.2
157.10115	11.7
159.04419	2.1
159.08005	9.2
159.11739	5.6
160.05217	5.2
161.05963	20.0
161.09573	7.1
161.13168	1.6
163.03903	1.6
163.07532	1.6
163.11200	11.8
165.05441	1.8
165.06903	2.2
165.09210	1.6
165.12770	4.0
167.07042	3.6
167.08453	3.0
168.09454	1.3
169.06577	4.0
169.10127	3.9
171.04440	2.7
171.07982	8.2
171.11667	4.6
173.05971	28.3
173.09654	5.6
173.13242	2.2
174.06802	6.0
175.03931	3.0
175.07573	6.1
175.11148	6.2
177.05365	1.5
177.09152	1.4
179.08623	2.7
181.04997	1.5
181.06476	3.1
181.10109	3.4
181.12207	3.1
183.08060	4.5
183.11717	3.4
184.08911	1.5
185.06038	4.4
185.09628	4.0
185.13278	1.8
186.06822	3.9
187.03902	1.5
187.07544	15.8
187.11176	2.3
187.73647	1.4
189.05441	20.9
189.09175	4.6
189.11238	6.8
189.12639	3.2
190.06236	1.6
191.07042	2.2
191.10689	4.5
193.12225	17.4
195.08119	4.9
197.06091	2.6
197.09605	4.3
197.13271	1.4
199.07544	5.1
199.11232	2.7
200.08348	1.5
201.05457	3.7
201.09157	3.9
203.07028	5.0
203.10617	3.7
203.14198	1.7
205.12251	2.7
209.09703	2.4
209.11600	1.7
209.13425	1.6
211.07616	4.1
211.11266	2.3
211.13226	24.6
213.09007	3.0
213.12816	2.3
213.16747	2.3
215.07016	2.8
217.12250	2.5
223.11234	2.3
227.12593	7.3
229.08598	1.9
229.12303	1.8
235.13356	1.8
237.12692	2.4
239.14166	1.9
241.12268	2.7
243.13741	2.5
245.15353	2.1
247.13228	1.4
255.13795	11.4
257.15408	5.6
259.13193	2.2
267.15958	6.8
271.13422	3.0
273.14816	21.6
281.15363	1.5
283.13208	14.4
283.15918	2.0
285.14737	6.8
285.17395	14.3
289.14407	5.8
295.16925	2.6
297.14896	3.5
299.16571	3.7
301.14301	68.4
303.15997	4.7
311.16431	1.8
313.17877	3.0
315.15939	6.1
319.15396	9.8
323.16403	6.2
325.14331	3.5
329.17825	1.7
331.15552	2.7
341.17422	14.2
342.22699	2.4
343.15289	11.2
343.23123	2.9
344.23941	1.6
357.16895	5.6
359.18622	3.3
361.16364	1.9
375.17957	20.0
375.22293	1.9
387.29251	1.6
393.19089	5.4
399.17990	2.6
417.18848	1.7
423.30292	1.4
441.30551	2.0
447.25250	3.0
465.26102	2.6
475.24973	4.0
483.27426	1.6
493.25729	9.4
511.26816	12.2
525.28619	2.2
529.27991	2.2
539.30084	3.8
543.29517	12.5
549.28601	4.0
555.29395	4.6
557.30896	2.3
567.29449	25.7
573.30469	20.3
585.30524	100.0
586.30664	1.9
603.31586	98.1
604.31567	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3149
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03947	4.9
55.01867	8.0
55.05256	1.9
55.05504	25.2
57.03429	12.7
59.04992	1.4
67.05496	32.3
68.96846	0.9
69.03420	7.6
69.07055	8.8
70.44357	3.7
71.01337	0.8
71.04982	6.2
73.02915	1.2
79.05481	36.4
81.03407	58.4
81.07045	36.8
83.04967	15.2
83.08603	21.0
85.02889	25.3
85.06527	2.3
88.10932	1.2
91.05466	41.8
93.07031	27.8
95.01310	1.1
95.04958	44.8
95.08598	16.1
97.02868	5.1
97.06511	6.2
97.10156	15.2
98.20800	1.0
99.04427	2.1
99.08075	1.4
103.05449	4.9
105.03362	2.6
105.07016	29.7
107.04941	17.9
107.08580	15.7
109.02864	17.5
109.06503	9.2
109.10143	9.0
111.04433	11.5
111.08051	7.2
113.05979	1.9
114.15633	1.0
115.05434	9.4
116.10738	2.2
117.07001	16.1
119.04946	7.0
119.08559	22.0
119.09339	1.6
121.02871	6.1
121.06489	11.2
121.10114	12.7
123.04375	6.0
123.08108	6.0
123.11678	3.1
125.02428	1.4
125.05983	2.2
125.09603	10.8
127.03905	2.7
128.06215	3.9
129.05510	1.5
129.06989	16.2
131.04903	11.8
131.08554	14.8
132.05695	1.4
133.06477	13.7
133.10088	10.1
135.04401	3.4
135.08003	5.4
135.11691	5.7
137.02301	5.6
137.05971	4.1
137.09610	1.3
137.13202	1.0
141.06931	4.9
142.07767	3.6
143.08513	6.8
144.05667	1.6
145.06470	16.8
145.10092	10.3
147.04387	10.2
147.08047	7.8
147.11676	12.2
149.05960	7.0
149.09621	7.9
151.03912	1.4
151.07539	1.8
151.11119	1.4
153.06960	2.7
153.09138	1.9
153.12753	3.8
155.08546	5.3
157.06468	7.4
157.10106	12.2
159.04395	2.9
159.08025	7.6
159.11688	3.9
160.05211	4.3
161.05962	19.5
161.09567	6.4
163.07515	2.7
163.11140	11.7
165.05460	1.3
165.06929	1.5
165.12759	2.3
167.08562	4.5
169.06465	4.1
169.10078	4.0
170.07274	1.6
170.10672	1.1
171.04366	1.3
171.07993	7.4
171.11708	2.5
173.05971	23.8
173.09599	7.3
173.13222	1.3
174.06671	5.6
175.03925	3.8
175.07529	6.2
175.11140	9.9
177.05516	3.0
177.12881	1.1
181.06450	1.8
181.10109	2.4
181.12209	4.9
183.08038	3.3
183.11699	2.9
185.06015	3.2
185.09637	2.9
185.13245	2.2
186.06738	2.4
187.07506	12.4
187.11201	1.5
189.05437	22.3
189.09148	2.5
189.11226	3.6
189.12679	2.4
190.06213	1.5
191.06981	2.2
191.10674	4.6
193.10446	2.6
193.12204	26.8
195.08133	2.3
195.11674	2.0
197.09639	2.6
199.07542	4.7
199.11221	1.4
201.05496	1.8
201.09135	2.1
201.12769	2.5
203.06996	2.3
203.10614	2.7
205.12199	3.0
209.09570	1.6
209.13319	2.3
211.07680	2.2
211.11166	2.7
211.13226	33.3
213.12798	3.9
215.14445	1.8
225.12852	1.2
227.12529	7.0
237.12750	3.4
239.10663	1.1
241.12256	2.9
243.13795	1.2
245.15508	1.5
249.14716	1.4
255.13762	8.7
257.15292	5.3
259.13318	2.9
261.15002	1.3
265.12158	1.9
267.15955	9.2
271.13281	3.2
273.14804	20.9
283.13010	11.9
283.16000	1.5
285.14734	10.1
285.17435	14.3
289.14252	7.8
301.14273	77.8
302.14780	1.9
303.15891	4.8
315.15915	1.7
319.15302	12.9
323.16437	2.8
339.15897	2.2
341.17593	5.2
343.15561	1.9
343.23383	1.3
357.17032	4.6
359.18549	3.8
367.22748	2.3
375.17929	22.6
385.23920	1.9
393.19040	8.3
419.25345	1.4
429.24692	1.2
447.25256	1.6
459.27240	4.4
465.26260	2.1
475.24915	3.3
477.28162	3.8
493.25616	6.6
511.26605	5.7
525.28723	1.8
527.29974	1.2
529.27948	2.2
537.28748	1.1
539.29968	3.6
543.29553	3.0
549.28497	1.4
555.29492	2.3
557.31250	2.1
567.29401	14.2
573.30487	20.5
585.30536	83.4
586.30652	1.8
603.31561	100.0
604.31866	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3156
Annotation	trapoxin A
Peak:m/z	Relative Intensity
50.79923	1.3
53.03936	6.9
55.01860	9.8
55.05501	27.5
57.03428	9.5
57.07042	1.8
64.28681	1.3
67.05492	32.5
69.03422	9.6
69.07059	12.5
69.42343	7.1
69.42773	5.9
71.04987	6.9
71.08628	1.7
79.05476	32.6
81.03402	55.9
81.07042	37.3
83.04966	14.9
83.08603	21.8
85.02884	22.6
85.06537	3.8
86.06057	4.3
91.05466	37.2
93.07029	32.1
95.01292	2.4
95.04958	44.3
95.08593	19.6
97.02881	6.9
97.06508	6.3
97.10149	10.0
99.04456	2.1
99.08115	1.7
101.05999	2.2
103.05455	6.0
105.03419	1.6
105.07021	31.0
107.04931	13.7
107.08576	20.6
109.02869	17.2
109.06511	8.8
109.10151	11.5
111.04442	11.3
111.08047	9.2
113.05984	1.7
115.05458	6.9
116.10724	4.6
117.07007	14.5
119.04898	7.3
119.08558	22.2
121.02855	5.7
121.06491	13.3
121.10117	13.6
123.04413	6.0
123.08080	6.9
123.11687	5.5
125.02317	2.0
125.09589	9.5
127.03903	4.0
128.06204	3.0
129.06990	16.4
131.04903	11.3
131.08545	15.6
133.06479	12.0
133.10121	14.1
135.04391	4.0
135.07999	7.7
135.11696	8.4
137.02328	5.4
137.05951	4.9
137.09612	2.2
139.03839	1.4
141.06972	4.1
141.44783	1.4
143.05045	1.5
143.08554	8.8
145.05287	1.8
145.06448	14.2
145.10097	10.4
147.04362	10.7
147.08031	9.1
147.11665	14.2
149.05968	7.4
149.09558	10.1
149.13284	1.8
151.03926	1.8
151.07552	2.5
153.01866	1.9
153.07010	3.0
153.09064	1.7
153.12717	3.3
155.08498	6.6
157.06487	6.6
157.10101	13.3
159.04391	2.3
159.08043	7.6
159.11652	4.0
160.05202	3.5
161.05946	18.4
161.09645	4.9
163.07542	2.4
163.11148	11.2
163.14970	1.6
165.05484	2.4
165.12798	3.7
167.06987	6.4
167.08444	2.7
169.10100	4.9
170.07178	1.6
171.04382	2.8
171.08047	6.3
171.11699	3.4
173.04543	2.5
173.05972	21.1
173.09639	4.9
173.13214	1.8
174.06789	5.2
175.03894	3.2
175.07486	6.5
175.11172	8.7
177.05441	3.0
177.12679	1.8
179.08559	1.5
181.06459	3.1
181.10085	1.7
181.12189	4.9
183.08055	3.3
185.06039	3.7
185.09573	3.2
185.13248	1.7
186.06798	2.9
187.07491	10.1
187.11176	3.2
189.05446	21.6
189.09079	2.1
189.11205	5.6
189.12706	2.0
190.06311	2.8
191.10663	5.2
193.12215	23.1
195.08090	2.9
195.11697	1.7
197.09636	3.2
197.13248	1.7
199.07549	3.1
199.11159	3.3
200.08253	2.1
201.05537	1.8
201.12750	2.7
203.06966	2.0
203.10648	2.2
205.12189	1.8
209.09654	2.2
211.07602	2.5
211.11287	1.9
211.13235	27.7
213.09167	3.0
213.12790	2.0
215.10678	1.5
217.12231	1.5
219.13814	1.5
225.09175	1.5
227.10669	3.1
227.12430	6.5
231.13684	1.9
237.12828	2.1
241.12222	2.2
245.15387	2.2
247.13396	1.7
255.13800	9.1
257.15314	5.0
259.13382	1.7
267.15912	10.3
271.13226	3.0
273.14771	21.0
283.13181	10.2
285.14703	6.6
285.17346	15.4
289.14484	7.1
291.15857	2.1
301.14264	75.4
303.15845	5.4
311.16550	1.9
315.16061	2.3
319.15375	13.8
323.16327	2.1
325.21799	1.6
326.23267	3.4
327.23541	4.8
337.15958	2.0
339.16086	1.5
341.17520	2.4
342.22855	2.3
343.15466	1.4
357.16949	5.4
359.18530	1.9
369.91315	1.5
375.17999	20.1
385.23587	2.3
393.19193	6.7
441.30637	2.0
447.25085	1.6
459.27502	3.1
475.24976	3.3
477.28656	2.6
493.25800	6.8
511.26791	4.9
529.27612	2.3
539.30609	2.6
543.29480	3.0
555.29785	2.7
557.31049	2.3
567.29498	11.3
573.30573	21.1
585.30444	79.4
586.30969	2.6
603.31543	100.0
604.31799	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	602.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.7
55.05500	2.3
57.03429	3.3
60.76447	1.4
67.05485	4.0
69.03414	7.7
69.57614	1.4
71.01332	1.4
71.04982	13.9
71.29187	4.2
72.80946	1.6
73.02911	2.5
75.04464	3.6
76.72940	1.6
79.05469	7.8
81.03401	3.3
81.07079	1.8
83.04973	8.4
85.02414	3.0
85.02895	35.7
91.05468	8.7
93.07033	5.7
93.97758	1.7
94.49463	1.5
95.04951	9.0
95.08656	1.5
97.06511	2.9
99.04439	5.0
103.05486	8.6
105.07015	18.0
106.04140	3.0
107.04940	50.9
107.08523	1.9
109.02863	2.8
109.06508	2.9
111.04398	8.0
111.08016	1.7
113.06004	2.3
114.23322	1.5
115.05416	5.9
117.06975	3.3
118.04191	1.4
119.04939	3.6
119.08569	2.1
121.06518	13.4
121.10084	1.9
123.04417	18.7
123.08051	2.1
125.05955	3.1
127.03902	2.4
128.06252	1.7
129.05484	10.6
129.07001	1.7
131.04926	4.9
131.08560	2.5
133.02921	1.6
133.06476	20.0
135.04373	3.0
135.08049	16.5
137.05943	6.1
139.07524	1.7
141.06989	2.4
144.05623	1.4
145.06512	8.1
145.07478	2.3
147.04361	3.5
147.06502	4.0
148.05171	2.0
149.05980	19.4
150.06743	3.1
151.03856	3.3
151.07507	16.3
153.01823	13.1
153.05344	1.4
154.02121	2.2
159.08032	3.7
160.05226	1.7
161.05946	24.8
161.07140	1.4
163.03877	6.3
163.07515	42.1
165.05496	3.2
165.09081	3.7
166.06244	3.0
167.07016	100.0
168.07326	2.0
169.06416	3.3
173.05942	8.8
175.07584	3.9
177.05428	13.6
179.05438	3.6
179.07008	56.8
180.07716	4.3
181.08563	53.6
187.07480	8.8
189.05486	4.2
189.08989	2.0
191.06993	8.2
192.07628	1.6
193.08586	40.7
195.06514	3.4
195.10118	30.8
197.08131	1.8
199.07535	2.2
205.08595	8.8
207.06517	16.9
207.10114	3.1
209.08051	37.6
210.08420	2.1
211.07594	2.5
211.09624	52.3
213.11150	35.6
213.13016	2.5
214.11414	1.5
215.07002	6.4
217.08498	1.7
219.10265	3.4
221.08060	18.5
223.09662	6.0
225.11200	3.6
229.08609	4.2
231.10172	1.7
233.08078	7.5
235.09731	2.8
235.13293	2.1
237.07437	2.0
239.09128	2.6
247.09676	8.9
251.09151	8.6
259.09616	1.8
261.11206	1.7
263.09091	6.1
269.10092	4.1
273.11319	3.1
279.12222	3.3
287.05423	9.4
288.05811	10.0
289.10635	13.1
301.10663	3.0
305.13858	4.2
307.11722	15.6
319.11630	5.1
325.12775	27.5
337.12711	15.9
346.13788	2.7
354.18713	1.6
355.13947	11.5
372.15585	1.9
373.63083	1.7
390.39969	1.8
453.93500	1.7
463.79599	1.8
564.51563	2.0
603.26202	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
55.01851	0.2
58.46609	0.1
67.05500	0.2
69.03410	0.3
69.83676	0.9
71.04992	0.1
78.04704	0.7
79.05482	0.6
81.03409	0.3
81.07030	0.3
83.04964	0.2
85.02894	0.9
89.81716	0.1
91.05468	0.4
93.03367	0.1
93.07052	0.4
95.04953	0.4
96.05747	0.1
97.02877	0.4
103.05460	0.3
105.07028	0.5
106.04179	0.4
106.57957	0.1
107.04941	1.4
109.02877	0.4
109.06517	0.2
115.05459	0.1
119.04915	0.2
121.06487	0.5
122.03600	0.2
123.04410	2.1
124.05190	1.0
125.05970	0.2
127.03893	0.3
131.08496	0.2
133.06483	0.6
134.03644	0.1
135.04414	0.2
137.05969	0.4
145.06474	0.2
147.04405	0.3
149.05969	0.6
151.03947	0.6
151.04991	0.2
151.07486	0.2
152.04672	0.8
152.07039	0.2
153.01813	0.5
156.70929	0.1
161.05927	0.7
163.07516	0.3
165.05522	0.2
166.06252	0.2
167.07018	100.0
168.07356	1.3
170.08168	0.2
173.06046	0.2
173.53148	0.1
179.07043	0.4
180.08733	0.1
181.04906	0.3
181.08577	1.0
193.08580	4.5
195.10208	0.2
205.08690	0.2
209.08034	0.3
211.09628	20.1
212.09982	0.2
213.11211	1.0
216.17555	0.1
234.22849	0.1
253.08443	0.1
346.13925	0.4
372.15561	0.8
384.15717	0.3
602.24927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24023	0.6
59.33046	0.6
69.03420	0.6
69.68832	2.4
69.69236	1.3
69.94132	0.5
78.04680	1.1
79.05476	2.0
85.02889	2.0
91.05462	1.3
95.04936	1.0
97.02886	0.6
98.20805	0.9
103.05453	4.1
105.07023	4.4
106.04133	1.3
107.04372	0.6
107.04943	6.1
109.06476	0.8
114.45341	0.5
115.05443	2.1
117.06989	0.9
121.06445	1.6
123.04379	4.9
124.05158	2.9
129.06970	0.5
131.04898	6.7
131.08525	1.2
132.05684	0.6
133.06465	5.2
134.03566	0.6
135.08018	1.3
137.05951	2.4
141.06909	0.9
144.05627	0.6
145.06499	2.6
145.10117	0.6
147.04356	1.0
147.08054	0.9
149.05907	0.6
151.03851	1.1
151.07516	2.9
152.04628	2.0
157.06430	0.7
158.07193	1.0
159.07994	1.9
161.05963	6.3
163.07521	11.4
163.08723	0.4
166.06284	0.6
167.07010	100.0
168.07339	1.6
173.06013	1.2
173.09547	1.7
175.07527	1.8
177.09146	3.3
178.06114	0.7
179.06978	3.9
180.08618	0.7
181.08569	4.9
187.07523	2.8
189.09085	0.8
191.07059	0.7
192.07782	1.1
193.08566	14.7
193.10287	0.9
201.09077	2.1
203.06906	0.6
203.08624	0.9
205.08514	1.7
207.10132	0.6
217.08572	0.6
219.08244	0.5
219.10118	2.3
233.11697	3.2
237.11174	3.8
249.11090	1.0
250.11528	0.7
251.12709	1.2
263.10706	0.7
291.10101	0.7
323.12668	1.6
355.15356	11.9
387.17950	14.1
405.19031	37.0
406.19370	2.0
408.19186	1.8
408.68933	0.7
423.20190	1.7
464.66190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.3
55.01855	2.0
55.05495	10.5
57.07065	10.1
59.04971	3.2
67.05483	17.0
69.03414	7.4
69.07048	6.4
69.39767	17.2
71.08626	3.5
79.05482	15.3
79.57334	1.7
81.07034	20.7
83.04949	4.1
83.08598	9.4
85.06504	2.5
85.10190	2.0
87.04417	1.8
91.05468	23.7
93.07024	29.0
95.04944	9.5
95.08606	21.9
97.06497	2.9
97.10152	6.1
99.05698	1.9
105.06333	1.3
105.07005	33.4
107.04878	2.2
107.08575	21.4
108.08897	1.7
109.06519	9.8
109.10125	11.5
111.08118	2.3
115.05449	2.5
115.22747	2.0
117.06994	12.9
119.07780	3.4
119.08561	37.8
120.08921	3.3
121.06488	3.3
121.10116	17.6
123.08047	14.5
125.05949	3.6
125.09605	4.4
128.06184	4.8
129.07004	2.2
131.08528	14.7
131.35793	2.0
133.06508	2.6
133.10100	23.7
134.10442	2.7
135.08066	11.2
135.11650	6.7
137.09564	13.3
139.07532	2.4
141.07048	1.8
142.07814	4.2
143.08517	11.5
144.09306	2.7
145.06453	6.8
145.10088	21.9
146.10506	3.1
147.08034	20.1
147.11644	8.4
148.08434	2.1
149.09567	5.6
151.07500	9.7
155.08504	6.2
156.09238	3.1
156.22343	2.1
157.10135	19.0
158.10701	1.9
159.08023	2.6
159.11658	14.4
160.08713	2.4
161.09561	6.8
161.13237	2.3
163.11142	6.5
165.09093	40.9
167.08521	2.4
167.10706	1.9
169.10077	9.8
170.10947	2.4
171.11665	10.0
173.13206	7.4
175.11122	3.4
175.14764	6.3
180.23521	2.1
180.78600	1.9
181.10074	4.4
181.12183	6.1
182.10878	3.2
183.11623	9.1
185.13226	4.1
187.14833	3.2
189.11188	5.1
189.12657	3.5
195.11708	6.4
197.13158	8.5
199.11008	1.9
199.14807	1.9
201.16376	2.1
203.14253	16.1
207.11784	3.0
207.13687	6.7
208.12471	2.7
209.13315	4.4
209.15106	1.8
211.14789	4.6
213.12796	2.5
215.14337	2.8
220.12154	2.1
221.15321	100.0
222.15709	4.8
224.15543	2.2
227.12708	2.7
234.16100	2.0
235.14580	4.7
237.16403	2.4
247.16878	3.8
253.15669	1.8
271.16916	14.7
286.19138	2.2
287.20184	3.7
291.19507	8.5
299.20090	5.1
301.21530	2.6
313.27155	4.4
331.19119	1.8
352.23776	5.7
353.24249	4.0
365.24695	2.5
367.26004	3.3
379.26065	2.0
447.80817	1.8
491.35187	9.7
509.35489	3.9
521.35944	14.1
583.41541	12.2
589.58820	2.2
601.34186	3.2
601.42896	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
53.32845	1.8
55.05505	22.2
57.07063	8.7
59.04992	3.7
65.03931	4.7
67.05492	32.0
67.05827	3.4
69.03422	18.3
69.07057	29.4
71.04984	4.5
71.54969	4.0
79.05483	37.2
81.07043	44.8
83.04967	20.1
83.08604	19.7
85.06516	6.5
87.04458	4.1
91.05465	59.3
91.70001	2.2
93.07027	85.9
95.04367	2.1
95.04961	28.6
95.08587	47.9
97.06510	15.1
97.10184	3.4
103.05464	5.1
105.07012	100.0
107.04950	2.4
107.08577	77.1
107.52171	2.0
108.08886	3.4
109.06508	19.2
109.10142	36.8
111.08061	8.1
111.50751	1.6
113.06021	1.9
113.09625	3.8
115.05445	6.2
116.06223	4.6
117.07000	26.6
119.08564	97.4
120.08875	2.9
121.06490	11.5
121.10121	90.7
122.10443	2.9
123.08041	15.7
123.11689	13.0
125.05984	3.3
125.09615	16.7
128.06192	16.2
129.06995	19.4
130.07773	9.7
131.08553	49.4
133.06458	4.5
133.10106	73.1
135.08020	15.0
135.11676	23.5
137.09595	12.4
137.72058	2.0
139.11191	10.0
141.06970	10.3
142.07762	27.3
143.08549	49.5
144.09331	10.6
145.06462	4.3
145.10104	81.1
146.10434	2.6
147.08023	14.7
147.11659	30.0
149.09607	27.9
149.13216	5.2
151.07501	6.6
151.11156	6.3
151.14880	2.2
153.06979	5.9
154.07777	3.4
155.08545	22.4
155.10556	11.0
156.09335	17.8
157.10109	67.8
158.10904	10.0
159.08047	17.1
159.11668	43.8
160.08839	3.0
160.12106	2.5
161.09567	15.3
161.13237	11.6
163.11221	12.4
163.14838	2.5
165.07002	6.7
165.09059	8.7
165.12785	2.4
166.07642	3.3
167.08574	11.4
167.10640	76.5
168.09312	6.1
169.10104	33.5
170.10837	10.5
171.08150	2.1
171.11664	37.7
172.12372	3.0
173.09602	9.0
173.13229	29.8
175.11150	10.2
175.14798	16.8
177.12732	4.9
178.07846	2.6
179.08583	11.9
179.10558	1.9
180.09302	6.2
181.10095	17.4
181.12233	8.1
182.10878	10.2
183.11673	30.3
184.12296	4.2
185.09630	5.6
185.13245	22.7
187.11174	5.3
187.14780	14.4
189.12689	7.7
191.14288	9.6
192.09282	3.9
193.10107	16.3
193.11717	2.6
194.10860	10.0
195.11670	26.3
196.12411	8.0
197.09587	3.0
197.13226	29.3
198.10390	2.0
198.13805	4.1
199.11134	4.9
199.14799	15.0
201.12761	4.2
201.16296	9.5
203.14287	7.9
205.15807	3.1
206.10878	5.8
207.11647	16.6
207.13565	3.5
208.12389	7.6
208.14279	1.9
209.13252	29.0
209.15291	4.7
210.13815	3.4
211.11253	4.3
211.14755	24.3
212.15392	2.5
213.12708	4.3
213.16342	7.1
215.14333	11.1
217.10039	2.8
217.15862	6.6
218.10779	2.9
219.11665	7.0
220.12404	6.6
221.13200	16.8
221.15364	26.5
222.13733	4.6
223.14777	19.2
224.15430	2.3
225.12787	2.9
225.16319	11.3
227.14282	7.8
229.15875	3.9
231.11621	4.5
233.13197	7.2
233.15312	33.2
234.13890	3.7
235.14752	12.6
235.16858	4.3
236.15524	3.3
237.16533	4.0
239.14319	3.8
239.17976	6.9
241.15852	2.8
241.19519	2.4
243.11574	2.1
243.17448	3.2
244.12469	2.9
245.13226	7.5
246.13966	2.9
247.14766	5.6
247.17061	2.5
248.15503	2.4
249.16275	9.3
251.17892	9.1
253.15761	2.4
253.19579	2.6
255.17380	4.9
257.19040	3.6
258.13940	3.1
259.14719	3.6
261.16370	7.3
262.17056	2.8
263.17896	5.8
265.15854	2.2
265.19513	5.5
267.17542	2.9
267.20615	2.6
269.18973	11.2
270.19260	2.0
273.16208	2.5
273.18713	2.6
274.16864	2.5
275.17737	4.3
277.15897	2.7
277.19357	4.6
279.21039	2.5
281.18875	4.7
283.20541	8.6
287.20319	3.6
289.19519	4.4
293.18732	2.3
295.20508	6.0
297.22073	5.1
299.20016	6.7
300.20685	2.4
301.21707	4.0
303.20920	3.7
309.21814	2.6
311.20139	2.4
317.22913	2.3
321.22314	3.1
327.20752	2.3
331.24057	4.5
343.24060	2.2
347.23563	3.9
349.25089	5.2
367.26395	3.0
373.25635	2.3
379.26086	2.6
565.39838	9.3
583.41443	16.7
601.42145	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.6
55.01857	4.5
55.05503	24.7
57.03428	4.8
57.07070	21.9
59.04981	6.1
65.03915	4.5
67.05495	36.8
69.03417	19.4
69.07059	22.3
70.19664	4.1
70.20077	5.9
71.04980	4.4
71.08624	7.8
74.06284	2.1
79.05474	35.0
79.05906	3.4
81.03400	28.8
81.07043	49.4
83.04967	18.8
83.08605	21.8
85.06534	8.3
87.04459	4.9
90.41485	1.9
91.05464	56.0
92.05798	2.4
93.07028	79.2
95.04950	25.7
95.08590	49.8
95.09152	3.4
97.06523	14.8
97.10168	6.2
103.05470	6.7
105.04483	2.1
105.07011	100.0
106.07343	2.9
107.04942	4.9
107.08579	77.0
108.08858	2.6
109.06492	20.8
109.10143	33.0
111.08073	6.7
113.09620	4.7
115.05449	10.7
116.06262	3.9
117.06995	23.0
119.04900	3.0
119.08565	95.3
120.08887	3.1
121.06493	11.7
121.10121	73.7
122.10505	4.1
123.08039	24.4
123.11696	8.0
125.05937	2.8
125.09589	12.2
128.06200	14.9
129.06995	19.6
130.07759	8.7
131.04909	3.9
131.08554	46.6
131.22978	2.2
132.09206	1.7
133.06506	9.7
133.10106	61.0
135.08035	23.4
135.11667	20.6
136.99205	1.9
137.09596	13.7
137.13234	2.2
139.11174	6.4
141.06938	9.2
142.07762	23.5
143.08542	50.2
144.09302	9.1
145.06529	3.0
145.10100	71.5
146.10394	3.0
147.04469	3.3
147.08023	21.1
147.11658	23.6
148.12122	2.0
149.09587	22.5
149.13217	5.3
151.07568	8.9
151.11163	3.6
153.06996	4.9
154.07776	3.2
155.08545	16.9
155.10677	5.5
156.09349	17.9
157.10107	54.0
158.10783	9.3
159.08049	13.8
159.11678	45.1
160.05200	7.9
160.12088	2.8
161.05946	12.7
161.09599	18.2
161.13277	8.8
163.11186	10.7
165.06976	7.4
165.09088	31.7
165.12672	2.6
166.07596	2.5
167.07220	2.1
167.08525	10.3
167.10651	45.4
168.09335	8.3
168.10889	2.7
169.10097	25.4
170.10806	8.5
171.08038	2.5
171.11661	33.1
172.12274	3.4
173.05988	8.9
173.09613	8.9
173.13240	22.0
175.11211	10.3
175.14838	16.6
178.07820	3.3
179.08528	9.9
180.09334	5.6
181.10078	12.9
181.12167	14.5
182.10898	11.1
183.11679	27.8
184.12270	4.3
185.09686	4.1
185.13248	19.8
186.13916	2.9
187.11192	5.1
187.14777	10.6
188.15295	2.5
189.12766	7.6
189.16400	2.7
191.08571	3.1
191.14349	6.1
192.09412	5.0
193.10159	16.5
194.10875	8.7
195.11679	24.9
196.12402	9.1
197.13269	23.2
198.13905	3.4
199.11267	3.8
199.14789	13.9
201.12752	5.5
201.16391	7.9
203.10687	5.8
203.14240	16.8
205.10144	3.6
206.10977	2.2
207.11681	15.0
207.13763	6.9
208.12408	7.0
209.13266	25.0
209.15213	2.4
210.10300	2.3
210.13943	4.9
211.11217	4.1
211.14778	18.8
213.12700	5.9
213.16364	3.3
215.14322	6.9
217.09969	2.3
217.15897	5.6
218.10933	2.4
219.11703	5.9
221.13246	13.0
221.15289	79.2
222.13878	3.3
223.11125	2.0
223.14761	16.7
224.15308	2.9
225.12810	2.6
225.16382	9.9
227.14352	4.9
229.15775	4.5
231.11777	3.2
232.12401	2.5
233.13232	6.2
233.15411	25.7
234.13930	4.1
234.16150	2.6
235.14699	9.9
237.16394	7.0
239.14282	4.3
239.17996	4.0
241.15952	2.2
243.13857	4.8
245.13261	4.1
247.14789	6.1
247.17065	2.9
249.16504	7.3
251.18066	5.5
255.17455	5.4
256.17764	4.0
257.13333	3.5
257.19000	4.8
259.14828	5.1
259.20499	2.7
261.16394	4.8
263.18042	5.4
265.19525	6.3
267.17474	3.3
269.19089	8.1
270.19620	2.4
271.13345	16.3
271.16867	2.1
273.16043	3.1
273.18668	3.3
275.17871	5.2
277.19580	3.5
281.18918	5.4
283.20584	4.9
285.18613	4.5
287.19992	6.5
289.14423	7.3
295.20535	4.1
299.20029	5.9
300.20599	4.3
301.21942	2.7
311.20291	2.5
313.27444	8.7
345.16968	5.1
349.24829	2.8
353.24182	2.4
361.25439	3.3
367.26544	3.6
375.26547	3.4
491.35156	6.9
509.35944	2.5
521.35876	3.0
563.19281	2.1
565.40131	4.7
583.41193	18.1
601.41663	83.2
602.41394	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	601.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01859	2.3
55.05500	18.9
57.03404	2.4
57.07068	14.7
59.04986	4.7
62.02951	2.0
65.03922	5.4
66.69695	1.9
67.05129	1.4
67.05489	35.0
68.05796	2.2
69.03409	21.8
69.07056	28.7
71.04975	3.2
71.08587	1.9
71.09382	3.9
77.03912	2.7
79.05479	37.8
80.05804	2.1
81.03397	7.6
81.07043	51.1
83.04964	18.8
83.08598	14.6
85.02904	2.7
85.06519	5.3
87.04456	3.2
90.43816	2.0
91.05465	60.4
92.05792	3.3
93.07027	85.5
94.07362	5.2
95.04955	27.7
95.08589	47.6
96.08925	2.5
96.94084	2.1
97.06527	13.2
97.10171	3.7
103.05472	4.8
103.30098	1.8
105.04501	3.1
105.07011	100.0
106.07337	6.0
107.04937	4.9
107.08576	72.8
108.08861	4.4
109.06490	20.5
109.10143	32.5
110.10467	3.0
111.04486	2.6
111.08041	4.8
113.09607	3.4
115.05424	7.4
116.06258	2.7
117.06998	20.8
119.04932	3.0
119.08558	86.2
120.08904	5.7
121.06473	12.7
121.10122	75.8
122.10473	4.5
123.08053	22.1
123.11639	9.6
124.08347	2.0
125.05954	8.9
125.09621	16.0
128.06213	11.8
129.06987	16.6
130.07751	8.9
131.08545	44.4
133.06473	8.5
133.09106	3.3
133.10101	66.6
134.10490	3.9
135.08026	23.9
135.11681	22.1
137.09608	15.9
138.09952	2.3
139.11122	5.9
141.06958	11.7
142.07768	24.5
143.08548	46.0
144.09349	10.9
145.06445	5.3
145.10098	79.8
146.10522	6.8
147.08014	28.0
147.11674	25.4
148.08376	3.3
149.09593	16.4
149.13242	4.8
151.07497	17.7
151.11136	3.8
152.07860	3.5
153.06915	4.3
153.09128	2.3
154.07722	3.5
155.08543	18.7
155.10655	4.3
156.09337	22.8
157.10104	69.0
158.10620	10.5
159.08049	18.0
159.11659	44.2
160.08595	3.7
160.12054	5.5
161.05989	4.3
161.09624	18.6
161.13152	9.5
162.10057	2.9
163.11143	17.1
164.11536	3.0
165.06949	6.8
165.09085	38.3
166.07582	3.3
166.09398	5.5
167.08513	9.2
167.10640	46.9
168.09311	7.3
169.10103	32.5
170.10861	10.2
171.11650	41.0
172.12199	3.7
173.09608	8.2
173.13219	25.7
174.13632	2.4
175.11209	15.5
175.14828	11.5
176.11707	3.3
177.09087	2.9
177.12706	4.6
179.08522	11.4
179.10577	4.5
180.09254	5.3
181.10056	15.0
181.12158	13.1
182.10820	9.1
183.11665	27.2
184.12222	5.9
185.09641	4.1
185.13228	24.2
186.13724	2.1
187.11150	8.1
187.14803	9.3
188.11685	2.5
189.12744	11.0
190.13374	4.5
191.08432	2.7
191.14189	10.2
192.09258	4.6
193.10085	13.3
193.12186	5.7
194.10742	8.7
195.11655	22.7
196.12297	9.1
197.09593	3.0
197.13219	24.2
198.13669	7.0
199.11105	7.9
199.14825	16.8
200.11826	2.4
200.15363	2.4
201.12695	6.5
201.16322	8.0
203.14310	19.8
204.14639	3.0
205.10156	3.4
205.15863	3.5
206.10817	4.1
207.11639	16.9
207.13771	10.3
208.12317	7.6
208.14294	3.8
209.13185	21.9
209.15228	6.7
210.13831	7.6
211.11095	4.2
211.14728	17.5
212.15430	4.6
213.12622	9.8
213.16212	3.8
214.13135	2.7
215.14310	6.4
217.15796	4.5
218.10686	3.6
218.16711	2.3
219.11739	3.6
219.17332	3.1
220.12222	5.8
221.13208	16.6
221.15273	78.3
222.13918	3.3
222.15686	13.4
223.11200	3.4
223.14772	18.1
224.15385	5.1
225.12708	4.4
225.16313	8.7
227.14229	4.3
229.15813	2.6
231.11655	4.2
231.13742	3.4
233.13159	8.8
233.15352	28.0
234.13676	3.3
234.15854	6.9
235.14676	14.9
235.16824	3.0
236.15288	5.0
237.12656	3.7
237.14835	9.1
237.16618	5.6
238.15205	3.7
239.14296	4.0
239.17937	3.6
241.15833	3.4
245.13142	4.1
246.13864	3.1
247.14693	6.6
247.16972	6.0
248.15308	3.6
249.16272	5.3
250.16852	2.8
251.18115	2.9
253.19327	2.6
255.17413	7.6
256.17807	4.6
257.19025	3.8
259.14731	2.7
260.15524	4.5
261.16302	5.9
262.16943	4.5
263.17975	5.2
265.19461	7.0
267.17242	2.6
269.18924	6.9
270.19479	3.2
271.06631	2.2
271.20203	3.6
273.16275	4.8
274.19223	3.6
275.17673	2.9
275.20261	2.3
277.19415	5.5
281.18854	4.6
283.20480	8.2
285.18439	4.0
286.19186	5.9
287.20157	10.4
289.19571	2.1
291.20844	2.6
293.18982	3.3
295.20364	6.2
299.19949	6.4
300.20581	5.8
301.21689	6.9
303.19443	9.5
304.19894	10.3
307.20782	2.2
309.21948	3.0
311.20120	4.7
312.20685	4.6
313.21454	6.3
314.21814	3.5
317.22415	2.5
325.21463	4.1
326.21957	4.5
335.23563	3.1
337.21405	3.1
347.23419	3.2
349.25320	5.8
352.23871	13.7
353.24298	22.8
365.24814	5.0
366.25293	3.5
367.26294	5.3
375.26697	3.3
393.27911	2.7
491.34720	3.1
503.34933	7.4
508.34906	3.2
509.34897	5.6
520.35175	3.3
521.35718	18.2
565.40167	9.7
583.41254	15.7
601.42065	53.4
602.41992	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	7.1
55.05500	25.1
57.07070	20.5
59.04990	4.2
61.22221	2.8
63.12869	3.2
65.03921	7.1
67.05495	39.0
69.03419	17.1
69.07059	25.3
69.32790	14.4
69.33221	16.1
71.08612	4.1
79.05476	40.7
81.03407	17.3
81.07040	51.9
83.04983	23.9
83.08606	18.5
85.06512	9.2
85.10152	3.1
87.04446	6.5
89.05998	6.3
90.41053	2.9
91.05464	66.0
93.07032	83.1
94.07328	3.5
95.04965	27.0
95.08601	50.7
97.06519	18.5
97.10135	4.5
103.05466	4.3
105.07019	100.0
106.07323	3.5
107.04896	5.5
107.08574	79.2
109.06511	22.5
109.10146	40.4
111.08067	9.0
111.11716	3.7
113.09611	6.4
115.05433	8.2
116.06201	3.5
117.06998	28.7
119.08568	97.8
121.06475	14.5
121.10126	87.6
121.10834	2.1
121.10999	3.8
123.08051	21.0
123.11664	12.2
125.05950	6.1
125.09585	14.9
128.06195	10.5
129.06982	18.9
130.07721	9.5
131.04922	5.3
131.08545	55.7
132.09160	2.8
133.06473	5.0
133.10115	68.2
135.08032	19.6
135.11696	30.3
137.09595	12.4
139.11150	5.3
141.06952	9.2
142.07779	26.3
143.08546	49.6
144.09290	8.6
145.06433	5.2
145.10107	79.7
146.10406	5.3
147.04301	4.4
147.08035	21.6
147.11649	19.3
149.09575	23.6
149.13242	4.4
151.07510	12.8
151.11081	4.3
153.06975	4.6
155.08530	19.5
155.10619	7.1
156.09328	17.1
157.10097	58.4
158.10793	9.0
159.08018	15.2
159.11662	44.8
160.05252	3.5
160.08842	3.3
161.05972	7.1
161.09595	17.7
161.13235	8.5
163.11148	11.9
165.06963	6.8
165.09088	28.1
167.08504	12.3
167.10649	68.2
167.14156	3.4
168.09299	5.5
169.10112	30.9
170.10789	10.3
171.08072	2.7
171.11705	31.9
172.12331	3.7
173.05963	3.7
173.09569	7.1
173.13243	32.1
175.11153	6.4
175.14795	17.6
177.09129	3.1
177.12646	3.2
179.08528	11.1
180.09283	8.7
181.10129	16.7
181.12213	11.8
182.10934	14.8
183.11678	29.9
184.12358	5.9
185.09586	3.5
185.13242	21.0
186.13899	2.9
187.11172	9.5
187.14742	15.6
189.12744	6.7
191.14278	6.0
192.09302	6.9
193.10062	12.9
194.10822	9.3
195.11667	24.7
196.12347	7.5
197.13181	21.6
198.13687	5.4
199.11172	4.9
199.14764	15.2
201.12683	4.9
201.16241	6.0
203.14241	10.3
206.10837	9.6
207.11617	17.3
207.13593	5.2
208.12370	6.4
209.13245	19.5
209.15063	3.8
210.13818	5.2
211.11206	3.0
211.14758	17.2
213.12624	3.7
213.16266	5.3
215.14230	7.4
217.15948	3.9
219.11684	3.9
220.12384	4.0
221.13171	13.2
221.15294	69.9
223.14752	16.7
224.15245	3.4
225.12619	6.3
225.16348	10.5
227.14201	5.3
229.15657	3.6
231.11478	3.7
232.12477	3.7
233.13138	8.1
233.15312	32.3
234.13811	3.9
234.15959	3.9
235.14729	9.7
237.16327	5.4
239.17825	4.6
241.15782	3.6
245.13257	4.7
247.14703	6.1
248.15388	4.2
249.16365	8.7
251.17934	9.2
253.19238	3.4
255.17444	3.1
257.18979	5.9
259.14639	3.6
260.15518	5.0
261.16379	4.9
263.17941	6.3
265.19461	5.6
269.18979	9.1
270.19370	3.0
271.13342	8.4
271.16910	3.9
271.20398	3.4
273.18625	3.4
277.19421	3.8
281.18927	7.5
283.20459	5.5
287.20132	4.6
289.14249	4.8
289.19354	6.0
299.19937	10.0
307.20773	3.8
313.27240	5.5
349.24976	4.6
361.24985	4.7
367.26324	3.2
370.62061	3.6
491.34729	8.6
516.43646	3.1
565.39801	5.0
583.41345	17.2
601.41943	65.5
615.08997	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
53.03930	3.4
55.01865	2.0
55.05506	10.9
56.36304	1.0
57.03398	1.3
57.07067	10.7
59.04997	5.5
65.03912	2.5
67.05162	1.5
67.05495	20.3
69.03417	11.5
69.07061	9.3
69.86216	1.2
70.81389	3.5
71.04023	1.1
77.03941	1.2
78.04696	1.0
79.05052	1.5
79.05486	19.6
81.03384	1.1
81.07047	27.6
83.04961	6.1
83.08596	4.3
85.06521	6.5
91.05469	36.3
93.07027	46.2
94.07327	1.5
95.04944	12.7
95.08590	30.2
96.08865	1.2
97.06522	5.6
103.05446	2.7
105.07019	56.3
106.07330	1.9
107.04911	1.3
107.08585	31.6
109.06490	12.4
109.10141	13.6
111.08047	2.9
111.31468	1.0
115.05444	2.6
116.06225	2.1
117.06998	14.1
119.08564	62.1
120.08890	2.5
121.06502	8.5
121.09306	1.8
121.10130	21.9
122.07227	1.3
123.08057	21.3
123.11665	3.0
125.05967	4.2
128.06204	5.6
129.07005	12.4
130.07799	7.4
131.08545	24.0
132.08824	1.1
133.06476	3.0
133.10114	27.2
134.10545	1.1
135.08023	14.9
135.11708	6.4
137.06009	1.6
137.09598	20.0
139.07533	2.0
141.06935	3.7
142.07753	12.1
143.08545	19.9
144.09384	5.4
145.06464	3.3
145.10106	38.2
146.10428	1.4
147.08023	26.1
147.11641	8.2
149.09570	7.4
149.13274	2.6
151.07507	15.2
153.07010	1.9
154.07689	1.7
155.08562	6.9
155.10664	1.1
156.09346	8.6
157.10107	24.0
158.10684	4.1
159.08072	3.6
159.11673	22.6
160.08794	1.5
160.12332	1.6
161.09631	6.0
161.13193	7.1
163.11186	7.3
165.06941	2.6
165.09087	42.0
166.07881	1.8
166.09436	4.0
167.08487	5.0
167.10713	1.1
168.09320	3.2
169.10112	13.7
170.10883	5.6
171.11661	16.8
172.12241	1.8
173.09644	3.6
173.13226	7.5
174.10167	1.8
175.11176	7.3
175.14771	5.1
177.12755	1.4
179.08533	4.0
180.09251	3.7
181.10071	7.1
181.12202	7.9
182.10890	4.2
182.12474	1.3
183.11674	11.1
184.12364	1.7
185.09621	2.0
185.13231	7.4
186.10355	1.6
187.11157	3.0
187.14810	4.5
189.12708	3.2
190.13435	1.5
191.10513	1.9
191.14261	3.7
192.09364	1.5
193.10095	6.3
193.12090	2.5
194.10869	4.5
194.12483	1.4
195.11699	9.3
196.12370	4.9
197.09589	2.3
197.13223	6.7
199.11082	3.1
199.14806	3.4
201.12732	3.0
203.14310	17.1
205.15834	1.6
206.10779	2.3
207.11661	4.4
207.13782	7.0
208.12378	1.5
208.14287	1.8
209.13235	8.3
209.15198	2.4
210.13907	1.9
211.14781	5.4
212.11823	1.4
213.12711	2.3
215.14316	1.6
217.12267	1.4
217.15898	1.6
219.11664	2.3
220.12393	1.9
221.15326	100.0
222.15674	6.4
223.14816	4.8
225.12732	1.6
225.16415	2.2
231.11774	2.1
231.13863	1.6
233.13277	2.0
233.15292	1.6
234.16028	2.8
235.14684	2.8
237.16394	2.8
239.14342	1.8
241.15839	1.8
247.16933	4.8
248.17352	2.5
249.16426	1.5
251.17935	2.8
259.14764	1.5
263.17615	1.2
265.19498	2.9
269.18881	1.2
273.18451	1.6
274.19131	1.2
283.20444	2.1
285.18372	1.3
286.19281	1.4
287.20126	6.2
293.19055	1.3
297.22223	2.3
299.20068	3.1
300.20740	2.5
301.21585	4.6
312.20758	1.6
313.21405	2.8
325.21558	2.8
339.23410	1.2
340.23834	1.9
341.24402	1.5
349.25446	1.3
352.24002	3.4
353.24274	3.9
365.24960	2.2
367.26309	6.8
375.26703	1.6
378.25397	1.6
388.25812	1.4
393.27783	2.9
426.27457	1.4
428.28903	1.6
435.28445	1.5
440.29156	2.4
441.29562	6.2
455.31357	1.6
464.32727	1.4
491.35138	12.5
509.35870	4.8
521.35864	11.5
583.41284	12.3
586.39716	1.7
601.42273	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.05510	4.9
57.07067	6.2
59.04978	1.7
62.22860	0.7
65.03893	0.9
67.05495	7.6
69.03409	7.0
69.07058	5.5
71.05553	1.3
71.05857	1.0
79.05480	8.9
80.04327	0.7
81.07042	15.2
83.04956	3.6
83.08566	1.3
85.06497	2.9
90.05080	0.8
91.05463	17.9
92.05768	1.4
93.07024	27.3
94.07323	1.5
95.04948	5.5
95.08051	1.2
95.08588	16.5
96.08891	0.8
97.06474	3.3
103.05420	0.8
105.07013	29.5
106.07285	1.4
107.08572	16.2
108.08902	1.0
109.06510	7.4
109.09557	0.7
109.10141	6.1
111.08041	1.3
115.05409	1.1
117.06976	6.3
119.08561	31.4
120.08865	3.1
121.06482	4.5
121.09322	1.2
121.10120	17.6
122.10430	2.2
123.08047	14.7
123.11642	1.9
125.05953	3.7
125.09604	0.9
128.06151	2.8
129.06978	4.5
130.07666	2.3
131.08545	12.7
132.08896	1.4
133.06456	1.9
133.10120	15.8
134.10425	1.2
135.08017	10.0
135.11656	6.7
136.08360	0.9
137.05954	1.7
137.09587	10.1
138.09961	0.9
139.07510	1.3
139.11081	0.9
141.06917	1.6
142.07742	4.9
143.08536	12.4
144.09369	3.8
145.10095	23.4
146.10443	2.0
147.08008	19.0
147.11679	6.6
148.08397	2.5
149.09587	5.5
149.13286	0.9
150.10307	1.0
151.07523	11.6
151.11191	1.3
152.07838	0.9
153.06911	0.7
153.09058	1.4
155.08530	5.3
156.09354	4.5
157.10098	14.3
158.10579	1.6
159.08017	2.1
159.11662	14.7
160.12047	2.3
161.09549	4.0
161.13240	5.8
163.11165	11.0
164.11565	1.4
165.06909	1.7
165.09081	43.9
166.09395	4.8
167.08507	2.3
168.09245	1.9
169.10066	7.6
170.10730	3.0
171.07991	1.2
171.11626	10.1
172.12198	1.3
173.09512	2.6
173.13260	6.2
175.11139	4.3
175.14798	4.5
176.11508	2.1
177.08990	1.5
177.12680	1.0
179.08421	1.2
179.10674	0.9
180.09113	1.1
181.10072	2.9
181.12167	10.3
182.10818	2.3
182.12529	2.0
183.11626	7.6
184.12163	2.5
185.09671	0.9
185.13223	5.8
187.11104	2.4
187.14796	4.8
188.11644	1.2
189.12695	5.1
190.13428	1.4
191.10599	1.5
191.14183	2.1
193.10098	2.7
193.12157	2.4
194.10808	2.1
194.12457	1.0
195.11617	6.9
195.13458	1.6
196.12320	2.1
197.09592	1.2
197.13159	5.6
198.13829	1.1
199.11124	2.2
199.14815	2.2
200.11510	0.9
201.12643	2.2
202.13164	0.8
203.14255	14.3
204.14600	2.6
205.10081	0.8
206.10800	1.4
207.11580	3.5
207.13731	5.7
208.12381	1.6
208.14381	1.9
209.13188	5.7
209.15193	3.3
210.13899	1.9
211.11166	1.4
211.14803	3.9
212.15176	1.0
213.12723	2.0
213.16280	1.5
215.14279	0.8
219.13661	1.1
220.12289	1.4
221.15314	100.0
222.13571	0.6
222.15686	13.9
223.14642	1.4
224.15134	0.9
225.12598	1.5
225.16304	2.5
227.14229	1.1
227.17815	0.8
229.15800	1.4
231.13666	1.1
233.13159	1.7
233.15332	1.7
234.13878	1.3
234.16078	3.5
235.14732	2.1
235.16722	1.7
237.12427	1.1
237.16228	1.8
239.17937	0.9
241.15784	1.2
243.13774	1.3
245.13135	1.2
247.16899	6.4
248.17270	3.5
249.16121	0.9
259.17084	1.3
261.18457	1.1
265.19427	1.3
267.17462	0.9
271.16843	1.1
274.19281	3.3
275.19830	2.4
277.19418	1.4
281.18848	1.4
283.20847	1.2
284.62756	0.9
286.19171	3.1
287.20029	5.2
288.20288	1.9
291.21124	1.1
295.20657	1.3
297.22003	1.2
299.20123	4.2
300.20422	5.5
301.21548	3.2
311.20288	1.2
312.20840	1.3
313.21353	3.0
325.21539	3.4
326.21970	2.3
340.23779	3.2
341.24155	2.9
349.25275	0.9
352.23810	4.1
353.24191	4.2
365.24585	1.7
366.25232	1.3
367.26248	6.4
375.26782	1.9
377.24533	1.3
388.25504	0.9
392.26505	1.5
393.27655	3.0
414.26758	0.9
420.29898	1.4
421.30380	1.5
426.27142	2.2
427.28021	2.2
428.28726	3.0
440.29340	3.9
441.29471	10.0
491.35037	10.0
508.35287	1.0
509.35782	3.6
520.35455	1.6
521.35785	13.1
522.35748	1.0
565.40070	1.7
583.41168	11.9
584.41467	1.1
601.42200	43.6
602.42572	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	601.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48137	1.2
55.05498	3.0
56.97257	0.9
57.07075	7.1
59.04985	2.5
67.05495	8.3
69.03417	4.6
69.07064	4.2
69.28242	12.1
79.05488	7.7
79.22346	1.0
81.07037	11.4
83.04985	3.2
83.08607	1.1
85.06543	2.4
91.05466	15.5
93.07031	23.4
94.37054	1.0
95.04976	4.2
95.08588	14.8
97.06535	2.8
105.07011	24.6
105.07667	1.9
106.07334	1.8
107.08575	15.6
109.06505	6.8
109.10126	8.2
111.08082	2.1
115.05415	1.5
117.07021	6.5
119.08564	25.4
120.08862	2.5
121.06501	5.0
121.10126	15.3
122.39193	1.0
123.08054	9.9
125.05979	2.8
128.06250	2.8
129.06996	3.3
130.07803	3.0
131.08551	12.7
133.06395	1.0
133.10110	14.9
134.10434	1.1
135.08037	8.5
135.11684	4.7
137.05896	1.4
137.09595	10.2
139.07532	1.5
141.07004	1.7
142.07793	4.5
143.08549	10.2
144.09335	1.7
145.10095	21.6
146.10442	1.8
147.08040	14.7
147.11682	5.4
148.08501	1.2
149.09676	3.4
149.13248	1.4
151.07521	8.8
153.09172	1.1
155.08545	3.1
156.09308	3.2
157.10107	12.5
158.10892	1.3
159.08005	1.9
159.11652	12.4
160.12151	1.4
161.09636	4.2
161.13225	5.0
163.11162	7.6
165.07063	1.5
165.09090	36.6
166.09489	2.4
167.08502	1.3
168.09396	1.4
169.10112	8.2
170.10838	2.3
171.11670	7.2
172.12265	1.7
173.09633	2.0
173.13258	5.5
175.11145	2.9
175.14827	4.4
179.08611	1.7
179.10550	1.4
181.10139	3.7
181.12178	8.7
182.10927	1.9
183.11684	8.6
184.12375	1.3
185.09634	1.7
185.13263	4.9
187.11153	1.1
187.14835	3.9
189.12752	3.3
191.10638	2.1
191.14285	1.4
193.12285	1.2
194.10703	1.5
195.11713	5.3
196.12488	1.6
197.09485	1.3
197.13261	6.2
199.11171	2.5
199.14850	2.3
203.14310	12.8
204.14680	1.5
207.11810	2.4
207.13829	5.2
208.12460	1.9
208.14423	1.8
209.13235	4.0
209.15158	2.2
211.14888	3.6
213.12700	1.7
213.16394	2.6
219.13860	1.1
220.12321	1.3
221.13287	3.5
221.15324	100.0
222.13849	1.3
222.15617	7.4
223.14832	2.0
225.12560	1.2
225.16267	2.0
227.18108	1.2
233.13293	1.3
234.16177	2.1
235.14700	2.0
237.16393	2.0
239.17944	1.7
241.15840	1.5
247.16913	3.6
248.17352	2.4
249.16241	1.3
251.17792	1.4
269.19250	1.7
283.20551	2.2
286.19183	1.4
287.20102	4.6
293.19000	1.1
299.20020	3.4
300.20609	3.1
301.21597	4.4
311.20065	1.9
312.20944	1.8
313.21436	2.7
325.21570	1.7
337.21753	1.5
341.24408	1.4
352.23868	2.7
353.24185	4.8
365.24741	1.8
366.25104	1.2
367.26099	6.7
378.25433	1.3
393.27841	1.9
420.29410	1.4
426.27209	1.1
427.27933	1.8
428.28653	1.4
440.29224	2.3
441.29431	6.5
491.35068	12.7
509.35889	2.3
521.35974	8.7
583.41315	12.2
601.42230	40.5
602.42773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
55.05501	21.1
57.07052	9.0
59.04982	3.3
65.03925	6.5
67.05488	25.7
69.03410	12.2
69.07052	25.7
69.43086	2.8
71.54811	4.3
78.26521	2.8
79.05477	30.4
81.07044	43.2
83.04965	21.0
83.08604	20.9
85.06519	9.2
91.05454	53.2
93.07027	74.3
94.07368	3.4
95.04944	28.1
95.08590	41.6
97.06502	17.9
105.07011	83.6
106.07320	6.4
107.08574	69.4
109.05875	2.8
109.06493	18.5
109.10127	30.7
111.08083	7.6
113.09654	4.7
115.05462	7.3
115.86286	2.6
116.06165	3.1
117.07001	25.4
118.73727	2.9
119.08561	100.0
121.06490	15.5
121.10123	91.0
123.08044	16.5
123.11678	11.2
125.09586	18.0
128.06201	11.4
129.06989	19.7
130.07753	5.6
131.08556	45.4
132.09015	3.1
133.06447	5.4
133.09216	5.4
133.10112	60.6
134.10553	3.2
135.07999	19.8
135.11662	23.5
137.09579	8.7
139.11160	9.5
141.06946	8.3
141.09071	2.9
142.07759	24.4
143.08545	36.2
144.09262	10.2
145.10091	70.5
146.07173	4.5
146.10370	5.6
147.08038	13.2
147.11690	26.8
149.09589	14.6
149.13222	4.5
151.07585	7.0
153.06972	4.9
155.08571	21.6
155.10612	9.2
156.09314	18.4
157.10110	55.4
158.10739	10.3
159.08000	18.5
159.11665	36.4
160.08708	6.0
160.12173	5.4
161.09540	11.8
161.13229	8.5
163.11172	10.3
165.07001	5.8
165.09102	13.9
167.08522	9.6
167.10648	61.8
168.09323	8.5
169.10097	33.7
170.10738	6.9
171.11679	35.7
173.09583	9.1
173.13257	24.4
175.11151	13.6
175.14828	16.3
177.12740	3.6
178.07443	2.7
179.08519	12.1
180.09198	4.2
181.10077	17.5
181.12314	7.3
182.10806	4.4
183.11627	26.8
184.12254	5.5
185.09596	4.4
185.13203	23.2
187.11116	11.0
187.14784	9.1
189.12706	6.8
191.14204	7.8
193.10092	12.9
193.12189	3.3
194.10820	9.9
195.11650	24.6
196.12364	7.5
197.13210	26.1
197.87999	3.1
198.13506	4.6
199.11113	3.7
199.14868	14.1
201.12665	5.9
201.16342	4.3
203.14296	9.2
206.10834	5.5
207.11691	9.5
207.13776	3.1
208.12370	9.9
209.13206	26.6
210.13782	4.9
211.14778	17.1
213.12650	6.9
215.14291	7.5
217.10173	3.6
219.11574	7.0
220.12404	6.3
221.13235	9.7
221.15341	24.8
222.13699	5.6
223.14767	11.8
224.15273	4.1
225.16373	8.1
227.14340	3.6
231.11578	4.4
233.13239	6.7
233.15303	33.0
234.13741	5.6
234.15956	7.3
235.14774	10.9
237.16396	7.7
239.14268	6.1
239.17885	6.3
246.13866	5.3
247.14569	5.5
248.15346	3.9
249.16418	5.3
251.17995	5.1
255.17459	7.1
257.19211	4.0
259.14813	5.4
263.17957	7.0
265.19345	4.3
269.19037	9.0
273.16281	4.4
275.17880	5.7
276.18781	3.3
277.19482	3.8
281.19009	6.5
283.20554	5.7
285.18607	5.5
287.20038	6.5
295.20450	7.5
299.19888	4.4
349.25241	5.0
365.24713	6.6
367.26175	5.0
375.26810	4.7
440.94135	3.4
459.99078	3.7
565.40405	7.5
583.41003	13.1
601.42358	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	601.388
Annotation	3-beta-O-(E)-coumaroyl-D:C-friedooleana-7,9(11)-dien-29-oic acid
Peak:m/z	Relative Intensity
51.58063	0.2
53.03934	0.3
55.05504	1.4
57.07059	0.6
65.03913	1.7
67.05495	2.2
67.27095	0.3
69.03378	0.2
69.07057	2.0
69.46659	0.4
69.47065	1.6
71.08621	0.4
77.03918	0.3
79.05477	1.8
79.84197	0.2
81.03389	0.2
81.07047	4.7
83.08611	1.2
89.97877	0.2
91.05469	12.7
93.07034	4.4
95.04942	0.4
95.08595	7.6
97.10162	0.7
105.07018	5.0
107.08579	7.5
109.06542	0.3
109.09435	0.4
109.10143	4.9
111.11711	0.4
117.07013	0.6
119.04926	26.9
119.08561	4.8
121.10124	6.6
123.08188	0.2
123.11703	2.0
129.06985	0.4
131.08545	2.2
133.10114	4.7
135.11673	7.6
137.13237	2.3
142.07686	0.2
143.08566	0.7
145.10114	3.3
147.04387	100.0
147.11658	3.7
148.04712	1.0
149.09517	0.3
149.13234	5.1
151.14748	0.5
157.10109	1.0
159.11664	2.5
160.12355	0.2
161.09554	0.2
161.13223	2.6
163.14767	0.7
165.05516	0.5
167.10703	0.4
171.11664	1.4
173.13200	2.0
175.14803	2.2
177.16362	7.5
183.11649	0.3
185.13278	1.2
187.14830	3.3
189.16350	3.1
191.17905	2.5
197.13153	0.3
199.14828	0.6
201.16347	3.5
203.16005	0.6
203.17924	11.6
205.15822	1.0
205.19389	0.3
213.16403	1.8
215.17912	1.7
217.19514	0.9
219.13879	0.2
221.15291	0.3
225.16402	0.3
227.17850	0.4
233.15335	0.8
241.19438	1.2
243.20992	0.5
247.16924	0.5
253.19496	0.2
255.21007	0.7
259.16852	2.1
261.18484	0.8
267.21024	0.5
269.22830	0.5
271.16986	0.3
272.93265	0.2
281.22430	0.3
285.18579	0.3
287.20001	0.8
299.20001	0.4
301.21567	0.3
313.21445	0.6
327.23077	0.3
339.94873	0.2
355.26791	0.3
367.26099	0.3
391.33426	1.9
393.31430	1.1
419.33017	0.4
437.34094	13.9
438.34253	0.6
478.99548	0.2
601.37982	5.9
602.37457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.05503	15.5
57.07073	16.4
59.04993	4.1
65.03922	5.7
67.05495	25.1
69.03419	16.9
69.07054	19.4
79.05480	29.4
81.03410	2.6
81.07049	37.4
83.04967	16.5
83.08604	8.9
85.06525	8.0
89.06003	4.2
91.05462	50.6
92.06219	2.7
93.07030	72.5
95.04954	24.3
95.08595	36.3
97.06511	11.0
103.05479	3.0
105.07015	86.3
106.07847	3.6
106.49981	1.9
107.04908	4.3
107.08580	56.5
108.05725	2.4
108.08907	2.5
109.06502	22.4
109.10139	20.5
111.08064	6.0
113.09649	2.2
115.05431	4.7
117.06991	21.9
119.04922	2.9
119.08566	94.0
121.06493	17.0
121.10128	49.0
122.07292	2.6
123.08048	31.8
123.11716	4.5
125.05985	7.2
125.09608	10.9
128.06187	14.5
129.06967	22.7
130.07765	9.6
131.08546	46.1
132.09315	3.7
133.06494	13.6
133.08609	2.8
133.10109	43.1
134.10426	2.5
135.08025	29.6
135.11652	15.9
136.12067	2.3
137.05994	3.8
137.09587	14.9
139.07506	3.7
141.06979	12.8
142.07756	29.7
143.08534	50.8
144.09357	13.3
145.06494	5.2
145.10104	64.5
146.10519	3.8
147.08014	37.8
147.11656	17.6
148.08836	3.6
149.09596	19.5
149.13251	3.9
151.07509	25.0
151.11162	3.7
153.06912	4.3
153.09021	3.3
154.07767	4.2
155.08524	17.0
155.10608	2.3
156.09311	20.8
157.10106	79.6
158.10895	11.5
159.08006	16.7
159.11670	38.4
160.08792	4.3
161.09599	25.2
161.13239	8.0
163.11156	18.3
165.06967	5.3
165.09099	54.3
166.07774	2.3
167.08527	11.1
167.10646	21.9
168.09259	7.4
168.10768	2.4
169.10112	29.8
170.10889	14.3
171.08098	3.7
171.11662	37.7
172.08868	5.7
172.12381	9.9
173.09596	14.1
173.13188	14.7
174.10451	2.9
175.11145	26.9
175.14748	5.2
177.09113	4.7
177.12708	4.3
179.08553	8.8
179.10576	3.3
180.09306	7.5
180.11455	2.9
181.10147	17.3
181.12074	13.4
182.10880	10.9
183.11652	25.9
184.12401	6.0
185.09578	8.5
185.13220	20.3
186.14011	2.5
187.11189	11.3
187.14784	8.2
189.12706	14.0
190.13493	10.8
191.10561	3.3
191.14249	5.9
192.09314	4.2
193.10376	14.9
193.12219	14.2
194.10858	6.1
195.11671	23.8
195.13501	3.3
196.12361	7.1
197.09447	5.4
197.11610	4.1
197.13240	23.0
198.10406	4.1
198.14082	5.1
199.11113	10.0
199.14799	8.8
200.12027	3.5
201.12764	8.6
203.14288	29.0
205.10051	5.7
206.10835	4.3
207.11703	15.0
207.13788	12.9
208.12419	6.8
208.14534	10.3
209.13239	27.4
209.15288	6.2
210.10312	3.6
210.13977	7.9
211.11130	8.6
211.14784	14.4
212.11841	3.2
212.15417	3.2
213.12767	13.4
213.16351	5.2
215.10736	2.5
215.14297	4.5
217.10187	2.5
217.16017	2.9
218.10851	3.5
219.11604	6.5
219.13797	9.4
220.12357	5.9
221.13243	11.6
221.15305	100.0
222.13812	5.7
222.15724	5.8
223.11148	4.0
223.14748	12.2
225.12711	7.2
225.16342	6.7
227.14262	5.0
229.12279	3.4
231.11710	3.8
232.12463	3.9
233.13177	8.1
233.15363	27.1
234.13939	2.7
234.16025	14.6
235.14830	10.3
235.16855	3.2
237.12686	6.6
237.14687	42.3
239.14268	4.3
243.13864	3.2
245.13312	4.8
245.15450	4.2
246.13823	4.3
246.16209	3.3
247.14810	4.8
247.16969	9.1
248.13905	14.5
249.16345	8.3
250.15759	3.3
251.14076	3.6
251.18129	2.7
253.15906	7.3
253.19429	2.2
255.17453	19.3
259.14590	5.5
259.17038	5.3
260.15567	2.8
261.16400	9.3
265.15860	3.1
265.19626	3.9
266.16513	3.2
267.17526	3.4
269.18936	5.0
270.19785	6.0
271.16995	9.8
271.20645	2.5
273.16095	3.8
273.18689	3.7
274.19250	12.1
275.17856	3.2
279.17435	6.9
281.18982	9.2
285.18475	6.1
286.19446	13.3
287.20102	14.6
294.19748	8.8
295.20605	4.2
297.18475	4.2
299.20102	19.6
303.19507	55.0
309.18576	3.4
311.20047	6.4
312.20703	6.9
313.21698	14.2
319.20422	4.0
325.21616	17.0
337.21542	8.8
347.23569	3.6
348.24588	2.3
351.23157	3.9
352.23889	90.9
359.23651	4.8
364.24030	3.0
365.24670	16.7
377.24606	4.8
383.25562	6.3
391.26212	3.5
414.27548	3.3
420.30075	2.8
454.30908	3.6
487.32080	3.7
502.34332	9.0
503.35132	4.7
505.33234	3.2
507.34827	15.6
508.35077	14.1
520.35406	55.8
567.37946	2.8
582.40289	5.7
583.41205	2.8
585.39136	3.9
600.41455	50.0
601.41833	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	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.01869	3.7
55.05505	17.8
57.07058	17.3
59.04997	8.7
62.85411	2.9
67.05493	28.0
69.03415	21.1
69.07056	16.5
70.81644	7.7
71.05019	2.4
79.05473	29.5
80.06250	3.2
81.07046	38.7
82.52958	2.8
83.04983	21.3
83.08607	9.0
84.63580	2.4
85.06528	8.2
85.97410	2.7
89.72404	2.7
91.05468	54.2
93.07034	77.1
95.04958	27.4
95.08595	41.1
97.06496	13.5
103.05469	3.3
105.07015	85.5
107.08576	61.9
109.06503	21.3
109.10131	17.9
111.08052	4.0
117.07005	28.7
119.08562	86.4
120.09435	2.8
121.06500	22.5
121.10129	51.0
122.07280	3.5
123.08047	32.6
123.11665	3.6
125.06020	10.1
125.09631	7.2
125.51797	2.5
126.43147	2.7
128.06215	13.2
129.06979	24.0
130.07774	10.8
131.08554	46.1
132.09274	3.5
133.06491	8.1
133.10109	46.3
133.11064	3.5
134.10558	2.3
135.08038	29.1
135.11702	11.9
137.05933	4.7
137.09610	16.3
139.07529	7.9
139.11186	3.5
141.07004	11.0
142.07776	28.5
143.08543	48.0
144.09410	13.8
145.06450	3.9
145.10106	76.8
146.10664	4.0
147.08014	40.5
147.11633	12.4
148.08797	4.6
149.09590	22.3
151.07515	27.7
151.11197	5.1
153.06990	5.8
154.07809	3.2
155.08501	18.1
156.09352	20.7
157.10103	81.5
158.10895	14.8
159.08009	18.0
159.11665	37.7
160.08745	4.4
161.09575	21.5
161.13280	8.5
163.11151	20.1
165.06953	10.1
165.09087	49.0
166.09494	3.3
167.08626	8.8
167.10629	16.8
168.09308	7.5
169.10109	28.7
170.10887	15.0
171.08044	3.3
171.11656	37.5
172.12357	4.5
173.09579	12.3
173.13217	15.5
174.10434	3.8
175.11169	24.8
175.14809	6.3
176.11894	5.8
177.09055	3.8
177.12743	6.5
179.08553	11.5
179.10709	6.4
180.09274	5.8
180.11450	2.8
181.08748	4.0
181.10121	18.8
181.12166	20.7
182.10907	11.0
183.11647	30.3
184.12415	5.6
185.09639	4.6
185.13231	22.4
186.10423	4.2
186.13879	3.1
187.11084	13.0
187.14795	3.4
189.12679	23.3
190.13503	11.6
191.10545	2.8
191.14258	5.6
192.09428	2.5
192.11528	2.8
193.10400	12.5
193.12038	13.6
194.10872	9.8
194.12849	5.6
195.11690	28.4
195.13528	5.0
196.12430	7.6
197.09579	5.3
197.11708	3.5
197.13184	18.4
198.10413	4.3
198.13962	3.1
199.11124	10.1
199.14810	10.5
201.12752	9.5
203.08679	2.9
203.14265	30.4
205.10110	4.8
205.12070	3.4
206.10910	6.3
207.11713	19.9
207.13805	24.2
208.12410	7.3
208.14581	7.1
209.09703	3.1
209.13258	24.0
209.15308	6.5
210.10443	5.0
210.13977	7.6
211.11151	10.8
211.14806	13.3
213.12790	11.7
215.14270	4.9
217.10252	3.4
217.15825	5.4
219.11705	6.3
219.13811	7.9
220.12538	5.5
221.13228	13.1
221.15308	100.0
222.13902	5.4
222.15804	8.0
223.11201	5.3
223.14821	12.0
225.12724	7.5
225.16403	9.8
227.14247	5.6
229.15845	4.7
231.11749	3.9
232.12415	4.7
233.13226	11.3
233.15399	23.8
234.14063	3.3
234.16064	17.8
235.14764	9.8
235.16876	5.3
236.15561	4.1
237.12663	6.9
237.14603	29.4
239.14365	6.0
239.17953	4.5
241.15804	3.7
245.13216	5.2
247.14702	7.3
247.16992	11.9
248.13846	5.8
249.16380	8.3
251.14328	5.7
253.15871	7.8
255.17404	16.0
257.15421	3.1
259.14709	4.3
259.17111	6.1
261.16428	7.3
263.17987	4.9
265.15836	3.2
265.19577	4.3
269.18857	3.6
270.19873	5.7
271.16940	8.6
273.18665	3.9
274.19202	10.7
279.17404	8.4
281.19016	7.0
285.18677	4.0
286.19205	22.6
287.20123	9.5
294.19778	6.2
297.18591	5.5
299.20175	16.4
300.20560	4.0
303.19489	34.9
307.20554	3.4
309.18640	3.4
311.20084	5.9
312.20804	7.5
313.21545	18.3
325.21579	43.2
337.21570	10.0
347.23633	3.2
352.23892	71.7
365.24722	43.2
378.25430	3.4
383.25787	7.8
392.26605	3.6
437.30643	3.7
502.34235	7.8
503.35483	3.7
505.33371	5.2
507.34750	40.7
508.35004	6.0
520.35529	42.1
548.97894	3.1
567.38177	3.4
582.40436	9.8
583.41248	7.6
585.39197	5.7
600.41382	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29861	3.1
53.03933	5.4
55.01852	8.1
55.05499	14.8
57.07061	12.2
67.05501	25.3
69.03429	15.0
69.07053	11.1
70.81339	10.0
71.04990	7.1
75.19781	3.2
79.05486	19.9
81.07043	26.2
81.86230	3.6
83.04976	9.1
83.08611	18.3
85.06577	4.6
89.06028	4.3
91.05464	30.3
93.07032	44.4
95.04962	14.2
95.08607	35.1
97.06517	32.3
98.84003	3.3
105.07021	49.0
107.08580	34.9
109.06510	8.9
109.10126	19.9
111.08057	6.8
113.09658	11.1
117.06997	11.9
119.08569	50.7
120.08898	5.8
121.06522	9.5
121.10141	27.4
122.10413	4.2
123.08067	23.3
123.11693	4.8
125.06008	7.7
125.09631	11.4
128.06203	4.3
129.06989	9.7
130.07738	5.0
131.08585	21.6
132.09088	3.8
133.06493	5.6
133.10107	22.5
135.08078	17.5
135.11679	8.6
137.09625	14.8
139.11169	15.9
142.07755	11.9
143.08539	25.9
144.09262	6.9
145.06439	13.8
145.10107	42.0
146.10538	4.0
147.08038	19.5
147.11703	11.1
148.08607	4.0
149.09592	8.3
151.07552	13.1
155.08522	10.0
155.10629	11.8
156.09331	10.1
157.10135	37.9
158.10876	4.1
159.08055	12.8
159.11673	24.8
160.08815	76.0
161.09619	10.9
161.13235	8.4
163.11189	13.0
165.09094	46.5
166.09445	8.9
167.08511	3.7
169.10162	16.0
170.10750	5.8
171.11670	18.3
172.12311	5.9
173.09615	9.7
173.13277	11.8
175.11157	14.0
179.08481	6.1
179.14288	6.2
181.10115	8.8
181.12248	30.3
182.10733	4.6
183.11642	11.1
184.12228	4.5
185.09682	4.5
185.13251	11.8
186.10384	4.7
187.11165	5.0
189.12813	7.5
190.13477	6.2
191.10661	5.4
193.10106	4.7
193.12210	8.4
195.11664	12.6
195.13782	4.7
196.12379	7.1
197.13252	15.6
199.14894	7.7
200.11539	3.3
201.12770	4.7
203.14296	21.3
204.14761	5.6
207.11790	7.4
207.13777	8.3
208.12440	4.8
208.14511	10.1
209.13313	19.5
211.14813	9.3
217.66942	3.8
221.13394	7.3
221.15343	100.0
222.15640	26.9
222.30116	3.8
223.14769	11.4
224.15242	6.2
225.16156	4.4
231.17494	4.0
233.15280	7.5
234.16077	17.7
245.15450	4.4
246.16063	6.4
247.16936	20.0
251.18010	4.8
269.19058	4.4
271.16873	7.0
285.18607	6.1
286.19214	33.4
287.20087	9.9
299.20050	20.9
300.20700	11.0
311.20123	10.6
312.20792	10.8
313.21548	10.3
325.21548	10.4
352.23926	34.6
365.24710	10.1
374.24796	4.3
379.26227	4.0
400.25803	5.0
414.27997	4.0
419.29398	5.7
427.28442	5.4
440.29269	37.8
507.35001	5.6
508.34677	4.5
520.35394	37.3
600.41370	56.1
600.50073	5.5
627.12854	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	600.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.05500	10.0
57.07060	12.7
64.31770	4.1
67.05499	16.0
69.03419	8.0
69.07044	7.5
69.51231	7.9
69.51635	22.6
79.05484	12.8
81.07060	28.6
83.04971	7.9
83.08641	3.4
85.06528	6.1
87.46445	3.4
91.05470	33.9
93.07024	36.6
95.04970	12.8
95.08604	25.1
97.06503	3.8
98.21259	13.3
103.05458	3.9
104.50229	3.0
105.07017	56.0
105.07677	5.1
106.07799	4.5
107.08589	25.4
109.06506	16.6
109.10136	11.9
111.08056	5.8
115.05395	4.4
117.07005	12.1
119.08561	67.5
120.09329	3.8
121.06483	9.3
121.10132	24.6
123.08067	23.4
125.05959	12.0
128.06161	6.3
129.06982	10.5
131.08566	26.2
131.72916	3.5
132.09358	3.2
133.06476	5.2
133.10110	29.9
135.08058	17.9
135.11658	9.6
137.09589	18.5
141.06989	6.2
142.07738	8.8
143.08562	23.8
144.09274	6.8
145.06456	4.3
145.10091	40.8
147.08029	29.4
147.11676	9.2
149.09628	13.0
151.07578	14.3
155.08577	12.1
156.09276	7.5
157.10110	47.0
158.11017	5.9
159.08058	6.4
159.11665	24.6
160.08754	4.0
161.09584	15.6
161.13272	5.5
163.11191	19.1
165.09096	44.0
166.09464	5.9
167.08582	4.0
169.10078	16.7
171.11635	19.4
172.12271	4.3
173.09586	7.4
173.13219	9.3
175.11160	15.7
175.14809	5.1
177.09087	4.0
179.08521	4.3
181.10080	8.1
181.12161	16.6
182.10913	5.9
183.11630	17.8
184.12396	3.3
185.09613	6.3
185.13263	7.8
187.11174	6.4
187.14764	4.8
188.11942	3.8
189.12752	6.4
190.13568	7.8
191.10649	4.5
193.12257	11.9
195.11678	14.6
196.12517	3.0
197.13263	15.1
199.11130	3.7
199.14906	4.7
201.12772	9.8
203.14287	22.9
204.14709	3.8
207.11786	6.4
207.13763	7.4
208.14461	4.5
209.13280	9.6
211.14851	5.3
213.12775	8.6
215.14326	3.6
219.13705	4.2
221.13455	3.8
221.15327	100.0
222.15677	18.6
223.14931	4.8
225.12685	7.6
225.16301	4.4
229.15965	3.7
233.15498	4.9
234.14104	3.9
234.16159	15.2
236.15421	4.0
237.12685	4.8
247.16942	26.0
248.17555	5.0
249.16383	4.2
267.17224	5.4
274.19312	8.4
285.18417	5.0
286.19171	5.6
287.19876	10.6
299.19995	12.7
311.20258	5.7
312.20599	7.4
313.21411	3.6
325.21536	20.0
327.23105	4.4
339.23358	5.9
340.23816	16.9
352.23969	23.5
365.24637	8.8
379.26077	4.2
387.25372	5.1
392.26822	5.4
413.26920	6.2
420.30063	4.3
423.74976	4.1
425.26773	7.8
427.28177	16.0
440.29211	37.7
507.34320	4.0
508.34918	5.3
520.35394	46.5
582.80121	4.2
585.38940	3.8
600.41406	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	600.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	0.3
57.03409	0.2
59.92305	0.2
60.69764	0.2
61.02879	0.3
67.05482	0.4
69.03418	1.2
69.53100	1.9
81.03382	0.3
85.02892	2.0
85.06516	0.2
91.04011	0.2
91.05457	0.9
93.07006	0.3
95.08622	0.5
97.02876	1.0
98.97575	0.7
105.07014	0.6
107.04942	0.8
107.08550	0.3
109.02881	0.4
109.06518	0.3
115.05453	0.6
116.06200	0.2
116.98643	0.4
117.06968	0.6
119.08585	0.4
121.06441	0.4
121.10143	0.2
123.08044	0.3
127.03882	0.5
128.06194	1.1
129.06993	3.4
131.04919	0.4
131.08553	4.4
132.56425	0.2
133.06496	1.0
133.10115	0.6
137.05923	0.3
140.38834	0.2
141.06955	1.2
142.07767	0.5
143.08574	1.1
144.05692	1.9
145.06488	1.2
146.07230	0.6
147.04373	0.5
147.07999	0.3
147.11676	0.3
153.01805	0.6
153.06958	0.5
155.05963	0.2
156.05612	0.4
157.06485	2.2
158.07260	0.4
159.08032	9.3
161.06030	0.6
161.09602	2.3
162.07555	0.2
167.07034	1.0
169.06366	0.5
169.07639	0.6
170.07263	1.7
171.04263	0.3
171.08038	1.9
172.05174	0.6
173.05992	1.1
174.06677	0.5
175.07420	1.1
178.06340	0.3
180.08640	0.3
181.06413	0.3
185.05981	0.2
187.07503	7.0
188.08238	0.4
189.05426	0.5
189.09073	2.8
190.06213	0.3
191.07057	0.5
193.08572	0.5
195.10316	0.3
198.06662	0.6
199.07530	1.4
203.06981	1.3
204.07800	4.0
205.08537	0.7
206.09505	0.2
207.10139	0.3
207.13873	0.2
216.07767	1.5
217.08649	0.3
218.09406	0.5
219.10132	1.8
221.08006	0.2
221.11702	1.1
231.10144	2.9
233.11647	0.4
234.08676	0.2
237.11153	0.7
249.11179	100.0
250.11514	1.0
267.12228	5.2
281.10571	0.2
287.05606	0.4
305.10852	0.2
323.11658	0.4
350.73557	0.2
406.17371	1.6
406.67593	2.8
407.17899	1.2
407.67981	0.4
426.14294	0.3
504.18063	0.2
537.09155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	0.3
69.03403	0.8
71.04935	0.5
71.36006	0.6
71.36361	0.3
73.02863	0.3
74.61588	0.3
79.05454	0.8
81.03383	0.5
81.07046	0.5
83.04986	0.3
85.02889	1.3
90.78157	0.2
91.05446	1.0
93.07018	0.5
95.04911	0.5
97.02856	0.8
103.05461	0.3
105.06990	0.9
106.94207	0.3
107.04944	1.7
107.08561	0.3
109.02849	0.2
109.48727	0.3
115.05425	0.9
116.06245	0.4
117.06988	0.7
121.06456	0.7
122.03627	0.3
123.04390	0.4
127.03899	0.3
128.06183	1.6
128.83919	0.2
129.06975	4.0
131.04918	0.4
131.08537	5.9
133.06458	1.2
133.10101	0.7
135.08069	0.3
137.05966	0.7
141.06972	1.9
142.07668	0.3
143.04916	0.3
143.08539	1.2
144.05695	1.3
145.06459	2.2
146.07237	0.6
147.04367	0.4
147.08159	0.4
153.01836	0.3
153.06975	0.5
155.06032	0.3
156.05641	0.5
157.06461	2.0
157.34433	0.3
158.07214	0.8
159.08032	10.5
161.05983	0.9
161.09598	2.8
167.07025	1.9
169.06407	0.8
169.07614	0.6
170.07324	1.5
171.08023	1.7
172.05162	0.9
173.05933	0.9
173.09573	0.5
174.06728	0.7
175.07495	1.0
177.05440	0.4
177.08937	0.3
178.06110	0.3
179.05553	0.6
179.07005	0.4
181.08633	0.3
183.06508	0.3
185.05936	0.5
187.07507	7.8
188.08289	0.3
189.09055	3.9
191.06953	0.6
192.07816	0.5
193.08528	1.0
198.06767	0.8
199.07487	1.3
201.05382	0.3
201.09000	0.4
203.06963	1.0
204.07759	5.4
205.08549	0.8
206.09358	0.6
207.10020	0.4
207.70792	0.3
211.09618	0.4
212.10008	0.4
216.07820	1.5
217.08626	0.7
218.09259	0.5
219.10199	2.3
221.07993	0.4
221.11578	1.4
231.10172	2.6
233.11630	1.7
234.08707	0.3
237.11124	0.6
249.11172	100.0
250.11505	0.9
251.12735	2.8
253.14238	0.3
267.12244	5.5
294.60953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74900	0.2
52.87763	0.1
53.03926	0.2
54.84299	0.1
55.01858	0.2
57.03429	0.3
58.20724	0.2
60.04504	0.1
67.05497	0.2
69.03400	0.7
70.86951	0.4
71.05018	0.1
81.03413	0.3
85.02889	1.6
91.05442	0.7
93.07030	0.1
95.04889	0.2
97.02863	0.6
105.07019	0.5
107.04929	0.4
109.02893	0.2
115.05405	0.7
116.06222	0.3
117.07005	0.5
121.06512	0.2
127.03883	0.4
128.06195	1.4
129.06981	3.6
131.04884	0.3
131.08554	4.4
132.05676	0.2
133.06488	0.8
133.10104	0.4
133.72281	0.1
136.78699	0.1
136.79845	0.1
137.05971	0.2
141.06944	1.3
142.07753	0.6
143.04909	0.2
143.08554	1.1
144.05663	1.8
145.04974	0.2
145.06450	1.3
146.07195	0.6
147.04352	0.2
147.08015	0.2
153.01797	0.4
153.06964	0.6
155.05994	0.2
157.06479	2.0
158.07231	0.3
159.08034	9.9
160.08740	0.2
161.05988	0.7
161.09621	2.7
162.07704	0.2
163.07445	0.2
167.07039	0.8
169.06403	0.4
169.07608	0.6
170.07243	1.8
171.08002	1.9
172.05159	0.6
173.05957	1.1
174.06717	0.5
175.07491	0.9
178.06245	0.3
180.08662	0.3
185.05968	0.2
186.06776	0.3
187.07516	7.2
188.08298	0.3
189.05435	0.5
189.09067	3.4
190.06227	0.4
191.07034	0.4
192.07849	0.3
193.08543	0.3
198.06668	0.5
199.07497	1.2
201.05458	0.3
203.06981	1.2
204.07785	4.2
205.08582	0.7
206.09348	0.5
207.10191	0.3
216.07803	1.2
217.08601	0.5
218.09348	0.5
219.10147	2.1
221.08061	0.4
221.11678	1.3
231.10133	2.6
234.08833	0.5
237.11162	0.5
249.11180	100.0
250.11583	1.2
267.12250	5.0
268.12360	0.2
406.06171	0.2
411.16415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00256	1.1
53.03936	2.0
55.05511	15.8
57.03405	3.4
57.07064	2.4
65.03926	1.3
67.05496	40.6
69.07058	16.5
71.04990	1.5
71.45396	1.8
71.88222	1.1
72.57619	1.2
72.60411	1.0
79.05479	24.8
81.07047	40.5
81.48306	1.2
83.08589	6.7
85.06521	1.7
91.04958	1.5
91.05470	17.9
91.47404	1.3
93.07029	27.2
94.07354	1.3
95.04966	2.8
95.08595	37.6
97.06516	3.6
97.10142	4.3
98.21022	1.5
101.81258	1.2
104.08419	1.1
105.07023	20.7
107.08578	24.3
109.06452	1.8
109.10145	17.3
111.11708	1.7
117.07012	7.4
119.08575	18.6
121.10126	15.5
123.11691	6.6
125.09608	2.3
129.06978	3.0
131.08560	15.7
133.10124	13.2
135.11662	11.3
137.13251	1.9
142.07849	1.3
143.08615	5.6
145.10091	16.5
147.08031	1.4
147.11620	9.4
149.13257	6.2
155.08473	1.2
157.10117	6.5
159.11674	10.9
161.13232	10.1
163.11203	1.2
163.14789	3.4
165.16273	1.5
169.10045	2.8
171.11719	6.1
173.13240	7.6
175.14780	3.7
177.16331	2.2
181.71011	1.2
183.11713	2.1
185.13239	4.3
187.14757	5.8
189.16245	1.4
189.75267	1.2
197.13216	1.3
199.14864	3.0
201.16379	2.9
213.16415	2.2
215.17992	2.4
219.21106	1.4
221.15314	2.1
227.17964	2.9
229.19568	1.2
245.18965	2.4
247.20560	3.9
259.20526	2.9
261.22226	4.2
273.22299	1.7
276.72714	1.3
285.22183	1.6
290.48639	1.3
319.22665	2.3
321.24142	6.3
323.25769	3.9
327.26639	1.3
333.24225	3.3
335.25864	7.3
337.27393	4.8
446.35706	1.2
489.35309	2.3
503.37415	1.5
506.57092	1.6
507.41675	4.4
515.37384	1.4
517.39075	1.6
525.42871	3.2
571.43774	1.6
581.45404	12.6
599.46552	100.0
600.46869	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.4
55.05505	3.6
57.03396	0.6
57.07067	5.6
59.04959	2.3
60.30435	0.5
63.22659	0.5
65.03914	0.9
67.05495	7.9
69.03419	7.5
69.07053	3.4
71.04945	0.6
73.14399	0.5
79.05484	8.4
81.03365	2.3
81.06586	0.6
81.07043	11.7
83.04968	3.0
83.08564	1.8
85.06531	3.0
91.05466	15.6
93.07030	22.5
95.04456	0.5
95.04958	6.6
95.08051	0.8
95.08593	12.3
97.06526	3.3
103.05428	1.1
105.07014	22.1
107.04899	1.0
107.07867	0.6
107.08574	12.8
109.05851	0.6
109.06507	6.2
109.09464	0.6
109.10150	5.9
111.04434	1.1
111.08070	2.0
115.05405	0.6
117.06985	5.2
119.04926	0.6
119.08561	25.8
121.06496	4.9
121.09292	0.9
121.10124	13.1
123.07189	0.7
123.08055	11.4
123.11653	1.0
125.05979	3.8
125.09534	0.6
127.03897	0.7
128.06181	2.2
129.06987	4.6
130.07732	1.2
131.08540	10.3
133.06442	2.1
133.10110	11.8
135.07083	0.9
135.08037	11.1
135.11658	5.2
137.05934	1.2
137.09593	13.0
139.07507	0.9
141.06958	2.4
142.07771	4.6
143.08530	8.9
144.09325	2.5
145.06441	1.2
145.10114	13.7
147.04433	0.8
147.08020	22.3
147.11655	3.5
148.08812	0.9
149.09575	3.9
151.07515	10.7
151.11125	0.9
153.06938	0.9
153.09065	0.6
154.07764	1.0
155.08516	4.9
156.09341	4.7
157.06516	0.7
157.10104	16.3
158.07219	0.5
158.10851	1.4
159.08063	3.4
159.11667	10.0
160.12363	0.5
161.09598	6.1
161.13199	5.6
163.07448	0.6
163.11159	6.4
165.09090	48.3
166.07767	0.6
167.08511	2.1
167.10577	0.6
168.09319	2.4
169.10095	7.5
170.10948	2.6
171.08012	1.0
171.11682	9.3
173.09601	4.2
173.11865	0.9
173.13245	3.7
174.10413	1.3
175.11176	2.4
175.14796	2.1
177.09065	2.2
177.12708	1.2
179.08527	1.6
179.10675	0.7
180.09293	0.8
181.10132	3.4
181.12192	7.1
182.10889	2.1
183.08005	0.7
183.11684	11.1
184.12358	0.8
185.09587	1.4
185.13251	7.1
187.11076	2.7
187.14740	2.5
189.12706	3.5
191.10637	3.7
191.14288	1.9
192.11273	0.8
193.10196	3.1
193.11891	0.7
194.10873	1.9
195.11667	4.3
195.13727	1.4
196.12419	2.0
197.09612	0.9
197.13205	5.3
198.10442	0.9
199.11275	2.5
199.14777	1.4
201.12685	1.4
203.14284	18.4
205.10228	0.6
206.10852	0.9
207.11670	2.0
207.13776	6.0
208.12555	1.1
209.09581	0.8
209.13205	4.7
209.15106	1.1
211.11191	2.3
211.14836	6.1
213.12743	1.9
214.13417	0.5
215.14299	1.7
217.12193	1.1
219.11728	1.1
220.12413	1.2
221.15331	100.0
222.15697	1.4
222.84789	0.5
223.11244	1.1
223.14699	1.5
225.12721	1.4
225.16299	1.3
227.14336	2.1
229.12206	1.2
229.15886	1.8
229.77573	0.7
231.11736	1.0
231.13812	2.0
233.13200	1.2
233.15356	2.4
235.14905	1.1
235.17049	1.0
237.12617	0.9
239.14270	1.3
239.18088	0.7
247.14522	1.3
247.16919	16.3
249.16379	1.6
251.14183	0.9
253.15900	0.8
257.19214	0.6
261.18594	1.2
263.17880	1.4
265.15732	0.9
267.17435	0.8
269.18842	0.6
271.16846	1.4
281.18909	2.0
285.18546	0.6
286.19266	1.1
287.20001	6.5
299.20169	5.3
301.21619	1.8
305.19019	0.6
311.19992	1.8
312.20874	0.7
313.21536	2.1
325.21487	2.5
327.23370	2.6
335.20142	0.8
365.24710	5.2
373.25522	1.1
391.26318	8.5
413.26880	1.5
419.29517	3.2
427.28375	6.2
441.29877	0.9
453.29916	1.2
479.31909	0.6
507.34686	8.3
519.34607	2.6
581.39813	2.9
599.40863	92.1
600.40967	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	599.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01862	15.5
55.05502	30.1
57.03430	13.6
57.06851	1.2
57.07071	12.2
57.95978	1.2
59.04995	6.6
61.02895	1.5
65.03925	3.8
67.05496	100.0
69.03418	31.9
69.07056	12.3
69.62615	1.2
69.66368	4.0
69.66780	5.0
71.01343	4.1
71.04985	7.5
71.37228	1.2
73.02895	4.1
79.05048	2.5
79.05480	32.7
81.03405	76.1
81.07048	40.3
83.04972	22.4
83.08607	15.2
85.02898	14.1
85.06516	3.3
87.04470	1.5
88.14336	1.3
91.05466	30.7
93.07027	25.5
95.04960	18.5
95.08595	20.6
97.02875	29.8
97.03492	1.7
97.06539	6.6
97.10154	16.6
98.07298	1.9
99.04426	6.5
99.08040	2.2
101.05963	1.6
103.05422	1.4
105.07018	14.8
107.04953	9.5
107.08580	17.3
109.02877	10.1
109.06491	5.6
109.10142	71.9
110.10422	1.6
111.04442	13.5
111.08041	10.3
115.03919	3.3
117.07005	6.4
119.08564	18.7
121.06523	5.3
121.10131	12.9
123.04420	3.0
123.08061	5.6
123.11658	3.5
125.02382	2.3
125.05997	2.2
125.09612	18.7
127.03916	9.1
127.11165	3.7
128.06262	1.5
129.05460	4.8
129.06976	6.4
131.08525	9.7
133.06461	1.5
133.10118	9.5
135.04428	2.0
135.08063	3.7
135.11673	6.0
137.05965	1.7
137.09586	6.4
139.11150	2.5
141.07037	1.4
143.03366	5.2
143.08505	2.4
145.06474	2.1
145.10101	8.1
147.08046	3.8
147.11661	7.8
149.09566	7.0
149.13290	2.7
151.07382	1.6
151.11171	2.3
153.09100	1.6
153.12726	2.6
155.10670	4.2
157.10133	5.8
159.11572	2.0
161.09569	2.7
163.11151	6.6
165.09068	1.9
169.10112	1.9
171.06505	2.0
171.11656	3.2
173.04477	2.1
173.11731	23.3
175.11179	4.1
181.12311	3.3
183.06514	2.3
187.11177	2.3
189.11223	7.3
191.10646	4.0
193.12184	10.3
199.05988	1.6
205.12221	1.5
209.11728	5.4
211.13249	8.4
212.28961	1.3
213.11377	1.5
219.13802	1.3
221.15350	1.8
223.13220	3.3
227.12759	11.5
229.14284	11.2
245.13782	1.8
257.13797	2.1
267.15826	2.6
269.14001	2.6
269.17401	1.9
271.15610	1.9
283.15436	4.7
299.15051	6.8
306.85117	1.3
315.14188	2.1
353.15976	2.0
355.17270	7.7
355.24579	1.5
366.28970	1.4
371.16882	3.6
371.24100	2.6
427.19809	3.2
437.25293	3.3
455.26514	2.6
505.79819	1.6
525.27020	2.1
572.30762	1.5
572.76117	1.6
581.29944	5.9
582.29791	2.5
599.30475	44.4
599.40186	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.29
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08057	1.9
52.77997	1.8
53.03934	4.3
55.01865	3.5
55.05495	6.6
67.05497	8.7
69.03418	9.4
69.07045	10.5
70.18484	10.7
71.04987	9.2
76.38951	2.0
79.05477	11.6
81.03405	16.7
81.07053	27.0
83.04975	15.5
83.08580	3.2
85.02896	13.5
85.06535	6.6
85.07636	5.1
91.05476	6.8
93.07037	36.9
95.04967	13.8
95.08595	15.6
97.02884	8.6
97.06514	21.3
99.04465	14.9
105.07019	22.2
107.04939	15.6
107.08588	21.2
109.02858	28.8
109.06515	20.6
109.10161	5.0
111.08089	10.7
113.05999	6.3
117.07017	2.6
119.08575	13.1
121.06492	44.3
121.10121	5.2
123.08054	5.6
123.11688	5.7
125.05941	9.9
127.03905	23.4
127.07561	7.6
130.95161	1.9
131.07027	6.0
131.08516	5.3
133.06467	2.6
133.10110	14.0
135.04407	2.5
135.08044	13.6
135.59814	2.5
137.05945	6.6
137.28769	2.2
139.07530	15.8
143.07010	8.6
143.08560	6.4
145.04947	2.6
145.10126	8.7
147.11679	39.9
149.08095	3.4
149.13289	2.4
151.11143	2.8
153.09084	2.3
157.08600	7.0
157.10112	9.3
159.08109	2.2
161.13246	6.4
165.12781	16.0
169.12262	5.0
171.11691	13.3
171.12956	2.0
173.09618	4.4
175.11162	23.5
181.10130	2.9
187.06023	12.3
189.09093	2.3
189.12730	18.2
193.12201	25.3
199.11186	15.0
203.10748	2.8
205.07117	6.3
207.13742	11.5
211.13280	18.9
217.12221	61.9
229.14357	5.6
235.13266	81.6
251.35674	2.3
253.14328	100.0
257.13828	2.4
271.15332	15.8
289.16464	3.9
308.86053	2.3
311.13217	2.6
313.16510	3.7
335.13333	6.6
337.16455	2.4
343.15335	4.0
361.16422	9.4
379.17374	18.2
384.49176	2.2
397.18460	24.9
415.19412	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	599.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01855	4.2
55.05505	8.2
57.03411	3.0
67.05490	14.0
67.23945	2.6
69.03422	11.2
69.07066	11.0
71.04980	8.8
71.62073	4.2
73.02894	2.4
79.05483	16.9
81.03411	22.7
81.07043	38.3
83.04955	14.9
83.08611	4.2
85.02892	10.0
85.06532	8.6
85.86581	2.0
87.04479	3.1
91.05466	12.9
93.07027	35.6
95.04952	18.9
95.08606	15.2
97.02896	11.3
97.06508	22.3
99.04428	17.3
101.06005	2.4
103.05480	3.5
104.56647	2.7
105.07010	30.6
107.04927	5.2
107.08572	19.7
109.02866	30.9
109.06475	22.4
109.10121	6.1
111.04392	2.9
111.08080	13.1
113.05999	9.5
117.06982	4.7
119.04948	2.7
119.08566	15.1
121.06479	55.8
121.10143	8.8
123.04453	2.6
123.08051	8.3
123.11673	3.1
125.06010	12.8
127.03893	29.5
127.07544	8.8
129.07001	6.3
131.07019	4.4
131.08568	5.2
133.06465	11.3
133.10109	15.8
135.04393	4.2
135.08032	12.8
137.05927	11.4
137.13200	2.3
138.57616	2.0
139.07480	16.5
141.05472	3.4
143.07022	11.6
143.08586	5.3
145.04955	3.3
145.10098	10.4
147.11676	46.8
149.05962	7.7
149.08066	4.0
149.09442	2.7
149.13280	5.7
150.06720	4.6
151.07562	3.4
153.09064	3.2
156.09418	2.7
157.06511	2.9
157.08626	6.9
157.10126	13.0
159.07941	3.1
161.05980	4.3
161.09627	3.7
161.13239	8.4
163.03915	2.4
163.07500	3.6
163.11179	2.4
165.09077	9.2
165.12758	20.9
167.07050	7.2
167.09207	5.4
169.08621	2.4
169.12242	7.5
171.11635	11.8
175.11151	34.5
181.08624	3.2
187.06012	8.8
189.12689	19.0
191.07111	2.9
191.14180	3.1
193.08560	23.3
193.12221	30.3
199.11163	14.9
205.07088	5.1
207.13799	15.1
207.15527	2.3
209.08087	12.6
211.09599	39.1
211.13271	20.5
217.12209	59.3
229.14398	6.9
233.11803	2.7
235.13255	82.0
236.13489	3.1
249.11272	3.6
253.03015	2.5
253.14310	100.0
254.14395	3.2
271.15344	15.8
289.16483	6.4
295.15613	2.7
313.16428	4.1
316.05664	2.8
319.15369	3.2
335.13351	4.5
343.15384	4.6
361.16492	8.4
379.17203	16.9
397.18515	25.0
404.55490	2.4
415.19437	5.2
599.43561	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	598.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15237	0.3
53.03931	0.4
55.01866	0.6
57.03426	0.5
61.02906	1.1
67.05469	0.7
69.03431	2.0
69.07047	0.5
71.04986	1.0
73.02888	0.6
79.05479	0.9
80.06774	0.3
81.03399	1.7
81.07036	1.8
83.04971	0.7
85.02894	6.7
91.05466	2.4
91.75534	0.3
93.07039	1.7
95.04959	0.5
95.08591	1.3
97.02872	2.5
97.06512	0.7
99.04411	1.1
101.06025	0.4
103.04853	0.3
103.05431	1.6
105.06996	2.0
107.04926	1.0
107.08546	1.6
109.02890	1.8
109.06509	0.5
109.10107	0.5
111.04443	0.5
111.08050	0.5
115.05430	2.1
116.06228	0.8
117.05435	0.4
117.07014	4.1
118.07235	0.4
119.04877	0.7
119.08575	0.7
121.06518	2.1
121.10131	0.5
123.04447	0.9
123.08086	0.6
123.11697	0.6
127.03914	2.1
128.06206	1.7
129.05484	0.5
129.06993	5.6
130.04155	0.4
130.07761	0.7
131.04886	1.2
131.08565	6.4
133.06451	0.5
133.10104	0.4
135.08032	0.7
137.05928	1.1
137.09608	0.5
137.13306	0.3
141.06956	1.4
143.04832	0.4
143.06920	0.5
143.08560	0.7
144.05690	3.8
145.04965	1.1
145.06476	7.9
145.10112	1.0
147.04390	1.0
147.08080	0.5
147.11661	1.3
149.05971	0.4
151.03896	0.5
153.01811	1.1
155.04872	1.3
155.06020	0.8
155.08549	0.5
156.05652	2.4
157.06476	7.7
157.10085	0.6
158.07268	3.8
159.08041	9.4
160.05177	0.4
161.05969	1.3
162.07561	0.3
163.07474	0.7
165.12793	0.5
166.04947	0.4
167.07005	2.0
169.07588	0.8
171.04373	0.4
171.11668	0.5
172.05190	1.3
173.05972	9.2
173.09589	1.6
174.06789	2.5
175.07491	1.6
175.11185	1.2
177.05431	0.4
180.08643	1.4
181.04941	0.7
184.05170	0.8
185.05949	10.4
186.06688	1.8
187.05901	0.5
187.07533	5.0
189.05457	0.8
189.09047	2.2
189.12726	0.8
190.06245	1.1
191.07005	2.5
193.08504	0.5
193.12227	0.6
201.05428	0.5
202.06189	3.2
203.07002	7.6
204.07802	7.2
205.08571	1.0
207.10327	0.4
207.13686	0.5
211.13390	0.5
212.04578	0.8
213.05406	3.1
215.07065	0.4
217.08575	20.7
217.12126	1.4
218.05759	0.6
218.09364	2.4
219.06567	0.4
219.10107	0.9
220.03731	0.5
230.05699	1.5
231.06454	3.8
231.08237	0.4
233.08061	5.5
235.05981	5.8
235.13295	2.6
245.08066	8.5
248.06871	0.9
253.14287	4.0
255.09993	0.4
262.08398	0.4
263.09113	100.0
264.09528	1.8
271.15302	1.0
277.10693	16.2
283.98911	0.4
287.05423	0.5
289.16464	0.4
295.11731	30.9
296.12177	0.5
353.77740	0.4
379.17587	0.7
397.18491	1.3
418.31024	0.5
598.24835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52242	0.8
53.03942	1.6
53.46433	0.7
55.01876	0.9
55.05490	0.9
57.03434	1.2
61.02900	1.5
65.73029	0.7
69.03416	2.7
69.36245	7.3
71.04972	2.2
71.55034	0.8
74.06075	2.6
74.09708	1.1
79.05477	3.9
80.36620	0.7
81.03403	13.1
81.07047	1.3
85.02885	10.6
91.05492	2.5
93.07013	2.3
95.04951	3.7
97.02868	4.6
97.06500	1.1
99.04430	1.1
103.05468	3.2
105.06374	0.7
105.07001	3.9
107.04940	9.3
107.08571	1.6
109.02856	1.8
109.06532	0.9
109.10172	0.8
115.05424	6.4
116.06226	1.0
117.07002	13.5
118.04169	0.9
119.08588	1.2
121.06470	2.1
123.04417	4.6
124.05193	2.1
125.05986	2.2
127.03899	3.7
128.06229	1.4
129.06989	3.1
131.04919	1.2
131.08563	3.3
133.06458	2.3
133.10092	1.0
137.05998	2.0
141.07010	1.6
142.07623	0.9
143.04970	0.9
144.05678	4.4
145.05014	2.3
145.06467	35.4
145.08594	3.1
147.04402	1.6
147.11676	2.1
151.03864	1.8
152.04636	1.3
153.05534	0.9
155.06013	3.6
155.07094	1.5
156.05661	5.9
157.06482	2.1
158.07341	0.9
159.08015	6.7
161.05940	4.4
162.24420	0.8
167.07016	54.4
168.07352	1.2
172.05156	1.1
173.05965	60.8
175.07574	2.6
177.05420	1.3
180.08687	6.3
183.06506	2.4
184.05157	2.5
186.06845	1.0
187.07571	7.4
190.06232	34.8
191.06975	2.8
193.08592	3.5
193.12218	1.0
195.06578	1.4
202.06226	3.8
203.06993	6.7
204.07605	0.9
205.08574	100.0
206.08954	1.4
207.06560	2.3
207.10027	1.2
211.13246	1.2
217.08572	46.1
217.12021	1.7
218.09251	2.0
219.08202	1.3
219.10071	5.1
223.09596	4.1
223.23831	1.0
231.10158	3.4
235.07446	1.8
235.09608	34.1
235.13300	1.9
246.06789	0.8
247.07484	1.9
247.09688	8.8
248.08282	1.3
253.14320	3.7
263.10742	1.0
264.07788	1.4
265.10690	45.6
269.08032	1.6
271.09595	1.3
276.07761	0.9
285.42245	0.8
290.09543	1.3
291.10004	1.7
293.08313	1.0
299.09357	1.2
307.09885	1.0
308.10550	1.0
315.08615	4.5
323.12735	1.7
330.11026	7.0
331.11700	2.9
336.09860	1.2
337.10440	1.0
351.12189	3.6
368.12784	1.1
371.14941	3.5
383.14801	13.2
397.18765	1.2
401.15927	28.4
419.16943	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52242	0.8
53.03942	1.6
53.46433	0.7
55.01876	0.9
55.05490	0.9
57.03434	1.2
61.02900	1.5
65.73029	0.7
69.03416	2.7
69.36245	7.3
71.04972	2.2
71.55034	0.8
74.06075	2.6
74.09708	1.1
79.05477	3.9
80.36620	0.7
81.03403	13.1
81.07047	1.3
85.02885	10.6
91.05492	2.5
93.07013	2.3
95.04951	3.7
97.02868	4.6
97.06500	1.1
99.04430	1.1
103.05468	3.2
105.06374	0.7
105.07001	3.9
107.04940	9.3
107.08571	1.6
109.02856	1.8
109.06532	0.9
109.10172	0.8
115.05424	6.4
116.06226	1.0
117.07002	13.5
118.04169	0.9
119.08588	1.2
121.06470	2.1
123.04417	4.6
124.05193	2.1
125.05986	2.2
127.03899	3.7
128.06229	1.4
129.06989	3.1
131.04919	1.2
131.08563	3.3
133.06458	2.3
133.10092	1.0
137.05998	2.0
141.07010	1.6
142.07623	0.9
143.04970	0.9
144.05678	4.4
145.05014	2.3
145.06467	35.4
145.08594	3.1
147.04402	1.6
147.11676	2.1
151.03864	1.8
152.04636	1.3
153.05534	0.9
155.06013	3.6
155.07094	1.5
156.05661	5.9
157.06482	2.1
158.07341	0.9
159.08015	6.7
161.05940	4.4
162.24420	0.8
167.07016	54.4
168.07352	1.2
172.05156	1.1
173.05965	60.8
175.07574	2.6
177.05420	1.3
180.08687	6.3
183.06506	2.4
184.05157	2.5
186.06845	1.0
187.07571	7.4
190.06232	34.8
191.06975	2.8
193.08592	3.5
193.12218	1.0
195.06578	1.4
202.06226	3.8
203.06993	6.7
204.07605	0.9
205.08574	100.0
206.08954	1.4
207.06560	2.3
207.10027	1.2
211.13246	1.2
217.08572	46.1
217.12021	1.7
218.09251	2.0
219.08202	1.3
219.10071	5.1
223.09596	4.1
223.23831	1.0
231.10158	3.4
235.07446	1.8
235.09608	34.1
235.13300	1.9
246.06789	0.8
247.07484	1.9
247.09688	8.8
248.08282	1.3
253.14320	3.7
263.10742	1.0
264.07788	1.4
265.10690	45.6
269.08032	1.6
271.09595	1.3
276.07761	0.9
285.42245	0.8
290.09543	1.3
291.10004	1.7
293.08313	1.0
299.09357	1.2
307.09885	1.0
308.10550	1.0
315.08615	4.5
323.12735	1.7
330.11026	7.0
331.11700	2.9
336.09860	1.2
337.10440	1.0
351.12189	3.6
368.12784	1.1
371.14941	3.5
383.14801	13.2
397.18765	1.2
401.15927	28.4
419.16943	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.7
53.10909	2.0
55.01856	7.2
55.05504	33.7
57.03417	9.6
57.07066	29.8
59.04976	3.4
59.52260	2.1
63.64125	1.9
65.03918	5.2
66.08442	2.2
66.91839	2.0
67.05164	3.0
67.05502	40.0
68.60668	1.9
69.03418	21.0
69.07058	87.4
70.06571	7.4
71.04964	9.2
71.08627	13.8
73.02899	9.9
78.87000	2.1
79.05486	15.1
81.03407	18.5
81.07046	97.1
83.04958	8.0
83.08134	3.3
83.08611	57.4
85.02896	33.8
85.06519	9.1
85.10149	8.3
86.98655	2.0
91.05474	19.4
93.07029	20.3
95.04941	12.8
95.08596	100.0
97.02872	23.7
97.06500	9.8
97.10159	54.5
99.04426	6.1
99.08060	7.7
103.05457	6.9
105.07003	16.1
107.04928	16.2
107.08591	17.8
109.02869	14.0
109.06494	9.2
109.10145	77.3
111.04401	6.6
111.08051	5.5
111.11708	54.1
113.09621	3.2
115.03871	4.4
115.05433	4.5
117.06996	6.6
119.04904	4.9
119.08572	13.0
119.44344	2.2
121.06459	8.9
121.10120	17.4
121.28533	2.0
123.04396	7.7
123.08033	5.7
123.11694	55.4
125.05943	4.4
125.09608	9.0
125.13258	26.7
127.03880	17.7
129.06926	4.9
131.04890	8.2
131.08545	8.8
133.02905	2.6
133.04927	5.5
133.06450	7.3
133.10106	11.9
135.04405	5.7
135.08032	7.7
135.11661	9.4
137.05975	31.1
137.09590	8.9
137.13234	31.5
139.11182	2.8
139.14767	11.7
143.04965	2.8
143.08479	4.6
145.04941	5.7
145.06450	3.4
145.10135	10.4
147.04378	6.5
147.08017	5.5
147.11673	10.6
149.05916	6.0
149.09578	7.0
149.13206	5.3
151.03874	5.2
151.07536	5.5
151.14786	13.6
153.01813	7.3
153.05402	3.3
153.09140	3.2
153.16365	6.0
155.08533	2.9
157.10112	5.9
159.11673	9.7
161.05952	5.9
161.09604	7.0
161.13251	5.1
163.03870	13.9
163.06024	3.3
163.07503	7.6
163.11118	7.5
163.14799	2.6
165.05463	2.5
165.12711	3.8
165.16451	10.4
167.07024	52.6
167.08406	4.7
167.10629	4.0
167.17990	3.9
168.07359	3.1
169.10136	2.9
171.11668	4.3
173.05931	3.6
173.13231	4.0
175.07591	4.3
175.11057	3.6
177.05469	6.4
177.09122	2.8
177.16360	2.8
179.03297	3.3
179.07022	5.0
179.10680	6.4
179.17963	12.1
181.04964	31.2
181.08595	3.4
181.12386	2.3
183.11658	3.0
185.18959	11.1
187.07526	4.7
187.11101	3.1
187.14827	2.6
189.12674	4.6
191.07021	18.6
191.10641	2.6
191.14320	3.4
193.08571	4.3
193.12239	6.5
193.19473	12.4
195.06512	4.7
197.11670	4.0
201.16345	3.8
203.06908	2.6
203.10365	2.5
207.13751	5.0
209.08055	5.0
211.09514	2.6
211.13297	7.0
217.08559	4.7
219.10109	2.6
223.13185	2.7
227.12634	3.8
229.14247	2.6
233.08023	5.3
249.25774	32.8
251.06680	2.7
255.42235	2.1
259.07941	2.5
267.26797	69.8
285.27859	86.4
339.12384	5.3
371.14743	6.5
386.70163	2.3
387.14151	9.4
399.14520	2.8
399.32150	2.7
417.15146	7.6
429.32288	3.6
435.31024	3.0
523.50220	2.4
597.21375	3.9
597.31390	6.2
598.35480	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	597.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.1
55.01858	4.6
55.05512	13.2
57.03418	4.2
57.07064	7.4
57.13639	1.9
59.05001	9.8
64.42250	2.0
67.05157	3.7
67.05494	41.3
69.03429	18.0
69.07054	28.0
69.52834	17.1
71.04981	6.4
71.08625	5.2
73.02907	2.3
79.05479	20.4
81.02972	3.1
81.03407	33.2
81.07046	91.9
82.03676	2.3
82.99841	1.9
83.04967	7.7
83.08608	16.8
85.02892	17.9
85.06523	11.8
85.10161	2.3
91.05472	30.9
93.07029	25.3
95.04961	13.2
95.08594	41.4
96.29284	1.9
97.02879	15.0
97.06515	7.1
97.10146	10.1
98.21413	4.3
99.04431	7.2
99.08088	4.5
101.05999	6.2
103.05476	1.9
105.07014	49.7
106.39116	1.9
107.04942	9.2
107.08585	54.0
109.02877	20.2
109.06520	21.0
109.10137	32.2
110.75076	1.9
111.04435	4.2
111.08066	4.5
111.11716	5.4
115.03898	2.5
115.05462	2.7
117.06975	5.4
119.04947	3.4
119.08565	43.6
119.09347	3.6
121.06493	6.5
121.10130	33.8
122.07275	2.3
123.04410	3.9
123.08070	25.5
123.11691	48.3
125.09635	4.3
127.03911	25.6
127.07568	4.1
129.06979	4.4
131.08571	5.8
133.06445	5.0
133.10114	12.3
135.08052	10.7
135.11684	20.0
137.05965	21.5
137.09596	100.0
137.13216	11.7
143.08540	3.0
145.04913	3.9
145.06561	2.6
145.10101	9.0
145.61185	2.0
147.04387	4.1
147.08034	4.2
147.11670	90.7
148.12006	2.8
149.05951	3.0
149.09607	7.8
149.13196	2.6
151.03871	3.1
151.07526	6.1
151.11226	3.4
151.14754	2.5
153.01825	3.4
153.09077	6.0
155.08508	3.5
157.10040	4.5
159.08141	2.8
159.11671	5.5
161.05933	3.7
161.09653	4.4
161.13264	14.8
163.03868	3.8
163.07504	2.9
163.11150	3.0
165.09081	2.5
165.12741	53.1
165.16341	4.0
167.07025	22.3
171.11632	4.8
173.09639	2.2
173.13245	3.7
175.11159	7.5
176.87833	2.1
177.16402	2.7
181.04893	11.2
183.13805	21.1
187.14876	2.4
189.12735	12.2
191.06982	3.7
191.10634	2.9
191.14311	2.5
193.10706	2.4
193.12192	15.1
193.19479	2.1
195.06456	1.9
197.07956	1.9
197.13388	2.2
199.14830	3.1
203.06993	2.2
207.13753	14.7
211.13217	12.7
225.14804	5.0
229.14316	89.4
233.08116	2.9
249.25764	8.2
267.26794	39.3
273.14587	2.7
285.27887	5.4
303.28867	2.8
309.16879	3.4
319.15390	7.3
337.16370	51.0
355.17462	46.6
373.18512	10.2
387.14285	12.5
388.81638	2.0
389.15747	2.1
399.32770	2.2
418.15897	2.1
435.27380	2.6
597.32184	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	597.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47505	1.1
53.03935	2.9
55.01857	4.6
55.05504	6.0
55.11334	1.0
57.03421	3.9
65.13284	1.0
67.05496	8.8
69.03416	12.7
69.07062	11.4
71.04990	8.3
71.62574	2.5
73.02915	1.3
77.03908	1.4
79.05489	14.7
81.03409	18.8
81.07047	25.8
83.04969	14.8
83.08609	3.2
85.02899	15.1
85.06544	4.8
91.05477	10.1
93.07034	34.8
95.04964	11.5
95.08598	16.3
97.02887	6.6
97.06520	21.2
99.04444	11.3
101.06007	1.8
103.05442	1.5
105.07017	26.0
107.04955	5.9
107.08584	22.2
109.02864	25.2
109.06509	16.0
109.10143	6.4
111.04409	3.4
111.08076	11.1
113.06001	3.9
115.05442	1.5
117.06982	1.8
119.04914	1.3
119.08572	17.1
121.02803	1.5
121.06490	43.1
121.10115	6.4
123.04407	3.1
123.08046	5.5
123.11703	4.6
125.06001	13.0
125.09628	1.6
127.03900	30.5
127.07515	7.7
128.06218	1.7
129.05475	2.0
129.06987	3.3
131.04927	1.3
131.08568	4.7
133.06456	4.7
133.10109	11.3
135.04424	3.0
135.08028	12.3
135.11716	1.2
137.05948	6.4
137.09624	1.9
139.07513	14.6
141.05475	1.7
141.06859	1.2
142.07745	1.7
143.07004	9.3
143.08533	6.1
145.04950	2.9
145.06473	1.4
145.10075	6.6
147.04405	1.8
147.08000	3.7
147.11664	37.8
149.05997	2.0
149.09534	2.1
149.13237	4.8
150.68236	1.2
151.07545	3.5
151.11201	4.7
153.01799	3.8
153.09068	3.4
155.07027	1.2
155.08398	1.2
156.09286	2.1
157.08597	7.3
157.10110	14.5
159.06615	1.2
159.08026	2.9
161.05965	4.1
161.09607	2.6
161.13226	6.6
163.07510	2.1
163.11180	1.3
163.14778	1.5
165.09097	1.6
165.12740	18.9
166.07777	1.6
167.07011	4.7
169.12234	8.3
171.11661	12.3
173.09612	3.9
175.11162	28.9
177.05458	2.0
181.04919	3.2
181.10023	2.6
183.06468	1.8
183.08165	1.2
187.06046	8.1
187.07535	1.9
187.11089	1.3
189.09140	1.3
189.12733	20.1
191.07034	1.3
191.10609	1.3
191.14278	2.9
193.12221	31.1
199.11151	19.8
205.07040	5.1
205.08694	1.1
207.13799	12.9
209.07886	1.5
209.15379	3.3
211.13268	17.6
213.12756	1.2
217.12206	61.5
219.10237	1.6
227.09015	1.3
227.12645	1.1
229.14272	7.2
233.08087	1.3
233.11737	1.9
235.13266	75.8
236.13799	1.2
237.11201	1.7
251.12762	2.0
253.14322	100.0
268.80301	1.4
271.15344	16.1
287.05502	2.0
288.05826	1.6
289.05878	1.8
289.16437	3.1
295.15189	1.4
303.04904	13.5
307.13260	1.3
313.16422	2.9
315.15729	2.3
319.15399	2.1
325.14243	3.0
339.09827	2.5
343.15335	2.8
361.16409	8.0
379.17542	11.6
397.18533	18.6
415.19519	6.3
417.15445	1.4
418.15997	1.2
433.20645	1.3
547.15704	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01859	3.6
55.05499	6.7
59.01974	1.1
67.05486	7.5
69.03423	10.7
69.07053	10.1
69.65265	5.1
69.65680	2.5
70.06561	1.4
71.04969	4.6
73.02919	1.3
73.92171	1.0
79.05471	12.0
81.03412	16.5
81.07043	26.6
81.65369	1.1
83.04969	15.7
83.08610	6.0
85.02888	8.7
85.06511	3.0
91.05465	9.3
93.07024	35.8
95.04952	8.8
95.08598	15.9
97.02866	8.5
97.06520	21.9
98.21521	1.3
99.04427	14.2
100.07603	1.8
100.11244	7.2
101.05984	1.9
105.07017	22.4
107.04941	3.6
107.08576	25.1
109.02869	23.4
109.06497	18.8
109.10128	4.8
111.04424	4.5
111.08065	12.5
111.93330	1.1
112.07571	1.3
113.05984	3.4
115.07560	1.8
117.06995	3.3
119.08567	15.1
121.06484	40.7
121.10113	6.7
123.04413	3.1
123.08036	4.3
123.11700	4.3
125.05965	10.7
127.03898	29.0
127.07526	8.9
128.07047	2.0
129.05446	2.3
129.06975	2.7
131.08511	3.7
133.06467	3.1
133.10109	14.8
135.04401	3.1
135.08022	12.8
135.11662	1.3
137.05956	5.5
137.09618	1.4
137.13278	1.6
139.07518	14.6
140.03221	1.1
141.05402	2.1
142.07755	2.6
143.07001	11.7
143.08543	5.0
145.04933	2.4
145.10089	6.6
147.08061	2.6
147.10472	2.2
147.11661	44.6
149.13231	3.6
151.07541	2.3
151.11200	2.4
153.01775	1.9
153.09099	3.7
156.09325	1.7
157.06474	1.6
157.08600	8.8
157.10110	14.0
159.06430	1.6
159.07986	1.7
161.05972	3.0
161.09576	2.1
161.13312	6.4
163.11139	1.5
165.12732	16.0
166.07689	1.4
167.07011	3.4
169.08630	1.2
169.12224	8.2
171.07997	1.3
171.11653	14.2
173.09604	3.3
173.13235	1.9
175.11165	25.3
179.14311	1.2
181.04951	2.1
181.10143	2.9
182.15393	7.6
183.13866	1.3
187.06033	9.9
187.11038	1.7
189.09027	1.3
189.12689	16.2
190.36073	1.2
191.10695	2.0
191.14317	1.9
193.08502	1.9
193.12209	22.1
199.11136	19.0
205.06969	4.8
207.13756	13.5
209.15092	2.0
210.14859	12.8
211.13246	22.2
217.08960	1.6
217.12204	59.9
229.14334	7.9
235.13249	86.2
240.48413	1.2
244.20102	1.3
251.12724	1.4
253.14308	100.0
257.13675	2.1
269.13800	1.5
271.15350	16.8
289.16495	4.3
295.15402	2.7
301.14282	1.1
303.04742	2.5
313.16464	5.6
319.15332	1.7
325.14362	1.9
333.16626	1.7
337.16281	1.4
343.15344	3.6
354.23691	1.6
361.16376	9.0
379.17432	16.6
397.18436	21.9
415.19507	8.2
433.20587	2.2
453.34311	1.5
470.36249	1.2
562.40027	1.4
579.41522	1.7
580.40759	5.1
597.43311	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	597.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
53.39511	0.8
55.01860	2.9
55.05498	5.2
57.03434	2.2
60.41905	0.9
60.51234	0.8
61.02887	1.2
67.05487	5.7
69.03423	11.9
69.07063	9.2
69.38344	4.5
69.38773	4.3
71.04983	4.9
73.02895	1.3
74.99513	0.9
77.03903	0.9
79.05482	12.0
81.03407	14.1
81.07047	25.3
83.04963	11.3
83.08598	2.5
85.02883	7.2
85.06532	3.7
85.07641	3.9
91.05462	9.1
92.69369	0.8
93.07028	33.0
95.04953	10.1
95.08590	13.3
97.02888	6.6
97.06507	21.3
98.20801	2.2
99.04443	12.7
101.05998	1.5
102.74132	0.8
103.05471	1.4
104.91579	0.7
105.07013	21.1
105.07669	1.6
107.04945	4.1
107.08569	20.8
109.02117	1.3
109.02856	25.8
109.03574	1.4
109.06496	18.1
109.10149	3.2
111.04427	3.2
111.08068	11.6
113.05983	2.3
115.07562	1.5
117.07038	3.3
119.04920	2.1
119.08560	13.9
121.06483	40.5
121.10106	5.9
123.04435	2.9
123.08056	5.8
123.11684	4.9
125.05975	11.6
127.03898	23.2
127.04793	2.0
127.07522	7.6
129.06972	3.1
131.08571	5.8
133.06494	3.1
133.10139	10.5
135.04425	2.4
135.08028	11.3
137.05968	4.3
137.09555	1.7
139.07503	12.0
141.05450	2.3
142.07755	2.6
143.07033	9.4
143.08513	4.6
145.04883	1.6
145.06476	1.7
145.10107	4.5
147.04286	1.3
147.08052	4.1
147.11664	36.2
149.09621	1.2
149.13254	3.3
151.11163	2.4
153.01811	1.1
153.09135	2.5
155.07060	1.4
155.08511	1.7
156.09314	1.8
157.06496	1.2
157.08603	7.1
157.10123	12.0
157.11302	1.5
158.07176	1.0
159.08031	2.1
161.05949	2.4
161.09589	1.9
161.13199	4.7
163.11177	1.9
165.12743	17.1
166.07762	1.2
167.06975	1.7
169.12241	7.6
171.11630	13.0
173.09631	3.3
173.13242	1.6
175.07574	1.5
175.11153	21.6
181.04947	1.3
181.10077	2.0
183.13744	1.2
184.08810	1.2
187.06010	8.6
187.07526	1.6
187.11099	1.4
189.09081	1.5
189.12715	17.1
191.10684	1.5
191.14307	1.2
193.08636	1.6
193.12206	23.5
199.11163	15.8
201.09164	1.2
205.06998	5.5
205.08679	1.0
207.13783	14.0
209.15369	2.0
211.13251	19.6
215.10698	1.1
217.08838	2.3
217.12198	55.5
219.10358	1.2
225.14810	1.7
229.14342	7.8
233.07985	1.4
235.13248	77.0
236.13631	1.2
237.11150	1.6
251.12634	1.0
253.14311	100.0
263.09155	6.9
271.15329	16.5
288.05969	1.0
289.16473	4.1
295.11755	3.7
295.15240	2.0
301.14429	1.1
303.04913	5.2
313.16385	2.9
319.15417	2.0
325.14166	1.5
337.16476	1.1
343.15283	4.7
361.16446	6.6
379.17438	15.9
397.18427	20.7
415.19635	7.3
433.20923	2.2
453.34525	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1803
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01863	5.7
57.03416	7.5
65.03943	3.0
67.05486	3.9
68.90074	2.2
68.99772	3.9
69.03436	5.9
70.06574	3.8
71.04966	2.8
71.14487	2.6
71.37457	5.9
73.02879	3.1
74.06068	2.5
79.05482	2.8
81.03391	7.8
83.01319	3.8
83.04960	2.7
85.02098	2.4
85.02898	27.8
91.05463	8.1
93.03391	12.3
95.04959	7.8
97.02907	13.9
97.06485	3.1
103.03876	3.1
103.05470	4.7
105.03413	2.3
107.04926	19.5
109.02886	15.9
109.06590	4.0
111.04420	6.7
117.07045	2.4
119.04917	10.1
121.02857	28.2
121.06486	7.8
123.04408	14.4
127.03918	5.1
129.06927	3.3
131.04887	3.6
133.06432	7.4
135.04420	17.5
137.05971	5.9
139.03911	7.5
141.05452	2.4
145.06476	4.4
147.04376	23.1
149.02284	5.0
149.05969	7.4
151.03888	7.3
153.01741	12.6
157.06512	3.6
159.04425	9.3
161.02335	4.7
161.05960	12.0
163.03873	9.2
165.01801	9.2
173.02324	3.5
173.05992	9.9
175.00253	3.3
175.03804	5.8
175.07460	2.6
177.01842	19.3
177.05418	12.4
183.02885	6.9
185.05998	2.8
187.03816	12.5
187.07556	2.8
189.01796	26.8
189.05447	6.4
191.03384	18.8
193.01382	3.7
195.02843	41.8
197.05954	3.9
199.03915	3.3
201.01848	4.2
201.05365	12.8
203.03365	14.8
205.01294	7.2
205.04973	8.2
207.02852	44.6
209.04373	5.6
213.05531	5.4
215.03415	12.6
217.01285	3.0
217.04924	7.4
219.02861	93.2
221.00854	5.6
221.04451	5.9
223.02322	9.7
225.03816	28.6
227.03375	6.9
229.01450	3.4
229.04909	16.9
231.02855	50.8
233.04424	24.6
235.02232	3.1
237.03908	32.9
241.04942	3.2
243.02840	28.8
243.06599	7.0
245.04404	9.2
247.06042	3.5
249.03889	25.4
255.02890	11.4
257.04440	18.1
259.02362	3.2
261.03909	100.0
267.02844	3.7
269.04446	8.7
271.06015	10.9
273.03903	39.5
275.05438	6.9
279.04895	3.4
281.04453	5.3
282.04688	3.3
283.06070	3.5
285.03937	53.7
285.06992	3.1
287.05426	4.7
291.04852	29.5
297.03918	18.9
297.07498	11.4
299.05606	13.9
303.01480	4.6
303.04855	31.3
308.96094	2.6
309.03616	4.7
309.07294	4.7
315.04910	6.8
321.05957	21.2
327.04916	38.8
327.08563	19.5
339.08304	42.2
345.06052	9.6
351.08450	18.4
357.05933	8.5
357.09753	5.4
363.07111	24.9
369.06000	8.5
375.07452	4.2
381.09714	39.1
387.07281	9.6
393.09464	27.7
399.10999	3.8
401.90179	3.2
405.08374	35.9
409.09500	3.2
411.10553	14.6
417.09937	5.4
423.09799	25.1
429.11719	41.0
441.11069	44.0
447.10651	28.9
459.12881	39.9
465.11819	9.3
477.12097	7.4
483.12943	18.9
495.12845	19.4
507.12973	11.8
525.13654	13.2
543.15082	17.7
597.22906	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	596.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
54.50355	1.6
55.01854	6.9
55.05502	22.2
57.03217	1.4
57.03433	15.2
57.07055	5.0
60.17365	1.5
65.03928	2.7
67.05495	81.6
69.07061	34.6
69.20137	1.6
69.60099	13.6
71.04974	6.1
76.34068	1.6
77.72179	1.3
77.79937	1.5
78.89529	1.5
79.05479	50.7
81.03391	4.8
81.07045	100.0
83.04974	11.3
83.08613	19.8
85.06539	5.4
91.05470	42.4
93.07029	70.6
93.07619	3.6
95.04950	12.4
95.08587	32.4
97.06512	22.6
97.10161	5.9
99.08075	5.4
105.07022	28.8
105.84989	1.7
107.04935	6.0
107.08578	40.9
109.06538	5.2
109.10125	9.0
111.08059	8.2
113.09599	2.3
117.07005	16.3
119.08571	17.5
121.06493	4.2
121.10132	23.2
123.08048	2.4
123.11722	3.8
125.09605	3.2
131.08554	21.6
133.10109	19.8
135.08040	4.5
135.11685	16.4
137.09579	2.7
145.10083	9.8
147.11629	10.1
149.09637	8.6
149.13239	30.1
151.11172	3.1
155.08548	2.5
157.10060	3.0
159.11670	18.1
161.13237	3.2
163.11134	7.0
169.10095	1.9
171.11705	3.7
173.13257	4.8
175.10988	1.8
177.12732	7.5
179.14349	2.4
181.12105	1.7
195.13789	16.2
199.14799	2.1
201.16344	1.9
213.14677	2.2
215.17857	1.7
227.12747	5.4
228.12344	1.7
239.17882	2.9
255.15869	6.5
257.18933	5.7
264.14276	1.9
269.17444	70.0
275.20044	30.5
293.20950	1.9
305.38885	1.8
309.09113	1.6
330.42773	1.6
331.22577	2.2
335.25842	2.5
337.06696	1.7
349.23709	17.9
365.23489	2.2
367.24976	2.2
449.28970	23.2
463.30484	85.0
477.40607	1.8
543.36847	23.2
544.37341	2.1
561.37952	5.9
597.26837	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	596.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17849	2.0
53.03926	5.3
55.01857	6.6
55.05504	28.1
57.03428	14.4
57.07051	3.9
59.05001	2.7
59.81538	2.0
63.86529	1.9
65.03928	4.3
67.05495	79.7
69.03388	3.0
69.06713	2.7
69.07059	28.8
69.63364	9.2
69.63796	6.7
71.01327	3.1
71.04960	5.9
71.08604	7.3
78.57738	2.0
79.05476	58.5
81.03403	11.0
81.07041	100.0
83.04976	13.8
83.08600	24.0
85.02892	4.4
85.06528	6.1
91.05466	49.8
93.07027	77.9
95.04929	10.6
95.08583	42.7
97.06512	16.7
97.10165	5.7
99.04394	2.5
99.08084	7.6
105.07019	37.4
107.04935	5.8
107.08574	47.6
109.06503	8.1
109.10139	14.0
111.08058	7.9
117.06979	14.1
119.08557	29.4
121.10120	31.1
123.08060	3.8
123.11684	6.1
125.09657	2.8
127.51778	2.1
129.07005	4.7
131.08543	21.5
133.10103	29.7
134.10458	2.5
135.08022	4.0
135.11655	18.5
137.09555	2.8
143.08537	4.1
145.10092	10.5
147.11653	15.2
149.09601	9.5
149.13237	25.0
151.11180	4.6
157.10081	4.9
159.11703	16.9
161.13202	7.2
163.11154	6.9
165.12686	3.0
169.10022	3.2
171.11594	4.5
173.13315	4.9
175.11200	3.3
177.12743	8.4
179.14259	20.0
185.13222	4.2
193.12212	3.8
195.13765	13.5
211.13318	5.8
213.14757	2.9
227.12660	2.8
241.19572	2.4
251.16371	3.2
255.15874	8.7
257.18933	4.9
259.20517	4.4
267.15915	7.4
269.17444	70.6
275.20093	18.7
277.21561	18.1
285.16949	13.9
293.21283	2.8
333.24213	3.7
349.23676	17.8
351.25269	11.6
367.24496	2.8
449.28864	22.4
455.99942	2.4
459.66599	2.1
463.30481	84.5
464.30679	3.6
485.19373	2.4
490.81793	2.3
543.36737	27.1
561.37726	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	596.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.7
53.81337	5.3
55.05504	34.6
56.20601	5.3
57.03421	19.7
67.05494	72.6
69.03427	5.6
69.07057	30.8
71.63049	8.2
79.05477	84.7
79.58987	6.1
81.03405	59.7
81.07048	94.2
83.04964	26.7
83.08593	37.2
85.02889	19.1
85.06534	10.1
88.07638	6.6
91.05469	100.0
93.07030	87.7
95.04950	40.5
95.08597	50.6
96.65847	6.1
97.06516	11.4
97.10152	13.9
100.31204	5.9
105.07022	89.8
107.04956	11.0
107.08588	42.9
109.06487	12.4
109.10139	26.7
111.08052	9.2
112.97892	6.6
117.06979	19.9
118.07260	5.8
119.08578	69.2
121.06489	8.9
121.10133	37.7
123.11668	6.1
129.06978	20.9
131.04933	11.5
131.08536	42.9
133.10115	68.5
135.08047	9.3
135.11673	24.0
142.07762	7.3
143.08582	8.2
145.10126	27.6
147.11661	54.6
149.09558	8.2
149.13251	10.3
157.10086	27.7
159.11647	18.9
161.13242	27.7
163.11201	7.5
167.08232	5.6
169.10097	7.8
171.11633	13.1
173.13242	10.3
174.21947	5.5
175.07567	10.5
175.11180	25.0
175.14767	13.0
185.13152	11.2
193.12250	54.0
199.14873	9.5
211.13274	59.1
241.19456	25.0
256.26450	9.0
259.20541	77.3
261.21622	7.4
267.15872	18.7
269.17444	8.5
275.20163	8.0
283.15469	6.0
285.16858	65.2
315.23038	8.2
333.24261	64.0
365.22803	6.1
367.11566	9.8
425.41006	5.7
433.30609	7.1
474.72690	6.9
525.35315	16.8
543.36694	49.9
561.37488	11.1
578.36993	7.3
596.35663	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	595.144
Annotation	CHEBI:75670
Peak:m/z	Relative Intensity
53.28217	0.6
55.01873	1.9
59.71204	0.7
65.03924	1.4
65.24480	0.6
66.04137	0.7
66.56475	0.5
67.05486	0.6
68.99778	7.9
71.28055	1.3
79.76962	0.6
81.03419	3.2
89.94157	0.6
91.05491	1.2
95.04946	1.9
99.04408	1.2
105.03387	1.8
107.04956	1.5
109.02898	4.0
111.00776	6.3
111.04424	2.1
115.05414	1.0
119.04940	2.5
121.02845	2.4
123.04411	40.0
127.03897	100.0
128.04225	1.7
131.04866	1.1
133.02783	1.6
135.04369	7.9
137.02330	1.8
137.05928	0.8
139.03880	96.4
140.04213	1.7
143.04944	0.8
145.06442	1.1
147.04382	11.4
149.02310	4.7
149.05937	0.8
151.03880	28.3
153.01765	1.8
155.03349	1.5
157.06435	0.9
159.04404	2.0
161.05968	2.5
163.03880	13.2
163.99826	0.6
165.05475	7.2
167.03397	7.5
169.05043	0.8
169.06421	1.2
171.04398	1.7
173.05981	1.9
175.03877	11.8
177.05457	7.0
179.03371	33.9
181.04915	2.9
183.04436	0.8
185.05965	3.3
187.03867	2.5
188.07088	1.1
189.05461	5.8
191.03352	16.4
193.04935	6.3
197.05893	1.2
199.03893	2.2
201.05434	6.5
203.03360	22.1
205.04935	2.4
207.06407	0.7
213.05437	5.5
215.03363	2.3
215.06822	0.9
217.04964	5.6
219.06357	1.2
221.04367	0.9
225.05373	0.8
229.04958	7.5
230.05713	0.7
231.06503	3.5
233.04425	8.4
241.04909	3.5
243.06494	1.7
245.02135	1.1
245.04449	15.6
247.06015	8.2
251.05472	2.9
253.04883	1.4
257.04431	19.6
258.04962	0.9
259.05920	4.1
263.05469	12.1
269.04373	5.8
271.05927	6.1
273.07614	0.8
275.05450	28.8
283.05862	1.7
287.05460	50.4
288.05670	1.1
289.06906	2.9
291.08585	13.1
291.76749	0.6
299.05469	18.1
301.06870	2.9
303.08557	2.3
305.06537	10.8
307.08157	1.2
311.05130	0.8
317.06494	19.5
391.07956	0.7
392.99890	0.7
407.07428	0.8
409.09137	12.9
425.03128	1.2
425.08594	18.6
426.08655	0.6
427.10159	6.2
437.09155	1.0
439.10583	0.7
443.04211	0.8
443.09647	10.3
451.10004	2.9
455.09119	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02129	0.3
51.02368	0.4
51.04275	0.3
53.00312	0.4
55.01867	1.5
56.96564	0.3
65.03923	0.8
67.01846	0.4
67.05502	0.5
68.99774	5.7
70.06278	1.7
75.83926	0.3
77.03919	0.5
79.05524	0.5
81.03410	2.5
85.02895	0.4
91.05467	0.4
93.03384	0.4
95.04958	1.0
97.02893	0.4
98.21446	0.4
99.04441	1.1
104.18923	0.4
105.03373	1.1
107.04946	0.5
109.02849	4.0
111.00780	5.2
111.04440	1.3
119.04953	1.9
121.02867	1.2
123.04411	26.0
127.03896	100.0
128.04245	0.9
129.06969	0.3
131.04866	0.7
133.02870	1.7
135.04375	1.8
137.02286	0.4
137.05956	0.7
139.03879	54.1
140.04190	0.5
143.04916	0.6
147.04382	9.5
148.53194	0.3
149.02319	2.2
149.05914	0.4
151.03879	22.3
153.01797	0.9
153.05478	0.6
155.03346	1.4
155.04688	0.4
157.02811	0.5
157.06453	1.0
159.04376	1.2
161.02322	0.4
161.05954	2.3
163.03902	4.0
165.05453	6.1
167.03400	4.3
167.04773	0.6
169.04977	0.5
169.06448	0.4
171.04350	1.2
173.05945	0.9
175.03877	14.7
177.01990	0.3
177.05447	4.9
179.03371	32.3
179.58025	0.3
180.03740	0.7
180.08803	0.4
181.04968	1.0
183.04352	0.6
185.05875	1.8
187.03854	0.9
189.05453	3.1
191.01643	0.6
191.03371	9.5
193.04935	4.2
197.05948	0.7
199.03827	2.0
201.05431	4.3
203.03366	20.6
205.04955	1.4
207.06519	1.1
211.03966	0.6
213.05412	4.6
215.03368	1.1
217.04942	4.0
219.06502	1.2
220.58195	0.3
221.04337	0.6
225.05383	0.4
227.03256	0.8
229.04926	3.0
231.02876	0.4
231.06506	2.8
233.04399	4.4
241.04932	3.4
243.06505	0.4
245.02109	0.7
245.04443	8.3
247.05980	0.7
251.05444	1.4
253.04901	0.4
257.04425	9.8
258.05164	0.8
259.05975	3.9
263.05444	7.3
269.04431	4.7
271.05948	1.9
273.07465	0.6
275.05447	16.9
277.07062	0.4
281.04538	0.6
287.05460	49.7
288.05783	1.1
289.07132	0.5
291.08578	14.3
299.05457	12.5
300.05695	0.6
301.07062	0.4
303.01300	1.4
303.08539	1.3
305.06470	12.3
310.81891	0.4
311.05524	1.1
313.06897	0.4
317.06503	11.0
318.06946	0.5
329.06659	0.4
391.07999	0.6
407.07608	0.5
409.09137	6.1
425.08618	15.8
425.14383	0.8
426.08920	0.4
427.10107	4.1
433.09192	0.4
443.09671	5.8
451.10132	1.3
455.09897	0.4
554.03516	0.4
554.53027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1441
Annotation	Kaempferol-3-Glucoside-2''-p-coumaroyl
Peak:m/z	Relative Intensity
51.02380	0.2
53.03942	0.2
55.01865	0.5
55.05501	0.3
57.03419	0.4
61.02908	0.3
65.03920	1.2
65.15397	0.2
67.05491	0.5
69.03425	5.8
69.03802	0.3
69.07061	0.5
69.74303	0.4
69.74716	0.8
71.04987	0.4
78.59209	0.2
79.05484	0.5
79.60246	0.2
81.03423	1.7
81.07040	1.0
85.02906	2.6
85.06566	0.2
91.05473	10.8
91.83606	0.2
93.03389	0.3
93.07032	0.7
95.04960	0.7
95.08605	0.9
97.02893	2.2
97.06519	0.5
97.10167	0.2
98.20772	0.3
99.04453	0.5
103.05463	0.5
105.03364	0.3
105.07024	0.9
106.04162	0.6
107.04259	0.4
107.04937	3.5
107.08573	0.5
109.02874	1.0
109.06454	0.2
109.10159	0.6
111.00782	0.3
117.06984	0.2
119.04933	24.5
119.08559	0.4
120.05286	0.3
121.02876	0.9
121.06490	1.0
121.10123	0.5
123.04394	0.5
123.08078	0.3
123.11726	0.3
125.05974	0.4
125.09605	0.2
127.03912	3.4
129.07013	0.2
131.04942	0.5
133.02866	0.4
133.06482	0.5
133.10191	0.3
135.04446	0.3
137.02332	0.5
137.05934	0.7
145.04951	0.7
145.06450	0.2
145.10138	0.3
147.04393	100.0
148.04713	1.4
149.05981	1.4
151.03917	0.3
151.07486	0.3
153.01808	4.4
153.09096	0.2
157.06468	0.6
157.10193	0.2
159.04497	0.2
160.66650	0.2
161.05969	0.6
163.03905	0.3
163.11162	0.4
165.01816	0.6
165.05511	1.1
165.06773	0.3
167.07072	1.2
173.05981	0.3
177.05443	1.2
179.03358	0.4
179.07014	0.6
181.04951	1.0
181.08559	0.5
183.02913	0.3
185.05946	0.3
187.03896	0.2
187.07576	0.2
191.06987	0.3
193.04903	0.2
203.06963	0.4
205.08582	0.2
207.06407	0.2
209.04405	0.2
209.08055	2.9
211.13106	0.2
213.05437	0.5
223.07607	0.4
225.09143	0.2
229.05014	0.3
231.06500	0.6
241.05043	0.2
243.06548	0.3
253.08417	0.2
255.06602	0.3
257.04517	0.2
258.05225	0.6
269.04370	0.2
271.06000	0.3
279.06421	0.3
281.04483	0.4
285.04028	0.4
287.05472	34.7
288.05743	0.5
291.08597	2.9
293.07751	0.2
299.05566	1.0
299.08441	0.2
305.84479	0.2
309.09665	2.6
311.05533	0.8
311.08905	0.3
324.31845	0.2
326.04315	0.3
327.04926	6.8
327.08673	0.4
329.06546	0.3
369.12888	0.2
387.10532	0.2
405.09653	9.2
406.09674	0.3
415.10278	0.4
416.14474	0.4
433.03543	0.3
433.09149	4.2
451.10126	0.5
471.09296	1.1
595.13507	0.4
595.21558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43440	0.1
52.17663	0.1
52.42511	0.1
53.03929	0.2
56.14956	0.1
57.03407	0.1
59.90591	0.1
63.81756	0.1
65.03914	1.0
65.04224	0.1
67.05477	0.1
68.99759	0.1
69.03413	1.2
69.54191	0.1
69.65242	0.5
69.65649	0.2
70.76483	0.1
71.04979	0.2
79.05467	0.2
81.03406	3.2
81.07038	0.1
85.02896	0.9
91.05466	8.9
93.07050	0.1
95.08585	0.1
97.02872	0.4
98.14329	0.1
99.04424	0.4
105.07013	0.1
107.04927	0.3
109.02859	1.3
111.00764	0.2
111.87250	0.1
119.04922	21.6
120.05195	0.2
121.02816	0.5
121.06493	0.1
127.03873	0.5
133.02850	0.2
134.45523	0.1
135.04373	0.1
137.02377	0.1
137.05960	0.1
145.06450	0.2
147.04384	100.0
148.04683	1.3
153.01799	0.8
157.06516	0.1
161.06026	0.1
165.01834	0.4
165.05453	3.7
167.07002	0.5
175.07561	0.1
181.04927	1.6
183.02890	0.2
185.06050	0.1
191.06873	0.1
213.05444	0.2
231.06497	0.2
235.09708	0.1
241.04996	0.2
258.05188	0.2
287.05457	20.7
288.05759	0.5
291.08578	5.1
309.09647	2.5
329.06512	0.1
329.38828	0.1
331.28366	0.1
385.12637	0.3
398.13501	0.2
411.35706	0.1
415.14047	0.1
416.14563	1.8
422.03772	0.1
548.81964	0.1
595.21191	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	595.1439
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
51.02369	0.1
53.60989	0.1
55.01863	0.1
57.03427	0.2
59.19468	0.1
61.02904	0.1
65.03925	1.4
68.99800	0.2
69.03422	1.3
70.90513	0.1
71.16798	0.2
71.17129	0.1
73.02884	0.1
74.80695	0.1
79.05479	0.2
81.03409	1.3
81.07035	0.1
85.02894	0.7
91.05467	10.4
94.30956	0.1
94.31728	0.1
95.04984	0.1
95.08588	0.2
97.02878	0.4
99.04430	0.3
105.03342	0.2
105.06981	0.2
107.04929	0.8
109.02837	0.6
109.10133	0.2
111.00793	0.4
119.04925	24.6
120.05257	0.4
121.02834	0.8
127.03911	0.9
131.04813	0.1
133.02843	0.2
133.06458	0.2
137.02296	0.3
137.05975	0.2
145.04898	0.1
145.06514	0.3
147.04387	100.0
148.04703	1.4
153.01794	2.0
161.05904	0.1
165.01820	0.7
165.05464	0.7
167.07036	0.4
181.04921	0.8
183.02831	0.4
185.06000	0.2
197.05930	0.1
213.05453	0.6
231.06505	0.3
241.04953	0.3
258.05081	0.5
259.06039	0.3
269.04468	0.2
270.05148	0.1
271.05927	0.2
287.05453	45.9
288.05783	1.4
291.08594	2.1
299.05411	0.3
309.09735	0.8
327.04956	1.1
329.06534	0.3
385.12869	0.1
405.09637	1.6
406.09839	0.1
416.14597	0.7
433.09113	1.0
471.09277	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	594.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
54.66559	2.6
55.01857	11.5
55.05507	15.4
57.03419	7.5
57.07071	6.9
67.05495	41.4
69.07059	32.0
71.04976	5.3
71.63293	4.6
79.05483	31.0
81.03409	25.8
81.07046	49.1
83.04961	10.6
83.08599	11.2
85.02886	9.9
88.07617	9.3
91.05461	51.2
93.07036	33.6
95.01328	8.1
95.04429	2.7
95.04945	15.8
95.08601	27.0
95.55573	3.2
97.06528	20.1
97.10153	4.2
103.05374	2.8
105.07015	64.9
107.04954	12.5
107.08587	15.6
109.06472	3.7
109.10139	11.3
111.08073	7.1
111.75234	2.9
117.07007	12.9
119.08589	28.5
120.86189	2.5
121.06477	3.3
121.10117	13.7
123.08041	4.7
123.11718	3.1
124.99982	10.8
128.06105	2.9
129.06949	5.9
130.07695	3.5
131.08528	19.1
132.08885	2.5
132.54399	3.1
133.06531	3.3
133.10101	34.7
134.09624	10.2
135.07990	3.1
135.11691	4.1
144.08076	6.3
145.09016	3.7
145.10054	14.9
147.11676	22.8
149.09618	7.2
149.13216	5.7
157.10083	7.9
158.64168	3.4
159.11697	5.9
160.11197	79.1
161.13313	5.3
163.11110	6.0
175.11133	7.2
177.12715	4.4
178.12259	4.5
179.14236	9.0
193.12280	6.6
201.12790	3.1
211.13329	17.7
219.17426	3.9
235.55359	2.9
256.26315	13.9
257.18970	7.5
258.08884	100.0
259.09131	4.2
259.16968	6.3
267.15887	14.5
275.16934	3.9
275.19989	65.3
285.17004	27.7
293.21133	5.6
300.28790	6.9
349.23590	25.7
541.35248	33.6
559.36157	80.2
576.46356	15.4
594.33838	3.5
594.47552	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	594.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.4
55.05501	17.8
57.03424	10.6
58.19763	1.6
65.03918	1.8
67.05502	27.8
68.05811	2.4
69.03409	5.6
69.07063	9.0
70.80328	3.6
70.80661	1.9
71.04977	6.6
74.09705	1.6
79.05486	25.0
81.03410	53.5
81.06576	1.9
81.07049	27.2
83.04965	6.4
83.08607	17.6
85.02869	2.8
85.06528	2.6
91.05450	21.8
93.07035	20.5
94.07303	2.2
95.04964	22.1
95.08589	13.3
96.08946	1.5
97.02854	2.4
97.06501	4.9
97.10152	12.6
105.07023	16.6
107.04939	15.2
107.08571	16.1
109.06496	9.6
109.10139	7.7
111.04459	2.6
111.08070	4.5
115.05440	2.2
117.06988	6.9
119.08583	14.3
121.06483	12.2
121.10133	12.0
123.08033	5.0
123.11679	2.7
125.09623	15.0
126.09898	1.5
129.07008	10.4
131.04865	1.8
131.08572	10.8
132.08885	1.5
133.06520	2.9
133.10124	11.1
135.08020	6.6
135.11682	4.4
136.11966	1.6
137.05922	1.8
139.11079	1.6
143.08539	4.8
145.06459	7.3
145.10144	8.1
147.04340	4.6
147.08020	6.6
147.11629	8.3
149.09581	7.3
149.98665	1.7
151.07509	2.3
151.11147	2.5
153.09148	2.2
155.08525	2.0
157.10178	8.9
159.08054	2.6
159.11705	3.7
161.05922	2.0
161.09573	1.9
163.11162	5.6
165.08966	1.9
165.12810	1.8
167.06975	1.9
171.08023	2.5
171.11690	2.8
173.09590	2.0
173.13205	2.2
175.11172	8.1
183.11562	2.5
185.09734	1.6
185.13278	2.6
189.11214	6.7
189.12741	3.1
191.14272	2.5
193.12242	13.1
211.13193	2.4
215.14214	1.6
219.13647	2.4
223.13223	1.8
225.12740	1.9
227.12685	3.2
233.15250	6.0
249.14803	2.6
255.14005	1.8
267.15872	36.2
273.14801	5.9
275.19818	3.5
345.74704	2.1
349.21582	3.3
355.07919	1.6
367.22678	15.3
385.23776	24.5
403.24658	8.3
441.26050	9.3
459.27374	100.0
477.28415	83.1
491.30219	9.8
496.29459	2.8
509.30624	5.9
558.35278	2.9
576.36700	3.4
594.35480	3.2
595.33527	2.0
598.84961	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	2.2
53.03915	5.4
55.01869	16.1
55.05497	38.1
57.03432	17.5
57.07059	5.0
59.04978	2.5
65.03925	7.4
67.05493	99.1
69.03418	11.7
69.07056	28.7
71.04987	11.4
71.62904	2.9
79.05476	76.1
81.02924	2.3
81.03403	64.0
81.07040	100.0
83.04962	25.1
83.08602	23.4
85.02890	15.4
85.06522	4.7
91.05457	76.1
93.07025	73.8
95.04949	37.5
95.08582	39.3
97.02888	6.7
97.06513	22.0
97.10133	12.8
99.04408	3.8
99.08085	3.5
104.48578	2.2
105.07011	69.0
107.04939	18.5
107.08571	52.9
109.02847	4.5
109.06496	15.0
109.10131	34.3
111.04418	9.4
111.08070	15.2
113.06013	3.2
117.07003	16.2
119.08566	37.0
121.06470	14.4
121.10144	21.6
123.04380	3.9
123.08018	13.8
123.11681	9.2
125.09615	9.3
128.06169	2.9
129.06958	13.0
131.08537	33.9
133.06483	12.0
133.09094	3.5
133.10103	47.3
135.08020	15.3
135.11670	19.6
137.05939	5.0
137.09578	6.7
142.07735	3.6
143.08507	5.1
145.06429	2.6
145.10126	16.8
147.08005	12.3
147.11676	27.1
149.09608	17.9
149.13232	6.6
151.11110	17.0
153.12698	2.8
154.51305	2.3
155.08476	2.5
157.10088	15.7
159.08008	4.4
159.11646	8.2
161.09586	9.7
161.13205	5.6
163.11189	13.3
165.09151	5.1
165.12718	8.2
169.10138	3.8
169.12247	4.5
171.11636	8.2
173.09567	4.3
173.13187	4.9
175.11165	15.5
177.09122	6.4
177.12720	4.2
179.10722	3.1
179.14307	3.8
181.12228	4.1
185.13257	4.6
187.11143	3.4
189.11188	3.8
189.12767	2.9
191.10701	2.9
193.12209	37.8
195.13768	4.0
199.11195	4.2
203.14272	3.3
206.11101	2.8
211.13243	46.1
211.35643	2.6
223.13171	3.9
227.12709	6.8
227.17876	3.2
245.19038	7.4
251.12718	5.4
253.14316	18.3
263.20026	6.2
267.15845	23.6
269.17395	3.2
273.18460	42.6
275.20056	10.4
278.57892	2.3
283.15466	4.8
285.14001	3.4
285.16916	40.2
291.19467	57.7
292.19998	2.9
293.20978	3.3
301.16458	4.3
309.20645	5.0
346.69824	2.3
347.22125	10.0
349.23376	5.7
351.24841	2.7
365.23129	29.2
423.27347	6.6
449.28836	4.1
539.33209	4.3
557.34863	17.7
575.35583	54.8
576.35223	5.2
593.32733	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.4
55.01866	43.5
55.05502	52.5
57.03429	21.6
57.07059	5.7
59.04989	3.0
65.03941	6.4
67.05496	92.9
68.05840	1.9
69.03433	12.0
69.07057	49.5
69.89125	3.8
69.89537	5.9
71.04982	11.1
73.02913	2.4
73.06506	1.5
77.03902	2.0
79.05482	82.0
81.03409	48.2
81.07046	100.0
81.96228	1.8
82.04175	1.9
82.07378	1.9
83.04965	27.6
83.08607	28.6
85.02897	11.0
85.06532	6.5
87.83270	1.6
91.04890	1.9
91.05463	72.8
93.07032	75.4
95.04957	35.9
95.08592	49.0
97.02886	4.6
97.05901	2.9
97.06521	48.1
97.10152	23.9
98.07297	4.1
99.04420	3.0
99.08094	4.0
103.05460	3.0
105.04500	1.7
105.07021	59.8
107.04940	28.6
107.08583	46.5
109.02866	2.4
109.06492	20.7
109.10136	32.4
111.04428	7.5
111.08070	12.6
111.68633	1.6
113.05982	3.8
115.05434	3.5
116.04693	5.9
117.07005	21.5
119.08565	45.5
120.05656	2.1
121.06486	13.8
121.10133	29.5
123.04404	2.2
123.08057	17.1
123.11687	8.6
125.05952	2.5
125.09615	20.8
126.78889	1.7
127.07571	2.1
127.11204	1.9
128.06203	3.2
129.05482	11.1
129.06982	18.6
131.08551	30.5
133.06465	6.3
133.10121	36.2
135.08040	10.7
135.11665	19.4
137.05971	2.3
137.09613	11.1
139.11203	2.4
141.06972	3.1
142.07787	3.8
143.07024	4.9
143.08563	7.2
145.06454	3.3
145.10098	24.2
147.08028	6.2
147.11659	27.1
148.08977	3.0
149.09593	37.3
149.13200	8.6
151.11148	7.4
153.09125	4.2
153.12666	2.3
155.08562	3.2
157.08614	7.3
157.10100	15.8
159.08089	3.8
159.11687	16.4
161.09598	6.5
161.13206	5.5
163.11162	18.0
165.09067	4.1
165.12750	4.9
167.10660	2.4
169.10182	3.5
169.12207	2.4
171.10326	3.1
171.11711	5.8
173.09607	3.5
173.11734	4.9
173.13240	6.6
175.11185	13.5
177.09155	2.3
177.12741	7.4
179.14261	3.1
181.12239	4.9
183.11653	4.0
185.11774	2.3
185.13263	5.3
187.11162	4.2
189.11188	13.6
189.12732	3.0
191.10692	4.3
191.14304	2.2
193.12219	21.7
195.13744	2.3
199.13268	4.0
201.12540	1.7
205.12250	2.0
209.11691	4.6
211.13225	28.9
211.14890	1.5
213.12744	1.7
215.14291	2.7
223.13287	3.0
227.12723	19.3
229.14265	7.8
229.19550	3.8
247.16824	2.2
247.20601	4.1
251.16356	1.9
253.14299	4.9
255.15733	3.9
257.18939	5.4
263.20044	2.5
265.14493	1.9
267.15930	15.9
269.17447	3.3
273.18484	15.6
275.20032	60.1
283.15411	5.6
285.16956	16.8
291.19510	35.8
293.21036	7.8
301.16422	27.9
309.20490	2.4
331.22879	2.3
337.23767	1.8
347.22101	5.8
349.23682	33.3
351.21512	2.2
365.23163	17.1
397.21912	2.3
439.26816	5.2
447.28766	1.7
449.28928	2.1
453.28171	2.8
465.29596	2.2
477.28238	2.5
479.29752	4.9
483.30698	2.5
495.29233	3.0
518.82111	1.8
531.32965	2.1
539.33539	2.3
557.34631	15.4
558.35266	3.1
559.36438	2.3
575.35736	41.7
593.36951	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69446	1.1
53.03933	2.9
55.05499	3.2
57.03408	1.2
57.07060	2.6
59.04983	1.8
65.03927	1.5
65.62327	0.9
67.05493	15.6
68.26695	0.9
69.03424	11.5
69.07068	2.0
71.04980	2.6
71.61723	1.3
73.02896	1.4
79.05480	3.5
81.03405	4.2
81.07043	10.3
83.04963	2.5
83.08606	1.6
85.02891	36.8
85.06530	8.1
91.05443	7.2
93.07030	8.2
95.04957	4.2
95.08593	49.3
96.08953	1.3
97.02885	7.6
99.04447	4.4
103.05500	1.6
105.03355	2.8
105.07014	17.7
106.03725	0.9
106.94684	0.9
107.08560	7.6
109.02867	4.6
109.06501	7.5
109.10139	15.9
111.04385	1.4
113.05978	6.2
115.03828	1.0
117.07001	3.0
119.08566	25.7
121.06505	1.9
121.10126	14.7
123.04424	2.3
123.08047	22.9
123.11691	34.0
125.05975	7.7
127.03903	12.6
129.07117	1.1
130.07776	0.9
131.08549	4.4
133.06454	2.9
133.10110	6.4
135.08051	2.3
135.11659	8.8
137.05978	2.0
137.09625	2.1
139.07539	2.0
143.08533	1.2
144.08084	1.0
145.04922	4.3
145.10095	5.1
147.08047	4.8
147.11668	27.2
149.09604	27.0
151.03885	1.3
151.07512	10.2
151.11140	1.7
151.14742	1.5
153.01813	2.2
153.95383	1.0
156.09315	4.0
159.08028	2.0
159.11678	1.6
159.31433	1.1
161.09549	1.4
161.13237	10.7
163.11160	6.9
165.12744	6.2
167.07080	2.7
167.10663	8.0
171.11646	5.0
174.10362	6.2
177.05479	1.2
179.14288	3.5
189.12720	48.4
190.13118	1.3
191.14326	2.2
207.13771	100.0
208.14061	1.8
209.08043	1.2
209.15239	1.5
225.14847	16.0
251.09233	1.7
255.13789	1.7
303.04929	3.3
311.61502	1.6
333.16943	25.1
351.17981	46.9
355.07098	1.2
369.19043	24.4
387.20123	4.3
395.25470	2.5
399.13651	2.1
399.18893	1.3
399.63611	2.0
399.68851	2.5
406.17432	1.3
413.26666	2.6
575.31659	2.7
593.22009	5.9
593.32697	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23420	0.2
70.06898	1.0
79.36932	0.2
79.51642	0.2
86.82372	0.2
88.86120	0.2
98.21111	0.5
109.51482	0.2
216.59572	0.2
300.14868	0.2
305.19101	0.2
310.13284	0.2
386.15536	0.2
387.16177	0.4
388.16522	0.5
389.17535	1.1
390.18542	0.3
391.18839	0.3
401.17969	0.3
402.18347	0.8
403.14551	0.3
403.19211	3.0
404.19843	1.0
405.20554	1.5
406.21185	0.4
411.40430	0.2
415.19308	0.5
416.15717	0.3
416.20511	0.5
417.16580	0.8
417.21255	3.5
418.21686	2.0
419.22311	3.2
420.22873	0.4
430.17172	1.0
431.18057	7.2
432.18350	1.6
432.24014	0.6
433.24060	6.6
434.25058	1.1
443.18649	0.4
444.18924	0.5
445.19916	9.2
446.20764	4.8
447.21552	4.2
448.22498	0.3
449.23404	0.5
459.21625	2.4
460.22507	9.9
461.23196	8.0
462.24338	0.3
463.21335	0.4
473.23520	2.3
474.24039	0.5
476.25613	0.9
477.22556	0.7
477.27545	0.3
487.25320	1.1
488.25418	0.3
491.24188	0.8
492.25156	1.2
505.21817	3.6
518.23151	0.5
519.24121	0.3
533.25427	36.0
534.25769	2.1
547.26929	0.4
561.24780	0.4
564.24011	0.4
565.28241	0.7
575.26672	0.4
593.27502	100.0
594.27734	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	593.2746
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
58.19910	0.3
58.87059	0.3
68.70370	0.2
69.45192	2.4
81.96021	0.2
84.33729	0.2
123.09636	0.3
129.24895	0.2
140.74005	0.3
156.03905	0.3
176.76564	0.2
192.56006	0.3
204.62823	0.3
209.10841	0.2
216.93571	0.3
252.29247	0.3
385.42850	0.2
389.17584	0.8
390.18433	0.3
391.19247	0.4
401.18088	0.3
402.18402	1.1
403.19119	2.6
404.19672	1.3
405.20682	2.1
416.20551	0.5
417.16660	1.0
417.21301	3.7
418.21979	1.9
419.22357	4.3
420.22964	0.6
430.17233	1.2
431.18182	9.1
432.18417	2.4
432.24023	0.7
433.24170	5.9
434.24774	1.2
444.19125	0.4
445.19843	9.6
446.20560	4.6
447.21588	5.1
447.26663	0.4
448.22864	0.4
449.23044	0.6
459.21411	3.6
460.22485	9.0
461.23126	7.6
462.19974	0.3
462.24298	0.3
463.20993	0.4
473.23792	2.1
474.24005	1.1
476.26031	0.6
477.22549	0.4
487.24875	1.0
489.26831	0.3
491.25058	1.5
492.25467	1.3
505.22009	5.1
515.24365	0.4
518.22742	0.6
519.23859	0.9
533.25409	25.5
534.25726	0.8
561.25238	0.6
564.23407	0.7
565.27740	0.5
575.26306	0.4
593.27478	100.0
594.27759	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	592.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19442	1.0
53.03938	2.4
55.01868	4.9
55.05500	7.6
56.05017	2.7
57.03437	4.3
57.07057	3.4
60.04512	1.6
67.05497	22.5
69.03414	4.4
69.07061	6.7
69.44661	3.6
69.45090	4.3
71.04971	3.8
71.05303	0.9
73.64285	0.7
79.05058	1.5
79.05483	20.5
80.04995	1.7
80.05790	1.0
81.03432	5.4
81.05769	1.8
81.06570	1.5
81.07045	25.6
82.06554	3.0
82.07366	2.0
83.01341	1.0
83.04962	4.6
83.08622	4.9
84.05261	0.8
85.02872	2.7
85.04636	0.8
85.06520	2.3
87.04443	3.6
89.68739	0.8
91.05460	13.2
92.05795	1.4
93.07034	27.8
94.06551	16.1
94.07352	1.6
95.04976	7.1
95.08599	26.0
96.08141	1.8
97.02846	1.4
97.06522	8.9
97.10149	3.0
105.07027	17.0
106.07321	2.8
107.04936	3.4
107.07314	1.8
107.08556	5.5
108.08934	0.9
109.06501	2.4
109.10128	5.1
109.73885	0.8
110.09678	9.2
111.04390	1.2
111.08072	15.6
117.07002	3.1
118.07342	1.2
119.08569	6.2
121.06498	2.6
121.10095	4.2
121.38259	0.9
122.09657	32.4
122.10445	1.2
123.04391	1.2
123.08055	29.6
123.11698	2.5
125.09608	2.3
127.03845	0.8
127.11226	1.4
128.09775	1.7
128.10706	29.2
129.05434	0.9
129.06979	1.2
131.08554	3.6
133.06464	1.1
133.10117	5.6
134.10452	1.1
135.11700	3.6
140.10686	100.0
141.09065	11.1
145.10101	2.8
147.11697	2.5
149.09604	1.9
149.13249	0.9
151.11159	2.6
157.10149	1.2
158.10547	1.2
158.11743	6.1
159.11740	1.2
161.09610	1.4
163.11195	2.2
173.13162	1.4
175.11197	1.1
179.14265	1.2
181.12289	0.9
193.12212	1.0
195.13831	1.0
201.14780	1.8
221.22318	0.8
227.12781	1.3
245.19072	1.0
253.14476	1.1
269.17432	2.2
272.25790	7.3
273.18512	1.8
274.18759	2.3
275.20099	3.2
279.84048	0.8
283.15268	1.5
284.15811	1.6
291.19531	2.7
292.19791	2.5
300.14908	1.0
301.16397	1.6
314.27649	1.0
349.23706	1.3
364.32388	1.1
365.22867	1.3
376.31839	1.0
382.33142	9.5
394.33044	20.9
395.27853	3.6
412.34174	79.9
413.34470	1.5
494.27963	0.8
574.34229	4.5
575.35602	2.4
592.35291	3.6
593.33911	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.3
53.03931	4.8
55.01618	1.7
55.01862	22.8
55.05499	43.3
57.03426	10.7
57.07064	9.2
59.04982	2.4
65.03922	3.4
65.32999	1.3
67.05492	71.9
69.03416	14.0
69.06714	2.3
69.07056	31.6
71.01344	1.2
71.04988	6.6
71.08616	1.9
71.62185	1.4
73.02873	1.6
75.95138	1.2
79.05475	55.2
81.03406	19.3
81.07040	56.3
82.04174	3.4
83.01341	1.9
83.04970	19.0
83.08601	21.0
85.02882	4.3
85.06508	4.6
89.43357	1.1
91.05463	44.8
93.07025	44.7
93.07618	2.6
95.01318	2.0
95.04952	25.6
95.08589	31.6
97.02870	13.1
97.06502	13.7
97.10149	23.6
98.07269	3.3
99.04440	2.0
99.08101	2.0
103.05511	1.4
105.07012	36.4
107.04934	17.4
107.08577	30.9
108.03592	1.1
109.02921	1.3
109.06504	9.0
109.10136	35.2
111.04388	7.2
111.08073	7.7
113.05987	1.8
115.05460	3.0
116.04646	1.3
117.05501	1.6
117.06994	16.1
119.08559	28.1
121.06487	9.4
121.10125	14.6
123.04383	2.5
123.08041	13.2
123.11726	3.4
125.05983	1.8
125.09614	18.8
127.07501	1.4
127.11190	2.1
128.06198	2.3
129.05470	2.4
129.06985	10.2
130.07808	2.6
131.08551	18.6
133.06465	8.8
133.10104	23.0
135.08054	10.5
135.11659	12.4
137.05934	1.9
137.09599	8.0
139.07518	1.8
139.11197	1.4
142.07782	2.3
143.08551	6.1
145.06465	3.5
145.10094	19.1
146.10448	1.1
147.08040	11.0
147.11641	12.4
149.09599	12.1
149.13237	2.8
151.11151	6.0
153.09059	3.2
153.12680	2.5
155.08478	1.6
157.10077	8.3
158.05724	3.1
159.08046	3.8
159.10478	1.4
159.11610	7.2
161.09584	7.8
161.13271	1.5
162.10446	1.5
163.11131	10.3
165.09074	3.2
165.12761	2.3
169.10107	2.5
171.06531	3.4
171.10130	2.5
171.11646	5.5
173.09621	5.6
173.11700	3.2
173.13197	2.7
175.11150	10.1
177.09091	2.6
177.12746	3.1
179.10657	1.8
181.12277	3.9
183.11650	1.6
185.08049	2.4
185.09566	2.2
185.13264	2.3
187.11192	1.8
187.14740	1.9
189.11229	10.4
189.12712	2.8
191.10663	3.5
193.12230	5.1
195.12016	1.5
195.13805	2.9
199.09567	2.3
199.13173	1.4
201.14769	1.6
205.12221	2.4
209.11703	7.0
210.12299	1.4
211.13287	5.6
219.13768	1.3
223.13210	21.1
227.12729	12.6
227.18024	1.8
227.85660	1.3
229.14313	2.5
245.19005	1.7
249.14946	2.0
253.14317	3.9
255.15660	2.4
261.18729	1.7
261.22031	2.3
263.20023	3.3
267.15955	3.7
271.17038	2.0
272.71100	1.3
273.18445	26.0
275.20096	6.1
283.15332	14.1
284.15894	1.6
289.18054	3.6
291.19492	100.0
292.19849	3.6
299.14859	1.5
301.16547	2.2
307.19000	2.5
309.20514	1.9
313.27289	3.6
345.20657	1.7
347.22171	5.4
363.21576	1.9
365.23163	9.7
383.38403	1.3
385.23529	1.3
419.24170	2.8
421.25879	5.2
447.27600	2.3
490.32828	1.7
501.32288	1.7
519.33020	10.7
545.34912	1.6
555.33038	4.8
573.34100	27.3
574.35168	6.1
591.35193	67.5
592.35376	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	591.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78101	2.4
56.96542	4.8
61.02914	2.8
64.74488	3.1
69.03413	7.8
71.61797	3.1
71.62206	5.4
81.03402	3.7
81.11145	2.6
85.02896	16.1
97.02872	11.3
98.97566	7.5
101.00865	4.4
113.80152	2.9
119.01915	14.2
127.03912	6.9
128.98618	2.7
131.01926	7.3
134.03012	2.5
134.99556	3.3
137.02911	3.3
137.05974	23.6
139.03922	3.3
142.01106	4.2
143.01869	9.0
145.03403	9.1
146.99632	2.8
147.04410	8.4
153.01808	20.3
155.01859	9.2
159.03117	3.4
160.02164	6.0
161.02959	19.6
169.03477	2.7
173.02856	6.7
179.07005	4.2
181.03461	4.5
186.03690	3.6
187.04526	4.2
195.05022	20.1
196.02203	9.6
197.02959	4.3
203.03928	4.7
205.03354	2.8
210.03760	3.6
213.06131	4.0
218.04205	3.3
219.01764	3.9
219.05035	22.4
221.03043	5.1
221.04970	18.8
222.03731	5.1
223.04611	5.8
231.05171	3.9
236.05127	6.7
237.02888	4.5
237.06071	27.5
240.04736	3.5
244.04266	57.8
245.06924	3.4
247.04503	6.0
249.06110	4.4
259.04623	4.4
261.06094	8.5
262.05203	13.3
264.04752	16.9
276.04834	2.8
277.03326	2.9
279.07098	14.0
285.00229	2.8
291.07050	4.7
297.08508	2.9
303.01324	15.9
303.07007	3.8
304.01410	3.6
307.06494	15.2
309.08386	8.4
321.08307	9.1
323.09644	5.5
331.06223	2.9
336.06842	14.2
348.06854	47.9
349.07513	9.1
351.09183	4.0
363.09195	9.7
366.07922	9.9
369.10211	5.3
381.10199	34.9
382.10623	2.9
399.11301	63.9
400.11386	4.5
414.59497	3.2
417.12500	15.1
537.10358	3.9
555.11945	19.8
573.12909	47.3
591.13910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.9
53.03940	2.3
55.01865	1.7
55.05503	12.5
57.03429	9.7
57.07066	36.8
57.84118	0.9
65.03922	2.5
67.05495	33.4
68.21353	0.9
69.03405	1.1
69.07059	14.8
69.87841	5.6
71.04981	2.1
71.08620	27.9
71.46342	1.0
79.05482	25.8
81.03396	1.9
81.07045	37.0
83.04968	1.2
83.08604	14.3
85.06513	2.6
85.10165	14.3
89.06026	1.4
91.05469	40.5
93.07028	29.4
95.04958	2.8
95.08592	38.2
97.06527	1.9
97.10156	5.7
98.21268	2.9
99.08060	2.7
103.07581	1.5
105.07014	43.2
107.04929	1.3
107.08578	20.2
109.06490	2.0
109.09448	1.4
109.10141	16.7
111.08080	1.6
111.11695	1.8
112.54527	0.8
113.09633	2.0
115.05442	1.4
117.06992	11.1
119.08566	39.0
121.06490	1.3
121.10118	17.1
123.08018	1.0
123.11699	6.1
124.08398	0.9
125.09628	1.0
128.06221	1.2
129.05511	1.1
129.06973	8.6
131.08562	16.3
133.09100	1.9
133.10103	35.0
135.08031	1.2
135.11673	13.8
137.13234	1.9
143.08537	7.9
145.10103	15.1
147.08046	1.6
147.11665	34.0
149.09534	2.1
149.13237	7.8
157.10107	7.8
159.11667	15.6
161.13235	28.7
163.11192	2.9
163.14783	4.0
171.11665	10.6
173.13248	8.7
175.11081	0.9
175.14787	14.6
177.12747	1.1
179.14355	1.5
185.13280	9.7
187.14832	2.6
187.98976	1.1
189.12613	1.5
189.16385	1.0
199.14815	6.7
203.14198	1.0
213.16357	2.9
215.17934	1.5
217.19504	2.0
231.17458	2.0
231.21072	8.9
239.23584	4.4
241.19478	41.4
243.21077	1.3
257.24680	1.6
259.20544	90.6
267.15958	1.7
275.19861	1.4
277.21603	3.5
288.20358	1.1
289.21472	1.0
313.27325	100.0
314.27725	1.7
315.23297	5.8
333.24182	53.3
349.23883	1.0
351.24911	1.8
497.43356	2.0
505.38260	1.1
520.79083	1.1
571.47253	11.8
583.97461	1.0
589.48218	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01860	0.8
57.03424	0.5
65.03941	0.4
67.05489	0.5
69.03410	0.7
70.06580	1.8
70.93230	0.3
71.62069	0.5
73.02901	0.3
77.03916	0.4
78.85551	0.3
79.05478	2.9
81.03421	0.6
81.07063	0.4
85.02890	1.2
86.09663	0.5
89.29425	0.3
91.05472	4.0
93.03825	0.3
93.07029	0.8
94.04227	0.4
95.04972	1.6
97.02884	0.8
97.06483	0.5
103.05447	3.6
105.03407	0.6
105.07011	13.2
107.04931	2.4
107.08591	0.5
109.02825	0.6
109.06497	1.4
111.04438	0.4
115.05437	0.8
117.07035	0.3
118.04136	3.4
119.04926	3.6
120.05705	0.7
121.02790	0.4
121.06490	1.3
122.07273	1.0
123.04411	0.9
123.08031	1.8
124.05184	0.9
125.05920	0.6
127.03865	0.4
131.04916	6.2
133.02832	3.8
133.06467	13.7
134.07243	0.6
135.04410	1.3
135.08058	3.2
136.07513	0.4
137.05954	8.3
146.03642	0.4
147.04388	3.7
148.05142	0.6
149.05943	2.4
150.06746	8.9
151.03896	0.4
151.07521	5.2
152.08267	0.4
153.01820	1.3
161.05963	2.4
162.06693	0.3
163.07518	10.1
163.11119	0.3
164.07021	1.2
164.56134	0.3
165.05461	1.2
165.07576	0.6
165.09079	11.0
167.07007	8.3
167.08405	0.5
171.87256	0.3
175.07491	0.4
177.05394	0.7
178.06207	0.9
179.06981	5.2
179.10681	0.6
181.04865	0.4
181.08566	0.8
187.07466	0.4
191.06992	0.9
193.08574	49.0
194.08824	0.6
195.10141	1.3
197.11644	0.8
203.06927	0.4
207.10168	0.3
209.11694	0.4
211.09616	100.0
212.09993	0.5
213.11220	1.4
219.08337	0.3
225.11060	0.4
227.12830	0.5
229.14243	0.6
237.11159	0.3
280.13229	0.3
303.12485	0.4
318.10477	0.3
341.13574	1.2
361.16437	3.4
373.15979	0.5
433.17123	0.4
535.19379	0.3
588.25580	0.3
606.89520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28503	0.5
53.03937	0.5
55.01857	2.7
57.03424	2.4
58.65950	0.5
69.03406	2.2
70.07751	2.5
71.04978	9.5
73.02908	0.7
79.05460	3.0
83.04965	1.0
85.02883	9.3
86.56252	0.6
91.05460	6.0
93.07037	1.4
95.04943	2.3
103.05453	5.3
105.07011	32.8
106.04143	0.9
106.07343	0.9
107.04938	2.2
109.77023	0.6
111.04424	1.1
115.05437	6.7
117.06969	0.7
118.04128	1.5
119.04918	3.2
121.06482	5.7
123.04411	1.2
123.07996	0.8
127.03902	0.6
129.05455	2.3
131.04887	3.5
132.05659	1.4
133.06465	37.3
135.04391	0.8
135.08029	0.8
137.05949	1.9
143.04935	0.7
143.06021	2.1
145.06471	1.2
145.08453	0.6
147.04376	3.4
149.05942	8.9
151.03879	0.5
151.07513	3.6
153.05444	6.1
156.06514	1.0
161.05948	76.1
162.06322	2.0
163.03877	0.8
163.07515	1.4
165.05464	1.7
167.07005	30.3
168.07303	0.6
173.05952	1.6
175.07487	0.5
177.05457	4.5
179.06984	8.0
180.07794	0.7
181.08536	7.1
182.09225	0.8
187.07504	0.8
189.05522	0.7
191.06985	4.3
192.07733	3.3
193.08566	100.0
194.08919	2.4
195.06490	0.9
195.10251	0.7
197.08034	5.1
199.07642	0.5
199.09583	1.3
203.07021	0.9
205.08478	0.9
207.06525	1.1
209.08049	9.4
210.08743	1.4
211.09607	6.3
219.06500	0.9
221.08040	2.5
223.09709	3.3
223.98120	0.6
231.06517	0.6
233.08179	0.9
235.09621	1.0
239.09210	2.6
243.09967	0.7
247.09549	1.0
251.09048	0.7
263.09015	1.3
279.12271	0.8
289.10577	1.6
307.11743	2.8
325.12674	3.7
345.12885	0.6
357.13220	2.5
389.16000	4.0
401.15768	0.6
407.16849	2.0
419.16455	0.7
443.16907	0.9
473.17847	0.6
499.19247	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.6
55.05500	3.6
57.03411	0.9
57.07067	0.7
59.04986	0.6
61.02908	0.8
62.06085	0.6
66.37153	0.6
67.05499	6.2
69.03426	5.0
69.07060	4.1
71.04967	1.3
71.07366	0.8
71.08629	6.8
71.62682	0.9
72.08151	1.6
74.09700	1.0
79.05482	4.4
81.03387	2.5
81.07048	12.4
83.04963	1.6
83.08603	1.8
85.02908	3.5
85.06564	1.0
86.06055	32.9
91.05475	7.1
93.06293	0.6
93.07020	4.5
95.04948	3.0
95.08593	4.3
96.08114	2.0
97.02876	3.3
97.06520	2.7
97.60589	0.7
98.06056	1.2
98.09674	9.1
99.04463	1.4
99.08083	9.3
100.07602	0.9
102.32641	0.6
105.07020	7.1
105.21976	0.6
105.23097	0.6
107.08562	3.8
108.08105	1.4
109.02833	1.5
109.06496	2.7
109.10136	2.1
111.08043	0.8
116.10719	52.5
117.06972	1.3
119.08568	7.8
121.10119	4.6
122.09614	1.2
123.08071	1.6
123.11691	6.3
124.07572	0.8
127.03881	3.2
129.06998	1.6
131.04845	0.7
131.08566	1.8
133.10098	2.3
135.07973	0.6
135.11658	0.7
137.09581	0.8
137.13206	0.8
142.07648	0.7
142.08621	1.9
142.12222	0.8
143.08519	1.3
143.10657	4.0
144.24854	0.7
145.04886	1.2
145.10136	0.7
147.08055	0.6
147.11662	17.6
149.09576	1.2
150.12634	0.8
150.62065	0.6
154.15828	0.7
157.10104	4.6
159.11630	0.9
161.05959	0.9
163.11246	0.8
165.12738	5.7
175.11143	3.5
193.12198	2.0
196.16879	2.5
214.18001	27.5
229.14316	8.7
254.17715	1.0
255.15877	2.5
258.46762	0.7
261.13306	2.7
264.13153	0.7
293.83423	0.6
301.14215	1.1
308.22159	7.3
315.07782	0.7
326.23227	100.0
327.23651	1.4
376.23392	3.2
406.29376	4.3
424.30573	29.6
488.28513	21.8
569.30811	1.4
586.36108	13.8
587.32227	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	586.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.6
55.01833	0.8
55.05457	2.3
56.04990	0.6
57.03394	0.7
59.85926	0.4
61.02875	0.7
65.03882	0.5
67.05492	5.1
69.03419	6.4
69.07062	2.9
70.06525	0.9
70.81086	1.3
71.04928	1.4
71.08620	7.3
72.08086	2.3
73.02838	0.6
73.46450	0.5
79.05482	3.6
81.03410	2.2
81.07044	10.3
83.04906	1.3
83.08571	0.8
84.08086	0.6
85.02887	5.7
85.06486	0.7
86.06055	52.4
86.06560	1.7
87.04400	1.3
91.05466	8.0
93.07029	2.7
94.06527	0.4
94.07373	0.4
95.04952	2.7
95.08535	2.2
96.08127	3.0
97.02877	3.5
97.06519	3.8
98.09682	7.6
99.04375	1.5
99.08080	12.3
100.07543	0.8
105.07014	6.1
107.04889	1.1
107.08524	2.0
108.08065	0.7
109.02794	2.1
109.06492	2.2
109.10111	0.9
111.08018	0.7
112.07576	0.5
113.05927	1.7
114.09127	0.6
115.05444	0.5
116.10716	56.4
117.06892	0.7
119.08565	8.1
121.06411	0.8
121.10127	2.5
122.09596	0.8
123.08006	0.8
123.11633	1.3
124.07496	1.0
127.03892	4.0
129.06970	3.5
131.08498	1.7
133.10118	4.0
137.09557	0.5
140.10672	0.6
142.07794	0.6
142.08574	3.3
142.12189	1.6
143.10631	3.9
145.04875	1.3
147.08003	0.6
147.11665	21.0
149.09538	2.1
152.10576	0.6
157.10120	8.8
165.12759	3.3
175.09769	0.9
175.11172	13.5
183.10077	0.5
193.10608	0.8
193.12201	9.2
214.17995	8.6
229.14296	2.5
237.14714	0.7
241.17999	0.5
243.12140	0.9
255.15881	1.4
261.13315	3.6
308.22165	7.1
326.23215	100.0
327.23529	1.0
370.90610	0.5
376.23215	1.7
406.29453	4.5
424.30505	23.3
488.28494	29.6
548.10376	0.5
586.35883	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03930	1.7
55.01859	1.7
55.05500	3.5
57.03416	2.0
57.07049	0.9
58.24542	0.7
59.04994	0.9
61.02891	0.8
65.03928	1.2
67.05486	4.8
69.03431	4.3
69.07063	4.8
71.04986	13.7
71.14079	2.2
73.06526	1.6
78.04695	1.0
79.01830	1.0
79.05477	7.3
81.03409	3.9
81.07049	17.5
83.04961	1.7
83.08614	2.4
85.02892	5.8
85.06508	2.2
91.05467	8.5
93.07024	13.3
95.04956	1.7
95.08591	18.7
97.02862	4.2
97.06521	2.9
97.10145	2.3
99.08077	1.6
103.05479	0.9
105.07020	20.6
106.04172	0.9
106.07344	0.9
107.01316	1.2
107.04951	3.1
107.08582	15.0
109.02876	5.5
109.06487	2.0
109.10146	9.6
111.04430	1.4
111.08046	1.4
115.05477	0.8
117.06979	1.9
119.04888	1.4
119.08581	6.1
121.02879	0.8
121.06484	2.7
121.10123	9.8
122.03654	0.9
123.04422	3.0
123.07992	1.1
123.11671	3.6
124.05245	0.7
125.02347	2.6
125.09609	12.5
127.03905	7.9
127.07521	1.4
127.11147	2.0
131.04909	1.0
131.08574	4.2
133.02899	0.8
133.06465	2.4
133.10115	26.9
135.08061	1.7
135.11699	1.8
137.05978	5.5
137.09619	1.7
139.11124	1.3
143.03368	2.5
143.10652	21.7
145.10132	4.1
147.04391	2.1
147.11667	10.0
149.05969	2.0
149.09592	1.3
149.13239	12.9
151.03874	1.3
151.07455	0.9
151.11209	1.5
152.04701	1.0
153.01810	92.7
154.02136	1.0
155.10617	0.8
157.10121	0.9
159.08049	1.1
159.11659	3.6
161.06061	3.7
161.09576	0.9
161.13268	2.9
163.07602	1.9
165.09024	1.3
167.07022	100.0
167.14291	49.2
167.15770	1.2
168.07423	1.9
169.12233	0.8
171.02887	11.0
175.07495	1.0
177.05443	1.9
179.06938	1.4
181.04932	2.1
181.08598	3.5
191.06921	0.9
191.17984	1.0
193.08575	7.0
195.10188	3.0
201.16353	6.2
203.18007	1.5
205.08578	1.8
207.10132	1.1
209.08104	2.0
211.09613	18.6
213.11147	1.7
219.17421	24.5
220.34317	0.7
221.18959	1.0
235.09564	1.4
235.13318	1.4
237.18524	3.0
249.11203	1.4
257.15414	0.8
279.04883	1.1
297.06046	4.4
297.25610	0.8
315.07043	29.5
321.13297	2.4
326.23373	1.3
331.06561	1.7
394.37045	0.8
488.28009	0.9
586.29980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.6
55.05500	18.0
57.07051	6.9
57.59304	2.1
59.05001	2.3
61.72842	2.1
65.03931	3.8
67.05493	26.6
69.03424	4.9
69.07051	19.0
70.68156	8.1
71.04946	4.0
71.29691	2.4
79.05485	34.9
81.07040	48.0
83.04963	8.4
83.08597	7.6
91.05470	48.8
93.07027	77.2
95.04970	17.8
95.08597	35.1
97.06518	8.3
98.20839	2.6
103.05435	3.4
105.07015	100.0
106.07306	3.4
107.08575	59.8
109.06490	8.8
109.10144	42.4
111.08018	3.0
111.11685	2.4
115.05440	6.4
117.06989	18.8
119.08562	100.0
121.06489	3.1
121.10130	75.3
122.04436	2.8
123.08073	10.9
123.11667	11.2
125.09606	4.0
128.06189	9.0
129.06960	17.9
130.07768	11.1
131.08533	38.9
133.10115	65.2
135.08041	7.3
135.11679	29.7
137.09608	9.0
139.11163	6.2
141.06969	6.1
142.07756	13.4
143.08551	31.3
144.09315	9.2
145.10098	82.6
146.10492	4.2
147.08035	5.1
147.11662	47.6
149.09595	8.7
149.13255	3.2
151.11143	6.5
154.07811	2.6
155.08539	10.9
156.09306	12.7
157.10097	51.7
158.10802	5.4
159.11679	39.6
160.12137	2.7
161.09557	4.1
161.13206	10.8
163.11171	7.9
165.07028	4.0
165.09114	4.3
167.08525	8.1
167.10629	40.8
168.09290	4.4
169.10081	20.5
170.10941	7.4
171.11661	29.3
173.13275	22.7
174.13715	2.5
175.11163	3.2
175.14786	20.9
179.08528	5.9
180.09302	4.4
181.10139	12.2
181.12213	6.3
182.10892	6.7
183.11649	19.8
184.12386	2.9
185.13217	13.3
187.14807	11.5
189.12816	2.6
191.14313	5.4
192.09215	2.2
193.10054	7.3
193.15872	2.7
193.46667	2.7
194.10883	4.6
195.11681	14.2
196.12340	6.6
197.13237	19.4
199.14795	9.0
201.16315	11.0
203.14380	6.5
206.10886	3.0
207.11644	5.3
208.12427	4.4
209.13191	14.0
211.14787	18.9
213.16335	10.1
217.15808	2.6
219.11560	4.0
220.12195	3.2
221.13193	9.5
221.15372	13.7
223.14929	13.9
225.16293	7.8
229.15848	3.4
235.14774	6.0
237.16356	5.7
241.19397	4.2
249.16235	3.2
253.19424	2.5
257.18997	3.2
259.14795	3.6
263.18024	3.8
265.19495	5.4
271.20496	3.4
275.17896	3.2
277.19449	4.6
283.20529	4.3
291.21048	3.9
361.07880	2.5
361.25211	2.5
363.26578	2.9
364.27222	4.7
429.31354	4.8
549.40863	5.0
567.41663	10.4
585.42944	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	585.2745
Annotation	Ebracteatoside B
Peak:m/z	Relative Intensity
51.09816	1.7
53.03941	3.2
53.52177	1.8
55.01851	2.4
55.05504	4.7
57.03420	3.2
67.05486	8.9
69.03421	18.8
69.07060	14.5
69.88904	12.1
71.04976	4.7
79.05484	15.5
81.03389	17.6
81.07052	28.3
83.04978	10.6
83.08601	3.5
85.02902	11.4
85.06526	2.7
91.05485	9.3
93.07037	34.6
95.04963	9.6
95.08587	14.9
97.02859	7.7
97.06523	20.8
99.04430	16.6
105.07014	22.9
107.04930	6.3
107.08578	21.4
109.02876	29.2
109.06503	22.1
109.10110	4.0
111.04435	2.4
111.08070	12.5
111.71755	2.2
113.05973	3.0
117.05476	3.2
119.04948	1.8
119.08552	13.9
121.06480	45.0
121.10122	5.3
123.04459	3.6
123.08031	5.3
123.11726	4.8
125.05963	8.7
127.03056	3.6
127.03912	29.7
127.07520	10.6
129.06963	4.8
131.08537	5.3
133.06483	4.2
133.10107	8.0
135.04411	3.8
135.06512	2.0
135.08014	14.1
135.11707	2.1
137.05923	7.0
139.07500	13.7
141.05453	1.8
143.07016	10.7
143.08517	4.7
145.04973	3.1
145.10106	6.3
147.08040	2.1
147.11662	41.7
149.13228	4.5
156.09338	2.8
157.08557	7.4
157.10091	13.4
159.06593	2.0
161.09489	3.3
161.13237	9.0
163.11140	3.3
165.12733	23.4
167.07059	4.0
169.12210	8.1
171.11703	13.3
172.35901	2.0
173.09584	5.2
173.13202	2.3
175.07512	2.9
175.11150	26.2
181.10042	2.1
187.06030	10.6
189.09129	3.6
189.12738	20.1
191.14413	2.5
193.12230	25.6
199.11153	19.3
205.07033	5.1
207.13792	14.5
211.13274	20.3
217.12206	70.0
229.14369	8.1
235.13271	88.6
236.13725	1.9
237.98848	1.9
238.37939	1.8
243.27107	1.9
248.89285	2.2
251.12677	2.4
253.14325	100.0
271.15369	16.5
289.16434	3.7
313.16440	3.5
321.11755	5.7
343.15421	2.8
361.16098	10.4
379.17508	16.7
397.18500	23.5
415.19424	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	584.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.05497	5.4
57.06828	1.4
57.07070	9.5
59.04989	2.3
65.03937	1.3
67.05499	11.3
69.03421	4.5
69.07058	7.8
70.22313	5.9
79.05486	13.5
81.07047	16.7
82.07362	1.2
83.04971	3.5
83.08603	3.5
85.06535	4.4
89.06045	1.8
91.05458	22.3
92.05782	1.2
93.07025	31.6
95.04939	8.1
95.08596	20.9
97.06535	3.6
97.10177	1.6
103.05419	1.4
105.07009	43.1
106.07278	1.4
107.08578	27.5
107.09283	2.1
109.06461	7.3
109.10122	11.1
111.08060	2.0
111.96419	1.2
115.05460	2.6
117.07002	12.0
119.08558	52.3
120.09411	1.4
121.06520	4.5
121.10122	22.0
123.08052	10.0
123.11730	3.0
125.05974	3.2
128.06175	7.4
129.07011	9.7
130.07739	4.4
131.08545	31.5
132.09375	2.5
133.08632	2.1
133.10104	26.6
133.11058	1.9
135.08018	8.8
135.11668	13.1
135.51227	1.2
137.09613	7.2
139.07532	2.1
139.11195	1.9
141.07004	4.4
142.07761	10.5
143.08524	23.6
144.09331	8.5
145.10101	41.7
147.08005	13.5
147.11674	9.4
149.08476	1.3
149.09612	6.4
149.13272	1.8
151.07512	6.0
151.11221	1.4
155.08540	9.2
156.09332	10.9
157.10112	36.6
158.10822	7.1
159.08093	2.9
159.11667	26.1
161.09624	7.7
161.13184	5.8
163.11182	8.3
163.14796	1.5
165.07007	2.1
165.09079	20.5
166.07919	1.4
166.09273	1.3
167.08557	3.5
168.09335	4.6
169.10110	13.5
170.10886	7.3
171.08011	1.5
171.11662	19.8
172.12459	5.7
173.09583	2.8
173.13246	16.0
175.11180	11.1
175.14757	7.1
177.09172	1.7
177.11298	1.6
177.12755	2.6
179.08601	3.8
180.09303	2.9
181.10149	9.9
181.12125	7.7
182.10942	4.9
183.11656	16.5
183.13156	1.3
184.12471	3.7
185.09636	1.8
185.13225	13.8
187.11226	3.1
187.14748	6.7
189.12718	4.9
190.13536	3.4
191.08647	1.5
191.10649	2.1
191.14374	2.3
193.10153	4.8
193.12283	5.5
194.10947	3.8
195.11705	11.4
195.13542	2.2
196.08932	1.6
196.12508	3.0
197.09779	1.4
197.13231	14.5
198.10445	1.6
198.13972	2.6
199.11214	2.9
199.14877	3.8
200.12019	1.4
201.12767	4.1
201.16371	3.2
203.14336	10.6
205.10127	1.7
206.10880	1.9
207.11745	6.5
207.13835	8.8
208.12463	3.6
208.14626	4.7
209.13226	12.1
210.13956	3.1
211.14735	9.5
213.12729	2.9
213.16402	2.6
217.15967	2.3
219.11702	3.0
219.13783	2.9
220.12544	1.7
221.13232	6.8
221.15291	48.3
222.13890	2.8
222.15828	3.0
223.11351	1.6
223.14758	9.5
224.15582	2.9
225.12712	1.9
225.16377	4.1
227.14383	1.5
229.12285	1.3
229.16032	2.7
232.12416	1.7
233.13336	3.7
234.16136	8.5
235.14854	5.3
237.12820	3.2
237.16440	4.0
245.15454	2.2
247.14851	2.5
247.16992	9.4
249.16470	1.6
251.14346	2.2
251.17996	3.5
253.19626	1.8
253.88010	1.4
255.17522	2.0
261.16385	2.0
263.17929	3.6
265.19565	3.4
267.17294	1.8
271.17090	2.4
271.20425	1.6
274.19443	3.4
275.17822	1.7
277.19400	1.4
279.17383	2.4
279.21277	1.7
281.19098	2.8
283.20596	1.7
285.18808	2.2
285.22183	1.9
286.19302	2.1
287.20215	2.9
293.18735	1.5
296.21353	1.5
297.21976	1.7
299.20020	7.9
300.20877	1.7
307.20627	1.9
309.22153	1.5
310.19318	1.6
311.20132	3.1
312.20844	2.8
312.24496	1.8
319.20654	1.9
324.24588	1.4
325.21548	9.5
337.21530	6.8
352.23889	61.9
353.24350	2.4
365.24640	10.5
371.22607	2.1
391.26282	3.9
397.27499	1.9
398.28088	3.4
404.30771	4.8
406.58994	1.3
411.28912	1.6
412.29648	14.2
425.30600	3.0
438.31274	12.9
439.31409	1.7
460.70599	1.3
474.34778	1.6
489.33762	5.6
491.35074	12.2
492.35513	13.0
504.35895	100.0
505.36188	4.9
566.40967	2.7
569.39978	2.0
584.42035	40.5
584.55475	5.9
585.35559	2.0
585.43640	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70165	1.6
52.47047	1.7
53.03944	2.9
55.05509	10.6
57.07071	12.8
59.04990	2.4
62.89257	1.6
65.03918	2.2
65.84051	1.7
67.05510	15.2
69.03432	7.2
69.07069	11.9
69.31047	20.8
70.06571	3.1
70.84901	1.7
77.03914	2.1
79.05486	18.9
81.07046	26.8
82.07393	2.3
83.04987	4.1
83.08617	5.2
85.06513	3.8
86.05261	2.1
89.06018	7.1
91.05471	28.7
93.07037	41.4
94.07352	2.9
95.04965	7.9
95.08597	23.4
97.06528	2.9
105.07020	44.1
106.07324	3.1
107.08584	35.5
108.08893	2.6
109.06525	6.7
109.10139	14.9
111.08059	2.6
115.05421	4.0
117.07001	13.7
119.08571	65.6
120.08886	2.6
121.06507	7.2
121.10134	21.8
122.10499	2.7
123.08051	10.4
123.11718	4.2
125.06000	3.8
125.09591	2.5
128.06215	4.0
129.07014	9.8
130.07784	6.3
131.08551	35.3
132.10289	1.9
133.06461	2.3
133.08578	3.8
133.10117	31.0
134.10451	2.2
135.08052	12.7
135.11693	13.9
137.06035	2.7
137.09601	9.0
139.07526	2.1
141.06972	3.7
142.07782	11.2
143.08556	25.4
144.09306	6.8
145.10110	43.2
147.08022	11.2
147.11696	14.3
149.09607	7.7
151.07558	7.4
153.07014	3.0
154.07741	2.1
155.08542	10.2
156.09309	12.1
157.10114	44.0
158.10822	8.0
159.08041	3.3
159.11690	28.6
161.09616	9.0
161.13251	6.7
163.11185	8.2
164.63849	2.0
165.07034	3.1
165.09091	26.0
167.08473	4.1
168.09340	5.7
169.10109	19.2
170.10831	7.8
171.08105	2.9
171.11661	22.9
172.12286	3.7
173.09587	5.8
173.13235	15.0
174.13802	2.1
175.11188	8.3
175.14799	11.7
176.15277	2.2
177.09117	2.1
177.12660	1.9
179.08534	5.4
179.10643	1.7
180.09283	3.0
181.10127	11.3
181.12192	6.9
182.10851	4.5
183.11700	19.8
184.12263	3.5
185.09615	4.1
185.13274	14.3
187.11177	2.7
187.14836	5.9
189.12764	4.0
190.13426	3.0
191.10715	2.3
191.14325	3.0
193.10135	9.6
193.12262	7.0
194.10912	7.5
195.11711	13.5
195.13570	2.5
196.12445	5.8
197.09557	2.1
197.13211	16.4
199.14844	7.3
200.15404	2.7
201.12683	3.7
201.16325	2.4
203.14291	13.8
206.10922	2.1
207.11633	7.5
207.13808	7.1
208.12421	4.7
208.14333	3.4
209.13246	13.2
210.13908	4.9
211.11134	2.6
211.14798	7.9
213.12868	2.6
213.16393	3.8
215.14267	2.1
217.16000	3.0
219.11710	3.7
219.13783	3.8
221.13295	4.9
221.15323	47.8
222.15747	6.5
223.14772	10.8
224.15428	3.0
225.12737	2.5
225.16409	5.1
229.15904	2.5
233.13235	3.0
234.16147	7.3
235.11147	2.2
235.14650	3.9
237.12749	2.8
237.16345	4.5
239.17848	2.3
241.15909	3.7
247.14659	3.4
247.16924	9.0
251.17967	3.9
256.26242	2.2
259.14661	2.5
263.18024	4.0
271.16769	2.0
271.20599	2.2
274.19135	2.6
283.17334	1.9
283.20639	3.0
283.26086	2.6
285.18414	2.6
286.19183	3.5
287.20099	4.0
291.17783	1.8
295.20511	2.6
296.21170	2.5
299.20053	7.3
307.20273	2.0
311.20029	2.3
311.29395	3.5
325.21579	11.0
337.21628	5.0
352.23932	54.0
365.24765	11.2
378.25348	2.4
397.27377	2.9
398.27814	4.2
404.30530	3.3
411.28873	2.2
412.29749	13.2
425.30438	4.8
431.29391	2.1
438.31158	13.4
474.34280	2.2
489.33670	5.1
491.35068	12.2
492.35599	15.0
504.35907	100.0
505.36743	3.3
566.41144	5.1
569.39709	2.5
584.41986	38.0
584.55774	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	584.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.3
55.01839	1.6
55.05496	5.1
57.03401	2.4
57.07040	1.4
59.04996	0.5
59.27022	0.5
61.02890	1.7
67.05492	3.9
69.03419	8.6
69.07067	3.2
69.15049	0.6
69.46472	4.8
70.41084	0.6
71.04940	1.6
73.02886	1.7
79.05481	4.4
81.03404	3.2
81.07050	12.9
83.04970	16.0
83.08607	1.0
85.02895	25.5
91.03918	1.0
91.05460	4.0
93.07037	8.6
95.04964	4.2
95.08595	14.3
97.02892	6.2
97.06537	2.8
97.10133	2.1
98.21572	0.7
99.04434	0.8
101.02322	0.7
103.03857	0.5
105.07021	14.5
106.49422	0.6
107.04925	1.0
107.07870	0.9
107.08579	17.5
109.02850	5.8
109.06501	18.0
109.10142	4.4
111.08055	3.4
113.05936	1.0
117.06966	0.7
118.33329	0.5
119.04906	0.6
119.07788	0.9
119.08564	10.9
121.06464	2.0
121.10135	11.2
123.04397	1.3
123.07184	1.0
123.08051	18.4
123.11691	2.2
125.09579	1.3
127.03896	5.9
127.07540	1.9
131.03310	1.1
131.07043	0.8
131.08574	2.6
131.40207	0.6
133.06468	5.4
133.10104	4.0
135.08028	2.1
135.10658	1.1
135.11673	17.7
137.05936	0.9
137.09595	5.0
137.13239	1.7
139.03899	0.9
139.07523	2.0
141.09065	1.0
143.08549	0.9
145.04947	14.1
145.06178	0.8
145.10074	1.0
147.04396	0.6
147.08022	2.6
147.11658	9.0
149.09615	10.5
149.13289	1.1
151.07520	17.5
153.01836	3.7
156.09317	1.1
157.06465	0.9
159.08037	1.4
159.11713	2.9
161.09590	1.0
161.13242	12.3
163.05992	8.0
163.11150	2.5
165.09131	1.5
165.12721	1.7
167.06970	1.2
167.10666	6.0
169.08585	6.7
171.11665	2.2
173.05949	0.8
177.12752	10.7
178.20438	0.6
179.14285	3.6
187.07535	0.9
189.12715	11.9
195.13795	4.9
197.15416	0.7
207.13776	100.0
208.14137	1.7
209.08150	0.6
225.14827	83.8
226.15218	1.7
233.95638	0.6
243.95430	0.6
263.09116	5.6
264.09454	0.6
281.10214	3.7
302.19974	0.6
325.11166	3.2
353.11313	0.7
387.20087	1.4
423.14267	0.6
459.13837	1.9
534.58258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53042	0.1
53.03932	0.2
53.21346	0.1
55.01836	0.2
55.05501	0.3
57.03428	0.3
61.02888	0.3
65.03941	0.1
67.05498	0.5
69.03413	0.6
69.07064	0.4
69.46368	1.5
71.04971	0.2
78.04696	0.5
79.01926	0.1
79.05479	0.9
81.03413	0.9
81.07044	0.6
83.04970	0.3
85.02898	1.6
85.06530	0.3
91.05460	0.6
91.39228	0.1
93.07017	0.6
95.04956	0.6
95.08573	0.4
97.02876	0.8
97.06528	0.2
98.20781	0.3
102.03684	0.2
103.05446	0.3
105.07012	1.2
106.04162	0.6
107.04939	1.2
107.08596	0.4
109.02873	0.4
109.06540	0.2
109.10132	0.5
111.08034	0.2
112.56360	0.2
115.05450	0.3
117.06994	0.2
119.08535	0.5
121.06506	0.4
121.10096	0.3
122.03615	0.4
123.04417	2.1
124.05193	1.3
125.05904	0.2
127.03860	0.3
131.04887	0.3
133.06480	1.2
133.10098	0.3
135.08061	0.3
135.11665	0.1
137.05923	1.1
138.06224	0.3
145.04869	0.2
145.06490	0.2
147.11674	0.3
149.05949	0.7
149.09581	0.2
151.03854	0.9
151.07570	0.2
152.04674	0.8
153.01694	0.2
154.06253	0.2
155.00659	0.2
161.05959	1.3
163.07503	0.3
163.11177	0.2
165.05492	0.1
166.06229	0.2
167.07011	100.0
168.07324	0.9
173.05972	0.3
175.07532	0.2
178.06104	0.2
179.07013	0.4
181.04875	0.2
181.08586	0.9
191.06970	0.4
193.08569	5.4
195.10149	0.2
205.08594	0.4
207.06372	0.2
209.08080	0.2
211.09621	20.8
235.09441	0.3
239.09076	0.4
253.10835	0.2
256.78888	0.2
258.12256	0.2
266.46732	0.1
276.93036	0.2
295.11713	0.3
301.14377	0.2
319.11777	0.3
337.12653	0.2
402.72174	0.2
566.21051	0.2
584.30853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95667	1.7
53.03921	3.3
55.01868	2.9
55.05280	1.9
55.05500	15.5
57.07059	8.5
59.04983	2.3
60.01991	1.7
65.03941	2.2
67.05495	21.9
69.03404	3.3
69.07059	12.7
69.39581	15.1
79.05482	22.7
81.03403	7.8
81.07050	30.2
83.04974	8.9
83.08603	9.6
85.02903	2.7
85.06519	7.0
91.05470	29.0
93.06458	3.2
93.07030	39.0
95.04963	9.5
95.08592	29.2
97.06507	9.9
97.10137	4.2
99.04454	2.2
103.05471	1.9
105.07021	42.8
105.23219	1.5
105.23946	1.6
107.04946	3.1
107.08582	32.9
108.08893	1.7
109.06502	7.7
109.10143	20.0
110.51472	1.6
111.08083	3.1
113.09669	2.4
115.05418	3.4
116.06265	2.0
117.07005	12.5
119.08565	57.5
121.06521	4.6
121.10128	35.6
123.08077	10.7
123.11690	5.4
125.05991	2.1
125.09615	4.8
128.06189	4.4
129.06999	9.3
130.07794	3.4
131.08556	24.2
133.06512	3.7
133.10104	36.1
135.08012	8.1
135.11665	14.6
137.09613	7.3
139.11168	3.0
141.06984	5.1
142.07774	9.0
143.08563	20.7
144.09328	5.3
144.60725	1.6
145.06438	2.4
145.10098	38.9
147.08047	8.5
147.11653	15.7
149.09613	4.0
149.13223	3.6
151.07526	7.1
153.06912	4.5
153.09128	1.8
154.07750	2.5
155.08545	10.9
155.10594	2.9
156.09380	9.6
157.10114	36.0
158.10866	4.3
159.08049	4.2
159.11678	19.3
161.09612	5.1
161.13257	6.2
163.11200	5.6
165.07007	3.5
165.09074	11.6
167.08553	5.7
167.10657	4.9
168.09309	2.5
169.10109	16.0
170.10890	6.1
171.11646	18.6
173.09598	4.4
173.13235	17.4
175.11151	2.5
175.14815	8.6
177.12750	1.5
179.08556	5.1
179.14293	3.1
180.09320	2.2
181.10226	8.8
181.12134	9.9
182.10854	6.9
183.11652	16.9
185.13219	11.9
187.11192	2.7
187.14819	6.7
189.12756	4.1
190.41895	1.6
191.14386	5.4
193.10124	5.6
193.12305	2.6
193.15956	1.9
194.10904	6.2
195.11708	14.5
195.13486	2.3
196.12480	5.1
197.13245	16.1
199.14789	10.6
201.16354	5.5
203.14302	6.9
205.10114	2.2
206.10922	2.1
207.11673	9.9
207.13773	6.6
207.27106	1.6
207.87822	1.8
208.12466	3.5
209.13248	15.5
210.14021	2.8
211.11353	1.9
211.14867	8.6
213.16426	4.6
217.10207	2.4
217.15915	4.3
219.11501	3.0
219.17595	2.2
220.12463	4.4
221.13272	6.6
221.15388	25.8
222.13847	2.8
223.14714	10.1
225.12868	3.1
225.14880	4.9
225.16650	2.2
227.14485	2.4
231.11705	3.1
232.12259	1.8
233.13234	4.7
233.15390	6.5
234.13885	2.3
235.14832	7.2
237.16360	2.7
239.17821	1.7
245.13348	3.8
246.14085	2.5
247.14790	4.3
247.17052	2.6
249.16371	5.5
251.17960	5.7
257.19028	3.1
260.15643	2.0
261.16339	4.2
263.17911	3.6
265.19626	3.8
269.19083	2.4
275.18024	4.7
277.19479	3.6
283.20587	4.4
289.19461	2.0
295.20557	3.2
299.20380	1.8
303.20868	2.1
315.20883	1.9
331.24197	2.6
343.24313	2.9
349.25180	3.4
375.26813	3.2
377.24606	2.8
385.27692	2.6
399.29138	2.6
415.30121	4.8
425.30453	4.7
491.35104	64.4
492.34998	2.4
525.37427	1.7
542.34619	1.8
547.39667	2.3
565.40344	15.1
583.32086	3.5
583.41357	100.0
584.41760	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	583.4139
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
53.03927	1.4
55.05495	4.9
57.07064	5.3
65.03936	1.1
67.05502	7.9
69.03411	3.6
69.07050	4.3
69.66382	1.2
79.05486	6.6
81.07045	12.5
82.85538	1.2
83.04977	2.8
83.08614	3.7
85.06517	1.6
88.94953	1.1
91.05454	17.1
93.07024	20.4
95.04963	4.6
95.08590	17.8
97.06496	2.2
97.10166	1.2
105.07014	20.4
107.08575	13.8
109.06496	3.3
109.10119	7.6
111.08092	1.2
117.07003	5.2
119.08560	24.9
121.06496	2.8
121.10130	16.8
122.65854	1.1
123.08053	11.5
123.11699	2.0
123.22129	1.3
125.05972	1.8
128.06187	2.4
129.06985	5.2
130.07791	2.1
131.08524	10.0
133.06465	2.1
133.10104	13.3
135.08047	4.5
135.11684	5.5
137.09613	6.5
141.06924	2.0
142.07738	6.7
143.08560	12.3
144.09355	2.7
145.10104	19.0
147.08006	10.9
147.11658	5.5
149.09558	3.3
149.13228	1.4
151.07518	13.7
151.11168	1.3
154.07748	1.8
155.08536	5.4
156.09331	6.2
157.10117	18.0
158.10835	1.7
159.11665	10.9
161.09561	1.6
161.13295	2.4
163.11200	2.5
165.06967	2.2
165.09094	26.0
167.08536	3.5
167.10707	2.2
168.09395	2.5
169.10080	8.4
170.10872	3.1
171.11649	10.5
172.12549	1.5
173.13231	6.2
175.14742	3.7
177.09149	1.2
179.08595	2.9
181.10089	6.0
181.12206	1.6
182.10866	3.2
183.11647	7.5
185.09654	1.3
185.13220	9.2
187.11111	2.9
187.14828	3.6
189.12766	5.3
191.14323	1.8
192.09436	1.4
193.10132	4.8
194.10899	3.4
195.11658	8.9
196.12474	2.3
197.09473	1.1
197.13283	8.0
199.14806	1.3
203.14261	9.9
206.10855	2.3
207.11729	5.2
207.13858	4.9
208.12436	3.2
209.13211	9.8
211.14815	4.5
213.16386	1.9
215.14233	1.3
217.16011	1.5
219.11714	1.5
219.17422	2.5
221.13242	5.9
221.15305	39.6
223.14847	5.3
225.16360	2.8
231.11664	2.0
231.13849	1.3
231.17450	2.3
233.13237	2.8
234.14037	1.5
235.14832	2.8
237.16371	3.4
239.17926	2.0
245.13206	1.5
246.14124	1.5
246.22896	1.2
247.14789	2.3
249.16357	2.1
257.19110	2.3
259.14944	1.6
261.16327	2.8
263.17868	2.1
265.19559	2.0
269.19067	2.1
273.16263	1.4
275.17990	1.5
277.19385	2.5
279.21045	2.1
281.19040	1.5
283.20386	2.9
284.42395	1.4
295.20541	2.0
297.22198	3.9
299.20142	2.1
307.20480	1.4
329.22519	1.4
331.24524	1.2
348.24936	1.3
349.25299	2.2
352.23666	1.6
357.25647	1.6
361.46075	1.2
365.24622	1.6
375.26761	4.1
376.12961	1.2
403.29849	6.6
491.35248	3.5
503.34769	3.6
547.39551	2.9
565.40387	25.5
583.41351	100.0
584.41699	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	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.8
55.01853	4.9
55.05262	2.6
55.05507	40.2
57.07063	9.7
59.04987	2.9
65.03923	5.0
66.32117	2.7
67.05496	41.1
69.03412	11.3
69.07059	28.4
69.59666	21.9
71.04978	5.2
79.05489	40.5
81.03398	9.0
81.07050	50.9
83.04961	10.3
83.08609	35.1
85.02905	4.1
85.06544	10.4
91.05471	53.0
93.07035	60.6
95.04955	17.9
95.08597	39.5
95.27865	3.0
97.06533	18.1
97.10134	6.4
99.04435	8.3
99.08039	3.7
103.05463	3.8
105.07021	84.7
106.07302	3.5
107.04966	4.1
107.08581	74.3
109.06506	20.8
109.10135	45.5
109.46813	2.5
111.08102	4.7
113.09618	10.2
115.05442	6.4
117.07021	15.2
119.08566	100.0
121.06466	5.8
121.09295	5.4
121.10128	72.3
123.08070	23.5
123.11693	12.2
125.05957	5.0
125.09621	13.8
128.06206	17.4
129.06984	20.4
130.07767	5.4
131.08551	41.1
133.06453	3.6
133.10115	54.7
135.08047	7.0
135.11684	22.3
137.09570	11.2
139.11179	8.3
141.06947	7.2
142.07767	23.5
143.08546	52.2
144.09286	7.8
145.06479	4.9
145.10107	70.0
147.08055	6.9
147.11649	28.1
149.09622	17.0
149.13263	6.7
151.07541	6.2
153.06926	3.1
154.07785	4.6
155.08546	21.6
155.10669	11.0
156.09326	20.5
156.10556	2.5
157.10117	74.0
157.11424	3.6
158.07339	3.2
158.10843	11.4
159.08075	2.8
159.11685	32.5
161.09579	5.4
161.13269	7.3
163.11151	7.9
163.14778	3.3
165.06979	9.3
165.09120	10.8
165.12659	4.1
166.07710	5.7
167.08566	13.3
167.10652	21.1
168.09325	9.7
169.10123	38.1
170.10902	10.6
171.08110	2.7
171.10246	4.7
171.11659	33.2
173.09637	3.2
173.13264	32.8
175.11197	4.0
175.14841	13.1
178.07684	3.0
179.08556	17.0
179.14352	8.1
180.09341	7.8
181.10101	21.5
181.12137	17.7
182.09421	3.0
182.10834	13.2
183.11667	33.0
183.13774	9.0
184.12447	5.1
185.13246	26.5
187.11153	3.1
187.14838	11.0
187.27449	2.5
189.11194	3.6
189.12790	3.9
191.08591	2.8
191.14307	9.2
192.09290	9.9
193.10123	21.3
193.11703	3.0
194.10800	15.6
195.11716	32.9
195.13690	5.2
196.12430	7.7
197.13246	34.5
199.14835	19.6
201.12755	2.9
201.16473	6.3
205.10132	6.2
206.10899	10.6
207.11655	27.1
207.13625	4.7
208.12331	10.3
209.13258	34.4
210.13911	4.6
211.14867	19.5
213.12912	4.3
213.16422	7.3
215.08559	3.0
215.14438	3.8
217.10129	4.8
217.15874	10.1
218.10883	7.3
219.11624	11.6
220.12347	6.2
221.13208	22.7
221.15370	32.3
222.13876	6.3
223.14790	11.3
225.14726	43.4
229.10072	3.2
230.10812	3.8
231.11671	7.7
232.12437	5.4
233.13191	14.5
233.15388	13.7
234.13953	6.1
235.14819	22.8
236.15222	3.7
237.16435	13.2
239.17882	5.8
243.11681	6.1
244.12544	5.3
245.13193	11.8
246.13908	8.0
247.14751	16.4
247.16975	5.5
248.15453	5.6
249.16454	15.4
250.16809	4.2
251.17987	10.0
253.19693	3.7
255.17439	2.9
256.12451	2.9
257.13083	5.8
257.18997	6.7
258.14102	4.8
259.14792	9.8
260.15540	6.8
261.16235	10.4
262.17078	6.1
263.17914	12.0
264.18527	5.4
265.19357	10.6
271.14664	6.8
272.15411	3.0
273.16275	7.2
274.17163	4.0
275.17868	11.2
277.19400	15.9
281.19009	3.0
282.13983	3.4
283.20523	11.4
285.16241	3.9
287.17801	6.5
289.19592	7.2
290.99548	3.0
291.21014	4.5
293.18903	3.1
297.16159	3.7
301.19052	4.8
303.21149	4.2
313.19409	3.8
315.21039	4.4
317.22443	5.1
319.24210	3.6
327.21225	4.5
329.22534	5.4
330.22879	2.8
331.24203	7.1
341.22522	5.9
343.24161	8.0
345.25806	5.0
349.25146	5.8
357.25436	4.8
397.28815	13.5
483.35678	3.6
491.34961	4.8
522.83923	3.2
565.40240	40.7
583.32471	3.5
583.41479	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	583.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
54.88823	1.2
55.05500	12.4
57.07074	8.0
59.04988	2.6
65.03933	2.5
67.05494	20.4
67.05829	2.1
69.03422	4.9
69.07053	17.3
69.67233	1.3
71.09332	2.9
71.09696	1.9
73.97910	1.1
79.05482	22.5
79.05907	2.5
80.51083	1.4
81.07048	30.2
83.04968	6.3
83.08612	9.9
85.06527	5.2
85.42299	1.5
89.39030	1.3
91.05467	35.5
93.07030	51.2
95.04962	9.5
95.08595	29.5
95.95566	1.5
97.06514	4.4
99.85245	1.2
103.05474	2.1
105.07018	59.1
107.08585	41.3
107.09155	0.9
109.06519	9.4
109.10139	20.6
111.08088	2.3
112.31114	1.4
113.09717	1.7
115.05451	5.0
116.06220	1.9
117.07001	13.2
119.08566	65.9
121.06518	4.7
121.10123	45.5
123.08054	14.7
123.11701	5.4
125.05988	2.6
125.09603	4.8
128.06195	10.9
129.06970	15.1
130.07776	5.8
131.08545	27.7
133.10107	35.2
133.11072	2.3
135.08069	7.5
135.11673	12.4
137.09599	8.4
139.11151	3.6
141.07004	5.9
142.07750	18.6
143.08545	33.8
144.09326	5.5
145.10103	43.7
147.08012	11.5
147.11665	16.0
149.09615	8.9
149.13275	2.2
151.07494	10.7
151.11147	2.4
153.06963	4.2
154.07800	3.6
155.08560	12.9
155.10629	3.0
156.09335	15.9
157.10107	47.4
158.10909	6.5
159.08040	4.7
159.11671	25.9
160.12154	1.9
161.09583	5.3
161.13289	7.9
163.11171	7.4
163.14777	1.4
165.06982	4.9
165.09108	15.0
166.07797	2.8
167.08575	9.4
167.10658	33.0
168.09341	7.0
169.10104	25.4
170.10858	7.1
171.11673	26.0
172.12267	1.2
173.09569	4.2
173.13228	21.5
174.10426	1.5
174.13577	1.4
175.11176	3.5
175.14847	8.7
178.07857	1.2
179.08522	10.5
180.09277	4.0
181.10117	15.0
181.12254	4.9
182.10875	9.9
183.11667	19.2
184.12463	7.0
185.13216	16.5
187.11215	2.9
187.14832	7.4
189.12761	6.0
189.16466	1.4
191.08662	1.4
191.14253	7.4
192.09369	5.7
193.10126	11.0
194.10817	8.8
195.11658	19.8
195.13452	2.4
196.12500	5.0
197.13252	19.6
198.13896	2.7
199.11137	2.5
199.14796	14.4
201.16386	4.4
201.21840	1.3
203.14311	6.7
205.10110	3.6
206.10925	4.7
207.11699	17.8
207.13783	6.0
208.12460	5.9
209.13257	22.8
209.15161	1.7
210.13966	3.6
211.14798	9.4
213.12726	2.5
213.16353	2.7
215.14351	3.4
217.10339	1.7
217.15894	5.5
218.10890	3.2
219.11626	6.9
219.17378	1.8
220.12442	4.9
221.13228	16.0
221.15396	26.0
222.13939	4.6
223.14798	12.8
224.15440	2.6
225.12779	1.4
225.16374	5.7
227.14377	4.0
230.10876	2.1
231.11656	5.8
232.12428	4.6
233.13206	7.4
233.15390	9.5
234.14000	3.8
235.14766	9.7
236.15520	2.9
237.12715	1.7
237.16348	7.9
239.14168	1.5
239.18005	4.4
241.15764	1.6
243.11664	2.6
244.12689	1.7
245.13292	5.5
246.13979	3.2
247.14806	10.2
247.16876	2.9
248.15532	2.5
249.16364	8.7
250.17065	1.4
251.14182	1.8
251.17992	5.7
253.19498	3.2
255.17421	3.0
257.13214	3.3
257.19019	5.5
258.13928	2.0
259.14807	5.2
260.15665	3.7
261.16287	7.7
262.17029	2.8
263.17935	7.9
265.19418	6.2
267.17496	1.7
269.19006	5.3
271.14700	1.5
271.20447	2.4
272.15387	1.3
273.16348	4.0
274.17200	3.2
274.31351	1.4
275.17883	7.8
277.15695	1.3
277.19547	5.0
279.17349	2.7
279.21048	1.9
281.19135	3.1
283.20529	11.3
285.16180	1.9
287.17880	2.4
288.19046	1.4
289.19431	2.4
291.20978	2.1
293.19086	2.4
295.20590	3.0
297.22089	1.5
299.20273	2.1
300.20795	1.4
301.19400	1.8
303.20987	3.0
305.18942	1.6
315.21140	3.0
317.22580	2.5
321.22208	1.6
323.17874	1.7
324.88306	1.5
327.21182	1.6
329.22653	1.9
331.24164	4.5
333.22076	1.9
335.24072	1.8
345.22141	1.6
347.23892	2.5
349.25189	6.4
352.23758	1.5
361.25180	3.0
373.25150	1.7
375.26804	4.3
403.30005	4.8
415.29688	1.5
491.34821	1.7
509.33975	2.0
529.38623	1.8
547.39392	3.2
565.40350	20.0
583.41364	100.0
584.42010	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	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58893	1.1
52.93671	1.1
53.03931	2.4
55.05499	12.6
57.07074	7.5
59.04996	3.3
60.90305	1.2
65.03924	2.2
67.05492	17.0
69.03413	4.7
69.07054	16.4
70.94480	1.2
71.09466	2.8
72.23538	1.3
79.05474	19.2
81.07037	26.4
83.04964	5.6
83.08598	9.4
85.06519	5.6
91.05460	29.4
93.07027	45.2
95.04957	6.7
95.08590	30.7
95.99422	1.1
97.06509	4.4
103.05457	3.4
105.07011	51.6
107.08572	42.2
109.06518	6.8
109.10133	19.8
111.08059	3.6
115.05456	3.6
116.06210	1.3
117.07006	12.8
119.08559	70.4
121.06519	3.2
121.10115	37.6
123.08049	12.1
123.11700	5.3
125.05967	3.5
125.09583	2.6
127.05472	1.1
128.06178	7.9
129.06987	12.1
130.07765	3.8
130.74747	1.2
131.08542	26.7
133.06500	2.7
133.10109	34.1
135.08060	6.9
135.11678	12.1
137.09605	11.1
137.91322	1.1
139.11197	2.6
141.06970	4.6
142.07733	18.6
143.08531	32.1
144.09358	5.9
145.10095	42.9
147.08006	16.1
147.11665	16.2
149.09560	6.1
149.13246	3.8
151.07513	12.8
153.06924	1.5
153.09116	1.1
154.07736	1.6
155.08524	14.4
156.09317	16.6
157.10103	50.8
158.10909	9.1
159.08051	3.8
159.11659	23.7
161.09587	5.6
161.13316	5.5
163.11142	9.6
165.06966	4.7
165.09090	28.2
166.07829	2.1
167.08562	5.8
167.10634	13.0
168.09312	9.2
169.10083	25.2
170.10849	6.8
171.11661	32.0
172.12234	1.5
173.09613	2.7
173.13234	23.0
175.11194	4.3
175.14804	8.7
178.07707	1.4
179.08522	11.4
180.09332	4.9
181.10106	16.2
181.12170	8.7
182.10854	7.5
183.11658	27.0
184.12439	6.2
185.13246	17.1
186.13997	1.4
187.11188	1.6
187.14755	8.0
189.12743	6.0
189.16554	1.9
191.14249	10.2
192.09352	3.8
193.10065	10.8
194.10860	9.7
195.11641	18.3
195.13441	1.7
196.12454	4.0
197.09625	1.4
197.13225	20.5
198.13950	2.2
199.11240	2.0
199.14784	17.9
201.12645	2.8
201.16284	3.0
203.14270	12.0
205.10141	3.2
205.15863	1.6
206.10867	5.7
207.11665	14.0
207.13751	6.6
208.12459	6.7
209.13254	27.6
209.15271	3.6
210.14018	3.9
211.11203	2.4
211.14790	11.4
213.12730	2.7
213.16367	4.8
215.14297	2.3
215.17973	1.5
215.89223	1.4
217.10193	2.7
217.15823	8.0
218.10960	2.4
219.11626	6.0
219.17484	1.9
220.12462	4.5
221.13228	14.0
221.15376	57.8
222.13951	4.4
223.14764	13.6
224.15588	2.0
225.16338	5.9
227.14325	2.7
229.15916	1.3
230.10965	1.6
230.13226	1.5
231.11656	3.9
231.17418	2.4
232.12473	3.5
233.13225	9.7
233.15381	5.8
234.14018	3.9
235.14754	10.2
235.16599	1.1
236.15526	2.4
237.16304	7.8
238.17278	1.6
239.17964	4.4
241.15730	2.2
243.11742	1.6
243.17476	2.1
244.12479	1.2
245.13148	7.2
246.13994	5.3
247.14676	9.4
247.16925	1.3
248.15588	3.5
249.16347	9.0
250.17148	2.4
251.17975	5.4
253.19484	2.1
255.11551	1.6
255.17369	2.2
257.13165	1.8
257.19025	7.9
258.14093	1.5
259.14621	6.1
260.15607	3.6
261.16299	11.4
263.17865	7.7
265.19427	7.3
269.18909	3.0
270.14011	1.4
271.14755	1.7
271.20578	1.6
272.15448	2.4
273.16376	5.5
274.17188	2.0
275.17834	11.5
276.18463	1.8
277.19489	4.1
279.17389	2.2
279.21228	1.5
281.18900	1.9
283.20523	15.6
285.16119	1.6
285.18954	1.5
287.17578	2.7
287.20343	2.4
288.18729	1.5
289.19553	4.8
290.19916	1.4
291.20959	2.3
293.18866	1.9
295.20551	2.8
297.16330	2.1
297.21933	2.7
299.20276	1.8
300.20959	2.9
301.19186	2.7
303.21075	2.9
307.20612	2.2
313.19214	1.8
315.20944	1.7
317.22083	1.7
319.20685	1.7
321.22232	1.4
329.22620	1.6
331.24182	7.3
335.23849	2.3
347.23828	3.1
349.25040	7.1
351.23090	1.5
357.25909	2.8
365.24707	4.3
373.25006	1.5
375.26852	7.0
401.28516	1.6
403.30057	4.8
423.28784	1.3
473.34067	1.4
491.35126	6.6
503.35236	4.6
547.39337	4.4
565.40320	19.1
583.41364	100.0
584.41791	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
54.45882	1.7
55.05505	15.3
57.07064	9.2
59.04985	2.8
65.03916	3.6
67.05496	24.8
69.03410	7.5
69.07054	17.9
69.40817	5.0
69.41240	13.8
77.03885	2.3
79.05477	26.4
80.78934	1.8
81.07038	33.4
83.04995	8.7
83.08606	9.5
85.06538	9.7
91.05463	42.2
93.07027	52.5
95.04956	12.4
95.08586	36.3
97.06494	5.4
97.10133	2.9
103.05440	5.0
105.07014	71.4
107.08581	44.5
109.06505	11.5
109.10135	22.3
111.08049	2.9
115.05434	5.2
116.06211	3.7
117.07020	18.1
119.08564	83.1
119.18092	1.8
121.06487	3.9
121.10123	51.5
123.08040	19.0
123.11688	4.3
125.05987	4.8
125.09637	3.1
128.06244	11.2
129.06979	19.9
130.07790	6.9
131.08540	35.8
133.06488	3.6
133.10092	37.0
135.08072	7.5
135.11688	10.5
137.09616	11.0
139.11168	2.5
141.06993	10.0
142.07773	24.3
143.08536	42.3
144.09319	9.5
145.10098	58.2
147.08031	14.0
147.11685	15.0
149.09595	6.1
149.13243	4.2
151.07530	13.0
153.06970	7.1
154.07713	2.4
155.08537	17.9
156.09340	16.5
157.10094	58.4
158.10887	7.2
159.08067	5.2
159.11665	25.8
159.12865	2.9
161.09631	7.8
161.13196	9.1
163.11160	5.9
164.82547	2.1
165.05736	2.0
165.06973	9.2
165.09100	31.8
166.07759	4.9
167.08560	12.9
167.10625	15.1
168.09340	6.6
169.10092	32.5
170.10886	8.0
171.11653	30.8
173.09601	4.8
173.11806	1.6
173.13213	28.7
175.11302	2.3
175.14777	8.8
178.07770	2.7
178.66962	2.2
179.08514	14.1
180.09363	4.9
181.10115	17.7
181.12206	6.9
182.10883	6.0
183.11668	32.0
184.12408	7.2
185.09633	2.1
185.13257	16.2
187.11241	3.9
187.14833	7.8
189.12714	5.5
191.08556	3.0
191.14290	8.4
192.09305	5.5
193.10106	17.5
194.10858	10.4
195.11676	19.7
196.12450	6.2
197.13268	20.5
199.14767	19.0
201.16386	2.4
203.14253	15.0
205.10115	5.3
205.15906	2.6
206.10907	8.9
207.11703	23.7
207.13802	9.1
208.12469	8.7
209.13211	30.3
209.15079	3.5
210.13950	3.9
211.14774	11.4
212.15591	2.3
213.12830	4.2
213.16270	4.2
215.14275	3.7
217.10185	3.9
217.15878	10.4
218.10864	4.4
219.11694	5.9
220.12444	7.0
221.13225	18.9
221.15379	55.0
222.13940	2.7
223.14737	17.6
223.16293	1.7
224.15561	3.0
225.16365	6.7
227.14301	4.4
230.10902	2.1
231.11734	7.5
231.17342	3.3
232.12474	5.2
233.13193	9.6
233.15401	6.5
234.14116	4.5
235.14827	12.0
236.15469	2.7
237.12749	2.5
237.16383	8.3
237.77365	2.1
239.14342	2.3
239.17911	5.4
243.11664	2.8
245.13315	12.8
246.14006	4.5
247.14796	11.1
247.17021	2.4
248.15569	4.3
249.16301	11.6
251.18060	5.4
253.19511	2.3
255.17331	3.0
257.13239	3.7
257.19067	8.3
258.14075	2.6
259.14804	7.4
260.15619	5.9
261.16437	7.8
262.17184	2.0
263.17941	8.2
265.19592	8.6
269.19095	3.6
271.14874	2.8
271.20303	2.7
273.16382	7.5
275.17892	12.7
276.18710	2.6
277.19635	4.9
283.20520	25.3
285.16238	2.3
289.19611	4.9
295.20670	5.0
297.22153	2.9
299.20370	2.4
300.20938	2.8
307.20547	4.0
309.22122	2.9
331.24219	6.5
335.23828	3.2
347.23770	3.5
349.25293	6.0
352.23666	2.1
361.25327	2.8
365.24557	2.5
373.25317	2.6
375.26797	5.9
399.26453	2.0
403.29965	5.7
404.15875	1.9
491.34891	8.2
503.35138	4.1
547.39307	5.1
565.40308	25.1
583.41388	100.0
584.41650	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	583.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.05502	12.4
57.07071	9.1
59.04979	3.9
65.03935	2.7
65.61337	1.1
67.05499	19.2
69.03417	7.5
69.07059	15.3
69.30803	8.8
69.31212	1.5
77.88330	0.9
79.05477	20.1
81.03406	1.5
81.06570	1.8
81.07042	27.5
83.04968	4.3
83.08604	8.4
85.06548	6.8
91.05468	33.3
92.34579	0.9
93.07030	44.9
93.07621	2.2
94.04842	0.9
95.04955	10.0
95.08598	31.4
97.06513	5.9
97.10135	0.9
98.21439	2.0
102.79490	0.9
103.05463	3.2
105.07016	59.7
107.04964	1.2
107.08579	35.1
109.06497	8.8
109.10133	14.8
111.08066	3.0
115.05434	3.7
116.06229	1.3
116.86786	1.1
117.07002	13.6
119.08567	63.6
120.08891	1.4
121.06515	3.7
121.10127	38.9
122.10464	1.5
123.08059	13.6
123.11684	5.5
125.05979	2.6
125.09616	2.3
128.06200	8.8
129.06982	14.0
130.07768	4.9
131.08548	25.8
133.06493	2.3
133.10109	32.8
135.08046	8.9
135.11665	12.8
137.09599	12.1
139.11166	2.2
141.06967	5.8
142.07762	21.8
143.08548	32.8
144.09329	6.5
145.06454	1.4
145.10107	40.9
146.10593	1.1
147.08047	16.6
147.11658	11.8
149.09622	6.2
149.13269	3.2
151.07518	13.6
151.11165	1.4
153.07019	4.3
153.09114	1.0
154.07764	2.0
155.08530	11.7
155.10544	1.3
156.09332	17.9
157.10109	43.7
158.10860	6.7
159.08054	3.3
159.11671	22.9
161.09630	5.4
161.13219	6.5
163.11157	7.6
165.07027	5.8
165.09093	29.1
166.07761	2.6
167.08540	8.5
167.10651	11.1
168.09306	6.9
169.10097	23.6
170.10881	9.4
171.08105	1.1
171.11673	25.6
172.12444	2.9
173.09592	3.3
173.13251	18.6
175.11205	3.6
175.14792	6.7
177.09134	1.1
177.12749	1.5
178.07848	1.2
179.08545	11.7
180.09308	5.1
181.10100	12.9
181.12114	6.3
182.10905	8.5
183.11674	22.2
184.12465	5.0
185.13239	15.5
186.13786	1.8
187.11145	2.9
187.14795	6.9
189.12723	5.9
191.08598	2.6
191.14270	8.5
192.09314	5.3
193.10098	13.6
194.10880	10.6
195.11664	19.7
195.13396	1.5
196.12401	6.5
197.13252	19.2
198.13858	1.7
199.11150	2.5
199.14801	12.3
201.12744	1.9
201.16379	1.7
203.08563	1.4
203.14282	13.7
205.10005	4.8
205.15904	1.7
206.10869	6.5
207.11676	15.5
207.13791	6.2
208.12473	6.5
209.13237	24.0
209.15065	1.1
210.14017	3.9
211.11287	2.3
211.14809	9.5
213.12709	2.5
213.16344	3.4
215.14288	2.3
217.10083	3.2
217.15866	7.9
218.10916	2.1
219.11740	4.9
220.12343	6.8
221.13246	14.5
221.15390	53.2
222.13913	3.8
222.15848	1.7
223.14780	12.2
224.15395	1.7
225.16357	6.3
227.14366	2.9
229.15987	1.8
231.11694	4.2
231.17435	3.1
232.12447	4.4
233.13242	7.4
233.15413	3.9
234.14037	2.7
235.14766	10.3
235.16870	1.2
236.15498	3.3
237.16402	5.2
239.14288	1.2
239.17960	3.8
241.15910	2.0
241.19565	1.6
243.11630	2.7
244.12524	2.5
245.13176	6.5
245.15367	1.1
246.14009	4.6
247.14758	7.9
247.16806	1.3
248.15582	2.6
249.16336	9.9
250.17090	2.0
251.14438	1.0
251.17972	3.9
253.19493	2.2
255.17438	2.2
257.13239	1.7
257.18967	7.3
258.13858	1.3
259.14734	3.5
260.15570	3.9
261.16318	8.4
262.17130	2.1
263.17987	5.0
265.15894	0.9
265.19498	6.2
267.17426	2.0
269.19022	3.5
270.13968	1.7
271.14798	2.7
271.20483	1.8
272.15518	1.4
273.16434	4.0
274.17142	2.9
275.17834	11.2
276.18658	1.5
277.19415	3.6
279.17566	1.2
279.21112	2.1
281.19019	2.6
283.15237	1.2
283.20547	12.1
285.16345	2.1
286.19391	1.5
287.17566	2.1
287.20187	3.1
288.18613	1.1
289.19522	2.8
290.20120	1.3
291.20996	1.7
293.19000	2.1
295.20605	3.8
297.16238	1.5
297.22034	4.5
299.17609	1.8
300.21048	1.7
301.19199	1.9
301.22113	1.1
303.21155	1.6
307.20673	1.3
312.21182	1.0
313.21783	1.3
315.20990	2.2
317.22537	2.2
321.22122	2.0
329.22473	1.1
331.24088	5.6
333.22156	1.8
335.23651	1.1
341.22864	1.0
347.23517	2.0
348.24536	1.2
349.25229	8.3
352.23853	1.4
357.25812	2.1
359.23465	1.3
361.25302	2.0
365.24643	2.8
371.28238	1.2
375.26871	6.2
379.26245	1.3
385.29028	1.4
403.29880	4.7
491.34875	4.2
503.35132	3.7
509.33960	2.5
547.39050	1.6
565.40381	19.4
566.40869	2.3
583.41376	100.0
584.41711	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	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
55.01845	3.6
55.05505	22.1
57.07056	12.9
59.04982	4.7
65.03922	5.0
67.05499	31.9
69.03416	9.1
69.07054	26.2
69.36080	29.5
77.03916	3.4
79.05476	30.5
81.07043	41.6
83.04964	8.6
83.08600	10.7
85.06537	6.1
90.98693	3.1
91.05469	48.4
93.07026	67.4
95.04958	16.4
95.08599	40.4
97.06504	7.3
98.95386	3.0
103.05416	5.7
105.07014	77.4
107.08578	55.1
109.06519	12.0
109.10140	26.5
112.01974	2.5
115.05439	6.4
116.06264	3.9
117.06972	21.2
119.08566	97.6
121.06522	3.9
121.10131	62.6
123.08071	12.1
123.11664	8.3
125.05974	4.3
125.09636	7.2
128.06175	13.9
129.06982	17.5
130.07770	5.9
131.08536	35.4
132.80241	2.9
133.10115	47.5
135.08044	9.6
135.11641	19.4
137.09595	10.2
141.06989	4.5
142.07730	23.8
143.08539	41.6
144.09311	9.1
145.06451	3.5
145.10115	54.1
147.08047	9.8
147.11668	18.8
149.09641	11.5
149.13222	5.7
151.07504	10.8
151.11194	5.4
153.07007	4.7
155.08559	20.0
156.09329	20.4
157.10115	58.1
158.10880	11.8
159.08057	8.9
159.11688	34.5
161.09628	5.6
161.13235	11.1
163.11191	5.3
165.06947	7.6
165.09113	13.8
165.12712	3.8
167.08502	9.1
167.10641	45.9
168.09305	9.1
169.10089	31.0
170.10938	9.6
171.11644	34.2
173.09666	3.2
173.13231	26.4
175.11269	4.7
175.14838	13.5
177.12718	3.4
179.08545	11.9
180.09276	9.4
181.10109	16.8
181.12279	6.6
182.10889	7.7
183.11688	25.6
184.12498	5.1
185.13185	16.6
187.11211	5.2
187.14807	11.2
189.12688	5.9
191.08578	3.5
191.14365	6.6
192.09280	4.9
193.10051	15.1
194.10928	11.4
195.11665	22.3
196.12451	5.9
197.13234	24.5
199.14842	19.6
201.16377	3.8
203.14244	8.1
205.10143	5.0
205.15895	4.0
206.10913	8.0
207.11743	17.4
207.13614	4.8
208.12431	7.0
209.13242	29.9
211.11060	3.8
211.14832	12.7
213.16336	4.8
215.14331	3.5
217.10129	3.5
217.15921	14.5
219.11673	8.0
220.12520	8.6
221.13246	14.8
221.15375	26.0
222.14008	6.2
223.14865	12.7
225.12717	4.7
225.16365	6.4
227.14316	4.8
231.11656	4.1
232.12305	3.8
233.13222	8.5
233.15376	9.5
234.14084	4.2
235.14874	13.0
237.16376	7.7
239.17937	7.3
245.13313	8.5
246.14037	7.1
247.14830	9.8
247.17152	4.3
249.16356	10.1
251.18094	4.1
253.19440	3.4
257.18970	4.4
259.14822	5.9
260.15784	3.3
261.16348	10.8
262.17053	3.6
263.17911	9.2
265.19434	4.5
273.16220	4.1
275.17935	6.6
277.19434	4.9
279.17450	3.3
279.21008	3.4
283.20566	14.3
287.17661	4.8
289.19431	5.8
294.33679	3.0
295.20691	5.1
301.19403	3.9
317.22617	3.3
331.23978	3.7
347.23697	3.3
349.25278	5.6
357.26453	3.6
366.25992	3.7
375.26489	4.1
377.24319	3.6
491.35248	6.1
547.39142	4.9
565.40314	23.2
583.41394	100.0
584.42340	4.4
588.05035	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.9
53.03923	3.4
55.05506	18.2
57.03439	2.6
57.07062	10.1
59.05002	4.9
59.06325	1.8
65.03919	5.4
66.37213	1.6
67.05491	28.4
69.03423	7.4
69.07062	24.2
70.35017	8.0
71.04997	3.1
76.26180	2.1
77.03928	2.4
79.05474	25.3
81.03400	5.1
81.07043	44.2
81.07507	2.6
83.04975	6.8
83.08611	14.5
85.06548	7.7
91.05468	50.7
93.07028	70.0
95.04958	12.8
95.08596	42.0
97.06532	7.7
97.10146	3.9
103.05476	4.5
105.07011	76.2
107.04941	2.6
107.08578	61.2
109.06484	12.4
109.10136	27.7
111.08093	3.5
111.11734	2.2
112.71085	1.9
113.09629	2.1
115.05481	5.5
116.06226	2.9
117.06988	22.5
119.04883	2.9
119.08564	90.9
121.06496	5.9
121.10126	74.9
123.08028	16.0
123.11673	12.2
125.06015	3.5
125.09623	8.6
128.06209	12.8
129.06975	16.8
130.07794	8.7
131.08542	34.3
133.06517	2.8
133.10106	53.0
133.11044	3.2
134.16855	1.9
135.08023	9.2
135.11667	24.2
137.05855	2.4
137.09605	15.0
139.11177	8.0
141.07004	7.8
142.07771	19.9
143.08537	39.0
144.09308	5.9
145.06441	3.9
145.10101	66.2
147.08035	10.6
147.11659	21.0
149.09596	11.3
149.13255	4.2
151.07538	7.3
151.11185	3.0
153.07013	5.9
154.07753	4.4
155.08537	17.0
155.10640	4.5
156.09334	15.7
157.10117	55.7
158.10880	7.7
159.08093	5.1
159.11655	35.6
160.78108	2.0
161.09627	7.0
161.13177	9.3
163.11212	9.7
165.07024	6.1
165.09091	15.7
166.07738	3.0
167.08568	11.2
167.10648	72.3
168.09422	3.9
169.10092	31.7
170.10913	8.2
171.11656	31.9
172.12343	2.2
173.09575	6.6
173.13222	31.7
175.11246	5.8
175.14825	15.5
179.08516	12.5
179.14297	3.0
180.09348	7.8
181.10077	18.0
181.12234	5.8
182.10881	9.3
183.11650	29.6
184.12491	6.2
185.09566	3.5
185.13280	17.0
187.11200	3.0
187.14809	12.2
189.12752	6.5
191.14331	7.9
192.09332	2.7
193.10123	15.6
194.01712	1.8
194.10887	11.0
195.11662	22.6
195.13464	3.1
196.12518	6.2
197.13225	23.5
198.13933	2.8
199.11093	2.1
199.14813	15.8
201.12721	2.5
201.16418	6.5
203.14322	7.1
205.10197	6.3
205.15927	2.9
206.10791	9.6
207.11726	16.0
207.13741	4.5
208.12463	7.0
209.13251	30.0
209.15276	3.5
210.13968	4.9
211.14781	14.2
213.12737	4.7
213.16402	6.4
215.14452	3.2
217.10170	3.2
217.15897	8.8
218.10875	3.6
219.11708	7.1
219.17435	5.3
220.12511	6.8
221.13235	15.3
221.15398	30.7
222.13965	5.5
223.11263	2.4
223.14720	16.3
224.15471	2.6
225.12746	2.4
225.16475	8.0
227.14436	2.4
227.17934	2.9
229.10199	2.1
229.16080	2.5
231.11772	6.4
232.12384	3.6
233.13171	10.2
233.15434	18.2
234.13922	3.1
235.14815	14.4
237.12827	2.0
237.16429	7.8
239.17986	5.5
243.11719	2.5
243.17487	3.2
245.13254	5.3
246.13980	5.5
247.14771	10.9
247.17087	2.7
248.15561	2.2
249.16444	8.3
251.18008	5.3
253.19617	2.4
255.11703	2.2
257.13351	4.0
257.19058	7.4
258.14044	3.2
259.14865	5.4
260.15674	3.4
261.16370	10.4
262.17090	2.9
263.17896	7.2
265.19528	8.7
269.18973	4.2
272.15652	3.5
273.16229	3.2
273.18835	3.2
275.17871	10.5
277.19608	5.8
281.19064	3.4
283.14941	2.2
283.20557	14.6
285.18719	3.1
287.17938	3.5
289.19470	6.3
295.20599	3.0
297.22116	2.1
299.20273	3.9
301.19278	3.4
305.19138	2.7
311.20178	7.2
315.21042	3.1
331.20511	2.2
331.24237	5.4
339.28979	2.6
349.25146	4.8
351.23218	2.2
361.25211	3.2
375.26852	3.3
377.24664	3.0
401.28214	2.6
403.29956	2.3
427.29721	2.6
443.29575	2.0
452.39963	2.0
491.35239	14.9
503.34668	3.2
506.34714	2.9
547.39136	4.3
565.40186	21.3
583.41400	100.0
584.41742	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98060	2.0
53.03937	3.4
55.05499	15.8
57.03429	2.9
57.07062	12.7
59.04987	7.8
65.01235	2.7
67.05493	32.7
69.03423	9.0
69.07064	24.2
79.05486	31.1
81.07047	42.2
83.04973	8.7
83.08627	15.4
83.09079	3.5
83.24650	2.2
85.06535	5.0
91.05473	44.9
93.07032	59.9
94.78836	2.5
95.04962	11.7
95.08591	39.9
97.06529	8.5
97.10176	5.0
103.05440	5.2
105.07020	76.9
107.08584	60.1
109.06531	10.0
109.10146	30.9
111.08077	4.7
115.05434	6.0
116.06164	2.8
117.07017	15.8
119.08567	97.0
121.06501	6.8
121.10133	58.4
123.08023	12.0
123.11724	7.6
125.06037	2.6
125.09602	5.3
128.06189	15.1
129.06993	20.4
130.07776	8.5
131.08566	36.8
133.10115	50.1
135.08070	9.4
135.11656	18.4
137.09601	10.5
139.11185	4.5
141.06979	8.8
142.07762	28.8
143.08562	43.3
144.09358	9.9
145.10106	60.2
147.08040	9.7
147.11678	20.1
149.09622	9.1
149.13251	3.2
150.11046	2.3
151.07547	12.7
153.07048	4.8
154.07759	3.7
155.08566	21.9
156.09319	18.7
157.10115	62.8
158.10858	7.9
159.08058	5.0
159.11673	32.2
161.09602	6.1
161.13272	10.2
163.11200	8.2
163.14798	2.9
165.07008	7.1
165.09077	13.9
166.07768	5.4
167.08545	15.8
167.10654	21.3
168.09381	8.1
169.10117	36.0
170.10841	11.5
171.11690	32.3
173.09694	3.2
173.13235	30.3
175.11169	5.8
175.14854	12.8
177.12729	3.0
179.08521	16.2
180.09315	6.9
181.10071	19.2
181.12271	6.6
182.10895	7.2
183.11674	33.3
184.12479	5.4
185.13229	19.5
187.11249	3.8
187.14816	9.7
189.12793	6.7
189.16338	4.6
191.14302	12.8
192.09290	6.8
193.10133	18.8
193.11719	3.1
194.10933	10.4
195.11697	24.0
196.12392	5.4
197.13248	21.3
198.13948	3.8
199.11304	5.4
199.14847	18.0
201.16380	6.6
203.14325	11.7
205.10161	6.1
206.10895	9.6
207.11714	20.9
207.13809	8.6
208.12428	10.8
209.13251	31.4
209.15091	4.8
210.13931	2.7
211.11209	2.7
211.14798	13.5
213.12764	3.0
213.16389	4.1
215.14378	3.3
217.10120	4.5
217.15825	11.8
218.10873	5.0
219.11711	8.4
220.12411	8.8
221.13260	14.7
221.15393	48.1
223.14795	19.2
225.16383	7.4
227.14355	2.8
231.11679	7.5
232.12473	3.8
233.13235	12.1
233.15413	9.5
234.14001	3.9
235.14729	14.1
237.12617	3.0
237.16389	8.9
239.17940	7.8
241.16023	2.7
245.13431	7.1
246.14049	5.0
247.14810	10.3
249.16513	10.3
251.17952	4.3
253.15804	2.9
255.17381	2.9
257.13358	4.2
257.19025	7.5
259.14871	10.0
260.15500	6.3
261.16302	11.2
263.18048	5.9
265.19507	7.2
269.19092	4.9
273.16315	8.0
275.17862	13.9
277.19522	5.3
279.17456	2.9
281.19083	3.9
283.14667	3.1
283.20541	23.0
289.19577	6.0
293.18771	4.3
299.20499	3.0
300.20868	2.9
316.28397	2.6
331.24243	4.3
343.24188	3.1
349.25348	11.7
361.25217	3.1
373.25546	3.1
375.26880	8.5
491.34982	10.3
503.34924	3.1
510.12283	2.7
565.40247	20.8
583.41455	100.0
584.41693	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	583.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.7
55.01859	7.1
55.05504	25.4
57.03430	9.1
57.07064	2.2
59.04978	4.3
59.16095	1.3
59.21665	1.5
65.03938	3.2
67.05494	79.1
69.03423	20.0
69.07052	10.9
71.01332	1.7
71.04981	6.4
71.62238	2.1
78.93240	1.1
79.05479	22.2
81.03407	79.4
81.07043	33.1
83.04976	19.3
83.08607	22.4
83.09054	2.6
85.02890	21.5
85.06508	4.1
91.05470	24.9
93.07025	17.1
95.04951	21.4
95.08603	15.9
97.02872	13.2
97.06522	5.8
97.10161	10.7
99.04442	5.5
99.08051	2.2
103.03948	1.6
103.05481	1.8
105.07017	19.6
107.04948	6.4
107.08575	14.8
109.02875	16.8
109.06513	6.2
109.10136	51.8
110.10452	1.5
111.04441	15.1
111.08061	9.1
113.05969	2.9
115.05460	3.1
117.07003	4.8
119.04957	2.2
119.08569	20.0
121.06495	6.1
121.10146	8.3
123.04442	3.9
123.08034	2.8
123.11668	3.9
125.05963	2.1
125.09631	8.0
127.03889	11.1
128.06161	1.9
129.05476	1.8
129.07007	8.4
131.04915	3.1
131.08569	7.4
133.02898	3.1
133.06488	4.6
133.10117	8.5
135.04422	1.6
135.08046	3.1
135.11667	3.4
137.05949	10.5
137.09615	6.0
142.07727	1.9
145.06477	2.5
145.10098	4.9
147.04395	2.1
147.08095	4.3
147.11632	11.6
149.06035	2.4
149.09608	4.2
151.03883	3.2
151.07515	2.2
153.09071	2.0
153.12737	1.9
155.08617	1.4
155.10681	3.1
157.10069	9.2
159.08063	1.6
159.11620	2.6
161.05959	4.3
161.09570	2.3
163.11194	3.9
165.05525	1.9
165.09219	2.1
165.12727	2.5
167.07036	10.5
168.07390	1.4
169.10162	1.6
171.08058	1.3
171.11694	1.5
173.05952	1.9
173.09583	2.2
173.11748	13.4
175.07553	1.6
175.11203	8.9
177.05394	2.3
177.12772	1.6
181.04941	3.4
181.12265	1.8
183.06691	1.7
184.07346	3.9
189.11200	5.4
189.12772	2.9
191.07137	1.9
191.10678	2.1
193.08626	1.9
193.12213	23.5
203.46889	1.6
205.08669	2.6
205.12184	2.1
207.69815	1.5
211.13242	40.8
227.12767	6.1
229.14334	17.1
229.71057	1.5
235.13362	3.0
236.20959	2.5
254.22018	3.3
267.15833	11.3
273.14883	2.4
277.14343	2.5
285.17035	3.0
299.14890	4.6
301.14310	3.3
309.17014	2.8
315.12308	1.7
319.15417	2.4
331.17529	1.8
337.16476	4.6
355.17343	11.6
373.18576	4.5
393.18823	1.9
403.24765	2.9
411.20108	4.3
421.25842	9.3
439.26874	17.7
463.26810	1.6
505.28058	6.1
529.28302	1.8
547.29077	4.0
565.21106	2.2
565.29761	12.0
583.31018	100.0
584.31366	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.5
55.01857	4.0
55.05503	25.0
57.03430	10.2
59.04993	2.5
65.03934	3.3
67.05495	67.5
69.03419	16.9
69.07047	7.4
71.04988	7.2
79.05483	17.6
81.03407	95.2
81.07047	27.3
82.37547	1.3
83.04970	19.6
83.08607	22.5
85.02895	21.1
91.05471	24.7
93.07024	14.0
95.04959	19.6
95.08585	10.2
97.02871	10.7
97.06536	4.5
97.10164	11.1
99.04456	3.5
105.07018	12.9
107.04967	4.8
107.08591	11.0
109.02853	13.3
109.06519	4.2
109.10139	44.7
111.04444	12.1
111.08074	8.8
113.06002	1.8
117.07052	3.3
119.08568	15.2
121.06518	2.1
121.10171	5.6
123.04448	2.4
123.08058	2.3
125.09628	9.6
127.03897	7.8
129.05495	1.7
129.07004	9.5
131.08589	6.3
133.06514	3.1
133.10144	6.2
135.08015	2.1
137.06044	1.7
137.09659	2.6
143.18007	1.5
145.10133	1.5
147.08087	2.4
147.11661	10.5
149.06039	1.8
149.09621	4.0
153.09174	1.5
155.10675	3.0
157.10100	7.5
165.12776	2.8
173.11736	12.5
175.11157	8.2
189.11168	6.4
189.12840	1.7
193.12196	21.8
211.13254	38.3
227.12816	6.3
229.14296	11.3
235.13191	2.4
267.15894	11.0
273.14929	3.2
275.03229	1.5
281.14023	2.3
285.16998	3.8
299.14899	8.6
301.14453	4.3
309.17105	1.8
319.15634	2.9
337.16702	3.8
355.17459	12.1
373.18564	6.4
393.19498	2.0
411.20325	1.8
421.25754	10.1
439.26825	16.3
455.26703	2.0
463.27051	2.6
505.28381	4.6
509.27646	2.6
517.28241	3.0
529.28412	3.4
547.29187	3.8
565.30164	9.9
583.31409	100.0
584.31830	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76098	0.7
53.03938	4.6
55.01855	3.9
55.05502	21.1
57.03431	7.8
57.07076	1.1
59.04986	3.0
65.03915	2.9
67.05492	67.2
69.03415	14.1
69.07053	5.3
69.69452	4.1
69.69876	1.3
71.01332	1.1
71.04983	5.6
73.02898	1.3
79.05477	17.1
81.03404	69.8
81.07045	25.7
83.04966	11.5
83.08607	15.6
83.09099	1.0
85.02889	16.7
85.06528	2.2
91.05466	20.4
93.07027	11.3
95.04951	14.8
95.08594	8.8
97.02871	10.8
97.06503	3.3
97.10142	10.6
99.04448	4.2
99.08089	1.1
101.06001	0.9
103.03876	0.8
105.06359	1.3
105.07009	13.4
107.04951	7.7
107.08570	8.7
109.02853	11.3
109.06497	4.1
109.10138	49.8
111.04428	11.4
111.08067	6.8
113.05959	1.4
115.05424	1.0
117.06998	3.1
119.04973	1.2
119.07756	1.5
119.08551	13.6
121.06492	2.8
121.10123	6.5
123.04404	2.5
123.08041	1.4
123.11669	2.2
125.09608	8.2
127.03904	8.7
129.05469	1.5
129.06963	4.7
131.04884	1.7
131.08540	7.0
133.06487	1.8
133.10112	7.8
135.08044	1.9
135.11659	2.5
137.05949	1.3
137.09569	3.4
142.07748	1.6
143.08498	0.9
145.06427	1.4
145.10098	2.6
147.04379	1.8
147.08067	1.9
147.11658	9.8
149.06012	1.8
149.09604	3.9
151.11121	1.2
154.51099	0.7
155.08354	0.8
155.10663	3.1
157.10092	6.6
161.06024	1.3
163.11162	2.3
165.12764	2.6
167.07019	1.2
171.11635	1.5
173.04515	1.6
173.05856	0.8
173.09489	0.9
173.11714	14.5
173.13153	1.4
175.11169	6.7
176.66443	0.8
181.12225	1.5
189.11197	4.3
189.12585	1.1
191.10640	1.5
193.12198	20.8
193.13817	1.5
205.12277	0.8
209.11685	1.3
211.13258	32.0
213.14848	0.8
217.12180	1.5
221.11729	0.7
227.12807	4.8
229.14299	19.0
235.13185	1.9
245.13663	0.8
249.14825	1.2
255.13991	0.8
259.13196	1.3
267.15891	8.6
273.14783	0.9
277.14340	3.7
281.13879	1.5
283.15610	1.5
285.17188	3.5
289.14417	0.8
291.15866	0.8
293.02963	0.7
299.14838	8.0
301.14340	2.8
309.16980	2.7
319.15323	1.7
323.44531	0.7
331.17508	1.9
333.47131	0.8
337.16574	2.6
351.18011	2.3
355.17477	7.7
373.18451	3.6
375.18018	1.5
393.18936	1.6
401.16663	0.8
403.24887	2.1
411.20151	2.5
421.25751	8.1
439.26862	16.5
455.26321	1.1
463.26898	2.0
491.26245	0.7
501.28741	0.8
505.27884	6.5
517.27869	1.4
529.27722	3.0
535.29480	1.2
547.28998	5.4
565.29846	10.3
583.31030	100.0
584.31573	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01856	4.4
55.05504	7.3
57.03421	1.8
61.02910	1.9
67.05488	11.2
67.35790	1.2
69.03409	8.9
69.07052	20.6
69.77110	6.8
71.04980	8.6
73.02934	1.3
79.05479	33.5
81.03407	19.1
81.07042	25.7
83.04967	11.8
83.08623	2.5
84.56335	1.2
85.02885	9.9
85.06522	6.4
88.99719	1.3
91.05454	11.3
93.07027	35.1
95.04947	12.9
95.08586	15.7
97.02873	7.6
97.06515	33.7
98.20750	2.3
99.04433	11.6
105.07012	23.1
107.04937	5.4
107.08577	22.9
109.02868	23.1
109.06507	18.9
109.10134	5.0
111.04446	2.6
111.08041	11.9
113.05976	3.8
115.07557	5.5
117.06988	1.8
119.08566	15.6
121.06481	40.3
121.10114	6.6
123.04403	2.6
123.08076	3.9
123.11667	6.5
125.05978	12.8
127.03888	30.0
127.07525	7.4
129.06961	4.2
131.08548	3.8
133.06454	2.9
133.08588	8.4
133.10104	14.4
135.04417	3.0
135.08028	11.8
137.05972	6.6
139.07504	11.9
143.07004	10.3
143.08534	5.5
145.04927	1.9
145.06560	2.0
145.10088	6.4
147.08044	4.7
147.11662	44.7
149.13232	3.0
151.07562	2.6
151.09657	8.0
151.11165	3.9
153.01813	2.0
153.09088	2.1
156.09413	1.3
157.06479	1.9
157.08611	6.1
157.10114	13.0
159.07895	1.4
161.05966	2.5
161.09650	1.4
161.13193	9.3
163.11223	2.8
165.12758	18.5
167.07021	4.5
169.12233	9.5
171.11639	13.1
173.09665	3.4
175.11154	27.4
179.07106	1.5
181.05136	1.2
181.10172	1.6
181.15106	1.3
187.05986	8.5
187.07468	1.7
187.11263	1.5
189.08984	1.6
189.12711	18.4
191.10571	1.3
191.14386	1.5
193.08585	4.1
193.12193	24.0
199.11143	19.4
203.07057	2.1
204.72232	1.2
205.07010	4.4
207.13765	10.9
209.15208	1.5
211.13260	20.7
217.12193	57.8
218.12491	1.6
225.14789	1.8
229.14287	7.2
231.13672	1.2
235.13245	73.0
236.13365	1.7
249.07381	6.4
251.12744	2.0
253.14307	100.0
254.14661	1.9
263.09198	1.3
271.15387	16.6
281.10086	3.3
288.60043	1.2
289.16443	4.3
294.01605	1.1
295.15408	2.8
313.16360	4.3
315.15948	1.6
319.13828	2.0
325.14401	2.0
337.16394	2.3
343.15378	4.0
348.01105	1.2
350.38776	1.3
361.16360	9.4
379.17496	15.1
397.18536	20.1
415.19626	7.1
433.20602	2.6
523.25482	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2167
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
53.03924	3.1
55.01844	3.6
55.02091	1.2
55.05492	4.4
57.03416	2.2
57.07079	1.2
65.03923	3.8
66.04723	1.0
67.05222	1.0
67.05500	12.1
69.03400	4.5
69.07062	5.7
71.04975	3.2
71.08616	1.2
71.61996	1.0
77.03924	1.5
78.04712	1.6
79.05485	10.6
81.03407	16.9
81.07040	16.2
83.04948	4.1
83.08597	4.9
85.02907	5.1
85.06521	4.6
86.09673	1.3
88.27482	1.1
91.05465	11.7
93.03389	1.1
93.07019	7.2
94.04163	3.5
95.04951	8.5
95.08585	9.7
97.02855	4.3
97.06503	3.7
97.10125	2.0
99.04422	1.6
99.08066	1.3
103.05449	6.4
105.07012	13.8
105.88058	1.1
106.04191	1.3
107.04941	15.5
107.08575	8.0
109.02834	3.9
109.06494	4.0
109.10143	11.2
111.04443	2.6
111.08062	2.0
113.05988	1.0
115.05441	12.7
117.06991	10.1
118.04082	1.3
119.04912	3.3
119.08579	8.3
121.02809	1.5
121.06486	5.0
121.10129	4.5
122.03625	8.7
123.04411	7.1
123.08039	1.2
123.11669	3.2
124.05215	2.6
125.05951	2.1
125.09602	2.4
125.71600	1.2
127.03909	5.2
129.06969	4.1
130.04132	1.1
131.04901	5.0
131.08521	3.2
132.05693	1.8
132.33212	1.2
133.02843	2.9
133.06477	11.6
133.10089	3.2
134.03601	1.0
135.04387	1.7
135.08052	2.4
135.11635	5.2
137.05959	94.6
137.09550	2.1
137.13235	1.2
143.04877	3.2
144.05684	4.0
145.04903	1.1
145.05299	1.5
145.06456	18.5
145.10094	3.1
147.04414	2.5
147.07999	7.4
147.11630	5.0
149.05943	4.4
149.09607	2.0
149.13161	1.9
151.03891	20.8
151.05077	1.5
151.07474	4.2
152.04671	2.6
153.01790	3.6
153.05420	4.8
155.05984	2.4
156.05641	1.5
157.06482	2.1
157.10132	2.1
158.07104	1.3
159.04272	1.2
159.07968	4.4
159.09210	1.0
159.11691	2.5
160.05165	2.0
161.05959	17.8
161.09579	1.4
161.13293	1.1
163.04008	1.4
163.07466	3.8
163.11124	1.8
163.14761	1.1
165.05429	3.1
165.06860	1.3
165.09071	1.5
166.06346	1.3
167.07024	100.0
168.07381	1.5
172.05182	1.9
173.05989	14.7
173.09720	1.1
173.11639	2.1
174.06664	1.0
175.07507	9.0
175.11115	1.5
177.05550	5.6
178.06129	1.8
179.07047	5.8
179.10657	1.5
181.04955	17.7
181.06416	1.8
181.08563	3.8
181.12190	2.1
183.06400	1.1
183.07968	1.9
184.05214	1.5
184.07307	2.1
187.07524	6.5
188.08194	1.4
189.05502	2.6
189.09047	1.4
190.06252	2.5
191.07010	9.1
192.07813	2.1
193.04890	2.1
193.08585	12.5
193.12239	2.2
195.06503	2.6
195.08073	1.6
195.09950	1.2
197.05836	1.6
198.06769	1.2
199.07422	1.4
201.05356	1.3
201.16124	1.1
203.06970	4.4
205.08543	18.8
205.12248	1.2
205.96893	1.1
207.06459	14.1
207.08240	1.4
207.09978	5.0
208.05124	1.2
209.08008	4.0
210.06686	1.2
211.07544	2.3
211.13260	2.8
213.09079	2.3
215.06996	1.2
217.08559	9.0
217.19403	1.2
218.40750	1.2
219.06320	1.9
219.08212	2.2
219.10042	6.6
221.08060	4.0
223.07614	1.6
223.09557	2.4
223.12997	1.2
225.05554	1.5
226.06201	3.7
227.06943	1.7
227.12761	1.5
231.10173	1.4
233.07956	8.6
233.18855	2.0
235.07588	1.7
235.09628	28.0
236.04515	1.2
237.05423	1.4
237.11182	2.2
239.06885	2.1
241.08530	8.4
245.07936	2.4
247.07436	2.2
247.09709	1.7
251.06863	1.3
251.09242	1.2
251.20000	2.4
253.25246	2.5
255.06441	2.1
257.08078	3.7
261.09015	2.2
263.06848	1.9
264.07849	1.9
265.08292	1.7
265.10757	1.9
267.09930	2.1
267.15958	1.6
268.07248	1.7
269.08130	5.8
271.05896	2.6
276.07730	1.8
277.08627	2.3
279.06372	1.5
281.10172	1.2
283.09634	2.8
289.10849	2.5
291.10138	2.4
292.07199	1.4
293.08173	1.3
293.11414	1.5
295.09671	4.4
297.07553	1.9
299.09058	1.2
301.10797	8.2
306.08752	1.3
307.09409	5.0
309.07611	1.7
309.10938	1.7
313.10559	3.6
314.07831	2.4
315.12125	3.0
318.08664	1.9
319.09384	2.1
320.10550	1.3
321.07553	1.4
321.11115	1.8
323.08990	2.1
323.12665	1.6
325.10583	3.3
327.08673	1.2
327.12201	2.6
329.10150	15.2
331.12045	5.3
335.09109	1.5
336.09943	1.3
337.07019	1.4
337.10718	4.4
338.11374	1.5
339.08582	1.3
339.12329	4.0
340.09045	2.0
343.11731	2.7
349.10706	1.6
350.11493	1.3
351.12170	4.3
353.09909	2.5
355.11661	6.1
355.17029	1.5
357.13177	5.2
363.12366	3.3
365.13824	2.8
367.11719	2.9
368.12906	1.4
369.13358	5.5
371.14703	1.6
373.12714	2.9
379.11801	2.8
381.13306	9.9
383.14990	5.1
385.12830	4.8
387.14105	1.7
393.13196	3.5
395.14716	2.3
397.12836	4.0
399.14401	6.4
401.15604	2.0
411.14206	8.8
413.16168	1.5
423.14215	3.8
429.15390	3.8
439.26877	1.9
441.15378	4.6
459.16507	29.1
535.19489	4.6
547.19385	8.3
553.20776	13.5
565.20612	26.7
565.28564	1.5
566.20764	1.9
583.21509	37.9
583.30450	8.8
584.21997	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	582.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01866	2.8
55.05502	26.1
57.03436	19.4
57.07055	4.6
65.03946	3.5
67.05496	68.2
69.03416	4.8
69.07056	28.7
70.58965	6.5
71.04969	4.8
79.05482	34.5
79.63322	1.8
81.03408	61.1
81.06571	4.0
81.07043	70.7
83.04967	18.3
83.08613	30.0
85.02895	23.3
85.06532	2.1
91.05471	40.9
93.07033	27.8
95.04961	23.8
95.08589	45.1
97.02885	1.8
97.06514	6.3
97.10137	9.7
99.08031	1.8
105.07010	29.6
107.04924	7.7
107.08579	14.7
109.06516	6.3
109.10153	19.0
111.08057	11.9
113.05990	1.7
117.99494	1.9
119.08565	26.2
121.06451	1.9
121.10121	17.3
123.08076	3.3
123.11713	7.0
129.06960	6.6
131.08577	11.3
133.06528	3.4
133.10123	20.9
135.11642	3.8
137.09587	2.6
137.13228	3.1
142.07733	2.2
145.10098	4.7
147.08075	4.2
147.11667	18.3
149.09581	5.0
151.11182	2.6
157.10112	12.9
159.11690	2.6
165.12741	2.0
175.11151	11.8
175.14821	3.4
191.67133	1.9
193.12224	52.1
200.31129	2.0
211.13266	81.2
245.22566	4.2
263.23563	2.4
267.15805	19.1
285.13675	1.7
285.16916	89.9
337.27313	100.0
338.27573	2.1
529.38824	12.7
547.39929	86.3
548.40344	2.1
582.40887	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	582.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34457	2.3
52.53528	2.2
53.03917	6.1
55.05503	28.6
57.03430	14.5
57.07067	4.7
59.45364	2.6
65.03924	3.0
67.05492	59.5
69.03416	4.5
69.07062	30.0
69.28384	29.1
71.04978	4.3
73.65594	2.2
79.05473	26.8
81.02977	3.3
81.03413	39.1
81.07044	63.6
83.04967	11.7
83.08607	28.8
85.02895	19.0
89.65438	2.1
91.05473	34.6
93.07028	25.4
95.04977	20.2
95.08591	43.6
97.06503	7.6
97.10143	7.6
98.65904	2.3
105.07011	25.6
107.04934	4.1
107.08583	16.5
109.06535	4.7
109.10149	17.2
111.08076	8.8
113.07247	2.1
117.06979	4.2
119.08559	22.8
121.10120	16.9
122.25832	2.6
123.11674	9.6
129.06964	7.7
131.08556	10.9
133.10085	16.1
135.11696	3.7
137.09579	3.5
142.07782	4.1
143.08536	4.3
145.10081	7.0
147.08015	4.4
147.11662	14.2
149.09639	5.3
157.10112	15.8
159.11737	4.7
165.12688	3.9
175.11189	10.1
193.12206	27.6
195.11563	2.5
199.14772	2.3
211.13271	47.0
221.15291	3.8
263.23669	5.1
267.15973	14.4
285.16928	42.6
295.83563	2.7
337.27307	100.0
529.38794	12.3
547.39880	75.1
548.40039	5.2
582.40796	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80453	0.7
55.01862	0.8
57.03432	4.6
63.61424	0.5
68.38451	0.6
69.03403	1.6
70.06561	0.6
71.04977	7.3
71.61774	1.0
75.04463	2.4
79.05470	1.4
81.03413	0.7
83.04979	1.3
85.02892	12.9
87.89709	0.5
91.05456	0.7
95.04949	1.5
97.02899	1.3
103.05447	1.0
105.07014	13.9
107.04918	1.2
109.02852	0.9
111.04413	2.5
117.07001	0.8
120.20068	0.6
127.03899	1.1
129.05432	2.7
131.07080	0.7
133.06473	43.4
135.04395	0.7
135.07990	0.7
136.14264	0.6
137.05957	67.7
143.08487	0.7
145.06415	0.6
147.06526	1.1
147.07947	0.7
151.07498	3.3
153.01907	0.7
161.09608	0.7
163.07541	3.5
165.09084	27.2
175.07489	3.1
175.11136	0.9
177.09087	2.1
179.07033	0.7
180.07861	0.6
181.08514	2.6
183.10143	14.5
189.09061	1.2
191.06998	0.7
203.10675	2.3
209.11662	0.8
221.11716	2.5
239.12856	1.3
239.29704	0.6
251.12625	0.6
257.13809	100.0
267.08612	0.7
281.13687	1.5
282.82159	0.6
285.94958	0.7
349.16367	3.0
367.17535	1.3
371.12332	0.6
403.19516	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01851	0.7
55.05486	0.6
57.03408	1.2
61.02909	1.0
66.83975	0.4
67.05491	1.9
68.85033	0.4
69.03426	2.4
69.07043	1.0
70.07635	1.4
70.08040	0.9
71.04977	0.9
73.02925	0.6
74.09689	1.3
79.05476	1.5
81.03384	1.7
81.07047	2.6
83.08598	0.8
85.02893	9.5
85.06514	0.6
86.09689	1.3
91.03951	0.4
91.05458	1.1
92.38409	0.4
93.07015	1.5
95.04923	0.7
95.08591	2.0
97.02864	3.0
97.06509	0.7
98.21519	0.4
99.04453	0.6
104.10729	0.8
105.06998	1.6
107.04910	0.4
107.08579	1.6
109.02850	1.3
109.06528	0.5
109.10123	1.6
111.08068	0.4
115.05385	0.8
117.06999	0.4
119.08533	1.1
121.06477	1.0
121.07355	0.3
121.10120	2.1
123.04394	0.5
123.11661	0.7
124.99944	0.5
125.09552	0.4
127.03881	1.6
128.06195	1.2
129.06990	1.7
131.04930	0.8
131.08545	1.0
133.06538	0.4
133.10135	1.1
135.11664	1.3
137.05952	1.8
139.07516	0.5
141.06979	1.1
143.04910	0.6
143.08530	1.8
145.04961	2.1
145.06458	1.6
145.10078	0.9
147.11674	0.6
149.05899	0.4
151.03862	0.9
151.07430	0.5
153.01813	0.4
156.05673	0.7
157.06480	3.7
158.07251	5.2
159.04445	0.8
159.08005	2.3
160.08794	0.8
161.05969	0.7
161.09561	0.5
161.13246	0.5
162.07631	0.5
163.07455	0.5
163.11096	0.4
167.07022	1.6
170.07208	1.8
171.04352	0.5
171.07976	1.7
172.05235	0.4
172.08800	8.2
173.05943	6.0
173.09557	1.3
174.06750	5.5
175.07497	2.1
177.09033	0.5
180.08633	1.0
181.04897	0.9
184.07312	3.8
185.05908	0.6
186.06744	3.8
186.10352	1.7
187.07521	4.2
188.08295	21.0
189.09071	11.5
198.06705	1.0
201.09076	31.7
202.09843	8.6
203.06929	0.8
203.10628	11.2
204.04192	0.5
209.08109	0.5
214.06270	1.6
215.06944	0.8
216.07732	0.7
217.04967	0.4
217.08585	4.2
217.12152	0.7
217.19510	1.9
219.06519	5.7
219.10136	1.3
228.07790	0.4
229.08543	26.4
230.08945	0.5
232.07307	0.8
235.20486	1.7
246.08710	0.4
247.09619	100.0
248.09973	1.7
253.21640	2.6
261.11188	22.3
271.22626	2.2
279.12228	26.2
280.12439	0.5
301.06900	0.5
306.85181	0.4
448.14963	0.4
448.94196	0.4
534.18317	0.4
552.18677	0.5
582.20300	0.5
582.34760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01866	7.4
55.05264	1.2
55.05504	19.0
55.48650	0.6
57.03428	4.0
57.07061	1.6
59.04984	4.2
65.03919	1.9
67.05496	59.8
69.03069	1.0
69.03421	16.3
69.07066	5.9
71.01333	1.7
71.04980	6.6
71.63019	0.9
79.05054	1.3
79.05480	18.5
81.03408	58.3
81.07044	25.0
83.01352	3.6
83.04967	16.8
83.08601	11.9
85.02882	7.2
85.06530	2.6
91.05470	16.4
92.05739	0.9
93.07028	19.2
95.04955	8.6
95.08590	10.0
95.10351	0.7
97.02882	10.7
97.06524	4.4
97.10162	7.4
99.04445	5.5
105.07027	8.2
107.04921	5.8
107.08577	11.9
109.02866	13.9
109.06514	4.5
109.10139	38.3
111.04416	13.3
111.08054	3.0
117.06997	4.7
119.08567	8.3
121.06492	2.4
121.10120	6.2
123.04414	2.1
123.08056	5.1
125.05960	0.9
125.09624	5.7
127.03913	9.8
129.06956	2.7
130.07797	1.7
131.08540	3.1
133.10129	3.7
135.08025	2.0
135.11670	8.0
137.05925	1.4
137.09563	4.2
143.08559	1.5
145.06395	1.0
145.10110	9.7
147.04390	1.2
147.08066	1.0
147.11578	1.5
149.05965	0.9
149.09535	1.1
151.11113	0.9
152.92035	0.7
153.09100	0.8
153.12711	6.0
155.08505	1.2
155.10638	2.5
157.10133	0.7
159.11649	1.0
161.09645	0.9
163.11183	13.5
171.11647	1.0
173.04414	1.6
173.09563	2.0
173.11714	13.9
175.11142	0.9
181.12221	3.1
189.11166	5.0
191.10625	3.5
193.12167	1.6
209.11702	8.5
211.13168	0.8
227.12764	10.2
229.14336	2.2
245.13788	0.8
265.14392	0.8
273.05811	0.7
281.13760	2.2
283.15363	2.6
299.14868	11.0
301.14066	0.9
312.77328	0.9
325.16080	0.7
335.14627	1.1
337.16376	1.3
353.15869	3.4
355.17584	9.0
373.18604	0.9
409.18652	1.6
421.65826	0.7
437.25156	8.2
507.25702	1.8
563.28296	2.2
581.29413	100.0
582.29602	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	581.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67797	1.6
53.03928	5.9
55.01854	6.1
55.05494	6.4
57.03413	5.1
57.07039	2.0
65.03926	2.7
67.05499	19.1
69.03419	20.1
69.07053	10.7
69.77386	11.2
71.04983	9.7
73.02894	5.2
75.04475	2.9
79.05476	21.0
81.03413	21.3
81.07045	33.1
83.04974	20.3
83.08589	5.4
85.02905	16.1
85.06526	8.1
87.04456	2.1
91.05471	9.7
93.07030	42.8
95.04961	26.5
95.08585	16.3
97.02895	11.5
97.06522	25.8
99.04437	18.2
101.05991	2.5
101.07146	1.9
105.07026	30.0
107.04943	57.6
107.08585	28.5
109.02876	28.8
109.06496	20.0
109.10144	7.3
111.04417	3.4
111.08065	13.2
113.06003	14.4
117.06982	4.7
119.04955	2.2
119.08554	17.5
121.06483	52.4
121.10105	6.8
123.04409	3.8
123.08051	5.6
123.11667	6.4
125.05977	12.8
127.03902	33.8
127.07520	10.1
129.07028	3.5
131.04901	3.9
131.07040	9.0
131.08527	5.0
133.06464	4.0
133.10104	14.4
135.04396	4.4
135.08015	15.1
135.11711	2.7
137.05984	11.8
137.09525	1.7
139.07530	15.6
141.05423	2.4
142.07840	2.2
143.07034	11.9
143.08504	9.1
143.38348	1.7
145.04909	3.0
145.06447	4.3
145.10117	7.9
147.08028	3.4
147.11664	45.3
149.05963	2.6
149.08047	4.3
149.13228	3.4
151.03865	1.9
151.07532	2.6
151.11186	4.9
153.01808	5.6
153.09067	5.1
156.09378	2.0
157.08563	6.3
157.10092	13.9
157.47488	1.9
159.08017	3.2
159.11687	2.7
161.05952	4.1
161.09579	2.8
161.13229	9.7
163.07674	1.9
163.11139	1.9
165.12740	20.5
167.07001	17.6
168.07381	6.2
169.07552	2.3
169.12221	8.4
171.11653	15.9
173.05984	3.6
173.08144	2.3
173.09550	3.8
173.13226	3.5
175.07674	1.7
175.11163	31.5
179.06960	2.6
181.05009	8.5
181.08559	2.3
181.10094	2.8
187.06024	12.7
187.07497	3.0
189.12706	18.2
191.06966	2.5
191.14166	1.8
193.04861	2.3
193.12233	23.2
199.11143	19.3
201.09039	2.1
205.04938	4.5
205.07042	6.1
207.13773	17.4
209.15353	3.3
211.13229	18.5
217.04849	2.2
217.12219	61.8
217.14278	3.4
229.14323	7.3
235.13272	82.8
237.11140	1.8
247.06046	3.2
249.11182	5.5
251.12671	3.0
253.14317	100.0
257.13852	2.8
259.05890	4.6
267.11163	1.7
271.06097	2.9
271.15381	13.1
277.94006	1.9
287.05481	24.8
289.16556	2.9
301.06931	2.1
311.09119	2.3
313.07086	3.1
313.11472	2.1
313.16409	3.2
325.14163	3.4
335.13071	4.5
337.16318	2.5
343.08237	2.6
343.15198	5.8
361.16492	5.6
365.26938	2.5
379.17368	16.1
389.15161	2.2
395.11273	3.5
397.18582	19.0
401.16107	2.4
407.11246	2.9
413.12323	2.6
415.19421	8.5
431.12830	6.8
449.12051	5.1
460.29993	2.4
461.13358	2.4
475.18994	1.8
479.13394	2.7
485.14288	3.3
497.14041	2.1
509.14578	2.9
545.16528	1.9
581.21112	9.8
609.61224	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.8
55.05501	25.3
57.03424	16.9
57.07047	5.5
59.04993	2.3
65.03919	3.9
67.05497	67.2
67.05862	3.6
69.03430	3.9
69.07056	17.5
69.63789	17.9
71.04981	5.3
76.32456	2.3
79.05477	44.3
81.03407	49.5
81.07046	58.6
83.04965	13.6
83.08608	19.3
85.02905	19.1
85.06520	3.7
91.05466	45.6
93.07029	49.0
95.04961	22.7
95.08594	39.8
97.02911	2.4
97.06500	6.7
97.10135	3.5
101.48987	2.6
105.07021	33.4
107.04940	7.5
107.08575	23.4
109.06519	5.9
109.10133	19.2
111.08073	9.8
117.07040	5.1
119.08553	27.3
121.06467	2.5
121.10126	29.2
123.08038	6.9
123.11702	6.4
129.06990	10.2
131.08574	17.9
133.06447	2.3
133.10098	20.4
135.11682	9.7
137.09605	3.2
142.07780	3.2
143.08485	3.0
145.10101	8.6
147.08034	4.4
147.11659	11.4
149.09644	12.5
157.10095	17.0
159.11673	5.9
161.13232	4.0
165.09042	4.3
169.10170	4.2
171.11662	2.8
173.13298	5.4
175.11153	12.0
175.14719	3.5
178.82739	2.5
185.13148	2.9
193.12202	32.6
211.13220	48.7
215.14288	2.7
221.13428	3.4
221.15363	3.6
243.21060	5.2
261.22116	7.1
267.15878	7.2
274.58398	2.3
285.16895	44.5
311.18384	2.4
317.25092	3.0
335.25742	100.0
474.94302	2.6
488.32159	3.2
527.36987	7.8
545.38324	73.2
580.38287	12.1
581.39978	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	580.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.7
53.34214	1.4
55.01868	9.9
55.05507	19.7
56.40117	1.2
57.03426	17.1
57.07057	2.9
59.04976	2.0
61.02921	8.6
65.03931	1.6
67.05498	73.5
69.03419	8.0
69.07060	49.8
69.60616	11.8
71.01364	2.2
71.04983	8.1
73.01480	1.2
73.02904	4.9
74.71580	1.3
79.05486	37.3
79.05946	2.1
81.03411	14.7
81.06573	3.5
81.07047	61.9
83.04972	7.3
83.08611	12.9
85.02885	10.4
85.06524	6.4
85.28770	1.4
91.03947	3.5
91.05470	42.7
93.07034	35.6
95.04955	13.6
95.08591	38.0
97.02872	5.2
97.06512	18.3
97.10159	5.7
99.04446	1.7
99.08052	2.4
103.03942	2.0
105.07015	34.6
107.04942	9.1
107.08583	26.0
109.02881	2.5
109.06508	6.4
109.10145	33.0
111.04492	2.1
111.08084	5.3
117.07004	11.5
119.08568	28.3
121.06475	6.5
121.10115	16.8
123.08051	7.7
123.11668	6.1
123.39443	1.3
125.09594	8.4
127.03866	3.4
129.05499	2.5
129.06987	3.8
131.08546	13.9
133.06488	1.7
133.10120	24.8
135.08034	6.4
135.11678	14.3
137.09615	12.1
139.07501	1.9
139.11197	2.0
141.06960	1.7
142.07709	1.8
143.08554	4.4
145.10101	13.6
147.08089	1.4
147.11697	14.0
149.09595	19.1
149.13223	4.5
151.11169	3.1
153.12729	1.4
155.08574	2.4
155.10606	1.9
157.10115	4.9
159.11696	10.4
161.09610	2.8
161.13240	8.2
163.11134	10.9
165.09024	1.7
167.10727	1.5
169.10121	3.2
171.10144	11.2
171.11638	4.8
173.09502	1.5
173.11714	13.5
173.13254	7.3
175.11124	2.7
177.12737	4.5
179.14374	6.7
181.12289	2.1
183.11688	2.5
185.13171	2.1
187.11177	3.8
187.13217	2.9
187.14789	1.7
193.12218	3.2
195.13800	2.0
197.13159	2.6
205.12119	2.4
205.88240	1.4
223.13174	2.3
227.12648	2.2
229.12070	2.4
229.14297	35.6
229.19391	2.4
233.18930	1.6
239.17894	3.7
243.15891	12.3
247.20518	2.2
253.17984	8.8
255.15796	10.2
257.19022	7.7
267.15768	3.5
269.17462	4.6
271.15540	2.9
273.18414	3.3
275.20016	35.7
285.16800	2.5
291.19586	5.5
293.20996	3.2
297.16998	2.8
349.23688	100.0
350.24057	2.9
350.67819	1.7
367.24820	12.2
383.24240	2.4
580.33765	4.2
581.28925	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28147	1.7
53.03937	9.1
55.01859	10.1
55.05501	25.0
57.03426	18.9
57.07076	3.2
61.02914	11.4
65.03925	4.1
67.05495	89.0
69.03420	13.2
69.07059	68.8
69.97680	10.2
71.01314	3.5
71.04983	11.5
73.02897	7.5
74.96246	1.8
79.05056	3.3
79.05483	48.8
81.03410	26.2
81.07049	75.3
83.04964	11.6
83.08614	17.9
85.02887	14.7
85.06534	9.1
91.03931	5.4
91.05467	51.6
92.54150	1.9
93.06466	3.4
93.07030	46.4
95.04969	15.6
95.08595	50.2
97.02851	10.7
97.06522	24.3
97.10162	10.6
99.04424	2.8
99.08063	3.9
103.03931	3.6
105.04560	2.5
105.07018	42.6
107.04955	12.3
107.08576	34.0
109.02847	4.1
109.06494	7.0
109.10142	44.4
109.10889	2.7
111.04417	3.2
111.08038	7.8
111.11679	2.8
117.07005	14.8
119.08561	33.2
121.06469	7.0
121.10127	20.8
123.08096	8.7
123.11665	8.2
125.09615	9.6
127.03888	7.2
129.06993	6.3
131.08582	22.4
133.06448	4.5
133.10106	31.9
135.08028	5.9
135.11655	16.6
137.09613	17.5
137.13231	2.1
139.11105	2.9
141.06976	3.5
143.08537	5.5
145.10107	23.8
147.11646	22.2
149.09583	18.0
149.13226	6.1
151.11147	6.9
155.08484	3.7
155.10628	3.2
157.10080	7.1
159.11647	15.9
161.09592	2.1
161.13217	12.2
163.11147	13.6
165.09059	2.6
167.07095	2.4
169.10092	3.5
171.10138	12.6
171.11691	8.0
173.04407	2.9
173.09485	3.6
173.11717	15.7
173.13258	8.5
175.11131	5.0
175.14957	1.7
177.12683	4.5
179.10677	1.9
179.14246	5.3
181.12173	2.2
183.11668	4.1
185.13359	2.4
187.11156	3.3
187.13368	2.4
187.14861	2.4
189.11201	4.4
189.12743	2.1
191.14256	2.9
193.12204	4.8
195.13692	2.8
197.13246	3.2
199.14749	1.9
211.13164	2.9
211.14972	2.1
223.13171	2.0
226.04880	2.0
227.12749	2.1
227.17906	1.8
229.14322	35.9
229.19406	4.5
239.17923	5.9
243.15921	9.9
247.20522	5.2
253.17940	6.7
255.15930	7.1
257.18958	13.3
267.15848	3.4
269.17523	4.2
271.15305	6.7
273.18515	3.6
275.20035	50.1
285.16891	3.7
291.19479	5.3
293.21011	3.8
297.16953	2.8
343.34311	1.8
349.23691	100.0
350.24084	3.1
365.23639	2.5
367.24756	14.5
459.26706	1.8
580.32458	7.9
581.29175	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	580.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65285	1.2
53.03942	3.3
55.05494	6.6
56.60634	1.4
57.03419	4.7
57.07051	1.7
59.04974	1.5
61.02923	2.8
65.03927	2.7
67.05212	1.6
67.05502	16.3
69.03417	16.3
69.07060	10.8
70.73666	1.3
71.04972	6.2
73.02883	1.8
79.05479	13.2
81.03403	15.6
81.07045	30.7
83.04959	10.5
83.08615	3.3
85.02895	31.7
85.06536	7.6
91.05463	10.0
93.07031	37.2
95.04961	17.8
95.08601	22.6
97.02882	12.3
97.06507	21.8
99.04432	12.3
101.05998	2.5
105.07018	30.2
107.04922	4.5
107.08577	27.4
109.02859	20.7
109.06508	17.8
109.10137	11.8
111.04445	2.4
111.08064	12.2
113.05991	18.5
115.07552	2.4
117.06994	3.5
119.04958	1.8
119.08570	19.7
121.05640	2.3
121.06492	41.7
121.10159	10.0
123.04398	2.9
123.08067	7.0
123.11678	15.1
125.05995	11.9
127.03908	28.0
127.07530	8.0
129.05455	3.4
129.06982	1.7
131.07033	43.5
131.08510	6.8
133.06465	3.0
133.10107	16.5
135.04375	3.0
135.08009	10.5
135.11717	4.1
137.06004	7.3
137.09605	3.2
139.07513	10.3
139.11201	2.1
141.05438	3.0
143.07059	10.9
143.08492	6.9
145.04918	6.4
145.06477	2.7
145.10092	8.6
147.08017	1.7
147.11665	48.5
149.09602	3.7
149.13286	3.0
151.11171	4.1
153.09048	2.4
155.07051	2.9
157.08586	5.5
157.10081	11.1
159.06476	1.5
159.11664	2.9
161.06007	2.4
161.09621	3.2
161.13243	10.8
163.06062	3.3
163.07408	2.9
163.11128	4.3
163.14810	2.5
165.09064	1.6
165.12738	21.6
167.07019	3.4
169.05002	1.4
169.12215	6.3
171.11641	10.9
173.09529	3.0
173.13280	2.5
175.07526	2.1
175.11179	24.9
175.14709	1.6
181.05003	2.1
181.10098	2.5
187.05960	6.4
187.11105	3.0
189.12708	18.9
191.10594	2.7
193.10573	2.8
193.12207	25.8
199.09518	2.2
199.11183	18.3
203.17915	14.4
205.07021	4.1
207.13766	14.9
211.13263	12.7
217.12212	49.9
219.13647	1.8
229.14334	5.7
235.13266	64.0
239.16386	1.6
253.14317	100.0
264.03394	1.4
269.13577	1.3
269.17389	5.1
271.15417	23.7
289.16418	4.8
293.12262	4.1
295.15265	1.9
313.16293	3.7
325.14352	2.4
337.16415	2.9
343.15152	4.3
355.17511	2.0
361.16364	12.0
365.23135	2.4
379.17499	22.2
383.24112	2.6
397.18512	30.4
415.19489	16.9
433.20490	4.8
581.19763	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3882
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03931	5.9
55.01852	8.2
55.05506	35.5
57.03433	18.9
57.07056	11.9
59.04993	3.1
60.64921	2.2
62.73911	2.2
65.03916	4.1
67.05492	92.0
69.03404	7.9
69.06718	2.7
69.07056	31.3
70.56733	2.2
71.04981	12.9
71.08618	3.9
71.62831	2.7
79.05055	4.4
79.05483	62.7
81.03415	27.0
81.07043	100.0
82.04177	2.7
83.04973	14.3
83.08607	25.4
85.02879	12.1
85.06517	8.8
91.05468	54.2
93.06464	4.3
93.07030	67.9
95.04955	23.7
95.08593	66.9
95.09159	1.6
97.02840	3.6
97.06513	17.0
97.10162	15.2
99.08069	4.7
105.06373	4.3
105.07022	51.9
107.04930	11.6
107.08564	38.6
109.06503	7.6
109.10139	37.3
111.04425	2.5
111.08069	8.6
113.09556	2.4
116.04691	5.3
117.06985	17.0
119.08566	29.8
121.06481	6.1
121.10123	31.7
123.08049	10.2
123.11670	10.7
125.09605	15.2
129.05478	12.5
129.06963	11.9
131.08548	22.7
133.06560	2.9
133.10107	28.0
135.08060	4.5
135.11670	22.8
137.09581	7.8
137.13203	4.4
139.11157	3.2
141.07010	3.1
143.07016	3.5
143.08540	8.1
145.10123	15.1
147.08038	5.8
147.11659	19.4
149.09607	6.9
149.13187	12.2
151.11172	3.1
155.08543	2.9
157.08627	4.7
157.10127	11.9
159.11652	14.8
161.13203	9.4
163.11154	6.5
163.14836	4.0
165.12703	5.2
169.10054	4.1
171.10201	2.6
171.11624	5.5
173.13226	9.9
175.11166	7.1
175.14813	4.7
179.14166	3.0
185.13243	3.7
187.14809	6.4
189.11189	6.3
189.16270	2.5
191.14211	4.4
193.12218	17.3
195.11858	2.6
195.20958	2.4
199.14934	2.9
209.11700	2.9
211.13187	20.9
227.12694	5.4
229.14380	3.5
259.20590	5.6
261.22006	10.9
267.15921	6.1
267.36145	2.4
275.20010	4.0
277.21591	23.3
285.16959	15.3
293.21094	4.4
295.22659	5.6
301.16376	12.3
333.24445	2.6
335.25723	24.2
351.25198	16.3
353.26617	2.7
386.19958	2.7
426.23584	2.6
517.35107	6.6
535.35895	4.5
543.36896	15.1
545.38165	7.6
547.39575	2.3
561.37708	43.5
562.38446	5.4
579.38556	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	579.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.8
55.01863	10.6
55.05503	36.4
57.03432	19.3
57.07058	8.4
59.04997	2.9
65.03938	4.0
67.05496	100.0
69.03420	7.5
69.07063	34.6
69.48397	25.0
69.48808	4.8
71.04979	11.7
79.05488	61.0
81.03419	26.8
81.07050	90.7
83.04967	20.3
83.08612	25.7
85.02885	8.9
85.06533	8.5
91.05467	55.3
93.07030	70.2
94.07369	3.0
95.04965	23.2
95.08597	68.6
97.06535	15.1
97.10168	15.5
99.08064	6.4
105.07017	46.9
107.04974	6.0
107.08580	40.1
109.06510	12.8
109.10141	44.3
110.28957	2.8
111.08070	10.1
113.06021	2.7
113.09641	2.4
116.04693	5.6
117.07013	13.6
119.08567	41.6
121.06453	5.7
121.10126	29.3
123.08054	11.7
123.11703	14.9
125.09624	12.9
129.05428	16.5
129.06990	11.0
131.08562	29.1
133.10114	26.9
135.08054	6.6
135.11644	23.9
137.09639	5.9
137.13235	3.9
139.11131	3.8
143.07018	7.2
143.08531	10.5
145.10066	22.9
147.08015	5.2
147.11656	23.9
149.09641	5.7
149.13271	13.4
151.11108	4.4
157.08604	10.7
157.10098	12.2
159.11636	15.8
161.09669	3.3
161.13191	11.3
163.11169	6.8
165.12762	7.0
171.10052	3.8
171.11516	6.2
173.13235	8.1
175.11139	10.2
175.14882	4.6
177.12697	4.8
179.14194	3.0
181.10167	3.4
185.13237	6.6
187.14745	3.7
189.11209	7.1
193.12239	20.6
200.13939	4.5
201.12822	3.1
205.12103	3.4
211.13307	24.9
227.12726	8.1
229.14189	5.4
235.17046	3.1
241.14180	3.4
259.20535	5.3
261.22131	10.6
267.15845	14.0
275.20068	4.1
277.21609	23.8
279.23166	6.0
283.15247	3.6
285.16855	19.6
293.21051	4.8
295.22620	5.1
301.16412	23.4
301.21793	3.6
312.91812	3.0
333.24188	4.9
335.25769	22.1
351.25333	21.8
433.30225	3.5
451.32364	3.2
469.33417	4.8
512.36133	2.6
517.35327	5.0
525.35516	4.7
527.37329	6.4
529.37927	4.8
535.36108	11.1
543.36975	21.1
545.38055	11.4
547.38947	5.5
551.61139	2.7
561.37695	58.2
579.39362	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3884
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03941	5.5
55.01863	11.0
55.05505	33.4
57.03430	19.4
57.07057	5.9
59.04993	1.9
65.03932	2.5
67.05496	96.1
68.05831	3.0
69.03415	5.7
69.07060	27.5
69.53783	17.2
71.04982	12.2
71.08619	3.8
73.02924	2.5
79.05049	3.9
79.05486	57.2
81.03408	34.5
81.07047	100.0
82.04152	2.1
82.07368	1.9
83.04968	16.0
83.08609	27.1
85.02906	7.8
85.06552	8.7
91.05470	50.8
93.07033	59.4
95.04958	25.5
95.08594	69.3
96.02787	1.8
97.06511	13.3
97.10147	16.6
98.07349	3.6
99.08068	3.1
105.07018	44.4
105.07671	3.8
107.04943	7.6
107.08584	36.6
109.06509	8.1
109.10141	44.5
110.10387	1.8
111.08098	10.1
113.09658	3.2
115.05448	2.1
116.04717	3.1
117.06998	15.0
119.08569	36.7
121.06490	5.6
121.10123	32.2
123.08059	8.4
123.11695	11.3
125.09600	14.5
126.10029	1.9
127.07520	1.9
127.11183	2.7
129.05499	11.3
129.06972	11.1
131.08553	23.3
133.06470	2.9
133.10104	25.5
135.08023	3.9
135.11684	21.8
137.09564	6.3
137.13266	3.3
139.11172	4.7
141.07010	2.4
142.07790	3.0
143.06932	2.4
143.08539	10.1
145.10114	19.2
147.08084	4.1
147.11679	23.3
149.09589	8.9
149.13225	9.4
151.11128	3.9
151.14828	2.0
155.08594	2.6
157.08604	6.1
157.10123	14.9
159.08043	3.2
159.11699	12.2
161.09641	3.0
161.13229	8.7
163.11143	6.1
163.14804	3.4
165.12738	3.9
169.10075	2.5
171.10217	2.9
171.11650	8.1
173.11740	5.8
173.13254	8.5
175.11206	9.7
175.14830	6.1
177.12738	3.8
181.10091	3.2
183.11655	2.9
185.13246	6.4
187.14822	3.5
189.11203	7.5
189.16345	2.2
191.14352	1.8
193.12263	17.8
195.11659	2.9
197.13330	2.2
199.14870	4.3
203.12666	2.4
211.13225	25.9
211.14891	2.3
213.16539	2.1
217.14386	2.7
227.12794	7.7
228.13263	2.3
229.14272	8.9
241.14304	2.5
241.19539	4.1
243.20964	3.8
249.22307	1.9
259.20569	6.4
261.22202	10.0
267.15897	13.4
268.16397	2.4
275.20050	4.0
277.21637	23.2
279.23273	3.5
283.15344	3.8
285.16904	19.4
293.20993	3.7
295.22678	4.1
299.23215	2.4
301.16495	14.2
315.23135	4.9
317.24643	3.2
335.25793	16.6
351.25284	13.0
407.27783	2.6
423.32196	2.4
425.89716	2.2
433.30786	2.5
451.31882	4.6
459.34604	3.0
461.32507	2.4
469.33115	6.3
487.34048	4.9
489.35410	3.5
505.35187	2.5
508.91702	1.9
515.36420	2.5
517.35083	8.0
527.37213	3.9
529.38245	2.4
535.35968	5.3
543.36853	23.3
544.37390	3.9
545.37988	8.9
561.37836	53.1
562.37927	5.5
579.31140	3.0
579.38953	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	579.3884
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03938	5.0
55.01852	8.8
55.05503	40.0
57.03428	19.0
57.07049	7.3
58.27485	2.2
65.03915	6.2
67.05494	95.2
69.03419	5.8
69.07061	32.3
70.51910	2.6
71.04975	10.8
71.08609	6.4
71.62965	3.0
79.05481	66.4
81.03407	24.9
81.07045	100.0
83.04974	13.7
83.08615	22.8
85.02876	6.0
85.06524	7.0
91.05463	57.0
93.07033	68.2
95.04954	21.8
95.07966	4.2
95.08588	65.3
97.06508	15.2
97.10153	19.4
99.08086	9.2
105.07012	53.2
107.04919	10.9
107.08585	42.9
108.08899	2.4
109.06498	10.2
109.10141	35.5
111.08084	9.2
115.05432	4.1
117.07001	19.7
119.08566	38.2
121.06489	7.1
121.10122	43.4
123.08042	9.2
123.11675	12.7
125.09608	9.7
129.05447	6.5
129.06976	9.7
131.08546	26.6
133.06461	2.7
133.10109	27.6
135.08047	4.0
135.11656	28.6
137.09598	6.7
139.11137	6.8
143.08549	6.9
145.10101	19.2
147.07994	3.5
147.11682	27.5
149.09616	10.6
149.13205	11.2
151.11180	6.4
153.09093	2.6
155.08644	2.8
157.08784	2.8
157.10075	13.4
159.11609	13.9
161.09615	3.5
161.13173	11.2
163.11148	8.4
165.12770	6.8
167.10635	3.7
169.10126	3.9
171.11684	5.7
173.11754	5.8
173.13258	8.2
175.11171	7.5
175.14847	5.5
177.12703	3.1
179.14270	20.0
181.12115	3.4
183.11621	2.3
185.13283	4.7
187.14748	3.2
189.11214	5.9
189.12704	4.4
193.12242	11.0
198.50711	2.4
199.14696	3.2
209.11662	5.3
211.13237	24.0
211.14990	3.1
227.12756	6.8
229.14244	7.6
241.19571	2.4
243.15782	2.6
243.21111	2.6
245.13603	2.7
249.22290	2.7
255.20956	3.7
259.20560	8.4
260.33813	2.5
261.22086	9.8
267.15842	17.6
273.89063	2.3
275.20166	2.3
277.21613	36.6
279.22821	3.7
283.15375	4.2
285.16968	30.7
289.21759	2.7
293.21170	4.4
295.22601	5.1
301.16415	9.5
303.23105	2.7
315.23203	3.2
333.24173	5.8
335.25812	21.0
351.25208	33.3
451.31857	2.9
469.32980	5.6
487.33865	5.2
517.35040	7.4
525.36163	2.8
527.37268	4.9
529.37518	3.1
535.35785	3.3
543.36786	23.8
544.37402	3.6
545.38635	11.1
561.29712	4.5
561.37744	71.3
579.39014	37.6
605.75232	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	579.2059
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03918	0.8
55.01847	0.8
55.05500	0.5
55.25401	0.3
57.03418	0.6
60.75907	0.3
65.03914	1.0
66.80384	0.3
67.05476	0.5
69.03407	2.2
70.71339	0.3
71.04952	0.4
71.35490	0.9
76.00412	0.3
78.04701	1.8
79.05463	1.7
81.03387	1.5
81.07027	0.7
83.04948	0.5
85.02883	3.2
87.04412	0.4
91.05447	1.3
93.03406	0.4
93.07016	0.5
95.04945	0.9
95.08619	0.3
97.02871	1.5
97.06503	0.6
103.05458	1.1
105.06998	0.9
106.04128	1.0
107.04928	1.1
107.55789	0.4
109.02852	1.0
109.06501	0.3
109.47937	0.3
110.03638	0.7
111.04433	0.8
115.05436	2.7
117.06995	5.1
119.08567	0.7
123.04401	6.7
124.05205	2.1
125.05980	0.6
127.03880	1.3
127.05418	1.0
135.04376	0.5
137.05913	0.9
139.03830	0.6
142.02596	0.6
143.07011	0.4
145.06461	10.2
151.03865	1.1
152.04622	1.8
153.01802	0.7
153.05437	0.5
155.05997	3.1
155.07108	0.5
161.05914	0.5
167.07007	100.0
168.07382	1.1
171.06442	1.6
173.05952	21.7
175.07556	0.9
181.04921	22.6
187.03937	0.4
193.08524	0.4
201.05434	0.6
205.08553	4.0
206.94281	0.3
207.10141	0.5
219.06364	0.4
233.08064	5.5
235.09605	3.8
235.13165	0.5
294.07706	0.6
369.12933	0.4
387.14319	16.9
388.14932	0.4
399.07071	0.4
417.15417	11.8
444.29089	0.4
579.20624	67.8
580.20862	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01865	3.1
56.96552	0.8
57.03421	1.8
61.02917	1.3
61.12722	0.4
65.03930	0.6
67.01849	0.8
67.05486	0.8
68.99783	3.9
69.03416	7.8
69.07039	0.5
69.42664	4.3
70.03806	0.4
70.06571	0.6
71.04980	0.8
72.80230	0.4
73.02896	1.9
77.03900	0.5
79.01825	0.7
79.05467	0.8
81.03407	4.1
81.07060	0.5
83.04971	1.0
84.96003	0.4
85.02892	14.4
86.03239	0.8
87.04489	1.0
89.03899	1.0
91.05454	0.6
93.03418	0.9
95.04950	1.4
97.02882	6.4
98.21188	2.0
98.97569	1.3
99.04420	2.3
103.05432	0.7
107.04920	3.3
109.02852	4.1
111.00790	1.8
111.04431	2.5
115.03901	0.8
116.98625	1.2
117.03333	0.7
119.01895	2.5
119.04934	1.6
121.01622	0.5
121.02036	0.5
121.02846	4.6
123.04411	35.4
124.04773	0.5
125.02391	0.7
127.03899	100.0
128.04224	1.2
131.01878	1.4
131.04918	1.7
133.03537	0.5
133.06367	0.5
134.99693	0.8
135.04398	24.4
137.02280	2.3
137.05957	1.4
139.03885	40.2
140.04283	0.5
141.07013	0.7
143.01859	2.8
143.03482	0.8
143.04871	0.7
145.03467	2.0
145.04950	4.3
145.06091	0.6
145.06459	0.6
146.99667	0.6
147.04379	5.2
149.01213	0.8
149.02277	3.5
149.05988	1.8
151.02647	0.5
151.03870	8.6
153.01813	18.4
153.06931	0.7
154.02180	0.9
155.01898	0.7
155.04854	0.5
157.03464	1.4
157.06447	0.6
158.99629	0.6
159.04454	1.6
161.02969	2.7
161.05884	2.4
163.03883	30.3
164.04175	0.9
165.04120	0.8
165.05432	5.3
167.01968	0.9
167.03371	8.4
167.07056	1.3
169.03439	0.7
169.06496	1.4
170.03300	0.4
171.04958	0.9
173.02904	2.7
173.05960	2.3
175.02612	0.5
175.03868	2.6
177.00677	0.9
177.05431	2.9
179.03383	3.4
181.04903	1.1
181.06404	0.7
183.04892	0.5
185.02943	3.0
185.06001	1.4
187.03848	4.4
187.07555	0.7
189.00787	0.5
189.05544	2.0
191.03378	10.5
193.04973	3.2
195.05054	0.5
195.07045	0.7
197.02974	1.3
197.05919	2.6
199.04399	0.7
201.05452	5.0
203.03380	7.3
203.07010	1.5
205.05016	2.9
205.55623	0.5
207.06567	0.7
211.00842	0.8
211.04578	0.5
213.05542	1.4
215.03712	1.0
215.07143	2.0
217.05164	1.0
217.55652	0.5
219.01814	0.9
219.07124	1.4
221.05075	1.0
225.05522	1.4
227.03810	0.5
229.04959	5.9
231.01949	0.7
231.06758	2.5
233.04417	5.2
236.05125	0.6
236.07208	1.7
236.57112	1.6
237.02594	0.8
237.05983	7.1
237.07907	1.2
237.57912	1.2
241.05020	1.4
243.01939	0.5
243.06459	3.5
244.58571	0.7
245.04813	7.9
246.05565	1.8
247.06021	13.8
249.08160	0.6
251.05421	1.9
253.01993	0.9
253.04881	0.9
255.06577	1.4
256.06879	0.5
257.04474	8.6
258.04947	0.7
259.01596	0.7
259.06015	9.0
261.03000	0.6
261.07944	0.7
263.06116	0.6
269.04453	2.1
271.01556	1.0
271.05960	17.0
272.06622	0.6
273.07861	1.6
273.58167	0.8
275.05463	15.5
276.06119	0.6
281.07053	0.9
283.06033	5.7
285.07700	0.7
287.05457	17.6
289.02371	1.3
289.07043	14.3
289.10114	0.9
291.08606	11.9
299.05460	3.9
301.07047	11.1
303.01303	1.6
303.08707	2.6
305.07202	0.7
309.08441	0.8
315.00418	2.0
318.08484	1.4
321.10458	3.0
322.10480	0.8
326.08057	0.6
326.59842	0.9
327.08594	5.2
327.59229	1.5
333.01404	1.5
333.09644	0.6
335.08148	0.6
345.01755	0.6
351.11276	1.1
357.01581	1.4
365.09189	0.9
366.50998	0.5
375.02594	1.0
399.07758	0.7
407.61972	0.5
408.10428	2.5
409.09106	20.9
410.09430	0.5
411.10754	2.7
417.03543	0.7
417.13928	0.5
421.08960	1.1
425.11407	0.6
427.10107	7.6
435.10620	0.6
439.10187	0.9
445.12039	1.4
473.11533	1.6
477.53583	0.5
519.11011	0.6
579.14410	1.3
579.23285	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	579.149
Annotation	ent-Epicatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
55.01875	1.8
56.20748	0.8
65.03946	0.7
68.99786	5.2
71.04942	2.0
71.05281	1.5
79.05476	1.6
81.03400	3.1
85.02895	1.4
91.05470	0.9
95.04961	2.3
97.06511	0.7
99.04436	0.8
103.00109	0.7
103.22153	0.7
105.03360	1.3
107.04942	2.2
109.02869	2.9
111.00768	3.9
111.04419	3.8
113.98891	0.9
119.04958	1.6
120.67790	0.8
121.02857	2.7
123.04413	55.0
125.29450	0.9
127.03898	100.0
127.76687	0.7
131.04810	0.8
133.06456	0.7
135.04391	26.6
137.02332	4.6
137.05934	1.3
139.03885	66.1
141.06961	1.0
143.04906	0.9
145.06467	1.1
147.04384	8.3
149.02287	4.2
149.05977	0.8
151.03886	13.4
153.01823	1.9
159.04404	3.4
161.05956	3.4
163.03883	38.4
165.05452	7.3
167.03394	8.0
173.06044	2.1
175.03848	3.7
177.05495	4.1
177.06879	0.8
179.03326	4.2
181.05003	1.6
181.06528	1.4
185.05972	1.3
187.03854	5.6
189.05447	2.8
191.03380	13.6
193.04962	3.6
197.05948	2.7
201.05481	8.2
203.03392	10.3
203.07080	1.0
205.04997	4.2
207.06506	1.3
213.05510	2.6
215.03473	1.6
215.07053	2.2
217.05035	1.9
219.06425	1.1
225.05513	1.4
229.04890	8.7
231.06447	2.8
233.04425	7.9
237.05397	1.5
241.04842	1.4
243.06516	5.3
244.99434	0.8
245.04401	8.6
247.06000	29.0
251.05489	1.9
253.04945	1.8
255.06581	1.6
257.04410	17.0
259.06012	15.3
265.04993	0.8
269.04492	3.4
271.05984	20.6
273.07550	2.0
275.05478	23.8
283.05939	9.7
285.07608	1.5
287.05463	31.5
289.06982	17.7
291.05630	1.5
291.08612	21.0
297.07327	1.6
299.05499	5.9
301.07043	22.8
303.05502	0.8
303.08450	4.9
311.05344	0.9
313.06958	1.6
333.09576	1.4
373.09012	0.9
409.09128	42.5
410.09445	0.9
411.10892	3.9
421.09253	2.6
427.10175	16.4
435.10706	2.1
439.10217	3.0
453.11969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1488
Annotation	ent-Epicatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
51.55745	0.4
52.93190	0.4
54.22338	0.4
55.01866	0.8
55.39481	0.4
65.03930	0.7
67.01848	0.8
67.05489	0.8
68.99772	3.6
70.02530	2.4
74.89935	0.4
81.03390	2.1
89.03882	0.5
95.04948	1.1
99.04424	1.1
105.03310	0.4
107.04929	1.9
109.02855	2.3
109.03609	0.4
111.00773	2.1
111.04427	1.6
115.05407	0.6
117.03355	0.5
118.18685	0.5
119.04890	0.9
121.02861	1.1
123.04410	33.0
126.64336	0.4
127.03896	100.0
128.04253	0.7
129.06967	0.5
131.04921	1.3
134.45020	0.4
135.04393	25.8
135.10748	0.4
137.02328	1.7
137.05975	0.7
139.03879	38.9
141.01794	0.5
143.04950	0.5
145.02821	0.5
145.06538	0.6
147.04395	3.9
149.02322	4.0
149.05952	1.6
151.03879	7.4
154.34396	0.5
157.06496	0.5
159.04390	2.2
161.05934	2.7
163.03883	33.0
165.05470	5.3
167.03377	7.3
169.05092	0.7
169.06483	1.7
173.05933	2.1
175.03897	2.2
175.07556	0.5
177.05463	2.9
179.03375	2.6
181.04976	0.4
183.04485	0.6
185.05879	0.8
187.03815	4.5
187.07573	0.6
189.05455	2.1
191.03374	8.5
193.04936	3.3
197.06012	3.1
198.98428	0.5
201.05440	5.4
201.83417	0.5
203.03352	6.1
203.07025	1.5
205.04987	2.8
207.06548	0.9
213.05432	1.0
215.03447	1.1
215.06999	3.0
217.04916	1.0
219.06419	0.6
222.91539	0.5
225.05470	1.2
229.04877	5.3
231.06467	1.5
233.04442	5.3
241.04967	1.2
243.06468	5.0
245.04395	5.4
247.06012	12.4
251.05518	1.8
253.04941	0.9
255.06531	1.6
257.04413	7.9
258.05173	0.6
259.05957	8.2
261.07681	0.6
269.04431	2.0
271.05969	19.7
273.07458	0.9
275.05441	14.7
283.05978	5.8
287.05447	16.9
289.07010	14.9
291.08578	13.6
297.07483	0.8
299.05487	3.1
301.07025	10.9
303.08612	2.2
391.08167	0.5
409.09116	24.2
410.09457	0.8
411.10580	2.5
421.08963	0.9
427.10202	6.9
439.10266	1.0
468.47565	0.5
579.14001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34447	1.9
53.03926	2.8
55.01869	12.4
55.05505	35.3
57.03437	14.3
57.07057	5.4
65.03922	4.4
67.05495	88.3
69.03402	3.5
69.07060	30.0
70.68974	8.5
71.04990	14.9
79.05482	66.0
81.03405	22.9
81.07044	100.0
81.19728	2.0
83.04967	11.3
83.08606	22.5
85.06525	10.9
91.05464	55.6
93.06460	4.4
93.07029	68.9
93.07619	3.6
95.04964	23.2
95.08591	67.4
97.06543	14.3
97.10159	16.9
99.08095	4.0
105.07021	49.7
107.04893	5.4
107.08574	43.8
109.06497	6.1
109.10143	28.1
110.25321	1.9
111.08051	9.9
115.05517	2.7
117.07013	21.0
119.08564	44.1
121.06493	5.3
121.10121	33.0
123.08043	9.7
123.11679	11.5
125.09610	14.5
128.06195	2.3
129.06996	12.4
131.08548	32.9
133.10109	26.9
135.07994	6.3
135.11688	18.2
137.09595	4.2
137.13269	3.9
139.11122	3.7
141.06992	3.3
142.07796	3.1
143.08545	13.8
145.10086	28.2
147.08012	4.5
147.11652	22.5
149.09561	7.8
149.13246	9.8
153.12723	2.6
155.08505	5.9
157.10115	13.9
159.07962	2.0
159.10422	3.2
159.11656	21.6
161.09607	4.0
161.13222	9.4
163.11147	4.6
163.14734	2.6
165.12691	3.7
167.10690	3.1
169.10097	7.3
171.11673	15.0
173.13263	11.3
175.11177	7.0
175.14857	5.3
177.12762	3.5
179.14326	4.0
181.10141	4.3
183.11649	7.0
185.13235	10.5
187.13281	2.3
187.14778	6.5
189.11191	7.5
189.12775	3.3
189.16370	3.0
193.12222	7.5
195.11795	2.6
195.13771	3.4
197.13260	4.9
199.13174	2.3
199.14825	6.6
209.13319	2.8
210.52386	2.2
211.13127	3.2
211.14848	3.1
227.12708	16.5
227.18100	2.7
239.16383	2.7
247.17004	2.5
259.20737	3.7
261.22122	6.9
267.15839	26.7
269.17419	8.0
273.18423	3.2
275.20029	4.5
279.23221	2.2
285.22171	3.1
287.23526	4.3
289.21594	5.8
291.19476	11.0
299.23923	2.4
301.25311	7.8
303.23157	4.4
333.24393	2.7
335.25708	15.1
353.87067	2.1
359.25540	2.9
363.25388	5.7
365.23230	5.2
369.23755	2.5
399.77197	2.5
417.31409	3.4
435.27444	2.7
435.32437	15.4
453.33469	13.5
471.34467	9.0
509.35724	7.8
527.37244	72.9
545.38306	65.4
559.37311	12.0
577.41290	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	577.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.7
55.01862	9.7
55.05508	38.6
57.03431	15.1
57.07066	3.1
59.04984	2.5
63.51252	1.6
65.03938	2.8
67.05496	87.9
69.03404	5.5
69.07062	32.3
71.04977	11.8
71.08613	8.2
76.06671	2.0
79.05484	66.4
79.05949	3.2
81.03407	20.8
81.07044	100.0
82.07362	2.1
83.04985	14.2
83.08612	26.5
85.02889	5.2
85.06525	11.0
91.05463	58.4
92.05819	2.1
93.07032	69.2
94.07354	4.2
95.04959	21.0
95.08591	60.1
95.50459	1.7
97.06504	14.4
97.10158	17.4
98.21527	3.2
99.08067	6.4
103.05447	2.1
105.04451	2.1
105.07012	55.4
107.04944	8.9
107.08575	46.5
109.06509	7.8
109.10133	28.2
110.10487	2.4
111.04453	2.7
111.08052	4.9
113.09631	1.6
115.05447	3.1
117.07001	19.2
119.08558	39.4
121.06487	7.2
121.10115	29.9
122.10404	2.5
123.08037	8.9
123.11681	10.3
125.05907	1.8
125.09597	14.7
128.06224	3.1
129.06998	14.1
131.08556	31.3
133.06470	5.0
133.10118	33.3
135.08047	7.9
135.11658	15.8
137.09593	4.3
137.13290	3.6
139.11183	3.3
141.06990	3.3
142.07776	3.3
143.08549	11.6
145.10097	21.8
147.07986	4.5
147.11653	22.5
149.09589	8.4
149.13237	10.2
151.11172	8.3
153.09081	3.2
155.08511	5.5
157.10106	14.0
159.11679	21.4
161.09578	4.5
161.13263	11.0
163.11168	7.3
163.14847	4.3
165.12741	4.0
169.10121	6.8
171.11618	10.0
173.13165	13.2
175.11156	6.6
175.14763	5.5
177.12802	4.9
179.10686	2.1
181.10100	3.1
181.12346	2.8
183.11699	5.9
185.13278	7.9
187.11082	2.0
187.14818	3.9
189.11198	9.3
189.12735	3.3
189.16373	2.3
193.12172	13.3
195.11623	3.2
195.13741	2.6
197.13287	2.9
199.11223	2.1
199.14841	3.6
201.16434	3.0
211.13283	7.1
211.14984	2.2
215.85370	1.7
219.13821	4.5
225.16412	2.4
227.12706	15.3
229.14362	2.8
237.16322	2.2
245.19026	2.5
249.14862	2.6
253.14252	5.6
257.18927	2.8
259.20593	5.2
261.22125	6.8
267.15891	26.1
268.16214	2.7
269.17410	6.9
273.18460	6.2
273.21896	2.3
275.20078	8.8
277.21521	3.0
285.17105	2.7
285.22009	2.4
287.20380	2.3
287.23401	2.4
289.21600	3.9
291.19604	11.4
291.22437	1.9
293.21048	25.8
297.21875	2.6
299.14890	3.7
299.23813	2.9
301.25208	8.0
315.23047	1.9
333.24466	2.9
335.25735	16.6
349.23511	3.6
359.25827	2.1
363.25299	4.4
365.23215	6.1
417.31433	4.9
421.25903	2.4
435.27386	2.1
435.32443	10.8
453.33725	11.3
465.28156	3.4
471.34427	7.3
509.36057	6.2
519.36298	2.0
527.37177	52.2
528.38190	2.4
541.35120	7.2
545.38275	41.5
546.38495	4.4
559.35626	27.5
560.36475	3.6
577.37036	30.1
578.37128	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01860	13.0
55.05499	25.5
57.03434	9.2
57.07062	3.0
65.03923	3.3
67.05495	56.1
69.03405	2.9
69.07058	25.2
71.04971	6.1
71.62758	1.7
79.05479	51.5
81.03403	9.8
81.07045	100.0
82.07378	2.1
83.04951	10.3
83.08608	15.6
85.02890	2.7
85.06525	5.5
86.51604	1.1
91.05467	49.5
93.07026	41.2
93.07613	1.5
95.04961	11.7
95.08593	36.9
97.02863	1.5
97.06516	22.5
97.10149	9.4
99.08078	6.5
99.08644	1.4
103.05445	1.3
105.07017	57.7
106.07381	1.3
107.04945	18.4
107.08576	36.2
109.06501	11.2
109.10144	15.8
111.04456	2.0
111.08051	4.1
113.05992	1.3
115.05428	1.8
117.07012	10.7
119.08569	43.1
121.06486	5.3
121.09303	2.2
121.10123	28.5
123.08065	7.1
123.11689	20.5
125.09605	7.2
127.07561	2.0
129.05473	1.4
129.06973	3.9
131.08556	17.1
132.08855	1.7
133.06447	1.5
133.10107	23.7
135.08038	5.2
135.11673	8.6
137.09622	4.8
137.13240	3.0
139.11211	2.2
141.07047	1.3
141.09091	1.4
142.07771	1.5
143.08557	4.4
145.06532	1.6
145.10103	16.2
147.08047	2.4
147.11665	52.8
149.09605	19.4
149.13240	4.6
151.11165	4.7
153.09058	1.2
155.00940	1.3
155.08551	1.8
157.10133	6.6
159.07967	2.0
159.11694	11.2
161.09567	2.0
161.13272	5.8
163.11183	9.8
163.14792	1.4
165.09090	1.3
165.12721	17.7
169.10184	1.7
171.10275	2.0
171.11697	4.0
173.09534	1.9
173.11931	1.2
173.13222	6.0
175.11191	4.1
175.14737	1.6
177.12737	3.6
179.14326	3.6
181.10107	1.6
183.11736	3.3
183.13809	3.4
187.11209	2.2
187.14810	1.4
189.11212	3.9
189.12784	1.3
193.12241	4.0
197.13278	2.5
201.12637	1.6
209.11627	2.0
211.13190	2.9
217.15808	1.3
227.12697	9.0
229.14253	3.3
229.19389	2.0
239.18002	4.4
247.20576	3.8
253.14264	1.7
257.18945	10.5
259.20612	1.4
261.22046	1.5
267.15887	42.2
275.20010	74.6
276.20383	1.7
283.15317	2.2
285.16928	36.6
291.19479	2.9
293.21085	11.6
331.22781	2.2
333.24252	1.7
335.25867	1.4
349.23679	44.2
367.24622	1.9
381.22745	2.0
435.66800	1.4
437.25388	2.6
455.26080	2.6
463.30399	2.1
479.29788	2.3
485.32455	1.8
541.34784	4.0
559.36145	43.0
577.21552	1.7
577.37054	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	577.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.4
53.03933	6.0
55.01666	1.1
55.01864	14.6
55.05503	38.4
57.03430	11.7
57.07060	3.4
58.67482	1.3
65.03921	4.8
67.05497	68.1
69.03419	7.4
69.06712	2.7
69.07056	33.0
71.04989	7.3
74.09711	2.0
79.05482	66.2
81.03408	41.2
81.07046	100.0
82.07362	2.3
83.04968	22.6
83.08606	28.7
85.02902	18.1
85.06517	5.8
86.77666	1.4
91.05472	66.5
93.03294	1.4
93.07031	60.4
95.04950	27.5
95.08595	44.9
97.02882	3.1
97.06519	22.7
97.10142	11.8
99.08048	4.2
103.05407	2.5
105.07015	70.8
106.07331	3.1
107.04942	18.2
107.08585	38.2
109.06503	13.8
109.10139	19.9
111.04391	3.6
111.08084	12.3
113.05969	3.9
115.05425	3.9
117.06981	16.1
119.08571	52.4
121.06495	7.2
121.10120	18.4
123.08049	9.6
123.11687	9.4
125.09623	12.0
126.91508	1.4
128.06184	2.2
129.06984	16.2
131.08551	26.2
133.06491	3.8
133.10107	31.4
134.10501	1.5
135.08072	9.4
135.11679	9.9
137.09578	8.4
139.11154	1.8
142.07735	2.0
143.08537	6.1
144.66666	1.5
145.10106	17.9
147.08040	5.6
147.11674	26.2
149.02318	4.4
149.09587	17.8
149.13223	6.8
151.11119	3.6
155.08568	4.1
157.10101	17.1
159.08028	2.1
159.11668	13.6
161.09662	2.8
161.13235	5.2
163.11156	9.5
163.14771	2.0
165.08974	2.3
165.12737	3.6
169.10091	4.4
171.11670	5.3
173.09584	1.8
173.11885	1.9
173.13213	7.9
173.64287	1.4
175.11143	10.5
177.12738	3.4
179.14279	3.9
181.12384	1.9
183.11618	2.8
185.13181	1.7
186.96017	1.6
187.11214	2.0
187.19913	1.5
189.11194	4.5
189.12767	2.0
193.05014	3.4
193.12213	31.8
197.13271	3.6
201.12729	2.1
203.14259	1.5
207.13809	1.4
211.13251	47.6
219.00027	1.6
219.17436	1.7
227.12709	10.8
229.19432	3.2
231.17288	1.4
233.15373	2.0
239.17958	4.2
247.20581	4.6
253.14160	2.9
257.18970	6.3
267.15887	21.9
269.17468	3.6
273.18396	2.6
275.20016	63.1
276.20209	2.5
277.21527	2.6
283.15317	2.2
285.16919	31.7
291.19464	3.8
293.21167	8.1
299.19830	1.6
315.23215	1.8
331.22598	3.5
349.23676	34.2
349.28012	1.8
461.29037	3.4
467.31519	3.5
479.30017	13.4
485.32788	3.4
523.34192	2.2
541.35083	16.6
559.36218	40.8
560.37183	1.9
577.37213	35.0
577.51538	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	577.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53751	1.5
53.03936	8.8
55.01617	2.3
55.01864	33.9
55.05258	2.6
55.05504	40.6
57.03426	20.0
57.07060	5.3
59.04974	1.8
60.23669	1.7
63.83754	1.6
65.03922	5.2
67.05492	86.7
69.03407	6.5
69.07055	44.3
70.36599	2.1
70.36948	6.0
71.04980	8.7
71.08627	3.4
73.02885	1.8
74.09686	1.5
76.70528	1.4
76.74207	1.7
79.05478	69.8
81.03404	52.6
81.07042	90.5
81.57392	1.9
83.04968	24.0
83.08604	32.8
85.02894	18.5
85.06522	5.6
91.05465	94.9
93.07027	69.4
93.07623	3.6
95.01312	3.8
95.04353	3.2
95.04952	38.5
95.08591	50.2
97.02876	3.4
97.06514	52.1
97.10157	15.4
98.98436	2.6
99.04422	1.7
99.08083	4.6
103.05424	2.9
105.07013	87.2
107.04930	23.5
107.08575	39.2
109.06489	10.8
109.10133	31.0
111.04445	3.3
111.08053	15.3
113.06029	3.0
115.05450	5.9
117.07005	25.9
119.08557	62.7
121.06522	10.9
121.10117	24.8
123.08037	11.5
123.11705	6.9
125.09626	13.3
128.06221	2.7
129.06976	19.6
131.08559	36.7
133.06523	5.5
133.10104	44.9
135.08002	7.9
135.11674	14.5
137.09579	8.1
139.07506	3.3
139.11147	3.4
141.06963	2.8
142.07788	3.2
143.08580	12.0
145.06483	3.6
145.10097	28.2
147.08049	7.2
147.11655	30.5
149.09599	20.4
149.13278	8.0
151.11174	7.2
155.01018	2.3
155.08502	5.4
155.67220	1.6
157.10097	20.7
159.08052	4.6
159.11662	19.3
161.09584	3.2
161.13264	9.9
163.11124	13.7
165.09073	3.5
165.12779	4.7
167.10664	2.8
169.10135	4.8
171.11642	8.2
173.09567	2.7
173.11827	3.2
173.13257	9.4
175.11143	13.7
175.14841	3.2
177.12732	4.1
179.14304	11.2
181.10153	2.6
181.12131	2.0
183.11697	4.6
185.13297	4.1
187.11166	5.4
187.14838	3.5
189.11235	6.2
191.10637	2.0
193.12215	35.2
197.13152	4.0
199.14870	3.4
201.12766	3.3
205.12225	1.8
205.15952	1.9
211.13254	40.4
213.16357	2.0
217.14320	2.0
219.13875	2.2
227.12749	8.7
229.14375	5.3
229.19591	3.2
233.18929	2.2
239.17865	2.6
247.20605	6.5
257.18967	10.1
259.20578	4.0
267.15875	34.1
269.17487	3.6
273.18481	3.3
275.20010	100.0
276.20410	3.5
277.21722	2.8
283.15314	2.0
285.16901	53.0
291.19501	10.6
293.21069	22.0
293.24142	1.9
313.21518	2.5
325.21481	3.3
331.22574	3.0
333.24158	1.8
347.21982	2.1
349.23694	38.5
367.24826	4.0
449.30090	4.8
467.31616	3.7
479.30045	6.6
485.32523	4.8
515.33612	4.1
523.34186	2.6
541.35187	32.5
559.36200	80.7
560.36017	3.3
577.37305	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	577.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34193	1.6
53.03934	10.6
55.01865	24.0
55.05503	45.2
56.56626	1.7
57.03428	20.0
57.07074	3.0
59.04982	1.8
65.03920	5.0
67.05495	95.6
69.03410	7.5
69.06709	3.3
69.07060	37.9
70.18314	3.6
70.18703	3.3
71.04970	9.8
71.08596	1.9
76.44080	1.6
77.03899	2.0
79.05479	75.5
81.03406	63.8
81.07045	100.0
83.04968	22.2
83.08602	38.7
85.02888	19.1
85.06533	6.3
91.05466	79.4
93.07030	68.1
93.87515	1.6
94.07304	1.8
95.04955	39.6
95.08589	50.9
97.02876	4.2
97.06515	33.2
97.10145	20.3
98.20808	2.4
99.04420	2.2
99.08068	2.9
103.05413	2.5
105.04485	3.2
105.07018	70.0
107.04936	28.2
107.08579	47.4
109.06507	18.5
109.10133	35.6
111.04426	4.1
111.08073	14.5
113.06022	2.2
115.05402	4.2
117.06994	18.1
119.08565	60.8
121.06490	9.2
121.10120	32.7
123.04453	2.5
123.08062	10.4
123.11666	8.5
125.05999	2.1
125.09608	16.4
128.06175	2.7
129.06981	19.7
130.07788	3.3
131.08549	30.5
133.06482	4.5
133.10106	37.2
134.10687	1.8
135.08064	9.3
135.11670	12.1
137.09645	10.3
139.11147	3.8
141.07027	4.2
142.07794	5.3
143.08556	7.7
145.06477	4.6
145.10106	23.8
147.08038	5.8
147.11656	44.8
149.09590	34.4
149.13271	6.3
151.11134	6.2
153.12753	3.4
155.08540	5.4
157.10091	21.0
159.08009	3.0
159.11659	17.4
160.27672	1.6
161.09613	4.1
161.13246	6.5
163.11105	12.1
163.14859	2.8
165.09169	1.9
165.12761	10.1
169.10072	4.9
171.10249	2.5
171.11661	8.1
172.36917	1.8
173.09627	3.7
173.11769	4.0
173.13242	12.1
175.11159	18.8
175.14745	2.0
177.12743	5.1
181.12299	2.0
183.11617	5.8
185.13255	4.5
187.11198	2.8
187.14774	3.5
189.11214	10.4
189.12694	3.0
189.16284	8.3
191.10562	2.5
191.14275	2.9
193.12218	46.5
195.13838	2.2
197.13179	5.3
199.14835	2.6
201.12677	2.4
201.16327	2.2
207.17343	3.4
211.13235	57.6
211.15163	3.3
213.16367	2.5
215.17943	3.3
227.12708	18.6
229.14244	2.5
229.19423	4.3
231.17250	2.0
233.15381	2.2
239.17961	4.9
245.13864	4.7
246.99313	1.8
247.20508	5.1
257.18936	10.8
267.15884	33.0
269.17310	1.9
275.20032	81.8
285.16895	41.6
291.19373	2.8
293.20978	11.1
299.19928	2.8
315.23215	2.7
327.22934	2.0
331.22498	3.3
349.23669	53.3
367.24893	4.6
381.22833	2.5
396.92831	2.1
397.31003	5.4
415.31952	5.4
433.33319	2.4
447.27222	2.5
449.30209	4.9
455.26352	4.0
461.28955	3.7
467.31561	5.3
479.29926	8.6
485.32770	3.3
523.33752	3.5
541.35248	25.0
559.36304	58.0
577.37305	50.3
577.50977	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	577.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.7
53.03928	8.1
54.78189	1.7
55.01866	24.7
55.05503	40.2
57.03435	14.3
57.07056	2.9
65.03921	5.5
67.05497	71.2
68.05839	1.5
69.03423	9.0
69.07060	32.4
69.57256	12.2
71.04976	8.1
74.09735	1.4
79.05483	72.1
81.03407	55.6
81.07046	85.5
83.04972	19.8
83.08129	3.3
83.08606	37.6
85.02895	19.6
85.06530	5.2
91.05470	67.1
93.07033	60.9
95.04961	34.1
95.08597	42.2
97.02882	3.1
97.06522	36.2
97.10149	13.6
105.07021	65.7
107.04947	29.1
107.08582	49.3
109.06485	14.5
109.10130	24.1
111.04425	3.2
111.08086	13.4
113.05982	2.2
115.05434	3.7
117.07006	19.8
119.04836	1.7
119.08568	53.1
121.06500	8.8
121.10131	24.7
123.08044	10.0
123.11678	11.3
125.09607	15.3
127.07513	2.1
127.11099	1.7
127.15388	1.6
127.48100	1.5
128.06207	3.7
129.06990	18.2
131.08556	32.2
133.06462	6.0
133.10112	37.9
135.08035	11.2
135.11653	11.0
137.09650	7.5
141.06946	3.6
142.07767	3.7
143.08554	6.6
145.06505	4.1
145.10114	26.1
147.08057	5.5
147.11659	32.1
149.09608	36.0
149.13240	5.6
151.11153	5.6
155.08545	3.6
157.10117	17.9
158.47833	1.7
159.08061	2.3
159.11684	14.1
161.13254	7.4
163.11151	11.7
165.09135	2.1
165.12761	7.2
169.10112	4.4
171.11700	6.0
173.09579	2.4
173.11815	2.7
173.13246	6.5
175.11148	17.0
177.12750	4.7
179.14287	3.0
181.12178	2.2
183.11661	4.3
185.13222	3.2
187.11140	4.6
187.14807	1.8
189.11171	11.2
191.14256	3.2
193.12212	39.6
195.11703	2.0
197.13251	4.8
201.12685	1.7
205.12201	3.0
205.15941	1.5
211.13258	58.0
211.15239	3.0
219.13760	2.1
219.94046	1.7
227.09157	1.7
227.12727	20.8
229.14226	2.7
229.19470	3.6
233.15190	1.8
236.15488	1.7
239.17905	3.6
245.13786	2.4
247.20531	4.9
257.18927	16.2
267.15848	28.0
275.20023	100.0
276.20328	2.2
285.16925	39.7
291.19498	4.0
293.21033	10.7
315.23126	2.6
317.21149	2.0
331.22461	3.6
349.23682	57.1
350.24350	1.8
367.24728	3.2
381.22629	3.8
431.29083	1.9
437.25311	3.8
445.29489	1.8
449.30157	4.5
455.26379	3.4
461.28772	3.5
463.30450	4.3
465.11841	1.7
467.31607	3.8
479.29922	6.2
485.32587	2.3
541.35272	26.2
559.36176	49.1
560.36206	2.0
577.29260	2.3
577.37299	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.2
55.01862	6.3
55.05501	17.3
57.03425	9.1
57.07052	2.1
59.04975	1.5
65.03913	2.0
66.49093	0.8
67.05491	45.8
68.05810	1.6
69.03407	3.0
69.06730	0.9
69.07061	15.9
71.04992	5.2
71.08618	1.0
71.62355	1.4
72.16207	1.0
72.26328	0.9
73.02908	1.2
74.09740	0.9
79.05478	36.4
81.02917	1.2
81.03405	35.7
81.07043	55.5
82.03742	2.3
83.04967	11.4
83.08605	18.9
85.02892	12.7
85.06518	4.1
91.05465	32.3
92.05783	2.2
93.07029	42.7
94.07332	1.8
95.04956	19.6
95.08591	22.4
95.09164	1.0
97.02854	1.8
97.06515	13.5
97.10155	6.6
98.98429	4.5
99.00826	1.0
99.04431	1.2
99.08063	2.8
105.07012	27.8
106.07334	2.0
106.23132	1.0
107.04931	8.6
107.08576	27.8
109.02823	1.5
109.06537	5.6
109.10132	9.8
111.04389	1.2
111.08051	9.9
113.05972	2.5
113.09631	1.2
115.05445	2.1
115.22709	0.9
117.06992	8.9
119.07780	1.7
119.08562	20.1
120.08858	1.6
121.06469	6.3
121.10119	15.5
123.08035	4.3
123.11680	3.6
125.09606	4.5
128.06166	1.0
129.06975	8.2
131.08543	16.5
133.06435	2.5
133.10104	18.1
134.10448	1.7
135.08020	3.9
135.11671	6.3
137.09619	2.6
142.07759	3.0
143.08484	2.8
145.10109	7.4
147.08051	2.4
147.11639	13.2
149.09607	11.4
149.13234	12.2
151.07573	1.1
151.11136	2.3
155.01018	2.4
155.08563	1.2
157.10110	9.3
158.10362	1.0
159.08101	1.0
159.11719	7.6
161.05919	0.9
161.09602	1.8
161.13222	2.2
163.11108	3.3
165.09293	1.0
165.12756	2.9
165.61658	1.1
167.07077	1.4
171.11639	2.3
173.09595	1.8
173.13240	2.5
175.11197	9.5
175.14665	1.0
177.12698	4.5
179.10556	1.4
179.14195	1.0
181.12085	1.0
185.13219	0.9
187.11314	1.2
189.09082	1.9
189.11122	2.7
189.12740	1.3
193.12207	26.4
194.12527	1.9
195.13759	5.0
197.13275	1.2
211.11295	1.6
211.13258	25.6
212.13747	1.0
227.12727	9.2
247.09602	1.7
249.14798	1.5
257.19016	2.7
259.20294	1.3
267.15894	18.6
268.16205	9.3
269.17410	6.9
275.20001	15.3
283.15262	1.1
285.16840	9.3
293.21036	1.7
297.21735	1.0
299.14795	3.6
300.15207	4.0
340.47186	1.0
347.12402	1.8
349.14087	2.3
349.23630	9.2
461.28900	16.9
474.25214	1.9
478.28467	1.8
479.29962	100.0
480.30115	2.8
492.26639	9.0
541.34784	4.7
559.36090	9.9
577.37158	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	576.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24540	4.3
55.05494	7.1
56.74802	4.4
57.03411	13.1
57.07078	28.0
67.05487	15.0
69.07041	7.1
69.69104	36.1
71.08625	20.5
75.65228	4.3
79.05473	8.8
79.73587	4.6
81.03404	52.0
81.07035	17.8
83.08588	23.4
85.10167	14.0
91.05476	9.8
93.07035	5.1
95.04945	13.6
95.08596	22.3
97.10130	6.5
98.21490	5.3
105.06998	9.2
107.04913	5.3
107.08544	5.2
109.10154	7.8
118.06160	4.1
119.08548	7.8
121.10127	6.2
129.06940	5.6
131.08507	6.9
147.11604	7.2
149.09615	5.5
157.10103	8.4
193.12181	25.7
240.42412	4.1
267.15857	100.0
297.10876	5.1
313.27313	79.9
505.38654	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	3.0
53.03922	4.4
55.01853	7.0
55.05257	2.2
55.05504	30.4
57.01426	1.6
57.03185	1.7
57.03428	18.0
57.07047	2.8
59.04994	2.3
59.56139	1.6
65.03919	2.6
67.05493	39.6
68.05832	2.5
69.03403	2.9
69.07053	13.8
71.01324	1.7
71.04977	4.2
71.62672	2.4
79.05482	33.2
80.05803	3.4
81.03405	79.3
81.07043	53.9
83.04972	11.3
83.08604	33.6
83.45888	1.4
85.02892	6.4
85.06512	5.0
91.05462	47.0
92.05797	4.3
93.06461	2.2
93.07028	34.0
94.07351	2.7
95.04955	26.1
95.08592	18.9
96.05310	1.7
96.08887	2.2
97.02878	8.1
97.06505	10.8
97.10145	7.7
98.98443	2.2
99.00799	12.3
99.04451	2.1
99.08084	3.5
103.05423	2.2
105.07007	34.9
106.07376	2.6
107.04945	15.7
107.08580	22.4
108.05251	2.1
108.08901	2.3
109.02847	7.9
109.06499	9.0
109.10144	12.8
111.04427	5.5
111.08058	13.4
113.05999	2.6
115.03896	2.6
115.05430	1.6
117.07013	8.0
119.04910	2.8
119.08572	25.2
121.06516	10.9
121.10127	14.0
122.96147	1.4
123.04429	1.8
123.08079	5.5
123.11697	4.8
125.09608	5.8
127.03916	3.6
127.07516	1.7
129.06987	12.8
131.08560	14.6
132.08926	2.0
133.06461	4.9
133.10109	37.9
135.07990	7.0
135.08994	2.0
135.11664	6.3
136.12041	2.1
137.05965	2.7
137.09573	4.7
138.69058	1.7
139.07433	2.3
142.07784	2.8
143.08528	5.9
145.06456	3.2
145.10101	8.7
146.10403	2.3
147.08034	4.9
147.11678	12.5
149.09604	8.1
149.13223	2.3
151.11221	8.4
155.08516	2.1
157.10117	12.8
159.11655	4.7
161.09604	15.8
163.11159	3.9
165.12794	2.1
171.08008	4.1
175.11171	10.9
177.12762	2.6
179.10661	7.2
189.09082	9.2
189.11102	3.4
191.10786	1.7
191.14429	1.5
193.12218	30.1
197.11676	2.2
205.08575	1.6
207.10052	2.2
209.11736	1.9
211.13245	10.9
219.13777	5.7
222.69388	1.5
225.11198	9.4
227.12737	6.8
228.13124	3.2
232.05179	1.7
249.14682	2.5
267.15872	100.0
268.16104	1.7
269.17435	2.8
273.18466	2.0
275.19852	3.6
276.06061	1.6
276.20404	3.7
281.13745	3.7
283.15359	3.7
284.15503	2.9
285.16977	5.1
299.14828	68.6
321.11121	1.9
349.23376	2.2
374.05719	1.7
381.20273	2.8
445.25568	6.9
459.27231	5.2
461.28745	5.6
463.26697	5.0
473.25162	19.1
477.28433	6.6
478.29007	2.4
479.29932	22.8
484.31061	2.5
491.26324	75.4
509.27142	2.9
535.23590	1.8
540.33832	3.7
558.35010	11.8
576.36133	16.2
576.50507	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	576.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.2
57.03432	0.8
59.04982	0.6
67.05486	1.7
69.03400	2.1
69.07053	1.2
70.59739	1.8
71.04980	12.7
73.02849	0.5
79.05474	1.6
79.47995	0.6
81.03397	1.6
81.07056	3.1
83.04958	1.2
85.02884	5.1
85.06532	2.3
91.05447	2.7
93.07012	2.7
95.04942	2.3
95.08591	2.1
97.02874	1.6
97.06485	1.5
99.04439	0.8
103.05476	0.6
105.07014	9.0
107.08547	3.2
109.02856	1.6
109.06500	1.8
109.10123	1.6
113.05987	2.1
117.06998	1.8
119.08565	12.3
121.10085	1.5
123.04390	0.7
123.08064	0.7
123.11673	2.8
127.03883	1.5
127.07561	6.0
130.07741	1.7
131.07018	3.9
131.08539	2.0
133.06491	6.8
133.10088	2.5
135.08014	0.6
137.05949	1.9
137.09618	0.7
143.08551	1.6
145.08569	23.1
145.10091	14.4
147.08029	1.6
147.11661	23.3
153.01823	1.0
154.02080	0.7
156.09305	4.2
159.08063	1.2
159.11559	0.6
161.09630	0.8
161.13184	0.7
167.06950	0.8
171.11700	4.6
173.08145	0.9
173.29622	0.5
174.10342	1.5
189.12714	100.0
190.13118	1.1
191.09094	7.2
191.10762	0.7
207.13719	6.7
317.06448	0.5
317.11862	0.6
335.13217	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	576.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03926	0.8
55.01861	0.5
57.03423	0.3
69.03422	2.8
71.04974	0.5
71.61196	0.3
71.61557	0.3
73.02898	0.4
79.01844	2.2
81.03406	6.6
85.02898	2.4
91.05446	0.5
97.02880	5.8
99.04424	1.0
103.05430	0.6
107.01306	1.0
107.04948	0.3
109.02859	5.2
109.35192	0.2
121.06525	0.2
123.00784	0.2
123.04453	0.3
125.02332	2.9
125.83739	0.2
127.03899	7.9
129.05453	0.5
131.04910	2.8
133.02783	0.7
135.04405	0.4
137.05948	0.8
143.03371	3.6
145.04964	1.6
149.05965	0.4
153.01807	100.0
154.02147	0.8
163.03859	0.4
163.07489	1.9
165.05475	0.9
167.07051	1.6
169.04939	0.4
171.02870	15.9
177.05435	1.4
179.06920	0.3
193.08609	0.4
197.08018	1.6
205.05063	0.2
209.08141	1.2
213.03871	0.3
219.06221	0.3
221.08064	0.8
227.07120	0.3
227.09207	0.4
231.06960	0.2
233.04224	0.3
233.07997	0.4
237.03937	0.5
261.99213	0.2
263.09119	0.5
279.04727	0.5
287.09109	0.6
297.06006	10.0
305.10022	0.2
315.07053	25.2
323.11014	0.3
373.13171	0.3
375.61111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.3
53.00306	0.3
53.03933	0.8
57.03429	0.5
59.04975	0.3
61.02911	0.4
69.03420	2.8
70.06583	0.3
71.04974	0.4
71.62341	0.4
73.02912	0.4
73.40093	0.2
79.01848	1.6
81.03406	6.1
85.02888	2.9
91.05447	0.3
93.06983	0.3
96.78368	0.2
97.02879	5.0
99.04430	0.9
105.07088	0.3
107.01294	0.9
107.04915	0.3
109.02865	5.1
109.06505	0.4
109.32159	0.2
119.04903	0.3
125.02332	2.5
127.03906	7.2
131.04919	0.4
133.02844	1.3
135.04369	0.3
137.05968	0.7
143.03384	3.8
145.04955	1.5
147.03035	0.2
147.04350	0.3
149.06003	0.4
151.03877	0.3
153.01811	100.0
154.02164	0.3
165.05444	1.5
167.07022	2.4
171.02873	16.8
173.13187	0.2
177.05461	0.8
197.08070	2.5
206.08257	0.3
207.06485	0.3
209.08051	0.7
221.08076	0.6
233.08040	0.4
263.09070	0.4
264.09488	0.3
279.05096	0.7
282.10175	0.5
287.09085	0.7
297.06024	10.2
297.09363	0.6
298.06381	0.2
305.10260	0.4
315.07056	26.6
378.03918	0.2
382.83478	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81771	1.3
51.02386	1.6
52.45556	1.5
53.03938	6.9
55.01866	18.2
55.05505	46.5
57.03433	14.7
57.07067	3.0
59.04985	2.8
59.92323	1.7
65.03930	3.1
67.05497	61.5
69.03426	10.8
69.07059	42.6
69.50790	10.1
71.04981	5.6
79.05486	64.3
81.03409	38.7
81.07049	74.4
83.01350	4.0
83.04967	18.0
83.08606	28.0
85.02893	17.0
85.06529	6.0
87.04462	1.5
88.95096	1.3
91.05469	55.3
93.07034	49.8
93.07619	2.9
95.01401	1.4
95.04962	27.2
95.08593	33.0
97.02874	7.4
97.06526	21.3
97.10162	25.4
99.08041	1.6
99.86719	1.8
105.04524	1.6
105.07019	46.5
107.04951	21.3
107.08583	34.9
109.06504	10.1
109.10152	16.0
109.49588	1.4
111.04433	2.9
111.08073	8.9
113.06035	2.3
115.05441	2.9
117.07019	18.8
119.04943	3.3
119.08568	40.1
121.06501	8.6
121.10130	20.7
123.04437	2.0
123.08046	13.8
123.11703	6.2
125.05971	1.8
125.09617	24.0
129.07010	13.1
131.08560	23.9
133.06473	4.5
133.10109	22.7
135.08047	9.5
135.11693	8.2
137.09637	6.2
139.11096	1.5
141.06981	3.1
141.77676	1.6
142.07782	2.2
143.08559	7.8
145.06482	3.4
145.10106	27.0
147.08029	12.1
147.11674	20.9
149.09604	17.6
149.13281	3.2
151.11147	3.5
153.09108	2.5
153.12781	1.9
155.08572	4.8
157.10109	14.0
159.08041	2.3
159.11665	9.7
161.09641	5.2
161.13269	2.6
163.11157	15.0
165.09117	3.5
165.12796	5.0
167.08600	1.8
169.10092	3.4
169.12306	2.5
171.10327	1.9
171.11693	6.3
173.09584	2.5
173.13226	3.2
175.11163	10.4
177.12723	3.3
181.10043	1.5
181.12292	2.1
183.11745	3.9
185.13232	3.3
187.11180	2.7
187.13326	1.8
189.11194	11.9
189.12695	2.2
191.10532	2.0
191.14333	1.4
193.12219	22.2
195.13736	2.7
197.13313	1.7
201.12646	1.6
203.14392	1.8
205.12248	3.8
209.11763	5.2
211.13231	27.2
219.13785	7.8
221.96164	1.3
223.13232	15.2
227.12750	21.2
229.19542	1.6
239.17891	2.6
245.13802	1.6
245.19026	2.2
247.20543	1.6
249.14891	2.9
255.17465	3.1
257.19046	5.6
267.15878	29.9
273.18494	27.8
275.20038	32.5
280.19916	1.5
283.15338	20.1
285.17133	4.6
289.18106	1.5
291.19510	92.6
292.19928	2.8
293.21027	3.2
297.18292	1.5
313.21527	8.0
315.19467	3.0
331.22708	2.2
333.20663	2.1
347.22159	6.2
349.23663	16.1
365.23148	12.2
437.25333	2.8
445.25867	3.4
453.25317	2.0
463.26776	2.4
465.30042	3.1
477.28540	5.0
483.31183	5.1
501.32413	3.1
529.35712	1.8
539.33667	9.9
557.34692	62.8
558.35278	3.1
575.35718	100.0
576.35980	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	575.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.4
53.03929	3.0
55.01869	17.6
55.05502	48.0
57.03432	12.0
57.07065	4.7
59.04982	2.8
65.03937	4.8
67.05494	68.6
69.03419	9.3
69.07059	36.8
70.79356	2.7
70.79694	1.8
71.04977	7.3
73.06514	1.3
79.05482	64.1
81.03407	38.9
81.07045	76.6
83.04964	15.1
83.08605	29.3
85.02885	10.3
85.06535	3.2
86.24813	1.3
91.05468	55.9
93.07029	53.8
93.07617	2.6
95.01341	2.6
95.04948	27.3
95.08591	36.0
97.02295	1.8
97.02896	5.6
97.06514	18.1
97.10150	24.4
99.04432	2.5
99.08094	3.1
103.05462	1.5
105.07011	43.2
107.04949	14.9
107.08572	35.0
109.06504	11.3
109.10130	19.4
111.04433	4.2
111.08042	8.4
113.06012	3.3
115.05456	3.1
116.06211	1.6
117.07001	19.3
119.08565	34.8
121.06487	10.6
121.10123	22.4
123.08054	10.6
123.11697	7.6
125.09606	20.0
127.45789	1.4
128.06248	2.8
129.06978	13.3
131.04956	1.5
131.08551	25.1
133.06491	6.0
133.10109	20.3
135.04388	1.7
135.08052	12.2
135.11670	12.5
137.09621	7.5
142.07846	3.5
143.08559	8.9
143.10648	1.5
145.06491	4.2
145.10089	25.2
147.04355	1.7
147.07999	12.0
147.11656	16.3
149.09583	14.9
149.13310	4.9
151.11195	3.4
153.12744	2.9
157.10075	13.6
159.08061	3.6
159.11653	9.7
161.09596	5.2
161.13194	1.7
163.11151	16.2
165.09157	4.0
165.12781	2.8
167.08611	1.7
169.10057	3.6
169.12305	1.7
171.07941	2.7
171.10310	3.2
171.11731	6.9
173.09621	5.0
173.11826	2.3
173.13321	4.2
175.11154	6.9
177.12787	5.3
181.10234	1.5
181.12202	2.8
183.11691	3.1
185.13228	3.7
187.11226	3.8
189.11197	13.3
189.12668	2.0
191.10692	4.7
193.12216	13.9
197.13295	1.9
199.11180	2.6
205.12077	1.5
209.11697	4.8
211.13234	21.3
211.14952	1.9
215.14395	1.8
219.13821	8.0
223.13245	11.7
227.12749	17.6
229.14351	2.6
229.19402	3.1
233.15457	1.7
239.18019	2.4
245.13853	2.1
245.18974	1.8
247.20514	1.7
249.14822	3.2
253.80385	1.4
255.17679	2.6
257.19049	4.7
267.15836	13.9
269.17413	2.8
271.16937	2.0
273.18481	19.5
275.20016	26.2
283.15353	14.2
285.17078	4.0
289.18036	4.6
291.19510	54.8
292.19681	1.7
293.21075	1.5
313.18265	1.9
313.21762	4.7
315.18964	2.0
329.21371	2.4
331.22626	3.1
347.22256	5.3
349.23596	7.2
365.22992	7.1
445.26126	2.7
447.28864	3.0
465.29990	3.4
477.28592	14.1
483.31049	4.4
539.33466	5.6
557.34662	44.8
575.35736	100.0
575.50482	5.2
576.35736	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	575.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11371	0.8
53.03936	1.9
55.01863	2.3
55.05500	2.8
57.03427	1.1
59.05000	0.8
61.02921	1.3
67.05502	4.2
69.03427	6.9
69.03770	1.2
69.07059	5.7
71.04986	15.6
71.63126	1.8
79.05484	6.0
81.03415	9.1
81.07045	11.7
83.04976	6.3
85.02894	7.3
85.06533	4.7
87.04463	1.1
91.05462	5.9
93.07037	18.0
95.04949	5.4
95.08592	6.8
97.02874	6.2
97.06506	8.5
99.04456	5.4
103.05436	0.8
105.07027	13.5
107.04919	2.3
107.08580	10.6
109.02869	9.5
109.06509	8.1
109.10141	3.0
111.08076	4.3
113.05984	3.6
115.05471	1.5
117.07007	2.2
119.08583	6.5
121.06499	18.8
121.10128	3.7
123.04415	1.5
123.08057	2.0
123.11677	3.6
125.05987	4.6
125.09592	1.6
127.03902	9.5
127.07546	10.3
129.07007	1.5
131.07022	2.5
131.08548	3.4
133.06496	2.1
133.10107	4.7
135.04370	0.8
135.08035	5.5
135.11711	1.3
137.05971	7.6
137.09637	1.0
138.06258	0.8
139.07545	4.2
143.03383	100.0
143.06964	4.7
143.08530	2.5
143.10623	1.0
145.04953	2.3
145.08585	32.2
145.10072	3.7
146.05989	0.9
147.07971	2.2
147.11674	15.9
149.05885	1.0
149.09618	5.9
149.13257	1.1
151.03883	1.0
151.07513	2.2
151.11151	1.0
153.01826	2.6
153.09081	1.5
156.09329	1.2
157.08588	2.6
157.10114	6.0
159.08099	1.0
159.11644	1.9
161.05971	3.8
161.09613	2.4
161.13272	2.0
163.07512	1.5
163.11163	2.0
165.12773	6.3
167.06966	1.3
169.12187	2.7
171.11659	4.4
173.09584	2.2
173.13290	0.9
175.07434	0.9
175.11189	10.1
177.05545	1.0
177.09184	1.2
177.12718	1.3
181.10184	1.0
187.06010	3.6
187.11195	2.3
189.09094	2.0
189.12729	7.6
191.09146	3.9
191.10652	0.9
191.14409	1.0
193.12222	11.4
199.11142	6.0
205.07040	3.2
205.12224	5.1
207.10161	3.1
207.13773	5.2
208.10507	2.3
211.13220	7.8
217.12242	19.0
221.01080	0.9
223.13269	17.2
229.14357	3.1
233.11601	1.2
235.13271	29.0
251.13039	0.9
253.14314	24.0
271.15387	1.7
337.16623	0.8
343.15512	0.8
361.16525	1.1
365.11844	1.6
379.17432	2.6
397.18533	2.7
575.20575	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	575.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59450	0.6
57.03400	0.7
57.45940	0.6
57.49609	0.5
61.02904	0.7
69.03420	3.2
70.06550	1.7
71.02536	1.7
73.02879	1.5
81.03359	1.0
82.99438	0.6
82.99873	2.3
85.02899	4.3
93.45798	0.6
97.02842	2.4
98.97568	1.3
101.00845	3.5
109.02821	0.9
113.00851	0.7
116.07063	4.3
116.98548	0.7
118.01077	0.6
119.01900	14.8
127.02340	0.8
127.03859	2.1
130.05032	0.8
131.01874	4.0
133.03413	1.4
137.00839	0.6
137.02927	2.7
139.02412	0.6
142.01056	3.9
143.00151	1.1
143.01878	22.8
143.03024	1.2
144.01974	0.6
145.03419	7.3
145.04955	1.3
147.01390	0.9
147.05005	1.3
150.91888	1.2
155.01872	10.2
157.03442	48.8
158.03551	1.4
158.99539	1.0
160.02151	7.3
161.02934	35.0
162.03098	0.6
163.04503	1.6
167.01869	4.7
169.03413	3.9
171.05023	4.0
173.02942	22.9
175.04501	47.7
176.04671	1.1
176.06070	0.9
177.00658	0.8
177.04152	0.9
179.01909	2.2
179.03731	0.6
182.03580	0.7
184.04430	1.3
185.02919	33.3
186.03114	0.9
187.02974	1.0
187.04488	30.1
187.06187	1.5
188.04755	1.2
189.00716	0.7
191.03947	2.2
195.04597	0.6
196.04585	0.6
197.02917	12.5
198.06030	1.9
199.04387	1.1
201.00699	1.3
203.03970	15.5
204.04153	0.7
205.05618	5.4
208.04485	1.1
209.02896	1.6
211.04393	1.0
215.03972	9.3
217.05559	22.3
218.05626	0.8
219.01724	0.9
220.04544	0.6
221.04999	1.6
223.06381	0.8
225.06107	1.1
226.05557	0.7
227.03969	8.8
228.07211	0.7
229.05571	2.4
232.92206	1.7
233.07523	0.8
233.57314	3.0
238.05426	0.8
239.03979	1.4
241.05568	3.9
242.05530	0.7
245.05037	100.0
246.05261	3.6
247.04573	0.7
247.06728	6.2
250.92010	0.7
251.04210	0.8
253.05524	1.0
257.04971	5.0
259.06592	1.4
261.02725	1.4
263.06061	12.7
271.06516	0.7
273.07999	0.7
275.06079	94.9
276.06207	3.3
279.03998	1.0
286.07639	1.3
287.06085	13.1
292.93048	3.9
293.07101	23.1
294.07330	1.0
304.93094	2.1
305.07159	31.2
306.07391	1.4
307.08698	2.5
316.08743	2.0
317.07138	2.0
321.10217	2.6
323.07895	3.6
335.08157	22.6
336.08347	1.7
337.09399	1.2
347.08072	1.1
351.11185	3.7
353.09253	3.6
359.08176	2.0
365.09259	19.0
377.09247	11.9
383.10367	1.3
395.10425	5.2
413.11368	1.3
425.11270	1.8
437.11447	1.6
441.13199	1.1
445.20801	0.7
495.94098	0.6
557.15204	6.7
575.16187	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	574.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
54.69858	1.7
55.01869	3.7
55.05506	7.7
57.03438	4.8
57.24179	1.6
58.29027	1.9
60.28599	2.1
61.02914	2.1
66.18485	1.5
67.05495	12.5
69.03414	14.0
69.07059	12.9
69.85081	10.5
71.04968	7.8
73.02893	3.1
79.05476	18.8
81.03421	18.9
81.07043	39.5
83.04957	13.0
83.08609	7.9
85.02891	14.0
85.06535	9.2
89.06021	10.1
91.05464	12.2
93.07031	47.5
93.07625	3.0
95.04945	18.3
95.08600	20.5
97.02876	11.3
97.06516	27.5
97.10182	2.2
97.83487	2.0
99.04447	21.0
101.06030	2.0
105.07015	33.7
106.07328	2.0
107.04944	56.3
107.08587	28.9
109.02863	33.2
109.06500	25.2
109.10133	11.5
111.04438	2.3
111.08067	16.8
113.05990	3.8
115.07596	2.4
117.07024	1.8
117.35770	1.7
119.04905	3.2
119.08569	22.6
121.06483	49.1
121.10122	10.4
123.04530	2.4
123.08048	6.7
123.11689	7.7
125.05973	16.1
125.09573	3.4
127.03899	32.2
127.07561	13.8
128.06178	1.9
129.07002	4.1
131.04922	6.1
131.08546	6.4
133.06468	5.2
133.08615	4.5
133.10121	14.7
135.04405	4.2
135.08044	16.6
135.11667	4.0
137.05940	11.2
137.09604	3.1
139.07542	15.4
142.07750	3.1
143.07047	13.2
143.08537	7.9
145.04919	3.4
145.06508	3.6
145.10080	13.0
147.04376	1.8
147.08017	6.0
147.11670	54.3
149.09605	3.5
149.13251	4.5
151.07565	4.0
151.11188	4.2
153.01842	2.6
153.05423	2.4
153.34718	2.1
155.06952	3.0
157.08614	8.4
157.10126	14.6
159.08081	2.9
159.11679	3.4
161.05969	5.4
161.09608	3.6
161.13213	10.3
163.07544	3.6
163.11180	7.5
165.12738	28.1
167.07042	8.3
168.07387	2.3
169.12183	12.6
171.10313	3.3
171.11682	14.3
173.09642	6.9
173.13290	3.4
175.07581	2.0
175.11166	30.3
181.10101	4.2
181.12201	2.9
185.09567	3.5
187.05981	10.5
187.11214	4.8
189.12737	21.6
191.10654	3.2
191.14368	2.4
193.12215	30.1
197.05943	2.5
199.11180	22.9
203.10591	2.6
205.07025	6.0
205.12369	2.8
207.13792	14.2
209.15268	2.2
211.13292	20.9
215.10654	2.7
217.12207	69.7
229.14380	4.3
233.11568	3.5
235.13257	62.9
239.14961	2.0
245.11702	2.6
251.12633	2.6
253.14305	100.0
254.14677	3.3
257.13867	2.3
271.15359	28.9
289.16376	13.2
299.16260	2.7
313.16382	4.5
315.15829	3.0
331.17673	2.7
333.17130	2.6
341.17499	4.5
343.15268	4.4
359.18488	3.4
361.16330	13.4
377.29047	9.9
379.17462	29.7
395.29916	3.1
397.18497	46.7
415.19528	36.4
433.20776	16.8
560.92700	2.0
574.32648	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	574.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01852	0.5
55.05499	1.3
57.03428	0.9
67.05487	1.2
68.05014	0.7
69.03423	1.2
69.07048	1.6
71.04958	0.7
71.19576	0.4
71.62344	0.5
71.89576	0.3
79.05482	7.2
80.04993	1.2
81.03400	1.4
81.05788	2.7
81.07044	8.2
82.02919	1.6
83.03696	0.9
83.04963	1.3
85.02912	1.5
85.06541	0.5
86.06052	1.8
91.05465	1.5
93.07028	4.0
94.06575	1.0
95.04932	1.6
95.08590	1.7
96.04475	4.4
96.08115	9.9
97.02867	1.2
97.06501	2.6
99.04427	1.2
105.07016	2.7
106.06544	0.6
107.04948	1.1
107.08578	2.7
109.02816	1.6
109.06490	1.8
109.10144	0.6
111.08058	1.4
112.07587	3.8
115.03865	0.3
119.08571	2.0
121.06493	3.3
121.10127	0.9
123.08035	0.6
123.11716	0.5
124.03987	1.9
124.07569	100.0
125.02331	0.4
125.05998	1.1
125.07910	0.5
126.09187	0.3
127.03899	1.8
127.07536	0.7
129.07011	0.5
131.08553	0.6
133.05173	0.3
133.10083	1.5
135.08043	1.3
137.05931	0.9
139.07518	1.0
142.04971	1.0
142.08611	76.0
143.07043	0.6
143.08669	1.0
145.04922	0.6
145.10107	0.9
147.11652	4.3
148.68867	0.3
149.09610	0.4
153.01733	0.6
157.10081	1.2
161.13268	0.7
165.12750	1.5
166.08600	0.4
167.07001	2.5
167.14326	0.3
168.07294	0.4
169.12196	0.7
171.11694	1.2
173.13373	0.3
175.11156	2.9
187.06053	0.3
189.12657	1.6
189.52493	0.3
193.12234	2.2
199.11176	1.5
207.13803	0.6
211.13271	1.5
217.12233	4.5
229.14279	0.5
235.13268	5.8
239.82314	0.3
250.10582	0.4
253.14301	5.8
271.15369	0.9
288.05920	0.5
290.56555	0.3
304.13925	4.8
347.22443	0.3
361.16495	0.5
376.21017	0.4
379.17453	1.1
388.18503	0.3
397.18484	1.4
398.80331	0.3
415.19980	0.6
512.28162	0.8
520.24963	1.1
538.26373	2.0
556.27582	2.7
574.28510	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	573.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.3
53.00290	0.3
53.03936	1.5
54.23729	0.1
55.01845	0.4
55.05499	9.3
57.03423	0.6
57.07064	26.0
62.72966	0.2
65.03935	1.4
67.05491	28.9
68.05823	0.2
69.03424	0.4
69.07052	10.4
69.69093	1.1
69.69501	0.3
71.04980	1.0
71.08617	20.1
77.03895	0.4
79.05477	20.3
79.96949	0.2
81.03397	0.5
81.07040	30.1
81.42027	0.2
82.07346	0.2
83.04977	0.8
83.08603	9.8
85.06532	0.8
85.09637	0.4
85.10165	9.7
91.05460	11.4
93.07025	23.6
94.07359	0.2
94.10349	0.2
95.04951	3.2
95.08586	28.9
95.55582	0.2
96.08914	0.3
97.06518	0.9
97.10154	5.4
97.10764	0.4
99.08067	0.5
99.11719	0.5
103.05450	0.2
105.04513	0.5
105.07008	7.3
107.08570	10.6
109.06507	0.7
109.10132	12.0
111.08075	0.6
111.11699	1.2
115.05421	0.2
117.06995	2.7
119.08556	5.6
121.10117	10.7
122.10463	0.2
123.08037	0.5
123.11681	4.8
125.09604	0.4
125.13249	0.8
131.08539	4.7
133.08585	0.2
133.10110	4.3
135.08076	0.2
135.11670	6.2
137.09560	0.2
137.13235	2.1
139.14815	0.3
145.10103	2.8
146.69060	0.2
147.11670	2.7
149.13234	2.9
151.14803	0.8
153.51909	0.2
157.10088	0.3
159.11641	2.0
161.13206	2.5
162.42447	0.2
163.14763	1.1
165.16415	0.3
169.14020	0.2
171.11665	0.4
173.13217	1.7
175.14780	1.2
177.16356	0.4
179.14333	0.3
187.14781	1.0
189.16385	0.5
201.16393	0.4
221.22606	0.8
233.22609	0.2
239.23654	7.2
240.24033	0.2
243.21063	1.5
259.20764	0.2
261.22086	4.4
277.21622	0.3
299.23859	0.3
313.27283	2.3
317.24692	3.9
317.99149	0.2
318.24948	0.2
333.92841	0.3
454.27676	0.2
468.15057	0.2
551.89691	0.2
567.90979	1.4
573.48639	100.0
574.49017	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	573.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.2
55.01869	20.8
55.05502	33.9
57.03426	11.0
57.07073	4.0
59.04986	2.9
59.06123	3.0
65.03931	2.9
67.05494	83.0
69.03419	5.5
69.07060	33.9
71.04966	7.2
71.62643	2.4
74.32488	1.9
78.40131	1.7
79.05486	99.7
81.03419	13.4
81.07045	100.0
83.04967	16.5
83.08602	19.1
85.06534	5.7
91.05473	84.4
93.07030	86.3
95.04964	27.0
95.08601	39.8
95.12675	1.9
97.02876	3.9
97.06519	31.8
97.10162	8.7
101.07133	6.7
105.07022	76.3
107.04945	24.3
107.08583	45.6
109.06506	16.8
109.10124	21.0
111.08078	6.5
113.05988	2.0
115.05422	4.4
116.06278	2.3
117.07001	20.2
119.08564	58.5
121.06482	8.4
121.10124	21.2
123.04440	2.7
123.08054	11.5
123.11694	5.9
125.09605	8.5
127.07567	3.0
128.06224	3.6
129.06963	18.9
131.08553	26.4
133.06467	3.5
133.10126	43.0
135.08047	7.3
135.11690	13.8
137.09612	4.8
139.11156	2.3
141.09140	2.0
142.07751	3.2
143.08513	11.8
145.06433	3.5
145.10104	31.0
147.08075	4.4
147.11667	42.0
149.09601	19.9
149.13249	3.9
151.11194	3.5
155.08525	2.8
157.10112	8.7
159.07959	2.4
159.11671	15.1
161.09622	5.9
161.13226	17.8
163.11162	18.3
165.12694	3.7
166.83942	2.0
169.10109	5.5
171.11644	21.9
173.09581	3.3
173.11766	3.0
173.13252	7.0
175.11183	4.3
177.12718	3.9
179.14256	3.8
181.12222	3.0
183.11667	3.9
185.13231	3.5
187.11240	4.7
187.14740	3.7
189.11201	5.9
189.12732	9.5
195.11829	2.8
197.13319	3.8
199.11298	2.2
207.13768	25.3
215.14354	2.8
217.15819	2.4
225.14703	2.6
227.12750	25.2
229.19438	3.5
239.17970	5.2
247.20595	3.1
257.19003	14.6
267.15881	5.2
271.17316	1.9
273.18384	6.3
275.20035	88.5
281.17419	52.5
287.19760	2.4
289.17957	2.3
291.19534	12.7
293.21158	7.5
349.23676	37.8
350.24002	2.3
377.23083	3.1
413.16165	2.2
435.32333	2.0
459.30981	6.2
472.65216	2.3
475.30417	7.7
522.84332	2.2
537.35339	3.0
555.36823	62.5
573.38043	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3414
Annotation	13beta-Hydroxymilbemycin D
Peak:m/z	Relative Intensity
53.03932	2.9
55.01868	11.3
55.05505	26.1
57.03424	5.9
57.07058	2.8
59.04980	1.3
65.03929	2.6
67.05499	34.2
69.03416	9.2
69.07059	23.7
69.26892	8.8
71.01311	1.0
71.04980	4.5
75.89542	0.8
79.05483	34.7
81.03401	11.6
81.07048	31.9
81.88562	0.7
83.01334	4.6
83.04965	10.6
83.08607	12.5
84.08968	0.7
84.22746	0.7
85.02895	1.8
85.06527	2.0
91.04882	1.1
91.05467	27.9
93.07030	33.7
94.86421	0.8
95.01305	0.9
95.04963	12.2
95.07968	0.9
95.08593	15.2
97.02879	10.5
97.06524	6.9
97.10162	10.3
99.04437	1.5
99.08099	1.4
103.05451	1.3
105.07018	20.4
107.04946	13.6
107.08579	20.7
109.02902	1.3
109.06500	7.7
109.10153	9.5
111.04420	1.7
111.08070	3.0
111.27148	0.8
115.05441	2.1
115.46256	0.8
116.06187	0.9
117.07005	12.1
118.11212	0.8
119.07771	1.4
119.08568	17.3
121.06478	4.9
121.10121	8.4
123.04390	1.5
123.08054	7.6
123.11717	0.9
125.05971	1.0
125.09607	8.9
128.04126	0.7
128.06183	1.6
129.06966	4.8
130.07739	1.5
131.04945	0.8
131.08557	12.6
133.06451	2.4
133.10077	7.7
133.20990	0.7
135.08037	5.2
135.11678	10.2
137.05974	1.1
137.09613	3.5
139.07515	1.3
140.09341	0.7
143.08543	5.2
145.06473	1.9
145.10112	16.5
147.08032	6.2
147.11703	4.6
149.09625	2.4
149.13246	2.1
151.11201	1.5
153.09148	1.3
153.12717	2.5
155.08562	2.6
157.10097	4.1
159.08017	1.1
159.11646	2.6
161.09590	4.1
163.11165	14.0
165.09138	1.5
169.10100	1.6
171.10249	1.0
171.11667	2.4
173.09605	3.0
173.13185	1.6
175.11201	2.9
175.14674	0.9
177.12761	2.1
179.10725	1.0
181.12213	2.2
183.11517	0.8
185.09656	1.5
189.11205	2.6
189.12680	1.0
191.10571	1.5
193.12248	1.2
195.13820	1.4
197.13255	2.0
199.11179	0.9
199.14774	1.6
201.12646	1.0
205.12250	2.4
209.11671	2.8
217.12341	0.9
223.13251	15.4
225.11115	0.9
227.12787	5.5
247.13237	0.8
249.14803	2.1
255.17538	1.2
257.18988	1.9
263.20120	1.1
265.14362	0.9
271.16995	1.1
273.18454	15.8
273.21179	1.2
275.20120	3.6
283.15353	4.3
289.17685	1.0
291.19510	88.9
292.19748	0.9
309.20651	1.2
311.20340	0.8
347.22183	2.7
365.23126	1.4
477.22675	0.9
481.29730	1.0
541.35406	0.9
545.34332	1.3
555.32806	6.1
573.34149	100.0
573.48737	2.7
574.34637	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3024
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
51.24987	0.4
53.03929	1.2
55.01868	3.1
55.05502	5.9
57.03433	5.1
57.07067	24.8
60.80484	0.6
65.03926	0.5
67.05492	12.6
68.22421	0.5
69.03423	1.1
69.06709	0.8
69.07052	8.2
69.64938	0.8
69.65356	2.8
71.04973	1.3
71.08620	16.6
75.04466	0.8
79.05481	7.6
81.03413	5.2
81.06566	0.9
81.07044	14.2
83.04955	1.8
83.08603	7.2
85.02883	1.1
85.06490	0.5
85.10168	9.8
89.06001	0.5
90.40868	0.4
91.05476	6.1
91.06834	0.5
93.07026	7.4
95.01252	0.6
95.04996	2.3
95.08591	12.9
97.02898	0.5
97.06517	4.5
97.10162	3.5
98.20744	0.9
98.98451	23.4
99.04420	0.8
105.07014	5.7
107.04920	2.4
107.08574	3.7
109.02876	3.8
109.06485	1.2
109.10140	6.1
111.11641	0.7
116.45689	0.5
116.99471	1.0
117.07020	2.4
119.08569	3.5
121.06491	0.9
121.10113	2.4
123.04421	0.6
123.08013	1.2
123.11700	2.3
125.09608	1.1
125.13219	0.5
127.03902	0.8
129.07001	1.4
131.08557	2.7
133.10092	3.3
135.08043	0.6
135.11691	1.5
137.09593	0.7
137.13225	0.8
140.01059	0.5
143.08543	0.6
145.10075	2.1
147.08025	0.9
147.11626	2.5
149.09555	1.1
149.13206	0.9
151.14786	0.5
155.01018	21.5
157.10107	0.6
159.11687	1.0
161.13297	1.0
163.11142	1.5
171.11696	1.7
173.02136	1.9
177.12738	0.6
179.14224	0.8
207.13702	1.0
214.97824	0.5
223.13329	0.7
227.12883	0.5
239.23692	3.4
261.03680	1.1
273.18420	1.2
275.20044	5.7
281.17352	3.6
291.19553	6.3
293.21021	0.9
313.27313	100.0
314.27597	1.9
317.06259	3.4
335.07373	1.8
349.23679	2.1
383.27893	0.9
393.23874	5.4
401.28955	3.2
537.27863	3.1
555.36920	4.3
573.34076	7.1
573.48358	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	572.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53147	1.0
55.05496	3.8
57.07067	30.1
57.55521	0.9
60.36007	1.0
67.05499	8.4
69.07056	5.6
69.98033	6.2
71.08626	28.7
71.76321	1.0
73.06555	6.7
79.05482	4.0
81.03405	1.7
81.07046	7.4
83.08608	5.4
85.10170	26.1
87.04459	6.8
89.06020	100.0
91.05461	5.0
92.24064	1.0
93.07019	3.1
95.04932	1.1
95.08585	3.9
97.06503	1.2
97.10172	2.7
98.20686	1.1
99.11700	3.0
105.07011	4.9
107.04905	1.0
107.07057	3.1
107.08576	3.6
109.10140	3.6
109.49871	0.9
117.06989	1.2
117.09109	8.0
119.08574	2.0
121.10123	2.3
130.08600	6.0
131.07016	2.5
133.08588	57.2
135.10118	1.4
135.11644	1.3
141.16373	4.9
143.08641	1.6
145.10143	2.0
159.11594	1.5
161.11711	2.7
171.11732	1.1
173.11766	1.7
177.11206	27.1
177.12677	2.0
185.19063	5.5
197.13278	1.1
203.42963	1.1
221.13835	5.2
226.21648	3.7
229.14352	1.7
229.21606	17.4
239.14821	1.3
273.24176	12.1
275.20059	1.9
283.17529	1.8
313.27304	3.6
327.20016	1.7
349.23694	1.2
415.25293	7.1
434.23416	1.0
503.33704	1.3
511.38309	1.2
555.32806	1.6
555.40881	15.2
572.35339	2.3
572.37152	1.6
572.43506	5.8
573.34290	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03429	0.8
61.02909	0.4
69.03416	0.7
70.38634	0.9
71.04974	0.3
72.61277	0.3
73.02901	1.9
78.04720	0.7
79.05481	0.7
81.03404	0.6
81.07038	0.6
85.02889	0.4
85.06554	0.3
85.87346	0.2
91.05466	0.8
93.07028	0.4
94.04150	0.3
95.04961	0.7
95.08588	0.4
97.02888	0.8
97.06557	0.3
99.16798	0.2
103.05440	0.8
104.79659	0.2
105.07013	1.1
106.04166	0.5
107.04929	1.9
109.06480	0.5
115.03899	0.3
115.05463	0.3
118.41479	0.2
119.04922	0.4
121.06483	0.9
122.03630	1.4
123.04411	2.3
124.05246	1.2
127.03837	0.4
129.06976	0.3
131.04907	0.3
132.06558	0.3
133.06451	1.3
135.04379	0.3
135.08023	0.5
136.85205	0.2
137.05957	34.1
138.06284	0.5
140.07007	0.3
145.06448	0.6
147.59750	0.3
149.05946	0.6
149.14380	0.2
151.03911	0.5
151.07542	0.8
152.04669	0.9
154.06183	0.2
161.05957	1.2
163.07518	1.7
166.06302	0.4
167.07011	100.0
168.07376	1.3
173.05945	0.5
175.07472	0.6
179.07042	0.5
181.05083	0.4
181.08575	7.0
181.10156	0.3
182.66611	0.3
187.07578	0.3
189.09143	0.3
191.06950	0.5
193.08589	6.0
195.10146	0.7
205.08612	0.8
207.10103	0.5
211.09624	19.1
213.11176	3.2
221.76398	0.2
223.09612	0.6
229.08539	0.4
231.13702	0.3
235.09662	0.5
241.10626	0.4
253.10683	0.4
259.09436	0.5
279.70294	0.3
289.10635	0.3
307.11636	1.0
325.12988	0.4
348.64038	0.2
387.79474	0.3
534.18604	0.2
572.23914	0.9
573.25037	0.4
595.70862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
55.05505	1.7
57.03426	2.4
67.05479	1.1
69.03422	4.3
69.91306	3.7
69.91733	1.9
70.93681	0.8
71.04984	7.4
73.02914	1.5
75.04440	1.7
78.04715	1.4
79.05486	3.1
83.04969	3.5
84.59512	0.7
85.02888	12.0
86.70960	0.7
91.05468	8.5
92.05769	1.3
93.07040	1.4
95.04958	3.8
95.51808	0.9
97.02866	1.2
99.04469	1.3
103.05419	5.1
105.07011	6.2
107.04945	27.4
109.02823	1.6
111.04423	2.6
115.05463	3.5
116.06216	1.0
117.07028	1.7
119.04945	4.2
120.05624	0.9
121.06487	3.0
123.04401	5.9
123.08017	0.9
124.05138	1.2
125.06019	1.7
129.05475	3.3
129.06996	1.3
131.04062	1.3
131.04886	6.5
131.08542	0.9
133.06502	5.3
135.04422	0.9
135.08037	10.4
137.05968	15.7
145.06479	2.8
147.04384	5.8
147.06512	1.0
147.08040	1.1
149.05971	5.3
151.03879	1.3
151.07526	8.6
152.04555	0.8
154.06264	1.1
157.06482	2.7
159.08116	1.1
160.05171	1.8
161.05940	6.8
161.09584	0.9
163.07521	39.4
165.09119	2.1
167.07013	67.2
173.06131	0.9
174.06714	1.2
175.07515	4.8
177.05484	5.1
177.09114	2.2
179.07022	20.3
180.07722	2.0
181.08549	11.9
185.07201	2.0
187.07552	2.6
189.09073	2.0
191.07008	7.6
193.08578	10.6
195.06497	1.1
195.10155	27.6
199.07597	1.8
203.07111	1.5
205.08629	2.5
207.10216	1.7
211.09622	18.4
213.11185	100.0
214.06892	1.4
215.07043	1.6
217.08514	5.8
221.08052	2.6
223.09648	1.3
225.11186	2.0
229.08609	4.0
233.08029	2.4
235.09584	1.2
237.11143	2.0
241.08655	1.1
247.09608	1.1
259.09662	2.9
271.09528	1.1
277.10767	2.1
279.12289	1.4
289.10590	1.2
295.11777	5.2
305.13821	3.3
307.11737	6.1
323.14832	1.0
375.14331	2.1
572.24915	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
53.03945	0.1
55.01857	0.3
58.40049	0.2
61.02910	0.3
69.03417	0.4
69.06384	0.1
70.95631	0.2
70.95948	0.2
71.05009	0.2
78.04706	0.6
79.05469	0.6
80.34994	0.1
81.03403	0.4
81.07036	0.3
85.02885	1.6
91.05474	0.4
93.03385	0.2
93.07006	0.3
93.18909	0.1
95.04944	0.2
97.02858	0.5
98.21407	0.2
105.03381	0.1
105.07008	0.6
106.04167	0.4
107.04930	1.1
109.02828	0.3
109.06519	0.2
121.06471	0.4
122.03584	0.1
123.04406	1.8
123.11718	0.1
124.05193	0.9
125.05996	0.2
127.03835	0.2
131.04813	0.1
133.06473	0.5
137.05943	1.3
145.04868	0.3
149.05954	0.6
151.03903	0.7
151.07536	0.2
152.04649	1.0
161.05974	0.8
166.06288	0.2
167.07007	100.0
168.07350	1.2
177.09108	0.2
179.06989	0.6
181.04964	0.2
181.08507	1.2
182.37340	0.1
193.08569	5.2
194.09039	0.1
205.08678	0.2
211.09615	22.4
212.09976	0.4
239.08916	0.2
273.52658	0.1
363.17184	0.2
384.23938	0.2
384.65466	0.1
526.60687	0.2
572.19971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.3
55.01855	0.4
57.03424	0.8
65.02158	0.3
67.05476	0.4
69.03411	0.7
70.71869	0.7
71.04971	1.9
73.02904	0.7
75.04420	0.4
78.04680	1.7
79.05476	3.2
81.03408	0.4
81.07043	0.8
83.04981	0.5
84.50217	0.3
85.02891	3.4
91.05453	1.8
93.07019	0.7
95.04953	0.9
95.08552	0.6
97.02897	0.3
97.06503	0.3
103.05450	3.2
105.07014	4.3
106.04163	1.1
107.04944	6.1
109.02850	0.4
109.06490	0.7
111.04408	0.5
115.05444	1.7
117.06999	1.0
119.04905	0.9
119.08565	0.4
121.06506	2.2
123.04417	4.0
123.08050	0.5
124.05175	1.8
125.05958	0.7
129.05487	0.6
129.06973	1.0
131.04906	5.8
131.08551	1.0
133.06461	4.1
135.04405	0.5
135.08037	1.9
137.05965	3.6
139.07570	0.4
141.06955	0.7
143.04874	0.8
143.05995	0.4
144.05678	0.6
145.06480	2.6
145.10124	0.4
145.32552	0.3
147.04381	1.5
147.08028	0.6
149.05962	1.6
151.03905	0.6
151.07515	3.3
151.62675	0.3
152.04672	1.7
153.05438	0.7
155.08528	0.4
157.06462	0.6
158.07224	1.0
159.08031	1.3
160.05180	0.7
161.05959	7.1
161.09586	0.8
163.07521	11.5
165.05464	0.6
167.07013	100.0
168.07423	1.0
169.06422	0.6
172.05164	0.5
173.05971	1.5
173.09599	1.5
174.06738	0.5
175.07497	2.1
177.05482	0.8
177.09077	2.1
178.06242	0.4
179.07040	3.5
180.07806	0.4
181.08560	7.6
187.07538	3.6
189.09009	1.8
191.06956	1.2
192.07744	1.1
193.08575	15.0
194.59851	0.4
195.10156	0.7
201.09042	1.8
205.06807	0.3
205.08568	1.6
207.06395	0.6
207.10132	1.9
209.08058	1.6
217.08540	1.2
219.10089	2.6
221.08084	0.9
221.11653	0.4
233.08127	0.4
233.11719	2.5
237.11186	2.4
247.09624	0.8
249.11214	0.4
251.12662	1.9
262.09613	0.4
263.10831	0.8
263.87540	0.3
289.10651	0.7
291.09930	0.6
295.13464	0.6
307.11783	0.8
308.10349	0.4
323.12784	1.7
325.12656	0.9
337.12900	0.7
355.15381	8.9
361.16324	0.8
373.16672	0.3
387.17978	11.6
405.19019	25.0
406.19467	0.6
423.19922	1.1
537.55872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
55.01857	0.6
57.03410	1.1
69.03419	1.0
69.07044	0.4
69.96116	0.7
69.96529	1.6
71.04980	2.8
73.02903	1.1
74.46286	0.3
75.04443	0.4
76.16015	0.3
78.04688	0.8
79.05479	3.1
79.09183	0.3
79.62133	0.3
81.07030	0.6
83.04958	0.9
85.02884	4.7
91.05454	1.7
93.07027	0.9
95.04945	1.5
97.02874	0.7
99.04448	0.4
103.05466	4.1
105.07036	4.4
106.04170	1.5
107.04941	7.1
109.06519	0.8
111.04432	1.0
112.15695	0.3
115.04668	0.3
115.05419	1.3
117.06982	1.2
118.04220	0.4
119.04903	0.6
119.08512	0.4
121.06475	2.4
122.03659	0.6
123.04415	3.7
123.08102	0.7
124.05205	2.4
125.05970	1.0
129.05453	1.3
129.06989	0.8
131.04915	7.7
131.08559	0.9
132.05687	0.6
133.06470	5.8
133.10068	0.3
135.04373	0.4
135.08037	1.5
137.05949	4.3
138.06679	0.4
140.03429	0.6
141.06978	0.8
143.04901	0.7
143.08540	0.5
144.05687	1.1
145.06464	2.4
145.10089	0.5
147.04367	1.5
147.08037	0.6
149.05984	3.3
151.03833	1.0
151.07516	3.5
152.04675	1.8
153.05466	0.7
157.06529	0.9
158.07248	0.6
159.08037	1.7
161.05971	8.4
161.09618	0.9
163.07523	12.6
165.05450	0.5
165.09004	0.4
167.07018	100.0
168.07350	2.8
169.06499	0.6
173.05936	2.4
173.09592	1.4
175.07530	2.3
177.05467	0.6
177.09055	2.4
179.07045	3.1
180.07861	0.9
181.08592	8.4
186.06741	0.5
187.07506	2.7
189.05551	0.8
189.09071	2.6
191.07010	2.2
192.07756	1.2
193.08568	16.1
194.08911	0.4
195.10164	0.7
201.09103	2.1
203.06937	0.6
205.08607	2.1
207.06535	1.1
207.10173	3.1
209.08040	2.4
211.09627	1.0
215.06967	0.5
217.08586	0.9
219.10101	3.1
221.08086	1.8
233.08041	0.9
233.11661	2.8
237.11180	1.9
247.09714	1.1
249.11163	0.5
251.09071	0.5
251.12767	1.6
263.10638	0.5
289.10678	1.2
291.10086	0.8
295.13467	0.4
307.11722	0.9
323.12762	2.0
325.12790	1.3
337.12830	1.8
341.13843	0.5
355.15372	11.6
361.16388	1.4
373.16406	0.5
387.13013	0.7
387.17990	12.6
388.18484	0.4
405.19025	29.8
406.19543	0.4
423.20123	1.1
454.10922	0.4
458.90942	0.4
522.18060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38697	0.9
67.17831	1.0
69.03413	2.6
69.47997	9.0
77.00920	1.3
81.03370	1.2
82.99851	1.6
85.02898	4.0
90.94729	0.9
92.42072	0.9
97.02869	2.9
101.00881	5.1
109.02861	1.0
113.00903	1.1
119.01907	24.2
127.02383	1.7
127.03888	2.2
131.01883	11.2
133.03468	4.2
137.02945	4.5
143.01878	20.5
145.03448	13.9
147.01416	2.2
147.05043	1.2
153.01756	1.2
155.01862	13.7
157.03500	6.4
159.04933	1.2
161.02934	32.8
162.03088	2.3
163.04533	3.5
167.01942	5.7
168.99843	3.6
169.03413	4.9
171.01314	1.5
171.05017	3.4
173.02954	28.4
175.04486	3.9
179.01822	2.3
183.55830	1.1
184.04543	1.0
185.02937	46.4
186.03104	1.7
187.00870	6.6
187.04520	4.2
189.02477	1.9
189.06093	1.0
191.04053	3.7
196.04469	2.0
196.99164	1.4
197.02942	16.8
199.00897	2.4
199.04558	2.5
201.02492	3.6
203.03973	15.1
209.02904	1.4
213.02451	1.6
215.00342	8.3
215.03940	11.0
217.01935	3.6
219.03584	2.9
221.05081	4.1
227.04007	8.9
229.01935	4.1
229.06105	1.3
231.03519	4.3
239.03848	1.3
245.05046	100.0
246.05284	3.9
247.02904	7.5
253.01933	1.3
257.05066	4.8
259.02991	3.4
261.04428	1.2
263.06009	11.4
271.02972	3.9
275.02618	2.8
275.06131	13.0
277.03839	1.1
286.07724	1.7
289.04010	10.1
293.07135	4.9
299.02335	2.0
301.04102	2.1
305.07147	9.9
307.05023	9.4
319.05112	4.3
321.10379	2.1
331.05026	7.6
335.08167	5.1
349.06180	13.9
351.11331	2.3
359.04327	2.9
361.06253	2.8
365.09323	19.5
377.05743	2.7
383.10345	1.5
391.07132	8.3
409.08215	3.8
453.32574	1.2
469.10172	2.8
511.11581	9.4
539.10889	5.0
571.12830	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	571.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.5
56.96549	0.9
57.03428	3.4
61.02901	2.3
67.00380	0.5
69.03417	8.5
70.06573	1.2
71.04980	1.2
71.61422	0.7
72.44241	0.6
73.02889	2.4
75.76407	0.5
77.00879	0.9
81.03420	4.0
82.99874	1.7
83.04937	0.8
84.04475	1.6
85.02894	16.2
86.03239	0.7
87.04440	1.9
91.03940	0.6
94.99840	0.7
96.81756	0.6
97.02882	8.3
98.03204	0.7
98.97559	1.7
99.04436	1.7
101.00872	5.9
109.02864	2.5
113.00856	1.4
115.02415	1.2
119.01907	30.5
121.02822	3.9
121.06493	0.7
122.97686	0.6
127.02381	1.8
127.03896	8.8
128.04208	0.8
129.00348	0.7
129.03938	1.1
130.04964	2.0
131.01895	11.9
133.03468	8.3
137.03003	5.3
137.05933	0.7
139.02373	1.6
139.03857	0.8
141.03955	0.9
141.99055	0.6
142.03502	1.2
143.01875	21.7
143.03365	0.9
145.03432	16.2
145.04909	4.6
146.03543	0.6
147.01335	2.5
147.03178	1.3
147.04968	1.8
147.07625	1.6
149.01097	0.7
149.02985	3.0
151.04478	2.2
153.01814	19.9
154.02156	0.9
154.03497	0.7
155.01868	15.7
155.03091	1.0
157.03461	8.5
158.99631	0.8
159.05052	3.0
161.02939	33.7
162.03026	1.1
163.02650	0.8
163.04420	2.9
163.05762	0.6
167.01881	7.1
167.07004	0.6
168.99808	2.3
169.03481	4.9
171.01369	3.1
171.05042	4.4
173.02939	28.2
173.06580	1.5
174.03159	0.8
175.04515	6.2
177.00804	1.2
177.02385	1.5
177.06050	1.0
179.01831	3.5
183.01392	1.1
183.05038	2.3
184.04506	1.7
185.02934	45.2
185.06474	1.7
186.03075	1.7
187.00935	3.5
187.02846	1.1
187.04501	9.6
188.09367	0.6
189.02386	3.7
189.06062	2.3
191.04002	3.7
195.01395	1.4
196.04523	1.7
196.99292	1.2
197.01184	1.1
197.02957	17.6
199.00813	2.1
199.04506	3.8
201.00720	0.9
201.02431	4.5
201.04076	0.7
201.04382	0.6
201.06042	4.6
203.03999	24.0
203.07672	1.1
204.04205	1.1
204.08717	0.8
205.01932	0.8
205.03745	0.9
205.05533	2.0
205.08945	0.6
207.06929	0.6
208.04543	1.4
209.02939	1.7
211.00838	1.1
211.04494	2.2
213.02371	5.7
213.05878	0.9
215.00427	5.8
215.03963	11.7
215.07475	1.2
217.01967	4.0
217.05501	2.4
219.01727	1.5
219.03471	3.0
219.07112	1.4
220.00821	0.6
221.03078	1.4
221.05025	8.6
221.07045	1.0
223.04581	0.9
225.02460	1.7
225.06003	0.9
226.05551	1.1
227.00407	1.2
227.03946	11.8
228.05652	3.0
228.55824	1.9
228.57791	0.7
229.01912	3.9
229.06248	9.5
229.56175	1.2
229.58148	0.9
230.05211	1.1
231.03441	6.6
231.07098	1.4
233.04944	1.3
235.06631	1.3
237.02698	1.5
237.06073	1.3
239.03935	3.5
239.07980	0.6
241.01743	0.8
243.03548	1.3
244.06714	0.8
245.05042	100.0
246.05260	3.3
246.07518	0.7
247.02954	6.9
247.05000	0.6
247.06741	1.5
249.08316	0.9
249.57689	1.0
251.08160	0.7
253.01878	2.2
257.01019	1.2
257.05038	7.5
259.02844	3.6
259.06500	1.4
261.04764	0.9
261.08151	1.3
263.06082	12.8
264.07556	0.7
265.03909	1.2
269.04950	0.8
271.02966	6.0
271.06573	1.5
272.06729	0.9
273.04587	0.8
273.08060	1.8
275.02350	2.0
275.06079	11.5
277.03510	2.0
278.03503	0.8
283.02881	0.8
286.07635	0.9
287.02625	0.8
287.05826	1.9
289.03995	25.2
289.07278	1.0
291.06009	0.7
291.09180	1.9
293.07095	3.4
296.09097	0.7
297.04843	0.7
299.02512	1.5
301.03931	8.2
301.07187	0.8
303.01315	6.5
303.05557	1.9
303.09067	0.9
304.01648	2.2
305.01767	1.5
305.07254	9.2
305.10803	2.1
306.01633	0.6
306.07364	0.8
307.05090	12.0
307.08508	1.2
310.09409	1.0
313.04211	0.8
313.08130	0.6
315.05713	2.2
316.08621	0.6
318.58566	1.5
319.05084	8.5
319.09348	7.8
319.59680	0.8
320.07956	2.0
321.06891	1.1
321.10211	4.9
329.03537	0.8
329.07205	1.4
330.06763	2.2
331.05093	5.5
333.06747	1.6
333.10327	0.7
335.08224	5.6
337.09570	2.2
341.11276	1.4
343.05139	1.5
347.08157	1.3
349.06131	12.0
349.09909	1.2
351.11682	3.2
355.04770	1.1
359.04599	2.8
361.06036	2.3
365.09265	18.5
366.09595	0.9
373.06070	3.7
373.13895	1.7
377.05432	2.8
379.07236	1.4
379.12216	0.7
383.09857	1.4
391.07138	15.7
391.14877	1.4
399.12061	1.0
399.61862	1.1
400.11966	3.9
400.62299	1.7
409.08191	14.1
409.13507	0.9
410.08374	1.1
451.03116	0.8
451.09308	1.5
452.02637	0.6
457.11523	2.1
469.10266	3.1
481.10587	1.2
483.12057	0.9
489.02844	0.9
509.10257	1.0
511.11328	7.2
539.10864	4.2
541.12152	2.5
553.13080	2.0
571.13507	13.4
571.21045	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	570.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01849	1.7
55.05497	0.8
57.03421	6.5
67.05486	1.4
69.03412	4.1
69.07046	0.8
69.80222	3.7
71.04980	46.5
71.59745	0.5
73.02903	1.2
75.04462	1.6
77.03903	0.6
79.05473	2.5
81.03366	1.0
81.07020	1.9
83.04959	2.7
85.02888	48.9
87.04444	1.0
91.05460	6.4
93.07014	2.0
95.04939	2.5
95.08589	1.1
97.02817	0.6
97.06510	0.9
98.21460	1.2
99.04458	1.1
103.05441	4.5
104.06284	0.6
105.07013	23.0
106.04172	0.6
107.04933	4.1
109.02856	1.1
109.06506	1.0
111.04414	1.6
112.07601	0.6
115.05421	4.2
117.06981	1.3
118.04144	1.4
119.04937	6.0
119.08563	1.4
121.06500	4.4
122.06005	0.7
123.04421	1.1
123.08028	1.7
123.11685	0.8
125.05964	1.3
127.07542	0.9
129.05460	11.2
129.06940	0.9
131.04848	2.7
132.05655	3.9
133.06461	27.7
135.04381	1.4
135.08064	1.2
136.05180	0.9
137.05971	4.6
140.07010	1.5
143.04947	0.8
143.06003	1.2
145.06410	0.9
145.08510	1.2
147.04385	4.7
147.06421	3.0
147.08000	0.6
147.11649	1.5
149.05957	7.3
151.07521	9.2
153.05440	5.2
158.08072	1.5
160.05138	1.9
161.05952	60.5
162.06432	1.2
163.03847	2.1
163.07472	3.9
165.05516	3.3
165.12717	0.6
167.07027	13.0
168.07382	0.6
169.08510	0.7
173.05957	2.2
175.07503	1.3
177.05431	5.6
177.09010	0.7
179.07014	21.4
180.07668	1.9
181.08549	10.6
181.77942	0.7
182.09283	0.7
187.07555	1.2
189.05438	1.6
189.09055	0.7
191.06973	6.9
192.07756	7.8
193.04897	2.5
193.08571	100.0
194.08989	1.5
195.06525	1.4
197.08054	10.4
197.09773	0.9
201.08939	0.8
201.11148	0.8
203.07056	1.5
205.08627	1.4
207.06465	2.2
209.08055	10.5
210.08669	1.0
211.09590	1.3
217.08521	0.6
219.06566	1.0
219.10120	0.9
221.08026	5.2
223.09651	3.8
229.08687	0.7
229.14224	1.2
231.06396	0.8
233.08037	1.7
235.09663	1.6
239.09064	3.8
243.10106	0.8
245.08165	0.7
247.09673	1.6
261.11191	1.3
263.09064	2.8
279.12335	1.8
289.10605	2.8
307.11786	4.3
325.12744	6.8
357.13263	6.3
359.15543	0.6
377.15921	2.3
389.15884	9.7
401.15900	1.5
407.16776	5.6
419.16919	1.2
431.16348	0.8
443.16635	1.9
469.19354	0.7
479.92087	0.7
499.19272	3.0
517.20062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01857	0.7
57.03426	0.7
61.02898	0.9
66.22976	0.3
67.05465	0.5
67.25312	0.3
69.03422	2.3
69.47698	3.0
71.04997	0.5
72.78191	0.3
73.02884	0.4
79.05467	1.4
79.96859	0.3
81.03401	0.9
81.07034	0.5
83.04974	0.3
83.42108	0.3
85.02892	5.5
91.05466	3.4
93.07034	2.5
95.04942	1.1
95.08575	0.4
96.22831	0.3
97.02898	1.8
98.94106	0.3
99.04430	0.5
103.05460	2.1
105.07003	2.1
107.04939	6.1
107.08552	0.4
109.02883	0.7
109.06483	0.6
111.04424	0.9
115.05391	0.6
117.06989	1.3
119.04911	1.3
119.08549	0.5
121.06475	4.3
123.04399	1.2
123.08025	0.5
124.05196	0.9
125.05958	0.8
127.03876	1.2
128.06215	0.6
129.06982	4.4
131.04916	1.6
131.08554	2.9
133.02846	0.5
133.06458	1.0
135.04379	0.7
135.08022	1.1
137.05946	4.4
138.06644	0.3
139.07510	0.6
141.05547	0.4
141.07062	0.4
143.04872	0.7
145.04951	0.4
145.06454	1.6
147.04398	1.4
147.07997	0.7
148.05133	0.8
149.06023	1.7
151.03885	2.7
151.07510	4.4
152.04649	0.9
153.05455	3.2
153.06671	0.4
157.06473	4.6
159.04422	0.4
159.08032	0.7
161.05956	9.5
161.09564	2.3
163.07518	5.5
165.05589	0.5
165.06978	1.1
165.09117	2.7
166.06258	1.5
167.07025	19.0
167.08537	0.8
168.07370	0.4
171.08023	0.4
173.06042	0.3
174.06720	2.6
175.07518	3.1
177.05486	0.8
177.06949	0.3
177.07478	0.4
177.09044	3.6
179.07014	1.0
179.10732	0.5
180.09264	0.4
181.05003	1.1
181.08562	22.4
187.07642	0.4
188.08290	0.3
189.09073	18.8
190.09387	0.4
191.06937	1.6
191.08612	0.5
191.10635	0.8
193.06540	0.7
193.08594	1.5
194.07158	0.5
195.07961	2.0
196.08725	0.3
197.09634	1.8
201.09015	0.4
203.07083	0.5
207.08154	0.5
207.10092	4.4
208.08681	0.8
209.09584	0.4
210.06709	0.5
211.07555	0.5
211.11131	0.4
212.08359	0.4
217.12186	0.4
218.07204	0.3
219.08015	1.5
219.10118	1.4
221.05927	1.2
221.11624	0.5
222.06715	0.5
223.07495	2.1
223.11066	1.9
224.08142	0.4
225.09071	4.0
226.09526	0.3
227.06952	1.0
227.10651	0.5
227.12659	0.4
229.12169	1.0
230.02678	0.3
235.07468	0.6
236.08186	0.9
237.08983	1.0
239.06970	0.5
239.10649	0.7
240.07793	1.1
241.08574	1.2
242.09348	0.6
247.07452	0.8
248.08269	0.4
249.09027	0.4
251.07016	1.2
251.10623	2.2
253.08545	3.6
253.14316	0.4
254.09299	0.4
255.06442	0.5
255.10109	1.6
257.11664	3.7
264.07843	0.6
265.08575	0.9
267.10120	1.1
268.07632	0.5
269.07950	0.7
269.11649	0.5
270.08871	1.1
271.09464	0.6
271.13293	0.5
279.10275	1.7
283.09619	4.2
283.13257	2.9
285.07993	0.4
285.11136	6.4
286.11581	0.6
296.10474	0.9
297.11118	1.4
299.09177	0.5
299.12726	0.6
301.14407	0.4
302.11487	1.1
303.04962	0.4
305.13638	0.3
309.11118	0.4
311.12701	2.2
314.11566	0.5
315.12158	5.1
317.13776	5.4
327.11987	0.7
328.12860	0.4
329.13785	1.2
331.15424	1.7
341.13666	0.5
343.15326	8.2
346.14169	0.4
355.11856	0.3
361.16379	100.0
362.16748	3.6
372.27444	0.6
373.16534	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.4
57.87861	0.3
67.05486	0.5
69.03408	0.5
69.51815	1.6
69.52248	1.1
71.04953	0.3
73.02890	0.9
79.05471	0.6
85.02886	0.4
91.05450	1.1
93.07015	0.7
95.04943	0.5
97.02825	0.5
97.06512	0.7
98.21473	0.4
99.04413	0.4
105.07014	1.0
107.04923	1.1
107.08553	0.9
109.02831	0.4
109.06516	0.4
111.08111	0.3
115.05412	1.0
116.06268	0.3
117.06979	0.9
119.04945	0.4
121.06478	0.8
127.03915	0.6
128.06180	1.1
129.06979	3.6
131.04884	0.5
131.08557	5.9
133.06468	0.8
133.10086	0.4
137.05930	0.4
139.07483	0.4
141.06938	1.6
142.07774	0.7
143.08510	1.6
144.05695	1.8
145.06476	2.3
145.10071	0.5
146.07213	0.5
147.04373	0.5
147.08112	0.6
147.11665	0.5
153.06952	0.6
157.06483	3.2
158.07242	1.2
159.08023	11.2
161.05923	0.8
161.09576	2.1
163.11185	0.7
167.07007	1.1
169.07596	0.8
170.07220	1.7
171.08043	2.5
172.05188	1.0
173.05954	1.1
173.09581	0.9
174.06728	0.5
175.07523	1.3
177.05397	0.5
181.08617	0.7
186.06554	0.4
187.07503	8.6
189.05423	0.4
189.09062	3.9
190.06169	0.5
193.08569	0.5
193.12262	0.4
198.06711	0.6
199.07529	1.0
201.09088	1.1
203.06966	1.4
204.07768	4.6
205.08508	0.7
206.09352	0.7
207.10165	0.7
209.11487	0.4
211.09679	0.4
216.07770	1.6
217.08499	0.5
217.12198	0.6
218.09294	0.6
219.10172	2.3
221.11708	1.7
227.12782	0.6
231.10144	2.6
233.11703	4.0
234.08824	0.4
235.13406	0.6
236.13559	0.6
237.11166	0.7
249.11176	100.0
250.11502	1.9
251.12753	4.3
253.14301	0.6
254.14636	1.0
267.12241	5.3
269.13568	0.3
270.19009	0.3
373.18024	0.4
388.62784	0.4
401.16638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05504	1.2
57.03423	1.9
65.03949	0.8
67.05488	1.6
69.03407	2.6
69.07031	1.6
71.04977	2.4
71.62994	0.8
73.02898	1.8
75.23659	0.6
79.05482	1.9
81.03419	2.8
81.07046	5.3
83.04973	2.8
85.02894	3.9
85.06499	1.0
91.05482	3.9
93.07033	7.0
95.04956	3.5
95.08586	2.5
97.02877	2.1
97.06518	4.2
99.04444	2.0
103.05447	0.8
105.07021	5.4
107.04947	2.9
107.08572	3.8
109.02874	4.7
109.06496	3.6
109.10139	1.3
111.04385	1.1
111.08059	1.2
113.05976	0.7
115.05421	1.2
116.06178	0.6
117.07023	1.8
119.04905	1.4
119.08548	2.6
121.02838	1.1
121.06490	6.7
121.10103	1.1
123.04411	1.1
123.08047	0.7
123.11684	1.5
125.05973	2.4
125.09575	0.8
127.03894	4.5
127.07537	1.5
128.06195	1.9
129.06989	5.4
129.52498	0.6
131.04883	2.3
131.08578	5.2
133.06465	2.1
133.10100	2.1
135.04431	1.4
135.08031	2.3
137.05983	4.8
138.06329	0.8
139.03888	1.0
139.07521	1.4
141.06993	2.0
142.07802	0.9
143.07024	1.2
143.08531	1.8
144.05655	2.4
145.06491	1.7
145.10104	1.3
147.04402	1.6
147.08038	0.8
147.11674	5.8
149.13142	0.6
151.03900	1.8
151.07501	2.3
151.11154	0.7
153.01817	1.1
157.06483	2.6
157.08646	0.9
157.10072	1.4
158.07135	0.8
159.08032	11.0
161.05981	4.4
161.09589	3.1
163.07513	2.0
165.09064	1.1
165.12715	2.0
167.03358	0.8
167.07048	7.5
168.07295	1.3
169.12196	1.1
170.07251	2.3
171.08025	3.0
171.11641	1.3
172.05251	0.6
173.05968	1.5
173.09584	1.1
174.06694	1.1
175.07533	1.5
175.11137	3.4
177.09137	1.5
178.06265	0.8
179.07069	1.3
181.04956	0.8
181.08623	2.9
182.07050	0.6
183.13766	1.7
187.05995	1.0
187.07498	7.3
189.09091	6.7
189.12758	3.1
191.06938	1.2
193.08571	3.8
193.12253	3.7
199.07596	1.2
199.11159	2.7
201.09038	1.1
203.06970	2.2
204.07787	4.5
205.08545	1.6
207.10109	1.1
207.13747	1.9
209.08054	0.9
211.09560	0.6
211.13251	2.2
216.07806	1.2
217.12206	5.2
219.08342	0.6
219.10107	3.5
221.11678	1.5
225.14842	2.5
229.14163	0.9
231.10136	2.4
233.11716	2.5
234.08772	0.7
235.13290	8.8
237.11154	0.8
243.16048	0.6
249.11192	100.0
250.11522	1.2
251.12712	1.7
253.08740	0.8
253.14304	12.5
253.26433	0.6
267.12302	3.2
271.15363	3.1
275.07697	0.6
281.07938	0.7
283.13071	0.7
289.12744	1.1
307.13675	0.6
315.12604	0.8
341.36066	0.6
343.15369	1.3
345.13333	1.6
361.16394	9.9
379.17545	2.9
397.18686	3.4
412.25262	0.6
415.19504	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63593	0.7
53.03939	1.1
55.01869	1.4
55.05499	1.4
57.03427	8.9
59.04992	1.0
65.03941	1.9
67.05508	1.3
69.03401	4.1
69.07053	0.8
70.06558	0.6
71.01324	0.7
71.04983	49.1
71.62370	0.9
73.02901	3.2
75.04462	3.8
79.05501	1.4
81.03401	2.2
81.07043	2.3
83.04977	4.9
85.02890	76.5
85.06531	0.9
87.04452	1.3
91.05466	100.0
93.07030	2.1
95.04934	1.6
95.08611	1.8
97.02862	4.2
99.04449	2.2
99.08067	0.9
103.03943	1.2
103.05444	1.1
105.07014	4.9
107.04947	3.1
107.08602	1.5
109.02862	1.6
109.10136	1.1
111.04449	3.2
113.05977	0.6
114.98152	0.6
115.05401	0.9
117.06963	0.8
118.97316	0.6
119.04972	1.0
119.08582	1.8
121.06485	2.8
121.10125	1.0
122.06040	0.6
122.28088	0.6
123.04405	1.0
125.06017	1.1
125.20787	0.7
127.03935	3.2
129.05458	28.9
129.06906	1.5
131.04889	1.3
131.08548	0.7
133.06471	2.9
133.10092	0.8
135.08034	1.1
137.05930	4.0
138.06265	0.8
138.31505	0.6
138.55602	0.7
140.07086	1.3
145.04962	1.7
145.06563	0.8
147.04420	1.4
147.06500	16.6
147.07768	1.0
147.11667	1.5
149.05978	1.4
151.03899	1.0
151.07510	1.9
153.01935	1.1
153.05559	0.8
158.08116	1.1
161.05966	5.1
161.09538	0.7
161.13251	0.7
162.06342	0.9
163.07523	1.5
164.09157	0.7
165.05493	0.7
167.03395	2.0
167.07021	7.8
168.07378	1.4
175.07507	1.8
177.05446	1.6
177.09081	8.6
179.07034	1.7
180.07799	0.9
181.05026	1.0
181.08524	4.2
185.07086	2.4
189.09093	2.9
191.06889	1.1
193.08585	9.7
207.10129	1.5
211.09656	1.0
221.11703	2.2
235.13261	0.9
244.40294	0.7
245.08093	5.5
247.05965	1.3
253.08678	1.0
253.14412	0.8
257.08215	0.8
269.08157	2.0
285.11185	1.0
311.09048	1.5
337.10614	4.4
343.15414	1.8
355.11813	2.0
361.16397	11.7
373.12811	2.5
389.11850	1.1
570.24878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.3
55.01856	2.7
55.05500	5.5
57.03419	1.8
61.02895	1.3
65.03919	1.6
67.05491	6.4
69.03416	10.8
69.06733	1.3
69.07057	8.8
69.95517	2.1
69.95924	4.5
71.04981	5.3
79.05483	11.1
81.03404	14.7
81.07040	23.7
83.04962	14.4
83.08601	3.2
85.02892	8.6
85.06515	4.6
91.05455	8.3
93.07026	32.3
95.04955	8.2
95.08588	12.3
97.02881	7.2
97.06507	18.6
98.21404	1.3
99.04430	14.4
101.05997	9.3
101.07049	1.2
105.07009	21.6
107.04945	3.8
107.08576	20.7
109.02861	23.9
109.06493	15.1
109.10137	3.3
111.04433	2.4
111.08060	12.3
113.05973	3.1
115.05396	1.2
117.07011	2.4
119.04941	1.5
119.08558	13.7
121.05643	2.1
121.06488	35.9
121.07366	2.4
121.10120	5.4
123.04404	3.1
123.08030	4.3
123.11696	4.5
125.06000	10.0
127.03900	26.3
127.07526	6.7
128.06161	1.4
129.06987	2.9
131.08540	5.1
133.06477	2.6
133.10100	10.8
135.04391	2.3
135.08023	10.5
137.05934	3.3
137.09607	1.4
139.07506	10.7
140.71658	1.1
141.05440	2.0
141.06926	1.7
142.07767	2.5
143.07016	9.9
143.08498	5.1
145.04948	1.6
145.06488	2.4
145.10092	6.4
147.06523	1.2
147.08037	3.7
147.11662	38.5
149.09526	2.1
149.13197	3.3
151.11108	2.5
153.09055	2.7
155.08499	1.3
156.09346	2.8
157.08592	7.2
157.10097	11.7
159.06636	1.2
159.08023	3.3
161.05962	2.4
161.09642	2.4
161.13254	6.9
163.11162	1.5
165.12729	19.0
166.07738	1.2
167.07056	1.7
169.12215	6.8
171.08044	1.5
171.11671	11.8
173.09602	4.1
175.11172	22.7
181.10092	2.1
187.05971	9.5
187.07520	1.9
189.12692	18.0
191.14275	1.5
193.12189	22.7
199.11151	17.7
205.07085	4.7
207.13760	11.1
209.15218	1.3
211.13248	19.9
215.10774	1.8
217.12207	52.1
218.12624	1.7
219.10085	1.5
229.14240	6.4
233.11757	2.6
235.13252	76.9
236.13573	2.3
249.11195	34.1
251.12843	3.6
253.14313	100.0
253.29828	1.2
254.14668	2.5
257.13809	2.2
267.12302	3.1
271.15381	18.2
281.12152	1.8
289.16406	4.4
293.79987	1.3
295.15430	2.4
305.12271	5.5
307.13144	1.2
313.16281	3.1
319.15424	1.9
337.16464	2.3
343.15390	4.2
361.16440	7.4
379.17429	15.7
397.18533	22.5
415.19653	6.7
433.20609	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.01864	4.7
55.05500	5.9
57.03392	2.7
63.50122	2.7
67.05500	8.5
69.03418	10.0
69.07065	11.4
70.09299	11.0
71.04986	8.7
79.05482	14.4
81.03412	15.6
81.07053	25.1
83.04992	16.5
83.05425	3.1
83.08634	3.1
85.02903	8.3
85.06532	3.6
91.05473	9.8
93.07029	34.1
95.04961	10.3
95.08588	14.0
97.02884	6.7
97.06520	27.6
98.21396	3.6
99.04445	13.5
101.06015	14.1
105.07019	24.2
107.04967	6.6
107.08582	24.0
109.02874	28.6
109.06500	22.5
109.10152	6.4
111.08078	14.7
113.04647	2.3
115.05483	2.4
117.10242	2.6
119.07084	3.1
119.08556	15.5
121.06492	49.6
121.10121	5.9
123.04365	3.8
123.08032	6.5
123.11690	3.4
125.05975	11.6
127.03917	29.7
127.07559	11.3
129.06946	4.5
131.08536	6.0
133.10081	13.6
135.04427	3.1
135.08087	11.3
137.05978	6.5
137.08060	3.7
139.06528	2.7
139.07495	13.6
139.09863	2.8
141.05498	2.6
143.07005	12.2
143.08527	5.4
145.06458	3.0
145.10144	7.5
147.11682	51.2
149.13248	5.2
151.11142	5.7
157.08612	6.6
157.10126	11.6
161.13258	7.3
165.12772	18.0
169.12256	7.9
171.11684	13.7
173.09584	3.5
175.11169	28.4
187.05986	12.3
189.12701	18.4
191.14200	3.0
193.12248	26.8
193.13895	3.7
199.11159	16.7
205.07031	4.9
207.13759	15.4
209.15491	4.0
211.13258	19.9
216.07739	2.9
217.12222	60.9
217.14288	4.4
229.14349	6.5
233.76369	2.9
235.13278	88.0
249.11244	12.7
253.14334	100.0
271.15350	14.5
289.16458	4.7
305.12408	4.7
313.16495	4.6
319.15546	3.2
361.16263	6.8
379.17459	16.9
397.18436	18.4
415.19534	6.6
497.25034	3.6
579.95789	2.7
583.93976	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	568.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.05494	9.6
57.07068	6.8
59.04998	1.6
61.84999	1.4
65.03922	4.2
66.52091	1.3
67.05490	20.4
69.03423	2.4
69.07052	12.6
69.68744	9.3
71.04970	1.6
72.91320	1.4
79.05476	23.7
80.06263	2.9
81.07038	34.1
83.04970	3.5
83.08624	4.5
85.06527	3.5
91.05462	39.0
92.06255	2.7
93.07025	51.5
94.07835	2.0
95.04351	2.6
95.04948	40.9
95.08591	28.9
97.06533	2.1
98.20757	3.1
103.05453	1.7
105.07011	83.3
106.07816	5.7
107.08570	43.5
108.09360	2.8
109.06506	4.6
109.10142	20.7
111.08051	2.7
115.05469	4.7
116.06215	2.3
117.07003	26.3
118.07797	3.7
119.08563	100.0
120.09387	7.4
121.06454	2.0
121.10123	34.4
123.08045	16.3
123.11700	6.4
128.06195	9.0
129.06972	18.7
130.07726	8.5
131.08548	53.7
132.09364	11.6
133.10110	52.0
134.10957	6.8
135.08070	6.9
135.11690	17.0
137.09604	4.4
138.10393	6.8
139.11185	2.5
141.06935	6.7
142.07761	19.0
143.08539	44.6
144.09331	13.8
145.10097	92.0
146.10815	4.6
147.07994	3.2
147.11658	23.4
147.12767	2.1
149.09607	5.0
149.13248	5.3
151.11208	3.1
153.06949	2.8
154.07765	3.0
155.08521	18.4
156.09299	17.9
157.10103	49.4
158.10884	13.6
159.11662	36.8
160.12448	1.9
161.09627	5.1
161.13261	8.0
163.11157	2.6
165.06995	4.9
166.07750	1.7
167.08582	9.2
168.09381	6.0
169.10094	26.8
170.10870	7.1
171.11658	32.8
172.12407	6.9
173.13231	25.7
175.14803	19.2
177.12755	4.2
179.08548	7.9
180.09337	4.0
181.10101	15.0
182.10945	9.2
183.11665	28.8
184.12479	6.6
185.13205	24.9
186.14024	6.0
187.14810	10.7
189.12730	4.5
189.16510	1.7
191.14230	8.6
192.09358	2.1
192.15121	2.7
193.10133	10.1
194.10866	8.2
195.11655	18.6
196.12498	8.1
197.13243	26.6
198.13991	8.6
199.14801	9.4
201.12758	1.9
201.16319	7.9
203.14354	3.3
205.10086	2.3
205.15878	2.3
206.10878	3.8
207.11678	11.2
208.12431	4.4
209.13217	23.0
210.14067	3.1
211.14790	15.4
213.16376	5.3
215.14427	1.9
217.15884	5.0
218.10936	1.7
218.16518	2.1
219.11717	3.4
220.12549	2.4
221.13220	7.6
222.14015	2.7
223.14722	10.1
224.15549	2.5
225.16293	8.9
226.17056	3.1
227.14427	3.0
227.17941	1.8
233.13200	4.4
234.13998	2.0
235.14687	8.0
236.15622	2.3
237.16328	9.4
238.17073	1.7
239.17950	5.2
241.19421	4.2
243.17395	2.0
246.14134	2.1
247.14821	3.3
249.16441	5.0
249.37656	1.4
251.17857	3.6
253.19392	1.6
255.17354	1.9
257.18973	1.6
259.20505	2.6
261.16354	2.6
261.57993	1.6
263.17987	5.0
265.19458	5.2
267.21091	2.8
271.85193	1.5
272.21457	2.1
273.16150	2.4
275.17960	3.7
277.19412	3.8
277.96344	1.5
283.20563	3.5
285.22165	2.4
289.19434	1.6
291.20978	3.4
297.21988	1.7
305.22641	2.1
323.23657	8.8
337.25214	2.9
338.25980	47.7
338.29984	2.7
339.26682	2.9
349.25015	1.8
350.26208	1.5
351.27023	2.4
415.29712	1.7
420.30167	3.0
430.32187	17.5
458.35507	1.9
476.36465	21.9
568.42737	46.4
568.56781	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27538	1.7
53.03948	4.5
55.01862	3.7
55.05495	7.8
57.03430	3.8
59.04998	1.9
61.28087	1.7
67.05484	7.7
69.03417	13.6
69.07053	12.1
71.04968	9.9
71.28126	1.7
71.62319	2.3
73.02882	2.0
79.05488	13.7
81.03403	18.2
81.07043	32.3
82.07372	1.8
83.04967	10.4
83.08590	4.7
85.02890	18.5
85.06522	5.1
86.09618	1.8
91.05468	15.0
93.07030	41.3
94.04167	2.0
95.04959	10.5
95.08595	18.6
97.02865	7.8
97.06522	24.0
99.04448	12.9
101.05988	2.4
103.05430	2.4
105.07012	27.3
107.04933	6.5
107.08572	25.4
109.02867	24.7
109.06501	19.6
109.10124	7.8
111.04427	5.9
111.08063	12.7
115.05475	3.6
115.07552	2.6
117.07018	4.0
119.04922	3.2
119.08556	21.4
121.01976	1.8
121.02814	1.8
121.06486	42.1
121.10117	7.4
123.04404	4.7
123.08061	4.7
123.11722	8.8
125.05973	14.5
125.09550	2.8
127.03895	25.4
127.07522	11.2
129.07019	3.2
131.04890	4.9
131.08528	4.3
133.06468	6.0
133.10106	14.9
135.04401	3.0
135.07129	1.9
135.08000	12.8
135.11661	11.7
137.05956	22.5
137.09621	3.0
139.07549	13.7
143.07013	11.8
143.08507	4.7
143.10660	2.5
145.04930	5.5
145.06448	3.7
145.08553	4.7
145.10100	7.8
147.04367	5.8
147.08015	4.6
147.11668	38.8
149.05986	2.0
149.09549	3.6
149.13206	5.4
151.03883	3.4
151.07475	4.5
151.11169	4.0
153.01805	4.6
153.05415	2.7
153.09035	2.5
155.08542	2.3
156.06633	2.5
157.08578	7.4
157.10101	11.1
159.08012	3.0
159.11626	2.7
160.05228	2.4
161.05937	4.9
161.09608	2.6
161.13225	10.8
163.07552	3.1
163.11159	2.5
163.26422	1.8
165.09126	2.5
165.12737	18.4
167.07008	21.1
168.07452	3.6
169.12209	7.9
171.10271	2.5
171.11627	8.5
173.05894	2.2
173.09573	4.1
173.13193	2.7
175.07573	10.2
175.11151	22.4
177.05464	2.3
179.06993	2.3
181.04932	2.6
181.08585	3.3
181.10172	3.2
183.06503	1.9
183.13860	4.0
187.05986	7.9
187.07532	4.9
189.09052	2.1
189.12735	17.5
191.07005	3.2
191.08888	2.3
193.08571	3.8
193.12225	25.1
199.11139	20.9
203.17902	4.1
205.06882	4.4
205.08621	5.9
207.06432	3.5
207.10101	2.0
207.13762	13.1
209.07999	3.0
209.11674	2.2
209.15430	4.4
211.09491	3.0
211.13214	14.0
217.08788	3.0
217.12218	57.7
219.10199	2.8
221.18967	6.9
225.14920	8.4
229.14366	4.0
235.13271	67.0
239.19934	4.2
243.15701	2.7
249.08441	1.9
253.14328	100.0
257.13904	2.4
265.08328	2.3
271.15323	23.1
279.60504	1.7
289.16425	5.4
296.10092	2.1
297.10849	2.0
306.60184	1.6
313.16464	3.3
319.15323	2.0
333.16684	2.3
343.15372	4.6
357.13373	3.1
358.13419	5.0
361.16263	8.3
371.14865	4.2
379.17453	21.4
389.15921	4.7
397.18530	29.2
415.19580	15.4
433.20657	5.4
538.88959	2.3
550.21179	2.4
568.22748	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01862	0.7
55.05497	1.0
57.03417	1.2
61.02909	1.4
67.05479	1.7
69.03123	0.3
69.03424	3.3
69.07040	1.6
71.04986	1.8
71.06688	1.0
71.49519	0.4
73.02906	1.1
73.41497	0.3
78.34998	0.3
79.05465	1.7
81.03390	1.7
81.07049	4.0
83.04962	0.7
83.08605	0.4
85.02888	10.0
85.06502	0.9
86.09706	2.2
91.03973	0.5
91.05460	1.7
93.07033	3.2
95.04952	1.0
95.08607	2.5
97.02885	3.5
97.06493	0.9
97.10149	0.7
99.04436	1.3
101.06031	0.6
102.72926	0.4
103.05486	0.9
105.07018	2.9
107.04919	1.1
107.08562	2.7
109.02831	1.3
109.06487	1.2
109.10152	1.9
111.04386	0.5
111.08039	0.9
115.05429	2.0
117.07008	1.4
117.68509	0.4
119.08555	2.0
121.02850	1.6
121.06489	1.2
121.10111	1.7
122.03635	0.4
123.04389	0.5
123.08032	0.5
123.11672	1.7
124.07526	0.4
124.99978	1.8
125.05955	0.4
125.09587	0.5
127.03893	2.6
127.05400	0.5
127.07521	0.7
128.06161	2.4
129.06982	9.3
131.04910	1.2
131.08553	1.8
133.06441	0.5
133.10091	1.5
135.08063	0.5
135.11658	2.5
136.70366	0.4
137.05965	3.2
137.09599	0.4
138.06310	0.7
139.03790	0.4
139.07535	0.7
143.04840	0.9
143.06969	0.6
143.08556	2.1
144.05687	1.8
145.04971	2.1
145.06451	2.3
145.10110	1.1
146.07234	0.7
147.04373	0.7
147.07964	0.6
147.11697	2.2
149.05949	0.4
149.09602	0.7
149.13254	0.7
151.03848	0.9
151.07504	1.1
153.01804	0.7
153.05484	0.4
153.12692	2.5
155.04897	5.2
157.06458	4.7
157.08513	0.4
158.07257	2.1
159.08041	1.2
160.05191	2.2
161.05925	1.2
161.09552	1.3
161.13298	0.9
163.07480	0.9
163.11096	0.6
165.05487	0.5
165.12700	1.9
167.06999	2.2
168.07332	0.5
171.08023	0.6
171.13805	1.4
172.05168	3.5
172.08769	0.8
173.05952	5.2
174.06741	14.5
175.07526	10.8
175.11047	0.7
175.14804	0.5
177.05467	1.3
179.07060	0.5
180.08673	1.0
181.04912	0.8
183.04384	1.9
183.06549	0.5
183.13766	1.3
184.07307	6.6
187.07515	34.3
188.08290	5.6
189.05566	0.5
189.07352	0.7
189.09082	14.6
191.06979	0.6
193.12189	0.6
195.13768	0.4
200.04688	0.6
201.05334	1.8
203.06970	4.0
203.10597	0.6
203.17912	1.1
205.04922	3.7
205.08568	1.0
207.06401	0.4
207.13702	0.6
211.07378	0.5
211.09822	0.5
211.13194	0.8
215.06978	25.4
217.12173	1.6
219.10168	0.7
221.19040	0.7
231.10127	0.4
233.08047	100.0
234.08391	1.3
235.13182	1.5
239.20010	0.6
247.09630	20.1
253.14377	3.0
253.17989	0.4
265.10672	31.0
266.11096	0.5
287.05469	1.0
304.28021	0.5
313.11429	0.4
317.24777	1.9
335.25751	5.1
339.12415	0.5
341.34314	0.4
353.26578	1.2
357.13248	0.8
358.13416	0.5
371.27988	0.7
379.17465	0.7
401.15820	1.2
568.22314	0.8
588.17657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15737	2.3
53.03928	5.6
55.05493	10.8
57.07055	10.0
59.04986	3.4
65.03925	2.4
67.05502	19.8
69.03407	6.5
69.07062	15.2
74.07838	2.2
79.05486	23.9
81.07048	36.4
81.99332	2.5
83.04967	4.2
83.08613	6.1
91.05472	35.6
93.07030	56.1
95.04939	9.6
95.08593	45.7
97.06507	2.7
97.10161	3.4
98.20825	8.5
98.21513	5.1
103.05432	2.6
105.07013	65.8
107.08574	36.2
109.06505	9.0
109.10139	29.0
109.10841	4.2
117.06998	13.2
119.08567	77.7
120.08893	5.7
121.06505	4.0
121.10130	41.2
123.08067	15.3
123.11700	11.5
125.05972	5.5
128.06273	6.0
129.07031	8.2
130.07808	5.8
131.08562	32.3
133.10107	41.6
135.08069	10.2
135.11696	19.4
137.09583	14.9
140.16690	2.9
141.07033	3.6
142.07767	12.9
143.08530	24.1
143.09328	2.2
144.09320	4.9
145.10104	46.2
147.08040	23.9
147.11687	15.9
149.09544	2.8
151.07498	11.8
153.06921	2.8
154.65802	2.6
155.08543	7.8
156.09343	6.1
157.10115	36.7
158.10890	4.0
159.08138	3.4
159.11681	20.3
161.09636	4.8
161.13269	7.7
163.11165	5.8
165.07047	3.5
165.09079	42.9
168.09283	4.9
169.10098	18.5
170.10922	3.5
171.11658	19.8
172.12315	3.1
173.09602	3.4
173.13237	10.5
175.14807	13.8
179.08521	4.3
181.10138	6.2
181.12190	9.9
182.10919	3.6
183.11710	16.0
185.13200	12.1
187.11142	2.7
187.14832	5.8
189.12813	4.3
193.10080	5.4
195.11674	9.1
196.12321	4.0
197.13272	10.2
199.14787	9.6
201.16400	2.5
203.14314	15.0
207.11746	6.4
207.13774	6.7
209.13255	9.6
211.14796	12.1
213.16380	5.6
221.13356	4.7
221.15326	87.8
222.15678	4.2
223.14812	7.6
225.16364	6.5
233.13200	3.3
235.14873	6.6
237.16322	7.1
239.17969	2.9
251.17924	3.0
265.19534	3.1
269.18661	2.7
275.17859	3.1
287.20074	3.1
353.24298	4.2
359.27420	8.9
445.31055	2.8
475.35785	12.0
487.35562	7.5
549.40521	3.6
567.41882	100.0
568.42181	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	567.419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
55.05511	9.0
57.07073	7.7
58.94888	1.2
59.96218	1.4
65.03922	1.8
67.05494	16.3
69.03426	4.8
69.07050	9.2
69.47954	6.7
69.48383	5.6
79.05481	12.2
81.07047	26.1
81.53825	1.7
83.04968	3.7
83.08607	4.5
85.06528	3.3
91.05470	24.2
93.06458	2.8
93.07030	43.5
95.04945	5.9
95.08593	29.8
97.06507	2.6
98.21345	4.4
103.05469	3.8
104.06263	1.7
105.07014	49.1
107.08584	30.2
109.06529	3.0
109.10143	22.5
111.07989	1.3
113.00171	1.2
116.10678	1.3
117.06989	9.4
119.08566	56.1
121.06470	2.8
121.10130	34.4
123.08046	10.7
123.11696	7.7
125.05992	2.3
128.06200	4.5
129.07024	6.7
130.07748	3.8
131.08557	17.7
133.06467	2.0
133.07547	1.5
133.10110	28.5
135.08015	9.0
135.11673	11.9
137.09581	8.4
141.06989	2.3
142.07742	8.8
143.08540	19.5
144.09308	3.9
145.10109	37.4
147.08049	16.0
147.11649	11.9
149.09593	2.8
149.13306	1.6
151.07542	8.6
153.09154	1.8
155.08556	5.4
156.09346	8.2
157.10115	27.2
158.10854	2.8
159.11682	22.0
160.12128	1.4
161.09558	3.2
161.13205	8.5
163.11154	7.0
165.07004	2.2
165.09096	39.7
165.10487	2.3
166.07864	2.4
167.08615	2.8
168.09297	2.2
169.10107	12.5
170.10916	5.1
171.11665	13.6
173.09647	2.7
173.13264	11.4
175.14764	10.0
177.12747	1.7
179.08531	2.6
180.09348	2.3
181.10095	6.2
181.12279	9.0
182.10925	5.0
183.11722	12.2
184.12456	2.1
185.13223	10.8
187.14844	5.8
189.12692	2.7
189.16435	2.5
191.10620	2.0
191.14287	1.5
192.09366	1.4
193.10141	4.1
194.10930	2.9
195.11739	11.9
196.12329	2.3
197.13281	9.9
199.14769	6.8
201.16335	3.5
203.14311	15.3
207.11699	4.7
207.13788	5.2
209.13287	9.0
209.15280	3.0
210.13939	2.3
211.11241	1.5
211.14792	9.5
213.16368	2.4
219.11732	1.9
221.13307	5.5
221.15327	85.1
223.14757	4.6
225.16339	2.1
227.17946	2.1
235.14807	4.3
237.16350	6.1
241.19548	1.8
245.13281	1.7
246.14073	1.8
247.14758	2.3
247.17014	2.1
249.16420	2.8
251.18073	2.1
263.17917	2.1
265.19534	2.9
267.21118	2.9
269.18884	1.6
277.19534	1.4
284.29434	37.4
287.20117	3.6
299.20087	2.9
320.93085	1.6
352.23935	2.3
353.24585	2.4
359.27322	8.6
378.24664	1.6
427.30820	1.5
445.30615	2.3
457.13214	1.9
475.35706	9.5
487.35608	6.0
549.40991	3.5
553.41559	1.8
567.41852	100.0
568.42462	3.7
594.95270	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.9
53.03941	4.9
54.15114	0.7
55.01852	3.1
55.05260	1.4
55.05507	17.3
57.03422	3.7
57.07084	1.5
59.04991	2.0
65.03925	1.1
67.05497	60.8
69.03423	12.8
69.07059	10.0
71.04991	5.1
71.63206	1.7
79.05048	1.7
79.05482	20.0
81.03410	41.3
81.07047	37.6
83.04970	10.0
83.08605	8.9
85.02896	3.7
85.06522	2.8
91.05470	14.7
93.07030	24.9
95.04962	5.7
95.08590	13.3
97.02879	9.4
97.06541	4.1
97.10153	7.5
99.04436	3.4
99.08086	1.0
104.13730	0.9
105.07029	5.9
107.04947	2.3
107.08582	16.9
109.02242	1.0
109.02866	6.9
109.06482	1.3
109.10144	30.9
111.04433	8.5
111.08074	3.7
117.07019	5.3
119.08553	5.4
121.06533	1.6
121.10133	8.5
125.09599	6.3
127.03898	9.5
129.05424	0.8
129.07016	1.5
131.08533	5.6
133.10104	4.5
135.08051	2.5
135.11664	2.5
137.09593	1.7
139.11179	1.5
144.09390	0.9
145.10147	2.0
147.11674	1.1
149.09595	1.4
149.13243	12.4
149.14348	1.2
155.10616	0.8
157.10112	1.6
159.11649	5.9
173.04443	1.1
173.11714	11.8
177.12762	3.1
185.13333	1.1
189.11147	4.7
195.13809	9.2
227.12747	2.6
229.14351	3.6
245.14011	1.2
269.17642	2.0
281.13763	2.1
299.14789	10.3
339.18134	2.1
355.17471	8.7
377.19739	1.0
395.20670	2.2
423.27396	8.6
439.26749	1.5
483.65192	0.9
549.30640	2.8
567.31561	100.0
568.31879	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	567.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02336	0.9
53.03936	4.4
55.01871	3.1
55.05507	14.4
57.03420	2.8
57.07071	1.3
57.67710	0.9
59.04986	2.0
65.03934	2.7
67.05500	59.1
69.03420	12.1
69.07062	8.0
71.01319	1.3
71.04982	4.3
71.05354	0.9
71.63296	1.4
79.05486	14.9
81.03409	40.1
81.07050	31.7
83.04964	9.0
83.08612	8.6
85.02878	4.8
85.06522	1.9
91.05462	12.2
93.07036	21.2
95.04951	5.5
95.08590	12.5
97.02878	7.8
97.06532	5.8
97.10165	6.0
99.04462	2.3
99.08066	1.2
101.98302	1.1
105.07029	7.4
107.04929	2.3
107.08581	12.6
108.95800	0.9
109.02877	8.2
109.06493	2.0
109.10142	36.0
111.04417	7.8
111.08054	4.8
115.05470	0.9
117.07021	3.9
119.08588	7.7
121.06481	1.1
121.10140	6.8
123.08057	1.4
123.11670	1.7
125.09637	5.5
127.03914	6.5
127.07559	1.0
129.06958	2.3
131.08572	5.6
133.10118	5.0
135.08022	1.6
135.11690	3.5
137.09599	3.1
139.11212	1.7
143.08481	1.4
145.10136	2.0
147.11665	3.6
149.13260	8.1
155.10672	1.6
157.10112	1.3
159.11714	5.2
161.13336	1.2
163.11200	1.0
169.10124	1.4
173.11758	12.4
173.13167	1.8
177.12778	3.4
179.88603	1.1
189.11176	5.0
189.12674	1.2
195.13760	6.6
197.13239	1.0
205.78726	1.0
213.14778	2.0
227.12764	3.2
229.14331	3.5
269.17590	2.3
281.13852	1.2
285.14758	1.5
299.14871	6.4
303.15720	1.2
314.47906	0.9
321.17059	1.7
337.16367	1.6
339.17972	3.1
355.17377	7.3
387.48145	1.0
395.20605	1.7
423.27411	6.1
493.27808	1.6
503.30026	1.4
531.29523	1.7
549.30127	2.6
567.31555	100.0
568.31805	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	566.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01856	5.6
55.05507	8.4
57.03425	8.5
59.04981	2.9
61.02913	4.0
67.05489	9.1
69.03406	16.5
69.07053	10.7
69.70141	9.8
71.04588	2.7
71.04976	35.5
73.02914	8.5
73.06555	1.3
73.18964	1.3
75.74411	1.3
79.05476	19.5
81.03387	5.4
81.07042	43.0
83.04961	6.1
83.08612	5.5
85.02895	24.6
85.06524	5.4
91.05460	17.4
93.07028	29.8
95.04961	6.2
95.08599	20.3
97.02878	16.3
97.06507	8.7
97.10156	4.3
99.04436	7.1
99.08072	12.2
101.06024	1.4
105.07014	64.5
107.04945	3.5
107.08580	31.9
109.02853	5.1
109.06501	6.1
109.10134	16.9
110.18658	1.5
111.08052	2.4
115.03928	4.6
115.05428	1.7
115.07539	1.6
115.92274	1.7
117.05460	3.3
117.07033	5.0
119.04913	1.7
119.08556	24.4
121.06486	9.7
121.10122	15.1
123.08060	3.0
123.11700	9.1
125.05971	4.9
125.09604	36.0
127.03905	9.9
127.07541	7.5
127.11160	10.0
129.07011	1.9
130.07722	1.9
131.08556	13.5
131.46600	1.8
133.04973	8.1
133.06425	1.5
133.10107	100.0
135.08014	3.6
135.11705	7.2
137.05972	5.8
137.09624	1.9
139.07498	3.4
139.11186	3.4
143.07059	4.4
143.10648	86.6
144.09283	1.5
145.04916	6.6
145.10095	24.9
147.04385	2.1
147.07983	1.9
147.11670	30.5
149.13242	10.9
151.11108	7.9
155.10645	1.3
157.08797	2.2
157.10129	4.4
159.08041	2.5
159.11659	15.1
159.86438	1.4
161.13269	9.2
163.05951	4.5
163.11159	6.0
165.10680	1.6
165.12721	4.6
167.07059	7.3
167.14294	39.0
169.12241	7.5
171.11664	2.9
173.09566	5.3
173.13216	3.4
175.07585	2.1
175.11159	4.0
175.14806	2.1
177.12744	2.0
181.08513	3.4
181.12227	1.6
185.08092	3.4
186.01678	1.6
187.11163	5.9
189.12714	3.9
191.10637	3.7
191.18015	1.8
193.08524	1.8
193.12244	4.1
199.11162	2.7
199.80766	1.5
201.16350	14.9
205.12270	3.5
207.13715	2.0
208.49763	1.4
209.11739	1.5
211.13327	2.0
215.10614	4.1
217.12169	7.3
219.17403	89.7
225.11302	1.6
233.11703	5.2
234.11984	1.5
235.13161	10.7
237.18469	20.4
241.06761	1.4
243.17310	1.5
251.12798	3.6
253.14330	13.5
255.55042	1.4
259.08179	2.1
261.18317	1.9
263.09082	5.0
269.13901	1.9
271.15317	1.6
295.10049	2.2
351.21619	2.4
361.16727	1.7
377.15884	2.1
379.17410	2.9
395.16852	4.8
397.18454	5.0
413.17996	4.5
415.19644	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	9.1
54.07973	2.8
55.01852	13.3
55.02100	3.4
55.05505	16.1
55.84346	3.3
57.03420	11.1
57.07063	3.7
58.96306	2.8
61.02905	8.7
64.02224	3.1
65.03925	4.8
67.05498	23.7
69.03416	34.1
69.07063	29.9
71.04974	42.0
71.62339	5.1
73.02885	12.4
73.06544	4.6
73.64571	3.4
79.05483	42.7
81.03407	24.0
81.07046	88.0
83.04975	33.2
83.08612	7.0
85.02883	42.3
85.06526	21.3
86.05998	3.3
86.09690	3.9
91.05465	37.4
93.06467	4.5
93.07025	70.4
94.06495	3.4
95.04958	36.2
95.08599	34.3
97.02882	31.5
97.06511	51.3
97.10145	6.5
99.04446	36.2
99.08080	14.4
99.62102	3.4
101.05991	13.5
103.05436	6.2
105.07017	96.1
107.04945	19.0
107.08578	63.2
109.02866	30.1
109.06495	40.4
109.10140	26.4
111.04390	7.2
111.08043	12.0
112.07597	4.7
115.03897	6.3
115.05444	4.4
115.07576	3.6
117.05473	8.2
117.06991	13.3
119.04951	5.3
119.08569	48.5
121.06483	40.5
121.10123	49.9
123.04412	9.5
123.08036	9.4
123.11700	9.2
125.05978	29.1
125.09621	33.0
127.03902	26.0
127.07525	29.9
127.11144	7.4
128.06136	4.0
129.05452	4.7
129.06987	6.9
130.07790	4.9
131.04883	5.2
131.07004	7.9
131.08546	34.3
133.04970	6.7
133.06471	11.2
133.10117	91.8
135.04411	7.1
135.08034	18.1
135.11679	18.1
137.05946	43.8
137.09563	5.7
139.07491	10.3
140.07010	6.2
141.05441	3.8
141.06937	4.6
143.07011	27.9
143.08586	17.3
143.10651	72.6
144.05679	3.5
145.04881	13.8
145.06442	10.1
145.10101	100.0
146.10480	3.8
147.04427	5.4
147.08017	6.8
147.11665	45.6
149.05963	7.4
149.09637	7.1
149.13200	10.6
151.03893	4.0
151.07570	16.7
151.11162	9.8
153.01787	6.1
153.05421	7.3
155.07019	8.4
155.08517	4.2
155.10588	3.7
155.58546	3.0
157.10094	12.4
158.07098	6.8
158.08240	4.9
159.08040	17.8
159.11681	43.8
160.12012	3.8
161.06047	6.9
161.09616	8.7
161.13200	11.4
163.07477	7.2
163.11157	56.9
165.05426	5.8
165.12788	8.4
167.06984	15.6
167.14270	26.1
168.07312	4.8
169.10052	9.7
169.12257	7.1
171.07980	5.5
171.11665	11.9
173.09590	47.2
173.13255	6.3
175.07535	7.9
175.11134	10.4
175.14774	6.6
177.12680	3.7
179.03348	7.6
179.10580	7.0
180.03743	7.0
181.04985	7.9
181.12183	16.4
184.07303	8.4
185.09523	4.4
187.05928	4.4
187.07516	12.8
187.11147	66.8
188.11542	4.0
189.09096	10.5
189.12686	13.7
191.10648	34.2
193.08565	9.7
193.12184	11.6
197.09572	3.9
199.11163	11.9
201.16353	15.8
203.07042	5.3
203.10562	7.2
205.08751	4.8
205.12212	40.5
207.13794	9.3
209.11758	9.7
211.11325	4.6
211.13289	9.8
215.10661	37.9
217.08554	13.0
217.12195	31.6
219.07953	4.4
219.17395	75.8
223.13177	5.8
229.14204	5.3
233.11720	50.0
235.13206	31.2
237.18489	27.8
245.07899	3.4
247.13206	4.2
251.10405	6.1
251.12775	62.6
253.14304	48.1
263.09125	29.4
269.13922	22.8
271.15396	9.1
275.12405	3.9
277.08685	3.6
286.59229	3.4
295.09882	4.4
317.13626	4.4
325.16367	6.2
335.14859	3.8
341.13745	10.8
349.54861	3.4
359.14716	10.2
377.15906	60.3
379.17249	11.6
381.22229	4.7
395.16968	70.2
397.18448	12.5
404.34354	3.8
413.12967	5.5
413.18011	68.0
450.23569	3.3
495.23172	4.2
566.22241	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	566.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05669	0.5
51.36949	0.4
54.82235	0.5
57.03409	0.5
61.02911	0.4
67.05480	0.7
69.03429	2.3
69.07064	0.8
71.04984	33.2
71.61757	0.7
78.70438	0.4
79.05495	1.1
81.03402	2.5
81.07042	1.1
83.04975	1.2
85.02894	3.0
85.06535	4.5
91.05453	0.7
93.07021	1.2
95.04951	1.4
95.08619	0.8
97.02869	4.6
97.06537	0.8
99.04443	2.0
101.05999	0.5
105.06998	1.7
107.04922	0.9
107.08599	1.0
109.02863	2.4
109.06461	0.8
113.05986	5.8
117.07016	0.7
119.04910	0.9
119.08537	0.8
121.06467	0.6
121.10143	0.6
121.39551	0.5
125.05985	0.5
127.03898	3.2
127.06599	1.0
127.07540	17.1
131.04881	0.7
131.07022	9.2
131.08511	1.1
133.10188	0.5
137.05954	4.0
139.16269	0.4
141.05435	0.8
143.07004	0.5
144.05600	0.5
145.04912	2.0
145.08578	100.0
147.04408	0.8
149.06006	0.7
151.03966	0.5
151.07492	1.1
153.01813	0.6
153.05421	0.5
155.06981	0.8
159.08096	1.4
159.11623	0.7
161.09586	0.6
163.11186	1.6
167.07042	1.7
173.08095	3.6
173.09508	0.7
175.07520	0.4
177.05452	0.9
179.07014	1.2
185.08023	0.5
187.07549	1.0
187.11127	0.9
191.07372	0.7
191.09122	21.0
191.10527	0.7
193.12320	0.5
203.07082	0.8
205.08662	0.7
205.12210	1.2
215.07014	1.3
215.10689	0.8
219.17435	0.8
229.08664	0.9
233.08125	0.8
233.11757	1.7
251.12761	1.8
253.14375	0.7
257.07968	1.0
257.10330	1.0
263.09192	3.1
275.11322	1.6
290.80975	0.5
293.10071	0.8
299.11304	1.0
313.14398	0.5
317.12399	2.7
331.15338	1.9
335.13358	9.8
377.15793	0.6
387.10739	0.7
395.16989	1.1
413.18024	0.7
464.37466	0.6
472.35059	0.5
483.18869	0.6
515.23218	0.5
566.19611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46441	0.4
53.03923	0.7
53.62514	0.4
55.01863	0.5
55.05494	0.5
57.03429	0.7
59.68153	0.4
61.02915	0.7
67.05487	1.1
69.03415	2.9
69.07056	0.8
70.06574	0.5
70.67735	0.9
70.68127	1.1
71.04983	33.1
73.02911	0.5
79.05482	1.3
81.03411	2.7
81.07037	1.6
83.04964	1.1
85.02885	3.8
85.06535	5.1
90.77570	0.5
91.05475	1.7
93.07022	1.4
95.04946	1.9
95.08584	0.9
97.02885	4.5
97.06508	1.1
99.04417	2.1
99.08075	0.5
100.29806	0.5
105.07001	2.7
107.04943	1.1
107.08566	1.5
107.88374	0.5
109.02890	2.5
109.06517	1.0
109.10116	0.6
111.04401	0.9
113.05996	5.1
115.03964	0.5
115.05497	0.8
117.06996	1.0
119.04939	1.3
119.08545	1.0
121.06478	1.7
121.10151	1.4
123.04400	0.5
123.08041	0.9
125.05978	1.0
125.09650	0.4
127.03924	3.6
127.07542	18.0
129.07019	0.7
131.04915	1.2
131.07025	10.2
131.08006	0.5
131.08553	1.3
133.06471	0.8
133.10077	0.7
135.04355	0.7
135.08047	0.6
135.11685	0.5
136.07582	0.7
137.05980	4.9
141.05386	0.6
141.07045	0.4
143.07022	0.5
144.05690	0.9
145.04941	1.8
145.08578	100.0
146.08913	0.6
147.04382	1.3
147.11674	1.5
149.05983	0.7
151.03903	0.5
151.07524	1.7
153.01794	0.5
155.07057	0.9
157.06480	0.4
159.08017	2.1
159.11694	1.8
161.05962	1.1
161.09599	0.4
161.13144	0.5
163.07515	1.7
163.11186	1.7
167.07037	2.9
167.14281	0.6
173.05966	0.7
173.08087	3.2
173.09630	1.4
175.07593	1.0
177.05461	1.2
179.07021	0.7
181.04962	0.7
185.08093	0.7
187.07559	1.8
187.11153	1.3
189.09001	0.5
191.07137	1.3
191.09116	18.3
193.12239	0.6
201.16315	0.7
203.06972	1.5
205.12251	0.6
215.07057	0.7
215.10634	1.7
217.08635	0.6
217.12132	0.4
219.10193	0.4
229.08582	0.6
233.08116	0.5
233.11740	1.8
237.18272	0.4
251.12761	1.7
253.14523	0.9
257.07959	1.0
257.10052	0.7
263.09091	6.2
275.11240	1.6
293.10236	0.7
299.11234	1.1
311.23022	0.4
313.14520	0.4
317.12259	2.4
331.15363	2.8
335.09705	0.7
335.13342	7.9
377.15802	0.6
395.16931	1.4
413.17880	0.6
448.33057	0.5
483.18411	0.6
566.20819	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	565.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.4
53.03933	3.7
55.05503	14.2
57.07062	6.6
59.04978	2.3
63.39811	1.8
65.03919	4.0
66.98370	1.7
67.05500	20.8
68.42809	1.6
69.03435	2.8
69.07061	16.0
71.62844	2.8
79.05479	22.6
81.03386	1.7
81.07050	24.2
83.04989	4.7
83.08614	7.9
85.06548	4.1
91.05465	31.1
93.07034	39.3
93.71216	1.6
95.04968	12.6
95.08594	32.6
97.06532	8.4
102.92262	1.8
103.05498	3.3
104.38276	1.6
105.07013	68.2
106.91358	1.7
107.08576	33.9
107.09273	2.1
109.02828	2.0
109.06514	7.2
109.10127	21.1
109.10689	2.0
111.08080	2.1
113.09637	3.0
115.05470	4.2
115.93120	1.8
116.06242	2.7
117.06998	12.5
119.08567	67.7
121.06505	1.8
121.10130	38.0
121.22038	1.8
123.08051	10.3
123.11728	6.2
125.06020	3.0
128.06172	10.9
129.06993	16.0
130.07796	7.3
131.08553	27.7
133.10104	50.6
135.08066	4.3
135.11682	17.8
137.09641	4.9
137.13258	2.4
139.11215	4.8
141.07018	6.1
142.07764	17.9
143.08542	33.4
144.09357	5.3
145.10103	46.0
147.08072	5.6
147.11656	14.2
149.09624	5.6
149.13242	2.4
151.07582	3.9
153.07027	3.5
154.07811	3.6
155.08560	14.6
155.10649	4.1
156.09283	14.3
157.10109	44.2
158.10925	7.7
159.08018	2.0
159.11696	24.8
161.09633	5.8
161.13289	5.8
163.11182	4.1
163.14867	2.4
165.06996	6.1
165.09094	8.5
166.07784	3.2
167.08548	11.9
167.10695	3.7
168.09335	3.8
169.10106	19.7
170.10945	6.3
171.11685	24.3
173.09586	2.3
173.13239	23.3
175.14807	8.8
178.07745	2.4
179.08522	13.5
179.14319	2.3
180.09383	4.5
181.10103	14.2
181.12222	5.6
182.10916	8.8
183.11664	19.9
184.12431	3.3
185.13287	15.4
187.14877	5.9
189.12686	2.3
191.14363	2.5
192.09296	4.1
193.10085	15.1
193.11951	2.3
194.10942	9.1
195.11664	19.2
195.13464	2.3
196.12494	4.0
197.13254	19.3
199.14815	14.4
201.16458	3.8
203.14363	3.5
204.09344	2.7
205.10153	4.4
205.15938	1.7
206.10918	5.7
207.11679	19.2
207.13570	3.0
208.12500	6.7
209.13248	23.2
209.15129	3.2
210.13937	2.9
211.14743	15.0
213.16399	4.5
215.14304	2.2
217.10182	3.7
218.10767	3.0
219.11670	7.4
220.12517	6.7
221.13280	20.8
221.15434	21.6
222.14006	5.6
223.14795	13.7
224.15616	2.5
225.16446	3.5
230.10796	2.6
231.11691	5.3
231.13907	2.0
232.12440	4.3
233.13293	11.7
234.14035	4.2
235.14815	12.1
237.16344	10.2
239.18059	5.7
241.19548	2.4
243.11711	3.5
244.12575	1.9
245.13217	9.3
246.14166	5.9
247.14865	9.4
248.15558	3.7
249.16325	9.7
251.18015	5.0
253.19543	3.6
257.13202	3.5
258.14133	4.0
259.14923	6.6
260.15729	3.6
261.16370	8.9
263.17868	10.8
265.19431	10.2
270.14151	2.0
271.14798	3.4
273.16458	5.6
274.17157	2.9
275.17902	9.3
277.19421	9.3
279.20938	3.0
283.20602	2.5
285.16473	5.2
287.17825	2.1
289.19556	6.9
299.17816	2.8
315.21042	3.9
317.22491	4.4
325.19342	2.4
327.21088	2.0
329.22641	3.4
331.24274	8.9
341.22552	3.8
343.24274	4.8
345.25757	4.9
357.25903	4.5
365.24744	2.1
385.28986	2.7
397.28940	3.4
409.29059	4.1
411.71921	2.4
447.80505	2.4
473.34409	4.5
475.85260	2.3
529.38336	2.2
547.39484	9.8
565.32880	3.6
565.40411	100.0
566.40863	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	565.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.7
54.81261	1.2
55.01858	6.8
55.05499	21.2
57.03420	8.7
59.04975	4.3
65.03924	3.9
67.05491	100.0
68.49047	1.3
69.03421	11.5
69.07054	10.2
71.01348	2.1
71.04975	7.9
71.62044	1.6
79.05054	1.1
79.05476	30.0
81.03401	58.6
81.07037	34.2
83.04977	11.0
83.08601	19.3
85.02897	11.7
85.06516	3.5
85.96262	1.5
91.05457	38.5
93.07030	21.1
95.01337	1.5
95.04951	32.4
95.08586	16.0
97.02879	12.7
97.06505	5.5
97.10162	16.7
98.20760	1.3
98.24068	1.4
99.04446	3.3
103.05461	4.5
105.07019	22.1
107.04929	12.2
107.08579	14.9
109.02857	24.1
109.06503	7.7
109.10134	65.4
111.04402	10.4
111.08076	5.6
115.05445	4.1
116.15195	1.3
117.06989	12.6
119.04914	4.2
119.08563	22.0
121.02847	3.1
121.06508	11.1
121.10136	5.4
123.04379	8.3
123.08038	4.1
123.11700	2.8
125.02339	5.2
125.09608	13.7
127.03890	6.9
128.06183	3.4
129.06978	10.2
130.07831	1.4
131.04874	8.9
131.08542	13.2
131.64082	1.3
133.06480	7.6
133.10098	11.2
135.04420	3.7
135.08072	8.3
135.11714	3.2
137.05986	4.7
137.09598	2.7
139.03867	2.5
141.06982	2.5
142.07761	2.3
143.08534	6.1
145.06444	8.0
145.10060	8.3
147.04381	10.1
147.08028	6.2
147.11661	10.9
149.05928	6.2
149.09648	5.5
151.07549	1.8
151.11116	1.5
153.09067	2.3
155.08543	3.0
155.10623	2.2
157.06502	3.0
157.10089	9.0
159.08015	3.2
159.11681	3.1
161.05974	7.4
161.09608	5.8
163.03833	1.7
163.07474	2.7
163.11137	7.8
165.12779	2.0
167.08470	1.5
169.10086	2.8
171.04396	2.6
171.08005	2.7
171.11659	4.4
173.05949	9.6
173.09579	3.0
173.11708	18.5
174.06750	2.3
175.07487	2.5
175.11174	6.7
177.05507	2.0
183.11630	3.0
185.09610	2.6
185.13280	1.8
187.07495	3.2
187.11314	1.6
189.05449	9.4
189.09482	1.7
189.11211	7.2
189.12697	2.3
191.10542	1.5
193.12187	10.6
199.11111	2.1
199.14812	1.6
203.10680	1.9
205.12263	4.4
211.11406	2.0
211.13129	7.7
213.12767	1.6
219.13622	2.0
221.11636	1.9
223.13260	3.6
225.12999	1.6
227.12747	5.3
229.12152	2.2
229.14314	29.4
231.13802	1.7
235.13286	4.8
243.13751	1.4
247.13284	4.5
249.14630	1.6
255.13846	3.0
257.13730	1.6
259.13232	2.5
261.14679	1.7
263.12912	2.5
267.15982	5.5
271.13232	4.2
273.14804	24.5
277.14453	1.9
283.13315	5.7
285.14471	2.7
289.14227	3.1
291.15894	2.9
299.14926	3.8
301.14267	28.2
303.15887	5.3
312.79291	1.3
313.16553	1.5
319.15344	14.7
337.16333	4.5
350.61002	1.5
355.17371	3.3
357.16940	2.3
357.34308	1.3
375.17889	10.5
393.19089	10.5
403.24567	1.6
413.22986	1.8
421.25757	5.5
424.36356	1.4
437.23505	2.5
439.27020	5.5
445.25711	1.6
473.25409	4.1
487.26694	2.3
491.26578	2.3
499.27121	1.7
505.27985	3.4
511.26810	3.3
517.27728	10.3
519.29150	2.0
529.27856	31.1
547.28900	39.4
565.29944	81.1
565.37579	2.9
566.29889	2.9
572.67535	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00301	1.6
53.03462	1.4
53.03925	3.6
54.89809	1.6
55.01853	5.2
55.05493	7.0
64.84144	1.6
67.05499	7.8
69.03422	14.0
69.07063	13.2
71.04971	6.7
79.05483	19.8
81.03412	15.0
81.07048	34.9
83.04976	14.8
83.08598	2.2
85.02892	12.4
85.06519	7.0
91.05460	12.2
93.06464	3.2
93.07033	42.5
95.04960	15.7
95.08601	15.5
97.02892	7.9
97.06519	25.6
99.04446	14.4
103.05457	1.6
105.07011	35.0
107.04925	6.5
107.08582	26.5
109.02866	24.0
109.06495	23.0
109.10139	6.6
111.04401	5.6
111.08074	12.7
113.05998	2.3
117.06989	4.5
119.04891	3.9
119.08561	16.5
120.44460	1.5
121.05643	3.4
121.06494	53.0
121.10116	8.4
123.04418	4.5
123.08062	6.6
123.11677	6.4
125.05971	13.1
125.09618	1.9
127.03899	21.2
127.07565	11.0
128.06187	1.5
129.06978	5.8
131.04942	2.3
131.08559	7.1
133.06483	3.6
133.10110	14.6
134.00545	1.8
135.04410	3.5
135.08049	13.2
135.11693	1.5
137.05952	12.0
137.09613	2.9
139.07513	14.1
141.05426	2.6
143.07028	11.4
143.08557	7.9
145.04935	3.1
145.06453	3.3
145.10124	13.3
147.04341	3.3
147.08022	5.4
147.11673	49.7
149.05980	1.9
149.09572	2.0
149.13310	3.4
151.07498	4.3
151.11182	3.6
153.01828	3.9
153.05530	2.0
155.07005	2.4
156.09348	2.4
157.08560	9.4
157.10098	12.7
158.07266	2.1
159.06548	2.5
159.07951	2.2
159.11687	4.9
161.05968	4.2
161.09569	3.0
161.13235	7.8
163.03923	2.6
163.07484	3.0
163.11162	5.2
165.12712	22.3
167.07024	9.4
169.10059	1.7
169.12189	7.4
171.11644	11.8
173.09616	6.8
173.13152	3.0
175.11172	34.9
181.03491	1.6
181.05017	4.4
181.10167	3.0
181.12215	1.5
185.09566	1.7
187.05988	4.7
187.07562	1.8
187.11188	5.8
189.09071	1.7
189.12730	17.2
191.06902	2.9
191.10669	3.8
192.79747	1.6
193.12209	28.7
197.09560	2.3
199.11166	20.8
201.00163	1.6
205.06955	3.0
205.12201	4.8
207.13805	12.9
209.15302	2.4
211.13275	21.9
213.46094	1.5
215.10672	2.5
217.12213	55.8
229.14334	8.5
233.11652	5.7
235.13268	74.6
251.12688	5.1
253.14336	100.0
269.13892	2.6
271.15390	10.5
287.05356	3.5
289.16370	3.4
313.16428	2.4
317.06473	4.4
319.15414	2.9
343.15228	3.3
361.16461	7.9
377.15622	1.7
378.91608	2.1
379.17502	13.6
387.13629	2.0
395.16925	3.8
397.18491	16.9
413.18140	2.5
415.19247	3.0
565.21509	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	564.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	17.0
57.03419	12.1
57.07072	5.3
67.05497	70.5
69.07063	27.8
71.04965	4.8
79.05489	48.4
81.06568	5.9
81.07047	100.0
83.04972	5.7
83.08594	14.2
85.06523	4.6
91.05457	33.8
93.07034	72.6
95.04957	8.3
95.08587	37.3
97.06525	9.1
97.10141	3.7
98.21498	9.6
105.07008	23.7
107.08583	39.3
109.10158	21.4
117.06978	7.3
119.08572	23.5
121.10139	29.5
123.11694	8.1
131.08543	17.5
133.10106	18.3
135.08067	4.3
135.11662	16.9
135.41646	3.5
145.10095	11.1
147.11661	7.7
149.13231	27.7
151.07452	4.1
157.10112	7.3
159.11662	8.9
161.13210	5.2
171.11598	4.1
173.13150	4.6
173.33546	3.7
175.11165	4.4
175.14851	5.3
177.12769	19.7
195.13773	8.7
219.13777	10.3
221.15224	5.7
261.22086	10.2
269.17432	68.6
327.19577	5.5
335.25745	84.9
404.53748	4.0
467.37106	6.6
473.34009	12.1
529.38867	94.0
530.39026	6.3
564.39130	21.1
565.40240	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	564.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.2
55.01852	6.4
55.05502	18.4
57.03431	15.1
57.07039	1.5
61.02923	8.1
67.05493	56.1
69.03419	7.8
69.06718	2.0
69.07060	26.3
71.01345	1.4
71.04979	7.3
73.02885	2.7
74.87586	1.2
79.05478	40.5
81.03410	15.1
81.07040	65.0
81.39735	1.3
83.04974	13.1
83.08611	12.9
85.02882	10.3
85.06516	5.4
91.03936	2.0
91.05465	34.5
92.38966	1.2
93.07030	48.5
94.14459	1.3
95.04946	10.0
95.08589	23.4
97.02876	7.9
97.06520	19.3
97.10140	5.0
98.21523	2.2
99.04433	2.0
99.08058	2.4
103.03924	2.5
105.07006	26.5
107.04937	6.5
107.08577	30.2
109.02852	2.4
109.06482	6.0
109.10125	9.8
111.04417	1.4
111.08076	8.5
113.06004	1.6
115.05511	1.6
117.06991	14.4
119.07765	2.1
119.08559	21.7
121.06496	3.2
121.10121	18.3
123.08037	5.0
123.11671	5.3
125.09595	5.7
127.03866	3.4
129.05441	2.7
129.06979	3.6
131.08533	15.5
133.06445	1.8
133.10107	20.8
135.08002	3.6
135.11664	20.4
137.09532	4.0
137.13188	1.9
143.08560	4.4
145.10081	14.6
147.11676	12.4
149.09575	11.1
149.13210	14.4
151.11136	3.3
153.12717	1.3
155.08514	3.1
157.10072	3.9
159.11656	27.3
161.13229	5.4
163.11136	8.7
170.70457	1.6
171.10109	2.3
173.04329	2.5
173.11850	1.5
173.13199	7.5
175.11104	3.2
177.12718	24.4
179.14270	10.3
181.12125	3.7
183.11583	2.9
189.11162	1.6
191.10657	1.5
193.12227	3.0
195.13731	8.0
197.13174	1.4
199.14742	1.4
203.11632	1.6
205.19370	2.6
209.11696	1.8
211.13168	2.2
219.13702	1.9
227.12788	3.3
229.14299	2.4
239.17952	4.3
247.20580	4.1
251.16338	4.5
255.15878	49.6
257.18967	9.6
267.15930	3.9
269.17438	100.0
275.20029	27.2
285.17029	2.3
293.21072	1.9
301.16553	1.5
349.23685	68.0
350.23932	2.0
367.24673	21.8
413.21454	2.8
493.27579	2.2
511.28842	4.1
529.29755	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01861	7.3
55.05497	16.7
57.03424	13.7
57.07061	3.3
61.02888	2.9
67.05495	48.7
69.03410	6.4
69.07056	23.1
70.68320	5.9
71.04985	6.8
73.02905	3.1
79.05049	3.5
79.05479	39.0
81.03400	15.7
81.07042	60.2
83.04987	11.3
83.08607	15.0
85.02888	12.9
85.06505	4.0
91.05463	31.5
93.07031	44.5
95.04948	11.7
95.08597	23.8
97.02863	5.3
97.06518	15.3
97.10165	7.2
99.04468	2.0
99.08056	4.2
105.07015	21.2
107.04954	4.7
107.08566	24.0
109.02876	2.6
109.06524	5.2
109.10127	9.9
109.45204	2.0
111.08077	3.7
115.07534	2.3
117.07013	14.1
119.04891	2.0
119.08564	18.5
121.06477	2.4
121.10113	17.8
123.08078	2.9
123.11739	3.7
125.09622	5.8
127.03931	3.9
129.06995	5.4
131.08536	17.0
133.06406	2.1
133.10100	20.6
135.08052	3.8
135.11674	17.1
137.05945	3.8
137.09592	4.9
139.11195	1.8
141.06898	1.6
143.08485	3.5
145.06439	2.5
145.10107	10.4
147.11652	7.1
149.09599	9.1
149.13237	16.0
151.11200	3.5
157.10106	3.9
159.11659	19.8
161.05945	1.9
161.09586	3.7
161.13216	3.3
163.11157	6.3
167.07091	4.1
169.10213	2.4
171.11684	2.5
173.13249	4.0
175.11147	2.2
177.12733	25.8
179.14262	8.4
181.12213	2.4
183.11618	2.9
193.12151	2.7
195.13765	7.3
211.13235	2.9
213.14720	3.1
216.38100	1.6
227.12616	3.1
251.16431	5.3
255.15875	47.6
257.19003	7.3
267.15903	4.3
269.17432	100.0
275.20013	15.5
285.16769	2.2
293.21109	2.1
301.16260	1.9
309.20660	2.6
349.23715	48.1
367.24771	21.5
407.30692	1.7
412.42996	2.3
413.21469	2.9
452.98544	1.9
511.28674	5.1
565.20398	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	564.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67100	0.8
53.03926	1.3
54.28973	0.7
55.01855	3.0
56.66107	0.7
57.03419	2.9
61.02914	5.5
66.16409	0.9
69.03418	5.0
70.78520	0.7
70.78875	2.7
71.04977	0.9
73.02898	1.8
81.03390	3.7
83.01340	1.6
85.02891	21.1
91.03934	1.9
95.04959	1.3
97.02879	8.5
101.02335	1.0
103.05451	2.1
105.06999	1.4
108.01275	1.0
109.02875	1.7
111.04392	1.0
115.05412	2.0
117.06966	1.6
118.04108	1.7
119.03431	4.4
119.04915	1.2
123.04394	1.5
127.03883	4.4
129.06908	1.1
131.04903	15.6
132.05679	1.2
133.06454	3.6
135.04359	0.8
139.03870	3.8
141.06964	5.9
143.03400	4.3
143.04828	1.0
144.05618	1.0
145.02831	0.9
145.04936	4.4
145.06453	1.8
147.04370	2.4
148.05077	1.1
149.05902	0.9
154.06068	1.1
155.03540	1.4
155.04890	1.2
155.06984	3.1
157.02798	1.5
157.06421	4.4
158.07108	1.4
159.04382	3.4
159.08006	1.4
160.05232	1.0
161.05934	8.4
162.07698	1.2
165.05484	1.6
167.07039	4.3
169.04013	0.9
169.06444	9.5
171.04401	3.5
172.05135	1.7
173.05942	3.5
174.03136	0.8
175.03918	3.9
175.07545	2.8
176.04675	3.4
177.05461	4.7
180.07654	3.6
180.08701	4.7
181.04932	1.3
182.09383	1.0
183.07933	1.8
183.14677	0.8
185.05995	4.4
186.06726	4.0
187.03899	14.9
187.07536	5.2
188.04636	1.4
189.01796	1.7
189.05403	11.1
190.06218	1.9
191.06989	28.2
193.08607	3.2
197.05919	10.4
198.06676	1.1
200.04607	1.8
201.05444	2.8
201.09097	3.7
202.06201	1.1
203.03343	1.6
203.06969	3.2
204.04143	14.9
204.07651	1.5
205.04938	1.1
205.08597	2.8
206.05588	1.3
207.06566	2.7
211.07539	2.7
212.04626	0.8
213.05446	3.3
214.06223	3.8
215.03502	1.1
215.06987	10.6
217.04922	5.3
217.08508	4.1
218.05627	3.2
219.06509	20.8
219.09856	1.2
221.07997	3.1
225.05408	2.2
226.06238	2.0
229.05009	1.9
229.08557	9.6
230.05785	1.4
231.02853	2.5
231.06546	7.7
232.07259	2.8
233.08026	5.6
234.05130	1.1
235.05951	4.0
237.07625	1.1
239.06984	1.8
241.04945	1.3
242.05765	3.8
243.06506	11.1
244.03578	1.1
245.04436	9.9
245.08049	8.3
247.05983	1.8
247.09613	10.9
249.07529	3.9
257.08035	13.7
258.08282	0.9
259.05948	1.3
259.09528	0.9
260.06735	24.3
261.07410	2.3
262.04730	4.6
263.05417	3.9
273.07544	6.4
275.09088	99.9
276.09219	1.1
277.04303	1.5
277.07062	16.9
287.05417	8.7
291.08710	1.7
293.10138	2.3
301.07004	10.3
303.01254	1.0
303.08591	1.1
305.70203	0.8
313.52753	0.9
319.08078	37.4
319.11829	1.9
337.09106	100.0
338.09406	1.8
355.10416	1.8
367.10159	2.0
385.11179	12.9
470.42581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01855	4.8
55.05502	31.5
56.13505	1.7
57.03425	9.4
57.07061	5.0
59.04974	1.8
65.03930	5.9
65.83282	1.6
67.05494	81.8
69.03408	3.4
69.07061	24.5
71.04984	7.9
71.08620	2.0
71.33064	3.7
79.05047	3.6
79.05479	48.3
81.03405	22.1
81.07042	78.7
83.04958	12.8
83.08598	21.3
85.02884	10.1
85.06515	3.8
91.05462	44.0
91.20680	1.8
93.07027	54.5
95.04947	16.5
95.08588	60.2
97.06516	9.9
97.10166	14.3
99.08090	6.5
101.12195	1.7
103.05431	1.9
105.07011	36.0
107.04928	3.8
107.08582	37.7
107.96864	1.8
109.06492	5.9
109.10139	32.9
111.04436	5.8
111.08068	10.7
115.05418	2.7
117.06998	14.7
119.08560	35.3
119.09356	3.5
119.99981	1.9
121.06525	3.6
121.10124	29.6
123.08032	5.4
123.11685	10.9
125.05942	2.0
125.09609	10.6
129.06969	10.9
131.08539	31.1
133.06464	2.4
133.10101	27.0
135.08011	3.6
135.11653	18.3
137.09592	2.9
137.13200	2.3
141.06985	2.1
142.07690	2.2
143.08540	6.3
145.10107	24.1
147.08002	3.8
147.11673	18.1
149.09592	4.6
149.13260	11.6
151.11217	2.3
153.12766	3.2
155.08566	4.5
157.10101	15.6
159.11649	15.2
161.13232	9.3
163.11209	6.7
163.14838	3.4
169.10143	4.9
171.11716	10.0
173.09624	2.3
173.11790	2.7
173.13182	11.4
175.11186	7.8
175.14799	3.0
177.12752	2.1
179.14323	4.1
181.10037	2.5
181.12305	2.8
183.11656	4.1
185.13268	7.1
187.14789	4.8
189.11197	5.0
191.10634	1.9
191.14348	1.9
193.12201	18.6
195.11862	1.8
195.13780	2.4
197.13167	3.7
199.14799	4.1
201.12839	2.3
201.16486	2.2
204.08749	1.8
209.13440	2.4
211.13219	27.1
211.14922	2.2
213.12524	1.9
225.16400	2.1
227.12729	8.6
229.14288	5.7
243.15906	2.6
243.21140	2.3
245.18839	1.9
261.19510	2.7
261.22058	15.3
267.15866	5.9
268.16058	2.2
277.21506	3.2
279.23184	3.4
283.15283	2.6
285.16971	14.7
285.21954	4.0
287.20111	3.1
301.25336	4.1
303.23203	6.6
317.24750	5.4
335.25742	30.9
341.24808	2.1
435.32297	9.3
453.33594	10.3
471.34384	9.5
473.32904	3.4
487.33997	4.1
489.35556	4.0
509.36359	4.5
527.37219	34.2
545.38251	100.0
546.38690	3.8
563.39410	46.3
565.13684	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09226	1.5
53.03936	4.3
54.67795	1.4
55.01856	5.1
55.05260	2.0
55.05506	31.7
56.54545	1.6
57.03428	10.6
57.07063	2.9
63.25511	1.5
65.03920	3.2
67.05496	72.8
69.03416	2.6
69.07061	22.6
69.59108	13.0
71.04974	7.1
79.05054	2.7
79.05486	43.1
81.03410	20.6
81.07047	86.5
82.07377	3.3
83.04974	11.7
83.08605	22.0
85.02894	5.2
85.06531	3.8
91.05471	41.2
93.06459	3.0
93.07036	47.7
95.04959	12.9
95.08596	50.1
97.06503	9.2
97.10152	15.1
98.21468	2.8
99.08077	5.3
103.05447	2.1
105.04530	2.0
105.07027	37.5
105.07742	1.9
107.04940	4.3
107.08581	34.7
109.06490	6.1
109.09445	2.5
109.10154	30.7
111.04430	6.1
111.08065	8.1
113.06003	1.6
113.09651	3.0
117.06992	16.6
119.08566	33.1
121.06464	1.9
121.10129	24.6
123.08069	5.9
123.11707	9.6
125.09613	11.2
129.07008	10.0
131.08551	26.0
133.10117	28.2
135.08028	5.6
135.11656	18.9
137.09546	3.9
137.13235	3.1
139.11157	2.2
141.07063	2.0
142.07741	2.8
143.08546	7.4
145.10094	21.7
147.11662	22.4
149.09595	5.0
149.13235	9.6
151.11194	1.9
151.14816	1.6
153.09149	1.8
153.12750	3.5
155.08505	2.7
157.10132	10.8
159.08061	1.8
159.11655	14.7
161.13277	8.3
163.11171	6.4
163.14813	4.3
165.12733	2.5
169.10092	4.6
171.11584	8.8
173.09660	2.5
173.11864	2.3
173.13260	12.9
175.11162	5.2
175.14835	4.4
177.12706	2.3
181.10184	2.0
181.12209	3.6
183.11650	5.0
185.13274	5.7
187.14798	6.0
189.11176	6.3
191.10684	2.1
193.12221	14.0
195.11726	2.4
195.13611	2.1
197.13292	3.2
199.14835	3.3
201.16379	3.7
208.43347	1.6
209.11580	2.3
209.13322	2.4
211.13235	22.6
211.14922	3.0
223.14735	2.1
225.16281	1.8
227.12729	10.7
229.14323	5.9
243.21120	1.7
249.18552	1.8
261.22153	12.6
263.20279	1.6
267.15942	6.1
269.17285	2.0
273.22025	1.8
275.20316	2.1
279.23206	3.4
285.16962	12.9
285.22049	4.8
289.21555	1.8
299.23550	2.7
301.25177	4.3
303.23221	7.0
315.23425	1.8
317.24753	4.1
323.23669	1.7
327.22958	2.2
333.24319	1.9
335.25763	21.1
417.31409	3.2
433.29257	1.8
435.32477	8.7
453.33673	11.7
471.34644	11.8
473.32642	2.8
487.34097	5.5
489.35901	3.4
509.36179	2.9
527.37262	36.8
545.38330	100.0
546.38110	3.9
563.30878	2.6
563.39282	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59347	1.7
53.03932	4.8
55.01853	7.5
55.05501	37.0
57.03436	10.4
57.07051	2.5
59.04983	2.0
59.30323	1.4
62.89722	2.0
65.03924	3.6
67.05494	82.8
69.03418	3.7
69.07056	23.4
69.70380	5.5
69.70812	6.8
71.04988	7.8
79.05478	45.1
81.03410	18.8
81.07043	86.8
83.04967	13.8
83.08609	22.7
85.02910	8.5
85.06530	3.7
86.91847	1.7
90.69556	1.5
91.05466	39.3
93.07029	51.9
95.04945	16.1
95.08592	56.9
97.06530	8.7
97.10155	18.0
99.08074	5.7
105.07015	37.9
107.04961	3.5
107.08573	33.9
109.06475	6.3
109.10142	27.6
111.04439	4.3
111.08068	8.4
113.09635	2.4
115.05370	2.6
117.06998	17.5
119.08561	37.8
121.06489	3.3
121.10118	25.5
123.08036	4.4
123.11692	15.1
125.09613	13.2
128.06169	1.6
129.06973	9.2
130.07713	1.8
131.08560	28.0
133.06468	3.6
133.10115	24.1
135.08055	2.8
135.11705	16.3
137.09596	4.5
137.13260	3.2
139.11148	2.8
141.59149	1.7
142.07729	3.4
143.08559	11.3
145.10088	22.7
147.08009	2.5
147.11661	22.1
149.09596	5.8
149.13202	9.1
151.11171	2.5
153.12724	2.6
155.08495	6.3
157.10095	16.8
159.11661	16.8
161.09653	2.5
161.13268	9.6
163.11136	6.7
163.14789	3.4
165.12741	3.8
167.08665	1.7
169.10115	5.1
171.11595	7.9
173.13260	11.2
175.11179	6.9
175.14804	5.1
181.10043	1.6
181.12242	4.3
183.11633	5.7
185.13254	7.8
187.13303	2.7
187.14844	6.5
189.11203	7.5
191.10641	2.4
193.12183	16.3
195.11673	3.2
197.13193	4.2
199.14816	3.9
201.16368	2.5
211.13202	26.2
211.14925	3.2
213.16440	3.6
227.12712	11.0
229.14372	5.1
241.19322	2.4
243.15878	3.2
259.20642	2.3
261.22101	7.9
267.15958	4.9
267.21057	2.4
269.17322	2.5
273.18491	2.3
275.19858	2.6
277.21732	2.4
279.23148	5.7
283.15225	2.9
285.16904	14.8
285.21985	3.6
287.19962	2.0
301.25266	3.9
303.23117	7.7
315.22961	2.1
317.24692	3.8
335.22342	2.4
335.25809	18.2
340.71017	1.8
351.25128	1.7
359.25821	5.3
361.24191	2.1
373.27902	1.9
377.26981	3.2
417.31424	3.4
421.47650	2.2
435.32483	9.7
453.28821	1.6
453.33780	11.6
471.34756	10.2
473.32614	4.0
487.34055	5.5
489.35583	5.4
491.33725	2.3
509.35995	4.7
527.29956	3.0
527.37280	40.4
528.37982	3.1
545.38287	100.0
546.38654	4.8
563.30762	3.2
563.39301	47.9
564.39624	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.8
55.01859	6.4
55.05257	2.5
55.05503	31.8
57.03434	11.9
57.07061	2.8
59.04990	2.0
60.76753	1.5
63.43135	1.4
65.03925	4.8
67.05495	76.2
69.03409	3.9
69.07058	23.8
69.59321	11.6
71.04982	5.3
71.19874	1.4
79.05480	42.3
81.03410	22.5
81.07044	87.3
83.04971	12.8
83.08606	23.1
85.02892	8.8
85.06514	5.8
91.05468	45.4
93.06459	3.3
93.07031	53.8
93.51218	1.5
95.04950	14.8
95.08595	54.3
96.25321	1.4
96.48380	1.4
97.02863	1.5
97.06527	12.2
97.10152	17.9
98.20683	1.9
99.08069	4.9
105.07014	41.5
105.07670	3.0
107.04932	5.1
107.08582	43.6
108.24806	1.5
109.06505	5.4
109.10141	35.7
111.04425	5.9
111.08092	7.6
113.05981	2.3
115.05437	2.1
117.06998	15.4
119.08566	36.4
121.06493	3.6
121.10116	28.4
123.08038	3.7
123.11707	12.3
125.05898	1.6
125.09592	12.7
128.06221	1.8
128.56676	1.6
129.06996	11.1
131.08545	30.9
133.10109	29.3
135.08044	4.8
135.11655	22.7
137.09624	4.7
137.13237	3.5
141.06963	3.1
142.07742	1.8
143.08577	7.8
145.10098	28.4
147.08018	2.5
147.11649	22.5
149.09665	7.7
149.13220	12.1
151.11165	2.3
153.09081	1.5
153.12691	5.8
155.08546	7.0
157.10089	15.5
159.07944	2.0
159.11658	20.7
161.09659	1.7
161.13208	11.4
163.11165	6.9
163.14821	2.1
165.12779	2.0
169.10150	7.1
171.11612	7.1
173.11855	3.0
173.13231	15.5
175.11214	8.3
175.14792	6.5
177.12611	2.2
181.10191	3.3
181.12238	4.6
183.11717	6.5
185.13280	7.4
187.13322	1.8
187.14758	8.2
189.11183	7.2
189.12752	3.3
191.10629	2.0
191.14259	2.5
193.12183	20.9
195.11749	2.2
195.13805	2.2
197.13200	3.8
199.14801	4.4
201.16351	3.1
209.13316	3.7
211.13234	33.0
215.14378	1.8
223.14807	3.1
225.16394	2.0
227.12740	11.0
229.14235	7.3
233.15353	2.3
234.37582	1.6
243.21094	1.8
261.22165	13.8
267.15863	4.3
267.20966	2.7
275.20065	2.2
277.21545	3.3
279.23087	3.7
283.15469	3.6
283.20691	1.8
285.16940	15.8
285.22083	6.5
299.23615	4.2
301.21600	3.0
301.25198	4.2
303.23242	8.4
317.24689	4.5
319.22672	2.0
323.23541	2.0
335.25806	16.7
351.25479	2.6
359.25772	4.0
373.27185	2.0
391.28430	1.7
417.31369	4.4
433.29120	2.3
435.32669	11.7
453.33594	15.4
471.34766	12.6
473.32587	6.6
487.33871	3.7
488.21127	1.6
489.35541	4.4
491.34454	2.4
509.36523	3.2
527.37177	43.7
528.37610	2.0
545.38324	100.0
546.38696	3.5
563.39362	48.8
564.39771	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01875	2.7
55.05499	16.0
57.03431	13.4
57.07059	2.2
65.03938	2.2
67.05494	59.3
69.03396	1.7
69.07062	16.8
70.18991	6.3
71.04973	3.8
79.05482	36.2
81.03396	1.5
81.07043	100.0
83.04955	4.1
83.08607	9.0
84.41018	1.3
85.06524	3.4
91.05473	26.1
93.06466	2.7
93.07027	38.9
95.04935	4.0
95.08593	45.9
97.06503	4.3
97.10139	2.7
99.08075	3.2
105.07016	33.8
106.07334	1.3
107.08572	28.8
109.06492	4.0
109.10138	20.1
111.08031	2.4
117.06978	6.9
119.08566	28.7
121.09306	1.9
121.10126	27.1
123.08030	3.7
123.11693	20.8
125.09606	1.4
126.39068	1.1
127.07561	2.5
129.06952	2.0
131.08557	12.0
133.10114	8.5
135.07945	1.5
135.11658	11.0
137.13216	5.0
143.08440	1.2
145.10071	6.7
145.26135	1.3
147.11662	40.2
149.09578	1.4
149.13219	7.3
157.10078	3.5
159.11664	5.6
161.13219	3.9
163.14780	3.6
165.12729	21.4
169.10149	1.2
173.13252	7.2
175.11162	2.1
183.13791	1.4
187.14799	2.9
192.91014	1.1
229.14297	5.2
243.21019	8.5
261.22073	27.6
267.15881	37.3
279.23175	5.8
285.16922	35.9
317.24707	7.5
327.51901	1.3
335.25754	64.3
336.25778	1.3
337.26407	1.5
353.26746	1.8
453.33423	2.7
471.34100	2.2
527.36871	4.9
545.38086	28.3
563.39166	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	562.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.8
55.05496	6.6
57.03429	6.3
67.05492	18.9
69.03411	1.7
69.07058	6.6
69.54480	6.6
71.04978	2.0
74.09698	1.3
79.05480	11.7
81.03406	35.9
81.07041	32.4
83.04961	5.4
83.08607	9.5
85.02893	1.2
85.06514	2.0
90.62459	0.8
91.05464	14.9
93.07034	9.7
95.04961	9.2
95.08597	10.0
97.02878	1.0
97.06515	4.0
97.10159	1.6
99.08060	1.5
101.06040	0.8
105.07018	17.6
107.04950	4.4
107.08574	8.3
108.08898	0.8
109.06499	3.3
109.10126	3.1
111.04398	1.2
111.08087	4.6
113.06009	1.2
115.05457	0.7
117.06998	1.6
119.07779	1.3
119.08560	14.3
120.08904	0.9
121.06493	2.1
121.10124	10.3
123.08039	2.9
123.11689	11.5
125.09634	0.9
129.07001	4.2
131.08540	5.1
133.06451	2.2
133.10107	5.4
135.11667	1.7
137.09573	1.8
137.13205	1.1
142.07726	1.1
145.10094	1.6
147.08003	2.0
147.11667	27.4
147.96423	0.7
149.09605	3.1
151.11119	1.0
157.10092	3.8
163.11147	1.5
165.12712	10.6
175.11147	5.2
183.13770	1.2
193.12198	13.4
205.22020	0.7
211.13249	2.9
227.12869	1.3
229.14328	2.2
249.14790	1.1
266.51315	0.7
267.15872	100.0
268.16345	1.0
285.16916	38.7
301.16415	0.9
459.27188	4.5
465.28650	1.2
477.28436	45.4
478.28671	1.5
527.28876	0.8
544.36243	1.0
562.33423	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.9
55.05501	10.6
56.01278	0.8
57.03424	13.1
67.05490	18.4
69.03415	2.9
69.07068	4.9
69.45150	3.5
69.45577	4.7
71.04972	3.0
72.09428	0.9
72.65678	0.9
79.05474	18.0
80.56869	0.9
81.03405	71.2
81.07037	19.1
83.04960	9.5
83.08605	18.9
85.02894	8.8
85.06483	1.0
87.76408	0.8
91.05463	26.5
93.07027	12.4
95.04955	22.9
95.08586	7.1
97.02869	3.3
97.06514	2.3
97.10161	3.1
105.07014	16.4
107.04933	7.4
107.08570	7.0
109.06506	4.6
109.10135	4.0
111.04418	2.0
111.08069	6.5
115.05436	1.0
117.06998	1.7
119.04889	1.2
119.08565	14.7
121.06505	2.8
121.10101	6.8
123.08041	2.8
123.11755	1.4
125.09595	2.2
129.06981	10.5
131.08546	9.1
133.06471	3.9
133.10133	4.6
135.08072	1.1
137.09593	1.4
142.07794	2.3
143.08571	1.2
145.06465	3.3
145.10092	1.7
147.08022	3.8
147.11676	11.1
149.09590	3.9
155.08575	1.1
157.08113	1.1
157.10123	13.7
163.11154	1.5
165.12704	2.1
175.11160	10.9
193.04216	1.0
193.12215	31.5
211.13234	14.9
227.12631	1.2
229.14380	1.1
233.15395	1.5
237.12717	1.0
249.14813	1.8
255.13861	2.0
267.15872	100.0
273.14746	2.2
285.16879	21.4
301.16315	1.2
319.02762	0.9
329.17441	1.0
339.22794	1.3
349.21539	2.8
367.22583	8.8
385.23538	11.3
403.24680	2.5
405.24185	1.3
433.25729	9.5
441.26242	4.0
459.27350	53.4
460.27612	1.0
477.28381	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01658	1.9
55.01868	23.4
55.05500	26.0
57.03429	24.5
57.04759	2.5
57.07063	2.8
61.02894	4.2
65.03918	4.7
67.05495	61.2
69.03415	7.5
69.07062	23.6
70.88074	4.8
71.04974	7.1
73.02913	4.5
79.05044	3.7
79.05481	43.7
80.06212	2.2
81.03409	25.2
81.07046	70.8
81.32176	1.8
82.04177	7.5
82.07376	2.9
83.04968	20.9
83.08604	21.9
85.02898	6.5
85.06522	6.5
91.05470	50.5
91.47864	2.3
93.07034	41.2
94.07344	3.1
95.04967	32.5
95.08598	25.4
96.08974	2.7
97.02860	6.9
97.06505	9.2
97.10149	14.6
98.07274	3.9
99.04434	4.1
99.08067	2.6
105.03383	2.4
105.07018	44.6
107.04967	11.6
107.08579	40.2
109.02876	3.1
109.06509	10.1
109.10147	50.0
111.04414	3.8
111.08064	6.7
115.05453	2.2
116.04682	12.2
117.06996	10.5
119.08571	22.7
121.06476	6.6
121.10135	11.9
123.08038	9.0
123.11675	9.4
125.09599	17.7
127.03902	3.6
127.07515	4.0
129.05466	34.5
129.06978	6.8
131.08549	16.4
133.06485	6.7
133.10112	57.7
135.08017	10.4
135.11673	10.0
135.81364	2.0
137.09599	2.5
143.07037	6.2
145.10089	12.0
147.07999	4.8
147.11665	11.8
149.09634	13.2
149.10712	2.3
151.11169	22.9
153.09079	2.8
157.08585	15.1
157.10098	6.4
159.11722	3.9
161.09579	5.2
161.13148	2.4
163.11145	8.6
169.10141	2.7
169.12227	4.7
171.10179	4.9
173.09476	3.7
175.11140	8.9
177.09074	2.8
177.12761	2.4
181.12215	3.2
184.56715	2.1
185.11705	2.4
189.11182	6.4
189.12749	3.0
193.12212	8.8
199.13268	4.8
200.14076	3.0
209.11707	6.1
209.79785	2.1
211.13350	3.5
215.12718	3.8
227.12709	14.3
229.14249	3.1
253.14330	100.0
263.20056	3.4
267.15826	11.5
269.17279	2.0
271.15390	15.3
273.18399	15.0
275.20172	4.9
276.20270	2.7
283.15286	6.3
285.17065	4.8
291.19547	20.6
301.16425	74.5
347.22153	6.1
365.23178	72.8
459.27396	6.0
477.28073	6.8
493.27615	2.6
527.28400	27.8
544.36914	11.0
562.38110	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	562.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.0
55.05507	11.4
57.03207	1.0
57.03434	9.4
57.07058	1.4
61.02911	2.8
64.51666	1.0
67.05496	40.2
69.03416	4.7
69.07062	12.6
69.82420	6.6
71.04970	4.0
73.02909	1.1
76.38713	1.1
79.05483	23.9
81.02921	1.5
81.03406	27.9
81.07047	45.1
82.07360	1.5
82.49193	1.2
82.81679	1.0
83.04977	12.8
83.08620	9.2
85.02895	5.7
85.06513	6.4
91.05470	40.3
93.07027	26.1
94.13618	1.1
95.04966	14.5
95.08590	13.5
95.32513	0.9
97.02853	2.7
97.06549	5.3
97.10163	4.2
99.04442	2.1
105.07018	30.4
107.04960	8.2
107.08582	28.4
109.06511	5.3
109.10139	39.4
111.04447	1.9
111.08054	3.0
113.06017	2.5
115.07535	1.3
117.07017	3.6
119.08582	12.0
121.06499	5.3
121.10116	8.3
123.04373	1.2
123.08039	4.4
123.11678	8.3
125.09636	2.5
127.07548	2.0
129.05568	1.2
129.06990	5.8
131.08543	11.1
133.06473	4.9
133.10112	55.3
135.08046	7.2
135.11678	2.7
137.05937	1.3
137.09610	3.1
139.07660	1.1
142.07759	1.4
143.08539	3.9
145.10103	4.9
145.98590	0.9
147.08032	3.2
147.11684	6.6
149.09605	8.9
150.18951	1.1
151.11157	26.3
153.12741	1.1
155.08583	1.3
157.10152	6.3
159.08052	2.2
159.11697	1.7
161.09616	6.5
163.11133	1.3
165.09100	1.0
165.12755	1.4
169.12222	4.6
175.11179	4.5
177.09055	1.7
179.10634	1.6
181.10104	1.2
185.13277	1.4
193.12218	10.8
211.13219	8.1
215.12802	2.7
230.21233	1.0
231.02660	1.0
235.13211	1.2
245.19048	2.5
251.12883	1.4
253.14326	91.2
254.14694	2.0
255.17409	2.0
263.20102	3.6
266.19119	1.0
267.15851	16.0
269.13779	3.0
271.15372	13.5
273.18423	13.3
282.63913	1.1
283.15176	1.8
285.16913	7.2
291.19498	14.5
309.20380	2.0
319.22678	1.2
344.94080	1.1
347.22076	7.4
365.23187	100.0
366.23605	2.6
383.24255	2.5
385.23721	3.2
426.33810	1.3
441.26135	1.3
459.27322	17.7
477.28448	28.7
495.29318	1.4
527.28387	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.3
53.03930	4.0
55.01852	3.8
55.05503	27.4
57.03434	7.4
57.07079	6.1
57.26361	1.2
59.05000	1.3
59.41932	1.4
65.03927	4.6
67.05495	78.8
68.49512	1.4
68.55021	1.1
69.03410	2.9
69.07061	21.2
70.61842	1.2
71.04984	13.8
71.08617	3.4
79.05485	46.6
81.03404	29.9
81.07045	82.6
83.04959	10.6
83.08605	18.8
85.02889	13.9
85.06530	2.5
91.05465	40.8
93.07030	38.4
95.04951	17.8
95.08591	50.7
97.02865	2.2
97.06521	8.9
97.09612	1.1
97.10130	8.0
98.20739	2.4
99.08053	3.6
105.07017	32.9
107.04935	4.4
107.08581	25.0
109.06516	4.7
109.10146	24.3
111.04440	1.5
111.08057	5.2
113.09648	1.2
115.05479	1.3
117.07014	6.1
119.08556	24.4
119.09338	1.8
121.06478	3.2
121.10139	19.3
123.08033	3.5
123.11703	6.6
125.09608	4.2
129.06956	7.8
131.08546	13.2
133.06500	2.0
133.10117	16.9
135.08052	1.9
135.11681	10.8
137.09557	1.8
137.13274	2.2
141.06966	2.1
143.08575	3.9
145.10080	7.8
147.08023	3.5
147.11655	11.3
149.09552	3.2
149.13248	5.4
151.11168	3.6
155.08528	2.8
157.10056	7.9
159.11664	5.0
161.13232	4.5
163.14799	2.2
165.09076	1.5
169.10135	2.6
171.11703	4.7
173.13232	3.7
175.11127	6.1
175.14784	3.0
177.12778	1.6
177.16322	1.8
183.11639	2.4
183.13754	3.0
185.13232	1.8
193.12201	24.1
195.13765	2.3
199.14755	1.7
211.13237	23.3
211.14981	2.2
221.15297	2.2
227.12779	2.8
231.81677	1.3
267.15903	7.7
269.13141	1.2
275.20087	2.4
277.25189	3.4
281.17404	3.4
283.15402	1.8
285.16733	1.8
293.20972	4.9
297.11206	2.3
317.24643	1.6
335.25806	1.4
337.27261	3.4
351.28909	5.8
405.27802	1.9
469.31271	2.5
469.37213	1.7
517.38446	4.6
529.38861	4.6
543.39734	14.1
561.42200	100.0
562.38287	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.1
53.03947	3.8
55.01861	2.5
55.05502	20.5
57.03424	4.3
57.07073	3.9
59.05000	1.3
65.03928	4.6
65.65096	0.9
67.05493	77.7
69.03427	3.2
69.07052	16.3
70.53686	0.7
70.75809	2.9
71.04982	46.2
77.03871	0.9
79.05479	54.7
81.03422	2.9
81.07043	90.0
82.07355	1.1
83.04970	10.9
83.08606	12.1
85.06532	4.8
91.04967	0.7
91.05466	53.8
93.07028	58.4
95.04961	10.4
95.08590	41.1
97.06506	8.9
97.10152	3.6
99.08097	2.7
103.05451	1.1
105.04523	1.9
105.07011	31.9
107.04932	1.5
107.08573	30.9
109.06486	3.8
109.10136	18.6
109.65589	0.7
111.08069	4.0
113.09649	0.7
117.06988	10.8
119.08555	14.4
121.06509	1.2
121.10120	20.5
123.08097	2.1
123.11691	15.7
125.09608	2.5
129.07004	2.8
129.96883	0.9
130.07825	1.0
131.08549	17.1
133.10112	30.3
135.08080	1.1
135.11676	15.1
137.09567	1.2
141.06987	0.8
143.08571	3.5
144.09325	0.9
145.10098	9.6
147.11679	6.6
149.09589	1.6
149.13257	11.2
151.11150	11.9
155.08565	1.3
157.10144	3.3
159.11664	12.3
161.13203	5.6
163.11250	1.3
163.14825	2.0
165.12766	0.8
167.14272	1.1
169.10133	1.7
169.12231	1.3
170.83098	0.8
171.11719	3.5
173.13208	4.7
175.14842	2.7
177.12709	3.9
179.14268	1.7
183.12010	1.6
183.13776	16.3
183.15291	1.2
185.13252	2.5
187.13336	2.4
187.14891	1.9
189.16357	0.9
195.13771	5.3
199.14835	1.5
201.14856	1.3
201.16545	1.3
209.15262	1.2
211.13243	1.4
211.15021	1.3
213.14789	1.7
227.16437	2.1
253.17944	1.7
257.17468	1.0
259.20630	0.9
261.22006	3.8
267.15811	0.9
268.69299	0.8
269.17468	3.2
275.20102	1.9
283.16013	0.8
283.19183	3.1
285.16928	3.7
289.21585	1.5
317.24631	0.8
335.25839	1.8
349.27222	1.1
361.27258	1.7
363.25290	2.6
422.18457	0.8
437.34171	3.0
455.35254	1.7
511.37927	2.5
517.38843	23.8
529.38806	32.5
530.39215	1.5
543.37360	3.0
561.41516	100.0
562.42059	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	561.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01858	6.2
55.05257	2.0
55.05504	28.8
56.74094	1.0
57.03426	7.6
57.07057	3.9
57.18809	1.1
59.04995	1.7
65.03921	4.2
67.05495	83.8
69.03421	3.9
69.07058	23.2
69.28443	5.6
69.28867	6.5
71.04984	37.9
71.08604	0.9
73.06522	1.2
79.05480	58.6
81.03413	9.0
81.07045	100.0
82.10223	1.1
83.04966	10.2
83.08611	16.2
85.02888	2.1
85.06535	6.4
91.04621	1.3
91.05468	57.0
93.07033	63.7
95.04951	12.4
95.08592	48.2
97.06517	9.1
97.10175	8.9
98.20752	1.5
99.04458	1.4
99.08076	2.8
103.05451	1.2
105.07016	42.2
107.04955	4.1
107.08581	40.0
109.06515	5.3
109.10140	22.8
111.04458	1.5
111.08070	5.6
113.09710	1.6
115.05404	1.2
117.07011	14.4
117.97915	1.1
119.07771	2.1
119.08561	26.8
121.06495	3.2
121.10120	27.0
123.08075	3.8
123.11700	12.5
125.09605	3.3
129.06998	6.2
131.08546	23.6
133.10114	32.8
135.08070	3.1
135.11681	18.6
137.09618	2.6
137.13246	1.9
139.11125	1.3
141.06946	2.2
141.21355	1.0
143.08591	5.4
145.10104	18.9
147.08034	1.5
147.11682	11.8
149.09598	3.9
149.13240	10.9
151.11137	9.7
155.08482	2.9
157.10106	5.8
159.11661	14.0
161.09694	1.4
161.13240	7.0
163.11176	9.6
163.14890	2.4
165.12730	2.2
167.08502	1.2
169.10138	3.3
169.12259	1.1
170.22879	1.1
171.11668	6.5
173.13225	6.6
175.11195	2.2
175.14821	3.4
177.12723	3.9
179.14307	3.6
179.97285	1.0
181.10085	1.7
181.12259	1.6
183.11739	3.2
183.13780	8.5
185.13248	4.6
187.13277	2.7
187.14848	3.3
189.11172	1.7
191.14288	1.3
193.12236	3.2
195.11990	1.4
195.13750	5.0
197.13258	3.2
199.14798	1.7
209.13216	1.4
211.13206	2.6
211.14888	2.0
221.15297	1.4
227.12778	13.3
237.16266	1.1
241.19537	1.5
243.21037	2.8
253.14334	5.7
253.17920	1.5
259.20557	4.3
261.19672	1.0
261.22128	6.6
267.15817	3.4
269.17422	4.4
273.22058	1.2
275.20050	4.9
277.21628	3.8
283.15363	7.8
283.18646	2.1
285.16956	3.9
287.20416	1.3
291.19287	4.9
293.21152	2.0
299.23645	2.5
301.21860	1.6
315.23224	1.5
317.24622	3.3
317.28241	1.3
327.23282	1.7
335.25742	12.4
349.23599	2.0
437.33951	3.6
437.64120	1.2
451.31631	2.4
455.35452	1.9
463.30807	1.5
469.32813	3.0
497.47601	1.2
511.37424	2.8
517.38910	17.5
525.35553	3.7
529.38824	35.2
530.39069	1.2
543.36615	26.3
544.36945	1.6
561.41876	77.6
562.41870	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.01873	6.6
55.05260	2.2
55.05503	26.7
57.03431	6.9
57.07053	4.6
65.03948	5.8
67.05496	82.3
69.03413	4.9
69.06722	1.3
69.07062	22.2
69.41521	9.5
71.04984	37.6
71.08588	1.8
76.49664	1.2
77.03893	1.6
79.05485	61.0
81.03417	8.6
81.07047	100.0
82.04210	1.1
83.04971	11.4
83.08607	15.1
85.02895	1.8
85.06537	6.4
88.27377	1.1
91.04883	1.5
91.05469	52.4
93.07030	64.6
95.04963	13.4
95.08594	44.6
97.06516	10.3
97.10155	8.4
99.08055	3.0
105.04483	1.7
105.07018	40.0
107.04948	3.6
107.08582	36.9
109.06493	4.1
109.10149	19.3
111.04412	2.5
111.08073	3.4
113.09635	1.5
117.06998	17.0
119.08561	26.4
121.06459	3.5
121.10129	25.2
123.08060	3.6
123.11681	14.2
125.09615	4.9
127.11150	1.2
129.06984	7.2
131.08560	21.6
133.06432	1.9
133.10112	32.0
135.07983	2.4
135.11678	16.0
137.09546	1.6
137.13268	2.0
139.11151	1.5
141.06989	1.3
143.08568	5.6
145.06465	2.0
145.10106	16.1
147.08003	2.0
147.11670	12.7
149.09567	3.3
149.13268	12.2
151.11124	7.5
153.12727	2.5
155.08510	3.2
157.10100	7.0
159.08052	1.9
159.11649	12.7
161.09627	1.7
161.13219	9.1
163.11127	5.3
163.14789	2.8
165.12733	1.7
169.10081	3.4
169.12216	1.6
171.11659	5.3
173.09613	1.5
173.13281	6.8
175.11220	2.1
175.14798	3.5
177.12715	2.8
179.14319	2.5
181.12175	1.7
183.11681	2.4
183.13776	9.9
185.13243	4.0
187.11327	1.7
187.13258	3.9
187.14818	5.0
189.11165	2.3
189.12770	2.0
189.16370	1.7
191.14088	1.4
193.12198	3.6
195.13724	3.6
197.13205	1.2
199.14720	2.7
201.12666	1.7
201.16367	1.4
209.11646	1.4
209.15431	1.0
211.13170	2.7
213.16342	1.1
227.12752	8.9
227.16342	2.0
233.15366	1.4
241.19684	2.1
243.21011	1.8
253.14310	4.1
253.17834	1.5
257.18912	1.5
259.20447	2.1
261.22040	5.9
267.15903	4.3
269.17386	6.8
271.20468	1.7
275.20020	8.3
277.21497	1.5
283.15271	3.7
283.18680	2.3
285.16895	3.9
289.21500	2.3
291.19495	2.2
293.21109	2.1
299.23599	3.2
317.24573	3.6
335.25858	6.1
341.24121	1.5
349.23730	2.6
361.27252	1.7
363.25140	2.0
391.52194	1.2
415.13489	1.3
433.30859	2.8
437.34146	4.6
451.31775	3.8
455.34686	2.2
463.30432	2.8
469.33069	2.6
485.36685	1.5
487.33844	2.8
499.34821	1.4
511.37720	4.4
515.37305	1.6
517.38879	17.6
525.35449	5.1
529.31427	2.1
529.38794	30.6
543.36615	22.8
561.41882	71.6
562.41449	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16559	1.3
53.03927	3.3
55.01851	5.6
55.05505	30.2
57.03434	7.2
57.07051	4.6
59.04978	1.3
62.87235	1.4
65.03922	2.3
66.11124	1.3
67.05496	54.9
68.05823	1.8
69.03414	2.1
69.07064	16.9
70.32560	1.2
71.04980	4.5
77.30586	1.2
79.05056	2.4
79.05482	38.4
81.03409	7.1
81.07043	54.6
82.07412	1.6
83.04969	10.6
83.08187	2.0
83.08611	17.5
84.04956	1.1
85.02903	1.8
85.06503	2.7
91.04898	1.8
91.05463	29.6
93.07032	44.5
95.04977	10.8
95.08591	33.9
95.09056	0.8
97.06483	5.8
97.10154	21.8
98.21463	4.7
99.08057	2.5
105.04481	1.5
105.07013	30.6
107.04931	5.8
107.08574	30.6
109.06500	5.4
109.10130	16.5
111.04433	4.4
111.08044	6.2
115.05387	1.9
117.06985	14.3
119.08554	25.9
121.06483	3.9
121.10123	18.6
123.08051	4.8
123.11713	6.6
125.09603	17.3
128.06207	1.5
129.06999	7.1
131.08534	20.6
133.10120	17.0
135.08029	4.1
135.11670	16.0
137.09573	2.5
137.13292	2.1
142.07782	1.5
143.08545	10.8
145.10097	21.5
147.07983	2.5
147.11653	14.0
149.09583	3.0
149.13222	4.8
151.11169	2.3
153.12724	4.7
155.08502	3.5
157.10123	8.3
159.08063	1.8
159.11690	13.4
161.09663	2.0
161.13240	9.8
163.11145	10.0
163.14865	1.9
165.06979	1.5
165.12720	1.6
169.10083	4.5
171.11642	7.0
173.09581	3.5
173.13246	8.0
175.11176	1.8
175.14803	2.7
177.12706	1.5
179.14320	2.7
181.10156	1.9
181.12227	5.7
183.11627	3.2
185.13237	4.9
187.14832	5.4
189.11223	10.0
189.12634	1.7
191.10660	4.2
193.12230	3.7
195.11679	2.4
197.13165	1.9
199.14774	4.0
201.12738	1.9
201.16451	2.1
209.11700	2.7
211.13185	2.3
211.14963	2.3
213.16359	1.4
227.12683	22.0
227.14568	2.0
229.60478	1.6
237.16266	1.4
241.19498	1.7
243.21062	2.2
259.20480	4.6
261.22141	11.2
267.15820	2.9
273.22028	1.6
277.21548	5.0
279.23224	2.4
283.15350	13.8
283.20322	2.5
297.21866	2.0
299.23630	13.0
301.21509	3.5
315.23065	2.6
317.24759	9.0
325.21451	1.8
333.24124	4.5
335.25858	11.2
343.22614	1.8
415.29886	2.2
425.44403	1.5
433.30740	6.9
451.32065	12.2
455.64545	1.4
469.32867	12.3
487.34134	7.9
507.34497	2.6
515.37000	4.6
525.35852	19.2
543.36731	100.0
544.36914	3.8
561.37793	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66198	1.5
53.03926	1.9
53.32336	1.6
55.01851	6.1
55.05252	2.9
55.05502	33.1
57.03427	4.0
57.07061	3.9
60.24599	1.8
65.03921	2.8
67.05492	56.4
69.03405	3.4
69.07055	15.6
71.04984	4.4
71.08617	1.6
72.59837	1.5
79.05479	40.3
81.03400	7.7
81.07041	52.5
82.44772	1.8
83.04967	12.8
83.08611	18.6
83.35607	1.6
85.02881	2.5
85.06523	2.2
91.05460	31.9
93.07027	46.1
95.04952	11.5
95.08586	34.8
97.02898	2.0
97.06511	6.4
97.10152	22.7
97.54857	1.6
98.21598	3.1
99.08096	1.8
101.76422	1.5
105.06367	3.3
105.07011	32.9
107.04924	5.4
107.08566	33.9
108.79475	1.6
109.06499	4.4
109.10133	18.4
111.04428	5.8
111.08045	5.1
117.06992	17.1
119.08557	24.3
121.06459	2.8
121.10124	19.5
123.08076	4.8
123.11696	7.4
125.09595	20.8
128.06174	2.2
129.06958	7.9
131.08543	24.0
132.31758	1.7
133.06451	2.6
133.10114	22.5
134.10518	1.7
135.08041	5.0
135.11697	16.4
137.09633	1.8
137.13156	1.8
141.06917	2.3
143.08578	8.1
145.10094	27.0
147.11650	12.8
149.09633	3.5
149.13234	5.8
151.11107	2.4
153.12737	5.7
155.08551	3.3
157.10155	9.3
159.11688	15.7
161.09593	2.2
161.13249	8.0
163.11140	10.3
163.14783	3.9
169.10167	5.2
171.11646	8.6
173.09563	4.0
173.13242	13.7
175.11203	3.5
175.14825	4.0
177.12741	2.2
181.10127	4.1
181.12219	5.4
183.11710	7.0
185.13185	7.8
187.14839	6.7
189.11156	12.1
189.12709	1.8
191.10564	3.0
193.12152	3.6
195.11765	3.1
197.13335	3.6
199.14803	4.0
201.16330	2.2
209.11636	4.5
209.13359	2.0
212.15791	1.6
221.63252	1.6
227.12749	22.7
229.14215	1.8
241.19400	2.3
245.13834	2.1
247.16829	2.7
259.20590	5.7
261.22107	9.3
267.15952	4.0
275.20169	3.6
277.21747	3.1
279.23309	1.8
281.22501	2.0
283.15363	11.0
283.20505	2.1
285.16898	1.8
291.19724	3.1
292.19910	1.8
299.23566	11.7
301.21619	2.7
315.23196	3.3
317.24640	9.2
317.40506	1.9
325.21811	2.0
333.24127	4.7
335.25714	8.6
433.31177	8.1
451.32092	9.5
458.29401	1.7
469.32999	7.9
487.34198	9.8
507.34979	2.0
515.37213	3.2
525.35803	18.6
543.36725	100.0
544.37433	4.3
561.37756	59.9
562.38275	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	561.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64757	1.1
53.03935	4.4
54.34314	1.0
55.01871	7.3
55.05254	1.9
55.05507	28.8
57.03431	8.3
57.07054	3.5
59.04991	1.2
65.03938	2.2
67.05496	55.6
68.21288	1.0
68.68066	1.0
69.03410	3.9
69.07059	18.9
71.04980	3.9
71.08624	1.6
76.79935	1.0
79.05483	40.2
81.03410	11.1
81.07047	52.7
83.04974	11.1
83.08604	19.8
85.02887	3.0
85.06522	3.9
91.05461	29.6
93.07034	43.7
95.04955	8.8
95.08595	34.5
97.02899	1.4
97.06517	7.3
97.10159	21.8
98.24091	1.0
99.08072	2.5
103.05436	1.5
105.07021	29.5
107.04968	5.9
107.08582	32.3
109.06506	3.9
109.10139	20.4
109.10890	1.1
111.04431	6.1
111.08073	5.2
115.05369	1.2
117.07017	14.6
119.08564	24.0
121.06510	3.8
121.10124	18.1
123.08064	5.1
123.11682	5.9
125.09616	15.3
128.06149	2.8
129.06990	7.7
130.07707	1.2
131.08560	23.0
133.06450	2.0
133.10114	19.7
135.08064	4.6
135.11671	17.4
137.09544	2.2
137.13203	1.1
139.11209	1.3
141.06964	2.8
142.07738	1.5
143.08534	9.1
145.06369	1.6
145.10104	23.0
147.08047	3.3
147.11688	13.3
149.09615	4.9
149.13269	5.9
151.11180	2.3
152.36775	1.0
153.09131	1.7
153.12709	6.2
155.08554	4.7
157.10120	9.5
159.11679	13.2
161.09569	1.2
161.13239	6.8
163.11192	13.7
163.14813	3.1
165.12672	1.1
167.08543	1.8
169.10112	4.6
171.11632	7.3
173.09590	1.8
173.13211	8.5
175.11186	2.7
175.14818	2.5
177.12767	2.9
177.16376	1.4
181.10100	2.2
181.12231	4.4
183.11685	4.0
185.09711	1.1
185.13274	3.9
187.11133	2.0
187.13371	1.3
187.14766	6.0
189.11211	10.4
189.12694	2.0
189.16417	1.0
191.10657	3.9
191.14296	1.3
193.10426	1.1
193.12238	5.1
195.11652	3.2
195.13478	1.0
197.13289	3.8
199.11171	1.3
199.14825	3.5
201.12810	1.2
201.16275	1.4
205.15829	1.1
207.11682	1.5
209.11754	3.9
211.13255	3.9
211.14983	2.5
213.16304	1.4
221.13246	1.2
227.12737	34.7
229.59210	1.5
235.16928	1.2
239.14163	1.1
241.19452	1.8
243.21077	2.2
245.13828	2.8
257.18988	1.2
259.20505	6.3
261.22098	8.5
267.15964	3.9
269.17404	3.5
272.36356	1.2
273.22244	1.7
275.20050	5.7
277.21597	2.9
279.23212	1.8
281.22681	1.6
283.15375	17.5
283.20529	2.4
284.15726	1.5
285.16959	3.0
291.23010	1.1
297.22067	1.2
299.20309	1.9
299.23599	10.3
301.21655	4.4
315.23193	3.1
317.21515	1.2
317.24646	6.4
333.24313	5.6
335.25809	11.4
349.23700	2.3
357.23996	1.4
393.53943	1.1
415.29868	2.4
423.32437	2.0
433.30984	6.5
441.33868	1.5
451.32077	9.5
469.33044	9.5
487.34229	9.0
515.37469	3.2
525.35785	18.2
525.43097	2.0
543.36743	100.0
544.36981	6.4
561.37823	57.9
562.38470	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84572	0.8
51.86950	1.1
53.03950	6.2
55.01863	22.9
55.02275	1.0
55.05501	34.8
57.03429	8.4
57.06807	1.4
57.07064	13.5
59.04985	1.7
65.03941	6.0
66.04691	1.1
67.05493	82.9
69.03432	6.8
69.06711	1.7
69.07059	23.7
69.55235	8.0
70.26339	0.9
71.04987	6.2
71.08604	3.1
73.02901	2.5
77.03916	1.3
78.04691	1.1
79.05479	74.6
80.06258	3.9
81.03406	21.2
81.07043	74.5
82.04198	6.1
83.04967	14.3
83.08605	16.9
85.02899	3.4
85.06538	5.3
91.05466	59.0
92.06236	2.0
93.07027	74.8
94.07817	2.2
95.04957	21.6
95.08591	45.4
95.83913	0.9
97.02871	3.4
97.06509	11.7
97.10149	8.4
98.07294	7.1
99.08076	4.1
103.05412	1.9
105.04497	1.7
105.07012	43.2
106.07831	1.9
107.04938	6.1
107.07848	2.1
107.08578	38.1
108.09371	1.7
109.06496	6.7
109.10136	21.4
111.04410	1.2
111.08084	7.3
113.05952	1.3
113.09597	1.1
115.05422	2.5
117.05453	2.2
117.06989	17.2
119.04926	1.4
119.08562	33.5
120.09364	1.9
121.06482	3.8
121.10123	30.3
122.10867	1.3
123.08045	8.1
123.11674	6.0
125.05962	1.5
125.09613	9.0
126.10412	1.1
127.07557	1.3
127.11169	3.7
128.06262	1.4
129.05392	0.9
129.06967	8.4
130.07843	1.5
131.08546	24.7
132.09355	1.5
133.06487	1.8
133.10110	27.5
134.10789	1.4
135.08028	4.4
135.11653	20.8
135.12674	1.1
136.08752	1.4
137.09619	4.2
139.11150	2.0
142.07722	2.0
143.08539	5.6
145.06371	0.9
145.10110	17.5
147.08052	2.7
147.11671	17.3
149.09605	6.1
149.13232	9.1
151.11192	4.3
151.98831	0.9
153.09067	1.9
155.08539	2.7
157.10091	9.2
158.05777	2.7
159.08145	1.1
159.11656	12.1
161.09587	1.6
161.13220	6.3
163.11157	5.8
163.14799	2.1
165.12724	2.6
167.08681	1.0
167.10553	1.1
169.10138	2.5
171.06483	5.2
171.11615	4.8
173.11818	1.7
173.13188	10.1
175.11203	5.7
175.14812	3.1
177.12958	1.1
179.14240	4.6
181.12285	1.1
183.11717	1.5
185.13242	3.5
187.14833	3.7
189.11153	1.2
189.12698	1.3
193.12193	8.0
195.13638	1.0
197.13214	2.1
199.14807	1.5
201.14810	3.0
201.16479	2.0
209.11661	2.7
211.13245	6.4
211.14935	1.2
215.17963	1.2
217.14229	1.3
219.13690	1.2
223.14763	1.1
227.12680	4.9
229.14313	2.3
233.15282	1.3
241.19514	1.6
243.20941	1.7
247.16985	2.6
255.15910	3.7
259.20541	4.2
261.22043	5.1
267.15894	8.8
269.17297	1.2
275.20084	2.8
277.21600	10.5
283.15442	2.3
287.19962	1.3
293.21106	1.2
295.22638	1.7
315.23218	4.6
317.24786	2.2
327.23203	1.2
333.24207	2.9
335.25864	2.3
345.24728	1.1
351.25320	4.2
389.26840	5.7
417.29895	1.8
451.32025	2.8
459.34995	1.2
460.35220	1.2
463.30399	1.4
469.32907	3.0
475.29886	1.1
515.37183	2.3
525.35675	2.8
543.36731	29.6
544.37006	2.2
561.37750	100.0
562.38409	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	560.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.3
55.01849	2.4
57.03413	0.9
58.56990	0.8
65.03918	1.2
67.05477	1.3
69.03412	1.9
71.04971	1.5
71.62333	1.0
75.04470	1.0
79.05471	5.3
81.03384	0.9
81.07006	1.8
82.60217	0.7
83.04941	1.4
85.02878	3.6
91.03954	0.8
91.05452	7.6
93.03385	4.3
93.07021	2.7
94.04099	0.7
95.04932	2.7
95.08569	1.4
97.02874	2.3
97.06500	2.9
103.05431	6.0
105.07011	19.6
106.04152	9.5
107.04911	4.2
107.08546	2.0
108.05720	1.3
109.02827	1.5
109.06485	3.5
111.04362	0.8
113.65353	0.8
115.05420	1.2
118.04165	5.6
119.04912	4.0
119.08560	0.9
120.05635	1.1
121.06473	12.6
121.10090	1.2
122.07273	1.3
123.04409	1.9
123.08030	2.6
124.03912	1.2
124.05247	2.0
125.05966	4.2
126.21437	0.7
128.03445	1.8
128.06995	1.0
129.05461	1.8
131.04892	3.3
131.07066	1.6
133.02780	1.5
133.06467	18.5
134.03548	1.7
134.07095	0.8
135.04367	3.1
135.08020	4.2
135.62453	0.9
137.05946	10.1
137.09575	0.9
139.07523	1.7
145.02737	0.9
145.08510	0.7
146.03642	1.3
147.04378	0.8
148.05170	2.1
149.05949	18.7
150.06734	11.1
151.02141	1.0
151.07504	5.5
151.11090	0.7
153.01775	2.6
153.05463	1.1
153.09055	5.3
154.08571	0.7
161.06010	3.7
163.03848	1.5
163.07494	1.8
165.05426	3.0
165.07726	1.5
165.09061	13.8
167.07002	18.2
168.07364	2.6
169.07492	1.3
177.05437	13.6
178.06204	1.9
179.01620	1.1
179.07014	3.0
180.70567	0.8
181.08539	9.5
189.59514	0.9
191.07021	4.1
192.07747	1.7
193.08569	60.0
194.08879	1.2
195.06480	2.1
197.08080	3.7
209.08049	75.9
211.09615	100.0
212.09921	1.9
220.04874	0.8
227.11433	0.9
235.13306	1.2
253.14217	0.9
301.07294	5.6
313.07260	2.7
365.55838	0.8
391.17422	1.2
398.05316	1.0
403.17316	2.3
560.31104	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
55.05505	0.3
55.14071	0.3
57.03432	2.0
61.02894	1.1
67.05479	0.9
69.03424	4.1
69.64411	1.0
69.64838	1.5
70.06561	0.3
71.01317	0.6
71.04967	0.4
73.02895	1.4
79.05448	0.4
81.03386	1.4
81.07043	0.4
85.02419	0.6
85.02896	6.6
85.06501	0.6
87.04439	1.2
91.03919	0.4
91.05462	0.3
97.02882	3.0
98.20669	0.3
99.04436	0.5
100.40341	0.3
105.06985	0.3
109.02841	1.1
109.05048	0.4
111.04380	0.4
115.03920	0.5
127.03876	1.7
134.04625	4.0
135.02974	0.7
135.08086	0.3
137.05978	0.3
145.04967	0.6
152.05611	1.1
152.34312	0.3
153.01787	0.7
158.07094	0.4
165.02298	4.5
167.02576	0.5
167.03860	0.6
175.09692	1.0
176.18036	0.3
181.05397	1.4
182.04942	100.0
183.04974	0.6
184.07399	0.4
185.08197	0.6
190.03069	0.5
194.04956	3.3
200.09268	1.9
201.10059	0.4
205.05417	3.0
216.04681	2.1
216.06519	0.5
218.04822	0.4
219.06992	1.4
221.08501	1.1
224.05974	1.1
231.06981	11.4
248.09628	28.3
266.10672	58.3
267.10889	0.5
279.08398	0.3
314.09305	0.7
344.10287	0.5
380.13962	0.7
398.14859	8.7
428.15948	47.9
429.16165	0.7
560.20148	43.6
561.20135	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.9
52.64429	1.2
53.03937	7.4
55.01855	3.1
55.05499	28.9
57.03424	11.5
57.07065	3.0
58.64820	1.5
59.04989	1.4
64.83976	1.2
65.03930	3.5
67.05493	89.1
69.03410	2.2
69.07056	19.7
69.59423	5.5
69.59847	3.8
70.13589	1.2
71.04987	3.7
73.06548	1.7
79.05478	88.2
81.03422	8.6
81.03828	1.5
81.07042	78.4
83.04972	13.2
83.08603	9.5
85.06519	4.0
91.04945	1.3
91.05460	67.4
93.07026	96.0
95.04955	22.8
95.08591	56.9
97.06526	5.3
97.10126	7.2
99.08067	2.3
103.52959	1.3
105.04485	3.2
105.07008	50.1
107.04940	8.4
107.08572	37.0
109.06511	4.8
109.10143	17.0
111.08050	2.6
115.05434	2.2
117.07011	15.5
119.08555	32.3
121.06480	2.9
121.10123	20.7
123.08055	4.6
123.11710	5.4
128.06163	2.9
129.07002	16.0
131.08539	11.9
133.10112	14.1
135.11662	11.8
141.09113	1.4
143.08542	11.7
145.10085	14.7
147.08022	1.9
147.11661	38.9
149.13245	4.2
156.09334	2.2
157.10188	3.1
159.11676	5.9
161.09566	3.1
161.13228	16.0
163.11212	1.9
163.14815	3.0
169.10124	1.4
171.11661	26.2
173.13217	4.4
175.11197	1.3
175.14861	1.8
177.12636	2.3
183.11525	1.8
185.13217	1.5
187.14819	2.9
189.12706	12.5
199.14700	1.6
207.13794	26.2
223.10994	1.4
225.14827	2.0
239.95885	1.5
243.21033	3.8
259.20514	2.9
261.22083	11.1
279.15829	4.3
281.17422	54.1
317.24701	2.7
335.25729	62.8
449.33893	1.4
467.34897	2.6
523.37872	1.5
529.38525	1.6
541.38824	100.0
542.39404	3.1
559.40405	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	559.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.0
53.03932	7.8
55.01862	3.0
55.05503	29.2
57.03436	12.9
57.07060	4.1
65.03932	7.8
67.05497	95.4
69.03413	2.3
69.07061	28.1
71.04980	6.8
71.08616	4.0
73.06565	1.6
74.25212	1.7
77.03932	2.4
79.05483	89.7
81.03406	11.2
81.07047	91.5
83.04979	14.3
83.08605	15.3
85.06557	4.3
91.05470	75.8
93.07031	100.0
95.04959	26.5
95.08594	53.2
97.06527	7.3
97.10155	6.0
98.20760	6.6
99.08074	3.5
105.04535	3.1
105.07018	53.1
105.07635	2.3
107.04949	7.3
107.08582	35.7
109.06493	8.8
109.10143	17.6
111.08104	4.4
115.05460	3.3
117.07008	18.7
119.08560	35.2
121.06515	5.3
121.10118	24.0
123.08071	5.6
123.11719	5.4
125.09608	2.6
128.06190	3.1
129.07008	20.7
129.34424	1.8
131.08551	15.6
133.06493	2.6
133.10129	19.6
135.11662	14.2
143.08572	15.2
145.10098	20.2
145.66515	1.7
147.08047	2.5
147.11658	43.0
149.09637	2.6
149.13232	7.4
151.11162	2.5
155.08521	2.6
157.10098	5.2
159.11682	11.0
161.09592	4.8
161.13213	12.0
163.11143	3.3
169.10172	5.1
171.11665	31.1
173.13304	4.8
175.11261	1.9
175.14835	3.3
177.12775	2.6
179.14255	10.9
181.10069	2.7
183.11694	4.2
185.13248	4.1
187.11176	2.3
187.14850	3.2
189.12753	12.6
193.12320	1.7
197.13158	2.1
199.14862	2.6
201.16284	2.1
207.13795	27.9
209.13322	2.0
225.14973	2.4
243.21043	3.5
261.22162	8.3
275.19882	2.0
277.21582	6.3
279.15848	4.9
281.17413	60.8
291.19565	2.8
317.24609	2.4
335.25766	61.5
336.25977	2.8
449.34195	2.3
467.35440	2.5
485.36447	2.6
489.98419	1.8
527.37299	13.4
541.38898	76.3
542.38928	3.1
559.40436	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	559.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	1.1
53.03932	5.6
55.01862	10.3
55.05502	32.0
57.03425	9.2
57.07063	2.2
59.04986	2.4
59.71677	1.1
65.03935	5.3
67.05493	63.2
69.03417	7.7
69.07056	25.4
71.01338	1.3
71.04987	7.8
71.62596	2.2
77.03912	1.6
79.05481	57.3
79.46398	1.1
81.03403	53.9
81.07045	76.2
82.07353	1.1
83.04967	14.3
83.08601	28.0
85.02892	13.5
85.06535	3.8
91.05463	56.8
93.07030	41.9
95.04953	27.0
95.08591	32.5
97.02898	4.5
97.06505	13.0
97.10153	15.4
99.04446	2.1
99.08085	3.4
103.05457	2.1
105.07016	55.2
107.04941	15.1
107.08573	46.0
109.02863	4.0
109.06504	19.9
109.10138	21.3
111.04429	3.4
111.08069	9.0
113.06029	2.1
113.09663	1.6
115.05463	3.6
117.06982	17.5
118.09419	1.2
119.04904	2.5
119.08564	41.7
121.06477	7.7
121.10120	21.0
123.04359	1.6
123.08053	8.6
123.11685	7.8
123.62912	1.1
125.06075	1.1
125.09616	14.2
127.03905	4.2
128.06210	2.5
129.06981	15.2
129.07877	1.2
130.07739	1.3
131.04884	1.3
131.08540	26.5
131.09488	1.7
133.06476	7.4
133.10110	26.0
135.08040	10.5
135.11676	7.4
137.05952	3.1
137.09631	5.2
137.13184	1.2
139.11197	1.9
141.06984	2.5
142.07805	3.9
143.08546	8.8
143.10585	1.5
145.06476	3.9
145.10097	25.1
147.04378	1.2
147.07996	6.1
147.11659	29.3
147.12772	1.9
149.09612	16.7
149.13243	4.2
151.07529	1.7
151.11192	2.5
153.09212	2.0
153.93378	1.1
155.08554	4.3
156.09245	1.5
157.10094	15.6
158.07362	1.1
159.08073	3.5
159.11673	13.2
161.05971	1.8
161.09624	3.2
161.13245	6.4
163.07536	1.4
163.11150	10.2
163.14818	1.6
165.12727	5.8
167.06996	1.7
169.10092	7.6
171.11630	8.3
173.09607	4.6
173.11842	2.1
173.13283	7.5
175.11136	11.2
175.14786	1.6
177.12746	2.5
179.03406	1.9
179.14323	4.7
181.08649	1.2
181.10123	2.4
183.11662	6.4
185.09694	1.7
185.13242	6.1
187.06119	1.5
187.11218	4.0
187.13277	1.6
187.14857	2.4
189.11232	7.9
189.12753	3.4
189.16371	1.7
191.14296	1.4
193.12202	24.9
195.11693	3.2
197.09694	1.4
197.13275	4.7
199.14888	2.5
201.12668	2.8
203.14301	1.9
205.12216	2.4
209.13281	1.5
211.11272	2.5
211.13214	24.4
213.12723	1.5
215.14232	1.4
215.18057	1.6
217.12299	1.7
219.14012	1.2
223.13033	1.4
225.16489	1.9
227.12744	10.2
229.14165	1.7
229.19531	3.7
231.13884	1.7
233.15381	2.1
239.17963	2.2
241.14246	1.3
247.20592	3.5
249.14760	1.7
257.18985	11.1
265.21729	1.7
267.15884	25.5
269.18906	1.2
275.20016	61.0
285.17041	2.2
293.21085	5.5
296.21674	1.3
297.22192	3.5
299.19989	6.1
313.21808	2.0
315.23270	3.2
317.21243	1.3
325.21695	1.1
331.22733	3.0
349.23688	14.9
353.24695	1.2
369.24176	1.6
373.23486	2.5
387.25555	1.7
421.30908	1.8
431.29251	2.9
447.27750	1.2
449.30289	5.7
459.27188	1.7
467.31662	7.9
485.32657	4.0
523.34277	4.1
541.35187	51.3
542.35284	2.3
559.36279	100.0
560.36469	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	559.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39997	1.5
53.03933	6.5
55.01619	1.8
55.01868	21.4
55.05255	2.5
55.05502	35.2
57.03423	12.7
57.07073	3.6
60.83713	1.5
63.62549	1.6
65.03928	5.3
67.05494	70.8
69.03414	6.6
69.07059	47.9
71.04983	6.3
71.06977	2.5
79.05481	64.2
79.52317	1.6
81.03406	49.9
81.07044	88.2
83.04975	17.9
83.08606	28.4
85.02892	14.2
85.06517	4.8
86.46863	1.6
91.05466	89.0
93.07032	64.7
95.01308	12.2
95.04354	2.3
95.04955	32.3
95.08594	43.6
97.02895	2.3
97.06514	29.0
97.10149	14.4
99.08109	2.9
103.05468	2.7
105.07017	95.0
107.04932	29.3
107.08580	35.9
109.06509	10.9
109.10128	16.8
111.04417	2.1
111.08069	9.4
115.05432	3.8
117.06998	24.9
117.80969	1.6
119.04970	1.9
119.08564	59.2
121.06481	6.7
121.10126	19.8
123.04394	3.5
123.08040	8.6
123.11666	6.6
125.05978	2.0
125.09593	8.8
128.06233	3.9
129.06982	17.4
130.07802	1.5
131.04863	1.6
131.08549	41.2
133.06520	4.2
133.10112	46.1
135.08044	6.8
135.11676	12.7
137.09633	5.3
139.07478	2.6
141.06940	2.7
142.07771	3.2
143.08534	11.5
145.06508	3.0
145.10107	27.6
147.08025	5.5
147.11676	28.0
149.09589	13.2
149.13232	7.9
151.11159	4.6
155.08575	5.6
157.10115	19.6
159.11670	19.2
161.09631	3.4
161.13260	6.7
163.11163	7.8
165.09077	3.5
165.12714	2.6
167.08498	2.1
169.10127	5.6
171.11658	6.1
173.09599	2.8
173.13283	6.6
175.11177	8.3
177.12741	5.1
179.14281	16.5
183.11725	5.6
185.13261	3.6
187.11191	2.9
187.14783	2.2
189.11201	4.1
189.12668	2.2
193.12209	21.1
195.11659	1.8
195.13863	2.0
197.13310	3.5
201.12682	2.1
205.12364	1.6
209.13354	2.3
211.13272	16.8
211.15022	2.4
213.12892	2.5
213.16275	2.2
223.13187	3.3
227.12708	3.9
229.14400	2.8
229.19589	4.4
239.18030	3.1
247.20645	3.4
257.18954	11.3
267.15866	25.9
273.18491	4.1
275.20026	89.6
279.16031	2.9
285.16907	2.2
291.19495	13.7
293.21048	10.2
297.22049	2.5
313.21820	1.6
315.23178	1.5
331.22617	1.8
349.23651	17.4
437.68597	1.5
449.30331	3.1
467.31717	3.4
485.32312	2.0
523.33746	2.0
541.35168	49.5
542.35571	2.1
559.36188	100.0
560.36804	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31041	1.3
51.02374	1.2
53.03935	5.6
55.01860	14.0
55.05503	36.1
57.03428	10.8
57.07062	2.4
57.81993	1.2
59.04982	3.1
62.68904	1.3
63.62035	1.3
65.03925	4.0
67.05492	63.4
69.03422	5.6
69.07056	29.4
69.73489	1.4
70.24780	5.9
71.04982	5.3
79.05480	67.4
81.03406	52.8
81.07044	62.1
83.04971	15.5
83.08611	27.6
85.02883	16.4
85.06529	4.7
91.05466	61.0
93.07032	47.5
93.31300	1.4
95.04955	30.4
95.08028	2.7
95.08590	28.1
97.02882	2.4
97.06512	15.7
97.10146	17.9
99.08098	1.9
103.05450	3.0
105.07009	60.5
107.04932	14.6
107.08583	42.9
109.06521	11.3
109.10136	17.4
111.04421	1.7
111.08055	9.3
113.06008	1.6
113.09591	1.6
115.05423	4.2
116.06208	1.6
117.07000	21.3
119.08556	39.3
121.06524	7.0
121.10123	15.2
123.08053	4.9
123.11716	5.4
125.09613	13.1
128.06200	3.3
129.06992	19.0
130.07712	2.6
131.04938	1.8
131.08549	31.4
133.06461	5.7
133.10114	30.5
135.08038	7.4
135.11661	7.2
137.09625	4.1
141.07010	4.9
142.07788	4.1
143.08533	11.4
145.06477	3.0
145.10098	25.9
147.08055	4.6
147.11659	30.5
149.09590	15.9
149.13205	2.5
151.11147	1.9
155.08572	5.6
157.10106	17.9
159.08107	3.9
159.11659	15.3
161.09613	3.8
161.13278	5.0
163.11159	13.1
165.12715	2.6
167.08556	2.3
169.10103	7.8
171.08055	1.5
171.10289	2.1
171.11662	7.8
173.09647	3.7
173.11835	2.5
173.13246	5.6
175.11224	9.0
177.12778	2.2
179.14214	6.4
181.10138	2.6
183.11720	5.5
185.13254	6.4
187.11212	5.2
187.13132	1.4
187.14793	1.8
189.11227	8.0
189.12743	2.3
193.10333	2.0
193.12190	25.2
193.13820	2.4
195.11710	4.1
197.13269	3.4
198.63255	1.6
199.11176	1.7
199.14767	1.8
201.12735	2.6
207.11623	1.5
211.11263	2.9
211.13210	27.0
213.16373	2.1
219.11743	2.0
221.13214	1.5
223.14772	1.6
227.12723	9.3
227.17934	1.5
229.14369	2.0
229.19545	2.9
239.17987	3.2
247.20540	1.5
257.18985	14.3
267.15851	22.0
273.14850	1.4
275.20020	50.4
285.16757	2.3
293.21198	3.6
297.21991	2.9
299.16959	1.4
299.20120	5.4
313.21616	2.4
315.23257	4.9
317.21097	2.6
331.22668	3.0
349.23672	10.3
431.29443	2.7
449.30365	7.9
459.27637	1.5
467.31357	7.6
485.32449	3.8
513.35938	2.5
523.34131	3.9
541.26910	2.9
541.35162	51.0
559.36212	100.0
560.36676	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	559.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.3
55.01863	12.9
55.05256	2.9
55.05506	40.4
57.03429	14.5
57.07068	2.2
59.04990	2.1
65.03938	3.8
67.05496	62.2
69.03421	5.0
69.07061	25.2
69.33093	18.1
71.04980	6.1
76.53901	1.6
79.05485	62.8
81.03407	58.6
81.06569	3.1
81.07047	62.5
83.04968	14.8
83.08604	21.7
85.02886	12.5
85.06554	5.1
85.92085	1.5
91.05470	59.2
93.07032	40.6
95.04963	24.9
95.08594	31.9
97.02898	3.6
97.06524	17.5
97.10157	18.7
99.08107	1.9
103.05471	2.7
105.07017	56.2
106.71389	1.5
107.04927	15.3
107.08579	45.6
109.06484	11.7
109.10147	18.9
111.04450	1.8
111.08056	8.9
113.09657	2.3
115.05447	3.8
117.07014	17.5
119.04902	1.7
119.08562	37.8
121.06490	6.1
121.10117	15.4
123.08102	5.5
123.11715	4.6
125.09617	19.6
128.06172	2.7
129.06996	14.8
130.07713	2.4
131.08545	29.5
133.06497	4.2
133.10114	24.5
135.08031	7.5
135.11664	8.4
137.09627	4.5
141.07021	3.3
142.07796	5.8
143.08508	8.7
145.06506	4.2
145.10106	25.5
147.08020	7.2
147.11674	26.5
149.09599	19.4
149.13239	3.1
151.11148	3.2
153.09149	2.8
155.08598	4.3
157.10095	14.5
159.08069	3.5
159.11649	13.4
161.09576	2.1
161.13272	5.1
163.11156	10.5
165.12772	4.8
169.10165	6.8
171.08040	2.2
171.11581	7.2
173.09647	2.8
173.13237	6.1
175.11166	11.2
177.12726	1.7
179.14317	5.5
181.10210	1.6
183.11714	6.4
185.09673	2.4
185.13280	4.4
187.11241	3.9
187.13239	2.0
189.11221	9.2
189.12715	2.8
193.10521	3.0
193.12227	23.2
193.13826	2.1
195.11710	3.9
197.13235	3.6
199.11220	1.8
206.13440	1.6
207.11794	2.7
209.13217	2.1
211.13240	23.6
211.14957	2.1
213.12794	2.0
221.13248	2.2
227.12679	9.2
229.19582	2.5
257.18964	10.1
267.15891	21.1
275.20032	41.9
285.16986	2.0
287.08511	1.6
287.20020	2.1
293.21106	5.1
297.22052	1.9
299.20126	7.0
313.21472	3.0
315.23190	7.4
317.21078	4.0
331.22794	3.9
349.23746	12.7
355.22693	2.4
373.23471	2.2
431.29675	3.3
447.27509	2.1
449.30450	5.8
467.31644	9.3
477.28864	2.1
485.32553	3.8
523.34338	4.9
541.35193	55.0
542.35718	2.0
559.36249	100.0
560.36646	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	559.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.1
54.75682	1.4
55.01866	12.4
55.05257	2.7
55.05504	38.4
57.03434	11.4
57.07057	2.1
57.39642	1.3
59.05007	1.7
65.03923	3.5
67.05497	62.8
69.03415	6.0
69.07058	31.6
69.47337	8.1
69.47752	4.5
71.04981	5.7
79.05486	55.6
81.03407	48.3
81.07047	70.1
81.18208	1.2
83.04971	14.7
83.08607	32.0
85.02892	8.5
85.06532	5.9
91.05470	57.4
93.07032	47.6
95.04958	25.3
95.08591	30.4
97.02907	2.8
97.06514	13.9
97.10159	24.5
103.05473	2.3
105.04510	2.2
105.07018	53.4
107.04957	13.1
107.08579	36.6
108.06519	1.4
109.06519	12.4
109.10142	18.5
111.08079	7.7
115.05462	3.9
116.06229	1.8
117.07001	21.1
119.04987	2.3
119.08571	44.6
121.06462	10.0
121.10131	18.6
123.04439	1.6
123.08051	8.2
123.11691	8.9
125.09608	20.6
128.06186	3.5
129.06985	15.8
130.07803	1.8
131.04918	2.9
131.08554	29.5
133.06468	7.1
133.10115	26.2
135.08018	8.3
135.11671	9.1
137.09602	6.1
137.13339	1.6
139.11113	2.2
141.06992	4.1
142.07782	3.7
143.08540	13.2
145.06483	6.0
145.10101	26.3
147.08035	7.2
147.11671	25.8
149.09601	16.1
149.13235	4.1
151.11209	5.1
155.08525	8.7
156.09335	2.4
157.10089	17.0
159.08034	3.8
159.11699	16.5
161.09621	5.1
161.13264	6.2
163.11128	8.8
165.12701	3.5
167.08514	2.1
169.10149	6.3
171.08006	4.2
171.11662	10.6
172.12019	1.7
173.09634	5.0
173.11940	2.5
173.13231	8.3
175.11240	9.9
175.14702	1.9
177.12779	2.6
179.08522	1.7
179.14349	2.7
181.10054	3.1
183.11647	8.2
185.09676	2.0
185.13255	6.7
187.11092	7.1
187.14847	3.2
189.11227	10.7
189.12631	3.2
191.14325	1.7
193.12209	22.2
195.11754	3.5
197.09659	2.1
197.13275	3.3
199.11163	2.1
199.14821	2.6
201.12718	2.6
203.14363	1.9
205.12337	3.0
205.19579	1.4
207.11818	2.1
209.13286	3.2
211.13196	12.6
211.14798	1.8
213.12791	2.7
223.14903	2.0
227.12700	13.0
229.12077	1.8
229.19475	2.3
231.13855	1.7
233.13208	1.9
237.16425	1.7
239.13931	1.6
239.17969	2.5
247.20645	3.7
249.14763	1.6
257.19012	11.0
267.15875	28.4
271.20636	2.5
273.18622	2.1
275.20026	41.4
281.18988	2.6
285.16943	2.1
287.20142	1.7
293.21133	4.8
297.22116	3.3
299.20004	9.6
313.21640	2.9
315.20004	1.8
315.23019	7.4
317.21164	5.6
331.22803	2.1
349.23679	15.5
355.22754	3.1
373.23740	4.1
421.25876	2.8
431.29572	3.5
445.30115	1.7
447.27335	4.6
449.30588	10.7
459.27087	3.5
461.29196	3.3
467.31506	12.2
477.28729	1.9
485.32785	6.7
501.32184	2.5
523.34302	6.3
541.35217	64.0
542.35883	2.5
559.36285	100.0
560.36591	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	559.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06508	0.4
55.01858	0.6
55.05499	0.9
57.03408	0.5
57.07047	0.4
59.04993	1.3
67.05491	2.6
69.03418	2.9
69.07063	1.3
69.36044	4.3
71.04984	35.0
73.02892	0.4
79.05476	1.0
81.03423	2.2
81.07056	2.7
83.04958	0.8
85.02893	3.6
85.06538	5.1
91.05463	3.2
92.05795	0.9
93.07040	3.0
95.04946	2.6
95.08594	2.0
97.02880	3.1
97.06490	0.7
99.04465	1.3
101.05997	0.5
103.07574	0.7
105.07018	4.0
107.08564	4.3
109.02872	2.8
109.06516	3.5
109.10143	4.1
111.08082	0.8
113.05994	4.9
117.06979	0.9
119.08559	4.0
121.06481	0.6
121.10111	1.0
123.08047	2.7
125.05879	0.5
125.09583	0.7
127.03895	3.0
127.07539	17.2
131.07021	11.7
131.08545	0.8
133.10095	1.3
135.02940	0.4
135.08041	1.5
135.11653	2.3
137.05972	1.0
137.09604	22.1
145.04897	1.6
145.08580	100.0
146.08902	0.7
147.11734	2.1
149.09583	1.0
151.07509	0.6
153.09091	1.0
155.07057	0.9
155.62012	0.4
159.11702	0.7
161.09630	0.5
161.13188	2.0
163.11247	0.7
167.07022	1.6
171.11649	0.8
173.08113	3.7
187.05974	0.7
189.12729	1.6
191.09128	16.5
207.13770	3.7
217.08604	1.2
225.14879	0.5
227.19870	0.4
257.10144	1.2
299.11212	1.0
317.12350	3.0
335.13336	5.6
519.28723	0.5
559.18677	0.5
559.29108	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	558.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01864	2.5
55.05500	14.1
55.90112	1.5
57.03434	10.4
57.06796	1.1
57.07070	31.7
67.05496	20.6
69.03420	2.8
69.07056	9.5
69.63038	14.3
71.04982	3.2
71.08622	21.7
78.51376	1.5
79.05476	10.4
81.03410	51.1
81.07045	28.4
83.04964	12.8
83.08605	27.3
85.02895	14.3
85.06526	3.1
85.10181	11.4
89.06025	2.2
91.05473	15.3
93.07028	9.9
95.04965	14.7
95.08582	19.0
97.02904	2.2
97.06499	2.7
97.10159	6.3
105.07015	12.4
107.04940	3.8
107.08579	8.0
109.06498	3.4
109.10136	10.5
111.04454	2.2
111.08073	8.1
119.08562	15.6
121.10140	6.2
123.08041	2.3
123.11693	5.2
129.06995	5.4
131.08553	6.7
133.06499	2.3
133.10141	6.9
135.11717	2.3
137.09637	1.8
147.11664	9.2
149.09618	4.4
157.10063	9.4
165.12691	2.2
175.11179	9.6
193.12218	30.6
211.13257	50.4
239.23715	2.7
239.92511	1.9
259.07236	1.8
267.15863	7.6
283.26221	2.2
285.16910	43.2
313.27325	62.5
385.78659	1.8
505.38742	8.7
523.39862	100.0
524.39941	3.1
558.53589	5.8
579.45337	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42716	2.6
53.03934	5.6
55.01854	4.5
55.05506	17.6
57.03432	22.6
57.07073	40.4
59.83161	2.2
65.03923	3.2
67.05492	32.6
69.03450	3.0
69.07058	18.6
69.56253	21.4
71.04984	5.8
71.08615	29.5
79.05481	34.4
81.02973	4.5
81.03408	56.1
81.07047	49.9
83.04980	15.6
83.08606	30.2
83.16018	2.4
85.02902	20.3
85.06521	2.8
85.10169	18.2
89.06025	6.7
90.22217	2.4
91.05470	38.9
93.07030	31.4
95.04953	27.2
95.08037	3.9
95.08590	38.3
97.06517	6.1
97.10140	9.0
98.20770	5.9
98.21432	5.9
105.07007	21.3
107.04964	6.2
107.08569	10.8
109.06499	5.9
109.10144	11.8
111.08055	7.1
119.08593	19.3
121.10138	7.3
123.11686	5.9
129.07013	13.8
131.08531	10.7
133.10068	13.6
142.07759	3.9
145.09976	4.4
147.07999	5.5
147.11627	16.0
149.09601	5.1
153.21165	2.8
157.10092	13.0
165.12793	3.8
171.11659	2.5
175.11171	16.1
184.83641	2.6
193.12215	43.4
211.13275	73.0
226.82878	2.7
267.15894	20.7
281.17334	4.7
285.16928	73.0
313.27322	100.0
335.25534	5.0
505.38635	17.9
523.39880	85.9
524.39502	3.3
541.38763	4.9
547.03247	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	558.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.7
55.01856	2.2
56.05011	1.5
57.03430	3.4
67.05509	1.9
68.24014	1.4
68.71316	1.5
69.03410	4.4
69.07053	2.3
70.06581	1.7
71.46669	2.0
73.02904	4.1
78.10269	1.3
79.05482	7.8
81.03401	6.6
81.07036	5.0
81.88725	1.4
83.04990	2.8
85.02879	3.6
91.05471	15.7
93.07031	4.4
95.04950	5.3
95.08591	1.8
95.82480	1.4
97.02875	4.3
97.06496	2.3
103.05441	17.8
103.45364	1.4
105.07014	26.7
107.04937	4.1
107.08533	2.3
109.02846	3.3
109.06506	3.9
109.10110	1.6
111.04463	1.6
115.03905	2.7
115.05394	2.5
117.07005	1.7
118.04140	6.1
119.04942	5.1
120.05729	1.8
121.06486	4.4
121.10130	2.5
122.03680	2.9
122.07244	2.4
123.04421	1.4
123.08085	1.8
123.11713	1.4
124.05231	1.4
125.05875	2.2
126.05493	1.9
127.03876	3.5
131.04913	36.4
131.08562	2.3
133.04947	2.5
133.06477	18.1
133.10138	2.4
133.92584	1.4
135.04408	2.5
135.08043	5.0
137.05960	47.2
139.07571	1.9
142.89255	1.5
145.10129	1.7
147.04396	5.2
147.11638	2.3
149.05978	5.8
150.06740	13.4
151.03925	2.3
151.07504	5.8
152.08286	3.0
153.01804	15.4
154.44962	1.5
161.05968	6.1
163.07518	65.1
165.05519	1.9
165.09070	16.6
167.07033	13.4
171.02826	2.9
171.66869	1.5
173.09641	2.3
175.07500	1.9
177.05429	5.2
179.07013	8.4
181.08588	4.3
191.14372	1.5
193.08575	79.6
207.10199	2.5
209.15288	1.8
211.09625	100.0
213.11197	4.7
225.11198	2.8
255.14925	2.4
303.13608	1.7
315.06992	4.7
341.13873	5.5
343.15329	3.1
357.80496	1.5
373.16412	2.1
375.17749	3.4
441.21771	1.9
558.20398	1.8
578.35748	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
54.45623	0.7
55.01857	1.4
56.77298	0.8
57.03420	2.5
61.02926	0.9
65.03903	0.8
67.05470	1.3
69.03424	4.4
71.04983	15.5
71.22910	1.9
73.02901	1.8
77.03934	1.2
79.05473	2.2
81.03402	1.3
81.07021	2.0
83.04927	1.5
85.02891	16.9
91.05451	3.2
93.07054	1.3
95.03741	0.8
95.04935	3.3
95.08591	1.0
96.49805	0.8
97.02900	1.2
102.19378	0.7
103.05444	30.9
105.07010	2.5
107.04921	2.6
107.08563	1.5
109.06506	1.2
111.04408	1.5
117.07008	0.8
119.04919	5.5
121.06489	4.7
123.04411	2.1
123.08094	1.3
123.11601	0.9
125.05909	0.8
129.05424	4.3
131.04909	98.1
133.02835	1.0
133.06467	2.7
135.04440	1.2
135.08014	1.2
137.05954	8.6
145.06473	1.5
147.04384	5.9
149.05951	8.1
151.03926	1.0
151.07504	4.9
152.04654	1.1
153.01784	4.0
153.05443	11.2
161.06003	3.9
161.09550	1.1
162.06686	2.6
163.07523	62.1
165.05457	2.4
165.09053	1.7
167.07013	100.0
168.07376	1.3
173.06000	2.2
175.07512	1.8
177.05435	3.9
177.09065	1.7
178.09341	1.2
179.07011	12.2
179.14336	1.4
181.08594	7.4
187.07510	1.4
191.07022	3.1
193.04944	2.4
193.08543	7.6
197.08086	7.9
199.07690	1.1
199.09624	3.5
203.07008	1.6
205.08501	1.4
209.07954	1.2
209.15390	1.4
211.07564	1.2
211.09625	21.5
217.08607	1.3
219.06343	1.4
219.10239	0.9
221.07985	4.5
223.09529	1.7
233.07977	0.9
235.09637	1.1
239.09085	3.8
245.08084	1.0
259.09454	0.8
261.11243	1.3
263.09079	2.9
279.12222	1.4
289.10672	2.3
307.08295	0.7
307.11560	4.6
315.11847	1.0
317.33316	0.8
325.12747	5.7
327.12302	5.0
347.14682	0.9
359.14841	3.3
371.14673	1.2
377.15991	3.0
389.15735	1.0
401.15814	1.0
409.18738	1.0
436.67911	0.8
469.18430	2.5
473.84848	0.8
487.19595	0.9
519.66516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	2.0
69.03419	3.1
69.98528	2.8
71.04987	15.1
75.04462	0.7
79.05466	0.7
85.02897	15.7
91.05453	2.5
93.07034	1.2
95.04961	1.7
103.05454	26.0
103.11407	0.5
105.06984	1.4
107.04948	2.2
111.04415	1.3
115.05454	0.8
119.04937	4.4
121.06520	3.5
123.04408	0.9
123.08059	0.6
129.05455	4.4
131.04913	100.0
132.05223	0.9
133.02820	1.3
133.06462	1.5
135.08080	0.7
137.05977	8.0
145.06516	0.9
147.04428	5.5
147.06500	1.1
149.05960	8.1
151.07556	3.9
153.05449	7.2
161.05994	2.3
162.06766	2.6
163.07524	66.1
164.08020	0.7
165.05479	2.3
167.07039	5.6
173.05969	1.5
175.07529	1.9
177.05432	2.2
179.07007	8.5
181.08612	5.4
189.05461	0.9
189.09088	0.6
191.07048	2.4
193.05011	1.9
193.08633	1.3
197.08092	5.0
199.09639	2.9
201.09146	1.2
203.07063	1.9
205.08583	1.3
209.08121	1.7
211.09552	0.9
217.08475	0.9
219.06537	1.1
219.10049	0.9
221.08038	3.5
223.09676	2.1
229.08672	0.7
233.08086	1.4
235.09645	0.8
239.09088	2.5
247.09633	1.1
261.11166	1.2
263.09100	3.7
265.10730	0.7
267.08487	0.7
271.09625	0.6
279.12262	0.9
289.10788	1.7
307.11792	4.4
325.12753	6.6
327.12271	3.6
341.13849	1.8
359.14874	2.2
371.14777	1.2
377.15900	2.5
389.15808	2.0
401.16223	0.8
413.15625	1.1
469.18427	2.6
528.62347	0.6
538.25470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68340	0.5
52.88060	0.5
53.03919	0.6
55.01855	0.9
55.05502	1.2
56.58919	0.5
57.03425	3.3
61.02902	0.6
65.11910	0.5
69.03405	1.6
70.75494	1.1
71.04979	21.8
75.04442	0.7
78.63229	0.5
79.05471	2.3
81.03396	0.8
81.07030	1.5
83.04957	1.7
85.02890	28.0
87.04414	0.7
90.04707	0.6
91.05482	3.0
93.03393	0.7
93.07012	2.3
93.66617	0.6
95.04935	2.1
95.08607	1.0
97.02867	0.8
97.06487	1.5
99.04418	0.7
101.06008	0.5
103.05451	2.1
105.07009	15.5
106.04166	0.8
107.04929	2.8
107.08581	1.1
107.32060	0.5
109.06495	0.7
109.10165	0.6
111.04414	2.4
115.05430	2.7
117.06976	0.6
118.04138	0.7
119.04935	1.0
119.08537	1.3
121.06483	3.7
123.04379	1.7
125.05972	0.8
126.05503	0.6
127.03901	1.2
129.05450	6.4
129.06964	1.0
131.04871	3.1
131.08501	0.7
132.05698	1.4
133.06468	17.5
135.04398	0.5
135.08002	0.7
137.05956	2.1
138.09006	0.5
139.07507	0.6
143.05972	1.3
145.06462	1.1
145.42010	0.6
147.04391	19.0
147.06483	1.8
147.08020	3.0
147.11728	0.8
149.05946	5.8
151.07576	0.8
153.01782	0.8
153.09059	0.8
154.06224	0.8
155.07028	0.6
160.05157	0.7
161.05952	46.1
163.03891	1.1
163.07582	1.2
164.07019	1.0
165.05420	1.0
165.12711	0.6
167.07010	13.8
170.08170	0.6
171.07948	0.6
172.51750	0.5
173.05907	0.7
175.07497	13.8
176.11456	0.6
177.05455	4.3
179.07028	3.1
179.30659	0.5
180.07803	2.5
181.04962	0.7
181.08553	3.4
182.09358	1.9
187.07564	1.4
191.06973	3.0
192.07784	4.7
193.08574	100.0
194.08965	1.0
199.07439	0.8
205.08606	3.1
207.06508	1.0
209.08038	7.4
210.08821	2.0
217.08545	2.1
217.12245	1.2
221.07957	0.7
229.08597	1.2
233.08072	0.6
235.09618	0.8
235.13292	1.3
236.13570	1.0
247.09618	1.0
253.14496	1.2
254.14505	0.9
255.14975	0.7
256.19827	1.2
259.09506	1.3
273.16376	0.7
303.12183	1.0
307.76477	0.6
315.12137	1.2
327.12296	2.0
329.13651	1.6
341.13831	1.7
345.13144	0.7
347.14877	9.8
351.12018	0.7
353.13596	1.7
359.14853	1.8
363.17029	0.6
371.14761	1.1
377.15863	2.8
383.14655	0.9
389.16025	0.7
401.15854	0.7
457.18350	0.6
469.18448	1.6
558.24933	0.9
584.21912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49730	1.3
53.03929	2.8
55.01856	3.8
57.03428	2.1
65.03922	1.6
67.05510	2.3
69.03425	7.6
69.07060	1.7
69.63210	10.0
71.04978	2.3
79.05481	5.3
81.03414	3.1
81.07050	5.1
85.02890	15.4
85.06525	1.6
91.05463	16.0
93.07045	3.6
95.04956	3.7
95.08582	2.0
97.02888	5.6
98.21386	2.3
103.05453	18.9
105.07018	10.3
107.04947	24.8
107.08577	3.3
109.02878	1.9
115.05435	2.8
117.07034	2.2
119.04944	14.3
121.06480	6.1
121.10137	2.7
122.03623	4.0
123.11732	1.4
127.03918	6.6
128.06177	1.4
129.06978	5.7
131.04909	33.4
133.02852	2.8
133.06474	7.4
135.08060	10.2
135.11577	1.6
137.05960	100.0
145.04938	4.8
145.06442	3.5
146.07321	1.8
147.04387	13.3
147.08049	2.0
148.05142	1.5
149.05966	10.2
149.09523	1.3
151.07530	42.8
153.01852	2.1
157.06441	4.6
161.05963	62.8
161.09616	15.2
162.06755	7.2
163.07524	87.4
165.09065	2.3
167.07019	2.2
167.08488	1.5
174.06784	3.6
175.07523	15.5
177.05447	5.2
177.09085	22.2
179.07024	12.1
179.10727	2.6
181.08594	9.0
187.07437	1.4
189.09090	43.8
191.06970	4.0
193.06493	1.4
193.08539	2.3
195.08131	3.9
195.10159	2.0
201.08934	1.5
203.10661	2.4
207.10133	67.3
219.10069	12.0
221.09787	2.1
221.11702	8.4
223.07501	2.5
227.10655	7.0
237.09079	2.9
249.09084	2.3
250.09850	1.5
253.08569	3.2
253.12187	3.6
255.10143	8.4
265.08514	3.7
269.08218	2.0
275.09256	1.6
281.11783	4.1
285.10974	6.3
287.12738	22.1
291.12323	2.5
297.11249	3.0
299.12820	3.6
311.12708	21.5
313.14334	26.9
323.11160	1.9
324.26184	1.7
325.14337	4.0
331.15347	73.9
341.12302	1.6
343.15231	11.4
396.35504	1.7
558.19366	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	557.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01867	19.0
55.05501	29.2
56.75945	2.0
57.03432	25.4
57.07071	54.2
60.02165	1.8
62.32132	2.2
67.05497	47.3
69.03410	6.0
69.07060	19.4
69.73970	1.9
71.04991	3.9
71.08624	32.9
73.02895	8.3
77.47478	2.1
79.05491	25.1
81.03407	15.2
81.07046	44.7
82.04180	6.9
83.04978	11.6
83.08606	20.8
85.10175	21.6
87.04452	3.3
89.06011	15.0
91.05464	21.4
93.07034	20.6
95.04958	17.1
95.08044	2.9
95.08602	36.1
95.09167	4.3
97.02884	2.7
97.06518	8.2
97.10156	22.5
98.07303	7.4
98.71632	1.9
104.10704	2.0
105.07000	15.5
107.04917	6.9
107.08584	16.7
109.06461	3.3
109.10145	18.0
111.08055	5.7
116.04713	17.0
117.07009	4.3
119.08564	16.4
121.06487	6.5
121.10110	7.6
123.08061	5.0
123.11682	5.9
125.09608	16.4
129.05467	37.5
129.06956	5.3
131.08549	8.3
133.08562	5.7
133.10126	9.2
135.07996	3.6
135.11656	7.4
137.09615	2.9
143.07013	8.3
145.10094	6.0
147.08023	3.3
147.11613	4.7
149.09601	3.6
153.09145	2.2
157.08580	12.8
157.10049	4.9
159.11673	3.3
161.13196	2.6
163.11166	3.1
171.06519	4.9
171.10155	4.2
171.11635	2.1
175.11160	3.9
177.11223	2.8
185.53566	2.4
189.11221	9.7
191.10635	2.7
193.12193	4.1
199.13258	2.6
209.11693	5.0
227.12685	18.0
239.23689	6.9
255.15875	3.4
257.24619	3.1
267.15872	5.8
275.20087	2.3
301.16428	100.0
313.27344	99.5
354.27499	2.5
367.28461	6.3
371.23026	2.2
372.22784	2.6
395.31381	3.6
398.88345	2.8
438.37000	4.3
500.72284	2.5
505.38669	3.0
522.39142	3.1
539.31805	3.6
539.39435	65.3
557.18561	2.6
557.34503	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	557.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01859	5.0
55.05256	1.2
55.05504	18.0
57.03422	7.3
57.07064	2.9
59.04982	1.1
64.56199	0.8
65.03918	2.1
67.05494	37.2
69.03409	1.6
69.06713	1.3
69.07056	15.0
69.50954	1.0
69.51273	8.5
71.04968	4.0
71.08611	1.9
77.03966	0.9
79.05481	29.1
81.03403	6.0
81.06567	2.0
81.07044	38.7
82.07408	1.4
83.04964	4.6
83.08611	10.2
85.06527	3.3
85.92459	0.8
91.05467	31.1
92.35600	0.9
93.07029	33.2
93.07624	2.0
93.36473	0.8
95.01312	1.0
95.04957	9.3
95.08593	27.9
97.06509	4.2
97.10176	5.9
98.98444	1.9
99.08093	1.4
103.05473	1.4
105.04485	1.8
105.07013	31.1
107.04974	4.4
107.08582	17.2
109.06493	3.4
109.10139	12.8
111.04458	0.9
111.08070	2.4
112.07433	0.9
115.05408	2.5
117.06995	14.9
119.08564	22.9
119.09431	1.1
121.06477	3.5
121.10110	10.5
123.08029	3.4
123.11676	2.1
125.09618	3.6
128.06183	3.3
129.07001	14.3
130.07748	1.6
131.08546	23.4
133.06476	1.8
133.10124	16.3
135.08037	2.3
135.11685	8.6
137.09578	2.1
141.06966	7.5
142.07745	3.8
143.08542	22.4
145.06454	3.7
145.10104	24.6
147.07991	2.5
147.11668	14.3
149.09561	2.2
149.13246	3.6
151.11179	1.2
153.06902	1.4
154.07710	1.9
155.01021	2.1
155.08530	16.7
156.01350	1.2
156.09279	2.8
157.10117	19.7
159.08031	2.2
159.11665	18.6
161.09631	2.1
161.13216	7.7
163.11151	2.1
165.07014	1.9
167.08531	6.1
168.09325	2.5
169.10107	19.6
171.08029	2.0
171.11653	20.1
173.09615	2.7
173.13214	9.5
175.11076	1.0
175.14784	3.7
177.12651	1.2
179.08516	2.4
181.10071	10.8
182.10861	1.6
183.11681	17.7
185.09634	1.6
185.13228	12.1
187.11134	1.9
187.14784	5.5
189.11163	1.4
189.12737	2.1
189.16371	1.1
191.14273	1.1
193.10117	3.6
193.11971	1.1
195.11653	9.8
197.09584	1.1
197.13213	12.5
199.11122	1.9
199.14767	8.0
201.12741	1.4
201.16222	1.2
205.10077	1.8
207.11662	4.2
207.13765	4.2
209.13240	8.4
211.14754	8.7
213.12856	1.2
213.16354	6.6
215.14371	1.4
215.17844	1.3
217.15785	1.0
221.13217	3.2
223.11375	1.0
223.14807	5.0
225.12793	1.2
225.16418	3.6
227.12622	2.2
231.21083	1.2
235.14828	2.9
237.16351	3.3
241.14223	1.6
241.19449	5.2
247.16901	1.5
249.16209	1.9
251.17955	1.8
257.19052	2.0
259.20508	11.3
269.18927	1.0
271.16891	0.9
271.20413	1.2
275.20105	2.6
279.15933	3.9
281.17380	8.4
287.20020	1.2
289.17911	2.2
295.20377	1.5
297.18839	1.2
297.21881	1.9
299.20096	1.4
307.20596	1.5
309.22162	1.3
311.20340	2.1
313.21512	2.0
321.22095	1.7
323.23694	3.8
325.21735	1.8
333.24219	3.6
335.23575	2.1
341.24771	1.2
349.25095	1.6
353.24741	2.4
409.49240	1.2
419.32913	3.5
429.31381	4.9
435.32611	1.4
437.34082	9.6
447.32562	21.1
455.35004	2.1
465.33609	21.8
483.34857	14.2
485.33871	1.3
493.37094	1.2
501.35599	2.9
503.35275	1.6
511.37683	1.9
513.74152	1.1
521.36353	9.2
527.36884	2.6
529.38763	6.8
539.37323	100.0
540.37952	1.8
557.38629	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	557.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
53.03933	5.8
53.88599	0.8
55.01865	16.3
55.05503	28.7
57.03429	5.3
57.07064	1.1
59.04978	1.9
65.03930	4.4
67.05496	47.6
68.05816	1.0
68.99771	0.9
69.03420	2.5
69.07061	31.6
69.72675	3.3
69.73106	3.4
71.04977	4.5
73.02897	0.9
77.03934	1.7
79.05483	43.6
81.03407	15.8
81.07047	57.6
83.01333	6.2
83.04971	14.4
83.08607	15.2
85.02901	2.3
85.06521	2.0
91.05470	58.5
93.07034	50.2
95.01314	10.3
95.04965	18.5
95.08595	37.0
96.08880	0.9
97.02892	2.5
97.06525	17.4
97.10138	5.9
99.04445	1.9
99.08084	1.8
103.05455	2.3
104.06270	1.1
105.04502	1.9
105.07014	65.5
107.04267	0.7
107.04939	23.1
107.08578	23.9
109.02869	1.2
109.06509	7.1
109.10148	10.3
111.04446	1.9
111.08045	4.5
113.06010	1.3
113.09634	1.6
115.05476	2.5
117.07000	19.8
119.08568	38.4
121.06480	6.1
121.10130	11.6
123.04400	2.1
123.08061	4.9
123.11703	3.6
125.05941	0.9
125.09626	4.7
127.07533	1.2
128.06203	1.9
129.07018	5.6
130.07770	2.5
131.04921	1.3
131.08554	21.5
133.06505	1.7
133.10118	36.5
135.08031	6.3
135.11664	12.8
137.05937	1.0
137.09631	3.1
139.07535	1.9
141.06967	2.4
142.07780	1.4
143.08539	5.8
145.06448	4.1
145.10109	25.4
147.08054	3.5
147.11670	15.0
149.09589	8.6
149.13245	4.2
151.11208	1.6
153.09044	1.3
153.12663	1.4
155.08502	4.5
157.10135	5.5
158.07304	1.0
159.08057	2.6
159.11691	9.4
161.09602	2.8
161.13217	5.6
163.11162	15.7
165.09135	3.0
165.12808	1.7
169.10121	3.7
171.11714	3.3
173.09651	3.7
173.13306	2.9
175.11148	1.8
177.12772	3.7
179.14294	16.5
183.11736	3.5
185.13252	2.5
187.11185	3.6
189.11153	1.8
189.12743	1.1
191.10661	2.0
193.12169	2.2
195.13855	1.3
197.13239	2.5
201.12698	1.4
205.12289	1.4
209.11696	2.2
211.11221	0.9
211.14854	1.2
219.13863	1.5
227.12791	4.9
229.15912	0.9
229.19516	2.0
239.17967	2.2
241.14207	1.7
247.20570	2.1
257.19058	8.6
265.14319	1.3
267.15884	2.2
271.17209	1.5
273.18536	2.7
275.20032	77.4
276.20551	1.1
283.15424	2.8
291.19504	2.5
293.21054	5.0
313.21597	1.4
341.34799	1.0
349.23666	2.2
455.56296	1.0
465.30127	2.9
483.30807	2.2
539.33398	8.4
557.34698	100.0
558.35254	4.8
567.76691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	3.1
58.07699	1.4
69.03405	6.8
69.31895	16.0
73.02902	1.4
78.58479	1.5
81.03416	2.6
82.99841	2.8
85.02898	20.2
94.99842	1.5
97.02888	4.3
101.00871	15.7
113.00840	3.6
117.03980	3.0
119.01900	50.3
121.10105	2.0
127.02437	8.5
127.03881	9.9
129.03940	2.7
131.01872	20.3
133.03532	2.7
135.05025	2.8
137.02963	7.4
139.02376	1.6
141.03976	3.1
143.01880	32.3
145.03450	51.8
145.04733	2.5
147.01385	2.7
149.02928	3.8
153.01808	4.6
153.03970	2.0
155.01868	21.8
157.03427	11.5
159.05019	21.8
161.02939	52.9
162.03116	2.2
163.04530	12.7
167.01907	8.6
169.03436	41.2
171.01385	3.0
171.04997	12.4
173.02937	41.6
175.04539	2.7
179.01936	2.0
181.03439	7.8
183.05020	2.3
184.04547	1.9
185.02930	53.0
186.03156	1.6
187.04489	99.5
188.04710	2.3
189.02408	14.2
189.06061	4.4
191.03981	3.0
197.02948	20.9
197.08080	3.1
199.04495	21.1
201.02432	2.7
201.06163	3.4
203.03984	24.4
207.01596	1.4
207.03558	5.0
210.06091	3.3
211.04474	20.5
213.02344	14.6
213.03833	1.4
213.06154	4.2
215.00323	1.8
215.03960	12.1
219.03532	2.2
221.05087	5.7
223.04489	6.3
225.02423	5.0
227.03975	10.9
229.05597	7.5
231.03470	36.9
239.04132	2.8
243.03458	7.9
245.05042	100.0
246.05258	2.5
249.02168	1.7
249.04491	2.4
253.05682	1.9
255.03531	2.5
257.01385	9.2
257.05090	5.5
261.04745	1.7
261.08142	2.2
263.06070	17.0
269.01395	2.0
271.06641	17.5
273.04581	4.6
273.08136	5.0
273.58307	1.9
275.02463	62.4
275.06039	14.2
287.02429	22.2
289.07544	2.4
293.03503	18.5
293.07181	5.8
296.09341	2.3
297.04596	2.8
299.02386	1.8
305.03467	16.2
305.07144	5.9
305.13190	2.1
315.05664	5.7
317.03314	1.9
333.06537	2.7
335.04523	24.9
335.08136	5.2
341.03369	4.9
351.11322	3.1
359.04541	15.8
365.09253	9.3
377.05585	58.5
377.10400	3.2
386.11746	3.5
395.06647	89.8
396.06903	4.0
425.11462	3.1
539.11084	11.7
557.11938	42.9
558.11816	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.42
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.3
57.03413	8.6
57.07067	41.5
67.05499	19.8
69.07042	13.9
69.38811	13.5
69.39240	7.2
70.06577	7.3
71.08619	29.2
72.08138	2.2
73.02884	2.4
79.05476	17.6
81.07047	27.9
83.04962	2.6
83.08607	16.8
85.10164	14.6
88.07613	4.2
89.05991	6.8
91.05470	6.2
93.07030	25.8
95.04964	4.1
95.08592	49.6
97.06526	3.6
97.10149	5.1
97.32169	2.0
99.04449	2.5
105.07040	6.6
107.04942	5.0
107.08577	22.7
109.10131	10.3
117.06995	8.1
119.08560	5.8
121.06506	4.3
121.10130	13.6
123.11719	4.3
132.10197	5.1
133.08588	4.1
133.10129	4.9
135.08035	2.3
135.10675	3.4
135.11671	39.3
145.10106	23.6
146.11729	4.6
163.11156	49.0
172.47336	2.4
181.12186	9.4
227.12764	64.7
256.26321	4.1
257.24731	2.2
265.65222	2.0
283.15378	79.8
283.18524	4.1
283.26239	43.5
284.15784	3.1
284.38681	1.9
293.36731	2.0
300.28912	23.4
311.29266	2.7
313.27313	100.0
398.65396	2.0
521.38324	81.7
522.38617	2.8
556.52905	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10332	0.4
52.89140	0.5
55.01861	3.9
55.05503	0.6
57.03430	7.1
59.04995	0.8
61.02916	3.0
65.03925	2.1
67.05513	0.7
69.03059	0.9
69.03414	9.3
69.07050	0.5
69.68076	1.1
69.68481	3.4
70.06573	0.5
71.01332	2.0
71.04989	2.5
73.02903	10.1
75.41014	0.5
79.05474	1.1
81.03399	2.1
81.07051	1.9
83.04987	0.9
85.02893	20.6
85.06536	0.7
87.04443	1.4
91.05466	100.0
92.05792	1.1
93.07030	1.7
95.04954	1.3
95.08614	1.1
97.02878	16.5
98.21522	1.0
99.04444	1.4
103.03955	1.2
103.05420	0.7
105.07050	1.7
107.04954	0.9
107.08569	1.0
109.02854	2.4
109.06525	0.8
109.10159	0.8
115.03913	7.5
119.04958	0.5
119.08566	0.7
121.06496	1.8
121.10096	1.1
123.04387	0.7
123.11671	1.0
124.07573	1.8
127.03899	6.2
131.04901	1.7
131.08636	0.6
133.04941	10.8
133.06462	0.6
135.08017	0.7
137.02405	0.6
137.05974	4.7
137.13324	0.5
138.06357	0.6
142.08664	1.2
145.04939	8.6
145.08594	1.5
147.04384	1.1
149.05991	0.6
149.09642	0.8
151.03946	0.5
151.07542	1.4
153.01816	1.2
153.05470	0.7
163.03896	1.5
163.06023	2.1
163.07573	2.2
163.11224	0.6
165.09108	0.6
167.03427	0.7
167.07014	4.5
168.07404	0.8
169.63390	0.5
175.07478	0.5
176.84190	0.5
177.05331	0.6
177.09146	0.5
179.07039	1.5
181.04901	0.7
188.03716	3.2
189.81526	0.5
191.07016	0.5
193.04924	0.8
193.08517	0.7
193.80205	0.5
203.03397	0.6
208.10890	0.9
223.05975	1.6
233.04591	0.8
241.07100	1.6
245.08069	11.6
245.10371	0.9
257.07983	0.7
259.08087	0.9
269.08105	1.7
293.08206	1.1
295.09976	0.6
311.09235	1.0
323.09097	1.2
335.09207	0.6
341.09924	0.6
353.09964	0.9
358.13980	0.8
359.10928	0.7
359.15012	0.7
371.11447	1.3
389.12741	1.1
401.15903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10332	0.4
52.89140	0.5
55.01861	3.9
55.05503	0.6
57.03430	7.1
59.04995	0.8
61.02916	3.0
65.03925	2.1
67.05513	0.7
69.03059	0.9
69.03414	9.3
69.07050	0.5
69.68076	1.1
69.68481	3.4
70.06573	0.5
71.01332	2.0
71.04989	2.5
73.02903	10.1
75.41014	0.5
79.05474	1.1
81.03399	2.1
81.07051	1.9
83.04987	0.9
85.02893	20.6
85.06536	0.7
87.04443	1.4
91.05466	100.0
92.05792	1.1
93.07030	1.7
95.04954	1.3
95.08614	1.1
97.02878	16.5
98.21522	1.0
99.04444	1.4
103.03955	1.2
103.05420	0.7
105.07050	1.7
107.04954	0.9
107.08569	1.0
109.02854	2.4
109.06525	0.8
109.10159	0.8
115.03913	7.5
119.04958	0.5
119.08566	0.7
121.06496	1.8
121.10096	1.1
123.04387	0.7
123.11671	1.0
124.07573	1.8
127.03899	6.2
131.04901	1.7
131.08636	0.6
133.04941	10.8
133.06462	0.6
135.08017	0.7
137.02405	0.6
137.05974	4.7
137.13324	0.5
138.06357	0.6
142.08664	1.2
145.04939	8.6
145.08594	1.5
147.04384	1.1
149.05991	0.6
149.09642	0.8
151.03946	0.5
151.07542	1.4
153.01816	1.2
153.05470	0.7
163.03896	1.5
163.06023	2.1
163.07573	2.2
163.11224	0.6
165.09108	0.6
167.03427	0.7
167.07014	4.5
168.07404	0.8
169.63390	0.5
175.07478	0.5
176.84190	0.5
177.05331	0.6
177.09146	0.5
179.07039	1.5
181.04901	0.7
188.03716	3.2
189.81526	0.5
191.07016	0.5
193.04924	0.8
193.08517	0.7
193.80205	0.5
203.03397	0.6
208.10890	0.9
223.05975	1.6
233.04591	0.8
241.07100	1.6
245.08069	11.6
245.10371	0.9
257.07983	0.7
259.08087	0.9
269.08105	1.7
293.08206	1.1
295.09976	0.6
311.09235	1.0
323.09097	1.2
335.09207	0.6
341.09924	0.6
353.09964	0.9
358.13980	0.8
359.10928	0.7
359.15012	0.7
371.11447	1.3
389.12741	1.1
401.15903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01866	1.9
55.05507	0.5
57.03432	5.0
59.04983	0.6
61.02920	2.7
65.03942	1.5
67.05500	0.9
69.03419	8.1
69.07066	1.0
71.01378	0.6
71.04977	1.3
71.62846	0.4
73.02908	12.3
79.05488	0.9
81.03413	1.6
81.07048	1.0
82.57844	0.4
83.08611	0.5
85.02896	17.0
85.06512	0.3
87.04444	1.0
91.05471	100.0
92.05811	0.9
93.07053	1.0
95.04978	0.7
95.08593	0.9
97.02880	12.2
99.04455	1.1
101.60854	0.3
103.03931	0.6
105.07043	0.8
107.04942	3.0
107.08588	1.1
107.13431	0.3
109.02866	2.1
109.06486	0.4
109.10187	0.9
111.04461	0.4
114.09184	0.4
115.03909	6.6
116.72344	0.3
119.08555	0.5
121.06524	0.7
121.10134	0.5
121.47778	0.3
123.11715	0.4
124.07556	0.7
124.24513	0.3
127.03903	6.2
131.04976	0.4
131.08542	0.4
133.04948	8.6
133.06454	0.5
133.10118	0.3
137.05952	0.6
139.03868	0.3
145.04929	8.6
145.10117	0.8
147.11668	0.6
151.03896	0.6
153.01875	0.4
159.11719	0.3
163.06042	2.3
163.07335	0.5
165.12860	0.4
167.03366	1.0
167.07037	5.1
168.07384	1.3
181.04974	0.4
183.13867	0.8
195.10229	0.7
199.06030	0.6
217.06932	0.4
223.05998	1.2
227.07031	0.7
229.66270	0.3
241.07080	1.2
245.08060	9.5
259.08148	1.3
277.09219	0.4
295.10089	0.3
381.89297	0.3
556.27350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57676	0.2
54.63912	0.2
55.01864	1.3
56.07366	0.2
57.03431	2.3
59.04992	0.3
61.02923	1.4
65.03922	1.3
67.05512	0.2
69.03416	3.5
69.07059	0.3
69.74020	1.3
71.01343	0.4
71.04984	0.4
73.02496	0.4
73.02908	8.0
79.05483	0.6
81.03399	0.5
81.07034	0.6
83.04980	0.3
83.09707	0.2
85.02895	7.6
85.06518	0.3
87.04448	0.6
91.05469	100.0
92.05795	0.7
93.07025	0.5
95.04932	0.3
95.08591	0.4
96.04453	0.3
96.08126	0.5
97.02880	9.7
97.06487	0.3
99.04427	0.5
104.99708	0.2
105.07019	0.9
105.33440	0.2
107.04932	0.2
107.08556	0.2
109.02840	0.9
109.06533	0.5
109.10169	0.4
111.02483	0.2
115.03909	3.7
115.07593	0.2
117.07013	0.7
119.08575	0.3
121.02863	0.2
121.06496	0.5
123.04430	0.2
123.08100	0.3
124.07586	4.3
127.03891	2.6
129.07001	0.5
131.04941	0.3
131.08522	0.3
132.06541	0.2
133.04951	3.9
133.06490	0.3
133.10106	0.2
137.02408	0.2
137.05991	0.7
142.08623	2.9
143.03357	0.3
143.08569	0.4
145.04948	3.2
145.06523	0.3
145.08571	0.5
145.10159	0.3
147.11690	0.3
149.06073	0.2
150.07597	0.7
151.03932	0.3
153.01802	0.4
157.06479	0.4
161.04480	0.5
163.06006	0.9
163.07294	0.2
163.11125	0.2
167.03354	1.1
167.07008	2.1
168.07352	0.4
171.07985	0.2
175.07539	0.3
175.11147	0.2
177.09158	0.2
189.12700	0.2
192.65593	0.2
207.13762	0.3
217.08698	0.4
217.12366	0.2
223.06010	0.6
227.06984	0.5
235.09583	0.2
241.07036	0.5
245.08066	7.6
253.10551	0.2
259.08041	0.6
277.09229	0.2
288.82632	0.2
298.66360	0.2
548.11420	0.2
556.28296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.0
55.01863	9.6
55.05252	0.9
55.05502	13.7
57.03432	7.6
57.07067	28.1
63.87743	0.6
65.03925	1.3
66.04681	0.7
67.05494	37.9
68.05827	0.7
69.03401	3.0
69.07058	21.2
69.48840	6.0
71.04974	2.3
71.08234	0.7
71.08623	20.2
79.05480	27.5
81.02970	1.1
81.03409	11.7
81.07044	40.7
83.04973	6.7
83.08605	14.1
85.02859	1.4
85.06504	2.0
85.10165	9.9
91.05468	33.4
92.05782	0.8
93.06462	1.2
93.07031	22.8
95.01319	5.1
95.04961	10.9
95.08592	34.7
96.08920	0.7
97.02876	1.4
97.06517	17.5
97.10159	6.2
98.98451	71.3
99.04430	1.9
99.08075	1.5
105.04530	0.9
105.07014	33.1
107.04932	11.5
107.08588	10.7
109.02878	5.5
109.06503	2.8
109.10146	11.8
110.10482	1.1
111.08038	1.2
111.11697	1.1
115.05428	1.2
116.99496	2.2
117.07005	8.1
119.08568	20.0
121.06474	1.5
121.10133	4.9
123.04444	1.4
123.08074	3.8
123.11676	4.5
125.09638	1.9
127.03855	0.6
128.06245	1.3
129.06981	5.0
131.08546	8.6
133.06493	0.9
133.10106	17.0
135.08034	1.7
135.11685	3.6
137.09557	1.9
137.13243	1.6
139.07512	1.6
140.01080	2.5
141.06955	1.2
143.08508	4.0
145.04950	0.7
145.06432	1.7
145.10086	8.1
147.11662	13.1
149.09598	4.0
149.13269	1.8
151.11163	0.9
155.01018	100.0
155.08553	0.9
156.01402	1.0
157.10109	1.8
159.11670	5.0
161.09637	1.3
161.13200	5.3
163.11140	2.2
165.09116	1.2
169.10069	1.4
171.11661	6.8
173.13300	1.8
175.11174	0.8
175.14781	0.8
177.12723	1.5
179.14265	8.0
183.11714	1.1
187.11163	1.3
189.12744	2.9
196.03723	1.5
197.13284	1.1
207.13777	3.5
221.22618	1.1
223.13322	0.7
225.14929	1.2
229.14354	1.3
230.14725	0.8
239.18147	1.2
239.23686	12.3
241.14435	1.0
243.02760	1.3
247.20583	1.8
257.18951	2.8
257.24722	0.8
259.20529	1.6
275.20016	39.7
276.20419	0.7
279.15820	3.8
281.04205	0.7
291.19492	0.8
292.19846	1.6
293.21149	4.4
299.05243	0.7
313.27316	70.5
314.27600	4.9
317.06296	9.1
349.23737	2.1
366.23746	0.8
383.27924	1.7
393.23956	9.0
401.28857	5.4
402.29294	0.9
441.19461	0.8
520.33575	1.6
537.28296	3.7
537.36115	1.4
555.22375	1.7
555.36804	35.4
556.37006	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01874	4.7
55.05499	6.6
57.03430	2.5
65.71014	2.3
67.05491	10.7
69.03416	11.6
69.07073	11.1
71.04985	6.7
71.06964	4.9
79.05473	13.8
81.03414	18.2
81.07049	22.1
83.04948	12.2
83.08597	2.5
85.02898	8.9
85.06531	6.6
91.05435	11.4
93.07037	34.9
95.04961	12.9
95.08589	13.4
97.02878	8.8
97.06516	19.0
99.04435	16.8
99.08070	2.5
105.07020	20.3
107.04987	4.2
107.08585	22.2
109.02876	30.7
109.06510	17.6
109.10147	8.7
111.04459	2.8
111.08078	16.1
113.05982	3.8
116.32521	2.2
119.08555	14.9
121.06490	45.0
121.10133	8.5
123.04386	3.4
123.08058	6.5
123.11706	7.6
125.05992	6.7
127.03900	29.7
127.07520	6.7
131.08501	5.0
133.06462	3.6
133.10123	13.0
135.04456	3.1
135.08035	13.0
135.11713	4.3
137.05960	9.8
139.07523	12.3
143.07019	10.8
143.08548	7.1
145.04997	3.9
145.10112	7.9
147.08017	3.2
147.11664	38.1
149.09630	3.3
149.13287	2.8
151.03831	3.2
155.06973	2.2
156.09241	2.9
157.08592	5.6
157.10132	14.2
161.13228	9.4
163.11148	5.7
165.12733	17.3
165.71490	2.3
167.10754	3.0
169.12253	6.5
171.11694	10.3
173.09604	4.5
173.13307	2.7
175.11159	28.3
179.06914	2.7
181.10060	2.7
185.87189	2.6
187.06000	11.3
189.12679	15.0
191.10728	5.3
193.12215	24.2
199.11090	18.5
205.07146	4.6
207.13815	17.7
209.11766	4.1
211.13243	15.9
217.12221	61.0
227.12779	6.2
229.14348	7.6
235.13254	80.0
235.15550	4.6
253.14320	100.0
271.15463	10.9
289.16309	2.9
291.10803	4.7
313.16382	3.6
314.10300	2.3
343.15167	2.8
353.15750	3.2
361.16406	9.2
379.17532	11.4
397.18732	16.0
415.19598	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	555.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54725	0.5
52.93713	0.5
53.03928	1.3
55.05509	1.1
57.03420	0.9
57.07062	1.0
58.50633	0.5
59.04956	0.5
63.04660	0.5
67.05489	3.3
68.09704	0.5
69.03426	5.3
69.07050	2.1
71.04975	1.9
71.61771	0.9
79.01836	2.2
79.05484	2.0
81.03407	7.4
81.07046	5.6
83.04950	2.0
85.02892	4.0
85.06535	1.3
85.07643	0.6
87.04353	0.5
91.05455	3.9
93.06464	0.7
93.07031	12.9
95.04955	3.5
95.08600	3.4
97.02874	5.7
97.06496	1.7
99.04446	1.8
99.08085	1.6
103.05491	0.8
105.07018	3.7
107.01299	1.3
107.04930	0.8
107.08574	5.4
109.02867	5.2
109.06525	2.7
109.10142	6.2
111.04440	0.5
111.08092	0.6
119.08558	2.7
120.08089	0.6
121.06496	12.8
121.10122	4.3
123.08076	0.7
123.11709	2.2
125.02345	2.9
127.03905	8.7
127.07533	1.8
127.11237	0.5
127.21274	0.5
131.04910	0.7
131.08569	2.1
133.10106	2.1
135.08046	1.5
135.11685	1.3
137.05977	2.2
137.09581	2.0
139.07567	0.8
139.11208	1.1
143.03391	4.4
143.08537	0.6
145.04933	1.6
145.06349	0.5
145.08507	1.3
145.10094	1.5
147.11691	1.4
149.05971	1.0
149.09599	5.3
149.13251	1.4
151.03915	0.6
151.11095	1.1
153.01810	100.0
153.12720	1.8
156.38618	0.5
157.10098	1.2
159.11716	2.7
161.09650	0.5
161.13336	1.0
163.07491	1.1
163.11197	1.3
165.12700	1.0
167.07092	0.8
167.08691	0.5
169.12253	0.5
171.02864	13.4
175.11200	2.5
177.12764	0.8
179.10632	1.0
187.11169	1.9
193.12204	2.1
195.17557	0.5
201.16478	0.6
205.12190	7.6
223.13249	14.2
267.21292	0.7
279.04965	0.9
283.19077	0.5
285.22046	0.8
297.06018	9.0
303.23160	2.7
313.11514	0.7
315.07077	13.3
315.12643	0.8
321.24240	5.9
339.25137	2.3
357.26157	1.1
373.13736	0.9
375.14282	0.8
393.28506	0.7
522.18396	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38882	0.2
53.03921	0.4
54.86044	0.2
55.01864	1.2
55.05494	3.1
57.03431	1.5
57.07061	0.6
59.04988	0.5
61.02910	1.3
65.03944	0.4
67.05489	2.0
69.03421	3.9
69.07057	7.2
71.04982	2.0
71.08620	0.3
71.61359	0.3
71.61733	0.4
73.02911	0.7
79.05479	2.9
81.03423	1.7
81.07046	9.4
83.01304	0.2
83.04965	0.3
83.08601	5.6
85.02894	18.7
85.06532	2.1
89.23170	0.3
91.03937	0.9
91.05463	2.1
93.07030	7.9
95.04964	0.9
95.08593	19.8
96.08887	0.3
96.55632	0.3
97.02274	0.4
97.02874	4.3
97.06472	0.4
97.10149	3.4
98.12519	0.3
99.04431	0.8
99.08076	8.4
103.05532	0.3
105.06998	2.6
107.08577	23.2
109.02861	1.9
109.06491	0.8
109.10140	5.9
111.08072	4.6
113.09637	1.4
115.36080	0.2
119.08554	1.2
121.00536	0.2
121.10125	38.0
123.08070	1.0
123.11704	1.5
125.09600	3.1
125.13237	0.3
127.03049	0.5
127.03902	4.7
127.07545	0.3
133.10110	0.7
135.11674	9.0
137.05949	0.9
137.09622	0.3
137.13232	3.9
139.11153	0.6
145.04941	7.9
147.11661	0.7
149.13235	2.9
153.01811	1.8
154.02148	0.5
155.64473	0.3
161.06023	0.4
163.06001	4.0
167.06995	0.5
175.11256	0.3
175.14787	0.4
177.16360	100.0
178.16667	1.0
180.08633	0.4
193.08498	0.4
195.17422	21.7
201.16330	0.3
207.13692	0.4
211.08513	0.3
212.09109	0.3
213.18463	47.6
225.10149	0.5
225.14813	0.5
226.10632	0.5
233.08041	0.4
240.11874	0.3
242.10194	0.3
254.10115	0.5
267.11240	0.6
268.11758	0.7
289.09164	0.4
296.10947	0.3
313.11810	1.1
314.12158	2.7
315.12039	0.3
325.11252	2.0
341.10995	0.3
342.11548	0.5
373.13977	2.0
374.14218	6.8
374.18964	0.4
375.13748	0.3
375.23691	2.1
494.16913	0.4
522.16559	0.6
554.19263	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	5.0
53.53662	2.1
55.01857	3.9
55.05498	6.7
57.03437	3.0
67.05498	10.6
69.03421	16.4
69.07051	16.7
71.04964	10.2
79.05473	22.2
80.95592	2.3
81.03408	14.4
81.07045	38.9
83.04968	10.8
83.08595	6.0
85.02890	23.2
85.06524	14.7
87.04451	2.6
89.09670	2.1
91.05482	16.1
93.07029	50.4
95.04958	11.7
95.08593	34.0
97.02903	12.3
97.06528	19.8
99.04446	15.7
99.08082	4.7
101.06022	2.3
103.05454	3.2
105.07013	28.5
107.04929	5.7
107.08575	38.5
109.02863	22.1
109.06490	22.4
109.10162	14.7
111.04404	3.0
111.08057	7.4
113.06014	3.1
113.09616	6.4
115.03907	3.5
119.04945	4.4
119.08569	19.7
121.02850	2.3
121.05666	2.3
121.06500	39.2
121.10123	34.1
122.32710	2.4
123.04459	3.9
123.08025	5.4
123.11722	3.5
124.03893	5.9
125.05978	8.2
125.09591	4.1
127.03878	22.8
127.07524	9.7
128.06148	3.1
129.06947	5.2
131.04916	4.2
131.07109	2.2
131.08559	5.9
133.06480	3.7
133.10101	12.1
135.08035	12.0
135.11678	5.4
137.05943	22.3
137.09633	3.1
137.13249	6.2
138.06310	5.9
139.06577	2.2
139.07471	10.5
141.06938	2.7
142.07704	3.1
143.06966	5.1
143.08549	6.4
145.04962	5.1
145.10098	9.3
147.04390	3.5
147.08006	5.8
147.11678	41.8
149.02391	3.4
149.09636	3.3
149.13242	4.8
151.03864	4.6
151.07515	6.0
151.11177	2.2
153.01834	3.3
153.05457	4.0
155.08659	2.8
156.09337	2.6
157.08598	3.9
157.10097	12.4
161.05937	9.6
161.09558	3.0
161.13255	5.9
163.03824	2.4
163.07500	4.2
163.11147	7.0
165.09076	2.5
165.12759	18.2
167.07018	21.8
168.07356	4.9
171.11609	12.8
173.09618	5.4
175.07501	6.3
175.11145	21.4
177.08997	2.5
177.16362	34.2
179.06992	2.7
181.04941	3.9
187.05972	6.9
189.09087	2.9
189.12708	20.3
191.14223	2.9
193.08522	3.8
193.12186	18.4
195.17401	27.3
199.11125	16.8
205.06940	5.4
207.13739	13.7
209.11768	2.9
211.07639	2.9
211.13225	13.4
213.18472	2.7
217.12201	54.3
227.12775	4.0
229.14302	5.7
233.11821	2.6
235.13269	74.4
239.07098	4.3
253.14316	100.0
254.14720	3.0
271.15356	14.0
287.05399	3.8
291.10623	4.9
303.23315	2.4
313.10608	5.6
321.24097	3.5
343.15439	4.8
345.13361	12.2
357.13126	2.9
361.16418	10.1
379.17389	13.7
397.18552	18.8
415.19470	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	553.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	3.0
53.03938	9.0
55.01862	5.0
55.05501	7.4
55.81285	3.1
57.03415	5.3
59.04974	3.3
61.02908	3.3
62.11996	2.6
64.80518	2.4
65.03925	2.8
67.05495	13.2
67.76569	2.3
69.03423	22.1
69.07050	14.5
69.78886	8.0
69.79314	9.2
71.04977	11.1
71.48044	2.2
77.07240	2.4
77.08638	2.0
79.05482	18.5
81.03410	27.1
81.07042	40.6
83.04980	16.5
83.08614	4.4
85.02895	19.7
85.06535	26.4
91.05477	14.0
93.03338	3.1
93.07037	48.7
95.04957	17.3
95.08598	20.1
97.02887	15.0
97.06525	30.7
99.04436	18.7
103.05467	3.2
103.07555	4.4
105.07008	31.5
107.04945	9.1
107.08580	32.2
109.02872	37.2
109.06512	23.9
109.10146	12.5
111.04420	8.4
111.08044	16.0
113.05954	3.0
115.07542	4.9
117.06969	3.2
119.08572	22.5
121.06499	48.3
121.10107	12.5
123.04404	4.7
123.08027	8.9
123.11668	9.8
125.05989	17.3
125.09586	3.4
127.02961	3.7
127.03898	43.4
127.07539	11.0
127.11192	2.4
129.07022	7.0
131.04918	3.9
131.07018	4.2
131.08560	7.0
133.06509	6.5
133.10123	19.0
135.04387	7.1
135.08044	15.7
135.11702	3.9
137.05971	31.5
137.09612	4.5
139.07500	12.3
141.05432	3.7
143.07024	14.6
143.08530	9.1
145.04945	6.5
145.06461	3.3
145.10094	10.8
147.04430	3.2
147.08012	4.3
147.11676	44.4
149.05928	5.9
149.09554	3.9
149.13223	5.5
151.03885	53.7
151.07520	6.8
151.11162	6.7
153.01820	7.7
153.05382	2.4
153.09050	5.9
155.06993	3.7
157.08592	7.8
157.10098	13.8
159.06474	3.0
159.08034	3.4
161.05972	9.8
161.09601	5.3
161.13278	11.5
163.07494	7.2
163.11194	5.8
164.11526	2.9
165.09152	4.5
165.12737	19.8
167.07033	29.2
169.04939	10.0
169.12228	10.0
171.11642	11.3
173.09567	6.1
173.13232	2.8
174.06647	3.9
175.07512	7.0
175.11163	28.8
177.09036	3.5
179.07001	2.6
181.04919	4.1
181.08611	3.5
181.10089	3.2
183.13814	5.5
187.06079	16.6
187.11107	4.2
189.09044	6.8
189.12659	16.9
191.06906	2.8
193.08565	8.2
193.12247	32.4
199.11130	25.1
205.07016	5.4
207.13803	18.8
209.15324	5.7
211.09644	6.0
211.13258	22.0
217.12189	62.0
223.13190	2.8
225.14883	7.4
229.14384	5.8
233.08064	6.0
234.11972	3.1
235.13260	88.2
246.31677	2.4
251.12671	2.8
253.14316	100.0
271.15363	14.9
277.08606	3.2
289.12708	9.3
291.10086	2.8
295.07907	2.4
303.85172	2.9
313.09171	5.0
313.16647	3.0
319.15704	2.6
337.23718	3.4
340.13275	3.1
343.15710	3.4
355.24786	3.3
361.16318	8.0
372.15134	4.7
373.15918	3.7
379.17545	17.8
396.17163	3.6
397.18585	18.1
415.19785	6.1
433.20770	3.1
553.19171	4.1
559.50720	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	552.498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83781	2.6
55.05503	5.8
56.33445	2.6
57.07050	3.0
60.04519	3.6
67.05488	8.5
69.07050	7.6
71.62861	5.5
75.91134	2.6
77.08491	2.8
79.05480	9.5
81.07041	11.9
82.06560	5.4
82.38412	3.0
83.08601	3.2
91.05459	6.9
93.07016	10.0
94.06563	16.4
95.07347	7.3
95.08582	11.1
96.08094	4.9
104.19989	2.9
105.06991	4.9
107.08605	4.8
108.08095	3.6
119.08562	6.1
121.10123	7.6
135.11664	4.3
146.32623	2.6
151.93423	2.7
250.25282	11.1
262.25253	100.0
280.26300	6.2
516.47498	9.8
534.48578	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	553.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96567	0.2
53.00072	0.2
53.03934	0.4
55.01852	0.8
55.05487	0.6
57.03431	0.5
57.07055	0.3
58.08562	0.2
61.77628	0.2
65.03932	0.3
67.05479	1.0
69.03417	1.1
69.07056	0.7
71.04982	2.1
73.02915	0.3
78.04692	1.6
79.05483	1.9
81.03406	1.0
81.07049	2.8
83.04967	0.7
83.08582	0.4
85.02891	2.4
85.06523	0.8
91.05469	2.8
92.36775	0.2
93.07033	2.0
95.04976	1.1
95.08606	1.9
97.02867	0.7
97.06507	0.5
97.10152	0.2
99.04425	0.5
99.08049	0.3
103.05441	0.9
105.07008	2.0
106.04145	0.5
107.04935	1.8
107.08559	1.6
108.08949	0.3
109.02851	0.9
109.06490	0.5
109.10137	1.5
110.10497	0.2
111.04414	0.4
111.08051	0.3
117.06993	0.3
119.04911	0.5
119.08533	1.0
121.06493	2.0
121.10106	1.0
122.03628	0.3
123.04412	3.6
123.08040	0.6
123.11673	0.8
124.05186	1.2
125.05954	0.5
125.09614	0.3
127.03884	0.7
127.11128	0.3
129.05460	0.2
131.04854	0.5
131.08530	0.3
133.06445	0.9
133.10104	0.4
135.04433	0.4
135.08044	0.3
135.11658	0.7
137.05959	2.5
137.09573	0.5
137.13232	0.2
139.11107	0.3
145.06474	0.3
145.10132	0.4
147.04367	0.5
147.11653	0.9
149.05957	2.8
149.09589	0.5
149.13217	0.7
151.03896	1.0
151.07555	0.4
151.11165	0.3
152.04623	1.2
153.01808	1.9
153.05435	1.1
153.12781	0.3
157.10057	0.4
161.05969	1.3
161.13283	0.3
163.07614	0.4
163.11069	0.3
165.05602	0.4
165.12729	0.3
166.06230	0.3
167.07011	100.0
168.07355	0.3
173.13150	0.3
175.07483	0.6
179.06972	0.6
179.23134	0.2
180.79802	0.2
181.05013	0.3
181.08557	3.1
183.02896	0.3
183.13873	0.3
187.07523	0.3
187.11154	0.2
191.06879	0.3
191.10631	0.2
193.08577	5.0
194.05672	0.3
199.07547	0.2
205.08617	0.3
207.13887	0.4
209.08070	0.8
211.07619	0.4
211.09618	7.1
217.15862	0.3
221.18932	0.4
234.07306	0.2
235.13152	0.3
237.09238	0.2
241.21623	0.5
252.07678	0.2
253.08652	0.4
253.14310	0.4
257.08206	0.3
271.09561	0.6
285.11356	0.3
297.11142	0.3
299.09424	0.3
315.12299	1.3
337.10565	0.2
337.31122	0.3
338.23749	0.3
343.11676	0.6
345.13409	1.8
369.13062	0.2
373.20023	0.3
375.14261	1.1
389.15259	0.3
407.16922	1.4
553.20673	0.4
553.26099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.8
55.01866	5.3
55.05505	7.4
57.03427	5.7
59.04989	2.6
60.77057	2.5
61.02921	3.2
65.03919	2.8
66.96587	2.1
67.05488	15.3
69.03418	15.6
69.07059	15.7
71.04982	14.5
71.62317	4.3
73.32405	2.1
79.05473	19.0
81.03402	21.2
81.07046	41.5
82.07372	4.8
83.04978	14.1
83.08611	4.5
85.02882	13.9
85.06527	11.7
86.06841	2.7
91.05460	15.5
93.07033	52.0
94.04190	2.2
94.07329	3.3
95.04950	16.2
95.08588	27.8
96.08928	4.2
97.02882	10.7
97.06496	22.6
99.04430	18.2
99.08031	2.4
101.05965	2.7
103.05443	4.5
105.07028	32.7
107.04940	9.4
107.08582	31.4
108.08916	5.1
109.02862	28.9
109.06504	23.8
109.10136	18.8
110.10475	5.7
111.04434	5.8
111.08064	17.0
113.05990	6.1
115.05478	4.8
116.05729	2.4
117.07013	5.7
119.04934	4.7
119.07277	3.3
119.08563	23.7
120.08924	4.3
121.06503	41.5
121.10097	15.8
122.03654	5.4
122.06799	3.6
123.04438	4.0
123.08068	6.1
123.11699	9.6
124.12086	2.8
125.05981	15.1
125.09617	2.3
127.03891	33.4
127.07540	7.3
127.11156	4.7
128.11485	2.8
129.05513	2.6
129.07013	5.0
131.04900	9.1
131.08569	6.4
133.02823	2.8
133.06488	6.4
133.10110	16.2
135.04401	3.6
135.08020	12.0
135.11694	10.9
136.12056	3.6
137.05962	75.3
137.09583	5.0
137.13245	4.6
138.06360	8.4
138.09082	3.6
139.07527	13.1
143.04884	5.2
143.07013	9.4
143.08548	8.2
145.04874	5.0
145.06459	5.6
145.10126	15.0
147.04367	4.8
147.08034	6.7
147.11664	44.4
148.12009	5.3
149.05978	4.6
149.09584	5.2
149.13239	7.2
151.03864	5.2
151.07536	5.8
151.11171	7.2
152.11618	2.9
153.01779	6.5
153.05446	3.6
153.09065	4.9
155.08414	2.5
157.08673	4.3
157.10117	15.9
159.11716	3.4
160.05135	5.6
161.05959	13.4
161.09587	4.0
161.13237	10.5
163.07545	9.5
163.11185	5.4
163.14786	3.1
165.05498	2.8
165.09010	3.5
165.12712	20.9
166.08647	7.6
167.07036	20.1
168.07359	3.3
169.12245	8.9
171.11688	12.8
173.09612	5.9
173.13269	2.8
175.07579	12.5
175.11153	24.0
177.05492	4.2
177.09045	4.0
177.16342	2.9
179.07068	2.8
181.04964	5.4
187.06059	9.5
187.07571	3.6
189.09116	4.7
189.12704	16.8
191.07034	2.9
191.14262	5.2
193.08533	5.5
193.12186	25.2
199.11133	18.8
203.07069	3.5
203.17941	4.6
204.18228	2.9
205.06935	4.5
206.04599	2.8
206.07083	2.5
207.13846	7.2
211.09584	3.7
211.13139	15.5
217.12228	51.5
219.10240	3.7
222.19324	5.2
223.16949	3.5
229.14355	4.3
235.13272	70.9
253.14320	100.0
254.14613	3.4
271.15390	21.5
277.08545	3.4
282.87961	2.6
289.16321	8.4
301.21585	2.3
313.16318	4.6
318.25122	6.5
319.15219	2.4
319.22620	6.7
336.25977	7.0
337.24008	4.9
343.15402	4.0
351.16113	2.7
354.27127	4.8
355.24625	3.1
361.16394	11.8
379.17429	16.6
397.18588	25.1
415.19452	13.3
433.20718	6.4
506.17926	11.8
534.18408	2.9
552.18982	7.5
553.18787	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	552.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.8
55.01866	5.3
55.05505	7.4
57.03427	5.7
59.04989	2.6
60.77057	2.5
61.02921	3.2
65.03919	2.8
66.96587	2.1
67.05488	15.3
69.03418	15.6
69.07059	15.7
71.04982	14.5
71.62317	4.3
73.32405	2.1
79.05473	19.0
81.03402	21.2
81.07046	41.5
82.07372	4.8
83.04978	14.1
83.08611	4.5
85.02882	13.9
85.06527	11.7
86.06841	2.7
91.05460	15.5
93.07033	52.0
94.04190	2.2
94.07329	3.3
95.04950	16.2
95.08588	27.8
96.08928	4.2
97.02882	10.7
97.06496	22.6
99.04430	18.2
99.08031	2.4
101.05965	2.7
103.05443	4.5
105.07028	32.7
107.04940	9.4
107.08582	31.4
108.08916	5.1
109.02862	28.9
109.06504	23.8
109.10136	18.8
110.10475	5.7
111.04434	5.8
111.08064	17.0
113.05990	6.1
115.05478	4.8
116.05729	2.4
117.07013	5.7
119.04934	4.7
119.07277	3.3
119.08563	23.7
120.08924	4.3
121.06503	41.5
121.10097	15.8
122.03654	5.4
122.06799	3.6
123.04438	4.0
123.08068	6.1
123.11699	9.6
124.12086	2.8
125.05981	15.1
125.09617	2.3
127.03891	33.4
127.07540	7.3
127.11156	4.7
128.11485	2.8
129.05513	2.6
129.07013	5.0
131.04900	9.1
131.08569	6.4
133.02823	2.8
133.06488	6.4
133.10110	16.2
135.04401	3.6
135.08020	12.0
135.11694	10.9
136.12056	3.6
137.05962	75.3
137.09583	5.0
137.13245	4.6
138.06360	8.4
138.09082	3.6
139.07527	13.1
143.04884	5.2
143.07013	9.4
143.08548	8.2
145.04874	5.0
145.06459	5.6
145.10126	15.0
147.04367	4.8
147.08034	6.7
147.11664	44.4
148.12009	5.3
149.05978	4.6
149.09584	5.2
149.13239	7.2
151.03864	5.2
151.07536	5.8
151.11171	7.2
152.11618	2.9
153.01779	6.5
153.05446	3.6
153.09065	4.9
155.08414	2.5
157.08673	4.3
157.10117	15.9
159.11716	3.4
160.05135	5.6
161.05959	13.4
161.09587	4.0
161.13237	10.5
163.07545	9.5
163.11185	5.4
163.14786	3.1
165.05498	2.8
165.09010	3.5
165.12712	20.9
166.08647	7.6
167.07036	20.1
168.07359	3.3
169.12245	8.9
171.11688	12.8
173.09612	5.9
173.13269	2.8
175.07579	12.5
175.11153	24.0
177.05492	4.2
177.09045	4.0
177.16342	2.9
179.07068	2.8
181.04964	5.4
187.06059	9.5
187.07571	3.6
189.09116	4.7
189.12704	16.8
191.07034	2.9
191.14262	5.2
193.08533	5.5
193.12186	25.2
199.11133	18.8
203.07069	3.5
203.17941	4.6
204.18228	2.9
205.06935	4.5
206.04599	2.8
206.07083	2.5
207.13846	7.2
211.09584	3.7
211.13139	15.5
217.12228	51.5
219.10240	3.7
222.19324	5.2
223.16949	3.5
229.14355	4.3
235.13272	70.9
253.14320	100.0
254.14613	3.4
271.15390	21.5
277.08545	3.4
282.87961	2.6
289.16321	8.4
301.21585	2.3
313.16318	4.6
318.25122	6.5
319.15219	2.4
319.22620	6.7
336.25977	7.0
337.24008	4.9
343.15402	4.0
351.16113	2.7
354.27127	4.8
355.24625	3.1
361.16394	11.8
379.17429	16.6
397.18588	25.1
415.19452	13.3
433.20718	6.4
506.17926	11.8
534.18408	2.9
552.18982	7.5
553.18787	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	552.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.05474	0.6
57.03405	0.3
65.03892	0.3
67.05453	1.0
69.03371	1.0
69.07064	0.5
71.04942	1.1
71.62035	0.2
71.62553	0.3
79.05443	1.1
80.05796	0.3
81.03361	0.8
81.07052	2.6
82.06552	0.3
82.07351	0.6
83.04950	0.6
85.02888	1.2
85.06480	0.7
87.12377	0.3
91.05470	1.3
92.05754	0.3
93.07042	3.1
94.04123	0.3
94.06557	1.3
94.07353	0.3
95.04920	0.8
95.07298	1.1
95.08586	2.0
96.08112	2.6
97.02863	0.6
97.06522	1.2
99.04444	0.6
99.08033	0.7
100.11198	0.3
103.05430	0.4
105.07014	1.6
107.04919	0.5
107.08563	1.7
108.08092	2.0
109.02823	0.5
109.06477	0.5
109.10150	1.6
110.08996	0.3
110.09673	5.1
110.10391	0.4
111.04381	0.3
113.05985	0.4
115.05429	0.3
116.22849	0.3
117.06976	0.5
119.08514	1.0
120.04448	2.4
120.08105	3.7
120.08907	0.6
121.06479	1.2
121.10071	0.8
122.03628	0.6
122.06010	0.6
122.06805	0.5
122.09664	0.4
123.06734	0.3
123.08049	0.6
123.11663	0.7
123.42840	0.2
124.07531	1.0
127.03860	0.9
127.07497	0.5
127.11093	0.3
131.08505	0.3
132.08006	0.4
133.10062	0.6
135.07997	0.3
135.11630	0.8
136.07558	2.6
137.04994	0.4
137.05954	6.3
137.09589	0.3
138.06302	2.0
138.08113	0.5
138.09109	6.9
145.04919	0.4
145.08560	0.8
145.10033	0.7
146.05954	0.4
147.04308	0.3
147.11661	1.3
148.07512	1.2
148.11978	0.8
149.09554	0.3
149.13257	0.5
150.09071	0.7
151.07481	0.5
151.11111	0.3
152.06999	0.8
152.10576	0.5
153.01701	0.5
157.08618	0.3
157.10039	0.5
160.05235	0.3
161.05920	0.5
161.13181	0.3
163.11108	0.4
164.07036	0.6
164.36378	0.3
165.12689	0.4
166.08617	7.7
167.06976	0.9
168.07480	0.3
171.11577	0.3
172.03893	0.3
175.07489	0.6
175.11172	0.5
176.10593	0.4
180.10083	0.6
181.08673	0.4
182.08232	0.3
182.11697	0.5
183.13844	0.4
189.12680	0.3
190.04982	0.3
193.08659	0.3
193.12184	0.3
194.08080	1.0
195.10307	0.3
196.09778	0.6
197.10692	0.5
198.11696	0.3
205.15759	0.3
207.13701	0.4
209.10695	0.7
210.11548	0.3
211.12682	0.3
212.09425	0.4
213.10088	0.4
217.12151	0.8
218.12556	0.5
222.08171	0.3
222.11377	0.4
223.08595	1.0
223.12280	0.8
223.16774	0.3
224.09392	0.8
225.10187	2.1
227.11591	0.5
235.08586	0.9
235.13286	0.7
236.09340	0.9
236.13577	0.9
237.10202	4.3
238.10962	1.1
239.08080	1.2
239.11719	2.1
241.09537	0.5
245.12764	0.4
248.09268	0.8
249.10239	3.4
250.10931	1.8
251.08128	2.8
251.11746	4.3
252.08801	0.5
252.12451	0.7
253.09680	3.1
253.14087	0.8
254.10600	0.4
254.14571	0.8
255.11276	0.5
261.10251	1.9
262.10944	0.8
263.08081	0.5
263.11722	3.0
265.09686	5.7
265.12778	0.4
266.10486	1.1
267.11230	3.8
268.12009	0.4
269.09326	0.3
269.12808	0.8
271.10709	1.4
273.12354	0.4
277.09671	1.3
278.06573	0.5
278.10425	3.2
279.07648	2.5
279.11240	7.5
280.12006	1.6
281.09134	1.9
281.12784	1.6
282.10019	0.6
283.10757	5.2
283.13989	0.6
285.12250	0.5
287.13925	1.4
289.09674	4.2
290.10596	0.4
291.11298	1.6
293.09149	2.0
293.12811	3.1
294.09946	3.8
294.13098	0.5
295.10779	3.2
295.14117	0.5
296.11545	2.2
297.08798	0.5
297.12308	1.1
298.09442	0.4
298.20978	0.3
299.10214	1.2
299.13608	0.3
306.09644	1.2
307.10776	1.7
308.11362	0.8
309.08920	0.4
309.12161	1.7
311.10211	4.7
311.13913	1.8
312.11029	1.5
313.11862	1.5
313.14862	0.3
314.12619	1.3
315.13287	0.4
317.09085	0.7
318.25000	0.4
321.08511	0.4
321.12140	0.4
323.10095	0.7
323.13916	0.8
324.11020	1.4
325.11664	0.8
326.12534	3.6
327.09476	0.4
327.13354	6.8
328.13834	0.4
335.10168	7.1
335.25797	0.4
336.10904	0.5
336.26074	0.7
337.11630	0.7
337.23669	0.8
339.13345	43.6
340.10428	2.2
340.13852	0.4
349.11899	0.3
352.10593	0.9
353.11301	0.6
353.26715	0.4
354.11981	3.3
354.27036	0.6
355.12830	11.4
355.24673	0.5
356.13025	0.3
367.12833	25.6
368.13345	0.5
371.12076	0.4
371.16458	0.3
372.16931	0.4
374.14871	0.4
386.14813	0.6
387.15479	1.0
390.16510	0.3
397.17007	0.3
398.17151	0.8
399.15561	0.6
400.16400	0.5
402.17419	0.3
402.61197	0.3
414.18097	0.3
418.17578	0.6
420.19083	0.3
428.15979	0.3
442.16806	0.3
447.18002	0.3
451.21066	0.8
452.21625	0.3
460.18527	1.2
464.22409	0.3
474.20563	0.3
479.20419	1.7
488.18140	11.2
492.21252	4.3
493.07382	0.3
502.19424	0.4
520.20740	100.0
521.21179	1.8
538.21600	1.2
552.23334	10.3
552.45026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
57.03426	4.0
61.02903	2.4
64.63281	0.9
67.52609	1.0
69.03402	2.9
71.62146	1.6
73.02910	7.9
79.05492	4.8
81.03408	1.7
81.07054	1.6
83.04972	3.7
85.02908	3.1
91.05474	2.9
93.07017	1.5
94.04224	1.1
95.04981	7.0
95.08569	1.7
97.02876	4.0
97.06523	1.6
99.04450	1.8
101.06031	3.7
102.06341	1.3
103.05463	1.0
105.07011	2.4
107.04937	11.5
107.08595	1.4
109.02849	2.4
109.05730	0.9
109.06508	2.7
109.10170	2.0
111.04427	1.2
115.05434	2.1
117.07034	2.7
119.04975	1.7
120.08057	1.2
121.06499	3.0
123.04390	8.8
123.08047	1.6
124.05232	1.2
125.05966	2.3
127.03906	1.6
129.06993	1.4
131.04895	2.9
131.08549	4.5
133.06525	3.2
135.08029	1.2
137.05965	10.5
141.06987	1.2
143.06973	1.0
144.03830	1.0
144.05711	1.8
145.06491	5.7
147.04361	2.4
147.06564	1.1
149.05977	1.6
151.03908	1.6
152.04744	1.2
153.01794	1.4
153.05489	3.3
155.07004	4.4
156.05719	2.8
157.06451	1.8
158.07246	1.5
159.08076	6.4
161.05981	2.6
163.07524	2.3
165.05544	1.0
167.07024	43.4
168.07658	1.5
172.85812	0.9
173.05968	7.8
173.09552	1.4
175.07578	1.8
179.07037	2.2
181.05060	1.6
181.08615	3.5
182.09338	2.0
183.06534	11.3
184.07240	3.4
187.07494	8.9
189.03249	2.3
189.09091	1.8
190.06294	3.2
191.06992	3.0
192.07730	1.7
193.08607	2.7
199.07602	1.1
202.06111	1.3
203.06935	2.0
204.07790	1.6
205.06894	1.3
205.08554	7.0
207.10130	2.1
210.08810	6.0
211.09697	1.0
215.05080	1.1
217.08554	17.8
218.07329	2.0
218.09389	2.4
218.12511	1.6
219.08026	4.0
219.10173	9.1
220.10854	1.6
221.09645	1.3
231.08122	2.3
233.09659	2.4
234.06700	1.3
234.12076	1.2
235.07489	1.8
235.09599	1.6
236.08328	1.6
238.12036	2.9
241.08566	1.9
245.09666	1.0
247.07500	6.7
248.03059	1.0
248.08261	3.8
248.10439	2.9
249.09035	3.7
249.11317	3.0
250.11806	2.0
251.10741	1.1
254.14685	1.5
261.09146	3.2
262.06351	1.0
263.07068	2.5
263.10571	2.0
264.07758	5.7
265.08536	1.4
266.11499	1.9
275.07156	1.4
276.07715	2.7
277.08563	4.2
278.09262	3.5
279.10159	8.0
281.11795	2.6
283.09445	1.2
289.08664	1.8
290.09320	1.4
291.10059	5.2
292.07471	1.1
293.08008	2.9
293.11557	1.3
294.08707	1.8
295.09576	1.9
296.10376	1.7
303.05063	1.1
305.08182	1.1
306.08896	1.7
306.12567	1.5
307.09628	9.1
308.10330	3.0
309.11255	3.6
310.08868	1.2
311.12704	4.4
319.09579	1.5
321.11160	2.2
323.09061	2.8
323.12784	2.5
329.10300	1.9
330.10739	1.8
337.10730	1.5
338.11392	2.3
339.12225	5.3
340.12778	1.1
342.12939	2.0
344.12436	2.7
351.12131	4.5
353.13806	2.3
355.11548	1.4
359.14752	1.5
369.13266	21.4
370.13742	4.1
371.14838	31.0
383.14825	4.0
384.15631	1.8
387.14465	4.7
389.15936	15.9
401.15894	100.0
402.16330	17.2
419.16968	24.0
420.17471	11.8
431.16995	4.0
474.83597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37575	0.4
55.01855	0.9
57.03409	0.6
61.02909	1.2
65.03928	0.7
69.03414	2.6
69.79798	3.6
71.04965	0.8
78.94009	0.5
79.05455	0.7
81.03405	2.9
81.07027	1.6
83.04972	0.6
85.02884	9.2
85.06502	1.6
91.05461	1.2
93.07028	1.2
94.04166	1.3
95.08575	1.0
97.02876	3.1
97.06543	0.7
98.20818	0.7
103.05452	1.3
105.07018	1.0
107.04902	0.5
109.02864	1.7
109.06497	1.5
109.10129	1.1
111.04410	0.8
115.05433	10.1
116.06197	0.4
117.06981	2.9
118.95981	0.5
119.08646	0.6
121.06470	0.8
122.03621	3.3
125.05957	1.7
127.03882	1.8
129.06969	0.6
131.04901	1.8
132.05711	0.5
135.11610	0.5
137.05952	100.0
138.06299	1.1
141.03238	0.5
142.04152	0.7
143.04909	13.5
144.05661	2.2
145.04962	1.7
145.06442	2.0
147.08009	1.0
147.11723	1.0
151.03888	7.7
153.05437	1.6
159.04376	9.7
160.05171	25.5
161.05940	3.1
163.07536	2.1
166.08653	0.6
167.07048	2.0
168.07291	0.8
171.04413	1.4
171.11659	0.6
172.05171	1.4
175.07520	48.9
177.05342	0.6
177.09105	0.6
180.08632	1.2
181.04990	1.0
187.03876	15.9
187.07506	15.6
188.04620	0.6
191.06938	1.1
191.08507	0.6
199.03926	2.4
201.05370	11.1
201.17735	0.5
203.06998	3.0
205.06677	1.0
205.08531	5.2
211.07495	1.6
217.12257	0.6
219.06467	46.1
220.06836	1.1
221.08076	2.2
231.06483	12.3
234.06841	0.6
237.09152	1.0
239.06932	2.5
240.07794	1.0
247.07524	1.3
249.07512	25.4
251.10536	0.9
253.14523	0.6
256.07312	0.9
261.09213	0.6
262.06390	0.6
265.08603	2.3
270.08710	0.9
271.09583	8.6
277.08572	2.0
279.10107	2.0
283.09540	0.6
293.08148	0.7
297.11029	1.2
311.12708	4.7
325.10553	5.1
329.84244	0.5
337.10608	3.3
343.11609	1.2
355.11722	9.7
372.15207	2.2
373.12753	2.6
427.26224	0.6
436.02322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
53.74828	1.6
55.05508	13.0
56.77729	1.6
57.07052	8.1
57.43111	1.7
61.95910	1.6
62.47788	1.8
65.03910	4.4
66.37452	1.9
67.05163	2.2
67.05494	27.5
69.07057	20.8
70.93004	2.1
70.93311	2.2
79.05490	24.6
80.33341	1.8
81.07044	40.8
83.04971	1.8
83.08592	6.4
85.06543	2.0
88.51178	1.8
91.05468	41.7
93.06465	3.9
93.07027	60.3
93.07617	3.6
95.04957	6.6
95.08044	3.3
95.08596	41.7
97.10160	2.6
101.35541	1.7
103.05463	3.3
105.07017	68.7
107.08581	53.8
109.06499	2.0
109.10140	41.5
115.05391	2.9
117.06988	15.9
119.08562	100.0
121.10123	49.7
122.87534	1.9
123.11703	14.4
128.06201	7.3
129.06998	10.3
129.07780	1.7
130.07764	7.7
131.08549	29.4
133.10114	56.7
135.11674	35.3
137.09598	3.2
137.13242	2.5
141.06937	4.3
142.07780	14.3
143.08530	20.5
144.09282	8.6
145.10103	64.6
145.11269	3.3
147.11659	18.5
149.09572	2.9
149.13321	4.4
150.72141	1.9
153.06931	2.2
154.07796	3.2
155.08549	9.0
156.09360	10.0
157.10104	36.3
158.10898	6.6
159.11688	31.8
161.13237	11.6
163.11159	3.3
165.06935	2.2
166.07758	3.1
167.08566	4.9
168.09308	6.0
169.10112	17.7
170.10915	4.8
171.11691	20.4
172.12360	1.9
173.13229	19.9
175.14803	32.1
177.16388	2.4
179.08513	4.8
181.10133	8.9
182.10878	5.7
183.11671	17.1
184.12274	2.7
185.13199	15.8
186.13947	1.7
187.14751	16.5
188.09029	1.9
189.16302	2.6
192.09308	2.2
193.10071	7.4
194.10844	5.4
195.11655	12.1
196.12399	4.5
197.13229	17.0
198.13892	3.2
199.14812	7.2
201.16330	12.2
206.10875	3.0
207.11653	6.4
208.12436	4.1
209.13208	14.8
211.14716	10.8
213.16397	5.1
215.17957	2.3
217.15727	2.9
219.11765	4.2
219.17519	2.4
220.12462	4.4
221.13274	6.5
223.14734	9.4
225.16341	4.6
233.13148	5.6
234.14116	2.1
235.14769	5.2
236.15385	2.1
237.16376	5.7
239.17819	3.5
247.14792	3.4
249.16386	4.0
251.17877	2.2
253.19469	4.9
257.19119	2.6
261.16455	3.0
263.17932	2.4
267.21008	3.9
275.17899	3.2
277.19501	3.5
279.17728	1.9
279.20993	4.0
283.20477	3.2
285.21976	4.6
291.20975	2.2
319.24231	2.3
333.25739	2.5
345.25775	4.1
411.30026	2.6
429.31342	2.7
493.91891	1.9
495.36389	2.3
533.41217	2.4
551.42346	35.1
551.50275	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.6
55.05500	10.4
57.07066	5.9
59.04971	1.0
65.03911	2.8
65.35632	0.7
67.05492	23.0
69.03406	0.9
69.06712	1.3
69.07056	18.1
71.53929	0.9
71.54269	1.6
79.05053	1.5
79.05478	18.8
81.07039	36.3
83.08605	9.3
85.06537	2.2
91.05463	33.3
93.07022	48.3
95.04951	6.8
95.08588	42.5
97.06484	1.4
97.10153	1.8
103.05453	3.0
103.82656	0.8
105.07010	70.8
106.07886	0.8
107.08571	51.4
108.08845	0.9
109.06492	2.3
109.10136	39.9
111.08112	1.0
115.05434	3.3
117.07003	14.9
119.08555	100.0
120.08838	0.8
121.10115	47.1
123.08041	3.2
123.11676	12.7
125.09631	1.4
128.06204	5.5
129.06972	9.1
130.07777	6.9
131.08546	32.0
132.09076	1.3
133.10104	56.5
134.10809	0.7
135.08031	1.1
135.11668	34.0
137.09618	3.7
137.13232	1.7
139.11172	1.8
141.06921	4.3
142.07755	13.6
143.08537	24.8
144.09323	6.6
145.10092	61.9
146.10587	1.1
147.11647	19.3
149.09633	2.6
149.13249	6.4
153.06952	2.2
155.08492	10.0
156.09303	9.8
157.10098	35.5
158.10898	5.7
159.11662	34.4
160.12288	1.8
161.09561	1.0
161.13219	11.0
163.11183	2.6
163.14809	1.1
165.06969	2.2
167.08501	4.5
168.09309	3.8
169.10092	15.5
170.10875	4.6
171.11661	22.2
172.12383	2.7
173.13232	21.7
174.13475	0.9
175.11157	1.2
175.14795	32.9
177.12747	1.2
179.08531	3.2
180.09285	3.4
181.10092	9.5
182.10873	5.0
183.11646	14.1
184.12372	1.2
185.13220	13.0
186.13979	1.2
187.14784	9.9
189.12700	1.0
189.16359	2.7
191.14182	0.9
192.09300	1.6
193.10094	5.3
193.15852	1.6
194.10896	3.9
195.11641	10.9
196.12354	4.0
197.13228	19.2
198.13971	0.9
199.14761	7.5
201.16353	12.6
203.14223	1.8
205.15744	1.0
206.10890	2.3
207.11626	7.0
208.12393	3.2
209.13210	13.2
210.13896	1.8
211.14774	10.8
212.15520	1.6
213.16301	5.4
215.14378	0.9
215.17908	2.1
218.10844	1.2
219.11588	2.2
219.17365	4.6
219.45575	0.9
220.12550	1.8
221.13251	5.6
222.13921	1.8
223.14799	8.8
224.15457	1.6
225.16373	4.9
227.17874	1.9
228.14896	0.8
229.19667	0.8
231.11653	2.4
231.17397	1.1
232.12462	1.2
233.13208	3.5
234.14018	2.1
235.14743	5.5
236.15530	1.1
237.16299	3.5
238.16972	0.9
239.17958	3.4
241.19482	4.0
246.13896	1.2
247.14787	2.8
248.15474	1.1
249.16415	3.6
250.16934	0.9
251.17880	2.0
253.19485	3.5
257.18918	1.5
259.14816	1.5
259.20499	1.5
260.15582	0.8
261.16440	2.8
263.18005	2.6
265.19476	3.2
267.21069	3.6
271.20502	1.7
273.16452	1.7
275.17999	2.0
277.19498	3.1
279.20975	2.8
281.22491	0.9
283.20612	1.4
285.22095	4.6
287.17679	1.1
289.19403	2.0
291.21078	1.9
293.22577	1.1
294.72488	0.9
297.22308	1.0
299.17783	1.0
301.19571	1.3
303.20969	1.4
305.22513	1.1
309.22021	1.5
313.19003	1.1
319.24182	1.1
329.22519	1.7
333.25864	1.4
343.24280	1.4
345.25739	3.7
383.02359	1.0
383.27307	0.9
391.29742	1.0
397.28842	1.0
411.30200	1.1
429.31406	2.0
440.36313	0.8
459.35880	2.5
471.35971	0.8
495.35971	3.2
533.41431	3.7
551.29071	1.3
551.42346	34.3
552.42969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76493	2.1
53.03933	4.0
55.01859	3.2
55.05503	12.2
57.03413	4.7
57.07063	5.7
58.28332	2.1
66.98705	1.9
67.05495	19.9
69.03418	9.6
69.07056	22.7
71.04985	19.5
71.08597	2.5
71.62495	2.9
73.02903	4.3
73.06547	2.9
79.05491	18.9
81.03398	7.1
81.07049	79.5
83.04980	10.2
83.08601	8.6
85.02905	11.0
85.06533	23.7
87.09212	2.9
88.39118	1.8
90.87771	2.0
91.05455	19.2
92.25942	2.0
93.06459	3.8
93.07035	57.0
95.04962	11.5
95.08594	45.1
97.02858	5.1
97.06512	14.9
97.10151	5.3
99.04445	8.5
99.08089	12.3
101.05991	4.2
103.05448	7.8
105.07017	33.9
107.04951	6.2
107.08582	57.9
108.52951	1.9
109.02882	5.7
109.06525	14.7
109.10146	54.2
110.10491	2.5
111.08047	6.8
111.11717	4.1
113.06030	2.4
113.09679	2.6
115.03955	2.1
115.05442	2.5
115.07561	6.1
117.06988	3.7
119.08560	31.4
121.06504	15.0
121.10131	45.7
123.04400	8.0
123.08063	7.8
123.11688	36.2
125.06003	3.4
125.09597	6.4
127.03907	8.7
127.07535	10.8
127.11207	10.1
129.07008	5.5
131.04921	11.3
131.08546	8.5
133.06509	3.8
133.10109	34.2
135.08035	7.2
135.11673	43.6
137.05966	39.5
137.09610	6.7
137.13228	11.3
139.07494	6.6
139.11166	4.8
141.12747	4.3
143.08537	3.5
145.04962	2.6
145.06404	2.9
145.10083	14.1
147.04391	3.7
147.08000	4.2
147.11681	31.1
149.05956	4.8
149.09615	8.8
149.13260	15.1
151.03893	4.9
151.07494	11.8
151.11171	24.0
153.01828	10.3
153.09065	4.7
153.12741	22.6
155.08492	2.2
155.10623	2.1
157.08521	2.1
157.10158	7.4
159.11641	14.7
161.05957	6.7
161.09637	3.7
161.13229	10.4
163.07565	11.5
163.11168	9.8
163.14792	5.6
165.05444	5.0
165.09196	3.8
165.12708	12.8
167.07030	59.8
167.10692	9.0
169.10117	4.6
169.12248	3.3
171.11636	5.2
171.13797	8.3
173.13219	7.6
175.07559	8.3
175.11148	5.8
175.14810	7.8
177.05455	5.2
177.09171	2.2
177.12695	10.1
177.16351	3.4
179.10654	7.6
181.04922	5.0
181.08592	2.5
181.12184	10.2
183.06544	2.6
183.10153	2.6
185.13316	3.0
187.07532	6.9
187.11212	2.4
187.14734	4.8
189.09084	5.1
189.12724	4.2
189.16391	6.8
191.07005	4.7
191.18039	4.3
193.08635	3.4
193.12271	9.2
195.13795	7.3
199.13217	2.6
201.16399	7.6
203.17908	13.2
204.18300	5.5
205.08507	2.9
207.06516	4.2
207.13774	4.4
211.09549	2.3
211.13216	4.0
213.16351	6.0
215.12735	5.6
217.12227	4.0
217.15807	4.3
219.17395	3.3
221.19060	3.8
223.16953	2.9
229.14185	3.0
231.17377	2.9
235.13292	5.6
235.16856	9.2
239.20062	4.5
241.17844	2.5
243.17502	2.9
247.20630	2.8
249.18469	10.5
253.14337	4.7
253.17963	7.5
261.18430	8.9
264.07928	2.4
271.09747	3.7
271.23938	2.9
279.19470	17.7
281.22519	3.1
289.25165	2.6
297.20502	17.5
299.23703	10.6
317.21072	3.4
317.24728	54.1
318.24945	2.9
335.25769	100.0
335.29834	4.8
336.25891	2.9
341.13870	7.1
353.26804	71.5
371.14642	3.9
371.28030	10.1
379.15704	2.7
389.28806	9.0
551.23730	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	551.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.5
55.05503	9.2
57.07062	3.4
65.03926	1.9
67.05501	14.7
69.03435	3.8
69.07056	16.0
70.50959	2.4
71.04984	11.4
79.05473	12.2
81.03405	2.5
81.07046	68.7
83.04974	5.4
83.08610	4.8
85.02892	4.8
85.06538	11.1
91.05463	12.2
93.07029	32.2
95.04945	4.8
95.08595	36.2
97.06510	7.9
97.10122	2.4
97.68554	1.4
99.04433	10.4
99.08070	3.7
101.32088	1.5
103.05410	3.5
105.07008	22.2
105.07657	1.8
107.04948	4.4
107.08575	37.2
107.09283	2.5
109.02887	2.4
109.06497	17.5
109.10139	32.8
111.08069	4.8
115.07592	1.8
117.07045	2.3
119.08565	17.8
121.06491	4.3
121.10120	23.3
123.08058	10.1
123.11697	26.6
125.09616	3.3
127.03896	2.2
127.07536	10.0
127.11185	4.3
131.04919	3.7
131.08551	5.6
133.06500	2.0
133.10104	27.2
135.08020	4.6
135.11667	23.1
137.05968	18.3
137.09584	4.4
137.13222	18.9
139.11176	2.1
141.12738	2.2
143.08560	2.6
145.10089	12.6
147.08044	1.9
147.11665	33.6
149.09618	7.6
149.13235	9.5
151.07550	4.3
151.09933	3.0
151.11160	46.7
153.01852	8.9
153.12746	8.5
157.10118	2.2
159.07964	1.8
159.11670	14.2
161.05974	2.1
161.09579	2.5
161.13254	4.6
163.07495	5.5
163.11139	8.9
163.14835	4.3
165.12726	10.5
167.07022	12.3
167.10643	3.0
169.10136	2.8
169.12222	8.3
171.11714	2.3
171.13754	3.8
173.13239	6.1
175.07574	2.3
175.11157	4.4
175.14786	2.6
177.12743	6.7
177.16367	3.2
179.10622	11.4
179.14238	1.6
181.04897	2.4
181.12206	2.8
183.11749	2.5
183.13696	3.4
185.13181	1.7
187.07484	2.1
189.09041	1.7
189.12712	2.7
191.17885	2.8
193.12216	6.6
195.13763	3.5
199.14812	2.9
201.12788	1.7
201.14694	3.2
201.16333	7.5
203.17973	4.4
213.16362	6.5
215.12709	13.0
215.17923	3.6
219.17297	2.2
225.16444	4.5
229.14336	4.1
229.19403	1.8
231.17429	3.4
233.18832	2.5
235.16896	1.8
237.18376	2.9
237.22192	2.1
243.08704	4.9
243.17427	9.0
247.20610	4.6
249.18327	2.9
261.18484	29.2
267.19562	1.9
279.19553	17.5
281.22900	3.0
289.25317	2.4
297.20547	63.8
298.20908	2.0
299.23630	7.8
307.26013	1.5
317.24716	44.0
335.25745	100.0
336.26010	1.9
341.13678	1.9
353.26834	49.9
354.69308	1.5
371.27789	3.0
459.40454	1.6
522.18842	1.7
551.22742	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15598	1.6
53.03940	4.4
55.01855	3.3
55.05502	9.0
57.03427	5.3
57.07076	2.5
58.70921	1.3
59.04989	1.7
61.02913	1.8
63.57917	1.3
65.03934	2.0
65.49231	1.3
66.04728	1.5
67.05490	17.8
69.03419	7.4
69.07056	21.6
69.66903	1.5
70.06573	1.3
71.04984	19.9
73.02959	1.8
76.52715	1.2
79.05484	18.1
81.03402	9.4
81.06567	2.9
81.07043	58.8
82.75800	1.3
83.04956	7.2
83.08607	5.0
85.02892	20.2
85.06525	14.7
87.04486	2.9
91.05469	14.9
93.07030	39.9
94.04147	3.0
94.06553	2.1
95.04967	9.6
95.08589	35.4
95.09153	2.6
96.08151	2.7
97.02875	4.6
97.06505	12.6
97.10174	2.2
99.04445	9.3
99.08086	6.1
101.06004	3.6
103.05434	3.8
105.07013	29.2
106.13139	1.5
107.04946	5.8
107.08577	42.5
107.09287	2.9
108.08132	3.0
109.02875	7.1
109.06498	10.2
109.10140	43.9
110.09663	4.2
110.52791	1.5
111.04419	2.8
111.08064	6.0
111.11707	3.3
113.05997	3.4
115.05446	2.6
115.07554	1.6
117.06995	4.2
119.04938	3.4
119.08554	24.8
120.04454	1.8
120.08067	3.7
121.06487	13.5
121.10124	23.7
122.03589	8.1
123.04444	3.3
123.08056	5.4
123.11677	23.5
125.05986	5.6
125.09625	4.9
127.03914	5.9
127.07527	6.4
127.11147	6.9
129.05469	4.6
129.06915	2.5
131.04903	6.4
131.08574	6.7
133.06480	4.1
133.10103	21.0
135.04362	2.3
135.08055	5.9
135.11662	30.8
137.05954	100.0
137.09578	4.6
137.13210	4.4
138.06343	3.1
138.09111	10.1
139.07501	4.5
139.11165	5.2
143.08554	3.4
145.06526	2.8
145.08582	3.7
145.10094	8.7
147.04373	5.1
147.08058	4.2
147.11662	33.6
148.07545	1.8
149.06000	5.3
149.09608	3.7
149.13243	10.3
151.03859	3.3
151.07515	11.5
151.11151	16.0
153.01802	7.7
153.05463	3.4
153.12732	28.9
155.08426	1.8
157.06416	1.7
157.08618	3.0
157.10123	7.0
159.04427	1.7
159.07961	2.7
159.11681	5.4
161.05925	8.8
161.09607	2.6
161.13255	6.9
162.05490	2.4
163.03911	2.3
163.06049	1.4
163.07529	5.2
163.11162	5.1
163.14798	4.7
165.05426	2.5
165.09077	2.4
165.12759	23.8
166.08603	11.5
167.07027	24.1
167.10660	3.7
169.10112	2.2
169.12161	2.7
171.06815	1.5
171.11632	3.4
171.13773	26.1
173.05954	1.8
173.13286	3.2
175.07516	5.3
175.11113	10.2
175.14803	4.9
177.05412	4.2
177.08958	2.7
177.12802	2.2
177.16342	4.3
179.07004	4.9
179.08398	1.8
179.10654	3.5
181.04941	5.8
181.08563	4.7
181.12213	5.1
183.13776	12.1
187.05869	1.9
187.07458	3.9
187.11140	1.7
189.09111	2.3
189.12717	5.0
189.16316	2.6
191.07013	4.7
191.14255	2.5
191.18016	2.6
193.04910	2.2
193.08621	4.5
193.12206	16.2
195.10143	4.8
195.13770	3.7
197.08051	2.2
199.11110	2.8
201.16322	2.7
203.17920	10.6
204.18250	1.8
205.12387	1.9
207.06512	4.3
207.10106	2.7
207.13852	4.5
209.08049	3.1
211.13297	7.2
213.16423	3.6
213.68683	1.7
217.08632	3.4
217.12166	9.5
219.10190	3.2
221.08104	4.5
221.18958	3.6
222.67856	1.6
223.13063	1.9
225.10088	2.2
229.14343	10.0
235.13245	14.7
235.16901	2.2
237.10234	5.5
239.11760	1.7
239.19946	2.5
247.07405	2.0
249.10219	4.3
249.18495	2.9
251.08136	2.8
251.11967	4.5
253.10023	3.8
253.14340	11.6
253.17984	1.5
255.11142	2.0
261.18420	4.9
263.11786	3.0
265.09555	6.3
265.17557	1.6
267.11166	4.4
277.09259	2.2
279.07480	4.0
279.11081	7.7
279.19543	3.8
280.12088	2.6
281.08936	1.9
281.22574	2.5
283.10571	4.5
285.12506	1.7
289.09601	4.0
291.10559	3.5
293.12762	4.8
294.09802	4.6
295.10226	3.4
297.20529	13.2
299.10104	1.5
299.23697	4.3
307.09818	4.2
308.10870	2.0
311.10120	6.6
313.11313	1.7
317.24698	36.3
324.10641	2.1
326.12589	4.7
327.13220	6.8
335.10104	4.3
335.25769	62.7
335.29803	3.3
336.25989	2.2
339.13318	44.6
340.10358	2.1
341.13831	2.4
343.11694	2.6
351.12219	5.1
353.10196	1.7
353.26794	28.8
354.12006	3.1
355.12851	12.1
365.13702	2.2
367.12756	28.4
371.15051	2.8
371.27838	15.5
375.14328	4.3
385.16803	1.8
387.15036	2.2
389.15976	4.1
389.28894	2.4
397.16547	6.6
401.15961	2.2
479.20486	2.4
488.18045	11.4
492.21454	4.6
520.20758	91.2
521.20190	2.5
533.21014	3.3
551.20203	6.6
551.29974	3.5
552.23590	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	551.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01849	1.5
55.05504	5.8
57.03418	2.1
57.07065	4.2
59.05004	1.1
61.02917	2.0
63.29404	1.0
65.03925	1.0
67.05492	10.8
69.03408	4.2
69.07063	18.6
71.04977	3.4
71.62410	1.7
73.02905	3.8
79.05489	7.4
81.03404	3.2
81.07047	33.6
82.22136	1.0
83.04980	2.3
83.08606	5.8
85.02893	10.3
85.06529	10.8
91.05463	6.5
93.07034	15.5
95.04957	4.3
95.08595	35.0
97.02888	5.1
97.06523	3.9
97.10163	7.2
99.04442	2.4
99.08085	2.2
101.06014	1.0
103.05431	1.7
105.07013	14.2
107.04952	1.9
107.08584	20.0
109.02873	3.1
109.06521	2.2
109.10146	39.0
111.04485	1.1
111.08069	3.3
111.11703	6.7
115.03036	0.9
115.03911	2.7
117.07032	1.8
119.08565	9.9
121.06478	3.0
121.10135	13.1
123.08080	2.0
123.11687	17.0
125.05979	2.2
125.09601	1.6
127.03886	4.0
127.11173	2.5
131.04965	1.1
131.08563	2.8
133.04971	2.3
133.06514	1.3
133.10126	13.5
135.08022	2.4
135.11673	9.8
137.05965	10.5
137.09592	2.2
137.13199	8.0
139.07584	2.4
139.11137	2.5
145.04941	3.4
145.10089	3.8
147.04411	1.2
147.11678	15.9
149.09546	1.9
149.13243	3.4
151.03844	1.3
151.07542	3.8
151.11171	3.5
153.01773	5.9
153.05405	1.2
153.12753	3.9
159.11671	1.5
161.05980	2.1
161.13272	5.1
163.05997	3.0
163.07428	1.8
163.11221	2.5
163.14787	4.3
165.09067	1.1
165.12738	3.4
167.07027	13.6
167.10745	1.0
171.13788	4.2
173.05922	1.1
173.09668	1.6
175.07576	3.5
175.11147	2.7
175.14825	2.0
177.09123	1.7
177.16397	1.6
181.05090	2.0
181.12271	1.8
182.20363	1.1
185.11815	1.1
189.09135	1.2
189.12737	1.2
189.16383	1.8
191.06943	1.1
191.10641	1.9
191.17921	1.3
193.08620	1.5
193.12245	3.4
193.19510	3.3
201.16444	1.5
203.17938	47.2
204.18254	5.6
209.04388	1.2
209.11613	1.2
217.12158	2.6
219.17305	1.3
221.18979	100.0
222.19223	2.0
229.14378	2.0
235.13220	2.3
239.20068	1.4
253.14415	2.6
257.07950	2.6
263.20120	1.4
279.19531	3.6
295.10208	1.2
297.20459	2.6
303.09268	1.0
317.24716	4.9
327.12033	1.1
328.64169	1.2
335.22049	2.6
335.25644	12.0
341.13617	1.7
353.26736	8.4
371.14774	1.3
371.27841	2.4
519.20642	1.1
551.21399	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71662	2.7
53.03928	6.5
53.87069	2.4
55.01859	10.0
55.05498	16.0
57.03431	6.8
57.33032	2.5
61.02914	3.0
67.05500	14.9
69.03418	27.2
69.07054	15.7
69.39310	25.6
71.04981	22.6
73.02906	3.5
79.05476	32.3
81.03407	27.8
81.07040	61.8
83.04961	25.8
85.02884	30.0
85.06524	17.7
89.06957	2.7
91.05474	24.6
93.07025	63.3
95.04936	25.3
95.08595	32.3
97.02860	18.3
97.06522	27.0
98.20820	6.0
99.04445	19.7
99.08104	6.4
101.05986	13.1
103.05445	8.3
105.07018	55.0
107.04929	10.9
107.08576	59.9
109.02852	26.5
109.06510	31.1
109.10130	29.6
110.96463	2.5
111.04404	4.2
111.08069	15.1
113.05974	5.6
115.05405	6.6
117.06992	6.6
119.04960	3.4
119.08569	38.3
121.06487	66.7
121.10115	27.6
122.03660	4.8
123.04455	5.5
123.08049	9.7
123.10876	2.8
123.11645	14.3
125.05969	9.8
125.09628	8.4
127.03895	25.3
127.07520	15.1
127.11151	4.4
128.06227	4.0
129.05478	4.5
129.06973	13.4
131.04900	7.0
131.08524	13.0
133.06470	9.4
133.10129	19.9
135.04413	7.9
135.08060	15.3
135.11674	19.8
137.05952	57.5
137.09618	8.0
139.07520	15.7
141.06891	3.3
142.07788	4.9
143.06952	6.1
143.08554	11.3
145.06514	3.8
145.08577	6.8
145.10098	20.5
146.08997	3.0
147.04385	4.3
147.08044	7.3
147.11661	81.2
147.12772	5.4
149.05943	8.0
149.13266	3.6
151.03871	8.3
151.07523	13.6
151.11186	6.1
153.01770	13.7
153.09137	4.3
153.12752	8.8
155.08580	5.6
157.06496	6.8
157.08850	5.1
157.10095	25.4
159.08073	4.2
159.11708	8.5
160.05194	6.5
161.05951	10.9
161.09573	6.7
161.13222	11.1
163.03926	3.7
163.07523	8.1
163.11160	7.9
165.05434	3.3
165.09081	3.4
165.12747	23.8
167.07021	45.5
167.10637	3.3
171.11636	22.2
171.13806	5.7
173.09602	7.4
173.13257	5.2
175.07568	12.9
175.11131	35.3
175.14813	7.2
177.05426	12.6
177.16342	3.0
181.04948	11.9
187.06000	10.8
187.07472	5.8
187.11124	3.9
189.09058	9.4
189.12788	28.3
189.16368	12.0
191.10658	5.3
191.14345	3.2
191.17863	3.7
193.08571	5.7
193.12181	22.7
199.11166	23.9
199.14845	3.2
201.09029	3.0
203.10670	3.3
205.06937	5.5
205.12257	2.9
207.06551	3.6
207.13811	22.0
209.08052	6.7
211.07370	3.0
211.13191	16.9
212.08157	3.6
215.10757	5.0
217.08797	6.0
217.12213	72.3
217.15839	12.1
219.06468	11.2
221.18887	2.9
227.09024	3.1
229.14340	4.5
235.09744	4.1
235.13248	100.0
235.16743	15.7
237.14967	3.0
249.07417	4.2
251.12737	4.8
253.14314	88.2
253.17970	14.4
271.15552	3.4
277.08441	3.6
297.15103	3.3
297.20624	4.1
305.12189	5.1
317.24884	5.0
321.11282	5.3
325.14355	3.3
335.25641	16.2
343.15320	5.3
353.26657	8.1
361.16370	6.9
371.14789	47.2
371.27921	4.4
372.15399	3.2
379.17465	9.1
397.18350	9.6
519.16943	2.9
551.20355	8.6
551.30182	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	551.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
54.09222	1.3
54.48410	1.6
55.01864	6.6
55.05510	11.0
57.03425	2.7
59.43781	1.5
61.02912	2.0
65.03922	2.2
67.05482	11.0
69.03413	16.3
69.07066	9.7
71.04978	12.7
71.29250	4.0
73.02921	1.6
79.05479	23.5
81.03405	22.5
81.07044	39.5
83.04970	25.8
83.08610	2.9
85.02892	18.1
85.06516	8.3
91.05467	20.7
93.07032	44.9
95.04956	13.1
95.08592	18.6
97.02888	12.3
97.06512	20.4
99.04446	19.3
101.06005	13.7
103.05427	5.4
105.07014	33.8
107.04942	9.8
107.08578	27.9
109.02867	20.8
109.06496	25.1
109.10129	8.2
109.97234	1.7
111.04438	5.1
111.08084	2.9
113.05960	3.4
115.05441	5.0
117.07000	5.6
119.04930	3.6
119.08573	26.7
121.06490	49.9
121.10112	11.4
122.03626	3.3
122.10488	1.5
123.04400	3.4
123.08079	6.1
123.11694	4.7
125.05984	10.5
127.03909	26.5
127.07531	10.6
129.05527	2.0
129.06998	6.5
131.04915	7.8
131.08543	9.2
133.06488	6.1
133.10114	12.9
133.67831	1.9
135.04405	4.2
135.08026	14.5
135.11642	4.1
137.05959	58.2
137.08122	5.0
137.09579	3.8
137.13242	2.3
139.07507	12.5
141.06932	1.7
142.07768	3.9
143.04903	4.0
143.07031	5.8
143.08560	12.5
144.05721	2.4
145.04900	3.4
145.06462	3.8
145.10109	13.2
147.04419	7.2
147.08014	5.3
147.11658	53.2
149.05957	4.4
149.09644	2.9
149.13242	3.2
151.03891	7.9
151.07521	7.4
151.11104	1.8
153.01773	9.9
153.05418	4.9
153.09079	3.7
155.08484	2.3
156.09337	3.3
157.06505	1.9
157.10120	17.4
159.04370	2.8
159.08038	5.9
159.11674	3.8
159.38960	1.6
160.05188	6.3
161.05983	9.8
161.09576	3.5
161.13242	9.8
163.07510	13.2
163.11111	2.1
165.09094	2.8
165.12747	19.9
167.07040	19.8
171.08034	1.7
171.11674	21.1
171.13820	1.6
173.05997	2.1
173.09665	7.5
173.13293	3.0
175.07529	26.1
175.11165	30.3
176.89642	1.8
177.05490	5.4
177.09059	1.8
177.12701	3.2
181.04941	4.3
181.08617	2.7
181.10162	2.9
184.08833	1.8
187.03786	3.6
187.05975	6.9
187.07576	7.3
187.11212	2.6
189.09087	6.3
189.12718	22.6
191.07050	3.9
191.14282	3.9
193.08524	2.8
193.12244	16.1
199.11136	23.1
201.05463	3.4
201.09074	2.5
203.06926	2.2
205.07028	5.4
205.08679	2.6
205.12370	2.1
207.06491	3.5
207.13721	18.4
209.15373	4.3
211.07538	3.3
211.13239	10.9
213.09117	2.1
215.10678	2.3
217.12212	60.9
219.06374	12.0
219.10083	3.7
219.13707	2.5
229.14352	4.4
231.06473	3.4
233.11671	2.1
235.13269	100.0
237.14819	1.8
240.07567	2.0
248.08362	2.2
249.07652	6.7
253.14331	71.8
271.09662	3.0
271.15338	4.2
277.08563	2.0
303.04932	2.0
305.12149	3.9
307.13263	2.2
311.12543	2.0
313.10864	2.1
323.13232	1.9
325.14255	2.4
327.12125	3.3
335.25769	3.9
337.10620	2.7
343.15427	4.1
349.14124	2.2
353.27103	2.1
355.11703	3.8
361.16342	6.4
371.14951	8.0
379.17505	9.7
397.18298	7.5
415.19730	2.2
551.20898	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	551.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17266	0.4
55.01860	0.7
68.20271	0.4
69.03415	0.9
69.07053	0.7
70.06556	0.6
71.61694	0.6
81.03405	0.8
81.07030	0.6
85.02908	1.5
91.05475	0.6
94.06544	2.8
95.04960	0.7
97.02887	0.6
97.06480	0.4
99.04405	0.5
105.07003	0.7
109.02867	0.6
113.06034	0.5
121.10139	0.4
131.04868	0.5
133.06544	0.4
136.07629	0.5
137.05981	1.2
146.06029	0.8
147.04381	0.5
148.07579	0.6
151.03862	4.2
151.07607	0.4
153.01816	1.3
160.03957	0.6
161.05917	0.9
163.07408	0.5
164.07097	0.5
167.07024	0.7
168.06535	0.4
170.49886	0.4
174.05537	0.4
179.06989	0.9
181.08577	1.5
184.11244	0.5
189.09004	0.8
193.08698	0.5
196.11285	0.4
197.10744	1.1
198.07831	0.6
198.11543	0.7
199.08595	2.8
199.12302	0.6
204.06531	0.8
211.08549	5.4
211.12444	0.4
212.09323	3.4
213.06651	0.5
213.10197	6.6
214.07248	1.0
214.10979	1.3
215.11937	0.5
224.09279	0.9
225.10138	10.0
226.07318	6.0
226.10750	3.2
227.08141	6.4
227.11649	4.6
227.13576	0.4
229.09763	0.6
237.10220	1.2
238.55013	0.4
239.08131	1.0
239.11722	4.1
240.08875	1.6
240.12523	4.4
241.09671	7.6
241.13300	1.4
242.10385	3.7
242.14099	0.6
243.11230	0.8
244.11998	0.5
245.12828	0.8
247.41670	0.4
249.10274	0.6
251.11821	0.8
252.12585	0.7
253.09671	7.1
254.10385	2.6
255.11261	9.6
256.12006	0.4
257.12817	13.1
265.09811	0.8
267.08243	0.8
267.11206	7.8
268.08691	0.7
268.11981	8.2
269.09177	1.1
269.12741	2.3
271.10757	1.7
272.11414	0.8
273.09735	0.4
273.12311	2.4
279.11224	1.0
280.12064	1.3
281.09174	1.9
282.10083	0.7
283.10745	1.3
284.11496	0.9
285.09137	0.6
285.12207	2.7
286.09802	0.5
286.13150	1.1
287.13879	0.7
290.12711	0.5
291.13480	0.6
293.09628	0.5
295.10754	5.9
296.11493	7.5
297.08984	0.6
297.12274	3.7
298.09341	1.2
298.13126	0.8
299.10248	1.4
300.11060	0.9
301.11600	1.1
307.10770	0.6
309.08664	0.4
313.11749	16.7
314.12521	11.8
315.13373	1.1
323.10181	0.9
324.10971	0.9
325.11581	0.6
327.13257	1.0
340.10300	0.8
341.11328	2.2
342.12006	9.0
343.12946	1.5
350.08801	1.0
353.11356	0.6
355.12961	1.6
367.12720	0.8
371.15128	1.1
371.19495	0.6
373.13864	3.8
374.14285	4.2
379.12741	1.1
385.13995	0.9
389.13358	1.4
389.20529	3.3
401.13367	1.0
403.10870	4.4
403.15192	1.1
409.13828	2.1
417.12213	0.6
417.17062	1.0
419.14624	2.0
427.14966	1.5
431.14548	1.5
435.17496	1.3
445.16083	12.7
457.15900	1.8
459.14249	0.5
463.17639	2.7
473.15479	11.3
475.17096	4.4
477.15131	1.2
491.16534	45.1
492.17325	0.8
501.14951	3.0
519.16034	50.8
520.16510	0.6
523.18921	0.7
533.17664	1.9
551.18616	100.0
552.18945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43554	1.3
53.03959	1.2
55.01870	2.4
55.05509	7.3
57.03421	3.5
57.07067	3.8
59.04990	4.5
59.07350	1.1
60.08156	5.0
60.83443	1.1
61.02910	2.0
66.53870	1.1
67.05493	12.8
69.03423	8.1
69.07058	33.5
69.18588	0.9
69.70232	7.6
71.04987	4.1
71.08607	1.4
73.02905	3.4
79.05480	8.9
81.03406	3.0
81.07049	54.2
83.04974	4.0
83.08595	8.1
85.02894	11.5
85.06531	9.1
86.09696	23.1
87.04474	1.4
91.05469	7.9
93.07031	25.6
94.07394	1.4
95.04948	5.8
95.08598	37.4
97.02890	6.1
97.06506	9.4
97.10198	2.0
98.20770	1.9
99.04437	5.4
99.08076	3.6
101.06036	1.1
104.10751	8.1
105.07024	19.8
107.04949	1.2
107.07851	2.0
107.08580	41.0
109.02876	1.3
109.06491	9.7
109.10142	44.8
111.08072	4.9
111.11713	17.2
113.09628	1.8
114.43343	0.9
115.03918	2.2
115.07591	1.3
117.07011	1.5
119.05045	0.9
119.08565	12.5
121.06508	1.7
121.10129	25.2
123.08064	4.3
123.11696	24.4
125.00001	14.4
125.09615	4.5
125.13274	2.1
127.03902	3.3
127.07589	5.5
127.11193	3.4
127.49980	1.0
131.08585	2.2
133.04929	2.0
133.10112	20.0
135.08054	1.5
135.11676	17.1
137.05948	4.9
137.09566	4.9
137.13240	6.6
139.07532	3.1
139.11176	2.9
145.04973	3.2
145.10086	5.4
147.04417	2.2
147.11674	25.9
149.06044	1.5
149.09633	8.6
149.13248	3.4
151.07594	1.4
151.09946	2.0
151.11163	36.3
151.12337	2.1
151.14801	7.5
153.12727	49.3
157.08662	1.6
157.10115	1.4
159.11668	5.1
161.09680	1.8
161.13222	6.0
163.07555	1.5
163.11159	4.0
163.14792	9.9
165.09148	1.0
165.12717	14.2
167.07007	5.0
167.10632	13.5
167.14217	1.0
169.12251	6.0
169.15854	27.2
169.17195	2.0
171.11636	1.4
171.13742	5.0
173.13205	1.0
175.11198	2.3
175.14786	2.9
177.16321	6.4
179.07028	1.4
179.10674	6.8
180.24982	1.1
181.12245	4.8
181.15829	16.0
183.13814	5.3
184.07321	71.8
185.11723	12.4
185.13196	1.7
187.14722	1.4
187.16902	1.1
189.16495	2.1
191.10696	2.0
191.17938	1.2
193.12245	2.2
195.13750	1.2
201.16444	1.5
203.17929	16.1
207.13898	2.1
215.12802	7.3
215.18079	1.3
221.18961	16.5
227.12819	2.5
229.14317	2.6
233.15503	1.1
239.20026	27.8
274.64035	1.1
277.21667	3.5
299.23651	1.9
317.21130	1.1
317.24734	18.7
335.25766	100.0
336.26065	3.0
353.26855	34.3
371.27853	8.1
386.68762	1.0
420.86444	1.1
439.77194	1.2
457.60919	1.1
514.29462	1.3
518.18243	1.4
532.30194	3.3
550.31177	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	550.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01857	1.0
55.05501	1.4
57.03425	1.7
57.07061	0.6
60.08160	5.8
61.02911	0.8
67.05493	2.4
69.03422	3.2
69.07061	3.3
70.59558	0.8
70.59907	0.9
71.04984	3.5
71.07372	2.6
73.02908	2.6
79.05473	2.4
81.03391	1.4
81.07046	16.5
83.04976	0.5
83.08582	1.1
85.02893	6.9
85.06542	0.8
86.09695	30.7
87.04456	0.4
91.05459	3.0
92.87408	0.4
93.07034	7.4
95.04954	1.4
95.08589	5.0
97.02879	3.7
97.06497	0.8
98.98460	2.6
99.04412	0.6
99.08080	1.1
103.03912	0.6
104.10740	5.5
104.60039	0.3
105.07019	10.1
107.04922	0.5
107.08581	8.4
109.02841	0.7
109.06491	1.0
109.09445	0.6
109.10143	8.4
111.11671	0.7
113.09589	0.6
115.03916	2.2
119.08564	20.4
121.06464	0.5
121.10120	3.0
121.18364	0.4
123.08012	0.4
123.11704	3.1
124.73903	0.3
124.99988	19.5
127.03872	1.7
127.07565	0.6
127.11178	7.1
131.08507	0.6
133.04936	2.1
133.09204	0.6
133.10109	6.3
133.15295	0.4
135.07994	0.5
135.11674	11.3
137.06018	0.4
137.09598	0.5
137.13211	0.4
143.00967	0.4
145.04933	2.4
145.10060	0.9
147.11656	5.4
149.09612	0.5
149.13242	1.4
151.11197	3.8
157.10144	0.4
161.13231	2.1
163.05960	1.3
163.11151	0.7
163.14734	0.7
165.12692	1.4
167.07022	0.6
169.12201	0.7
171.11641	0.4
173.13171	0.7
175.14795	0.8
177.16266	0.6
179.10669	0.4
179.14272	0.4
184.07315	100.0
193.12207	1.0
203.17934	12.8
215.12740	1.1
221.18980	37.0
229.14351	0.6
235.13374	0.5
239.19994	3.8
241.07060	0.6
243.15968	0.6
253.14450	0.4
259.08047	0.8
264.09756	0.4
279.19516	0.4
295.10318	0.4
317.24713	1.3
335.22321	0.4
335.25751	8.6
353.26855	3.6
371.27814	1.2
400.43967	0.4
400.54764	0.3
452.23999	0.7
492.19073	0.4
502.32886	0.4
532.30042	1.4
550.23669	0.6
550.31512	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	550.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.1
55.01849	1.5
55.05505	2.5
57.03426	3.7
59.04983	0.5
61.02908	1.6
65.48800	0.5
66.70566	0.5
67.05492	6.4
69.03421	6.1
69.07063	3.1
70.38859	0.9
70.39225	1.1
71.01329	1.2
71.04967	1.2
71.46610	0.5
73.02612	0.5
73.02905	5.0
79.05475	4.3
81.03394	1.8
81.07046	17.0
83.04962	1.2
83.08600	0.8
85.02415	0.9
85.02891	12.3
85.06549	0.6
86.06093	0.5
87.04457	0.9
91.05473	4.1
93.07028	11.0
95.04952	1.8
95.08591	20.1
97.02880	7.4
97.06500	1.7
97.10133	0.9
99.04441	0.8
103.03942	0.5
103.05429	0.7
105.07017	9.7
107.04950	0.8
107.08577	18.0
109.02827	0.7
109.06477	0.9
109.10142	13.9
111.04444	0.5
111.08026	0.6
111.11711	0.6
115.03905	2.6
119.08571	7.7
121.06462	1.2
121.10129	12.8
123.11684	5.3
125.05994	0.7
125.09608	0.9
126.54842	0.5
127.03898	3.7
127.07552	0.5
131.08539	1.3
133.04956	3.9
133.10106	7.5
135.08093	0.6
135.11661	4.4
137.05968	3.1
139.11188	0.8
143.08533	0.8
145.04900	3.5
145.10104	1.2
147.04398	0.6
147.08043	0.5
147.11670	14.6
149.13254	1.5
151.03949	0.6
151.11157	1.0
157.10075	0.6
159.11615	1.0
160.48898	0.5
161.13226	6.4
163.06020	1.3
163.11133	0.8
163.14783	2.6
165.12779	0.9
167.07042	2.4
171.11626	0.7
173.13246	0.8
175.11171	0.7
175.14774	2.3
177.16345	0.6
181.05080	0.6
184.07333	1.1
189.12624	0.6
189.16418	0.8
193.08722	0.6
201.16310	1.0
203.17928	100.0
204.18338	0.9
205.19511	1.4
221.18983	10.9
239.20052	1.8
245.15485	0.6
253.14171	0.9
259.08054	0.8
295.09799	0.8
304.27005	0.6
317.21033	0.6
335.22165	1.0
335.25784	1.1
353.23044	0.7
383.23923	0.7
479.16351	1.1
553.02051	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
53.45148	0.6
53.77402	0.7
55.01862	2.4
55.05503	23.7
57.03439	5.0
57.07064	5.2
59.04991	0.8
65.03938	1.7
67.05495	31.0
68.02554	0.7
69.03419	2.4
69.07059	24.3
70.54041	0.6
71.04977	3.7
71.08617	2.5
71.63334	0.7
75.91148	0.6
79.05484	15.7
81.03409	26.9
81.07043	32.8
83.04968	5.7
83.08611	25.2
85.02895	14.3
85.06538	1.7
85.10185	1.6
91.05465	15.6
93.07034	17.2
95.04963	13.0
95.08595	25.1
95.30836	0.5
97.02869	1.9
97.06516	1.7
97.10151	9.5
99.08078	1.1
105.07027	9.7
107.04943	2.2
107.08576	9.3
109.06519	2.5
109.10143	11.5
111.04463	1.2
111.08057	5.4
111.11697	3.1
113.06020	1.5
113.09636	0.6
117.07050	1.0
119.08578	10.4
119.09368	1.2
121.06496	1.1
121.10121	11.0
123.08088	1.0
123.11653	3.3
125.09663	0.9
129.06976	4.5
131.08560	4.8
133.06490	1.5
133.10110	6.3
135.08060	1.1
135.11687	6.2
137.09610	1.5
137.13226	1.5
142.07764	1.1
143.08600	0.8
145.10110	1.4
147.11673	6.9
149.09641	2.9
149.13275	2.9
151.11160	1.9
151.14790	0.9
157.10130	5.7
159.11763	1.1
163.11191	0.9
163.14687	0.9
165.12781	1.2
175.11140	5.7
175.14723	0.7
177.16353	1.0
193.12221	24.1
211.13263	33.4
247.24118	1.3
249.14941	1.3
253.14243	3.2
265.25211	5.4
267.15884	5.2
271.15482	1.7
314.63831	0.7
335.25705	1.0
339.28842	3.5
457.36740	2.3
531.40637	6.1
549.41461	100.0
550.41699	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01856	2.2
55.05500	20.5
57.03429	4.8
57.07064	5.3
65.03924	1.7
67.05493	29.8
69.03408	2.4
69.07055	24.9
71.04977	3.3
71.08607	1.9
71.62846	1.2
79.05479	15.5
81.03401	26.9
81.07039	36.0
82.07346	0.7
83.04974	6.1
83.08604	22.6
85.02883	13.5
85.06517	3.0
85.10136	1.2
86.92590	0.6
91.05465	15.0
93.07029	16.1
95.04952	12.6
95.08590	26.7
96.08914	1.0
97.02834	1.1
97.06512	2.7
97.10153	10.0
99.04458	0.8
99.08088	1.3
105.07004	13.3
107.04938	2.4
107.08575	10.5
109.06489	1.8
109.10138	16.2
109.10892	1.0
111.08053	5.7
111.11697	1.8
113.05996	1.7
117.07025	1.5
119.08547	10.1
121.06538	0.9
121.10118	11.4
123.08032	1.4
123.11675	4.3
125.09645	1.1
129.06964	5.1
131.08531	5.2
133.06468	1.5
133.10097	9.8
135.11688	6.0
137.13249	1.4
142.07745	1.8
145.10132	2.2
147.08035	1.1
147.11662	6.6
148.05972	0.6
149.09598	2.9
149.13239	2.9
151.11128	3.1
157.10065	4.9
163.11247	0.8
163.14786	1.5
165.12679	1.1
165.16400	0.8
173.13411	0.7
175.11156	6.6
189.11165	0.7
193.10399	0.9
193.12199	23.0
211.13239	32.3
215.37029	0.7
247.24170	1.3
247.46881	0.7
253.14348	9.2
261.22122	2.5
265.25238	4.4
267.15817	4.8
271.15344	3.5
272.25467	0.7
276.97565	0.8
279.23450	0.7
335.25729	3.1
339.28842	4.2
362.52365	0.7
457.36935	1.7
531.40869	4.7
549.41431	100.0
550.41681	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	549.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58414	0.7
53.03937	3.5
55.01855	1.6
55.05491	3.4
57.03424	7.4
61.02898	7.3
65.03929	0.9
67.05485	2.7
69.03416	22.8
69.07043	2.4
70.39655	0.8
71.04972	3.7
71.61926	1.5
73.02901	3.3
79.05457	4.8
81.03406	7.4
81.07037	9.2
83.04993	1.8
85.02890	38.1
85.06504	1.8
87.04453	2.4
91.03927	2.3
91.05470	7.9
93.07021	5.8
95.04945	3.3
95.08581	6.0
97.02866	15.9
97.06506	2.7
99.04441	3.5
103.05446	0.8
105.07010	31.2
107.04958	1.2
107.08566	7.7
109.02849	6.3
109.06492	3.7
109.10104	3.9
115.03961	0.9
117.06997	1.8
119.04859	0.9
119.08555	25.4
121.06473	6.7
121.10115	3.6
123.08045	9.7
123.11716	0.9
125.05971	1.1
127.03893	9.2
129.06947	1.0
131.08568	2.4
133.06500	1.1
133.10118	5.6
135.08014	9.4
135.11670	2.0
137.05936	3.9
137.09625	1.7
143.08559	1.7
145.04955	7.4
145.10100	4.6
146.69391	0.7
147.04382	1.4
147.07999	1.2
147.11656	62.0
149.09583	5.8
151.03960	1.0
151.11145	6.7
153.01833	2.0
153.05344	0.9
159.11693	3.0
161.05927	0.9
161.13213	3.4
163.11156	4.4
165.12717	45.2
167.06938	4.1
173.13284	1.5
175.07474	1.0
177.12697	2.7
179.03410	1.4
179.14294	2.6
181.12291	4.3
187.11148	1.2
189.12735	3.4
191.14302	3.5
201.16339	1.3
207.02898	1.0
207.13760	100.0
208.14127	1.1
209.15373	2.8
219.17416	2.1
225.14809	45.8
233.11691	1.0
237.18379	1.6
287.05426	2.1
327.09366	1.0
369.12741	0.9
369.18979	4.1
371.20502	0.9
381.22534	1.0
387.15308	1.2
387.19659	4.7
517.14325	1.3
549.18365	3.9
549.25800	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	549.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.6
55.01853	2.8
55.05480	2.1
57.03406	4.6
57.07058	2.3
61.02919	2.4
67.05493	5.6
69.03418	29.1
69.07062	2.9
70.06568	2.3
71.04982	4.7
71.61685	2.1
79.05466	3.6
81.03413	10.8
81.07047	14.2
83.01337	3.5
83.04979	2.1
85.02888	84.8
87.04478	2.1
91.05471	6.3
93.07030	6.1
95.04962	3.7
95.08598	15.2
97.02890	17.3
99.04444	8.9
105.07009	13.7
107.08557	5.7
109.02880	7.5
109.06503	7.4
109.10133	35.2
109.55265	1.8
111.00560	1.9
111.04407	5.7
117.06971	3.4
119.08555	19.5
121.06438	3.2
121.10125	8.6
123.04400	2.0
123.08046	3.9
123.11684	100.0
125.05959	21.0
127.03905	18.9
131.08551	7.8
133.06493	2.8
133.10129	4.3
135.08083	2.4
137.05945	6.9
137.09561	6.2
139.07541	3.0
143.08557	2.4
145.04941	5.2
145.08672	2.6
145.10085	7.4
147.04417	2.3
147.08047	4.7
147.11664	23.2
149.09592	19.3
151.07542	17.9
153.01802	3.3
156.09276	4.1
161.09627	2.3
161.13249	5.6
163.11205	3.4
165.12772	3.8
167.06993	3.0
167.10687	3.1
169.08621	2.5
171.11671	5.6
187.36618	1.8
189.12703	25.1
207.13757	76.7
207.15694	4.2
210.44780	1.8
221.69383	2.2
225.14799	35.7
239.11853	2.3
241.09738	3.1
250.87680	1.9
251.09068	6.3
253.09663	3.1
267.15973	2.7
279.17523	1.9
287.26398	1.9
313.11798	6.5
333.16901	36.5
342.11853	3.6
351.17935	69.7
369.19009	45.5
373.13907	2.2
387.20093	61.2
489.14975	6.1
517.14313	5.2
549.17169	16.5
549.25110	4.0
550.17896	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.6
55.01853	2.8
55.05480	2.1
57.03406	4.6
57.07058	2.3
61.02919	2.4
67.05493	5.6
69.03418	29.1
69.07062	2.9
70.06568	2.3
71.04982	4.7
71.61685	2.1
79.05466	3.6
81.03413	10.8
81.07047	14.2
83.01337	3.5
83.04979	2.1
85.02888	84.8
87.04478	2.1
91.05471	6.3
93.07030	6.1
95.04962	3.7
95.08598	15.2
97.02890	17.3
99.04444	8.9
105.07009	13.7
107.08557	5.7
109.02880	7.5
109.06503	7.4
109.10133	35.2
109.55265	1.8
111.00560	1.9
111.04407	5.7
117.06971	3.4
119.08555	19.5
121.06438	3.2
121.10125	8.6
123.04400	2.0
123.08046	3.9
123.11684	100.0
125.05959	21.0
127.03905	18.9
131.08551	7.8
133.06493	2.8
133.10129	4.3
135.08083	2.4
137.05945	6.9
137.09561	6.2
139.07541	3.0
143.08557	2.4
145.04941	5.2
145.08672	2.6
145.10085	7.4
147.04417	2.3
147.08047	4.7
147.11664	23.2
149.09592	19.3
151.07542	17.9
153.01802	3.3
156.09276	4.1
161.09627	2.3
161.13249	5.6
163.11205	3.4
165.12772	3.8
167.06993	3.0
167.10687	3.1
169.08621	2.5
171.11671	5.6
187.36618	1.8
189.12703	25.1
207.13757	76.7
207.15694	4.2
210.44780	1.8
221.69383	2.2
225.14799	35.7
239.11853	2.3
241.09738	3.1
250.87680	1.9
251.09068	6.3
253.09663	3.1
267.15973	2.7
279.17523	1.9
287.26398	1.9
313.11798	6.5
333.16901	36.5
342.11853	3.6
351.17935	69.7
369.19009	45.5
373.13907	2.2
387.20093	61.2
489.14975	6.1
517.14313	5.2
549.17169	16.5
549.25110	4.0
550.17896	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54509	3.3
53.03931	10.3
53.88967	3.7
55.01865	8.8
55.05494	16.0
57.03418	10.8
61.77497	3.9
65.03938	6.1
67.05479	13.5
69.03413	30.1
69.07059	23.4
69.56287	3.3
71.01346	6.6
71.04984	38.1
71.62865	6.9
79.05475	32.4
81.03408	30.5
81.07043	35.5
83.04980	35.6
85.02894	31.6
85.06536	7.1
91.05469	31.8
93.03378	6.5
93.07038	43.5
95.04959	25.1
95.08587	20.5
97.02893	24.9
97.06522	31.3
99.04453	27.3
99.08046	5.4
101.06012	29.9
105.06367	6.0
105.07015	58.9
107.04929	22.7
107.08584	33.1
109.02842	26.6
109.06518	25.3
109.10149	7.8
111.04421	10.7
111.08085	7.3
115.05429	5.1
116.07069	16.0
117.06950	18.3
119.04939	12.1
119.08547	19.1
121.06492	38.9
121.10123	20.2
123.04381	7.6
125.05944	25.0
127.03911	40.7
127.07521	13.2
128.06245	4.8
129.05431	5.6
129.06970	10.9
130.07744	5.7
131.04938	7.5
131.07030	7.3
131.08559	19.5
131.09406	4.0
133.06462	16.5
133.10088	16.1
135.04448	9.2
135.08018	10.9
135.11668	14.2
137.05936	48.0
137.08067	10.5
137.09555	3.8
139.03896	6.0
139.07513	9.8
141.05464	5.8
143.07056	20.1
143.08507	11.6
144.09267	6.3
145.04900	8.0
145.06451	13.7
145.08580	38.9
145.10098	90.1
146.08952	8.3
147.04395	14.4
147.08046	8.1
147.11720	17.6
149.05977	9.3
149.09590	5.3
151.03889	22.3
151.07507	15.9
153.01782	12.8
153.05444	5.0
153.09068	3.8
155.06947	6.3
155.08406	4.3
157.10123	11.5
158.07240	7.0
159.08026	11.9
159.11678	35.5
161.05971	15.1
161.09644	10.0
161.13275	8.1
163.03845	6.5
163.07549	6.5
163.11172	100.0
163.12543	8.7
165.05435	6.1
167.07048	20.4
167.08353	4.8
169.10095	11.0
171.08047	4.3
171.11739	5.6
172.08818	5.8
173.05946	5.3
173.09596	46.1
173.13252	4.2
175.07578	9.3
175.11238	7.2
177.09082	5.0
177.12881	4.8
179.07018	4.0
181.04878	8.9
181.08655	3.8
181.12234	14.2
185.09705	4.7
187.05946	9.5
187.07544	6.1
187.11147	60.1
189.09163	6.3
189.12711	11.0
191.07034	6.1
191.09082	6.4
191.10658	35.5
193.08502	10.2
194.08876	6.1
195.08037	4.4
197.09605	9.2
203.10745	6.7
205.12193	36.4
207.06461	4.6
209.11546	4.9
215.10640	50.9
217.08542	4.7
217.12199	6.7
219.10202	21.8
227.12706	10.4
233.11688	86.5
235.13232	7.9
251.12737	50.0
253.14351	9.8
269.13699	6.0
305.12100	4.9
331.15372	4.8
341.13690	8.3
359.14828	13.8
371.14716	6.2
376.00595	4.5
377.15997	28.5
387.10385	5.3
387.14691	14.2
395.16974	49.4
413.17929	12.9
495.22308	6.8
524.41266	4.1
549.22150	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	549.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.0
57.03412	0.8
69.03419	1.5
69.38972	8.0
71.04964	1.2
72.74514	0.8
81.03424	1.3
81.07048	0.9
85.02891	2.6
85.06498	1.2
90.05531	1.0
91.05452	1.0
93.38715	0.8
94.06557	1.6
95.08635	0.9
97.02908	0.9
105.07037	1.3
107.08579	1.3
109.06488	0.9
123.08022	1.0
135.08000	1.0
137.05957	1.8
137.09590	3.1
138.05440	0.8
146.05965	1.5
148.07524	1.0
153.01805	1.3
162.05473	0.8
166.05035	0.8
167.07097	0.9
176.06944	1.0
183.09193	0.9
196.07578	0.8
197.10738	3.4
198.07814	0.9
198.11391	1.1
199.08630	7.4
201.10107	1.1
207.13780	2.2
211.08632	9.5
211.12274	2.1
212.09209	4.2
213.10161	12.2
213.13724	1.2
214.07349	2.2
214.10939	2.9
220.11716	1.6
225.10155	20.6
226.07355	9.5
226.10886	7.8
227.08122	14.3
227.11652	7.9
239.11777	8.8
240.08965	3.2
240.12498	6.2
241.09680	15.1
241.13390	3.0
242.10480	11.2
242.14079	1.4
249.10112	0.8
251.08202	1.0
251.11748	2.0
251.25429	0.8
252.08745	1.7
253.09644	11.2
254.10306	1.6
255.11256	13.7
257.12811	34.2
265.09772	1.6
267.07870	1.2
267.11234	14.1
268.08963	1.1
268.12015	13.5
269.09177	2.5
269.12778	4.9
270.10117	2.2
271.10745	6.1
273.12219	1.6
279.11285	1.1
280.12024	2.3
281.09158	2.5
283.10703	1.1
284.11533	3.1
285.12329	6.9
286.09708	0.9
286.13190	2.3
288.11075	1.1
289.11658	1.8
295.10727	10.4
296.11496	13.9
297.12271	5.1
298.13074	1.5
299.10226	1.4
300.11047	1.3
313.11765	44.7
314.08896	1.2
314.12549	20.7
315.13452	2.4
323.10382	1.6
324.11053	1.3
339.13562	1.0
341.11292	5.2
342.12033	34.4
343.12421	0.9
355.12833	1.4
373.13852	10.6
374.14346	6.2
387.19107	8.7
401.09262	1.3
411.11978	1.7
417.12796	0.9
425.13647	0.8
429.12790	2.7
433.15912	1.6
443.14618	6.8
455.14359	0.9
457.12424	2.4
471.14072	4.8
473.15540	2.4
489.14929	35.1
499.13229	2.4
517.14429	43.1
518.15125	1.1
531.15790	1.3
549.17072	100.0
550.17474	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	549.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39470	0.9
52.06235	0.8
53.03927	2.4
55.01851	2.2
55.05490	2.7
57.03430	4.8
67.05482	2.2
69.03423	21.6
69.07064	1.9
71.01312	1.0
71.04980	4.5
71.62578	1.0
73.02885	1.8
79.05479	4.4
81.03397	14.2
81.07048	7.9
83.04976	3.6
85.02888	12.6
85.06498	2.1
86.08215	0.7
87.04439	1.7
89.16445	0.7
90.01023	0.8
91.05474	3.2
93.07046	6.8
93.76745	0.7
94.06484	0.9
95.04951	2.6
95.08587	4.0
97.02884	6.9
97.06497	2.1
99.04443	12.1
99.65651	0.8
105.07024	9.4
107.04944	1.7
107.08587	6.3
109.02859	5.2
109.06495	1.9
109.10158	1.5
111.04428	0.9
111.08080	2.8
115.03926	1.1
117.05489	3.9
119.08569	6.5
120.18069	0.7
121.06493	3.1
121.10139	3.0
122.03519	1.0
123.08053	2.7
125.05986	1.0
125.09604	0.8
127.03903	6.2
131.04887	1.8
131.08542	2.4
133.04935	0.9
133.10106	4.1
135.04405	0.9
135.08037	2.6
135.11633	0.9
137.05957	6.5
137.09584	1.3
145.04948	8.1
145.10101	4.5
147.04315	0.8
147.07991	0.9
147.11664	11.8
149.09593	1.7
149.13235	0.8
149.19023	0.8
151.03893	1.6
151.11154	2.2
153.01810	3.8
157.10141	1.0
159.06538	1.4
159.11719	2.3
161.05942	1.8
161.13228	1.2
162.05481	1.1
163.06017	2.7
163.07420	1.0
163.11166	1.4
163.14816	0.9
163.43002	0.9
165.12738	6.6
166.10942	0.8
167.07024	4.0
169.12233	3.1
173.13245	1.7
175.07535	1.1
175.11116	1.3
181.04970	2.4
181.08606	1.0
183.09215	0.9
187.06053	2.7
189.12741	1.7
191.10663	1.0
193.12300	1.6
196.09904	0.8
197.10719	2.2
198.07896	1.7
198.11493	1.5
199.08659	10.9
201.16360	8.5
207.02870	1.3
207.13782	15.3
209.15356	1.0
211.08595	9.9
211.13226	2.4
212.09430	3.4
213.06654	0.9
213.10162	11.3
214.07344	1.8
214.10793	3.8
217.12300	1.7
218.76613	0.8
219.17404	10.2
225.10161	14.8
225.14822	5.6
226.07344	14.3
226.10825	5.0
227.08118	18.5
227.11588	5.5
228.08887	1.0
235.13225	1.6
237.10449	0.9
237.18396	7.1
239.08226	1.7
239.11746	6.5
240.08879	2.9
240.12508	5.5
241.09674	14.8
241.13445	2.0
242.10448	16.7
251.08221	1.1
251.11876	1.4
252.09134	0.8
253.09712	10.0
253.14073	0.9
254.10350	2.4
255.11263	11.4
257.12817	21.6
267.11252	11.7
268.08545	2.4
268.12067	14.3
269.09286	2.8
269.12747	4.5
270.13553	1.1
271.10812	1.3
279.11041	1.2
280.12158	1.7
281.09232	3.0
283.10706	1.2
284.11542	2.3
285.09222	0.8
285.12274	5.1
286.09479	2.9
286.12863	1.5
295.10645	7.9
296.11536	12.0
297.09235	1.0
297.12201	3.9
298.13065	1.4
299.10165	1.9
300.11050	1.4
303.10544	1.1
313.11740	36.4
314.12521	17.0
321.11761	7.8
323.10175	1.4
324.11346	1.2
337.11115	1.0
341.11234	4.7
342.12045	66.0
343.12503	1.5
355.12897	1.5
355.17389	0.9
359.12027	1.0
369.13416	2.0
369.19089	1.4
373.13950	8.8
374.14175	5.2
383.12347	1.4
387.14886	1.1
401.09875	2.6
411.11862	1.3
415.14981	0.9
417.12906	1.7
429.12994	2.2
433.15836	1.6
440.33746	0.9
443.14502	3.3
443.78207	0.9
457.12473	5.1
471.13919	5.3
473.15363	3.5
475.13303	1.7
489.14948	30.5
496.24628	0.9
499.13367	2.6
517.14471	100.0
518.14807	2.5
531.16400	2.5
534.30066	0.9
549.17053	91.0
549.24506	4.0
550.17407	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	548.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53096	1.4
55.01860	2.4
55.05503	10.3
57.03429	12.9
62.06076	9.0
67.05489	20.2
69.03408	8.1
69.07051	10.0
70.18484	4.7
71.04987	6.7
73.02891	4.2
77.26035	1.6
78.07111	1.4
79.05485	20.5
81.03406	80.6
81.07042	29.5
81.23317	1.5
82.07343	1.4
83.04958	9.6
83.08607	20.8
85.02889	17.2
85.06494	2.6
91.05470	27.0
93.07022	18.6
95.04952	29.8
95.08585	17.0
97.02898	6.6
97.06525	5.4
97.10120	5.7
99.08067	2.0
105.07011	24.6
107.04950	7.6
107.08576	14.1
109.06476	9.1
109.10151	11.3
111.04430	1.9
111.08074	9.8
115.03970	1.6
115.05434	2.2
117.06975	4.1
119.04939	1.5
119.08559	19.9
120.27296	1.3
121.06474	4.1
121.10110	13.8
123.04451	1.7
123.08038	5.1
123.11643	4.3
125.09583	5.1
127.03782	1.7
127.07457	1.7
127.91488	1.3
129.06982	11.4
131.04887	1.6
131.08534	15.3
133.06450	3.3
133.10127	16.1
135.08032	1.7
135.11636	3.2
137.05934	3.8
137.09550	2.8
142.07755	2.9
143.08577	1.5
145.04939	1.8
145.06474	3.9
145.10143	8.1
147.08006	4.5
147.11693	13.0
149.09583	10.6
149.13251	3.8
151.07588	1.9
151.11145	6.2
157.10103	11.7
159.11667	4.4
161.13214	3.7
163.07452	1.6
163.11127	3.9
163.14758	1.5
165.12726	3.3
173.13185	2.4
175.11145	10.7
175.14775	2.0
177.12685	2.6
181.12183	1.7
184.07301	3.4
185.13141	1.9
187.14832	3.4
190.96333	1.5
191.10628	1.7
193.12221	30.8
201.16368	4.7
211.13208	18.5
211.14978	1.8
219.11676	5.9
219.17352	9.7
229.14238	2.0
235.09798	1.4
235.16806	1.7
237.18401	5.3
249.14851	2.9
255.13667	1.8
267.15872	100.0
273.14813	2.4
285.16956	20.6
299.40463	1.4
305.24655	1.5
333.24026	7.5
349.21356	3.6
351.25253	17.5
367.22656	9.3
369.26376	2.4
385.23709	10.2
403.24640	2.6
433.25900	7.9
441.26199	4.2
459.21170	2.2
459.27374	44.6
477.28348	41.8
517.18176	1.7
530.35034	11.4
548.28430	2.2
548.35645	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	548.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.9
55.01863	18.9
55.05502	14.4
55.71918	2.0
57.03425	40.3
57.07058	5.9
59.04980	7.1
61.02914	15.5
63.09066	1.8
67.05161	2.9
67.05492	32.9
68.05825	1.9
69.03416	52.6
69.07061	17.4
69.40173	14.3
69.40598	6.1
71.01343	7.0
71.04967	3.9
73.02908	56.5
76.91969	1.8
79.05467	15.7
81.03405	18.1
81.06571	4.3
81.07043	79.0
81.08793	2.0
83.04950	5.7
83.08606	13.0
83.63026	2.2
85.02891	95.5
87.04462	9.4
91.03936	4.8
91.05471	13.3
93.07037	22.8
95.04970	9.6
95.08590	61.7
97.02873	69.8
97.06510	2.4
97.10144	8.8
98.20792	4.7
99.04448	8.1
103.03908	3.0
105.07005	12.4
107.04971	3.1
107.08586	26.7
109.02853	8.5
109.06489	4.6
109.10135	57.4
110.10490	4.2
111.08041	4.5
115.03907	44.1
119.08558	10.4
121.06458	2.7
121.10125	38.1
123.08076	5.3
123.11711	12.3
125.05981	2.2
125.09626	2.4
127.03902	34.3
128.93460	1.9
131.08516	5.8
133.03978	4.0
133.04942	49.8
133.10129	15.1
135.08040	2.8
135.11671	41.1
137.09589	12.9
137.13235	33.9
139.07550	3.0
139.11142	2.2
141.09093	5.5
143.83223	2.2
144.06511	3.2
145.03883	3.6
145.04942	41.6
145.10097	5.5
147.08064	2.5
147.11674	4.3
149.09648	2.5
149.13225	4.1
150.07581	4.6
151.11157	5.7
155.10629	14.7
157.10135	2.9
159.11641	4.1
161.06026	2.5
161.13258	4.1
163.06023	10.8
163.11160	6.6
163.14836	2.5
167.10727	2.2
175.11153	3.7
177.16374	8.3
181.12207	9.7
191.17918	100.0
193.04816	3.2
193.12241	3.7
201.16359	9.6
209.11682	2.0
211.13171	2.9
217.15857	2.5
219.17393	52.6
223.05919	5.8
229.14261	2.9
237.18504	17.1
241.07034	8.5
253.14278	19.6
259.08044	5.7
267.15909	11.6
269.17441	3.0
271.15387	3.4
285.16953	5.6
301.14124	2.8
302.14624	7.8
351.21521	8.7
445.25909	2.4
463.26782	8.6
495.29343	5.7
513.28857	2.1
530.28503	6.2
548.29437	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	548.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.7
53.03935	3.3
55.01862	4.8
55.05500	16.6
57.03424	8.4
57.07055	1.6
59.04993	5.7
61.02918	4.7
63.12776	1.5
65.03937	1.9
67.05490	20.6
68.02950	1.5
69.03419	18.6
69.07058	18.9
70.06593	2.7
71.04985	12.0
71.62228	2.8
72.95715	1.8
73.02902	13.3
79.05475	18.8
81.03412	7.9
81.07045	87.5
81.49970	1.9
83.04965	10.2
83.08610	5.8
85.02895	30.7
85.06544	5.5
86.09705	6.0
87.04460	2.9
91.05457	16.9
92.05794	1.7
93.07033	96.6
93.36718	1.7
95.04951	10.7
95.08595	53.5
97.02879	20.7
97.06520	11.3
97.10168	4.6
99.04439	4.0
103.05457	2.7
104.10733	6.2
105.07015	45.1
107.04950	4.5
107.08569	49.0
107.09280	2.7
109.02882	3.0
109.06514	6.3
109.10144	44.4
109.10911	2.2
111.08067	5.1
111.11743	2.3
115.03918	8.9
117.07010	7.1
119.08563	29.8
121.06519	6.1
121.10130	40.7
123.08073	7.6
123.11684	44.2
125.05988	2.7
125.09638	9.7
126.05598	2.0
127.03881	11.0
127.07513	2.8
127.11169	8.7
129.07016	3.4
130.07759	3.0
131.04884	2.2
131.08534	16.0
133.04938	11.8
133.10107	35.5
135.08008	4.4
135.11693	23.5
137.05936	10.5
137.09579	5.0
137.13254	2.9
139.11134	3.8
143.08528	3.7
143.10658	5.2
145.04942	8.1
145.06387	1.8
145.10103	52.8
147.04411	2.1
147.08038	2.1
147.11679	15.4
149.06094	1.9
149.09605	3.8
149.13202	8.2
151.11166	30.3
153.12741	3.1
155.03345	4.3
157.10110	4.1
159.08054	2.6
159.11664	29.2
161.09596	2.3
161.13226	22.4
163.05997	3.7
163.11206	11.5
163.14821	3.3
165.09096	2.6
167.07048	4.7
167.10614	2.6
168.92047	1.9
169.12306	2.1
173.09685	2.0
173.11948	1.9
173.13237	10.2
175.14819	4.7
177.05519	2.2
177.12718	1.8
177.16388	3.5
178.73024	1.9
179.10664	3.5
181.04924	2.1
181.12180	4.2
184.07253	8.7
185.13234	2.5
187.48849	1.8
191.17918	16.9
197.13477	2.2
199.14859	2.2
201.16353	65.7
207.13728	2.8
215.14500	2.1
219.17410	100.0
220.17691	2.2
225.14778	2.9
237.18478	19.0
249.18588	4.0
259.08212	2.3
277.17813	3.3
293.21155	3.4
295.10025	3.0
295.19003	7.7
315.23035	4.1
333.20517	3.3
333.24149	19.8
350.23703	1.9
351.25125	14.4
360.18988	1.9
517.18225	2.1
548.20532	3.2
548.30859	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	548.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.3
55.01864	0.5
55.05474	0.9
56.05016	0.4
57.03413	0.5
57.07043	0.3
58.06586	0.4
60.07878	0.4
60.08152	5.6
67.05490	2.9
69.03404	0.5
69.07039	0.9
71.07365	2.9
71.62523	0.4
79.05479	1.6
81.03410	2.3
81.07040	2.7
82.07332	0.3
83.04949	0.8
83.08573	0.8
85.02871	0.9
85.06511	0.4
86.09691	29.7
91.05464	1.9
93.07032	1.8
94.07323	0.3
95.04934	1.1
95.08589	1.4
97.02858	0.4
97.06487	0.4
97.10140	0.6
98.98442	2.4
104.10732	4.6
105.07029	1.9
107.04907	0.7
107.08572	1.3
109.06501	0.5
109.10119	1.0
110.10494	0.2
111.08036	0.3
115.65257	0.2
119.08576	1.5
121.06486	0.5
121.10101	0.8
123.08066	0.3
123.11652	0.3
124.99982	20.7
125.09658	0.4
129.06984	0.6
131.08542	0.8
133.10077	0.7
133.25957	0.2
135.08018	0.3
135.11632	0.4
136.47327	0.2
145.10103	0.5
147.07948	0.4
147.11633	0.8
149.09581	0.3
151.11188	0.3
157.10132	0.8
161.05811	0.3
163.11227	0.3
166.02579	0.3
173.13199	0.2
175.11186	0.7
184.07309	100.0
185.07704	0.5
191.78632	0.2
193.12167	1.2
211.13318	1.6
244.35994	0.2
258.11105	0.3
267.15829	1.4
271.76593	0.3
275.19858	0.3
285.16910	2.2
302.14569	0.2
317.10486	0.3
333.24173	0.7
351.25290	0.6
365.84534	0.2
369.26599	0.3
459.27512	0.4
477.28494	0.9
495.29492	1.9
506.69226	0.3
530.28424	1.4
548.29767	10.3
549.20917	0.3
552.91406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.2
55.05498	1.8
56.05032	0.5
57.03421	0.3
67.05482	0.9
69.03415	1.5
69.07057	0.7
69.57332	2.8
70.06583	4.5
71.04976	0.7
79.05479	1.5
81.03400	1.1
81.07056	2.0
83.04974	1.3
85.02884	2.2
85.06542	0.4
91.05461	0.7
93.07035	2.6
95.04948	0.8
95.08597	1.5
97.02877	1.2
97.06512	1.2
98.06039	9.7
98.21468	0.6
99.04443	1.3
105.07014	1.9
107.04949	0.7
107.08577	2.1
107.53776	0.3
109.02840	1.4
109.06496	1.3
109.10135	0.8
111.08060	0.9
116.07072	100.0
119.08568	1.5
121.06472	2.4
121.10107	0.5
123.04418	0.3
123.08055	0.5
123.11668	0.6
125.05997	1.1
127.03932	1.6
127.07520	0.5
129.06931	0.4
131.08594	0.3
133.06409	0.5
133.10117	1.2
135.04424	0.3
135.08035	1.0
139.07513	0.9
143.07001	0.8
143.08563	0.7
145.08536	0.3
145.10104	0.6
147.11674	2.6
157.10040	0.7
161.05951	0.4
161.13275	0.9
162.02097	0.3
163.08612	0.3
165.12767	1.2
167.50661	0.4
169.12228	0.9
171.11702	0.9
175.07416	0.4
175.11148	1.7
175.14783	0.3
187.05998	0.6
189.09009	0.4
189.12712	1.5
193.12265	1.1
199.11179	0.7
207.13834	1.0
211.13283	0.9
217.12189	2.8
235.13237	3.7
253.14337	4.8
271.15384	0.9
278.12253	4.8
361.16339	0.7
379.17496	0.7
397.18457	0.9
486.26587	1.5
494.24277	0.5
512.24988	2.0
528.42480	0.3
530.26117	3.0
548.26953	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	547.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01862	2.6
55.05503	21.6
57.03429	12.8
57.07067	5.1
58.24073	1.2
59.04983	1.3
62.38388	1.3
65.03936	2.1
66.43420	1.3
67.05496	81.6
68.05828	1.8
69.07058	22.4
69.31017	1.3
71.04977	4.7
71.54630	1.7
71.54957	2.0
74.46973	1.3
79.05484	45.3
80.05791	1.6
81.03419	5.6
81.07044	100.0
82.03771	1.2
82.07372	2.5
83.04977	4.6
83.08612	17.2
85.06549	5.9
91.05469	33.8
93.07029	70.6
94.07351	1.4
95.04970	9.6
95.08591	59.5
97.06515	8.4
97.10149	4.5
99.08103	2.6
105.07013	30.4
107.08585	39.6
107.09277	2.7
109.06511	4.7
109.10136	26.1
111.08079	4.3
113.09663	1.9
115.05476	1.5
117.07001	13.0
119.08569	24.3
120.08970	1.5
121.06540	1.6
121.10122	32.8
123.08079	3.4
123.11705	9.9
125.09628	2.2
128.91147	1.4
129.07004	4.4
131.08559	19.5
133.10106	19.6
135.11664	17.8
137.09573	2.1
143.08504	6.3
145.10104	15.8
147.11670	14.7
149.09644	2.7
149.13229	22.0
157.10095	6.6
159.11670	17.1
161.13240	9.4
163.14854	3.6
165.12772	1.7
169.10172	3.5
171.11731	5.1
173.11937	1.4
173.13261	9.1
175.14885	3.8
177.12776	5.2
177.16335	1.4
183.11676	2.1
185.13312	3.8
187.14815	3.0
193.41298	1.4
194.12610	1.6
195.13770	7.6
199.14853	2.2
201.16414	2.2
211.13223	2.2
225.16624	1.3
229.14331	2.8
243.15921	2.3
243.21077	3.2
247.20778	2.3
259.20609	2.7
261.22101	15.7
267.16043	3.9
269.17441	39.8
271.19290	1.3
277.21893	1.7
279.23239	1.8
287.23810	4.0
301.25299	4.9
303.23297	1.5
317.24890	3.0
321.24500	1.6
335.25748	25.9
375.29382	2.8
419.33051	2.4
437.34009	8.1
455.35419	7.2
473.36380	5.3
475.34286	2.4
503.37445	2.5
511.38013	3.8
529.38831	80.5
530.38995	1.9
547.39893	46.4
548.40796	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.2
55.05498	1.8
56.05032	0.5
57.03421	0.3
67.05482	0.9
69.03415	1.5
69.07057	0.7
69.57332	2.8
70.06583	4.5
71.04976	0.7
79.05479	1.5
81.03400	1.1
81.07056	2.0
83.04974	1.3
85.02884	2.2
85.06542	0.4
91.05461	0.7
93.07035	2.6
95.04948	0.8
95.08597	1.5
97.02877	1.2
97.06512	1.2
98.06039	9.7
98.21468	0.6
99.04443	1.3
105.07014	1.9
107.04949	0.7
107.08577	2.1
107.53776	0.3
109.02840	1.4
109.06496	1.3
109.10135	0.8
111.08060	0.9
116.07072	100.0
119.08568	1.5
121.06472	2.4
121.10107	0.5
123.04418	0.3
123.08055	0.5
123.11668	0.6
125.05997	1.1
127.03932	1.6
127.07520	0.5
129.06931	0.4
131.08594	0.3
133.06409	0.5
133.10117	1.2
135.04424	0.3
135.08035	1.0
139.07513	0.9
143.07001	0.8
143.08563	0.7
145.08536	0.3
145.10104	0.6
147.11674	2.6
157.10040	0.7
161.05951	0.4
161.13275	0.9
162.02097	0.3
163.08612	0.3
165.12767	1.2
167.50661	0.4
169.12228	0.9
171.11702	0.9
175.07416	0.4
175.11148	1.7
175.14783	0.3
187.05998	0.6
189.09009	0.4
189.12712	1.5
193.12265	1.1
199.11179	0.7
207.13834	1.0
211.13283	0.9
217.12189	2.8
235.13237	3.7
253.14337	4.8
271.15384	0.9
278.12253	4.8
361.16339	0.7
379.17496	0.7
397.18457	0.9
486.26587	1.5
494.24277	0.5
512.24988	2.0
528.42480	0.3
530.26117	3.0
548.26953	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	547.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08798	0.6
53.03929	2.2
55.01866	2.7
55.05502	15.2
57.03424	5.8
57.07072	3.9
59.04992	0.7
62.96394	0.5
65.03927	2.6
67.05495	49.4
69.03424	2.3
69.07059	14.4
69.98570	3.1
71.04980	3.0
71.08621	1.9
74.09711	0.7
79.05482	22.8
81.03404	28.9
81.07042	50.9
82.07403	1.3
83.04961	6.9
83.08603	16.6
85.02894	12.4
85.06528	1.9
85.10181	1.0
89.13943	0.6
91.04884	0.8
91.05468	22.4
93.07030	21.4
95.04951	17.2
95.08595	32.6
97.02872	0.7
97.06511	3.8
97.10157	5.7
99.08073	1.6
103.33406	0.6
105.06294	0.8
105.07014	16.2
107.04926	3.4
107.08581	12.2
109.02838	0.6
109.06519	2.5
109.10139	13.7
111.04431	2.0
111.08067	5.0
113.05972	1.4
115.05447	0.8
117.07014	2.0
119.08569	13.2
121.06487	1.5
121.10126	9.3
122.10375	0.6
123.04427	2.4
123.08063	1.2
123.11696	6.3
125.09629	2.1
128.99181	0.5
129.06995	4.8
131.08533	6.1
133.06554	0.9
133.10104	7.6
135.08029	1.0
135.11659	4.8
137.09631	1.2
137.13235	2.0
139.11159	0.6
142.07793	2.1
143.08546	1.3
145.10110	3.8
147.08058	1.9
147.11673	7.6
149.09596	3.6
149.13263	2.5
151.11223	0.7
157.10104	5.3
159.11723	1.3
161.13271	2.6
163.11154	1.7
163.14777	1.3
165.12787	1.9
165.16446	0.6
169.77946	0.7
171.11691	0.8
173.13284	0.7
174.73540	0.7
175.11139	5.3
175.14774	1.4
185.13268	0.8
189.11208	0.7
189.16330	0.7
193.12213	25.0
199.14699	0.7
211.13258	28.4
235.13213	3.4
245.22496	1.3
249.14857	0.8
263.23688	4.6
266.40045	0.6
267.15860	7.2
303.26678	0.8
319.26221	0.7
337.27286	7.6
437.34015	1.4
455.35248	2.1
473.36411	2.1
491.37134	0.7
511.38367	0.6
529.38995	12.6
547.39893	100.0
548.40308	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	547.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35922	1.5
53.03925	5.0
55.01850	4.2
55.05505	24.6
57.03430	11.2
57.07056	6.0
58.38644	1.4
61.79242	1.4
65.03914	4.3
67.05496	91.0
69.03426	1.8
69.07059	26.9
69.32286	17.8
71.04972	5.1
71.08608	3.9
79.05049	2.8
79.05482	41.8
80.05810	2.1
80.87287	1.4
81.03387	4.7
81.07044	100.0
83.04955	6.0
83.08609	15.6
85.06525	5.8
91.05473	33.8
93.07034	59.8
94.07366	1.9
95.04961	12.7
95.08595	57.2
97.06529	9.3
97.10130	4.9
99.08083	3.1
105.07019	30.8
107.04930	3.5
107.08585	33.5
108.26346	1.6
109.06464	4.2
109.09447	2.2
109.10141	28.7
111.08068	5.6
111.11798	1.8
113.09623	2.1
117.07005	12.1
119.08566	25.6
121.06498	1.7
121.10133	31.3
123.04405	1.6
123.08014	3.9
123.11712	11.8
125.09632	2.6
129.06979	6.1
131.08556	19.0
133.10114	19.1
135.08069	1.9
135.11662	18.9
137.13229	2.6
143.08533	5.9
145.10104	11.7
147.11678	15.5
149.09581	3.8
149.13232	22.1
155.08560	3.6
157.10115	7.7
159.11668	17.1
161.13184	7.9
163.11206	2.3
163.14790	2.1
165.12712	4.2
169.10103	3.5
171.11684	5.3
173.11790	2.9
173.13222	6.2
175.14798	2.5
177.12730	3.8
183.11678	3.2
185.13177	3.2
187.14775	4.0
189.16335	2.2
193.12424	1.7
195.13771	8.7
199.14740	3.2
201.16344	2.1
229.14337	2.3
235.13087	2.3
243.20924	2.0
261.22092	13.3
267.15732	8.4
269.17435	35.2
275.20108	2.5
279.23184	2.2
287.23764	2.8
301.25024	3.8
303.23203	1.9
317.24649	3.1
335.25821	21.9
390.67227	1.9
437.34113	9.7
455.35202	7.2
473.36093	6.8
503.37384	3.3
511.37845	3.0
529.38812	72.6
547.40167	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	0.5
53.03934	2.2
55.01863	2.2
55.05503	14.5
55.59164	0.4
57.03434	4.8
57.07065	7.8
65.03934	2.0
67.05494	50.7
68.05819	0.6
69.03400	1.7
69.07058	12.4
71.04985	3.8
71.08619	4.4
72.20288	0.4
79.05478	21.1
81.03405	25.7
81.07042	48.2
83.04961	5.6
83.08604	14.8
85.02888	11.4
85.06531	1.5
85.10168	2.2
91.05466	20.0
93.07030	18.8
94.07347	0.5
95.04951	17.6
95.08591	29.9
97.02882	1.1
97.06509	3.4
97.10152	5.4
98.21456	1.5
99.08090	1.1
103.05446	0.8
105.07013	15.2
106.07384	0.5
107.04948	4.2
107.08577	11.4
109.02876	0.7
109.06497	2.6
109.10136	11.7
111.04390	0.6
111.08064	5.1
111.11703	0.5
113.05988	1.0
113.09629	0.5
115.05410	0.7
115.99163	0.5
117.07016	2.8
119.04980	0.7
119.08561	12.5
121.06494	1.6
121.10122	8.7
123.04395	4.3
123.08047	1.6
123.11690	5.9
125.09624	1.8
128.06256	0.7
129.06979	4.2
131.08543	5.5
133.06531	1.1
133.10104	7.5
135.08022	1.1
135.11678	4.4
137.09589	1.5
137.12326	0.5
137.13202	2.4
142.07779	1.0
143.08562	1.1
145.06570	0.6
145.10114	3.9
147.08002	1.7
147.11671	8.0
148.12033	0.6
149.09573	2.5
149.13268	2.4
151.11150	0.7
151.14783	1.0
153.09142	1.0
155.08504	0.6
157.10100	4.8
157.22144	0.5
159.11665	1.2
161.09648	0.6
161.13223	2.7
163.11143	2.2
163.14803	1.8
165.12790	1.9
169.10211	0.6
171.11713	1.1
173.09631	0.8
173.13202	0.6
175.11159	5.6
175.14796	1.6
177.16393	0.7
187.14722	0.7
189.11159	0.9
189.12781	0.7
189.16386	0.8
193.12213	19.5
199.11113	0.6
207.13882	0.8
209.13327	0.5
211.13257	25.0
217.12302	0.8
235.13237	7.7
239.23709	0.6
241.17827	0.6
245.22661	1.0
249.14801	0.8
263.23627	4.1
267.15894	6.3
268.16226	0.8
269.17401	0.8
285.16977	0.9
291.15991	0.6
319.26343	0.7
337.27316	5.3
437.34265	0.9
455.35284	1.7
473.36420	1.9
515.37195	1.5
529.38757	10.7
547.39862	100.0
548.40198	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	547.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01858	2.1
55.05502	16.1
57.03427	5.7
57.07067	3.3
63.74592	0.6
65.03930	2.3
67.05493	47.5
67.92113	0.5
68.05822	0.5
69.03423	1.7
69.06672	0.7
69.07052	11.8
69.07401	0.8
70.75695	1.1
70.76061	1.1
71.04980	3.6
71.08616	1.3
79.05481	21.2
81.02915	1.2
81.03402	24.1
81.07041	44.3
83.04958	5.7
83.08602	15.4
85.02896	12.1
85.06508	1.4
85.10149	0.9
85.29023	0.6
91.05465	20.0
93.07028	19.6
95.04958	12.9
95.08590	29.4
97.02879	0.8
97.06511	2.6
97.10144	5.9
99.08070	1.6
105.04498	0.8
105.07013	14.8
107.04939	3.1
107.08575	11.4
108.08879	0.5
109.06504	2.5
109.10135	12.4
111.04439	1.1
111.08045	4.9
113.05991	1.4
113.09649	0.7
115.05424	1.0
117.07009	2.5
119.08561	13.9
121.06465	1.6
121.10123	9.8
122.10510	0.6
123.04455	0.8
123.08085	1.8
123.11679	5.5
125.09631	2.2
129.06982	4.3
131.08542	6.1
133.06517	1.2
133.10100	8.3
135.11670	3.6
137.09570	1.3
137.13286	1.9
142.07785	1.3
143.08560	0.9
144.53825	0.5
145.10057	2.8
147.08038	1.6
147.11673	8.0
149.09596	2.2
149.13232	1.1
151.14775	1.4
153.12764	0.9
156.74031	0.5
157.10091	6.2
159.11659	1.4
161.13229	1.8
163.14804	2.0
165.12730	1.7
171.11671	0.8
175.11153	5.7
175.14813	1.7
181.10149	0.6
189.11226	1.2
189.16331	0.8
193.12213	22.4
199.14896	0.7
211.13249	30.5
227.12709	1.1
245.22565	1.4
249.14700	0.7
261.22031	0.8
263.23578	3.6
267.15887	7.2
305.24594	0.6
337.27322	4.3
349.24356	0.7
351.02875	0.7
356.36356	0.6
367.76971	0.6
419.33167	0.7
437.34021	1.7
455.35056	1.7
473.36102	1.7
511.37759	0.9
529.38831	13.8
529.58105	0.6
530.39435	0.9
547.39850	100.0
548.40106	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	547.3957
Annotation	(3R)-7,8,3',4',7',8'-Hexadehydro-beta,beta-caroten-3-ol
Peak:m/z	Relative Intensity
53.03931	1.4
55.01857	1.0
55.05504	12.9
57.03421	2.3
57.07057	2.2
62.58292	0.9
65.03931	2.2
67.05496	25.9
69.03445	0.9
69.07068	9.0
69.31410	0.9
71.04967	1.7
71.08623	1.7
71.63525	1.5
72.99469	0.8
79.05485	17.6
81.03414	8.0
81.07043	27.5
82.07356	1.0
83.04967	2.8
83.08611	7.4
85.02901	2.9
85.06540	1.5
88.83630	1.0
91.05469	16.2
93.07029	19.9
95.04960	7.9
95.08595	21.9
95.09161	2.0
97.06516	2.4
97.10150	2.3
105.07018	18.7
105.61215	0.9
107.04956	1.4
107.08580	14.8
109.06516	1.7
109.10126	12.0
111.08096	2.3
117.06988	4.5
119.08569	21.2
121.06538	1.9
121.10126	11.5
123.04424	1.0
123.08036	1.5
123.11716	4.8
125.09643	1.8
128.06154	2.3
129.07008	3.8
130.07838	1.5
131.08543	11.3
133.10120	15.9
135.08022	1.2
135.11671	7.3
136.47667	0.9
137.09590	2.0
137.13228	1.2
141.06969	1.4
142.07770	3.0
143.08553	7.5
144.09343	1.4
145.10098	13.5
147.08029	1.1
147.11650	6.6
149.09602	2.1
149.13239	2.1
151.11183	1.0
154.07773	1.1
155.08574	3.3
156.09322	3.0
157.10094	9.4
157.11063	0.9
158.10869	1.7
159.11720	6.4
161.13260	2.9
163.11180	2.1
163.14865	1.1
167.08598	1.4
168.09375	1.1
169.10121	6.0
170.10895	2.0
171.11650	7.4
173.09621	1.2
173.13223	5.8
175.11180	1.8
175.14828	3.9
179.08549	2.0
180.09358	2.1
181.10101	3.4
182.10892	1.6
183.11653	6.8
185.13228	4.6
187.14824	3.2
193.10191	3.5
193.12294	5.7
194.10886	2.1
195.11674	5.3
196.12459	2.2
197.13196	4.9
199.14771	5.0
201.16368	1.5
206.10945	1.5
207.11697	4.2
208.12474	1.8
209.13284	4.4
211.13039	5.3
211.14894	3.6
213.16302	2.0
215.14445	1.1
219.11771	2.6
220.12675	1.4
221.13350	4.5
222.14058	1.5
223.14861	3.3
225.16412	2.4
227.12820	2.8
231.11688	1.1
232.12489	1.2
233.13289	3.1
235.14894	3.4
237.16451	2.8
239.17947	2.0
245.13373	1.8
246.14133	2.0
247.14769	2.1
249.16423	1.0
251.18073	3.0
253.19604	1.1
259.14828	2.1
261.16364	1.5
263.17914	1.8
263.23672	1.2
265.19504	2.8
267.15857	4.4
273.16589	1.8
277.19687	2.8
283.14883	1.4
285.16455	1.6
287.17984	1.3
289.19485	1.1
296.15735	1.5
297.16318	1.3
309.16205	1.1
313.19647	1.1
315.21094	1.7
316.78210	1.1
325.19662	1.4
333.16135	1.2
335.25775	1.2
337.27402	1.7
341.22681	2.2
385.25595	1.2
407.26993	1.5
437.34097	1.5
447.31482	1.1
455.35028	1.7
473.36493	1.4
491.32889	2.6
503.37567	1.4
529.38727	17.7
547.39600	100.0
548.39734	2.6
566.90985	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	1.8
53.03933	5.2
53.76023	1.8
55.01659	1.7
55.01865	21.4
55.05259	2.6
55.05499	36.8
57.03426	18.6
57.07067	2.6
63.23462	1.9
65.03924	5.0
67.05494	95.1
69.03418	4.8
69.07055	37.5
69.40995	13.0
69.41407	3.4
71.01336	3.4
71.04981	12.9
75.27387	1.7
78.48229	1.5
79.05478	88.9
81.03403	12.3
81.07040	91.8
82.07368	2.6
83.04971	15.2
83.08605	18.3
85.02884	3.1
85.06521	6.9
91.05463	66.1
93.07027	81.6
95.04963	19.3
95.08595	44.7
97.06514	34.4
97.10152	16.1
97.29675	1.6
98.20763	3.1
99.04433	3.1
99.08066	4.5
103.05424	2.2
105.07009	58.0
106.07404	2.0
107.04942	23.9
107.08578	62.4
109.06487	12.4
109.10134	27.1
111.08052	5.2
114.69071	1.8
115.05504	1.9
115.14169	2.0
117.06986	21.9
119.08559	41.2
119.09341	3.3
121.06496	8.0
121.10124	29.9
123.08023	9.4
123.11692	7.8
125.09599	11.4
127.07507	1.9
129.06960	6.4
130.07744	2.1
131.08548	21.7
133.06488	3.8
133.10103	35.7
135.08014	9.3
135.10669	3.6
135.11670	50.0
137.09595	6.4
141.06978	2.3
143.08549	6.7
145.06412	2.4
145.10094	30.9
147.07997	2.7
147.11668	24.4
149.09592	32.5
149.13271	6.2
151.11127	4.5
153.09009	2.3
155.08572	3.7
157.10114	6.7
159.11670	18.5
161.05956	2.3
161.09586	2.7
161.13226	5.5
163.11145	19.1
165.12735	6.6
168.09264	1.8
169.10039	4.0
171.11661	6.2
173.09666	2.2
173.11838	2.7
173.13164	8.7
175.11116	3.3
175.14787	4.0
177.12753	6.0
179.14265	3.2
181.12192	14.3
183.11681	6.4
185.13232	3.0
187.11110	2.8
187.14821	3.2
189.11194	6.8
193.12154	2.5
197.13246	4.1
199.14868	2.6
203.14217	2.9
205.15826	2.5
215.14330	2.3
215.18039	2.0
227.12709	16.3
229.19473	3.4
239.17995	3.1
247.20535	6.2
253.14288	5.2
255.13239	3.9
255.15877	67.1
257.18942	15.1
259.20517	2.5
267.15826	5.7
268.16016	2.5
273.18451	2.5
275.20007	100.0
293.21262	9.7
301.14328	3.3
349.23645	39.0
351.21796	2.3
425.25372	6.8
433.29123	3.8
437.30209	2.9
449.28653	4.8
454.28674	4.4
455.31421	2.1
462.29132	3.3
465.28568	3.6
511.34106	7.3
512.32959	4.5
529.28271	3.0
529.35181	65.3
547.28455	3.4
547.36133	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2142
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
55.05499	0.3
57.03404	0.3
58.20319	0.3
58.43801	0.3
67.05490	0.8
69.03433	0.7
69.07052	0.3
71.04976	0.6
71.62180	0.4
78.97704	0.3
79.05486	0.7
81.03411	0.5
81.07053	0.8
83.04952	0.3
85.02878	0.8
85.06530	0.4
91.05493	0.5
92.39556	0.2
92.76822	0.3
93.07018	1.0
95.04975	0.4
95.08588	0.8
97.02888	0.6
97.06504	0.4
99.04459	0.5
103.05431	0.3
105.07026	1.0
105.55551	0.3
107.04961	0.5
107.08567	1.1
109.02825	0.3
109.06493	0.7
109.10128	0.6
119.08537	0.7
121.06467	0.4
121.10116	0.7
123.04417	0.3
123.11732	0.3
125.05949	0.3
125.09560	0.4
127.03894	0.4
131.04964	0.3
131.08546	0.4
133.06480	0.4
133.10126	0.6
135.04427	0.5
135.08025	0.5
135.11653	0.5
137.05963	2.2
137.09625	0.3
145.10098	0.5
147.11613	0.5
159.04161	2.3
161.05942	0.4
163.03893	0.8
167.07014	0.9
179.03450	0.4
181.04974	1.2
191.07077	0.3
191.14435	0.4
233.07849	0.4
308.99237	0.3
335.10873	1.6
350.13278	4.6
360.44345	0.3
385.12930	0.6
401.15585	0.7
547.21442	100.0
548.21582	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
53.73189	1.0
55.01859	3.9
55.05502	14.9
57.03429	15.4
57.07050	2.2
57.14956	1.1
65.03925	1.9
67.05492	43.3
68.05808	1.6
69.03417	2.9
69.07058	13.9
69.59471	10.4
71.04982	6.3
72.39392	1.1
79.05479	27.6
80.05811	1.7
81.03403	55.8
81.07039	50.3
82.07374	3.4
82.63215	1.2
83.04943	6.0
83.08130	1.9
83.08600	21.1
85.02914	1.3
85.06536	3.7
87.55401	1.1
91.05467	21.6
92.05773	2.1
93.07027	40.7
94.07336	1.9
95.04942	18.9
95.08591	15.8
97.06512	8.7
97.10154	5.8
99.04430	1.3
99.08092	2.7
105.07013	19.1
106.07316	1.9
107.04930	5.3
107.08572	23.1
108.08917	1.5
109.06489	4.1
109.10135	8.8
111.08041	9.4
115.05399	1.7
117.06977	7.5
118.07277	1.6
119.08553	12.9
121.06478	3.1
121.10110	12.8
123.08044	2.5
123.11719	2.6
123.19990	1.3
128.06168	1.6
129.06987	4.9
131.08525	10.7
132.08864	1.4
133.06451	2.4
133.10094	11.6
134.10443	2.1
135.08055	2.5
135.11655	7.2
142.07762	1.7
143.08615	1.5
145.06462	1.7
145.10098	4.5
147.08037	3.4
147.11668	6.7
149.09612	5.2
149.13231	16.2
151.11162	1.8
157.10110	6.9
158.10378	1.4
159.11687	8.5
160.12041	1.6
161.05942	1.8
161.09622	1.2
163.11191	2.9
165.12682	1.4
171.11613	1.5
173.11795	1.9
173.13217	1.3
175.11157	5.5
177.12717	2.7
185.13091	1.5
193.12206	15.8
195.13805	4.3
211.13242	3.8
215.80421	1.4
229.13979	1.2
249.14726	2.1
255.15848	1.2
267.15866	62.5
268.16095	2.7
269.17422	63.4
275.19958	1.5
285.16776	1.8
291.19312	2.0
292.19858	1.6
301.14200	3.4
340.22644	1.4
435.27274	5.3
443.28033	2.3
453.28378	3.8
461.28903	100.0
462.29459	5.9
474.01077	1.5
479.30328	2.9
511.32819	2.6
528.37122	4.3
529.34766	2.3
546.27252	1.7
546.35828	7.1
547.28638	2.8
547.36426	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01857	2.9
55.05267	1.5
55.05509	22.4
57.03431	14.2
57.07049	2.9
59.04985	2.6
65.03951	3.1
67.05495	71.3
69.03419	6.1
69.07061	14.7
69.46655	6.0
69.47090	6.1
71.04982	31.8
73.02881	1.8
79.05482	34.9
81.03410	38.9
81.07045	100.0
82.07389	2.1
83.04971	15.3
83.08610	23.2
85.02893	19.7
85.06534	8.9
91.05470	49.3
93.07028	32.4
95.04964	21.9
95.08592	18.9
97.02895	2.5
97.06508	7.3
97.10149	3.8
99.08058	2.9
105.07018	31.6
107.04937	7.4
107.08578	18.7
109.06479	6.8
109.10139	17.3
110.08017	1.5
111.04441	2.4
111.08082	9.7
113.06016	4.7
117.07012	6.5
119.08572	18.9
120.08974	1.5
121.06506	1.9
121.10125	15.8
123.08079	3.7
123.11674	14.8
125.09622	3.5
129.06961	7.7
131.08554	13.2
132.08913	1.5
133.06485	3.2
133.10106	28.9
135.08130	2.3
135.11684	7.2
137.09644	2.9
142.07716	1.9
145.06412	1.9
145.10138	4.5
147.08014	3.6
147.11676	15.8
149.09666	7.3
149.10738	1.4
149.13228	8.3
151.11183	8.4
157.10106	12.9
159.11690	6.1
163.11151	3.0
165.12669	2.7
169.10104	1.6
173.11693	2.1
175.11101	8.3
177.12802	3.2
183.13840	3.9
187.13277	5.0
193.12213	28.0
193.13852	2.7
195.13799	2.4
211.13284	37.1
225.14882	3.8
229.14307	4.6
243.15959	4.6
249.14818	1.9
257.17441	1.9
267.15854	14.2
269.17453	9.6
285.16913	34.1
301.14340	4.1
301.20023	31.3
374.30692	2.7
405.29947	2.0
417.26111	3.0
435.27347	31.5
453.28439	89.6
454.28790	3.2
461.28964	24.6
467.30051	13.1
479.29895	31.7
493.31580	3.2
511.32715	40.9
518.06512	1.8
529.36353	1.8
546.37756	2.5
547.20807	1.9
547.28888	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
57.03415	0.4
61.02912	0.4
69.03417	3.8
71.53427	0.4
71.53757	0.4
76.07590	0.3
79.01837	2.0
81.03408	5.7
85.02890	2.4
91.05474	0.5
97.02879	5.5
99.04454	0.8
107.01279	1.0
109.02866	5.7
123.86903	0.3
125.02338	2.8
127.03905	6.5
137.05946	2.8
137.09784	0.4
142.64407	0.4
143.03389	4.1
145.04942	1.7
147.04408	1.3
153.01804	100.0
154.02116	0.7
171.02858	15.2
177.05440	0.7
179.06975	0.5
191.06960	0.6
203.07056	0.4
229.08583	1.3
233.08034	3.0
244.83533	0.4
257.07925	1.7
275.09079	1.0
293.10043	0.9
297.06000	12.6
297.09399	0.6
315.07053	23.3
463.12225	0.6
546.25903	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01858	17.3
55.05502	31.9
57.03427	31.4
57.07061	2.4
59.05000	2.6
62.06078	10.3
65.03938	1.9
67.05492	48.7
67.26724	1.8
69.03411	9.0
69.07055	12.9
70.04190	2.1
70.17028	4.7
70.17432	8.0
70.57684	2.0
71.01333	2.1
71.04965	7.2
71.81297	1.8
72.91324	1.9
73.02885	6.0
79.05486	46.5
81.03405	97.3
81.07046	47.0
82.03713	2.4
82.04180	7.3
83.04978	30.9
83.08607	34.2
85.02894	25.6
85.06519	5.3
85.27606	2.1
91.05465	49.5
91.06007	4.2
93.07030	36.8
95.04951	48.2
95.08589	22.5
97.02883	5.5
97.06521	10.4
97.10152	15.6
98.07301	5.3
99.08051	2.4
101.06021	2.4
105.07021	37.2
105.07681	4.1
107.04943	12.8
107.08574	19.4
109.06511	9.5
109.10130	14.0
111.04416	6.2
111.08074	13.3
113.06004	3.6
116.04709	14.7
117.06995	4.8
119.08567	35.3
121.06476	3.5
121.10115	19.0
123.08038	8.4
123.11649	3.4
125.09620	20.7
129.05463	38.8
129.06963	15.9
129.07848	3.0
131.08530	18.1
133.04930	2.3
133.06451	4.5
133.10101	25.5
135.08060	4.2
135.11653	7.6
137.09608	4.3
142.07724	2.8
143.07018	8.0
145.04944	2.3
145.10095	8.5
147.08034	4.4
147.11670	23.2
149.09584	8.5
153.09142	2.1
153.12605	2.5
157.08585	16.7
157.10112	20.0
161.13133	2.5
163.11159	8.7
165.12733	6.5
171.06557	2.5
171.10167	6.3
173.11729	2.2
175.11160	25.0
176.11581	2.1
181.12112	2.6
183.19550	2.4
189.11168	12.7
191.10527	3.6
193.10411	2.6
193.12209	77.2
199.13287	12.6
209.11737	6.7
211.13257	100.0
227.12759	16.2
227.44879	2.1
255.15817	3.9
267.15875	29.6
273.21469	2.4
283.15393	8.2
285.16925	90.4
301.16422	98.1
335.80539	2.1
339.17911	2.9
382.27289	2.8
405.29938	3.9
439.26724	3.6
459.26993	3.0
475.26996	2.9
476.27554	3.5
490.79712	2.3
493.27777	15.8
494.28824	6.2
511.28979	56.8
546.38165	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	546.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
61.02915	0.4
69.03426	2.8
70.06581	1.1
70.86276	0.8
70.86671	0.9
71.04955	0.8
74.79249	0.4
79.01825	1.5
81.03403	7.0
85.02897	3.0
97.02876	6.2
99.04443	1.2
104.41412	0.4
107.01298	0.6
109.02857	4.5
111.93098	0.4
119.04972	0.5
120.59035	0.4
125.02355	2.9
127.03907	7.2
131.41595	0.4
137.05969	1.7
143.03389	4.0
145.04930	1.7
147.04405	0.7
153.01808	100.0
154.02164	1.4
167.59552	0.4
171.02855	14.7
187.82047	0.4
229.08640	0.8
233.08049	1.7
253.78506	0.4
257.07965	0.8
275.08911	0.5
279.05035	0.5
293.10126	0.8
297.06003	11.2
315.07034	24.0
346.27713	0.5
546.26953	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.01868	5.2
55.05502	29.0
57.03431	10.0
57.07069	5.8
59.04991	1.1
61.31848	1.0
65.03924	1.8
67.05494	62.1
68.05831	1.1
69.03429	2.4
69.06714	1.7
69.07059	20.5
71.04988	2.8
71.08615	1.4
71.54485	1.8
79.05484	46.1
80.05842	1.4
81.03404	18.5
81.07045	61.6
82.49969	0.9
83.04969	6.5
83.08604	20.6
85.02902	2.8
85.06544	3.6
85.10208	0.9
90.22957	1.0
91.05463	36.0
91.05994	2.2
93.07033	46.1
93.07620	2.3
94.07367	1.2
95.04959	19.0
95.08590	36.9
96.05322	1.1
97.06499	8.7
97.10152	16.1
99.08090	3.7
103.05460	1.1
105.07018	35.3
106.07370	0.9
107.04934	5.8
107.08576	32.3
109.06510	4.2
109.10139	23.2
109.10818	1.9
111.08086	5.8
113.06017	1.8
113.09647	1.2
115.05479	1.6
117.07006	17.3
119.08560	33.1
120.08955	1.2
121.06446	6.6
121.10120	21.7
121.10902	1.8
121.15187	1.0
123.08064	4.6
123.11730	7.3
125.09611	10.3
128.06302	2.7
129.06990	13.7
130.07799	1.2
131.08546	32.7
133.06509	2.9
133.10112	28.1
135.07994	4.9
135.11665	14.4
137.09641	4.1
137.13226	1.2
139.11179	2.2
141.06989	3.9
142.07748	2.9
143.08536	15.6
144.09358	1.8
145.06461	2.6
145.10098	28.4
147.08041	3.5
147.11673	19.5
149.09621	4.6
149.13245	8.6
151.11203	2.3
155.08545	8.6
157.06462	1.1
157.10098	16.6
158.10794	1.5
159.08022	2.5
159.11667	21.5
159.12840	1.7
161.09633	2.7
161.13240	9.0
163.11201	4.1
163.14821	3.3
165.12752	1.7
167.08586	2.4
169.10123	9.1
170.10954	1.3
171.08025	1.8
171.11653	12.5
173.09659	2.0
173.11830	1.9
173.13220	13.4
175.11218	4.5
175.14845	4.5
177.12737	3.2
179.08653	1.3
181.10118	3.3
183.11656	8.1
185.13229	10.5
187.11192	1.5
187.14825	5.0
189.11253	4.5
189.12767	2.1
189.16360	2.6
193.10426	2.0
193.12292	6.9
195.11699	3.7
195.13799	1.6
197.13284	6.6
199.14835	8.4
201.12752	1.5
201.16374	3.9
203.17902	1.4
209.13402	2.6
211.13129	1.9
211.14862	4.3
213.16423	3.5
219.17534	1.0
222.14095	1.1
223.14827	1.5
225.16423	2.3
227.12654	6.1
227.17950	2.4
229.14333	1.1
231.17577	1.4
237.16510	1.5
239.18037	2.3
241.19601	3.8
243.21078	5.0
247.11220	1.2
247.17014	1.2
249.16458	1.2
253.14328	1.9
257.18991	1.5
259.20602	7.3
261.19183	1.8
261.22122	12.5
267.15817	18.8
267.20993	1.6
269.17520	3.4
273.18536	2.0
275.20129	3.2
279.23297	3.3
285.22192	3.4
287.20255	1.6
297.22086	2.5
299.23740	3.4
301.25220	9.3
303.23254	3.0
311.23627	2.0
315.23438	1.5
317.24860	2.7
327.23001	2.0
329.24780	1.3
333.24408	4.2
335.25818	12.2
337.25040	1.6
341.24707	2.2
355.26453	1.4
359.25876	2.6
373.27634	1.3
405.31171	1.1
407.33282	2.2
417.31601	4.1
421.25742	1.7
423.32663	2.3
425.34290	2.6
435.32660	13.2
453.33701	16.9
471.34625	12.5
491.35355	2.3
499.37961	2.1
507.74164	1.2
509.35947	6.4
515.37354	2.9
517.38757	12.8
527.37262	83.6
528.37793	3.5
545.38336	100.0
546.38715	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	545.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01857	3.0
55.05256	1.0
55.05504	15.8
57.03431	6.5
57.07069	1.7
65.03923	2.4
65.25763	0.7
65.93428	0.6
67.05495	31.6
69.03411	2.4
69.07056	7.6
70.78567	1.3
70.78942	1.2
71.04989	4.1
71.05315	0.7
77.03918	1.0
79.05483	27.9
81.03407	28.4
81.07045	35.1
81.63558	0.7
83.04971	6.1
83.08604	14.0
85.02895	12.7
85.06530	1.8
87.04431	0.6
87.90929	0.7
91.04885	0.8
91.05468	23.2
93.07033	30.5
95.04358	1.1
95.04953	14.3
95.08592	20.2
97.02843	1.4
97.06515	3.9
97.10139	5.8
99.08052	1.1
104.78525	0.6
105.04503	1.0
105.07014	16.4
107.04937	3.4
107.08584	13.7
109.05846	0.6
109.06490	3.4
109.10143	6.8
111.04478	0.9
111.08069	5.4
113.06022	0.8
115.05422	1.4
117.07001	5.2
119.08567	14.8
121.06495	1.5
121.10120	14.6
123.08085	2.0
123.11700	3.6
125.09625	2.5
129.06972	5.7
131.08549	11.2
133.06487	1.5
133.10107	10.1
135.11671	7.9
137.09607	1.6
143.08540	1.1
145.10101	6.0
147.11665	11.4
149.09595	3.5
149.13252	3.2
155.08574	1.7
157.10101	7.6
159.11678	4.3
161.13249	3.1
163.99290	0.8
165.12755	1.7
169.10207	1.0
171.11687	1.3
173.13219	4.1
175.11171	6.9
175.14836	1.7
183.11687	1.7
185.13293	0.9
187.14935	1.4
189.11220	1.4
191.34625	0.8
193.12216	25.5
199.14903	1.0
201.16389	1.0
211.13266	34.9
227.12811	2.1
243.21034	1.1
248.82875	0.7
261.22104	3.8
267.15842	5.8
299.57364	0.8
301.25305	2.5
303.23251	0.9
317.24832	1.4
335.25705	2.4
417.31558	1.0
435.32520	2.6
453.33591	3.2
471.34641	2.1
509.36310	2.2
527.37213	16.3
545.38312	100.0
546.38440	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
51.43513	0.7
51.66750	0.6
51.77156	0.6
53.03941	3.2
55.01857	2.3
55.05503	16.7
55.21035	0.6
57.03427	6.8
57.07064	1.7
65.03919	1.8
67.05494	39.7
69.03414	2.8
69.07056	11.0
71.04992	4.7
71.07230	1.3
79.05482	40.8
81.03407	30.0
81.07044	35.3
83.04974	5.5
83.08608	13.3
85.02893	14.5
85.03411	0.7
85.06535	2.0
91.05470	30.1
93.07032	37.6
95.04956	17.8
95.08590	24.1
97.02879	1.6
97.06519	3.5
97.10126	4.8
99.08096	0.9
103.05452	0.6
105.04467	1.1
105.07013	22.6
107.04924	4.0
107.08579	15.7
109.06512	2.9
109.10137	9.8
111.04419	1.0
111.08076	6.3
113.06010	2.1
115.05394	1.1
117.06995	6.1
119.08560	18.1
121.06488	2.2
121.10130	15.2
123.08073	2.2
123.11673	3.0
125.09598	3.5
129.06976	7.0
131.08554	12.3
133.06456	0.8
133.10106	9.6
135.11673	9.0
135.33318	0.7
137.09644	1.1
139.11203	1.0
142.07751	1.9
143.08540	1.5
145.10112	5.9
147.07924	1.5
147.11673	9.5
149.09616	2.6
149.13257	2.8
151.11182	1.0
157.10110	7.7
159.11639	3.7
161.13228	3.0
163.11218	0.7
163.14854	0.9
165.12717	1.2
171.11671	1.8
173.13234	2.9
175.11156	7.0
175.14873	1.8
183.11699	1.1
185.13278	1.1
187.14801	1.8
189.11163	1.4
193.12218	26.4
197.13217	0.7
199.14780	1.0
211.13255	31.2
227.12756	1.9
243.21071	0.9
250.24509	0.6
261.22073	5.2
267.15820	5.4
285.17007	0.9
285.22067	0.9
299.23810	0.8
301.25302	2.8
317.24911	1.3
335.25650	4.1
359.25369	0.6
417.31436	0.9
435.32770	1.9
453.33560	3.4
471.34518	2.0
509.36154	0.8
527.37274	15.3
528.37744	0.8
545.38300	100.0
546.38574	5.9
558.81396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01858	2.3
55.05500	15.2
57.03424	5.8
57.07045	1.2
65.03922	1.6
67.05490	32.3
69.03405	1.7
69.07058	8.7
69.55150	4.9
71.04987	2.9
78.55613	0.6
79.05476	30.7
81.03403	23.0
81.07041	31.4
82.62729	0.7
83.04972	4.1
83.08599	10.8
85.02406	1.1
85.02890	12.8
85.06517	1.6
91.05463	22.7
93.07024	29.3
95.04949	13.4
95.08587	19.0
97.02859	1.0
97.06506	2.8
97.10147	4.6
99.08067	1.0
105.04537	0.7
105.07006	17.6
107.04926	2.7
107.08578	14.3
109.06487	2.9
109.10141	8.5
109.67345	0.6
111.04487	0.6
111.08054	5.3
113.05978	1.2
114.94847	0.6
115.05426	1.1
117.06987	4.8
119.08555	14.6
121.06461	1.2
121.10114	14.0
121.62812	0.6
123.08056	2.0
123.11691	3.2
125.09582	3.4
128.06151	0.6
129.06993	4.9
131.08542	11.5
133.06497	1.0
133.10098	8.3
135.08041	1.5
135.11665	7.3
137.09590	1.4
142.07750	1.7
143.08521	2.3
145.10091	6.1
147.08014	1.6
147.11667	9.5
149.09581	2.9
149.13235	2.7
151.11148	0.6
155.08557	0.7
157.10089	5.8
159.11627	5.0
161.13239	2.7
163.11151	0.7
163.14743	1.0
165.12723	1.0
169.10092	1.9
171.11681	2.1
173.13213	4.6
175.11157	6.1
175.14784	1.7
177.12695	0.7
177.16296	0.6
183.11604	1.2
185.13249	1.3
187.14813	2.3
189.11148	1.7
189.16306	0.9
193.10434	1.6
193.12196	24.2
197.13277	0.7
199.14821	0.9
201.16423	0.7
211.13234	30.9
223.14812	0.6
227.12663	3.7
243.21037	1.1
261.22092	3.4
267.15900	6.4
285.22037	1.3
301.25266	3.6
303.23306	0.9
327.22751	0.7
335.25769	4.4
359.25787	0.9
419.61942	0.7
435.32526	3.1
453.33472	3.4
471.34814	2.8
509.36292	1.2
527.37213	19.8
545.38263	100.0
546.38428	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	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.6
53.03943	3.9
53.43295	0.6
53.99374	0.6
55.01854	2.4
55.05503	16.6
55.71967	0.5
57.03434	6.3
57.07063	1.7
59.04998	0.8
65.03923	1.8
67.05497	39.3
69.03417	2.8
69.07061	9.7
69.67635	4.7
71.04991	3.9
79.05485	38.9
81.03410	29.0
81.07049	39.0
83.04965	6.6
83.08614	14.4
85.02893	15.3
85.06557	1.4
91.05472	29.2
93.07034	36.4
95.04957	15.5
95.08594	20.9
97.02876	1.5
97.06528	2.5
97.10159	4.1
99.08105	1.5
102.95764	0.7
105.04533	0.7
105.07022	23.4
107.04947	4.2
107.07859	0.9
107.08585	17.9
109.06474	3.0
109.10136	10.2
111.04458	1.1
111.08078	6.9
113.05977	1.3
115.05411	1.3
117.07026	5.2
119.08569	16.7
121.06501	1.2
121.10129	17.9
123.08062	2.6
123.11665	3.5
125.05989	0.9
125.09570	3.2
129.06985	7.5
131.08556	12.1
133.06476	1.8
133.10123	11.5
135.08069	0.8
135.11679	7.3
137.09605	1.7
137.13243	0.7
142.07751	1.5
143.08551	1.9
145.10092	6.4
147.08006	1.2
147.11678	9.7
149.09589	3.1
149.13217	2.8
153.12660	0.7
155.08595	1.2
157.10127	8.8
159.02431	0.6
159.11635	3.9
161.13263	2.7
163.11238	0.8
163.14799	1.4
165.12790	1.0
169.10124	1.4
171.11687	1.6
173.13234	3.8
175.11177	6.2
175.14769	1.6
183.11664	0.8
185.13269	1.5
187.14813	1.8
189.11197	1.7
193.12225	28.3
197.13130	0.8
199.14847	1.1
201.16296	1.0
209.13300	0.7
209.87560	0.6
211.13266	31.2
215.14250	0.6
227.12778	2.3
243.21103	1.6
261.22232	5.0
267.15811	5.1
273.18622	0.6
278.06476	0.6
285.22183	1.0
299.23599	0.8
301.25284	3.4
303.23178	1.4
317.24857	1.3
335.25754	4.7
349.37607	0.6
359.25827	1.0
417.31604	0.7
421.25690	0.7
435.32590	2.0
453.33743	3.1
471.34665	2.5
527.37238	14.0
545.38306	100.0
546.38611	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	545.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57974	0.4
55.01847	1.1
56.96546	1.1
57.03430	3.3
61.02911	1.1
69.03079	0.4
69.03424	7.8
69.62785	0.6
69.63129	3.6
70.06573	0.8
71.04984	1.2
73.02903	1.6
74.43852	0.4
77.00903	1.0
81.03400	2.3
82.99861	1.2
83.04955	0.7
84.04485	0.7
85.02898	15.7
86.03236	0.6
87.04436	1.1
91.03941	0.5
91.05463	0.6
94.99886	0.5
95.04961	0.4
97.02883	6.9
97.33519	0.4
98.03196	0.5
98.21482	0.5
98.97569	2.9
99.04427	1.8
101.00859	4.9
103.00661	0.6
103.02393	0.4
107.04935	1.3
109.02857	2.4
113.00860	0.7
115.03923	0.9
116.98589	1.8
118.00237	0.7
119.01911	21.7
119.04926	0.8
120.02028	1.3
121.01632	1.9
123.01408	0.7
123.04382	0.8
127.00760	0.5
127.02403	0.9
127.03911	7.3
128.98576	1.0
129.03976	0.7
130.00298	0.7
131.01886	6.5
132.01840	1.0
133.01613	0.6
133.03517	3.2
134.99547	0.7
135.03169	1.5
137.01962	1.0
137.02922	4.5
137.06013	1.1
139.00739	1.9
139.02533	0.5
139.03828	0.7
139.50851	0.6
141.04007	0.5
143.01880	16.3
144.01909	1.0
145.00771	3.2
145.03432	10.5
145.04929	5.5
145.50807	1.9
146.00749	0.5
146.03596	0.5
146.99599	0.7
147.01353	0.9
147.03149	1.1
147.05067	1.4
148.01271	0.9
149.01144	0.8
149.02940	2.2
149.04729	0.8
151.00749	1.5
151.50879	1.2
153.01784	5.4
153.03983	0.5
154.01286	0.7
155.00784	0.7
155.01891	9.4
157.03453	10.5
158.99609	1.5
159.01350	0.7
159.03258	0.6
159.04968	1.3
160.01277	1.3
160.51340	1.5
161.01469	1.0
161.02943	26.6
162.03146	1.0
163.02701	1.0
163.04684	2.4
163.05771	0.6
166.01282	1.6
166.51451	1.5
167.01920	5.4
168.01164	0.4
169.01848	1.6
169.03442	3.3
169.51822	0.8
170.01628	0.7
171.01323	0.7
171.03065	0.9
171.04987	4.9
172.01183	0.5
172.05141	1.1
172.51427	0.8
173.01404	1.1
173.02942	20.9
173.04745	4.8
174.03061	1.6
175.00761	0.6
175.02763	1.4
175.04489	10.5
175.06078	0.6
177.00681	1.7
177.02438	3.2
177.03883	0.7
177.05989	0.4
177.52087	0.6
179.01875	2.1
181.01764	1.7
181.03319	0.7
181.51947	0.8
182.01854	1.5
183.01492	0.5
183.05058	1.2
184.04578	1.7
185.02933	35.1
186.03056	0.8
187.01804	0.7
187.04478	5.5
187.06075	0.9
187.51877	0.8
189.00703	0.9
189.02473	1.1
189.04276	1.0
189.06059	1.8
190.02386	1.5
190.04060	0.4
190.52443	1.3
191.02240	1.0
191.03934	1.5
191.05820	2.2
193.00099	1.5
195.03369	0.5
195.05173	0.5
196.02374	1.5
196.04512	0.7
196.52406	0.9
197.02943	13.7
198.03233	0.7
198.06078	0.7
199.02840	0.6
199.04477	2.6
201.00757	0.5
201.06091	1.5
202.02388	1.3
202.04855	0.6
202.52383	1.6
202.57413	1.3
203.02374	0.9
203.03981	15.0
203.05380	0.5
203.07506	0.5
203.54015	0.8
204.04170	1.3
205.03795	0.6
205.05595	0.5
205.14168	0.5
207.07211	0.6
207.53191	0.7
208.04506	1.2
209.01135	0.7
209.02950	1.4
209.04904	0.5
209.06874	1.8
211.00882	1.0
211.02843	2.4
211.04594	0.8
211.52997	1.3
211.57832	1.0
212.02766	1.3
212.07956	0.7
212.58289	0.5
213.04230	0.9
215.03995	8.9
217.05542	1.5
219.01775	1.5
219.07162	0.7
221.05022	3.5
223.04706	1.1
224.07092	1.0
224.57185	0.5
226.08258	0.5
227.03996	8.3
227.07968	1.5
231.03590	0.9
231.06860	1.2
232.03387	2.5
232.53517	4.4
233.03171	2.4
237.02754	1.5
239.03984	1.2
245.05046	100.0
246.05293	3.4
247.04518	2.2
248.04854	0.4
249.08289	1.0
251.07967	3.3
253.01758	0.8
257.05011	6.3
259.02267	0.6
259.06757	0.8
260.09735	2.3
261.04575	0.8
261.08118	0.7
262.04327	0.5
262.54449	0.7
263.00787	1.1
263.06076	27.7
264.06281	0.5
265.09494	1.1
273.08127	1.5
275.05984	13.6
277.03452	1.3
279.03650	0.9
281.07227	3.6
283.55157	1.2
284.04987	0.7
284.56732	0.7
285.08224	1.0
286.07819	2.6
287.08264	1.0
291.09341	0.7
292.05496	1.4
292.55621	1.5
292.60693	1.3
293.07141	4.7
293.09595	0.5
293.10287	0.7
302.10886	0.7
303.01331	2.8
305.07169	14.0
305.10223	0.6
307.08694	0.9
307.61426	0.6
317.06955	0.8
321.10422	2.9
323.08298	2.0
335.08124	6.4
335.11566	0.7
337.09830	0.7
339.09683	0.7
347.08200	4.7
351.07492	0.5
351.11212	3.2
352.11563	1.5
353.07523	0.6
353.11261	15.8
365.09265	46.8
366.09409	1.9
370.10074	0.5
371.08121	0.6
373.63452	1.9
374.12335	1.5
376.00293	0.5
381.06931	0.9
383.05151	0.6
383.10437	3.8
404.13980	0.9
406.11905	1.1
407.10147	0.6
425.11343	11.2
437.11395	1.5
447.13065	0.9
455.13272	0.7
485.11685	1.1
509.12967	0.8
527.14185	3.6
545.14429	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	544.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.05512	4.2
57.03427	1.1
57.06783	1.4
57.07069	30.1
59.05005	1.6
65.03915	0.8
67.05500	10.7
68.05826	1.4
69.07063	10.6
71.04964	1.1
71.08623	44.9
71.62540	1.2
73.06548	9.0
79.05485	7.8
80.05801	1.0
80.74862	0.7
81.03416	2.7
81.07053	10.4
82.07383	1.9
83.04953	1.3
83.08612	3.0
84.47046	0.7
87.04456	6.4
89.06020	100.0
91.05467	6.3
91.07597	1.0
92.05825	1.4
93.07037	7.6
94.07367	1.4
95.04958	2.1
95.08604	4.8
97.06506	2.6
97.10178	1.3
99.08099	0.8
105.07015	6.9
106.07368	0.8
107.04934	1.3
107.07072	3.8
107.08581	5.3
109.06493	0.8
109.10155	3.5
111.11790	0.7
113.13273	3.8
117.07013	2.2
117.09120	7.2
119.08549	4.6
121.10123	2.3
123.08028	1.1
125.09628	1.6
129.07014	1.0
130.08623	3.7
131.07045	2.4
131.08568	2.3
133.08591	49.5
133.10030	3.7
135.08051	1.1
135.11659	2.2
137.09683	0.7
143.08531	1.3
145.10112	2.5
146.10445	1.3
147.08034	1.0
147.11662	2.5
148.96823	0.8
149.09671	1.1
149.13191	1.0
150.09885	0.8
157.10118	1.8
157.15869	7.3
159.11684	2.1
161.11768	2.4
163.11172	1.4
171.11668	0.9
173.11751	1.4
175.09619	1.2
177.11200	23.8
183.11729	1.1
198.18581	2.3
201.18465	17.7
201.26729	0.8
221.13754	5.1
239.14906	1.6
245.21083	9.7
253.14316	1.2
265.16443	1.1
275.20181	2.3
276.20514	2.3
278.57587	0.8
283.14938	1.0
283.17535	2.6
327.20151	1.6
371.22476	1.2
400.79126	0.9
415.25333	5.0
451.27164	0.8
474.94086	0.9
477.28476	1.1
526.35931	2.4
527.37836	16.7
544.36896	15.2
545.37793	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.6
53.03931	4.0
55.01854	4.4
55.05503	26.2
57.03429	16.1
59.04984	3.0
60.52126	1.0
65.03914	1.7
67.05496	27.9
69.03420	5.3
69.07054	6.0
71.01316	1.1
71.04969	4.8
71.62531	1.3
71.75000	0.9
79.05047	1.7
79.05483	26.1
81.03408	57.7
81.07047	35.9
81.40718	1.0
83.04971	15.4
83.08605	31.2
84.60441	1.1
84.84417	1.0
85.02425	1.4
85.02895	19.1
85.06535	2.5
91.05470	43.0
93.06470	1.5
93.07038	25.5
95.04358	1.8
95.04952	22.5
95.08598	12.7
97.02865	6.3
97.06512	5.6
97.10148	3.0
99.00802	17.0
99.04411	1.5
99.08045	2.0
105.07017	30.1
107.04942	12.4
107.08591	12.7
109.02857	8.9
109.06509	7.7
109.10142	7.7
109.19189	1.0
111.04411	3.7
111.08060	11.7
113.05933	1.5
115.03874	2.9
115.05434	3.0
117.06982	3.6
119.04905	1.2
119.07775	1.9
119.08567	23.5
121.06467	8.7
121.10117	8.7
123.04445	1.3
123.08031	2.5
123.11682	3.8
125.09606	1.2
127.03880	3.6
127.07547	1.4
128.06216	2.6
129.06985	8.9
131.08560	9.9
133.06470	4.1
133.10115	41.9
135.08041	1.8
135.11658	2.4
137.05963	2.3
137.09584	4.9
137.13289	1.4
139.07547	2.0
142.07745	2.1
143.08542	4.9
145.10086	3.7
147.08035	3.4
147.11684	13.5
149.09595	6.3
151.11177	11.6
157.10123	10.8
161.09605	17.8
163.11108	2.6
165.12692	2.2
166.54082	1.0
171.08003	3.9
175.09689	1.7
175.11142	11.1
179.10666	10.5
189.09085	8.2
193.12221	40.6
197.11717	3.0
207.10138	3.2
211.13268	71.2
212.13763	1.4
225.11160	11.8
243.12204	3.8
267.15872	21.5
281.13745	5.5
285.16931	62.0
299.14862	100.0
300.15146	1.7
473.25122	1.1
474.19846	1.0
477.28137	1.4
484.34009	1.6
491.26337	16.6
509.27414	75.2
510.27625	2.7
544.36401	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	544.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
67.05481	1.8
69.03404	3.9
69.07052	2.1
69.82376	5.0
69.82793	1.7
70.06580	1.6
71.04980	1.3
73.02917	2.0
76.61502	1.0
79.05475	1.9
81.03395	4.3
81.07058	2.1
83.04958	1.0
84.05028	1.2
85.02902	6.7
91.05462	3.7
93.07041	1.3
95.04956	3.0
95.08593	2.9
95.99230	1.0
97.02879	4.7
97.97299	1.0
103.05460	20.3
105.07030	1.7
107.04964	2.0
107.08598	1.3
109.02862	2.8
109.06527	1.8
115.05396	1.2
119.04977	2.0
119.08581	2.7
121.02860	17.0
121.06503	2.0
122.03663	2.0
123.04414	3.5
127.03893	4.3
129.06993	1.7
131.04915	100.0
133.02769	1.5
135.04427	2.1
137.05960	76.7
138.06276	3.7
139.03899	5.1
140.07027	1.1
143.03455	1.3
145.04922	2.0
147.04404	30.6
147.07991	5.5
149.05949	5.1
150.06786	1.5
151.03885	14.2
151.07529	7.5
152.53070	1.0
152.88959	1.0
153.01819	16.2
154.02112	5.5
158.07585	1.1
161.05983	4.2
162.06734	4.4
163.07521	79.3
167.06985	6.0
171.02840	3.4
175.07510	19.3
175.14836	1.6
177.05443	3.2
179.06961	2.9
181.08522	5.8
185.15416	2.0
193.08589	28.1
209.08040	1.4
212.17293	1.3
225.07571	1.4
229.17902	1.1
251.06949	1.2
258.08713	1.2
265.06903	2.5
271.09540	2.7
281.11789	1.3
283.08051	3.3
286.48621	1.1
299.12732	5.2
315.06976	2.4
316.07477	2.3
317.13791	16.3
324.78256	1.1
347.14783	1.5
365.15829	2.8
390.55771	1.2
544.18884	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	543.3673
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
51.02363	0.4
53.03932	1.9
53.07985	0.4
55.01867	3.9
55.05502	16.7
55.51497	0.4
57.03424	2.8
57.07061	1.6
59.04977	1.0
65.03930	1.2
67.05495	26.0
68.05827	0.6
69.03429	2.1
69.07056	7.3
70.68647	0.9
70.69052	0.7
71.04978	1.6
71.08605	0.4
72.39061	0.4
75.53835	0.4
77.48646	0.3
79.05481	23.6
80.05792	0.5
81.03404	6.4
81.07043	23.4
82.07353	0.5
83.01336	0.8
83.04968	5.2
83.08604	7.7
83.09093	0.4
85.02895	1.5
85.06530	1.1
91.05464	18.3
92.05783	0.8
93.07030	23.1
94.07342	0.5
95.04958	7.2
95.08590	15.3
97.02879	0.5
97.06528	2.7
97.10158	9.9
99.04423	0.5
99.08083	0.6
103.05510	0.6
105.04515	0.7
105.07011	15.3
107.04939	3.4
107.08578	17.0
109.06522	2.6
109.10143	7.7
109.10852	0.2
111.04417	1.9
111.08060	2.0
115.05426	1.7
117.06996	11.2
118.07310	0.5
119.08566	11.7
121.06479	2.5
121.10130	8.8
123.08018	2.5
123.11680	2.2
125.09603	6.9
128.06207	1.5
129.06979	6.2
130.07776	1.4
131.04890	0.5
131.08545	13.0
133.06479	0.8
133.10114	8.9
135.08014	2.5
135.11653	7.9
137.09593	1.2
141.06996	1.6
142.07765	1.1
143.08551	6.1
145.06477	1.7
145.10106	12.1
147.08023	1.6
147.11676	6.0
148.12036	0.5
149.09604	1.8
149.13223	2.7
153.06978	0.5
153.09113	0.7
153.12738	1.8
154.07701	0.5
155.08534	4.5
157.06445	0.7
157.10101	6.1
159.08072	1.2
159.11668	8.3
159.12997	0.5
161.09596	1.3
161.13217	3.1
163.11143	5.2
163.14807	1.1
167.08537	1.1
168.09384	0.5
169.10104	3.3
171.08020	1.1
171.10188	0.7
171.11632	5.2
173.09598	2.6
173.11839	0.5
173.13251	5.8
175.11195	1.4
175.14821	1.3
177.12778	0.4
179.14293	0.4
181.10127	2.2
181.12144	1.9
183.11682	4.0
185.09634	1.1
185.13242	4.4
187.11183	1.2
187.14725	2.7
189.11224	4.1
189.12764	0.6
189.16473	0.5
191.10643	1.4
193.12210	1.7
195.11700	2.2
195.13751	0.6
197.13168	2.9
199.11143	1.2
199.13284	0.5
199.14819	3.2
201.12749	1.2
201.16357	1.1
203.18069	0.5
207.11674	0.7
209.11664	1.4
209.13277	1.3
211.13065	0.7
211.14798	1.7
213.12802	0.7
213.16341	1.0
221.13217	1.0
223.14766	1.1
225.16365	0.5
227.12733	7.6
227.14841	0.5
235.14795	0.7
241.15898	0.5
241.19533	1.1
243.15807	0.7
243.20999	0.6
247.16968	0.5
257.19006	0.6
259.20529	1.9
261.22107	1.7
265.14386	0.5
267.15814	2.1
271.17068	0.5
275.20120	0.9
277.21814	0.7
279.21265	0.5
281.22717	0.9
283.15335	0.5
283.20560	1.6
297.22025	1.2
299.20401	0.8
299.23657	6.3
301.21564	1.5
311.20023	0.5
315.23254	0.8
317.24750	1.1
325.21582	0.5
327.23074	0.8
333.24155	1.9
339.23230	1.1
343.22662	0.5
355.26459	0.9
357.23984	1.0
415.29944	1.5
423.32547	1.3
433.31012	4.9
451.32175	6.9
469.32932	4.0
487.34052	1.7
507.34479	1.2
515.37073	1.3
525.35687	16.6
526.36127	0.8
543.36737	100.0
544.37158	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	543.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01861	3.8
55.05499	18.7
57.03434	2.6
57.07052	2.1
59.04968	0.8
65.03922	1.8
67.05492	28.4
67.34511	0.4
68.15954	0.5
69.03407	1.6
69.07048	8.8
71.04967	2.3
71.07328	0.7
71.07660	1.1
71.08630	0.8
77.50198	0.5
79.05479	21.0
80.58748	0.5
81.03397	5.4
81.07041	24.9
83.04970	3.9
83.08604	10.4
85.02892	1.3
85.06532	1.4
89.99931	0.5
91.05466	15.9
93.07027	20.5
95.04945	7.6
95.08587	15.7
97.02848	1.0
97.06509	3.6
97.10152	11.0
99.08044	1.0
105.07008	17.3
107.04913	2.5
107.08580	13.5
109.06516	3.2
109.10134	7.9
111.04401	1.1
111.08065	2.1
115.05440	1.5
116.06206	0.8
117.06995	11.4
119.08556	13.1
121.06478	2.2
121.10120	8.3
123.08051	2.7
123.11678	2.4
125.05981	1.0
125.09602	8.8
128.06212	1.5
129.06984	6.0
130.07771	0.6
131.08542	14.4
133.06459	0.8
133.10123	9.8
135.07986	1.7
135.11670	6.9
137.09598	1.5
141.06979	2.0
142.07764	1.7
143.08533	7.2
145.06458	1.4
145.10089	12.2
147.07968	1.1
147.11644	6.1
149.09613	1.7
149.13245	2.3
151.11113	1.1
153.09084	1.0
153.12738	1.9
154.07762	0.8
155.08514	4.3
157.06412	0.7
157.10094	7.8
159.08063	1.9
159.11671	9.9
161.09651	1.1
161.13231	2.9
163.11143	5.1
167.08562	1.8
169.10098	6.2
171.11646	5.7
173.09662	1.8
173.11824	0.7
173.13213	6.9
175.14818	1.3
175.28215	0.6
181.10092	2.4
181.12201	0.9
183.11623	5.0
185.09581	1.1
185.13203	4.7
187.11188	1.0
187.13293	0.9
187.14827	2.5
189.11168	4.9
189.12688	0.9
191.10701	0.9
193.10223	0.7
193.12204	1.2
195.11676	2.4
197.13272	3.8
199.11270	0.9
199.14726	3.0
201.12732	1.0
201.16376	1.4
207.11714	0.8
209.11569	0.9
209.13274	1.8
211.13100	0.8
211.14793	1.7
213.12651	0.9
213.16400	1.0
215.14348	0.9
221.13226	1.4
223.14783	1.2
225.16377	1.7
227.12692	9.0
227.14507	0.7
237.16467	0.8
241.19460	1.0
243.15855	1.1
253.19685	0.8
257.19061	1.4
259.20615	1.6
261.22134	1.3
265.19687	0.8
267.16049	2.3
271.17288	0.5
271.20477	0.7
275.19998	3.6
281.19345	0.5
281.22632	1.1
283.20572	2.5
295.20541	0.7
297.22183	1.9
299.20337	1.0
299.23599	8.8
301.21582	1.4
309.22018	0.6
313.21613	1.2
315.23218	1.7
317.24973	0.8
321.21927	0.8
323.23389	1.0
325.21704	0.7
327.23428	0.6
331.22406	0.8
333.24295	1.3
339.23090	0.8
353.24323	1.0
355.26358	0.6
357.24265	1.4
398.25452	0.5
415.29865	1.7
423.32550	1.5
433.30814	5.9
434.08621	0.6
451.31973	9.2
469.33102	5.8
487.34308	1.4
499.34064	1.5
507.34940	0.8
515.37463	0.8
525.35602	19.3
526.35931	0.9
543.36719	100.0
544.37036	2.8
545.01001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.5
53.03931	1.8
55.01873	4.5
55.05503	17.2
57.03432	3.2
57.07061	2.0
58.87423	0.4
59.05003	0.9
65.03925	1.7
67.05496	28.4
67.22540	0.5
69.03418	2.3
69.07061	9.3
70.97426	0.7
70.97734	0.7
71.04965	1.8
79.05482	23.6
81.03401	6.1
81.07044	29.0
83.01317	0.7
83.04964	5.6
83.08601	9.5
85.02878	1.2
85.06531	1.6
91.04890	1.0
91.05466	20.9
93.07031	24.6
95.01369	0.6
95.04955	6.6
95.08594	17.8
97.06513	4.7
97.10155	9.3
99.04425	0.8
99.08057	1.0
103.05473	0.8
105.04527	0.7
105.07014	19.2
107.04936	3.8
107.08580	15.9
109.06503	2.6
109.10130	8.2
111.04420	1.7
111.08038	2.7
115.05406	1.0
116.06213	0.6
117.07002	9.5
119.08568	14.3
121.06481	2.6
121.10124	9.2
123.08055	2.4
123.11701	3.1
125.09612	6.8
128.06239	1.1
129.06995	5.9
130.07787	1.3
131.08548	13.5
131.26929	0.5
133.06488	1.2
133.10106	11.4
135.08058	2.4
135.11668	8.3
137.09659	1.1
141.06938	1.1
142.07784	1.0
143.08530	8.0
145.06534	2.2
145.10104	13.7
147.08057	1.4
147.11662	6.6
149.09605	1.6
149.13235	2.8
153.09079	0.9
153.12761	1.9
154.07883	0.6
155.08534	3.7
157.10110	7.7
159.08037	1.7
159.11687	9.9
161.09676	0.6
161.12112	0.5
161.13202	2.6
163.11157	6.4
169.10132	3.5
171.07999	0.7
171.11636	5.4
173.09641	2.1
173.11864	1.1
173.13216	5.8
175.11176	1.3
175.14850	1.3
177.12758	1.0
181.10089	1.5
181.12152	2.4
182.10832	0.7
183.11678	3.6
185.09680	1.4
185.13222	4.5
187.11165	1.7
187.13333	0.6
187.14803	2.7
189.11224	3.7
189.12779	1.0
191.10611	0.7
193.12154	1.1
195.11720	2.0
195.13712	0.6
197.13234	2.7
199.11229	0.9
199.14813	2.0
201.12576	0.8
203.14415	0.7
209.11569	1.0
209.13364	1.2
211.14853	1.5
213.12753	0.7
213.16440	0.8
221.13193	1.0
223.14786	1.2
224.02678	0.5
227.12675	8.8
237.16422	1.0
239.17924	0.8
241.15800	0.6
241.19531	1.0
243.15892	0.6
243.20926	0.7
257.19009	0.9
259.20615	2.1
261.22189	1.9
265.14490	0.7
265.19629	1.3
267.15979	1.6
275.20007	6.2
277.21515	0.9
281.22672	0.9
283.20447	1.5
285.22266	0.7
289.21756	0.6
293.20987	0.5
297.22089	1.6
299.20419	0.8
299.23645	8.0
301.21564	1.4
315.23203	0.8
317.24673	0.8
321.21924	0.6
325.21802	0.8
327.23114	0.7
333.24307	1.6
339.22888	0.6
347.60574	0.5
355.26309	0.8
357.24152	1.4
415.29999	1.3
423.32446	1.7
433.30865	3.9
451.32016	8.5
469.33139	5.0
487.34155	2.2
507.34808	1.2
515.37823	1.2
525.35712	16.1
543.36737	100.0
544.37140	1.2
559.43176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3672
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03928	1.3
55.01850	1.6
55.05502	12.2
56.47200	0.4
57.03429	2.8
57.07059	0.7
59.05016	0.4
65.03927	0.7
67.05494	18.9
69.03409	0.8
69.07055	5.6
69.85790	0.4
71.04972	1.6
71.08619	0.5
74.45480	0.4
79.05479	12.0
81.03410	3.7
81.07042	15.0
81.92722	0.4
83.04963	1.8
83.08601	6.3
85.02892	0.5
85.06526	1.3
88.20176	0.4
91.05470	11.9
93.07026	13.5
95.04947	4.9
95.08589	9.2
97.06522	1.9
97.10159	6.3
98.03527	0.4
105.07014	12.3
107.04945	1.8
107.08572	8.1
109.06503	1.1
109.10137	8.1
111.08105	1.0
115.05430	1.2
117.06992	7.9
119.08556	9.7
121.06481	2.0
121.10120	4.0
123.08032	1.0
123.11691	1.6
125.09603	4.6
128.06230	1.3
129.06982	5.7
130.07713	0.8
131.08542	11.4
133.06493	1.6
133.10107	6.7
135.08046	1.3
135.11694	2.5
137.09590	1.0
139.11186	0.5
141.06982	2.1
142.07758	1.6
143.08548	7.1
145.06473	2.0
145.10107	9.5
147.08061	1.3
147.11676	4.2
149.09560	1.0
149.13240	1.3
151.11183	0.7
153.09102	0.6
155.08530	4.4
156.09340	0.5
157.06523	0.7
157.10107	7.1
159.08087	2.2
159.11647	6.0
161.09644	1.0
161.13219	2.6
163.11179	1.4
167.08498	2.2
169.10074	4.3
170.11006	0.5
171.08037	1.0
171.11641	6.6
173.09576	2.0
173.11842	0.9
173.13200	3.8
175.11191	1.7
175.14754	0.5
177.12697	0.7
179.08646	0.5
181.10046	2.5
183.07848	0.5
183.11653	4.1
185.09596	1.2
185.13235	4.3
187.11182	1.5
187.13260	0.7
187.14743	2.0
189.11205	1.6
189.12769	0.9
193.10208	0.6
193.12248	1.5
195.11620	3.1
197.09641	0.5
197.13254	3.3
199.11108	1.1
199.14786	2.6
201.12653	1.0
201.16371	0.6
207.11594	1.3
209.13266	2.6
211.11362	0.7
211.13052	0.6
211.14810	1.6
213.12878	0.8
215.14287	0.4
215.17996	0.6
221.13322	0.7
223.14830	1.4
225.16525	0.8
227.12650	2.0
229.14360	1.4
232.15582	0.4
235.14752	0.9
239.17856	0.5
241.15750	0.5
241.19543	1.3
243.15848	0.8
247.16945	0.6
250.74797	0.5
257.19174	0.7
259.18008	0.5
259.20508	3.0
265.19513	0.8
267.15805	2.3
271.20502	0.5
275.20035	1.7
277.21860	0.5
279.20944	0.7
281.22989	0.6
283.17291	0.4
283.20541	1.6
297.19135	0.5
297.22046	2.2
299.20212	0.8
299.23672	3.5
301.21555	0.7
315.23224	0.6
325.21207	0.6
327.23239	0.7
333.24353	1.2
339.23026	0.9
357.24219	1.2
371.25583	0.7
415.30002	1.8
421.25720	0.9
423.32733	1.2
433.30939	5.0
451.32077	6.6
466.51151	0.5
469.33084	4.5
487.34543	0.7
489.34058	0.6
507.34702	1.4
515.37280	1.4
525.35699	18.5
543.36749	100.0
544.37378	1.7
550.78680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99040	0.6
53.03934	1.4
55.01860	2.1
55.05504	12.8
57.03432	2.8
57.07066	1.3
65.03932	0.9
67.05494	19.8
69.03416	1.2
69.07063	7.1
69.47350	3.6
69.47757	1.4
71.04955	1.1
79.05051	1.0
79.05482	14.9
81.03399	4.1
81.07043	18.9
83.04971	2.4
83.08607	6.4
85.02908	0.9
85.06535	0.8
91.05470	14.9
93.07028	11.9
95.04955	4.3
95.08597	11.1
97.06528	1.9
97.10146	6.0
98.20779	1.3
99.08109	0.9
105.07008	13.6
105.07663	1.0
107.04941	2.1
107.08572	8.6
109.06502	2.4
109.10149	8.2
111.08055	1.3
115.05445	0.9
117.06996	9.5
119.08562	10.0
121.06485	2.3
121.10113	4.4
123.08056	0.7
123.11720	2.2
125.09598	4.9
128.06226	2.1
129.06992	7.2
131.08543	12.8
133.06433	1.4
133.10109	8.8
135.08060	2.2
135.11699	2.3
137.09666	0.8
141.06975	2.7
142.07791	2.0
143.08537	8.1
144.09348	0.7
145.06485	2.6
145.10097	9.7
147.08028	1.8
147.11670	4.7
149.09599	2.0
149.13237	0.9
151.11099	0.8
153.07065	0.7
153.09200	0.7
155.08539	4.7
156.09348	0.6
157.06438	0.9
157.10109	7.8
159.08051	2.9
159.11659	6.3
161.09573	1.3
161.13264	2.2
163.11200	1.3
165.12798	0.8
167.08598	2.3
169.10103	4.9
171.07967	1.3
171.11652	6.3
173.09628	2.3
173.11807	0.9
173.13269	4.4
175.11191	2.1
175.14827	1.1
177.12683	0.7
179.08484	0.9
179.14311	0.9
181.10068	3.1
183.11600	4.9
185.09610	0.8
185.13219	5.0
187.11186	1.8
187.13284	0.9
187.14832	2.1
189.11230	2.4
193.10124	1.0
193.12274	1.4
195.11642	3.4
197.13200	3.6
199.11217	1.1
199.14801	2.9
201.16440	0.9
205.10202	0.9
207.11679	0.8
209.13275	2.1
211.13148	0.8
211.14928	1.3
213.12790	0.9
213.16461	1.1
215.14394	0.8
219.11658	0.8
221.13246	0.8
223.14790	1.4
225.12766	1.0
227.12764	2.0
229.14297	1.4
235.14812	0.8
237.16377	1.4
241.19562	1.9
247.17023	0.6
257.18958	1.1
259.20508	3.4
267.16006	2.4
277.21735	0.9
283.20578	1.8
295.20486	0.8
297.22079	2.4
299.20535	0.8
299.23578	3.7
301.21503	1.2
313.21658	0.8
315.23257	1.1
321.21619	0.7
325.21552	0.8
333.24451	1.6
339.22928	0.9
353.24643	0.7
357.24179	1.1
362.99066	0.6
405.31570	1.2
415.30069	1.5
421.26678	0.6
423.32562	1.9
433.30896	5.3
451.32114	8.6
469.32953	3.3
487.34146	1.4
489.33978	0.7
507.34595	2.4
515.37347	2.5
525.28748	0.5
525.35706	15.9
543.36768	100.0
544.37317	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3673
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03938	1.2
55.01851	2.3
55.05502	13.3
57.03429	3.3
57.07061	0.8
57.34021	0.5
58.08367	0.7
59.04984	1.0
65.03926	0.9
67.05494	22.9
69.03423	1.7
69.07063	7.6
71.04978	1.3
71.06541	1.1
71.06884	0.8
71.08611	0.7
76.31776	0.7
77.03936	0.7
79.05479	15.2
81.03414	5.6
81.07043	17.6
82.07353	0.6
83.04952	3.1
83.08601	7.1
85.06522	0.8
91.05468	15.0
93.07027	13.6
95.04954	5.7
95.08591	10.5
95.09154	0.9
97.06512	1.9
97.10146	7.9
105.07014	12.2
107.04959	2.2
107.08580	10.5
107.31721	0.6
109.06527	2.1
109.10137	8.6
111.08058	2.5
115.05432	0.7
117.06990	8.9
119.08577	10.1
121.06511	1.5
121.10123	5.5
123.08041	1.6
123.11703	2.3
125.09623	5.1
128.06175	1.3
129.06996	7.2
130.07730	0.7
131.08551	13.0
133.06502	1.5
133.10106	7.8
135.08026	2.3
135.11674	2.9
141.06990	2.5
142.07785	1.7
143.08557	8.0
144.09311	1.1
145.06467	2.3
145.10094	10.4
147.08022	1.9
147.11635	5.8
149.09599	2.0
149.13243	1.4
151.11137	0.7
153.09117	1.1
155.08548	4.9
156.09430	0.9
157.06516	1.1
157.10115	7.7
159.08090	2.7
159.11671	8.4
161.09630	1.4
161.13277	2.0
163.11160	1.0
167.08560	2.5
169.10121	5.1
171.08099	1.7
171.11650	6.9
173.09663	1.8
173.11835	1.3
173.13237	5.3
175.11194	1.4
175.14818	1.6
177.12833	0.9
179.08472	1.0
180.09375	0.7
181.10112	2.0
183.11661	4.9
185.09650	2.0
185.13159	5.1
187.11177	1.8
187.14848	2.5
189.11230	1.7
189.12791	0.8
193.10339	1.0
193.12248	3.2
195.11586	3.1
197.13283	3.2
199.11220	1.7
199.14865	2.2
201.12860	0.8
201.16380	0.9
207.11716	1.3
209.13316	2.0
211.13249	1.4
211.14937	1.3
213.12724	1.3
213.16351	0.9
215.14365	0.7
219.11668	0.7
221.13280	1.3
223.14828	1.6
225.16386	1.1
227.12579	2.9
229.14415	0.9
233.13310	0.8
233.15540	0.7
237.16356	1.1
241.15958	1.1
241.19484	1.1
243.15910	0.8
257.15390	0.7
259.20541	4.2
265.19614	0.8
267.15894	2.5
275.20157	1.8
277.18079	0.7
277.21555	1.1
283.20609	1.3
297.19080	0.7
297.22189	2.7
299.20441	1.2
299.23761	3.9
301.21774	0.6
311.19870	0.7
313.21719	0.7
315.23196	0.8
321.22119	0.7
325.21512	0.9
333.24384	1.0
339.23230	1.4
347.23657	0.6
357.24081	1.5
371.25800	0.8
405.31122	0.8
415.29971	0.8
423.32660	1.3
433.30939	4.8
435.27283	0.7
451.31967	8.6
460.97644	0.7
469.33044	4.5
507.34555	1.7
507.91534	0.6
515.37195	1.7
525.29272	0.6
525.35693	17.9
543.36761	100.0
544.37122	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	1.5
57.85436	0.8
58.99842	0.8
69.03384	3.4
71.61102	1.0
71.62495	0.6
73.02884	1.6
75.91135	0.6
80.76697	0.7
81.12096	0.7
85.02895	9.5
97.02837	2.1
98.97511	1.1
99.04433	1.0
101.00864	3.4
108.04530	0.7
113.00795	0.9
115.02384	1.8
115.03897	0.8
119.01137	1.2
119.01904	16.2
120.02071	0.8
121.01545	0.8
127.03899	4.3
128.04163	0.8
129.03883	1.7
131.01871	7.4
133.03439	9.5
137.01906	1.3
137.02930	2.2
143.01888	4.7
145.01675	0.8
145.03459	8.1
145.04922	2.8
147.03130	0.8
147.05016	4.5
151.04477	2.2
153.01559	0.7
153.03925	3.4
155.01852	5.3
157.03482	3.7
159.05032	4.0
161.02948	5.8
163.02702	1.2
163.04445	2.1
165.06036	1.4
169.03433	2.9
171.05005	45.4
172.05148	1.0
173.02946	11.0
173.06506	2.7
174.03139	0.8
175.04457	4.6
177.06104	1.7
179.01779	0.9
183.04996	2.2
185.02875	4.4
185.06477	1.5
187.02882	0.7
187.04475	2.9
189.04375	0.8
189.06038	14.3
191.07634	0.8
194.06567	0.9
196.02185	1.3
197.02917	3.1
199.04466	1.9
201.06039	2.8
203.03999	3.0
207.05237	1.2
207.07098	12.4
211.02754	0.9
211.04491	1.8
213.06055	1.9
215.04005	2.3
216.04077	0.8
217.01807	1.1
221.05008	4.5
225.06044	3.4
225.08160	11.9
227.04027	0.9
231.07074	2.4
235.06601	1.4
243.07101	1.7
245.05020	11.4
246.05205	1.6
247.04787	2.8
249.08182	24.0
259.06638	3.8
261.08185	17.3
263.06317	1.4
263.09735	4.4
273.08188	6.6
274.08377	0.9
275.06137	1.5
275.09689	1.6
285.08282	7.1
291.06168	0.8
291.09207	5.1
305.07315	1.2
321.06506	0.9
321.10355	2.4
337.09921	5.0
351.11325	100.0
352.11499	3.2
363.07520	1.2
365.09351	1.2
369.12048	2.2
379.07407	3.5
381.07962	3.9
525.12787	9.1
543.13629	70.3
544.14136	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	543.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11496	0.5
55.01835	1.5
55.05471	0.5
56.96532	1.3
57.03428	3.3
61.02913	2.5
64.93099	0.5
67.05479	0.6
69.03419	11.5
69.07057	0.7
69.32575	2.4
69.33006	2.8
71.04974	1.2
73.02901	3.6
81.03411	3.1
82.99803	0.7
83.04955	0.9
85.02894	26.2
86.03220	1.3
87.04433	2.2
91.03938	1.4
91.05453	0.8
93.07006	0.6
95.01327	1.1
97.02879	10.4
98.03156	0.7
98.97567	3.5
99.04412	2.1
101.00851	2.9
109.02856	2.6
111.04329	0.8
113.00842	0.6
115.02387	1.4
115.03874	0.7
116.98578	2.2
119.01910	14.5
119.04900	0.8
120.01986	0.7
121.01637	1.0
127.02418	0.7
127.03898	11.7
128.04175	1.0
128.98544	1.2
129.03967	1.1
131.00128	0.7
131.01891	4.6
133.03465	11.6
134.99620	1.6
135.04343	0.6
137.02982	2.6
137.05943	2.0
141.03932	1.1
142.03474	0.7
143.01831	3.4
145.01656	0.8
145.03413	7.4
145.04918	8.9
146.05229	0.7
146.99561	0.8
147.03195	0.7
147.05116	4.3
149.01199	0.7
149.02914	0.9
151.04515	2.5
153.01822	4.6
153.03888	4.6
155.01843	4.6
155.02820	0.6
157.01627	0.7
157.03458	4.1
158.99628	1.6
159.05022	5.2
161.01598	0.9
161.02945	7.7
162.03024	0.9
163.02676	1.7
163.03749	0.7
163.04404	1.9
163.05798	0.6
165.06029	1.1
166.01212	0.6
167.06978	1.5
169.01920	0.9
169.03401	4.2
169.04587	0.7
170.99632	1.2
171.05006	41.2
172.05167	1.2
173.01364	0.9
173.02950	9.7
173.06589	2.2
174.03104	1.5
175.02821	1.1
175.04469	4.3
177.00682	1.8
177.04231	0.5
177.06041	1.1
178.04761	1.2
179.01862	1.0
179.07066	0.8
181.05495	1.2
183.05023	3.4
184.04816	1.6
185.02995	4.8
185.04636	0.8
185.06557	2.2
186.03102	1.2
187.02715	1.7
187.04509	5.9
187.06233	1.4
189.00752	0.8
189.02396	0.9
189.04375	1.2
189.06047	12.0
190.02356	0.6
191.03871	2.2
193.03621	1.6
193.05399	1.0
194.06593	1.2
195.06953	0.5
197.02983	4.1
197.04611	1.0
197.06525	0.9
197.08177	0.8
199.02773	0.6
199.04443	1.2
200.04443	1.0
201.00679	1.5
201.04726	4.9
201.55101	0.7
203.03981	3.8
204.04254	0.6
205.03725	1.5
205.05605	1.6
207.05211	1.1
207.07104	10.9
211.04565	1.7
212.07504	0.6
213.02415	0.6
213.04254	0.6
213.06047	1.8
215.03931	2.3
217.01851	0.6
217.05722	0.9
219.01715	2.3
219.05258	1.0
219.07169	1.1
220.07043	0.5
221.05016	5.6
223.04623	1.2
223.06627	1.2
225.06042	3.8
225.08176	9.4
227.04050	1.3
227.07634	0.7
230.08771	0.8
231.07162	3.3
232.03419	1.1
235.06625	2.3
237.02696	2.1
237.06102	1.0
241.05653	0.8
243.01830	0.7
243.07249	1.3
245.05054	13.2
246.05261	2.1
247.04648	2.8
247.06996	0.8
249.08180	24.9
255.07219	1.3
257.02979	0.8
257.05237	1.0
257.57639	0.6
259.06427	2.9
261.02652	1.6
261.08224	17.8
263.06110	1.8
263.09766	5.7
264.07278	0.5
264.57794	0.8
265.07605	1.5
266.08072	1.9
266.58295	3.0
267.07928	1.0
271.06375	1.0
273.08160	11.1
273.58191	1.5
274.08163	3.1
275.06235	0.9
275.09644	2.0
277.07840	0.9
279.03860	0.9
279.07596	1.0
281.06909	2.7
281.56903	0.7
281.58923	0.7
282.06940	1.0
285.08246	7.2
287.10022	0.8
289.07367	1.0
290.59253	1.0
291.09497	5.2
293.07285	0.7
303.09198	0.7
305.07300	0.8
313.08325	0.7
317.07062	0.8
321.10400	5.1
322.10660	0.6
323.10175	1.9
333.10010	0.6
337.09952	5.5
338.10092	0.7
347.61133	0.6
348.10876	1.0
351.11325	100.0
352.11694	2.8
362.09576	0.9
362.60251	0.7
365.09317	1.7
369.12000	1.7
371.63525	2.6
372.11938	2.7
372.61334	0.8
379.07114	5.3
381.08188	2.6
392.14093	0.9
394.15219	0.7
401.09097	1.7
412.12030	0.5
417.12427	0.6
425.11407	0.9
499.13116	0.6
507.11670	1.5
525.12842	9.5
543.13745	66.7
544.14294	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
69.03421	3.5
69.77036	2.7
69.77453	1.7
81.03420	0.9
85.02902	10.2
85.03416	0.8
94.39392	0.6
95.01328	0.8
97.02877	3.2
99.04441	0.7
101.00872	1.6
101.02411	1.0
106.61884	0.7
109.02866	0.7
115.02429	1.0
119.01900	9.1
127.03892	6.1
131.01926	3.1
133.03441	5.8
137.02953	1.5
143.01901	1.8
144.63200	0.6
145.03467	5.4
145.04909	3.0
147.05023	2.9
149.02939	0.8
151.04518	1.1
153.03993	2.4
155.01895	2.9
157.03470	1.9
159.05029	3.0
161.02959	3.3
163.04524	1.7
169.03473	2.9
171.05008	26.7
172.05316	0.8
173.02945	6.7
173.06642	1.0
175.04533	2.3
176.97089	0.7
183.05029	1.5
185.03041	2.0
185.06595	0.8
187.04524	4.2
189.04372	1.2
189.06052	8.8
194.06712	0.8
197.02948	2.5
199.04695	0.7
201.06085	1.3
203.04022	1.4
205.05585	0.8
207.07135	5.7
211.04572	1.3
213.06105	1.1
221.05116	2.4
223.06691	0.8
225.06076	2.1
225.08226	6.9
230.08878	0.8
231.07204	0.9
245.05029	6.2
245.08832	1.0
246.05200	1.0
249.08211	13.4
257.08060	0.8
259.06635	1.4
261.08206	9.4
263.09821	3.5
266.08105	0.8
273.08231	5.5
275.09900	0.8
277.00006	0.7
279.00299	1.5
280.99573	1.7
285.08102	4.4
290.05875	0.9
290.56174	0.6
290.59372	0.8
291.09244	4.4
317.07401	1.2
321.10440	1.3
337.09604	1.3
351.11319	61.4
352.11472	1.4
363.06992	2.4
369.11987	1.2
379.07111	7.4
381.07928	7.6
408.81735	0.8
507.12085	0.8
525.12714	6.4
543.13409	100.0
544.13751	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	0.6
71.60990	0.3
73.21680	0.3
73.56454	0.2
74.59849	0.3
85.02907	1.2
97.02852	0.6
98.97574	0.4
99.13266	0.2
99.21994	0.3
101.00886	0.3
115.71603	0.3
119.01907	0.8
125.26119	0.3
127.03900	0.5
131.01874	0.4
139.00781	0.4
143.01906	0.8
145.00766	0.6
145.03403	0.4
145.04958	0.3
147.05057	0.3
155.01904	0.6
157.03477	0.3
160.01314	0.6
161.02943	0.9
169.02016	0.3
169.03503	0.5
171.04991	1.6
173.02986	0.9
181.01738	0.4
185.02966	1.1
187.04561	0.7
187.06296	0.4
189.06171	0.6
197.03014	0.5
201.07890	0.3
203.03998	0.4
207.07185	0.4
215.03954	0.5
223.20711	0.3
225.08212	0.4
231.05255	0.5
232.03401	0.9
241.34128	0.2
245.05049	2.1
246.05324	0.5
249.08189	1.1
261.08246	0.6
262.04477	0.3
273.08237	0.6
275.06046	0.3
291.09399	0.3
292.05530	0.6
303.05420	0.3
305.07245	0.3
321.10580	0.3
333.08630	0.4
351.11288	4.9
358.78818	0.3
363.06653	2.7
365.09238	0.8
378.51120	0.2
379.07346	0.9
381.07816	9.1
401.46964	0.2
525.12421	0.4
543.13153	100.0
544.13446	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	6.1
55.05493	23.7
62.01648	5.9
67.05507	34.3
69.07047	20.5
70.60944	21.0
79.05479	25.7
79.80698	5.8
81.03403	14.8
81.07050	45.2
81.73074	6.4
83.08582	8.8
91.05456	30.8
93.07018	35.5
94.67323	6.3
95.04946	8.4
95.08584	46.1
97.10183	6.7
105.07017	36.6
106.21255	5.6
107.08558	45.5
109.06491	6.6
109.10136	31.3
117.06988	16.1
119.08554	70.8
121.10121	31.3
123.11680	10.9
125.73992	6.0
129.06999	13.7
131.08493	29.3
133.10118	44.6
135.11667	15.9
143.08556	27.2
145.10104	46.8
147.11697	29.1
149.13213	12.3
157.10114	13.1
159.11665	29.1
160.80554	5.5
161.13167	10.9
163.11201	5.7
171.11665	15.7
173.13242	23.3
175.14761	21.0
177.12677	13.2
177.16373	9.5
185.09706	8.1
185.13197	40.3
187.14790	36.6
189.12688	11.2
189.16360	18.5
191.14287	17.7
193.12215	7.4
199.14793	17.3
201.12924	5.7
201.16394	31.4
203.14336	20.8
205.15730	10.2
213.16322	19.7
217.15948	8.0
223.14854	6.7
245.15327	11.0
247.16786	8.8
249.14752	40.7
287.31546	6.0
353.24661	10.5
371.25763	24.9
381.27737	10.6
391.29895	19.8
409.30835	31.4
419.29327	16.0
427.27893	6.6
437.30414	50.6
439.31747	9.6
442.85010	7.8
444.28223	10.8
446.23196	6.4
455.31482	63.4
483.30798	26.6
501.31866	53.2
542.35449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62758	0.2
55.01859	0.4
55.05496	0.7
57.03408	1.0
57.31652	0.2
67.05488	0.9
69.03419	1.6
69.07060	1.3
69.49504	2.3
70.06553	0.5
71.04982	7.5
73.02900	0.3
73.17803	0.3
79.05476	0.6
79.20837	0.2
81.03384	0.7
81.07042	2.4
83.04971	0.5
85.02892	8.2
85.06551	0.6
86.09670	0.3
87.02792	0.3
87.04465	0.4
91.05465	1.1
93.07018	1.1
94.04156	0.7
94.20075	0.3
95.04932	0.8
95.08602	1.2
95.77230	0.2
97.02844	0.4
97.06514	0.4
99.02582	0.2
99.04433	0.6
103.05473	0.6
105.06983	1.4
106.06551	0.3
107.08563	1.0
109.02879	0.7
109.06485	0.7
109.10123	0.6
111.04453	0.5
111.08047	0.4
113.13318	0.3
117.07005	0.6
119.04910	0.6
119.08556	0.6
121.06469	0.5
121.10129	0.7
122.03635	2.6
123.08060	0.4
123.11713	0.6
124.07589	2.1
125.05979	0.4
127.03901	0.7
127.07504	0.3
129.05457	2.2
131.04919	1.6
133.06480	0.5
133.10164	0.5
135.08034	0.4
136.07553	0.5
137.05954	100.0
138.06287	1.7
140.07074	0.4
142.08609	1.8
145.06464	0.5
145.08574	1.1
145.10164	0.6
147.04343	0.3
147.06427	0.5
147.11665	1.0
149.05995	0.4
149.09624	0.4
151.07506	1.4
153.01807	0.9
153.05452	0.5
154.08595	1.1
157.10088	0.4
159.06561	0.2
159.07941	0.3
161.09531	0.3
163.07523	3.0
163.11142	0.4
165.12686	0.4
167.07005	1.8
168.06441	0.3
175.07542	0.9
177.05463	0.5
177.09074	0.4
179.07100	0.3
181.08565	15.1
182.08842	0.3
183.13759	1.1
191.07024	0.4
203.14403	0.4
209.04498	1.5
209.08067	0.3
211.09622	0.6
223.09482	0.4
247.09724	0.4
265.10782	1.4
291.12228	1.3
307.26044	0.3
309.13223	0.5
400.55243	0.3
471.20200	0.5
542.26141	0.4
542.30396	0.4
543.30865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34358	2.7
55.05494	4.3
55.32824	2.6
57.03416	10.7
57.99652	2.7
58.57272	2.7
64.73055	2.5
67.05472	3.3
69.03414	10.5
70.71548	3.2
70.71876	5.4
71.04988	42.4
71.49374	2.5
73.02911	3.4
79.05474	3.9
81.07033	10.0
83.04967	10.3
85.02893	67.9
85.06517	5.9
87.04455	4.4
91.05466	8.4
93.07021	5.0
95.04945	7.4
95.08579	6.5
96.08930	2.7
97.06483	4.5
99.04437	5.3
103.05446	12.6
105.07004	11.1
107.04928	9.0
107.08557	4.6
109.10136	4.2
111.04427	13.4
113.00052	2.6
113.05987	3.1
115.05420	4.6
117.06915	3.4
119.04901	9.5
121.06481	5.4
121.10113	4.2
122.03651	4.7
125.17989	2.7
127.03889	3.4
129.05461	18.1
129.06975	5.1
130.04117	3.1
131.04919	30.4
133.06459	13.9
134.88472	2.9
137.05959	100.0
141.05388	3.6
141.06989	3.4
141.70705	3.1
145.06462	9.9
147.04378	21.7
147.06499	5.7
149.05968	26.1
151.03964	3.1
151.07529	40.5
157.06502	6.8
159.04364	6.2
160.05179	5.5
161.05956	35.4
161.09615	4.8
162.06729	11.3
163.07512	58.7
165.09103	9.4
167.06937	3.8
169.06410	4.8
171.07961	6.8
174.06737	3.7
175.07535	29.0
177.05447	20.8
177.09032	9.5
179.07016	22.4
181.06456	3.4
181.08583	6.0
183.08020	4.3
183.10165	6.5
185.05879	3.9
187.07562	13.8
189.09094	19.1
191.07001	44.9
193.08586	9.7
195.06470	6.4
195.10002	3.0
197.05945	5.3
199.07529	12.6
201.09077	9.5
203.07043	19.2
205.08525	8.6
207.10106	18.6
211.07561	4.7
213.09096	3.9
215.06987	5.8
215.10565	4.1
217.08542	29.0
219.10072	7.4
221.08080	14.1
228.71233	2.7
229.08525	14.9
231.10080	9.1
233.08026	25.6
235.09601	4.6
241.08678	2.7
243.10120	5.4
247.09674	4.3
249.11211	6.2
259.09576	24.9
261.11255	5.6
263.09149	5.2
271.09570	4.2
275.12769	6.4
277.10568	17.7
287.12668	2.8
289.10699	15.2
293.13776	8.8
295.11691	26.1
299.12439	3.9
307.11713	59.7
307.25919	3.1
308.26541	6.7
325.12970	3.9
331.15329	8.5
343.15280	7.8
367.15247	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	542.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
53.98386	1.8
55.01872	2.9
55.05509	5.1
57.03424	7.2
59.05000	2.0
65.00634	3.0
65.03957	2.2
67.05479	5.2
68.05820	2.3
69.03408	5.7
69.07065	11.1
69.45498	10.7
69.45922	5.6
71.04986	40.6
73.02900	2.5
79.05509	9.9
81.03393	7.0
81.07048	22.0
82.07365	4.9
83.04964	6.2
85.02417	3.4
85.02896	47.5
85.06536	7.4
91.05470	12.2
92.04978	3.8
93.07020	14.4
95.04961	8.0
95.08582	10.7
96.08900	4.2
97.02868	4.3
97.06501	3.8
98.20697	3.6
99.04458	3.8
99.08067	3.6
102.18037	1.9
103.05441	22.3
105.07019	14.6
107.04923	16.5
107.08582	15.1
108.08873	2.1
109.03262	16.4
109.06509	3.5
109.10168	10.9
110.06037	29.8
110.10485	3.1
111.04426	4.4
111.08077	3.3
112.08375	2.1
113.21875	1.9
115.05426	2.8
116.40788	2.0
117.07010	5.5
119.04925	4.7
119.08540	5.5
121.06500	9.2
121.10107	8.8
122.03620	3.8
123.04445	2.6
123.08067	3.8
123.11679	5.9
124.12045	2.0
127.03905	8.8
129.05441	12.1
129.06976	2.1
131.04909	39.3
131.05890	1.4
131.08569	2.5
133.06441	10.0
133.10135	2.8
135.08064	9.3
135.11632	3.7
136.12051	2.3
137.05957	75.5
137.09566	2.7
138.09099	8.0
139.11159	4.6
145.06464	6.3
145.10083	5.5
147.04388	7.8
147.06497	3.5
147.08029	2.1
147.11653	7.6
148.11995	3.5
149.05923	6.0
149.09575	3.4
149.13271	3.2
151.07518	23.7
153.01807	5.6
153.12750	2.3
154.12895	2.0
160.11964	2.1
161.05986	27.6
161.09595	6.0
161.13275	2.3
162.06729	4.7
163.07521	100.0
163.11153	13.8
165.09108	2.8
165.12781	2.6
167.07022	7.2
167.10646	4.9
169.08566	4.5
170.12480	2.2
171.08011	2.8
171.13857	2.5
173.09602	2.1
174.06566	2.1
175.07524	13.5
175.11185	3.4
177.05455	3.8
177.09065	31.3
179.07025	4.9
179.10585	5.3
181.08565	9.9
181.12219	3.5
187.06010	2.0
187.07550	2.2
189.09044	21.5
191.06993	3.8
191.10652	10.6
193.08517	11.0
194.12366	2.2
195.08096	2.1
195.10085	3.0
203.10562	4.0
207.10144	31.4
209.08107	3.3
209.11705	6.8
210.15651	2.3
211.09653	13.3
216.18202	2.2
219.10152	7.8
221.05879	2.2
221.09744	2.7
221.11729	13.1
227.10703	3.7
227.12724	20.8
240.20290	2.2
252.20395	4.5
255.10089	3.0
285.11292	3.3
287.12671	9.7
290.25510	5.3
295.13025	2.3
299.12723	5.8
307.26300	4.5
308.26620	14.2
311.12762	14.2
313.14197	11.0
325.14288	5.2
326.27615	4.6
327.15869	5.7
331.15280	27.2
343.15414	9.4
344.28717	5.3
353.15915	6.3
362.29611	2.8
371.17035	2.6
453.18896	3.5
510.18292	2.6
514.21466	3.4
542.26819	11.8
543.23798	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	542.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98761	0.2
57.77778	0.2
69.03423	0.5
71.54833	0.3
77.03943	0.3
79.05478	0.9
80.02837	0.2
81.03410	0.5
85.02913	1.2
91.05459	1.0
93.07037	1.3
97.02872	0.8
103.05451	5.6
107.04925	2.2
108.05350	0.2
108.96796	0.2
109.24002	0.2
116.33655	0.2
116.98624	0.4
119.04935	1.5
120.08087	100.0
121.06507	0.3
121.08440	1.2
127.03912	0.4
131.04907	2.7
134.06006	0.2
135.04379	0.9
136.06168	1.5
137.05956	1.2
145.04958	0.3
147.04401	2.7
149.05962	2.6
149.07071	0.3
150.05435	0.4
151.07556	0.4
153.01781	0.6
166.08615	57.9
167.06978	1.4
167.08994	0.4
177.05359	0.3
179.07022	2.9
237.02783	0.5
247.01936	0.2
293.10080	0.4
372.10425	0.5
372.60565	0.3
524.09802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14474	0.3
52.30790	0.3
53.03942	0.4
55.01868	1.3
55.05494	0.4
57.03432	1.0
65.03922	0.8
67.05485	0.7
69.03433	0.7
69.07064	0.7
70.51786	0.4
70.52136	1.0
71.04982	0.5
71.88969	0.3
73.02905	0.6
75.04475	0.6
79.05479	4.4
81.03403	0.7
81.07039	1.8
82.07392	0.5
83.04963	0.5
85.02895	1.6
85.06522	0.5
89.03918	0.4
91.05461	6.4
91.05994	0.5
93.03404	1.9
93.03899	0.3
93.07035	2.9
93.97461	0.4
95.04938	1.8
95.08608	1.2
97.06531	1.3
102.48537	0.3
103.05453	5.2
105.07016	17.1
106.04145	3.8
107.04930	3.4
107.08577	1.0
108.05720	1.2
109.02876	1.3
109.06499	1.7
109.10146	1.0
111.04392	0.5
115.05476	0.9
115.14861	0.4
118.02570	0.4
118.04151	5.6
119.04939	2.5
119.08553	0.5
120.05746	0.7
121.06488	5.8
121.10136	1.4
122.03687	0.5
122.07273	1.4
123.04419	0.6
123.08072	2.2
124.05210	1.4
125.05949	2.2
127.03906	0.9
131.04909	3.4
132.05708	0.8
133.06470	17.9
133.10081	0.4
134.03642	0.9
134.07259	1.1
135.04384	2.4
135.08032	3.7
135.11729	0.6
137.05954	11.2
137.09558	0.5
139.07539	0.5
139.11194	0.5
140.11702	0.3
145.02846	0.4
145.06461	0.5
145.08746	0.4
146.03601	1.0
147.04378	1.1
147.07962	0.4
148.05182	0.9
149.05954	10.7
150.06741	10.1
150.07886	0.7
151.03882	1.1
151.07518	5.3
152.04439	0.3
153.05379	0.4
153.09076	2.4
159.04413	0.4
159.10063	0.4
161.05939	2.7
162.01360	0.4
162.06668	0.4
163.03900	1.5
163.07509	5.1
163.11133	0.8
164.11514	0.5
165.05458	0.9
165.09087	12.8
166.06131	0.4
167.07022	9.7
169.08582	0.8
175.07532	0.4
177.05463	6.4
177.09090	2.3
178.06215	1.5
179.07013	2.5
180.07616	0.6
181.08583	5.2
181.12198	0.5
189.09067	0.4
191.07071	1.6
192.07840	0.4
192.10973	0.5
193.08580	52.6
194.08966	0.6
195.06522	1.0
197.11792	0.7
203.18028	0.4
208.01845	0.5
209.08061	38.2
210.08388	0.8
211.09621	100.0
212.09976	1.1
221.11667	0.9
223.00620	0.5
223.04228	7.6
227.12802	1.3
228.13051	0.9
238.07227	0.3
241.14297	0.5
267.31772	0.4
295.09705	0.4
295.13254	1.2
308.26666	0.5
312.08942	1.0
326.27570	1.0
327.15793	2.2
343.18002	0.4
344.28607	0.4
353.15869	0.4
354.15994	0.8
371.14850	0.6
391.17480	0.9
403.17120	1.0
435.05673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03169	0.2
53.03938	0.7
55.01871	1.1
55.05500	0.4
57.03426	0.5
59.05006	0.3
65.03927	0.6
66.04700	0.3
66.78049	0.2
67.05495	1.0
69.03430	0.4
69.07050	0.3
69.66401	1.5
69.66798	0.5
71.04955	0.2
75.04468	0.6
78.04713	0.6
79.05476	4.0
81.03417	0.4
81.07025	1.3
82.07375	0.2
83.04958	0.2
85.02892	0.8
85.06541	0.5
89.03915	0.4
90.04657	0.3
91.05463	5.0
91.05994	0.3
93.03400	1.9
93.07033	1.9
94.04206	0.3
95.04938	1.8
95.08594	0.9
97.06521	0.8
98.20751	0.4
103.05450	4.2
104.06208	0.4
105.03394	0.5
105.04536	0.3
105.07012	16.8
106.04158	2.6
107.04930	4.0
107.08585	0.8
108.05739	0.9
108.08910	0.3
109.06497	1.4
109.10108	1.0
111.04425	0.5
112.08347	0.2
115.05454	1.1
117.03410	0.3
117.06979	0.7
118.04136	4.8
119.04926	2.9
120.05734	1.1
121.06485	5.8
121.10126	0.4
122.03638	0.4
122.07291	1.4
123.04414	0.7
123.08044	1.5
124.05187	1.5
125.05970	1.6
131.04918	2.3
132.05687	1.2
133.06470	17.4
134.03618	0.6
134.07248	0.8
135.04395	2.2
135.08037	3.6
137.05949	5.2
137.09598	0.4
139.07518	0.4
139.11127	0.4
145.08549	0.3
146.03610	0.8
147.04424	1.1
148.05164	1.5
149.05954	9.7
150.06744	9.7
151.02113	0.3
151.07523	3.7
152.04712	0.3
153.01878	0.2
153.05399	0.5
153.09081	2.0
159.04381	0.4
161.05969	2.4
162.01311	0.5
163.03886	1.9
163.07530	1.2
165.05432	0.3
165.09085	12.3
167.07010	10.7
169.08591	0.2
171.13643	0.2
175.07529	0.2
177.05434	6.2
178.06206	1.6
179.01631	0.3
179.07033	2.3
179.10481	0.3
180.07851	0.5
181.05019	0.3
181.08569	4.6
182.09305	0.3
182.66554	0.2
190.00746	0.6
190.08325	0.2
191.07014	1.6
192.07791	0.7
193.08572	55.1
194.08963	0.5
195.06528	0.9
197.11717	0.7
208.01839	0.6
209.08057	33.6
210.08411	0.5
211.09613	100.0
212.09882	1.3
223.04184	7.4
223.06252	0.4
239.19991	0.3
240.20442	0.4
252.20140	0.2
307.26218	0.3
308.26544	0.6
312.08899	1.1
313.10373	0.2
371.14685	0.7
391.17371	0.5
403.17288	1.0
451.00217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.2
57.07073	23.9
58.07378	3.3
64.11052	3.4
64.61862	3.8
67.05502	24.3
69.07061	46.4
70.06587	17.4
71.08611	11.6
71.17767	8.2
73.02883	3.6
79.05482	13.1
81.07050	84.2
83.08601	14.9
84.12634	4.3
85.10168	7.1
88.07615	14.2
89.06005	10.3
89.07926	3.2
91.05460	10.6
93.07040	40.8
93.31579	4.4
95.08606	66.5
95.09212	3.2
97.10145	6.7
98.21091	6.0
102.09144	13.5
105.07000	31.5
107.08585	45.6
109.10140	39.0
110.60437	3.9
117.06998	8.3
119.08577	36.9
121.10141	35.4
123.11681	22.3
131.08528	9.6
133.10143	28.2
135.11684	23.2
137.13246	6.8
143.08534	4.6
145.10089	20.5
147.11655	24.3
149.13229	16.1
155.08635	5.7
157.10072	12.3
159.11699	23.3
161.13229	14.8
163.14819	11.0
165.06525	4.0
169.09995	6.9
171.11653	15.0
173.13232	15.5
175.14815	14.1
177.16342	5.9
183.11642	6.2
185.13194	11.0
187.14754	9.9
189.16359	7.4
197.13254	7.0
199.14812	9.6
201.16373	8.7
203.17912	6.0
211.14804	10.7
213.16400	7.8
215.17923	7.9
219.94261	3.7
225.16315	5.2
227.17979	5.0
241.19571	4.2
243.21002	4.4
253.19414	7.0
256.26404	22.6
257.26688	25.1
263.17807	3.6
267.20886	4.2
269.17404	4.3
279.21207	4.0
283.26385	5.4
284.26611	7.0
285.29532	7.9
311.29483	18.7
312.29800	21.2
366.84232	3.9
370.21463	3.8
391.33554	4.2
507.40363	7.5
541.47186	56.3
541.53815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4761
Annotation	Asymmetrical zeta-carotene/ Asym. zeta-carotene/ 7,8,11,12-Tetrahydrolycopene
Peak:m/z	Relative Intensity
55.05505	26.4
57.07060	15.6
65.03955	3.5
65.49467	3.0
66.85213	2.9
67.05495	43.4
69.07062	49.0
70.06565	4.6
71.08622	5.9
74.39452	2.7
74.75263	3.1
75.81428	2.7
79.05481	23.0
81.07044	96.8
83.08608	22.3
88.07588	6.7
89.05999	5.0
91.05460	19.4
93.07024	53.2
95.04942	4.7
95.08043	5.3
95.08598	76.1
97.10167	8.2
98.20691	5.5
102.09164	4.3
105.07021	43.3
107.08584	64.1
108.05094	3.0
109.10136	71.6
111.11672	8.0
117.06969	5.6
119.07776	5.0
119.08564	47.2
121.10133	44.5
123.11684	28.3
129.06979	3.0
131.08577	15.4
133.10101	29.8
135.11671	34.4
137.13206	8.0
142.07770	4.2
143.08528	12.9
145.10089	28.9
147.11679	32.0
149.13216	22.3
155.08531	6.1
156.09334	5.9
157.10114	16.0
158.10907	4.3
159.11665	33.4
161.13245	22.9
163.14774	9.0
168.80011	3.0
169.10115	8.6
171.11662	22.8
173.13202	23.1
175.14787	21.0
177.16393	7.1
183.11708	10.2
185.13249	10.8
187.14778	14.4
189.16341	13.7
197.13237	10.9
199.14775	10.5
201.16356	14.2
203.17975	7.5
209.13200	7.3
211.14780	8.7
213.16315	13.1
215.17934	11.9
217.19516	4.7
223.14786	5.2
225.16350	8.4
227.17909	5.3
229.19551	4.3
239.17848	7.4
241.19518	9.1
243.20865	4.9
247.32945	3.6
251.17899	3.8
253.19444	5.3
255.21048	4.4
256.26385	7.6
257.22852	4.1
257.26556	7.4
267.20981	5.9
269.22562	5.7
277.19559	4.1
281.22504	5.1
283.23932	4.2
295.24130	5.5
311.29471	3.7
312.29736	8.7
337.28998	6.0
485.41122	5.1
541.47314	100.0
541.54071	21.7
542.48096	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	541.4763
Annotation	Asymmetrical zeta-carotene/ Asym. zeta-carotene/ 7,8,11,12-Tetrahydrolycopene
Peak:m/z	Relative Intensity
53.03930	2.9
55.05503	15.3
57.07067	9.1
59.80260	0.8
62.14365	0.9
65.03925	2.0
67.05495	28.8
69.07058	53.9
69.37600	3.0
69.38031	5.4
70.06566	2.9
70.07374	1.0
71.08612	3.9
75.13702	0.8
77.80441	0.8
79.05045	1.5
79.05480	19.8
81.07043	100.0
82.07349	1.3
83.08607	14.2
85.10174	1.4
88.07597	3.9
89.06031	1.2
91.05463	18.1
93.07030	48.2
95.04958	2.6
95.08593	67.9
96.08900	1.6
97.10157	7.0
98.21314	3.2
102.09174	4.1
105.07015	38.1
107.08579	52.6
109.06487	1.5
109.10139	49.4
111.11703	3.3
117.06967	4.5
119.08564	41.2
121.10125	39.6
123.11687	21.9
125.13209	1.2
128.06195	1.6
129.06976	3.1
130.07770	1.9
131.08545	13.9
133.10114	29.1
135.11676	27.0
137.13231	10.2
141.06985	1.2
142.07741	3.0
143.08557	8.9
144.09320	2.5
145.10098	25.0
147.11665	23.8
149.09587	4.8
149.13235	16.2
151.14766	2.3
155.08530	3.7
156.09291	4.2
157.10115	15.2
158.10873	1.7
159.11671	28.3
161.13229	17.2
163.14824	11.1
167.08479	1.6
169.10071	7.4
170.10861	2.3
171.11674	12.0
172.12424	1.7
173.13251	20.5
175.14789	16.0
177.16367	5.9
179.08453	1.1
181.10036	2.1
182.10855	1.1
183.11655	8.0
184.12527	1.3
185.13228	11.0
187.14796	13.1
189.16336	8.4
191.17946	4.2
195.11678	2.8
196.12502	1.5
197.13231	9.5
199.14787	11.6
200.15622	0.8
201.16371	13.0
203.17899	7.1
205.19449	1.7
209.13193	4.4
211.14828	7.0
212.15353	1.1
213.16359	10.3
214.47884	1.0
215.17899	6.6
217.19434	3.5
221.13235	1.2
222.86778	1.0
223.14786	4.0
225.16360	6.8
227.17961	7.7
229.19415	4.9
231.20999	1.3
237.16345	3.5
239.17899	4.6
239.45030	0.9
241.19467	4.4
243.21094	4.8
245.22594	1.4
249.16231	1.5
251.17899	2.1
253.19519	4.1
255.21037	4.9
256.26270	6.0
257.22525	3.6
257.26581	4.7
259.24197	1.3
263.17880	1.4
265.19464	2.8
267.21069	4.1
269.22552	4.8
271.24142	3.7
275.27646	1.0
277.19464	1.5
279.21011	2.6
281.22568	4.5
283.24103	3.6
283.29913	0.8
284.26675	2.1
284.29471	1.4
285.29837	1.6
293.22568	2.3
295.24124	3.3
297.25754	2.0
305.22504	1.0
309.25696	1.3
311.29333	3.7
312.29703	5.6
321.25812	2.5
323.27228	3.4
325.28784	2.0
335.27304	2.2
336.28024	1.1
337.28955	1.7
339.30496	0.9
347.27087	1.3
349.28854	3.5
351.30496	1.5
361.28833	1.3
363.30176	1.7
377.31677	1.0
391.33514	2.7
396.39743	0.9
403.33508	1.7
405.35028	1.5
415.33459	1.2
417.35010	2.7
431.36560	1.6
459.39590	3.7
471.39999	1.1
485.41229	1.7
541.47369	74.2
541.54071	16.6
542.47528	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4762
Annotation	9,9'-dicis-zeta-Carotene
Peak:m/z	Relative Intensity
51.34057	1.6
51.85717	1.3
53.03935	2.6
55.05502	14.5
55.85043	1.4
57.07067	13.1
58.06579	1.5
60.03092	1.2
65.03926	2.1
67.05497	26.5
68.35836	1.3
69.07058	33.7
70.06572	7.1
71.08608	5.7
71.62507	2.1
72.08939	1.3
78.19756	1.3
79.05476	17.0
81.03415	1.4
81.07047	75.9
83.08610	13.8
85.10175	3.1
88.07621	9.2
88.38167	1.5
89.05988	1.7
91.05456	14.8
92.78165	1.2
93.07035	36.9
95.04964	2.6
95.08594	62.1
97.10165	7.2
102.09178	7.2
103.05482	1.5
105.07013	31.3
107.08577	44.4
109.10145	46.4
111.11733	4.9
117.06997	4.7
119.08566	36.5
121.10124	34.9
123.11695	19.5
128.06192	1.3
129.06955	2.5
130.07773	1.5
131.08540	12.5
133.10106	24.4
135.11678	25.9
137.13208	8.1
142.07794	3.3
143.08553	7.0
145.10101	18.8
147.11670	21.7
149.13226	16.3
151.14789	3.0
156.09314	2.1
157.10120	15.7
158.10860	1.7
159.11665	24.1
160.12318	1.3
161.13206	19.3
163.14809	10.8
169.10092	7.0
171.11647	14.3
173.13258	15.7
175.14799	17.4
177.16354	8.0
181.10046	1.9
183.11621	6.8
185.13167	9.1
187.14790	13.7
189.16324	9.5
191.17943	3.7
195.11777	2.5
197.13248	7.9
199.14774	9.8
201.16357	13.9
203.17953	7.6
209.13223	3.1
211.14836	5.6
213.16376	7.6
215.17915	8.1
216.42381	1.6
217.19543	4.3
223.14777	3.8
225.16353	6.4
227.17964	6.1
229.19460	3.9
231.21004	1.8
235.14906	1.9
237.16391	3.4
239.17854	5.0
239.20110	1.5
241.19572	6.6
243.21104	4.7
245.22675	1.8
251.17944	2.9
253.19484	4.3
255.21086	5.2
256.26315	13.6
257.22546	3.9
257.26630	11.3
265.19525	1.7
267.20959	2.2
269.22736	6.4
271.24185	2.6
274.27328	1.4
279.21112	1.6
281.22620	5.2
283.24158	4.8
284.26544	3.3
284.29376	2.4
285.25699	1.4
285.29819	4.8
291.20972	1.6
295.24265	3.4
297.25629	3.1
307.24258	1.7
309.25720	2.9
311.29535	8.5
312.29657	11.6
321.25690	2.9
323.27197	2.0
325.28970	1.9
333.25632	1.8
335.27316	2.2
337.28943	3.0
349.28802	3.4
351.30460	2.4
363.30621	2.5
391.33243	2.7
403.33368	1.8
405.35342	2.7
417.35098	3.9
419.36768	1.8
431.36557	2.3
459.39636	5.1
471.39713	2.0
485.41357	3.0
541.47339	100.0
541.54004	50.7
542.47913	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4761
Annotation	9,9'-dicis-zeta-Carotene
Peak:m/z	Relative Intensity
55.05492	12.5
57.07071	12.7
60.74920	1.9
62.15425	2.1
67.05225	1.9
67.05497	23.3
69.06714	3.6
69.07059	50.9
69.59927	9.7
69.60346	7.5
71.08617	3.8
72.08936	2.2
79.05488	16.4
81.07047	100.0
83.08598	14.4
85.35944	2.3
91.05453	9.7
93.07031	37.0
95.04940	3.4
95.08590	67.6
95.15308	2.2
97.10130	7.7
102.09158	5.0
105.07024	33.6
107.08585	43.0
109.09447	3.9
109.10143	50.4
111.11709	5.1
117.07013	3.9
119.08574	34.9
121.10127	38.9
123.11682	22.2
129.07043	3.3
131.08554	11.1
133.10104	21.1
135.11667	26.1
137.13255	10.8
143.08502	7.8
145.10112	23.2
147.11667	27.2
149.13197	19.0
155.08548	5.2
157.10085	17.2
159.11702	24.5
161.13206	19.4
163.14838	11.4
169.10052	9.2
171.11676	13.3
173.13228	21.8
175.14796	13.2
177.16373	6.5
183.11702	9.4
184.12408	2.6
185.13219	12.8
187.14777	13.7
189.16333	10.1
191.17932	2.5
195.11670	3.2
197.13144	7.0
199.14763	11.5
201.16348	11.9
203.17937	9.5
209.13243	5.1
210.13927	3.0
211.14754	7.6
213.16342	10.4
215.17903	7.9
217.19363	5.6
223.14862	2.8
225.16296	7.4
227.17844	7.4
229.19427	5.7
237.16322	2.6
239.17775	5.1
241.19339	4.4
245.22505	4.1
251.17969	3.2
253.19647	3.7
255.21088	4.3
256.26300	4.0
257.22427	5.5
257.26620	3.9
265.19669	2.8
267.21048	5.2
269.22552	3.3
271.24130	5.3
276.98413	3.0
279.21143	5.5
281.22537	4.9
283.24057	3.9
295.24133	5.8
308.24847	2.3
311.29697	2.8
312.29700	6.2
323.27258	4.4
335.27094	3.3
337.28708	4.1
349.28439	2.7
363.30457	3.7
391.33386	2.8
405.35278	4.0
459.39706	3.8
485.41263	3.6
541.47253	96.8
541.53986	17.1
542.47772	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	541.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.9
53.03935	4.8
55.01862	2.2
55.05502	18.9
57.03433	2.2
57.07063	3.4
59.04991	0.6
65.03926	4.0
67.05493	62.8
69.03397	2.4
69.07057	13.5
69.37605	0.5
69.38004	4.8
70.06569	0.6
71.04975	2.6
71.08614	1.3
73.06538	1.1
73.06918	0.5
75.49726	0.5
76.07980	0.4
77.03925	0.8
77.59908	0.4
79.05479	71.3
80.06218	0.5
81.03404	6.6
81.07044	52.8
82.07385	0.6
82.67638	0.4
83.04967	8.5
83.08604	7.9
83.89194	0.4
85.06523	1.7
85.10192	0.5
88.07622	1.0
91.05465	54.2
93.07027	66.4
94.07352	0.6
95.04952	17.2
95.08589	35.5
97.02878	0.6
97.06516	4.4
97.10146	3.4
99.08070	1.1
102.09177	1.0
103.05434	1.6
105.04515	2.3
105.07011	35.9
107.04941	4.9
107.08576	23.7
109.06522	4.5
109.10136	9.8
111.07366	0.5
111.08070	1.9
111.27544	0.4
111.68211	0.5
112.91161	0.4
115.05456	1.4
116.64955	0.4
117.06992	11.5
119.08558	22.4
121.06482	1.5
121.10123	14.1
123.08052	4.3
123.11671	1.7
125.05988	0.5
125.09574	0.5
127.07552	1.4
128.06177	1.6
129.06985	10.8
131.08534	9.1
133.05449	0.5
133.06450	0.7
133.10107	11.4
135.08061	0.8
135.11671	9.2
137.13200	0.6
141.06990	1.2
141.09135	0.7
143.08540	7.9
145.10085	10.8
147.08067	1.9
147.11662	24.7
149.13232	3.4
151.11185	0.5
155.08568	1.4
156.09286	1.1
157.10107	2.0
159.11690	4.1
161.09572	3.1
161.13231	9.5
163.11153	0.5
163.14821	0.7
169.10123	1.7
171.11658	19.0
173.13281	3.1
175.14825	1.0
179.14359	0.6
181.10123	0.6
183.11687	1.1
185.13307	1.6
187.14857	1.7
189.12715	8.6
195.11670	1.0
197.13283	1.5
199.14764	0.7
201.16382	0.6
207.13765	23.3
209.13348	0.7
213.16133	0.5
223.14766	0.6
225.14740	2.4
227.61139	0.5
235.46793	0.5
243.21049	1.1
256.26364	1.9
257.26550	1.0
261.22144	2.6
263.16586	0.5
264.52524	0.5
281.17514	1.5
311.29419	2.0
312.29816	1.3
317.24762	1.5
335.25757	0.6
449.34009	1.8
467.35272	0.6
485.35791	1.0
523.38080	1.7
540.53333	1.9
541.38818	100.0
541.53351	6.0
542.39020	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01857	3.7
55.05501	15.6
57.03424	4.2
57.07061	6.7
61.02902	1.5
66.94231	1.7
67.05175	1.6
67.05495	21.9
69.03414	14.2
69.07055	44.1
70.02847	6.8
71.04980	12.6
71.08619	3.3
79.05476	14.7
81.03422	3.6
81.07042	100.0
83.08599	19.0
85.02888	13.3
85.06529	41.5
91.05468	9.5
93.07022	56.7
95.04958	8.1
95.08591	62.8
97.02836	3.2
97.06525	18.4
97.10141	6.5
98.21384	2.4
99.04450	4.7
99.08068	16.8
101.05976	2.0
103.05469	1.7
104.32212	1.5
105.07009	21.0
107.04973	1.7
107.08585	35.0
109.02873	3.5
109.06499	5.5
109.10133	48.2
111.08057	26.3
111.11680	6.2
113.05980	6.2
113.09637	3.2
115.03840	1.6
115.07491	3.1
117.06989	3.1
119.08571	16.8
121.06416	2.2
121.09293	2.8
121.10126	35.4
123.04408	1.8
123.08035	2.1
123.11689	40.7
125.09619	5.1
125.13232	1.6
127.03925	3.2
127.07580	3.5
127.11127	4.1
129.09113	16.5
131.04942	2.8
131.08510	3.1
133.10091	13.0
135.11676	21.7
135.15764	1.9
137.05984	17.0
137.09570	3.5
137.13248	11.7
139.11101	11.5
141.12711	3.2
143.08632	2.1
145.10110	4.7
147.09190	2.4
147.11676	17.0
149.05977	2.2
149.13226	27.1
151.11162	9.5
151.14806	3.8
153.01819	15.4
153.12750	11.8
155.14282	2.1
159.11639	8.5
161.05997	2.8
161.13246	8.1
163.11163	2.5
163.14781	11.5
165.12694	9.1
167.07054	5.5
167.14270	6.2
169.12234	5.6
173.13245	4.7
175.14796	5.9
177.16318	7.2
179.07053	1.8
179.17850	2.1
181.08600	2.3
183.13817	4.0
187.13216	3.1
187.14772	2.2
189.16368	6.6
191.14288	2.3
191.17891	3.9
193.15892	2.4
197.18994	1.9
201.16273	2.5
203.17920	12.9
209.15318	2.9
209.19115	1.6
211.16937	5.5
212.17195	3.6
215.17924	6.0
217.19418	1.9
221.19012	15.7
225.18512	1.9
233.18979	6.4
239.20007	31.4
251.20100	18.8
259.24088	2.3
263.23877	1.8
269.21091	14.0
271.24228	9.6
277.25345	8.4
289.25183	26.2
295.26312	9.2
307.26248	70.7
325.27338	26.2
343.28293	17.4
361.29526	9.2
379.30307	2.3
495.88068	1.7
523.26373	2.7
541.21069	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	541.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
55.01850	2.6
55.05503	9.5
57.03421	5.9
57.07063	8.0
57.99713	1.7
59.04979	2.3
60.13161	1.8
67.05497	23.0
69.03430	9.9
69.07056	27.1
69.64626	13.9
71.04984	15.5
71.08607	2.8
73.02904	1.9
73.20495	1.5
79.05476	15.9
81.03413	3.4
81.07046	100.0
83.04965	5.6
83.08607	13.0
85.02886	24.8
85.06534	30.0
91.05463	18.8
93.07036	35.5
95.04985	10.3
95.08595	60.5
97.02860	4.8
97.06527	13.8
97.10166	4.6
99.04461	3.5
99.08069	12.5
101.05977	2.9
103.05441	1.9
105.07008	22.6
107.08584	33.2
109.06501	7.9
109.10144	43.2
111.04413	2.6
111.08080	25.0
111.11710	5.4
113.05949	8.2
113.09669	1.9
115.03926	1.8
115.07548	2.9
119.04953	6.7
119.08569	15.0
121.06478	3.8
121.10130	22.5
122.10469	1.8
123.08061	4.2
123.11690	41.4
125.09638	4.3
127.03912	4.9
127.07553	7.6
127.11133	3.1
129.05501	3.6
129.06979	6.6
129.09099	9.1
131.04906	8.5
131.08537	4.1
133.06468	3.2
133.10127	10.9
135.08009	2.7
135.11674	19.0
137.05954	44.3
137.09584	3.5
137.13240	13.5
138.06313	9.6
139.11157	9.3
141.12752	2.4
145.10095	7.5
147.04388	5.2
147.06604	1.9
147.09222	3.0
147.11665	10.6
149.05989	8.6
149.13228	17.1
150.06216	2.1
151.03857	2.4
151.07529	33.6
151.11145	10.4
152.07829	12.7
153.01768	4.2
153.12749	7.3
155.10648	2.5
157.06491	3.4
158.06787	2.4
159.11644	13.5
161.06021	8.4
161.09584	2.8
161.13223	8.0
162.06407	3.0
163.07509	19.7
163.11159	3.4
163.14787	7.7
164.07867	2.2
165.09074	3.8
165.12741	4.1
167.07011	6.4
167.08467	3.8
167.14267	2.2
169.12222	4.4
171.13814	2.9
173.13257	6.8
174.06830	2.1
175.07472	9.0
175.14777	6.1
177.05450	2.3
177.09146	3.3
177.16385	4.7
179.06993	5.6
181.12259	3.3
183.13734	2.5
185.15454	2.1
189.09116	11.6
189.16341	4.6
190.09476	5.3
191.07059	7.1
191.17975	2.4
193.06544	2.2
193.08565	2.9
193.15833	2.5
195.08075	4.3
196.08408	4.9
199.07501	2.9
201.09044	2.2
203.06956	3.7
203.17932	6.2
205.08614	3.1
205.19533	1.8
207.10138	3.6
207.17511	2.4
215.17917	18.2
217.08559	5.1
219.10094	2.6
221.18967	11.3
223.07552	2.6
225.09000	2.6
226.09453	2.2
227.10672	7.1
228.10986	7.9
229.08641	2.5
233.08252	2.5
233.18932	15.3
239.19991	19.1
250.09399	2.2
251.20042	67.1
253.08563	1.9
253.12109	2.7
254.08960	4.4
254.12564	3.0
255.10048	4.4
256.10370	8.1
259.09680	2.3
269.21017	17.5
271.24194	5.5
277.10587	2.3
277.25241	6.4
282.11954	2.9
285.11145	7.2
286.11542	8.1
287.12711	8.3
288.13031	9.4
289.25189	22.8
295.11789	3.7
295.26358	4.2
307.11743	9.7
307.26260	42.9
313.14264	6.5
314.14697	12.9
325.27399	15.5
331.15323	36.1
332.15701	70.3
333.16165	3.6
343.28354	8.1
361.29474	6.8
375.17856	2.5
523.26080	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	540.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01860	2.5
55.05496	8.3
57.03425	3.9
60.75598	2.1
67.05495	8.2
69.03425	14.9
69.07056	10.9
69.39388	21.7
71.04980	7.2
73.02892	2.8
73.06548	6.3
79.05480	14.4
81.03403	15.6
81.07045	24.7
83.04977	12.3
85.02890	16.5
85.06534	5.4
90.27592	2.0
91.05476	7.9
93.07022	34.4
95.04951	9.9
95.08612	14.6
97.02881	9.1
97.06520	22.1
99.04432	13.5
99.25795	2.1
101.05997	8.7
105.07011	27.3
107.04927	5.8
107.08560	21.7
109.02853	28.1
109.06466	15.8
109.10149	8.2
111.04456	2.2
111.08044	14.4
113.06011	4.5
117.06999	2.2
119.04936	4.0
119.08555	16.9
121.06486	44.1
121.10140	7.9
123.04337	4.0
123.08053	5.2
123.11702	9.6
125.05981	10.0
127.03892	32.1
127.07552	7.9
129.07016	3.2
131.08540	5.0
133.06488	5.0
133.10120	12.4
135.04442	3.6
135.08041	11.2
137.05954	15.1
139.07547	13.0
143.07016	12.9
143.08559	4.3
145.04971	2.3
145.10115	8.4
147.08113	3.4
147.11661	40.4
149.09491	3.0
149.13210	4.0
150.09981	2.3
151.03850	2.5
151.07516	5.1
151.11134	2.3
153.01715	2.2
153.27132	2.8
157.08609	6.4
157.10127	15.2
160.05367	2.2
161.05933	5.3
161.09625	2.1
161.13257	7.8
163.07489	4.0
165.09100	5.2
165.12683	21.7
166.23299	2.3
167.07042	5.9
169.12140	10.2
171.11624	13.2
173.09584	4.7
175.07558	2.2
175.11151	29.2
177.09085	4.4
181.08537	3.5
187.05960	6.3
189.12698	17.3
191.14328	2.9
193.12228	28.3
199.11166	21.7
205.07062	3.2
207.13751	11.6
209.15289	2.8
211.13234	17.3
211.16949	4.5
217.12193	65.5
219.10098	4.7
219.79919	2.6
229.14273	5.1
229.18018	7.4
235.13246	70.7
253.14316	100.0
259.11688	12.7
271.15317	23.6
289.16479	4.5
307.83881	2.4
313.16458	4.5
315.16010	2.9
331.17480	3.5
343.15552	5.7
361.16385	9.3
372.72992	2.8
379.17377	18.4
397.18423	29.4
415.19400	13.0
433.20795	5.0
541.22784	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	540.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32449	0.5
53.03927	0.8
55.05292	0.5
55.05502	5.4
57.03428	4.3
57.07061	1.0
59.05008	0.6
61.02896	1.7
67.05501	5.6
69.03417	5.5
69.07058	14.7
70.68127	1.9
71.04978	2.2
73.02913	10.0
76.80926	0.5
79.05463	1.8
81.03403	0.8
81.07047	7.6
83.04967	2.8
83.08600	2.2
85.02892	8.7
85.06509	1.0
85.26698	0.5
91.05451	2.5
93.07034	5.5
95.04955	0.8
95.08595	23.3
97.02876	9.0
97.06491	1.6
97.10148	0.7
99.04427	2.6
105.07013	5.5
107.08586	8.8
109.02866	0.7
109.06488	1.3
109.10143	19.3
111.08047	1.3
115.03904	6.1
119.08566	24.5
121.10121	5.5
123.08085	3.9
123.11715	3.9
125.09605	8.0
127.03884	3.5
131.11072	0.5
133.04938	2.2
133.10114	28.5
135.11674	11.6
137.09602	15.3
137.10515	0.3
137.13246	1.0
139.11096	1.1
145.04936	2.8
145.10103	1.1
146.62834	0.5
147.11674	6.0
149.13245	2.9
151.11140	1.0
151.14806	3.9
155.10564	0.8
160.12457	0.9
163.06023	1.7
165.16376	0.9
173.13193	0.5
175.14803	100.0
176.15125	1.4
193.15857	67.4
194.16295	0.9
211.16911	7.1
223.06071	0.6
241.06946	0.6
259.08078	2.1
295.10104	2.7
311.64203	0.5
314.72137	0.6
355.21286	0.9
463.26520	0.6
518.80939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.8
55.01839	2.2
55.05502	8.2
57.03427	4.3
57.07049	1.6
59.04962	0.8
61.02890	2.0
67.05496	7.3
69.03117	0.7
69.03413	7.2
69.07053	18.8
70.02108	3.0
70.02524	1.0
71.04976	2.7
73.02914	5.2
79.05465	1.8
81.03415	1.4
81.07043	7.7
83.04959	4.6
83.08609	3.4
83.46747	0.7
85.02889	14.6
85.06519	2.1
87.04443	0.8
91.05447	2.7
93.07031	5.5
95.04931	1.1
95.08591	26.8
97.02881	10.0
97.06485	1.5
97.10161	1.8
99.04415	2.9
99.08069	1.7
100.20352	0.7
103.03925	0.8
105.07024	5.7
107.08573	11.8
109.02884	1.0
109.06446	0.9
109.10133	23.4
111.08062	2.3
115.03899	4.2
117.42912	0.7
119.08562	27.0
121.10115	8.1
123.08070	3.4
123.11705	3.8
125.09604	9.3
127.03912	5.1
133.04913	5.5
133.10107	33.3
135.11664	12.2
137.05826	0.7
137.09589	18.5
137.13208	0.8
139.11093	1.1
141.09138	0.7
145.04941	4.8
145.10106	1.2
147.11673	4.3
149.13220	3.8
150.07571	1.2
151.14774	1.8
155.10672	1.0
160.12440	1.2
163.05992	3.6
165.16388	0.7
173.13281	1.0
175.14793	100.0
176.15152	1.3
177.16431	0.7
193.15846	64.4
211.16905	6.9
221.21481	0.9
223.06235	0.8
259.08139	2.3
295.10178	2.2
325.20087	0.8
348.37967	0.8
355.20898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01868	2.6
55.05495	5.6
57.03423	12.2
59.04994	2.1
59.40267	1.6
61.02932	2.2
67.05486	6.3
69.03415	12.6
69.07053	7.6
71.04983	71.6
71.62180	3.9
73.02896	4.1
75.04488	2.2
79.05489	4.5
79.32923	1.4
81.03416	3.9
81.07056	13.6
83.04970	4.7
83.06297	1.7
83.08623	3.1
85.02890	80.3
85.06535	3.2
87.04452	3.1
90.98988	1.6
91.05479	8.0
93.07018	8.6
95.04946	7.0
95.08581	12.7
97.02869	7.1
97.06517	6.0
99.04436	3.3
103.05452	19.5
105.07024	9.2
107.04927	3.8
107.08581	9.6
109.02865	1.8
109.06519	3.1
109.10159	11.3
111.04408	4.8
111.08066	1.9
115.03905	3.4
115.07542	2.4
119.04901	7.9
119.08567	9.0
119.84984	1.6
121.06486	5.8
121.10120	5.3
123.08066	4.1
123.11687	7.0
125.05993	2.7
125.09626	2.2
127.03899	2.7
129.05466	16.0
129.06967	2.0
131.04912	83.1
131.08568	3.2
133.02823	3.8
133.04916	2.4
133.06438	4.1
133.10120	16.5
135.08025	3.1
135.11676	15.5
137.05952	23.0
137.09566	3.7
145.06461	2.2
147.04401	11.6
147.06461	7.7
147.11598	2.0
149.05983	9.5
149.13235	5.1
151.07518	15.1
153.01765	5.7
153.05469	6.1
153.12735	2.0
159.11510	1.7
161.05934	6.9
162.06723	11.1
163.07515	100.0
164.09261	2.0
165.05467	3.7
165.07095	1.5
165.12720	1.6
167.07040	10.3
173.05939	2.6
173.13251	4.2
175.07550	3.3
175.11272	1.7
175.14795	25.5
177.05441	6.0
177.16280	2.3
179.07014	17.7
181.08546	11.3
187.07561	2.6
189.05545	2.5
189.09106	2.6
191.07019	3.4
193.04973	4.6
193.08635	3.7
193.15846	29.3
195.06470	1.7
197.08040	14.7
203.06975	3.0
209.08092	3.1
211.16916	59.8
217.12143	1.7
219.06364	1.9
219.10123	1.9
221.08069	5.5
223.09576	3.1
227.12762	2.3
231.06522	2.0
235.13387	1.9
239.09082	4.6
247.09657	2.2
255.10185	1.9
263.09128	6.4
279.12262	3.2
287.12811	3.6
289.10742	6.3
295.10294	2.1
306.25177	1.8
307.11755	7.0
313.14038	2.5
325.12817	12.4
327.12299	13.3
331.15237	13.0
341.13876	1.8
358.13779	3.0
359.14899	10.3
360.15198	1.6
371.14664	2.9
377.15839	7.4
389.15753	4.7
402.15952	2.4
413.15741	2.4
439.17459	3.6
469.18591	6.1
473.94034	2.0
494.34241	1.7
508.20349	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	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.8
55.05498	1.3
57.03408	2.0
65.19766	0.6
67.05484	1.4
68.05810	0.6
69.03400	2.2
69.07035	2.4
69.32144	1.7
69.32555	4.5
71.04971	1.4
73.02896	1.7
79.05476	3.2
81.03392	2.2
81.07041	4.5
82.07381	1.1
83.04953	1.4
85.02897	4.4
85.06519	1.3
90.05542	1.6
91.05461	5.5
93.07031	4.4
94.07321	0.8
95.04935	2.3
95.08591	3.2
97.02866	2.8
97.06502	2.1
99.04427	1.3
99.08049	0.6
102.17524	0.6
105.07013	3.8
106.07335	1.0
107.04926	1.4
107.08588	3.6
108.08910	1.0
109.02856	3.0
109.06482	2.1
109.10130	3.6
110.10470	0.8
111.04384	0.8
111.08072	1.2
115.05421	1.1
117.06997	0.9
119.04919	3.1
119.08568	2.1
121.06450	2.2
121.10114	2.7
122.06842	1.2
122.10401	0.6
123.08041	1.3
123.11659	1.2
123.55080	0.6
124.71156	0.6
125.09581	0.9
127.03880	2.6
128.06215	0.9
128.63699	0.7
129.06999	5.4
131.04886	2.3
131.08540	6.2
133.06470	1.0
133.10100	2.1
134.10405	1.0
135.07976	1.3
135.11656	2.3
137.05956	16.7
137.09563	0.8
138.06320	0.9
139.07478	1.2
141.06947	4.5
143.08409	0.7
144.05656	1.0
145.04913	1.5
145.08521	0.8
145.10075	1.1
147.04379	2.7
147.11656	2.4
148.12000	1.5
149.05959	2.7
149.13266	1.3
151.03839	1.2
151.07521	19.1
153.01799	2.9
157.06487	5.9
158.07288	1.6
159.08058	4.9
160.05171	0.8
161.05969	3.1
161.09605	1.1
161.13258	0.6
163.07526	4.5
163.11241	0.7
165.06941	0.7
165.09084	1.1
165.12688	0.8
167.07005	1.1
167.08487	1.4
167.10725	0.6
169.06422	1.7
170.07248	1.2
174.06738	9.4
175.07509	3.3
175.11066	0.7
175.14810	1.3
177.09071	1.5
186.06693	1.9
189.09082	28.7
189.12714	1.0
190.13057	0.7
191.10658	3.0
192.10950	0.7
192.14580	0.7
193.08580	0.6
193.10263	0.7
193.12155	0.7
193.15842	1.9
194.12564	0.9
195.08026	2.7
201.09096	7.5
203.10593	0.8
207.10063	1.6
207.13805	0.8
209.15367	1.0
210.15598	0.7
211.13303	0.9
211.16858	1.5
212.13464	0.7
217.12250	1.4
218.12579	1.6
219.10129	100.0
220.10068	0.9
220.11774	2.5
221.05986	1.5
221.09628	1.7
223.07541	1.6
225.08971	1.2
227.10649	5.0
227.12630	1.2
228.13069	0.6
235.13304	1.9
236.13596	2.0
237.11194	2.5
249.09067	1.1
253.08530	1.6
253.12144	2.1
253.14378	2.0
254.14690	2.9
255.10144	5.0
272.10446	0.9
275.17673	0.6
281.11676	1.8
283.66705	0.8
285.11078	3.8
287.12720	9.6
313.14282	9.3
324.25940	1.2
325.14111	1.7
331.15341	42.1
332.15485	1.0
343.15369	1.3
354.16159	0.7
360.21335	1.1
457.76724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01866	0.8
55.05501	1.2
57.03424	1.7
67.05486	2.0
69.03416	2.6
69.07043	2.1
69.77331	3.9
71.04981	2.5
71.36075	0.6
72.83399	0.6
73.02902	1.9
73.06556	0.7
79.05482	2.0
81.03403	2.6
81.07044	5.1
83.04965	2.0
85.02916	4.1
85.06516	1.7
87.08076	0.7
89.43048	0.8
90.05536	2.3
91.05470	3.6
93.07031	5.4
94.07348	1.4
95.04951	2.1
95.08591	4.8
97.02871	2.2
97.06510	2.0
98.20848	0.8
99.04444	1.8
105.06990	3.0
106.07340	1.3
107.04969	0.9
107.08611	4.3
108.08937	1.0
109.02857	2.1
109.06491	2.9
109.10128	2.9
110.03149	0.9
110.10479	0.7
111.08086	1.3
119.04910	2.3
119.08550	2.2
120.08946	1.1
121.06487	3.2
121.10122	2.9
122.10462	1.1
123.08035	1.3
123.11665	1.5
124.07584	1.2
124.12077	0.9
125.05991	1.2
125.09659	0.6
127.03888	3.0
128.06200	0.7
129.06984	4.9
131.04915	1.7
131.07010	1.0
131.08545	6.0
133.10117	2.7
134.10481	1.0
135.07997	1.9
135.11667	1.5
136.07382	0.7
137.05957	12.6
137.55611	0.8
138.06305	1.5
139.07539	1.4
141.06963	3.6
145.06471	0.8
145.08646	0.9
145.10083	1.8
147.04402	3.9
147.11641	2.2
148.12000	1.4
149.05998	2.6
149.13164	0.8
151.03941	1.5
151.07526	13.7
153.01823	3.9
153.12703	0.8
154.13084	0.8
157.06477	5.6
157.10095	1.4
158.07242	1.5
159.08035	4.7
159.11732	0.7
161.05894	1.7
161.09630	1.3
161.13306	0.8
163.07559	2.8
163.11136	0.9
165.09195	0.8
165.12746	1.7
167.07047	1.6
167.08492	1.7
167.14328	0.7
169.06447	1.9
170.07278	0.8
174.06738	9.6
175.07553	4.9
175.11124	1.6
175.14880	1.7
176.11504	0.9
177.09071	1.9
179.07150	0.8
186.06755	2.0
187.07458	1.0
189.09085	22.3
189.12694	0.9
191.10646	3.3
191.14247	1.3
193.15906	1.8
195.08051	2.9
200.11453	0.8
201.09109	9.4
203.10600	1.2
207.10184	1.8
209.15364	1.6
210.06676	0.7
210.15747	1.0
211.13321	1.6
211.17006	1.1
217.12314	0.8
218.12592	2.2
219.10144	100.0
220.12070	4.8
221.09576	0.8
223.07419	1.5
227.10608	2.8
227.12695	1.3
229.14294	0.8
235.13228	2.3
236.13635	2.3
237.11215	2.8
253.08505	1.8
253.14490	3.3
254.14651	4.4
255.10037	4.5
285.11078	2.3
287.12747	6.4
306.25018	1.5
313.14294	7.0
324.25928	1.2
325.14233	0.9
331.15353	29.9
332.15652	1.0
343.15387	0.9
360.21866	1.0
362.16336	0.8
447.66165	0.9
540.20471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98784	0.6
55.01862	1.3
57.03406	1.6
60.91423	0.5
66.94618	0.6
67.05481	1.4
69.03397	2.2
69.07047	1.3
69.34377	2.6
69.34799	3.1
71.04972	1.4
73.02885	0.6
78.04386	0.5
81.03378	1.8
81.07026	2.1
82.07380	0.6
82.38833	0.5
83.08575	1.0
85.02889	7.9
85.06497	0.5
89.04276	0.5
91.05468	6.8
93.07006	0.7
95.04948	2.5
95.08588	2.2
97.02866	3.5
97.06506	0.9
98.20707	0.6
99.04414	1.1
103.05437	0.8
103.15683	0.5
105.06982	1.3
107.04926	1.3
107.08545	2.1
109.02824	0.7
109.06491	1.6
109.10095	2.8
111.08054	0.6
115.03959	0.5
115.05406	0.6
119.04912	6.1
119.08532	1.3
121.06488	2.3
121.10129	1.3
122.03625	1.5
123.08005	0.9
123.11697	0.7
127.03883	1.5
129.06955	3.7
131.04895	1.9
133.04956	0.9
133.10100	1.3
135.08032	2.1
135.11656	1.5
136.05185	0.9
137.05954	28.3
145.04933	1.9
145.06438	1.6
147.04362	0.8
147.07993	0.6
149.05971	4.3
151.03879	0.9
151.07520	35.3
157.06461	3.8
161.05957	4.7
161.09583	0.7
163.06119	0.8
163.07515	9.3
165.06970	1.5
165.09073	1.9
167.07202	0.8
167.08527	2.9
174.06750	2.1
175.07506	2.4
175.14792	2.1
177.05479	1.2
177.09006	3.3
178.07730	0.8
181.06592	0.5
181.09987	0.6
182.07079	0.6
189.09058	12.3
192.76308	0.6
193.06482	1.3
193.08502	0.6
193.10130	2.0
193.15919	3.5
194.07243	0.6
195.08015	7.4
203.08607	0.8
207.10147	2.3
209.09619	1.0
210.06792	1.2
211.16920	4.6
212.08252	1.1
221.05945	2.9
221.09532	3.4
221.11507	0.6
223.07494	4.3
224.08366	1.4
225.09088	3.0
227.10658	11.4
237.09116	1.6
237.54840	0.6
238.06281	1.0
238.09947	0.7
239.06909	0.7
240.07870	0.9
241.12297	0.9
249.09106	2.4
252.07761	0.8
253.08527	4.9
253.12169	5.7
255.10124	11.4
267.10086	2.0
269.08026	1.0
269.11618	1.0
270.08609	0.8
272.10199	0.9
281.11661	2.0
284.10516	0.7
285.11172	7.4
287.12744	19.5
298.12109	0.6
299.12677	1.3
299.17874	0.7
311.12671	0.7
313.14282	17.7
331.15338	100.0
332.15768	1.8
336.26770	0.5
343.15384	3.1
463.24026	0.6
514.48151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01850	1.3
57.03423	10.7
69.03412	5.4
70.14951	1.7
70.15356	3.0
71.04980	66.5
73.02901	1.4
75.04443	1.5
79.05467	1.2
83.04955	2.0
85.02890	65.5
87.04456	2.1
91.05473	5.0
93.07044	1.6
95.04953	3.5
98.21439	1.4
99.04442	1.3
103.05450	20.7
104.61460	0.8
105.07027	2.7
107.04945	2.2
109.06501	1.9
111.04422	3.6
117.07047	1.5
119.04903	4.8
121.06503	2.9
122.03651	1.0
123.08067	2.3
125.05955	0.8
129.05458	19.3
129.06937	1.1
130.04140	1.5
131.04904	84.6
133.02829	2.0
133.06474	3.0
135.04350	1.1
135.08035	1.6
137.05969	9.1
141.81241	0.8
145.06479	2.1
147.04396	9.0
147.06473	5.8
149.05954	6.8
150.06760	1.6
151.07530	8.8
153.05420	6.2
157.06445	1.2
161.05983	4.1
162.06738	6.4
163.07516	100.0
164.09146	1.4
165.05476	3.5
167.06985	5.8
173.05977	1.4
175.07515	1.2
177.05582	3.7
179.07011	18.7
181.08589	10.0
187.07574	1.1
189.05388	1.7
191.06984	5.0
193.04942	2.8
193.08606	1.6
195.06546	1.5
197.08060	11.2
199.09601	1.6
201.09100	1.4
203.07036	3.0
205.08531	1.4
209.08076	2.0
213.05380	0.9
217.08598	1.4
219.06502	1.2
219.10110	0.9
221.04581	1.3
221.08052	6.9
223.09656	2.4
233.08173	1.6
235.09590	1.5
239.09007	4.5
245.08058	1.3
247.09677	1.5
261.11163	2.3
263.09189	5.6
271.30399	0.8
275.94012	0.8
279.12265	1.5
289.10669	4.4
307.11731	8.3
315.12256	1.2
325.12775	11.8
327.12143	11.0
341.13644	1.3
345.13290	1.2
347.14954	1.2
359.14828	6.7
371.14932	1.8
377.15979	7.2
389.15863	3.0
413.16013	2.6
439.17471	1.9
457.93451	0.9
469.18512	7.3
487.19516	1.6
547.27509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83804	0.3
52.40668	0.3
53.03929	0.5
53.04647	0.3
55.01863	3.1
55.05506	0.4
55.59214	0.3
57.03430	5.6
59.04985	0.9
61.02913	2.6
64.40503	0.3
64.75629	0.3
65.03927	1.2
66.41362	0.2
67.05494	0.6
69.03419	8.5
69.07063	0.6
69.65860	1.8
69.66286	0.5
71.01344	1.1
71.04976	0.7
73.02906	10.6
79.05476	0.9
81.03403	1.9
81.07039	1.1
83.08617	0.4
85.02894	17.2
85.06541	0.4
87.04455	0.9
91.05466	100.0
92.05802	1.6
93.07018	1.6
95.04946	0.7
95.08602	1.8
97.02877	14.7
97.06531	0.4
99.04441	0.9
103.03931	0.8
105.07014	0.7
105.92872	0.3
107.04939	8.0
107.08571	0.7
108.05309	0.4
109.02882	1.4
109.10138	1.3
115.03916	6.4
115.07596	0.3
117.07027	0.4
119.08579	0.7
121.02934	0.3
121.10119	0.5
123.04382	0.5
127.03905	6.0
131.04903	0.6
133.04945	10.2
133.06474	0.4
133.10104	0.7
135.11684	0.4
137.05977	1.3
139.83958	0.3
145.04932	7.8
147.11732	0.4
151.03850	0.5
151.07545	0.6
161.05803	0.3
163.06003	1.9
163.07216	0.3
165.16382	0.9
167.07028	6.3
168.07396	2.4
175.14801	0.4
189.09024	0.3
193.15862	0.7
194.08910	0.3
211.09560	0.5
211.16980	1.1
223.06038	0.8
229.08540	4.7
229.17932	0.9
241.06993	1.5
259.08258	0.9
268.59927	0.3
277.09055	0.3
325.27283	0.3
492.70102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.6
53.03926	1.2
54.57808	0.4
55.01863	3.5
55.05497	0.6
57.03424	5.9
59.04984	0.5
61.02913	4.0
63.80822	0.4
65.03915	1.1
67.05481	1.2
69.03065	0.8
69.03417	10.4
69.07050	1.4
69.80389	2.8
71.01347	1.4
71.04964	2.3
73.02905	22.4
79.05470	1.5
81.03410	1.7
81.07056	2.4
81.81535	0.4
83.04977	1.0
83.08627	0.5
85.02891	23.0
85.06535	0.6
87.04449	1.5
91.05463	100.0
92.05826	0.7
93.07033	1.2
95.04939	1.3
95.08587	1.6
97.02872	17.0
99.04440	1.3
103.03957	1.3
103.05418	0.6
105.07013	1.2
107.04936	43.8
107.08584	1.4
108.05273	0.7
109.02861	2.6
109.10129	1.2
111.04432	0.5
115.03912	8.4
119.08543	0.5
121.06472	1.5
121.10073	0.9
123.11696	1.1
127.03895	8.5
131.04941	1.6
131.08525	0.5
133.04941	11.1
133.06445	0.7
133.10097	0.9
135.08049	0.6
135.11664	0.8
137.05949	2.5
145.04926	8.7
145.06572	1.0
145.08636	0.6
145.10094	0.6
147.07959	0.5
149.05966	1.4
149.09496	0.5
149.13188	0.5
153.01819	1.3
161.05960	1.2
163.06010	2.9
163.07494	1.1
167.07033	6.8
168.06166	0.4
168.07304	2.3
169.05128	0.5
173.05963	0.8
175.07513	0.5
181.04895	0.4
183.13739	0.5
191.07027	1.5
191.14235	0.6
193.15854	1.1
203.07089	0.6
211.16939	0.7
221.08105	0.8
223.05939	1.0
229.08580	8.4
229.17995	0.6
241.06990	2.2
259.08160	1.9
277.09000	0.6
295.10208	0.6
307.26288	0.5
362.10229	0.5
540.28766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.43
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.7
55.05500	12.4
57.03424	2.4
57.07067	42.6
61.02890	1.3
65.03938	1.5
67.05493	41.9
69.03394	2.4
69.07059	12.1
69.96330	3.4
69.96737	2.5
71.04984	36.6
71.08619	28.5
79.05475	15.3
79.22330	1.0
81.03408	1.2
81.07042	54.6
83.04972	7.4
83.08607	15.5
85.02908	1.3
85.06529	3.9
85.10168	13.3
87.04435	1.2
89.06030	3.1
91.05466	24.8
91.06004	1.8
93.07021	15.4
95.04945	3.2
95.08591	30.8
97.06530	4.9
97.10145	7.4
97.12318	1.0
99.11659	1.2
105.07025	11.2
107.08588	9.3
109.06487	2.6
109.10133	16.2
111.08099	1.1
117.07042	3.1
121.02921	1.9
121.10119	5.6
123.11692	14.2
131.08571	3.6
133.08604	2.0
133.10097	17.2
135.08113	1.7
135.11716	4.5
137.13260	1.9
147.04395	1.3
149.13229	5.2
151.11156	9.0
159.11630	5.1
163.11156	1.2
169.12262	1.2
175.38295	1.1
177.12772	3.7
183.13782	11.8
187.13358	1.5
195.13840	4.6
201.14963	1.3
209.11783	1.8
213.15092	1.4
227.12881	2.0
239.23674	8.4
269.17575	3.1
283.19107	2.6
285.17017	2.5
313.27332	2.7
327.20392	1.6
327.29095	2.1
339.28876	2.3
341.26987	3.0
495.40359	28.4
507.40530	2.4
521.17438	1.4
539.43188	100.0
540.43500	4.7
540.53363	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65266	0.9
52.83126	0.9
53.03925	1.2
55.01621	1.7
55.01867	25.7
55.05260	1.6
55.05506	18.7
57.03413	3.9
57.07069	49.2
65.03919	2.1
67.05495	32.1
69.03420	9.1
69.07056	16.6
69.36012	1.4
69.36414	10.3
71.04974	3.6
71.08622	33.0
73.02906	4.2
79.05053	1.6
79.05483	18.3
81.03406	7.4
81.07046	29.5
82.04198	5.2
83.01327	1.3
83.04974	10.0
83.08604	16.3
85.02885	2.9
85.10171	17.9
91.05474	13.7
93.07034	13.3
95.04952	8.9
95.08594	29.1
97.02872	1.9
97.06523	8.1
97.10168	9.7
98.07313	6.0
99.11717	2.1
105.07024	7.6
107.04929	2.6
107.08601	6.8
109.02847	1.7
109.06538	2.0
109.10142	15.2
111.04432	3.1
111.08043	4.1
111.11671	1.5
113.05981	1.3
115.05447	1.0
117.06997	3.0
119.08571	7.3
120.09321	1.2
121.06481	1.1
121.10123	4.1
123.08043	3.9
123.11694	7.2
125.09609	4.9
127.11175	4.8
129.06958	2.4
131.08542	2.6
133.10097	4.6
135.07991	1.3
135.11659	4.4
137.13211	2.5
145.10126	4.3
147.04382	4.2
147.08058	1.6
147.11707	3.3
151.14763	1.5
153.09125	1.0
157.10107	2.6
158.05721	3.2
163.11133	3.8
164.11908	1.6
171.06485	9.9
175.11171	1.2
181.12253	1.8
185.08075	3.0
190.04594	1.7
193.12225	2.1
195.59212	1.1
199.09715	1.0
209.11644	3.4
210.12518	1.6
227.12747	9.1
239.23660	13.0
255.15881	7.8
267.15887	1.1
269.17371	2.9
283.15302	3.9
283.18762	1.4
307.98993	1.0
311.22314	6.1
313.27335	10.4
339.25180	2.1
348.24112	1.2
353.26743	2.2
354.27588	3.2
367.24307	1.8
367.28418	16.1
381.29874	5.0
395.31549	11.8
409.33218	2.3
423.34543	2.7
437.36188	2.2
438.37003	9.9
451.33652	1.4
493.38589	1.7
521.38391	3.4
522.39093	1.4
539.29871	3.1
539.39307	100.0
540.39740	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	539.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
53.49633	1.4
55.01863	28.7
55.05502	23.4
57.03430	7.2
57.07066	57.2
58.99839	1.2
67.05494	35.6
69.03409	10.7
69.07056	19.2
71.04981	2.9
71.08620	34.9
73.02909	3.1
79.05482	22.2
81.03407	6.8
81.07046	39.9
82.04185	5.4
83.04964	17.6
83.08608	21.5
84.05769	1.3
85.02882	2.5
85.06516	2.0
85.10175	17.8
89.06042	1.5
91.05460	15.5
93.07033	15.4
95.04948	13.1
95.08593	40.0
97.02867	5.6
97.06518	10.1
97.10159	10.6
98.07289	5.6
98.20710	3.0
105.07004	9.0
107.04946	4.2
107.08575	10.4
109.06499	1.7
109.10135	19.5
109.38431	1.3
111.04425	14.2
111.08067	4.5
111.11640	1.4
116.04692	1.7
117.07038	3.7
119.08543	6.5
121.10141	6.0
123.08070	4.2
123.11694	6.6
125.09629	8.0
127.11176	4.9
129.06956	2.1
131.08562	4.7
133.10120	6.1
135.11725	6.5
137.09523	1.8
137.13196	3.0
145.06456	1.5
145.10123	6.0
147.07985	2.2
147.11696	4.5
149.09607	2.5
157.10144	3.2
158.05751	6.1
163.07591	1.6
163.11162	5.7
165.12749	1.8
171.06540	8.4
175.11147	1.6
181.12163	1.6
185.08092	5.0
190.04678	2.7
191.10725	2.4
192.11458	1.9
193.12117	1.4
199.09694	1.7
209.11703	42.6
213.11206	2.1
227.12733	16.0
239.23662	10.3
245.40912	1.3
255.15923	8.1
269.17487	2.5
271.16403	1.6
283.15366	19.5
283.18689	2.5
297.20734	1.4
311.22101	6.5
313.27316	14.4
353.26797	1.5
354.27493	3.2
355.04773	1.2
367.28366	13.7
381.30063	3.8
395.31485	7.6
409.33356	3.6
423.34891	2.3
437.35855	2.1
438.37036	9.6
493.39325	2.0
521.38251	13.7
539.39380	100.0
544.85614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31335	1.9
53.03930	2.1
55.01853	6.8
55.05505	19.8
57.03429	12.0
57.06819	2.2
57.07066	31.0
67.05176	2.1
67.05498	36.4
69.03420	3.5
69.07048	12.4
69.30549	12.5
69.30972	5.9
71.04975	4.3
71.08620	18.1
75.48046	1.8
79.05476	32.7
81.03393	4.8
81.07045	39.2
83.04977	4.8
83.08600	17.8
85.02856	1.8
85.10159	10.1
91.05457	23.4
93.06458	3.0
93.07030	38.0
95.04942	7.6
95.08591	44.0
97.02874	2.4
97.06501	3.0
97.10138	6.9
99.04453	2.5
103.05442	2.3
105.07017	22.9
107.04925	6.1
107.08575	21.6
109.06490	2.6
109.10143	9.2
111.04401	3.9
111.08068	2.7
111.11745	2.1
117.06984	11.8
119.08565	20.9
121.06499	5.7
121.10133	11.1
123.08013	2.9
123.11652	3.4
125.09602	2.0
128.06206	2.3
129.06978	9.7
131.08546	10.0
133.10083	10.8
135.08009	3.0
135.11679	28.3
141.06979	3.7
143.08525	11.5
145.10106	21.0
147.04407	4.6
147.11691	8.3
155.08540	9.3
157.10112	11.2
159.11676	6.9
161.13200	4.2
163.11159	29.8
167.08487	6.6
169.10123	10.2
171.11629	11.4
173.13284	3.3
176.55646	1.8
181.10085	7.6
181.12163	5.1
183.11615	10.2
185.13292	4.4
187.11113	1.7
191.10660	3.2
193.10165	3.4
195.11652	7.0
197.13193	6.7
199.14680	2.2
207.11646	4.5
209.09839	1.9
209.11687	5.7
209.13277	7.0
210.50671	1.9
211.14781	4.2
221.13210	4.0
223.14755	3.8
225.16452	2.5
227.12750	48.3
237.16492	2.4
239.23579	4.9
249.16518	2.3
259.20438	3.3
283.15344	37.1
313.27325	59.3
370.34210	2.0
391.26205	2.0
429.31442	3.9
447.32690	15.9
465.33636	4.8
483.34595	3.0
521.38245	50.2
539.37329	100.0
540.37134	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	539.2691
Annotation	Alangionoside O
Peak:m/z	Relative Intensity
52.89300	1.4
53.03935	3.5
55.01866	2.8
55.05497	6.6
61.02911	1.7
64.88714	1.6
67.05492	9.9
69.03416	10.0
69.07058	14.3
69.13860	1.4
69.60192	7.6
69.60616	3.9
70.53014	1.5
71.04984	12.5
79.05473	19.2
81.03399	18.0
81.07043	39.3
83.04972	16.2
83.08572	2.9
85.02886	11.5
85.06526	4.6
89.06031	3.1
91.05464	11.6
93.07027	41.7
95.04963	11.7
95.08591	20.4
97.02865	9.5
97.06519	20.8
99.04457	15.5
99.08089	2.4
105.07008	25.1
107.04935	4.8
107.08572	29.6
109.02855	21.4
109.06500	19.6
109.10139	12.9
111.04455	3.3
111.08062	13.2
113.05974	2.6
113.83767	1.4
115.07520	3.2
117.05469	3.7
117.06989	2.6
119.08559	18.7
121.06490	41.9
121.10125	13.1
123.04395	2.3
123.08049	5.6
123.11713	7.8
125.05946	10.4
125.09550	2.3
127.03899	30.5
127.07515	7.3
129.06987	3.5
131.08568	4.9
133.06532	2.2
133.10104	15.0
135.04369	1.7
135.08031	10.7
135.11682	6.4
137.05920	9.5
137.09595	2.4
139.07491	14.2
139.11153	2.0
141.05507	2.3
142.07790	1.9
143.07043	9.9
143.08540	5.7
145.04942	3.3
145.10065	7.4
147.04401	2.4
147.08031	2.7
147.11667	41.9
149.09650	2.6
149.13239	5.5
151.07430	2.0
151.11195	4.1
152.21463	1.4
153.01811	3.6
153.09111	4.1
153.12717	3.5
156.09373	3.1
157.08580	7.5
157.10109	12.5
159.06567	1.3
159.07977	2.9
159.11607	1.6
161.06004	2.3
161.09637	2.7
161.13232	8.5
163.11188	4.5
163.14761	1.5
165.12714	17.0
169.05075	1.5
169.12192	7.0
171.11667	13.4
171.13792	3.2
173.09593	3.1
173.13266	3.4
175.11162	24.7
179.14259	7.3
180.14653	5.2
181.10088	2.7
187.06010	7.4
187.07523	2.2
187.11140	1.6
189.09175	2.1
189.12697	16.2
191.14261	3.3
193.12227	21.3
199.11165	13.4
201.83379	1.4
205.06985	3.3
205.08664	2.0
207.13809	13.8
209.15335	5.7
210.15733	2.8
211.13258	18.4
211.16861	1.6
215.08844	1.6
217.12202	54.9
217.14276	3.0
219.10107	3.1
225.14781	1.9
229.14310	6.8
235.09764	1.9
235.13245	81.2
253.14311	100.0
271.15396	13.2
275.11197	7.0
287.23618	2.1
289.16418	3.4
295.15375	2.9
301.14117	1.8
305.24619	3.8
313.16522	3.5
315.15918	2.9
319.15561	1.9
323.25784	5.3
325.14322	1.8
343.15378	3.2
350.91101	1.7
361.16345	8.7
379.17371	11.6
397.18481	18.1
400.11456	1.7
409.49020	1.5
415.19583	3.6
425.45026	1.7
433.20612	1.9
485.24036	1.8
537.21844	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	7.7
55.01859	5.8
55.05494	8.7
57.03417	5.4
67.05485	12.7
69.03413	13.7
69.07059	16.6
69.80611	18.7
71.04990	18.6
79.05482	21.6
81.03406	20.3
81.07037	46.1
83.04980	23.9
83.08610	9.6
85.02901	21.7
85.06538	5.8
88.67687	2.9
91.05468	14.8
93.07033	52.1
95.04954	35.9
95.08580	32.9
96.05288	6.4
97.02871	16.9
97.06519	33.5
99.04444	22.1
105.07032	30.9
107.04931	6.2
107.08580	44.1
109.02861	31.5
109.06500	27.5
109.10137	17.3
111.08059	15.6
113.06015	7.6
115.07495	2.8
119.08568	22.2
121.06484	53.5
121.10124	12.1
123.04388	4.2
123.08051	8.9
123.11734	13.4
125.05991	17.0
127.03912	38.8
127.07548	9.9
129.06992	3.8
131.08543	8.9
133.06474	5.5
133.10103	21.8
135.08017	15.8
135.11658	5.7
137.05986	5.2
137.09596	3.3
139.07515	16.0
142.07718	3.6
143.07008	9.9
143.08577	6.6
145.04962	6.0
145.10095	8.1
145.29097	2.8
147.08008	7.3
147.11664	52.3
149.09586	5.4
149.13239	5.4
151.07529	3.7
151.11153	10.5
153.01808	10.3
153.09094	8.9
153.12698	9.5
154.09412	4.7
155.08458	3.8
157.08701	6.2
157.10101	19.5
159.11592	3.0
161.13246	11.2
163.07523	3.8
163.11211	3.3
165.12715	22.3
166.56731	2.7
167.14299	5.3
168.14651	3.8
169.12213	8.8
171.11650	12.6
173.09543	2.8
173.13219	3.1
175.11150	36.8
187.05959	11.2
187.07448	3.2
189.12744	26.9
193.12201	30.4
199.11145	27.3
205.07121	6.9
207.13760	16.4
209.15315	37.5
210.15680	38.8
211.13264	20.8
217.12195	74.8
228.16794	3.6
229.14360	8.9
235.13260	91.8
253.14323	100.0
255.19507	2.9
271.15280	19.2
275.11136	5.3
305.24707	4.8
313.16495	4.6
319.15045	4.5
323.25735	4.0
343.15192	4.9
361.16333	7.4
379.17303	18.0
397.18393	17.9
432.18781	3.1
550.92731	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19140	1.5
53.03939	4.4
55.01876	3.9
55.05500	6.5
57.03411	4.4
57.07060	1.9
65.03936	2.8
67.05499	16.5
69.03416	8.5
69.07070	10.9
70.50858	7.2
71.04984	10.7
73.02882	2.0
76.02940	1.6
79.05488	13.0
81.03406	12.0
81.07050	36.5
82.07392	2.1
83.04986	10.9
83.08593	3.2
83.81057	1.4
85.02908	10.4
85.06524	8.6
87.04456	3.6
91.05464	22.4
92.05817	2.6
93.07042	21.1
94.04160	2.9
94.07354	3.1
95.04944	12.5
95.08602	15.0
97.02875	6.5
97.06534	9.2
98.06867	2.0
99.04453	6.6
99.08080	3.9
103.05441	4.9
105.07017	22.6
106.07349	2.5
107.04932	11.6
107.08592	17.1
109.02860	8.7
109.06541	9.4
109.10150	10.5
111.04423	3.5
111.08064	5.4
113.05999	5.8
113.09595	2.1
115.05405	5.5
117.06997	7.6
119.04916	7.2
119.08591	12.7
121.06493	13.9
121.10140	15.5
122.03620	4.5
122.06828	2.4
123.04429	5.8
123.08054	5.9
123.11691	10.1
125.05980	7.7
127.03909	13.9
127.07539	5.2
128.06206	3.4
129.06975	7.0
131.04922	11.5
131.07043	4.5
131.08524	7.1
132.05669	1.7
133.06461	4.7
133.10129	9.2
135.04408	4.2
135.08043	4.7
135.11671	4.1
137.05962	100.0
137.09590	2.9
139.07491	2.7
139.11154	2.0
141.06999	2.4
143.04922	2.2
143.07014	1.9
143.08560	4.1
144.05667	2.3
145.04944	2.3
145.06441	5.2
145.10126	6.4
146.03674	2.0
147.04358	8.2
147.08034	4.7
147.10632	2.7
147.11678	26.1
148.11987	6.0
149.05951	7.0
149.08110	3.7
149.09613	4.1
149.13217	5.8
150.06711	1.8
151.03879	4.7
151.07524	37.3
151.11107	2.1
153.01799	6.4
153.05446	8.3
153.09081	2.3
153.12718	3.9
154.24904	1.5
157.06407	4.0
157.10080	3.5
159.08051	4.2
159.11642	4.0
161.05966	50.1
161.09561	9.4
161.13252	2.0
163.07510	12.9
163.11111	2.6
163.14778	2.2
165.05486	2.0
165.06995	4.2
165.09094	6.8
165.12802	10.4
166.13054	2.6
167.07027	89.1
167.09145	3.1
168.07323	2.7
171.11609	2.0
173.13298	1.9
174.06737	3.3
175.07532	31.8
175.11140	3.6
176.11633	2.4
176.72731	1.8
177.09108	7.9
179.07005	3.5
179.08463	2.7
181.04944	1.7
181.06416	1.9
181.08559	6.2
183.13783	3.1
187.07526	5.4
189.09093	24.5
189.12715	4.2
191.07011	3.8
191.08664	1.9
191.10635	2.6
193.06847	2.3
193.08609	6.1
193.12209	3.8
194.07249	3.4
195.08194	2.7
195.10149	16.9
196.08958	1.6
197.09673	2.2
197.11528	2.0
200.11554	2.6
201.09164	2.2
203.10762	1.7
205.06551	2.7
205.12233	2.4
206.07272	2.0
207.08206	3.1
207.10110	17.4
207.13736	2.7
209.15340	2.6
210.06700	2.1
211.07645	3.0
211.09645	6.2
211.13319	3.5
212.13637	1.8
213.09187	2.2
217.12170	5.1
218.12546	5.3
219.08078	4.3
219.10168	4.1
221.06021	4.1
221.09514	2.3
222.06779	2.9
223.07532	1.8
223.11392	2.1
223.13319	1.8
225.09137	4.0
229.14299	13.8
229.17943	1.8
232.65816	2.1
234.06784	3.4
235.07460	3.8
235.13321	8.8
236.13586	9.5
237.09026	6.2
239.06975	2.4
239.10764	2.0
247.07504	2.7
248.08249	2.9
249.09131	7.8
251.10759	3.1
252.07692	3.1
253.08572	8.0
253.14337	8.9
254.14749	10.2
255.06450	2.4
255.10107	1.7
255.16211	1.9
262.06192	2.1
263.10709	2.1
264.07794	3.5
265.08551	15.3
266.09280	2.3
267.10153	6.4
269.08063	4.1
270.08826	3.4
271.09674	1.9
277.08533	8.7
279.10132	3.5
281.08081	4.8
283.09653	5.0
285.11340	9.3
287.23538	2.4
293.07977	3.0
293.11615	2.6
295.09729	4.3
296.10272	2.9
297.11230	20.8
299.12793	4.5
305.11722	2.4
309.11172	7.9
311.12750	17.6
313.10645	6.5
315.12143	9.0
317.14041	3.8
323.12805	7.7
323.25702	2.7
327.12314	6.2
329.13901	5.5
337.13797	12.8
341.13632	3.8
341.26819	4.2
343.15283	2.6
349.14240	5.7
355.15228	27.4
367.15338	13.2
380.17773	3.5
398.18970	3.3
461.19357	3.1
479.20416	5.4
491.20352	3.2
508.21054	4.7
509.21420	7.6
539.21240	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	539.2116
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
51.02374	0.3
52.33739	0.3
53.03932	0.9
54.97902	0.3
55.01865	0.5
55.05490	0.6
57.03420	0.9
59.04977	1.0
65.06287	0.3
67.05486	1.4
69.03423	3.7
69.07055	0.9
69.72135	2.4
71.04964	1.1
79.01829	1.9
79.05469	1.0
81.03404	5.4
81.07034	2.3
83.04965	0.8
83.08583	0.6
85.02891	4.9
85.06524	0.4
91.05435	1.8
93.07014	2.3
95.04951	1.3
95.08591	1.4
95.42504	0.3
97.02871	4.2
97.06522	0.7
99.04446	1.1
99.08061	0.5
101.06033	0.4
103.05436	0.7
105.07020	3.0
107.01310	1.5
107.04929	0.7
107.08582	4.0
109.02866	5.0
109.06502	1.7
109.10136	3.8
111.08045	0.7
117.07034	0.4
119.04942	0.4
119.08578	2.6
121.02877	0.3
121.06520	0.8
121.10101	1.2
122.07267	0.6
123.08044	2.0
123.11687	0.8
125.02322	3.2
125.05922	0.3
127.03896	7.6
131.04889	1.1
131.08557	0.4
133.02846	0.4
133.06464	0.6
133.10133	1.1
135.08026	1.0
135.11720	1.6
137.05971	1.2
137.09605	11.7
139.11151	0.3
143.03363	3.9
143.08446	0.3
145.04907	1.1
145.10152	0.5
147.04416	0.5
147.08026	0.8
147.11670	1.1
149.05939	0.6
149.09634	0.6
151.03909	0.5
153.01804	100.0
153.09085	0.6
154.02138	1.3
161.05928	0.4
161.09605	2.8
161.13255	1.3
163.07503	0.6
163.11142	0.6
165.09090	1.1
167.06958	0.4
171.02869	12.1
177.05344	0.3
179.07039	0.7
189.09151	0.6
189.12700	0.9
191.14287	1.0
191.57262	0.3
192.14594	0.7
207.10149	1.5
207.13802	1.2
209.15318	0.5
225.11176	0.4
229.26830	0.4
279.05017	0.6
297.05942	5.9
305.24698	0.5
309.37830	0.4
315.07050	18.7
387.16241	0.4
425.53976	0.4
521.17432	0.4
539.17871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2114
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
53.03925	1.5
55.01853	1.9
55.05500	3.4
56.21513	0.5
57.03421	1.5
57.07074	1.2
59.04986	1.3
61.02905	0.6
63.16582	0.5
65.03938	0.6
67.05492	8.0
69.03421	7.3
69.04480	0.5
69.07050	9.8
69.28062	3.1
69.28490	2.9
69.91651	0.6
70.06583	0.6
71.04987	4.0
73.02919	1.0
79.01839	1.6
79.05476	5.6
81.03402	6.3
81.06567	1.1
81.07040	19.3
81.07512	1.1
83.04965	4.0
83.08585	2.0
85.02887	8.2
85.06522	4.3
87.09216	5.5
91.05458	5.1
93.07026	13.9
95.04958	4.4
95.08589	22.3
97.02872	6.3
97.06516	5.3
97.10119	1.5
99.04446	2.1
99.08061	3.7
103.05466	1.4
105.07013	9.5
107.01234	1.3
107.04922	2.3
107.08575	13.9
109.02845	5.4
109.06497	3.3
109.10137	15.5
111.04443	1.1
111.08056	2.2
111.11698	0.8
113.05952	1.7
113.09607	0.9
114.84815	0.6
115.05452	0.8
115.07538	0.6
116.47644	0.6
117.06983	2.0
119.04924	0.6
119.08555	9.8
121.06464	3.1
121.10131	9.7
123.08044	6.4
123.11687	5.0
125.02309	2.9
125.05997	1.2
125.09621	1.6
127.03896	9.0
127.07526	1.3
129.06958	1.5
131.04890	1.8
131.08563	3.7
133.04933	0.8
133.06473	1.2
133.10109	7.6
135.08032	2.1
135.11667	12.2
137.02281	1.0
137.05946	7.7
137.09581	3.9
137.13228	1.8
139.11186	3.3
139.25941	0.5
143.03387	3.8
143.08533	1.2
145.04924	2.3
145.06360	0.5
145.10115	4.1
147.04411	0.8
147.08047	1.4
147.11684	4.5
149.05945	1.3
149.09586	15.8
149.10730	1.1
149.13222	3.3
151.03889	2.0
151.07510	1.7
151.11176	1.7
151.14806	0.8
153.01801	100.0
153.09146	0.8
153.12715	9.7
154.02199	1.2
155.10664	1.9
156.09279	0.6
157.10103	2.3
159.07961	1.0
159.11710	3.8
161.04636	0.5
161.05975	1.9
161.09618	2.1
161.13213	5.6
163.07530	2.3
163.11153	2.4
163.14764	1.0
165.09088	1.9
165.12712	2.9
166.08620	0.8
167.07034	1.7
167.10634	1.4
171.02867	14.7
171.11713	1.6
171.13771	6.8
173.13246	2.2
174.10365	0.7
175.11113	0.8
175.14822	1.4
177.05405	0.9
177.12653	1.0
177.16330	1.4
179.07039	0.9
179.10675	0.6
179.14326	0.7
181.08582	1.5
181.12212	1.4
185.13206	0.6
185.15321	0.7
187.14748	1.7
189.09114	0.8
189.12706	7.0
189.16405	2.0
191.06917	0.9
191.14320	0.6
193.08594	1.6
193.15778	0.9
195.13759	1.2
199.14915	0.8
201.16415	1.3
203.17934	2.0
204.07816	0.8
205.15868	0.8
207.10339	1.2
207.13760	26.8
207.17404	1.1
208.14142	0.9
209.08057	0.8
209.15344	2.1
210.15698	0.8
211.16879	0.8
213.16362	3.4
219.10081	1.5
219.17365	0.7
225.11258	0.8
225.14857	1.4
225.18584	0.7
227.12653	0.9
227.16402	1.6
228.16679	2.0
231.17395	3.0
237.18425	1.3
249.18532	2.5
267.19571	3.8
269.22629	3.3
275.23727	0.7
279.05078	0.6
282.68527	0.6
285.11301	0.7
287.23624	4.9
289.08337	0.6
293.24615	0.9
297.05988	6.6
305.24677	7.0
315.07031	16.8
321.11124	0.6
323.25763	11.3
339.12225	0.7
340.13144	0.5
341.13742	1.3
341.26810	3.4
347.14777	1.3
359.15002	1.4
359.27841	2.1
377.28983	0.8
507.19165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.2
55.05505	0.5
62.35123	0.2
65.03926	1.6
67.05492	1.1
69.03416	0.3
69.07053	0.5
71.04983	0.3
79.05491	0.9
81.03422	1.0
81.07052	1.1
83.04974	0.4
83.08591	0.3
85.02892	0.2
91.05468	13.4
93.07034	0.8
95.04968	0.5
95.08592	0.8
97.06503	0.2
97.10141	0.4
99.04448	0.2
105.07028	0.8
107.08571	0.6
109.02867	0.7
109.06516	0.4
109.10153	0.5
111.08073	0.3
115.00893	0.2
117.06979	0.3
119.04926	27.9
119.08556	0.7
119.23567	0.2
120.05279	0.2
121.06477	0.3
121.10085	0.5
123.08068	0.2
127.03914	0.6
129.06969	0.2
131.08557	0.4
133.10120	0.4
135.08049	0.3
135.11711	0.2
137.05943	0.4
141.06931	0.3
143.08549	0.3
145.06557	0.2
145.10112	0.6
147.04388	100.0
148.04715	1.6
149.09569	0.3
151.42307	0.2
155.08466	0.2
157.10136	0.2
159.08075	0.2
159.11668	0.3
163.11165	0.4
167.07036	0.6
167.08432	0.2
169.05000	0.2
173.09496	0.2
173.13278	0.3
175.11165	0.3
193.12225	0.4
215.14265	0.3
292.96210	0.2
313.96710	0.2
344.75909	0.2
367.22510	0.3
377.44196	0.2
441.26233	0.6
452.02881	0.2
506.66977	0.2
521.32452	0.2
539.18695	0.3
539.26495	0.5
539.33179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.3
65.03924	1.5
67.05503	0.6
69.07085	0.2
71.04961	0.1
71.62515	0.2
74.62454	0.1
79.05485	0.5
80.49017	0.1
81.03398	0.4
81.07039	0.4
83.08576	0.2
91.05467	13.0
92.05802	0.2
93.07029	0.3
95.04948	0.4
95.08584	0.3
97.06512	0.1
97.10140	0.1
105.06999	0.4
107.04933	0.1
107.08555	0.3
109.02859	0.4
109.10120	0.2
111.08105	0.1
115.05467	0.1
117.07008	0.2
119.04925	27.1
120.05249	0.5
121.06503	0.2
121.10138	0.2
125.09621	0.2
127.03912	0.6
129.06981	0.2
131.08473	0.2
133.10101	0.2
135.08083	0.1
143.08563	0.1
145.10110	0.2
147.04387	100.0
148.04715	1.4
151.03827	0.2
157.10120	0.3
165.06979	0.1
167.08626	0.1
169.04878	0.5
169.10062	0.1
173.09532	0.2
178.71600	0.1
183.11629	0.2
197.12888	0.1
213.00963	0.1
217.56604	0.1
232.78090	0.1
287.96155	0.1
309.49179	0.1
521.32672	0.2
539.18561	0.8
539.34210	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.1
51.02386	0.1
52.55458	0.1
55.05492	0.1
63.02382	0.1
65.03924	1.4
67.05490	0.2
70.13110	0.2
70.13492	0.3
71.33205	0.1
79.05481	0.1
81.03415	0.2
81.07052	0.1
91.05468	12.4
92.05813	0.1
95.04977	0.1
95.58426	0.1
97.10148	0.1
98.20800	0.1
99.12617	0.1
100.42609	0.1
105.94392	0.1
107.08566	0.1
109.02866	0.4
119.04927	28.3
120.05260	0.3
127.03891	0.5
131.08627	0.1
145.10118	0.1
147.04388	100.0
148.04716	1.3
157.10187	0.1
157.14903	0.1
169.04968	0.3
211.07620	0.1
255.06485	0.1
277.61511	0.1
410.69495	0.1
438.44281	0.1
465.29678	0.1
539.15253	0.2
539.33502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52100	0.1
56.82658	0.1
65.03919	1.3
65.09418	0.1
69.57367	0.8
81.03398	0.1
91.05466	12.7
98.20724	0.1
109.02824	0.2
119.04924	25.4
120.05267	0.3
127.03912	0.5
135.77155	0.1
147.04387	100.0
148.04713	1.7
169.04919	0.3
297.33127	0.1
461.59885	0.1
472.61530	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	538.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01865	2.8
55.05505	10.6
56.26531	1.7
57.03421	4.3
57.07064	4.3
59.04985	3.7
65.03923	1.8
66.29467	1.5
67.05224	2.0
67.05499	24.4
67.34036	1.4
69.03421	11.9
69.06711	3.2
69.07059	40.2
69.64819	11.1
71.04982	18.2
73.02901	3.8
79.05490	23.6
81.03400	8.4
81.07045	98.6
81.77072	1.8
82.07371	3.3
83.04961	6.3
83.08621	8.2
85.02905	16.9
85.06534	16.8
87.04439	4.4
91.05457	25.1
92.05809	2.7
93.07034	68.4
94.07345	2.6
95.04956	36.5
95.08592	60.5
96.08923	1.9
97.02874	6.5
97.06508	9.7
97.10139	6.6
99.04409	4.1
99.08068	3.3
103.05510	2.4
105.07011	33.2
106.07349	2.4
107.04935	7.5
107.08582	38.2
109.02860	8.3
109.06478	13.5
109.10146	29.6
111.08051	14.8
113.06007	2.9
113.09534	2.1
115.03951	2.0
115.07543	2.4
117.06970	4.1
119.04905	4.1
119.08570	21.8
120.08104	2.1
120.08895	2.1
121.06478	6.9
121.10129	36.0
122.03685	1.9
123.04395	5.9
123.08048	7.2
123.11685	41.0
125.05921	3.4
125.09614	5.0
127.03930	13.0
127.04736	2.7
127.07523	12.0
127.11235	1.8
129.05460	1.9
129.06960	2.6
131.04924	6.1
131.07050	4.5
131.08539	6.8
133.02780	1.8
133.06454	4.2
133.10117	16.9
135.04375	2.0
135.08025	6.3
135.11674	18.5
136.08405	2.6
137.05954	25.0
137.09586	6.1
137.13263	13.2
138.06268	5.1
139.07536	3.8
139.11177	4.9
143.08551	5.2
145.08589	26.9
145.10062	12.1
147.04395	5.0
147.08015	3.7
147.11673	33.3
149.05940	5.3
149.09625	4.4
149.13255	10.2
151.03883	6.5
151.07536	8.8
151.11176	7.2
153.01833	17.9
153.12680	2.5
157.10097	3.9
159.11708	12.3
161.05971	6.2
161.09564	4.5
161.13237	7.8
163.06062	1.8
163.07564	2.6
163.11148	7.1
163.14792	6.8
165.09097	6.5
165.12685	11.0
166.08537	1.9
167.07014	100.0
167.10657	4.0
168.07370	4.1
171.11620	4.5
173.13264	6.2
175.07507	4.4
175.11147	2.3
175.14722	5.6
177.05406	2.6
177.09129	2.2
177.12700	4.4
177.16365	4.7
179.06885	2.5
179.10660	2.1
181.04933	3.6
181.08519	2.7
181.12169	2.1
183.13763	7.0
185.13260	1.9
187.07484	1.9
187.11232	2.1
187.14796	4.4
189.09102	6.1
189.12770	3.1
189.16396	3.4
190.09314	2.1
190.13036	1.8
191.07129	1.7
191.09114	4.3
191.10757	3.1
191.14349	1.9
191.17824	2.5
193.08624	4.2
201.16324	2.0
203.17900	2.7
205.08534	2.9
207.10123	3.6
207.13791	8.3
209.07974	2.0
209.15337	4.3
211.09612	5.9
211.16768	2.1
213.16325	3.7
219.10112	10.3
227.12758	2.4
229.14322	5.2
259.24155	3.6
269.22565	8.1
277.25299	9.7
285.11655	1.6
287.23648	37.2
292.06857	2.2
293.24771	7.7
305.24689	95.8
306.25131	2.4
311.25876	2.4
313.10678	2.1
323.25735	42.2
329.13675	5.1
341.26590	2.3
359.15036	1.9
506.18756	2.9
520.20093	3.8
538.21411	5.3
539.21021	2.7
539.28711	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	538.3577
Annotation	Irregularasulfate
Peak:m/z	Relative Intensity
55.01859	0.8
55.05500	5.0
56.05030	7.7
57.03431	1.3
57.07065	2.5
58.02957	5.5
58.06588	2.7
60.04518	35.9
61.02912	0.9
67.05489	2.6
68.05006	1.2
68.28885	0.6
69.03419	11.5
69.07063	6.7
69.65011	4.9
71.04973	0.6
71.08628	1.7
72.04512	0.7
74.06080	1.6
79.05482	1.8
81.07041	2.7
83.08616	6.4
83.11194	0.6
85.02910	2.0
85.41786	0.7
86.06054	18.8
91.05485	1.3
93.07037	2.2
95.08587	3.2
95.50173	0.6
97.06525	1.3
97.10152	3.8
98.20818	0.9
104.07088	88.4
105.06935	0.9
107.08578	2.4
109.06543	0.8
109.10163	2.3
111.08065	0.8
111.11700	1.5
114.62570	0.8
119.08560	2.2
121.10143	2.3
122.08124	25.4
123.08086	1.0
123.11720	0.8
133.10129	1.0
135.11726	1.7
147.04427	1.6
149.13322	1.1
159.11690	1.0
175.14816	1.1
181.10062	0.7
189.16496	0.6
221.15138	0.7
230.14267	0.6
237.07581	0.8
254.50284	0.7
272.25916	1.2
312.28571	0.9
340.28448	4.4
358.29465	100.0
359.29797	3.7
376.30521	94.0
377.30804	2.5
406.83948	0.6
463.75989	0.7
471.34665	2.3
482.88208	0.7
546.85211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.9
55.01847	7.9
55.05497	10.9
57.03424	5.7
57.15762	2.6
66.93832	2.8
67.05482	19.1
69.03422	16.2
69.07056	19.6
70.28540	2.5
71.04987	16.3
71.29495	5.1
73.02863	2.7
79.05469	23.7
81.03398	20.7
81.07035	55.9
82.07377	5.1
83.04972	24.9
83.08574	4.2
85.02876	14.1
85.06513	13.4
89.06029	3.8
89.37865	2.6
91.05476	24.4
93.07025	61.8
95.04950	17.7
95.08591	29.9
97.02855	8.7
97.06498	40.0
99.04436	24.3
99.08032	2.8
101.06024	2.9
103.05439	4.2
105.07005	52.8
107.04913	11.5
107.08575	40.2
109.02865	28.5
109.06496	27.1
109.10139	17.6
111.04395	8.2
111.08060	10.0
113.05963	5.6
113.09618	3.3
115.05437	3.5
117.05447	3.6
117.07008	7.4
118.54698	2.4
119.04895	3.5
119.08561	39.0
120.08916	3.5
121.05646	3.9
121.06489	58.3
121.10107	16.3
122.06796	3.1
123.04420	5.1
123.08041	12.3
123.11672	13.7
125.05955	17.7
127.03893	36.5
127.07500	16.5
129.06966	5.3
131.04851	6.2
131.07040	3.2
131.08525	14.0
133.06454	9.0
133.10106	18.8
135.08034	16.2
135.11630	5.8
137.05962	41.6
137.09596	5.5
137.13255	3.6
138.06250	5.0
139.07521	14.4
142.07748	4.6
143.07034	13.7
143.08505	11.1
145.06406	4.2
145.08621	5.5
145.10091	20.2
147.04417	3.3
147.08018	7.7
147.11667	70.8
148.12022	3.6
149.05962	4.5
149.13219	8.5
151.03838	3.1
151.07466	12.3
151.11139	5.4
153.01733	4.8
153.05479	3.9
153.09073	7.9
156.09412	3.8
157.08824	4.1
157.10083	22.2
159.08022	7.2
159.11629	6.2
161.05940	20.0
161.09581	7.8
161.13213	10.6
163.07445	6.4
163.11104	5.7
163.14766	3.6
165.12729	41.6
166.07608	3.0
167.07010	40.6
168.07472	3.9
169.08585	3.2
169.10031	3.4
171.11656	22.6
173.06000	3.3
173.09596	8.1
173.13255	6.6
175.07541	8.7
175.11156	29.7
177.09032	4.4
179.07050	4.4
181.08571	4.4
181.10104	4.1
183.13812	6.3
187.05959	4.3
187.07484	3.3
187.11130	4.6
189.09030	11.2
189.12689	28.9
190.24438	2.7
191.07059	2.9
191.10571	5.2
191.14276	3.4
193.08533	3.0
193.12213	32.1
195.10077	3.2
199.11127	24.2
205.08670	3.7
205.12245	4.3
207.10132	7.6
207.13768	22.0
209.11621	3.6
209.15300	8.3
211.07571	3.1
211.13300	11.4
215.10606	3.7
217.12228	68.1
223.13235	2.7
225.14825	7.1
227.12732	2.8
227.16422	7.8
229.14348	10.8
235.13246	86.9
236.13644	4.4
251.12737	4.7
253.14302	100.0
254.14670	3.1
271.15314	10.6
271.22989	3.2
277.08484	4.8
295.15356	7.9
297.11172	6.3
305.24530	3.4
311.12659	4.5
313.10797	3.0
319.31839	3.4
337.13913	4.9
341.13727	3.8
343.15292	6.8
343.39288	3.4
346.13531	2.9
355.15469	8.0
361.16162	16.0
379.17450	44.0
397.18384	24.8
415.19238	5.3
467.22653	3.2
469.25284	2.8
485.23361	5.0
517.58093	2.8
538.21527	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	538.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99717	1.5
52.28712	1.4
53.03938	4.9
54.80858	1.6
55.01863	4.3
55.05504	6.3
57.03414	4.5
65.03926	2.5
66.11131	1.5
67.05489	9.7
69.03419	13.9
69.07059	10.3
69.34012	15.7
71.04979	14.6
73.59824	1.8
79.05479	19.8
79.80495	1.5
81.03404	13.5
81.07046	32.9
83.04960	14.1
83.08609	2.2
85.02898	14.6
85.06535	5.7
88.95335	1.5
89.06022	3.9
91.05462	15.1
93.07032	50.2
94.07347	1.7
95.04945	9.7
95.08597	16.5
97.02883	14.5
97.06513	25.0
98.06884	1.8
99.04436	16.8
99.08050	2.6
101.06040	2.4
101.79591	1.9
103.05440	4.8
105.07014	32.3
107.04955	9.1
107.07076	2.9
107.08581	28.5
108.08934	2.4
109.02876	16.2
109.06496	24.0
109.10106	8.1
111.04472	4.4
111.08075	5.5
113.05960	3.7
115.03887	2.5
115.05480	1.5
117.05471	3.1
117.07000	3.8
119.04928	4.4
119.08559	23.1
120.08913	1.7
121.06488	50.2
121.10123	9.6
122.03608	2.5
122.06811	1.7
123.04443	3.6
123.08071	6.8
123.11691	5.4
125.05991	6.1
125.09638	2.9
127.03897	16.6
127.07554	12.1
128.06265	2.1
129.06970	5.9
131.04938	3.0
131.07080	3.3
131.08554	7.0
133.06485	5.1
133.10107	16.7
135.04398	11.3
135.08035	14.3
135.11653	3.7
136.04765	2.4
137.05963	38.0
137.09615	3.9
138.06305	3.9
139.07513	11.7
142.07758	3.8
143.06967	3.2
143.08533	7.9
145.04976	4.5
145.06480	4.3
145.08511	9.1
145.10091	11.7
147.04413	5.0
147.08040	5.6
147.11674	40.1
149.05899	2.2
149.09573	2.5
149.13255	4.5
151.03891	4.0
151.07532	9.8
153.01799	3.3
153.05386	2.2
153.12645	2.1
155.08530	3.0
156.09335	3.0
157.10098	16.0
159.08073	2.9
159.11682	3.5
161.05939	12.5
161.09563	4.6
161.13260	9.5
163.07533	8.2
163.11160	5.6
163.14912	1.8
165.09103	3.2
165.12738	13.0
167.05809	1.6
167.07016	10.2
168.07472	1.9
169.05072	2.1
171.11673	18.9
173.09602	5.6
173.13290	2.6
174.06683	2.0
175.07492	9.1
175.11177	21.3
179.06964	2.7
181.04912	2.9
181.10281	1.7
187.06004	6.5
187.07552	3.7
187.11066	3.1
189.09088	5.4
189.12744	20.3
191.07147	2.3
191.09061	2.8
191.14281	3.5
193.12207	14.6
195.10190	3.2
197.09616	2.3
199.11154	19.5
201.09061	3.3
203.07033	2.3
205.07025	4.2
205.12227	2.3
207.10123	2.1
207.13736	15.8
209.15379	8.0
211.13283	9.2
215.10683	3.0
217.12207	50.3
218.12637	2.4
219.10158	2.7
224.08214	2.4
225.08952	2.5
227.16393	5.7
229.14236	4.3
235.13263	84.6
236.13611	3.5
238.50885	1.5
251.12837	2.3
253.14323	100.0
265.08493	2.8
269.08038	2.3
271.15353	7.1
275.11093	7.7
279.09967	1.9
285.11240	2.1
289.12103	1.7
291.10245	2.2
293.12177	2.7
297.11374	2.3
311.12723	2.9
322.24481	3.1
335.12967	2.0
341.13699	3.8
343.15329	2.5
355.15189	4.4
361.16412	9.9
379.17480	14.5
397.18588	12.6
415.19525	5.4
485.23669	2.0
509.21518	2.1
538.20520	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	538.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.01866	2.4
55.05499	10.2
57.03424	5.0
57.07068	0.8
59.04979	1.0
61.02901	1.4
67.05504	2.2
69.03416	5.6
69.07044	1.8
69.61893	1.0
69.62301	2.5
71.04976	2.8
73.02898	5.5
74.06059	0.5
79.05463	1.9
81.03397	2.5
81.07040	3.9
83.04967	9.9
83.08600	7.9
85.02888	11.3
85.06518	1.1
87.04444	1.0
91.05441	1.6
91.49667	0.4
93.07026	3.5
95.04949	39.0
95.08586	2.8
96.05275	0.6
97.02864	5.7
97.06503	2.8
97.10126	1.8
98.21458	0.9
99.03825	0.8
99.04436	10.4
99.08058	1.0
103.03900	0.5
104.47289	0.4
105.06992	1.8
107.04984	0.5
107.08569	6.9
109.02853	1.8
109.06519	2.4
109.10140	6.7
111.04430	0.5
111.08054	3.1
115.03884	3.6
117.06989	0.6
119.08539	1.5
121.06451	2.0
121.10124	3.3
123.04385	0.5
123.08031	1.3
123.11658	2.8
125.06006	1.0
125.09608	3.5
127.03871	3.4
127.07588	0.6
131.08548	1.3
133.04942	3.9
133.10097	5.7
135.08008	1.4
135.11694	0.8
137.05988	2.3
137.09573	0.7
139.07498	0.5
139.11143	1.2
145.04933	2.6
145.10066	0.5
147.11647	2.8
149.06030	0.7
149.13258	2.1
151.03876	1.4
151.11157	11.5
153.01799	1.1
153.09065	14.0
157.10101	0.8
161.13225	1.2
163.05960	2.1
165.12700	0.5
167.07043	0.5
167.14282	15.6
169.12195	0.5
171.10231	0.5
171.11629	0.8
173.13225	3.2
175.11115	1.2
175.14745	0.8
179.14314	3.8
181.12149	1.2
184.09816	0.4
189.12657	0.7
191.14262	3.9
193.12149	0.8
193.15869	1.0
199.11304	0.5
207.13799	0.9
209.15324	100.0
210.15675	1.9
211.13193	0.6
217.12149	2.0
227.16400	5.4
233.15222	0.5
235.13306	2.5
241.07060	0.8
249.41406	0.5
251.16478	0.5
253.14342	2.6
259.08008	1.0
295.10196	0.7
295.95123	0.4
341.19507	1.2
371.20425	2.3
397.18619	1.0
415.19705	0.5
468.62827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.01868	2.7
55.05504	13.8
57.03430	4.1
59.04982	1.2
61.02905	1.7
67.05501	2.2
69.03065	0.5
69.03419	7.9
69.07057	1.9
69.40227	2.4
69.40631	1.1
70.06578	0.5
71.01344	1.0
71.04963	1.2
73.02909	5.4
79.05465	1.7
81.03393	1.5
81.07045	4.8
81.10911	0.4
83.04971	14.8
83.08605	11.9
83.09100	0.7
85.02893	15.1
85.06517	1.4
85.07629	0.5
87.04441	1.3
91.03942	0.6
91.05463	1.4
93.06516	0.5
93.07047	4.0
95.04939	3.3
95.08601	3.4
96.08104	0.5
97.02883	8.0
97.06515	2.7
97.10160	1.9
98.21574	0.5
99.04409	1.1
99.08079	1.3
103.03899	0.8
105.07005	2.7
107.08577	6.9
108.08097	0.5
109.02873	1.8
109.06516	2.4
109.09444	0.6
109.10140	8.0
110.09650	1.6
111.04434	0.4
111.08038	3.1
113.09619	0.8
113.65259	0.4
113.66185	0.4
115.03916	3.6
115.07540	0.5
119.08563	1.3
120.04442	0.4
120.08066	1.2
121.10125	3.1
123.08044	2.1
123.11704	3.1
125.09618	4.6
127.03915	4.0
131.04872	0.5
131.08553	1.4
132.06592	0.7
133.04950	4.9
133.10107	5.3
135.08029	2.6
135.11696	0.9
136.07571	0.7
137.05966	0.8
137.09630	0.6
138.06438	0.4
138.09123	2.7
139.11162	1.0
144.04350	0.4
145.04942	4.6
145.08595	0.9
145.10094	1.1
147.11662	1.9
148.07516	0.4
149.09604	1.6
149.13242	3.2
150.07585	0.9
151.11168	18.6
153.01808	7.6
153.09041	1.4
153.12634	0.5
156.73846	0.4
158.10823	0.4
161.13315	0.5
163.05975	3.0
163.11177	0.6
163.14757	0.5
166.08569	3.8
167.07104	0.5
167.08923	0.4
167.14297	24.0
169.12122	0.7
171.02893	1.1
172.03862	1.0
173.13208	2.4
175.14784	0.6
181.04886	0.5
181.12161	1.5
185.00787	0.4
189.12715	0.5
190.04881	0.5
191.14261	3.6
193.08640	0.5
204.06520	0.5
207.13792	1.6
209.15337	100.0
210.15651	1.3
211.24368	0.4
221.11713	0.6
223.05984	0.9
227.16414	3.6
237.10223	0.7
241.06923	0.5
251.11760	0.7
259.08173	1.9
279.11279	0.4
293.09137	0.8
295.10144	0.9
297.12259	0.4
315.07114	1.4
318.54642	0.4
325.11707	0.7
340.18970	0.5
341.11224	1.8
341.19702	1.3
353.11438	1.0
358.20245	1.1
369.09872	0.4
371.20505	0.5
450.01031	0.4
453.34503	0.7
454.34531	1.2
465.19183	0.5
475.31354	1.4
488.17728	0.7
506.19229	3.4
538.30481	1.3
554.22949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
54.42505	1.4
55.01855	3.8
55.05499	19.8
57.03425	11.7
57.06778	2.2
57.07063	43.1
65.03925	3.5
67.05494	56.6
67.72824	1.3
69.07053	15.0
71.04964	2.9
71.08276	2.7
71.08621	28.9
71.13110	4.5
79.05478	62.6
81.03409	7.8
81.07043	44.8
83.04964	13.0
83.08597	16.2
85.02909	1.8
85.06521	3.4
85.10172	12.7
91.04884	2.4
91.05466	52.9
93.07026	65.2
95.04968	16.0
95.08038	3.0
95.08589	35.6
97.06520	2.8
97.10139	7.0
99.08089	1.5
105.07016	31.5
107.04942	5.3
107.08570	14.5
109.06477	6.1
109.10139	12.8
115.05387	2.5
117.06989	6.1
119.08578	20.6
121.10080	3.5
123.08044	4.1
123.11708	3.5
128.06184	1.9
129.07018	14.0
131.08534	2.6
133.10104	10.2
135.11665	2.0
143.08601	8.2
145.10085	8.2
147.08057	3.3
147.11662	31.1
159.11665	1.9
161.09552	3.6
161.13225	9.1
171.11652	26.4
179.14259	1.7
189.12755	9.8
207.13797	29.5
234.62395	1.7
239.23668	2.8
257.24704	1.7
281.17432	53.1
313.27319	68.1
387.75037	1.9
399.37259	1.7
519.40375	100.0
520.40204	2.2
537.41266	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	538.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01850	0.8
55.05492	0.7
57.03418	1.2
61.02900	1.1
67.05479	1.2
67.38374	0.5
69.03411	3.7
69.07039	1.1
70.28973	0.4
71.04972	1.7
71.36025	0.6
73.02886	0.6
79.05469	1.8
81.03400	2.8
81.07039	3.7
82.07382	0.5
83.04961	1.3
83.08644	0.6
85.02408	0.9
85.02887	10.2
85.06510	0.5
87.04455	0.7
91.03976	0.6
91.05467	1.5
93.07025	3.3
94.04162	1.4
94.07349	0.5
95.04967	1.2
95.08587	2.2
97.02885	4.1
97.06501	1.4
99.04429	2.5
103.05441	3.6
105.07021	3.4
106.07389	0.8
107.04927	1.6
107.08574	3.5
108.08907	0.5
109.02860	3.4
109.06484	2.5
109.10113	1.0
110.03171	0.8
111.08072	1.1
117.07030	0.6
119.04893	0.6
119.08542	2.0
120.08909	0.7
121.06499	4.1
121.10130	1.6
122.03628	4.7
122.06826	1.0
122.80997	0.5
123.11702	0.9
125.05962	1.5
127.03912	4.6
127.07565	1.3
131.04906	13.5
133.06471	0.6
133.10089	1.1
135.04372	1.1
135.08043	1.4
137.05956	100.0
138.06303	1.1
139.07489	0.8
139.11110	0.5
143.04921	0.7
143.07016	0.9
143.08456	0.5
145.04926	1.7
145.06453	1.6
145.08514	0.6
145.10097	1.3
146.58171	0.6
147.04424	1.1
147.11650	3.4
148.11974	1.4
149.05984	2.0
151.03893	2.3
151.07565	1.4
157.06450	0.9
157.10049	0.7
160.05185	0.6
161.05945	1.1
163.07509	6.9
163.11186	1.7
165.05484	2.1
165.12753	1.8
166.13092	0.6
167.06981	1.3
169.12289	0.5
171.11687	1.0
173.13213	0.7
175.07570	4.0
175.11159	2.3
176.11497	0.9
177.05447	1.9
179.07037	1.5
180.08656	1.1
187.05936	0.8
187.07475	1.6
189.09087	2.1
189.12715	1.5
190.13123	1.0
191.07007	1.4
191.10625	1.1
193.12225	1.3
194.12509	0.7
194.61572	0.5
199.11069	0.8
200.11505	1.1
203.08534	1.4
205.08582	2.2
207.13680	0.7
209.11708	0.7
211.13258	1.3
217.08537	0.7
217.12259	2.6
218.12534	2.2
223.09630	2.0
227.12747	2.1
227.16338	0.5
229.14360	0.8
231.08026	2.4
232.08781	0.8
233.09521	0.5
235.09579	1.4
235.13182	4.3
236.13562	2.9
248.08278	1.4
249.09203	0.8
253.14337	4.7
254.14610	4.6
259.07587	1.8
260.08325	0.8
263.10632	5.1
265.08731	0.6
272.15656	0.7
276.07602	0.9
281.11533	0.6
290.09570	0.8
291.10123	7.9
295.13257	0.6
305.11618	3.2
309.11151	0.8
323.12701	6.9
341.13782	30.8
342.14087	0.9
353.15906	0.5
359.14859	26.4
360.15283	1.2
379.17453	0.6
380.17795	0.7
397.18567	0.6
398.18985	1.3
424.39804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01859	1.8
55.05256	0.9
55.05505	12.7
55.05762	0.5
57.03429	5.6
57.07070	32.0
59.04983	0.8
65.03941	1.1
67.05495	20.3
69.03418	1.9
69.07060	9.2
71.04987	3.5
71.08624	21.5
73.40790	0.6
79.05477	12.4
81.03408	32.5
81.06567	1.3
81.07047	25.9
83.04968	6.3
83.08604	17.9
85.02892	16.2
85.06502	1.4
85.10171	12.7
85.10656	1.1
91.05463	13.9
93.07040	8.5
95.04951	13.0
95.08595	20.9
97.02868	1.1
97.06528	2.2
97.10165	9.4
98.20704	1.4
99.08076	0.9
104.26757	0.6
105.07012	11.5
107.04959	2.3
107.08594	5.1
107.19089	0.6
107.71377	0.6
109.06504	1.7
109.10145	9.7
111.04431	2.0
111.08073	5.0
111.11689	1.8
113.06020	1.6
115.05447	0.7
117.06999	1.4
119.08557	9.4
121.06519	0.8
121.10121	5.5
123.11687	3.4
125.09617	0.8
129.07002	4.5
131.08571	6.1
133.06516	0.8
133.10107	3.8
135.11708	1.0
137.09555	0.8
137.13235	1.5
142.07761	1.4
145.10133	1.4
147.08040	0.7
147.11690	6.3
149.09589	3.4
157.10118	6.5
165.12729	1.0
175.11172	7.6
193.12224	23.1
202.75854	0.7
211.13264	31.3
253.25253	4.5
257.73080	0.7
261.76660	0.7
267.15875	7.4
267.18130	0.7
272.01306	0.6
321.41977	0.8
327.28879	6.3
344.87347	0.6
519.40796	3.5
537.41504	100.0
538.42047	2.0
548.79602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57007	1.8
51.60581	1.9
51.74504	1.8
53.03938	4.1
55.01856	3.2
55.05499	6.1
57.03414	3.1
59.74872	1.7
67.05503	11.9
69.03411	15.0
69.07056	19.0
69.60659	14.2
71.04974	8.8
79.05498	14.0
81.03405	19.9
81.07039	36.9
83.04969	16.5
83.08558	2.8
85.02890	15.2
85.06530	5.6
85.81757	1.6
87.08086	2.6
91.05476	11.5
91.06357	1.8
93.07033	43.9
94.04176	2.5
95.04941	9.4
95.08592	18.5
97.02871	12.1
97.06503	24.8
99.04449	15.1
103.05508	2.7
105.07012	30.2
107.04926	8.0
107.08578	25.9
109.02864	30.3
109.06505	27.0
109.10146	10.3
111.04447	3.2
111.08054	14.3
113.05948	2.2
115.05505	2.2
117.07027	5.1
119.08564	12.2
121.06483	46.6
121.10110	9.3
122.06779	1.9
123.04383	4.0
123.08064	8.1
123.11691	7.7
125.05940	13.4
127.03901	34.2
127.07512	10.8
129.06961	4.6
131.04890	9.0
131.08571	6.2
133.06465	5.1
133.10138	13.3
135.04390	4.6
135.08049	13.7
135.11682	1.7
137.05957	73.0
139.07504	13.6
141.05424	2.0
141.07036	1.9
142.07748	2.8
143.07016	13.1
143.08505	6.0
145.04918	3.8
145.06468	2.2
145.10065	10.6
147.04506	2.9
147.08089	5.0
147.11674	45.7
149.05951	4.0
149.13272	4.5
151.03879	3.8
151.07509	4.7
151.11209	4.0
153.01820	2.6
153.09135	2.6
156.09341	2.6
157.08611	5.9
157.10110	14.2
159.06557	2.3
159.08000	2.6
159.11681	3.0
161.06013	5.3
161.09647	3.7
161.13191	9.0
163.07520	7.6
163.11148	2.5
165.05447	2.1
165.09090	2.7
165.12735	18.9
167.07053	8.1
167.10771	2.2
169.12241	8.8
171.10265	3.3
171.11665	12.6
173.09573	3.2
175.07538	5.4
175.11151	27.0
177.08977	2.3
178.07700	2.4
181.08636	3.6
187.05983	11.4
187.07469	2.8
187.11067	2.8
189.09134	3.7
189.12701	19.9
191.06953	3.6
191.14285	4.1
193.08612	2.2
193.12234	27.8
199.11130	22.7
205.06993	5.5
207.13774	14.4
211.13306	19.0
214.79208	2.0
217.08861	3.0
217.12193	60.2
229.14342	6.9
235.13246	85.5
237.11415	2.1
240.18658	2.2
253.14322	100.0
257.13931	2.3
267.10049	2.5
271.15363	15.8
289.16437	2.4
291.10303	2.1
295.15512	3.4
303.23096	2.2
313.16507	5.4
320.37384	2.2
325.14337	3.0
341.13782	16.6
343.15265	4.2
359.14859	10.5
361.16431	9.1
379.17480	15.3
397.18549	22.0
415.19766	10.4
433.20435	2.9
537.21069	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	537.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52603	2.0
53.03938	5.2
55.01863	7.7
55.05492	9.8
57.03434	3.6
61.02915	3.3
65.03930	4.6
67.05501	12.9
69.03410	21.2
69.07059	20.1
69.27003	1.9
71.04982	11.2
79.05477	25.1
81.03402	23.7
81.07043	44.8
83.04983	15.7
83.08604	5.7
85.02885	17.7
85.06532	7.9
91.05465	24.5
93.07029	52.3
95.04961	18.8
95.08595	26.8
97.02879	12.4
97.06525	23.4
98.21645	4.5
99.04446	15.8
101.06005	2.9
103.05450	7.7
105.06374	3.6
105.07016	45.1
107.04951	13.7
107.08578	37.8
109.02863	28.5
109.06483	25.6
109.10151	15.3
111.04430	8.3
111.08077	12.8
113.06012	4.9
115.05430	3.8
115.07613	2.2
117.06998	5.6
119.04933	6.1
119.08565	23.8
120.08900	2.3
121.02868	2.4
121.06487	53.6
121.10134	16.3
122.03613	4.9
123.04369	3.6
123.08051	8.4
123.11665	7.3
125.05989	12.2
125.09669	2.2
127.03909	25.9
127.07563	11.0
128.06252	3.7
129.06995	6.6
131.04903	15.2
131.08519	6.6
133.02815	2.3
133.06462	9.7
133.10103	19.0
135.04355	6.4
135.08038	19.7
135.11714	6.2
137.05957	70.7
137.09612	5.8
139.07541	15.8
141.05363	2.8
141.07051	3.0
142.07727	3.9
143.06996	9.5
143.08551	7.7
145.04883	3.3
145.06485	9.3
145.10152	12.2
147.04405	10.7
147.08015	6.4
147.11656	52.2
149.05956	8.3
149.09550	5.3
149.13228	7.2
151.03891	6.6
151.07500	16.4
151.11195	4.1
153.05478	8.1
153.09065	3.0
155.08496	5.4
156.09412	2.8
157.06506	4.4
157.08685	4.5
157.10103	17.2
159.08098	2.6
159.11722	3.6
160.05157	2.9
161.05923	14.7
161.09483	4.2
161.13251	12.1
163.07529	17.1
163.11150	9.5
165.05518	2.8
165.09105	3.8
165.12735	19.3
167.07027	45.0
169.12263	7.2
171.11644	20.9
173.09558	6.2
173.13284	3.4
175.07587	11.4
175.11119	29.5
175.14876	3.2
177.05458	6.7
177.09166	2.3
179.06955	5.6
181.06499	2.4
181.08571	9.8
181.10059	4.0
181.12213	2.9
183.08081	2.5
187.05991	9.1
187.07500	3.9
187.11137	3.7
189.05386	2.4
189.09120	3.5
189.12704	21.9
191.06958	3.9
191.10634	3.3
191.14395	3.2
193.08609	4.8
193.12202	25.8
195.10115	5.2
197.05882	2.3
199.11142	25.0
205.06888	4.8
205.08658	3.4
207.08139	2.3
207.13777	17.7
209.15305	4.6
211.07520	4.1
211.13239	16.5
213.11179	14.9
217.08710	4.4
217.12196	65.6
219.10139	3.1
227.10791	2.5
229.08409	2.6
229.14348	7.5
233.08102	3.3
233.11609	2.7
234.85107	2.4
235.13248	98.5
237.11255	3.5
239.07010	7.8
242.83012	2.6
243.14055	14.5
249.09079	2.8
251.12875	3.4
253.14326	100.0
255.06358	2.5
263.07053	2.7
263.10797	2.4
267.06528	3.3
267.10144	3.0
269.07794	2.8
271.15381	9.1
277.08588	3.4
283.09485	3.8
285.11169	2.2
291.10410	5.2
295.09677	4.6
297.11249	4.1
297.14728	3.0
303.23254	3.0
309.11334	4.3
313.10782	13.1
313.16467	3.3
321.24304	5.5
325.10669	3.0
327.12219	7.2
339.25433	4.5
341.13803	11.1
345.13330	34.4
357.13229	3.4
359.15067	10.4
361.16516	7.4
379.17426	15.8
397.18359	14.7
415.19485	4.0
478.75296	2.5
489.19189	3.0
509.21869	3.0
519.19916	6.3
537.21155	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	536.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28854	0.1
54.64496	0.1
55.05485	0.2
56.05021	0.6
56.16879	0.1
56.48746	0.1
57.03437	0.2
58.06617	0.4
59.07395	0.2
59.45820	0.1
60.08154	6.2
67.05493	1.0
69.07052	0.2
69.96672	0.7
71.04959	0.2
71.07361	2.5
79.05472	0.5
81.07028	0.8
83.08558	0.1
85.02859	0.2
86.09691	28.7
88.24497	0.2
91.05431	0.2
92.05739	0.2
93.07037	0.6
95.04979	0.2
95.08584	0.6
98.20792	0.2
98.98447	2.5
104.10722	2.7
105.07007	0.3
107.08588	0.4
109.06480	0.2
109.10148	0.3
119.08543	0.3
121.10134	0.3
124.99982	19.6
131.08501	0.2
133.10126	0.4
135.11623	0.2
143.01004	0.3
147.11670	0.2
149.13266	0.2
167.05522	0.2
173.13234	0.2
184.07309	100.0
185.07567	0.4
232.25998	0.2
238.73914	0.2
258.11008	0.2
299.06070	0.6
307.54004	0.2
310.20093	0.2
370.87167	0.2
500.31055	0.8
501.32111	0.2
518.32373	8.6
519.32330	0.3
536.30719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66319	3.0
55.05491	7.6
67.05482	14.0
69.07059	4.6
71.04985	6.9
71.62972	5.2
79.05466	8.0
81.07034	12.4
88.13876	3.1
93.07016	9.6
95.08577	12.8
105.07012	8.3
107.08582	29.9
109.10152	18.5
113.09858	3.1
119.08598	16.2
121.10112	13.2
123.08049	7.6
123.11691	7.2
127.11174	11.0
130.22311	3.5
133.10104	13.0
135.11630	9.7
137.13211	5.2
145.10075	7.2
147.11679	7.5
149.13234	7.6
159.11674	11.2
161.13235	31.3
163.14771	4.9
167.05537	5.6
175.14833	5.4
179.14304	100.0
189.16362	5.0
193.15874	9.2
201.16290	4.3
203.17955	6.6
217.19334	4.2
235.20473	5.0
262.05139	3.4
263.19910	4.0
294.98819	3.8
299.06204	6.7
299.56366	4.2
455.35043	14.6
473.36279	97.6
491.37238	8.2
536.32831	4.7
536.42841	26.7
537.50568	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	536.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	7.2
55.05495	10.9
57.03438	6.3
66.97104	4.2
67.05502	19.7
69.03417	24.9
69.07051	28.1
69.42506	11.4
69.42922	26.7
71.04964	18.8
73.02876	7.3
79.05487	30.0
81.03408	27.9
81.07037	55.3
83.04966	36.5
83.08608	6.8
85.02894	25.9
85.06549	20.8
91.05435	26.1
92.78399	4.5
93.07034	48.9
95.04952	30.4
95.08591	21.6
97.02885	23.8
97.06516	47.3
99.04441	28.7
100.23385	4.2
102.72519	4.4
103.05473	7.6
105.07015	74.9
107.04935	17.1
107.08588	48.3
108.08834	5.1
109.02859	15.8
109.06492	37.9
109.10132	8.8
111.04410	8.5
113.05972	8.5
115.05412	5.0
117.06998	13.0
118.07330	4.0
119.08557	42.6
120.08896	8.9
121.06465	33.2
121.10135	44.5
123.04438	8.0
123.08025	9.5
123.11674	10.6
125.05963	36.0
127.03887	18.5
127.07545	19.6
128.06190	5.7
129.06966	8.5
130.07793	5.8
131.04930	11.9
131.08562	29.2
133.06464	10.3
133.10104	27.0
135.04413	10.7
135.08028	12.3
135.11665	20.8
137.05963	57.4
137.09547	7.1
138.06262	4.7
139.07526	8.2
143.07025	29.4
143.08543	16.4
145.04892	6.0
145.06436	9.8
145.10094	100.0
146.10472	9.8
147.07994	9.2
147.11661	18.5
148.11983	4.3
149.05978	5.6
149.09576	11.7
149.13248	6.5
151.03897	9.2
151.07510	19.4
152.33456	4.6
153.01828	6.4
153.05470	9.6
155.07050	7.6
155.08430	4.0
157.10077	10.5
159.08012	12.3
159.11655	42.3
160.11993	7.6
161.05960	12.2
161.09521	15.5
161.13185	6.7
162.13693	5.2
163.07489	10.9
163.11136	51.0
163.14705	4.8
165.12778	5.0
167.07008	21.5
167.08295	4.6
168.07448	4.5
169.10045	14.5
171.11702	7.0
172.08882	4.5
172.12108	4.1
173.09592	44.0
173.13220	13.9
174.13654	6.5
175.07520	8.6
175.11205	5.1
175.14810	8.4
177.05481	5.1
177.09084	5.3
177.12737	7.4
179.06932	5.1
181.12230	12.6
185.13214	5.8
187.07524	7.5
187.11147	69.0
187.14790	17.2
188.11572	4.5
188.15135	11.2
189.09044	7.6
189.12732	19.5
189.16322	5.9
190.13020	4.4
190.16800	5.4
191.10645	43.5
191.14241	5.5
197.09595	6.6
197.13315	6.5
201.16306	9.7
202.16679	6.4
203.10596	7.9
203.17799	4.3
205.08598	4.8
205.10397	5.5
205.12224	61.5
207.13786	14.0
209.11644	16.8
215.10663	45.4
223.13246	4.8
225.14842	6.1
231.10097	5.6
233.11639	58.5
247.16948	5.5
251.12759	79.8
252.13199	5.5
259.08463	4.1
269.13809	24.0
289.14310	5.1
299.06097	5.6
309.11026	7.0
313.10590	8.3
317.13867	6.5
325.16348	8.4
341.13809	10.7
345.13358	12.2
347.15060	4.0
357.13126	8.3
359.14807	20.0
360.15503	6.1
371.24924	5.0
372.15457	20.7
377.15909	68.5
395.16962	71.9
413.18015	91.7
414.18527	5.8
424.29172	4.9
425.60016	4.8
436.29141	4.9
452.28528	5.8
454.30112	16.9
456.31757	6.6
472.31381	14.1
483.22058	5.6
495.05673	4.7
500.30652	7.5
536.20483	13.6
537.21326	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	536.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	9.0
55.01855	8.2
55.05496	10.8
57.03415	8.0
61.02919	2.8
67.05500	16.4
69.03073	2.8
69.03420	30.0
69.07057	20.9
69.89916	14.3
71.04991	21.4
73.02898	4.4
76.63006	2.4
79.05475	26.2
81.03394	22.7
81.07045	30.2
83.04962	20.9
83.08603	4.3
85.02895	27.2
85.06516	8.9
89.06023	3.0
91.05457	32.5
93.07029	46.2
95.04942	20.9
95.08583	22.0
97.02861	20.3
97.06519	33.7
99.04446	24.9
103.05417	6.0
105.07014	60.6
107.04951	27.8
107.08572	40.6
109.02869	23.6
109.06498	19.4
109.10158	9.3
111.04426	6.9
115.05454	4.1
115.07532	4.0
117.05501	3.0
117.06989	16.4
119.04910	9.4
119.08568	28.5
121.06483	31.8
121.10114	18.6
123.04471	5.2
123.08035	5.0
123.11685	5.1
125.05970	22.2
125.09574	3.7
127.03900	23.7
127.07525	3.8
128.06168	4.0
129.05522	3.3
129.06978	16.6
130.07713	3.3
131.04935	7.0
131.08546	21.8
133.06482	13.3
133.10110	11.6
135.04410	6.8
135.08029	12.7
135.11688	18.7
136.08304	2.8
137.05957	42.0
137.09567	4.2
139.07527	6.2
141.06970	4.1
143.07028	12.7
143.08522	12.3
144.09322	3.3
145.04922	4.4
145.06462	13.3
145.08807	5.2
145.10098	74.7
146.07262	3.2
147.04393	18.1
147.08038	9.8
147.11674	14.4
148.04756	4.4
149.05968	8.7
149.09593	9.3
149.13161	3.2
151.03917	4.7
151.07520	13.6
153.05457	4.2
154.07729	3.4
155.07097	3.3
155.08530	6.9
157.06456	13.5
157.10063	7.8
158.07248	9.9
159.08035	10.4
159.11668	32.9
160.05095	3.0
161.05919	10.9
161.09613	10.1
163.07526	20.0
163.11151	100.0
164.11494	3.3
165.12741	2.6
167.07018	27.6
167.10555	3.6
169.10132	14.3
171.08046	5.4
171.11691	4.0
172.08737	4.7
173.09592	49.9
174.06760	12.4
175.07506	25.3
175.11163	7.4
177.05464	4.5
177.09079	3.5
179.07001	5.0
179.08421	3.8
181.08577	11.3
181.12173	15.3
185.09590	3.2
187.06026	3.3
187.07535	6.6
187.11156	44.2
189.09096	23.8
189.12712	7.1
189.16400	5.9
191.07005	5.3
191.10638	37.4
193.08632	4.6
193.10257	2.7
193.12222	3.2
195.10091	6.0
197.08018	3.3
197.09619	9.6
199.07530	3.6
199.11121	5.1
203.06847	2.9
203.10606	5.2
205.08548	5.0
205.12186	22.5
207.10110	3.5
207.13721	7.6
209.11620	4.4
211.07518	3.7
213.09349	3.8
213.11108	13.4
215.10634	42.2
217.08531	3.3
217.12292	5.3
221.11693	4.9
223.13333	4.3
225.14777	3.8
227.12750	6.6
231.10019	3.2
233.08070	61.8
233.11673	70.1
235.13264	6.1
251.10419	3.4
251.12775	40.8
253.14354	6.7
269.13824	7.1
279.12198	2.9
281.11554	2.6
289.14246	4.0
293.13983	2.9
293.31537	2.5
294.20578	2.7
299.06076	3.7
307.15311	4.5
313.10806	2.7
323.12598	2.8
325.16367	6.2
327.49805	2.7
331.15189	4.9
341.13712	6.0
345.13333	6.3
349.16348	2.9
359.14822	13.9
377.15775	23.9
377.19510	3.1
395.16971	61.2
413.17859	8.0
432.45471	2.7
447.20224	3.4
465.21112	18.1
483.22366	14.2
486.32407	2.8
519.20428	2.7
536.19635	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	536.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	3.2
55.05490	1.5
57.03413	3.6
57.07076	0.9
67.05479	2.7
69.03411	5.3
69.07042	0.7
69.71136	5.6
70.06594	1.1
71.01309	1.2
71.04972	1.0
71.68830	0.7
72.61217	0.7
73.02533	0.6
73.02892	4.4
73.04736	0.8
79.05481	1.6
81.03394	1.8
81.07039	10.9
83.04976	0.8
85.02892	47.1
91.05447	5.5
93.07008	2.7
95.08575	2.6
97.02864	5.6
105.07005	9.5
107.08589	4.1
109.02823	1.5
109.06485	2.7
109.10134	5.9
111.04411	1.2
112.07561	0.7
115.03902	3.2
117.07024	1.3
119.08559	12.2
120.08055	1.1
121.06474	1.1
121.10118	4.7
123.08052	1.8
123.11689	50.2
125.05949	3.8
125.09557	0.9
127.03876	2.1
130.07739	1.1
131.06975	0.8
131.08536	2.6
133.04942	3.3
133.06467	3.3
133.10132	1.3
137.05917	1.3
143.08548	1.5
145.04932	2.0
145.10104	13.5
147.08009	1.9
147.11662	22.4
149.05904	1.2
149.09596	4.0
151.03830	1.3
151.07478	1.8
153.01772	2.6
156.09381	3.6
159.08076	0.8
160.08681	1.2
161.05914	1.1
161.13226	1.0
163.05975	1.7
167.05632	0.9
167.06989	1.9
171.11659	4.6
174.10367	1.4
179.14320	1.0
189.12712	100.0
207.13770	57.7
220.11943	0.8
223.06310	0.8
225.14828	21.6
234.23436	0.9
241.07042	1.0
295.10333	1.3
299.06107	1.4
318.77380	0.8
321.16922	1.2
537.15631	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01863	2.6
55.05503	16.4
57.03417	3.0
57.07071	32.1
65.03932	1.9
67.05162	2.1
67.05495	27.3
69.00829	1.0
69.07061	11.5
71.04981	1.3
71.08621	21.7
71.63535	1.9
79.05487	18.2
81.03407	8.2
81.07046	26.9
83.04978	3.8
83.08607	12.7
85.06519	1.7
85.10178	12.1
91.05460	9.7
93.07024	12.6
95.04955	14.8
95.08598	22.0
97.02876	2.2
97.06552	2.9
97.10143	7.3
105.07021	5.8
107.04939	12.4
107.08567	6.8
109.06522	2.3
109.10145	11.0
111.08050	1.3
111.11715	1.7
117.07000	5.3
119.08583	4.1
121.06478	4.1
121.10124	3.8
123.08077	1.6
123.11692	3.4
125.09711	1.2
128.06310	1.0
129.06999	1.2
131.08588	5.1
133.10091	2.4
135.08058	2.4
135.11688	1.5
137.13213	2.4
138.71994	1.0
145.10149	2.7
147.11734	1.1
149.09663	1.4
149.13280	2.0
157.23875	1.0
159.11717	4.7
169.10181	1.9
177.12750	2.8
187.11200	4.2
205.12180	8.5
223.13264	41.5
223.15424	2.3
227.12743	1.3
234.04193	1.3
239.23639	5.6
259.53116	1.1
279.15845	5.7
283.82642	1.2
313.27274	4.9
398.91049	1.1
402.49216	1.3
482.35544	1.3
517.38727	2.9
535.39880	100.0
536.40161	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	535.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	10.8
57.07051	10.2
58.35810	2.2
59.04982	2.7
64.38087	2.3
67.05487	22.9
69.01974	2.5
69.03419	3.8
69.07057	37.9
69.43825	4.8
69.44247	21.6
71.04977	4.4
71.08611	3.2
71.45004	2.2
72.77582	2.2
79.05488	13.9
81.07042	97.2
83.04948	4.9
83.08609	17.7
85.02872	5.8
85.06513	14.2
89.14239	2.4
91.05460	10.4
93.07027	33.3
95.04977	5.0
95.08593	74.8
97.04733	2.6
97.06496	7.7
97.10144	7.9
99.04433	8.1
99.08070	4.8
101.06002	3.0
103.05455	2.5
105.07013	16.9
105.91022	2.5
107.08579	39.1
109.06493	9.8
109.10130	38.6
111.08030	3.2
111.11710	5.3
119.08556	16.4
121.06519	3.8
121.10120	27.3
123.08041	4.8
123.11691	35.0
125.09471	3.0
127.07513	8.2
127.11162	3.1
131.08559	4.4
133.10106	27.0
135.07982	3.7
135.11664	26.4
137.05949	13.6
137.09525	4.4
137.13239	31.8
137.31735	2.9
139.11133	4.4
145.10089	7.2
147.11653	26.6
149.09511	4.3
149.13231	23.7
150.90080	2.6
151.11150	26.2
153.09001	2.9
155.14270	12.1
157.10097	5.3
159.11681	5.6
161.13196	3.3
163.11136	5.4
163.14775	5.5
165.09250	2.9
165.12732	14.3
167.06981	4.4
167.10687	3.1
173.13266	3.0
175.11140	9.3
175.14760	3.0
177.12706	5.0
177.16345	5.2
179.10614	7.3
181.12213	9.9
183.13820	5.9
191.17921	4.8
193.12193	30.4
193.15808	3.5
195.13785	9.3
199.71332	2.2
203.17891	5.3
205.19485	5.1
207.13751	6.3
209.15300	4.3
211.13228	7.7
215.45723	2.4
229.14304	28.8
240.07968	2.7
263.19897	6.0
268.20807	2.4
281.21246	3.0
283.09506	2.6
283.24252	4.9
297.11310	2.9
301.25195	10.1
319.26260	67.1
337.27322	100.0
338.27692	3.5
355.28394	31.5
361.39453	2.6
373.28714	3.0
535.19067	4.4
535.32062	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	535.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	3.1
55.05496	13.6
55.40355	2.2
56.71124	2.0
57.07055	8.8
62.86362	2.2
65.03928	2.6
67.05215	2.3
67.05500	25.0
68.01813	2.1
68.20761	2.2
69.03414	9.4
69.07056	28.1
69.39209	9.1
69.39642	12.2
71.04975	8.4
71.08604	4.1
79.05478	17.9
81.03417	3.1
81.06573	5.2
81.07047	95.7
83.04948	3.3
83.08610	17.2
84.78214	2.2
85.02893	8.2
85.06529	15.1
91.05463	15.4
93.07019	35.6
95.04937	4.2
95.08591	87.0
97.06526	6.6
97.10139	5.2
98.20767	5.1
99.04430	4.9
99.08076	12.8
99.39430	2.5
101.06017	2.2
103.05443	2.5
105.07025	27.2
106.07352	4.7
107.04935	3.2
107.07845	4.2
107.08581	50.9
109.06525	11.0
109.10135	57.3
111.08053	5.2
111.11701	5.4
117.07021	4.7
119.08563	18.1
120.08101	2.5
120.08879	5.7
121.06473	9.1
121.10127	36.4
123.08040	6.6
123.11694	39.6
125.05955	6.8
127.07533	10.4
127.11151	3.5
129.06920	4.9
131.04910	3.6
131.08551	22.0
131.87587	2.5
132.08865	11.6
133.09225	4.1
133.10109	15.9
135.08025	8.2
135.11670	33.0
137.05978	19.9
137.09564	4.0
137.13246	34.8
141.09058	2.7
145.06450	3.2
145.10168	12.6
147.04416	3.2
147.08040	7.0
147.11652	15.8
148.08359	2.9
149.05957	8.5
149.09615	5.1
149.13249	27.4
150.06393	3.9
151.03810	2.6
151.07503	6.3
151.11157	7.4
153.09125	3.3
153.12712	2.5
157.10057	3.8
159.11665	9.3
161.05904	7.2
161.09698	2.8
161.13243	12.5
163.07494	3.5
163.11151	4.4
163.14882	13.6
165.09175	2.7
165.12718	7.4
167.07011	6.9
167.10641	3.2
171.11734	6.2
172.11992	3.2
173.13280	28.5
174.13596	19.6
175.07527	4.2
175.13922	7.6
177.12764	3.8
177.16339	3.3
181.12198	7.7
183.13802	3.3
185.13202	3.3
187.14682	2.7
189.12746	9.7
189.16304	4.5
190.12984	2.6
191.07014	3.1
191.14334	16.5
191.17917	4.8
192.14514	13.2
193.12251	4.7
193.14848	4.6
195.13766	8.7
199.14841	4.3
201.12746	4.1
205.19511	9.4
207.13794	8.5
209.08133	3.2
209.13429	2.3
209.15334	7.7
217.12236	2.8
219.13750	6.4
220.14093	5.1
223.16895	4.3
223.20436	3.8
225.18504	3.3
237.09000	2.6
237.18376	4.1
241.21599	5.3
245.19095	4.1
249.18515	4.2
251.20026	2.7
263.20026	17.8
281.21136	5.7
283.09515	4.1
291.26816	4.6
297.10971	3.2
301.25235	7.5
319.26279	100.0
325.10574	4.4
337.27341	85.4
344.27792	2.5
348.17154	2.8
355.28323	17.0
369.18958	4.5
453.29486	3.6
471.30124	11.5
473.31430	5.0
487.30057	3.9
488.30765	5.6
489.31100	48.5
517.18158	5.5
535.19305	8.1
535.32043	5.4
536.20111	2.7
563.50616	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01862	2.3
55.05503	11.9
57.07066	7.0
57.45365	1.0
59.04984	2.1
61.73308	0.9
67.05492	15.8
69.03422	3.5
69.07057	32.4
70.22030	2.3
70.22407	4.3
71.04980	2.5
71.08613	1.5
73.06512	1.1
79.05480	11.3
81.03417	1.9
81.07042	81.5
83.04970	5.5
83.08601	13.2
85.02873	2.6
85.06524	6.4
91.05459	9.3
93.07030	30.3
95.04959	5.5
95.08591	54.3
97.02871	1.4
97.06488	5.9
97.10130	5.6
99.04429	10.1
99.08065	1.7
100.49516	0.9
101.06001	1.9
105.06296	1.6
105.07005	21.9
107.04944	1.7
107.08578	36.0
109.06490	10.2
109.10140	31.1
111.08068	4.8
111.08784	1.1
111.11710	4.0
117.05450	1.7
117.06979	1.4
119.08564	14.2
121.06488	2.3
121.10120	24.7
123.08065	8.4
123.11697	27.4
125.09627	1.1
127.03840	1.1
127.07531	8.3
129.07047	1.2
131.08568	4.2
133.06540	1.2
133.10112	21.9
135.08031	3.3
135.11676	19.4
137.05969	6.5
137.09636	3.1
137.12183	1.4
137.13237	29.0
139.07581	1.6
141.09044	1.3
143.08553	2.5
145.10103	5.6
147.04390	1.5
147.08034	1.6
147.11667	29.6
149.09615	3.8
149.13242	14.2
151.03867	1.3
151.07523	4.6
151.11166	29.1
151.14827	2.9
153.09081	2.9
153.12747	3.3
155.14284	20.6
157.10124	2.8
159.11681	4.9
161.13255	4.6
163.11192	5.0
163.14824	4.3
165.12737	13.7
165.16429	2.4
167.07030	1.5
167.10649	2.7
167.14307	2.8
169.12279	2.1
171.11703	2.2
173.13181	2.7
175.11134	8.0
175.14810	2.9
177.12759	2.5
177.16356	4.2
179.10652	4.4
179.14328	1.1
179.17915	2.3
181.12186	8.0
183.13809	4.4
185.13266	2.2
187.14807	1.3
189.12729	3.4
189.16237	2.3
191.17960	2.6
193.12209	25.5
193.14064	1.2
195.13817	3.5
199.14815	2.0
201.16292	1.8
203.17937	2.8
205.19493	3.1
207.13737	6.4
209.15417	2.6
211.13255	6.8
221.18967	1.6
223.16942	2.1
227.17793	1.3
229.14328	30.4
231.17221	1.2
235.16891	1.8
245.18854	1.1
249.18422	1.6
259.24109	2.0
263.19879	6.7
273.37585	1.0
283.24237	3.2
291.26810	1.4
301.25192	5.4
319.26251	54.2
320.26620	1.6
325.56046	1.1
337.27313	100.0
338.27536	2.0
355.28394	21.0
373.29495	7.6
463.77051	1.1
471.31104	1.3
499.85141	1.0
517.18829	1.4
535.32312	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	535.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.01854	6.8
55.05492	16.2
57.03417	6.4
61.02913	5.2
65.03918	5.7
67.05492	24.9
69.03423	19.4
69.07069	33.3
69.45830	34.0
71.04984	21.1
71.84751	3.4
73.02884	6.0
79.05483	25.1
81.03404	16.5
81.07056	66.9
83.04981	20.5
83.08599	11.5
85.02895	21.4
85.06523	13.6
85.81445	3.3
87.04405	4.2
91.05469	36.4
93.07027	61.1
95.04977	25.3
95.08605	60.6
97.02872	11.9
97.06532	27.8
97.10156	3.6
99.04442	13.8
99.08080	11.3
101.06003	5.3
103.05425	4.9
105.07022	91.1
107.04985	19.2
107.08579	74.4
109.02826	5.3
109.06522	18.2
109.10140	33.4
110.31568	3.4
111.04414	5.3
111.08023	6.5
114.31399	3.5
115.05429	7.4
117.06998	28.3
119.04943	5.2
119.08566	100.0
121.06490	25.3
121.10123	49.6
122.50076	4.4
123.04579	6.6
123.08073	11.2
123.11664	16.2
125.05978	15.5
125.09599	7.2
127.03894	15.6
127.07536	11.3
127.11147	5.0
128.06172	9.5
129.06979	13.8
131.04941	8.4
131.08546	65.2
133.06456	14.1
133.10120	77.3
135.04407	11.4
135.08057	15.8
135.11664	30.6
137.05962	53.7
137.09593	12.9
137.13255	5.0
139.07530	5.0
140.56187	3.8
141.06984	5.1
142.07770	6.7
143.07024	11.3
143.08530	37.9
144.09236	5.3
145.06425	7.8
145.10101	85.7
147.04402	9.6
147.08043	20.5
147.11662	55.0
149.05951	11.9
149.09557	9.8
149.13214	16.3
151.03844	23.7
151.07545	12.3
151.11194	7.1
153.05431	9.4
153.09073	7.2
155.08513	15.8
155.10657	5.4
156.09314	12.0
157.10097	38.0
159.08009	14.0
159.11665	61.2
160.05231	7.2
161.05972	20.6
161.09627	18.3
161.13234	44.0
162.06715	5.9
163.03923	7.9
163.07553	12.0
163.11221	19.1
163.14761	20.7
165.05376	5.3
165.09131	5.3
165.12675	5.4
167.07057	35.9
167.10658	4.7
169.10062	21.1
170.10797	5.0
171.11638	39.4
173.09590	24.6
173.13243	62.2
175.07564	19.7
175.11200	16.3
175.14822	36.9
177.05487	7.7
177.09111	8.7
177.12677	11.0
177.16380	14.4
179.06981	4.4
179.10669	10.7
179.14284	4.1
181.08658	4.5
181.12256	5.8
183.11667	27.9
185.09566	8.2
185.11832	4.5
185.13232	26.9
187.07568	9.9
187.11195	34.9
187.14801	88.0
189.09152	6.2
189.12715	57.7
189.16371	33.2
191.07022	9.3
191.10680	13.4
191.14255	22.0
191.17963	14.4
193.08559	7.7
193.10155	4.8
193.15755	4.0
195.11607	5.8
197.13205	8.4
199.11121	12.1
199.14790	17.6
201.12727	8.9
201.16354	76.9
203.07031	9.1
203.10680	25.3
203.14273	10.2
203.17970	41.5
205.08598	7.3
205.12207	25.8
205.15816	6.7
207.10207	6.2
207.13753	17.3
207.17511	4.3
209.08080	6.0
209.11627	7.2
213.16241	6.9
215.10690	17.4
215.14288	7.2
217.12227	16.6
217.15752	8.2
219.10300	5.8
219.17374	9.2
221.11710	8.3
227.10617	4.4
229.12181	10.5
229.15904	6.5
229.19548	8.5
231.13699	7.2
233.11702	11.6
233.15446	5.5
235.07520	4.6
235.13208	9.7
235.16873	7.8
241.12270	4.9
243.13844	9.5
245.15112	4.2
247.16895	20.4
249.14856	4.2
249.18529	5.1
251.12750	49.4
253.14351	7.8
263.16232	5.2
265.14328	9.4
269.13828	9.0
277.08789	4.8
291.10181	4.9
301.21759	6.1
305.17517	4.9
309.11050	10.1
319.22607	11.0
321.11124	5.8
333.11154	5.2
337.23764	11.2
351.12225	8.0
355.24695	8.4
359.14893	5.2
377.15695	10.7
389.28201	10.4
391.29965	7.2
394.91904	4.8
395.16953	11.5
396.42282	4.3
405.27927	11.3
407.29349	9.6
413.17935	21.1
417.27771	10.7
423.28787	19.1
435.23584	6.4
435.28876	27.9
436.21997	5.0
437.30487	8.3
451.28467	23.2
453.29956	53.8
454.30450	5.0
455.31317	14.4
463.28195	7.8
469.29459	16.3
471.30997	48.4
473.32404	8.1
481.29340	7.7
489.31891	7.7
499.30566	26.2
517.18909	6.8
517.31274	11.0
535.19867	22.5
535.32086	4.8
536.19592	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	535.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.5
55.05507	15.9
57.03437	6.9
57.07075	6.0
67.05492	27.9
67.41155	3.2
69.03439	3.5
69.07058	34.7
69.79768	3.0
71.04974	4.4
71.62468	4.0
74.73901	3.1
79.05480	21.1
81.03400	5.4
81.07045	100.0
83.04975	6.9
83.08612	16.0
85.06537	14.2
91.05458	19.7
93.07030	42.2
95.04913	4.4
95.08594	81.1
97.02869	6.8
97.06499	7.3
97.10168	9.6
99.04440	3.9
99.08097	8.5
105.07012	51.1
105.94630	4.1
107.08581	53.6
109.06497	12.2
109.10154	47.2
111.04362	3.3
111.08071	7.9
111.98875	3.0
117.07037	13.2
119.08572	57.5
121.06522	3.8
121.10127	45.0
122.10436	3.6
123.08026	7.3
123.11701	27.7
127.07556	7.4
128.06184	3.7
129.06984	10.2
130.07751	4.0
131.04932	3.7
131.08571	31.7
133.10112	45.1
135.08052	5.1
135.11681	28.4
137.05994	11.4
137.09639	5.5
137.13234	29.2
139.07454	3.6
141.12733	7.5
142.07742	7.3
143.08568	17.3
145.10089	48.2
147.08011	8.6
147.11688	38.7
148.20714	3.0
149.05901	6.4
149.13235	23.1
151.11162	9.8
151.14845	3.5
153.09088	5.5
155.08510	8.0
155.14288	16.4
156.09331	6.4
157.06447	3.1
157.10110	18.2
158.10834	3.9
159.08031	7.1
159.11667	36.8
161.09599	10.4
161.13237	25.7
163.11205	5.3
163.14784	15.7
165.12733	7.0
167.07062	4.6
167.10669	4.5
168.09364	4.4
169.10126	6.7
170.10858	3.8
171.11664	20.9
173.05894	3.3
173.09598	3.7
173.13240	32.0
175.07475	6.5
175.11110	7.0
175.14784	17.7
177.12755	6.8
177.16380	9.8
179.10664	3.9
181.12274	6.9
183.11681	17.2
185.09593	4.9
185.13185	21.6
187.11195	8.8
187.14819	52.6
189.12711	39.9
189.16350	19.2
191.14281	9.5
191.17947	14.6
193.12231	11.6
195.11784	3.8
195.13847	8.9
197.13260	7.4
199.11185	6.7
199.14819	12.4
201.03711	3.2
201.12697	5.9
201.16348	43.8
203.10670	14.1
203.14369	8.0
203.17932	36.6
205.12332	4.5
205.19519	10.6
207.11829	4.7
207.13873	8.7
213.16354	4.4
215.10857	4.6
215.14409	3.7
217.12251	8.3
217.15895	3.6
219.17435	8.4
221.11647	5.5
223.20540	3.1
227.17775	4.0
229.14264	5.4
235.16881	6.5
243.13881	4.7
247.16888	19.5
251.12723	17.1
263.20108	5.2
265.14432	7.6
273.14948	4.2
299.06223	3.2
313.10916	3.2
319.26324	52.7
337.27371	57.8
355.28378	12.5
373.29269	7.2
391.30164	3.6
405.27771	9.6
407.29401	8.0
417.27682	10.5
423.28918	10.3
435.28915	12.9
437.30511	6.5
451.28378	11.8
453.29843	35.4
455.31595	7.2
469.29346	7.2
471.31128	19.2
473.32300	7.5
481.29770	8.1
499.30344	14.7
517.31702	4.0
535.19537	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	535.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01851	6.6
55.05259	2.9
55.05495	20.4
57.03419	3.8
57.07065	9.4
59.04977	3.1
67.05495	32.2
69.03411	9.8
69.07052	35.2
70.68034	2.8
71.04992	3.8
79.05474	20.3
81.03426	7.3
81.07043	100.0
83.04964	6.7
83.08611	17.8
85.02885	9.0
85.06532	10.8
91.05441	27.5
93.07033	53.5
95.04944	11.4
95.08593	76.2
97.06485	6.9
97.10151	9.4
98.43236	3.0
99.08128	5.0
99.22178	3.3
100.39481	3.1
105.07015	65.1
107.04964	5.0
107.08569	52.6
109.02819	4.3
109.06485	14.1
109.10134	41.4
111.04449	4.2
111.08065	4.2
111.11676	3.7
115.05425	4.0
117.06993	18.7
119.07773	6.5
119.08562	81.2
121.06510	10.4
121.10116	31.9
123.04456	4.5
123.08076	8.5
123.11691	25.7
125.09631	5.7
127.03925	5.3
127.07569	6.5
128.06223	5.2
129.06970	11.8
130.61400	3.1
131.08546	47.9
133.06483	10.0
133.10115	56.9
135.08037	6.4
135.11653	27.5
137.05940	28.9
137.09567	4.5
137.13234	21.9
139.03926	3.9
141.06924	6.2
141.12683	3.5
142.07718	8.7
143.08533	22.2
144.09273	3.6
145.06470	7.5
145.10101	61.5
147.04366	3.7
147.08022	12.9
147.11650	40.7
149.05965	4.0
149.09578	9.1
149.13235	30.6
151.03860	5.7
151.07506	7.8
151.11160	7.5
153.09106	5.4
155.08536	4.8
155.14299	13.6
156.09303	10.0
157.10129	25.3
158.10805	6.1
159.08057	4.6
159.11650	38.9
161.05939	4.8
161.09576	8.6
161.13199	29.5
163.07539	5.7
163.11174	10.9
163.14778	22.6
165.09148	5.2
165.12724	8.0
167.05594	3.6
167.06985	10.3
167.08417	3.6
167.10652	3.5
169.10126	8.8
171.11658	32.6
173.09578	8.3
173.13255	44.8
175.07547	9.5
175.11209	12.2
175.14777	24.9
177.05489	4.0
177.12737	11.4
177.16348	15.8
179.10663	5.8
181.12256	5.7
183.11671	16.1
183.13342	3.2
185.09595	4.7
185.13158	20.8
187.11119	6.2
187.14793	53.4
189.09161	5.9
189.12714	44.7
189.16362	32.2
191.14320	11.6
191.17920	13.9
193.12238	9.8
197.13255	7.6
198.29196	3.3
199.11168	8.0
199.14798	17.1
201.12700	7.6
201.16364	51.8
203.10600	17.0
203.14268	9.8
203.17911	46.4
205.12325	8.0
205.19502	9.3
207.11861	3.7
207.13750	12.2
209.13400	5.0
209.15222	4.3
211.11227	4.3
213.16386	6.0
215.10655	5.9
215.14273	6.6
215.17944	6.0
217.12167	11.1
217.15749	4.1
217.19391	4.2
219.10118	5.0
219.13814	7.5
219.17465	7.9
221.11620	5.6
229.12183	7.3
229.19620	7.1
231.13824	5.8
235.13266	8.3
235.16946	6.5
247.16841	18.8
249.14932	3.7
249.18434	4.4
251.12741	29.0
251.19922	5.0
253.14456	5.4
255.13759	4.5
263.20004	6.3
265.14301	11.0
283.15396	7.0
319.26218	36.2
337.27322	43.1
355.28394	13.8
364.84314	4.1
373.29202	6.1
374.52411	3.5
389.28079	5.3
391.29788	7.2
405.27698	10.1
407.29276	5.9
417.27798	10.8
419.29398	4.0
423.29077	17.2
425.30637	4.7
435.28845	24.6
437.30676	9.0
451.28543	15.9
453.29852	50.6
454.30225	3.7
455.31427	14.5
463.28183	9.4
469.29449	9.7
471.30905	32.4
473.32642	7.3
481.29361	11.3
499.30673	20.4
517.18329	5.3
517.31360	10.7
535.19318	12.6
535.30640	6.9
535.80475	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.2
55.05492	0.9
57.03415	0.9
57.12616	0.2
60.08148	0.5
61.16621	0.2
67.05498	2.7
68.92304	0.2
69.03420	0.5
69.07054	0.7
70.81841	0.3
70.82187	0.6
71.04984	0.5
79.05488	1.6
81.03419	2.3
81.07048	2.8
83.04974	0.7
83.08599	1.2
85.02888	1.9
85.06488	0.2
86.09705	2.3
87.10002	0.3
91.05456	1.8
93.07035	2.2
94.66944	0.2
95.04951	1.1
95.08604	1.6
97.02867	0.6
97.06502	0.4
98.98444	0.4
104.10732	0.5
105.07011	1.6
107.04933	0.4
107.08598	1.4
109.02852	0.2
109.06489	0.4
109.10151	0.9
111.08059	0.6
117.07014	0.3
119.08548	1.6
121.10133	1.0
123.08015	0.3
123.11691	0.8
124.99981	1.5
125.09586	0.5
127.03883	0.3
129.07005	0.4
131.08556	1.0
133.06456	0.3
133.10100	1.3
135.11684	0.8
137.05952	0.4
139.45879	0.2
142.07823	0.3
143.08562	0.2
145.10109	0.6
147.08020	0.6
147.11658	1.2
149.09590	0.3
149.13232	0.4
151.11203	0.3
157.10114	0.8
159.11702	0.2
163.06023	0.2
163.11168	0.6
171.11658	0.3
175.11165	0.6
184.07314	7.0
185.07674	1.8
189.16399	0.3
193.12268	0.9
203.14310	0.2
206.19928	0.4
211.13266	0.6
243.13875	0.3
251.12532	5.8
269.12326	0.2
276.13177	0.4
285.10013	0.6
285.16913	1.1
299.05957	0.3
307.15088	4.6
344.97745	0.3
437.25250	0.7
517.31232	1.0
535.28693	100.0
536.28906	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	534.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.7
53.03941	3.9
53.73184	0.7
55.05503	12.8
56.05027	8.6
57.07071	6.4
58.02946	0.8
58.06594	1.3
60.04513	4.1
63.25261	0.7
65.03928	1.4
67.04228	0.8
67.05493	25.5
68.05010	2.4
69.07059	16.3
69.62037	4.3
69.62458	1.3
70.06581	4.5
71.08617	3.0
79.05483	22.4
79.05952	0.8
80.05005	8.2
81.05775	3.2
81.07043	19.7
82.06568	16.1
83.08608	9.0
84.08117	1.6
85.10149	1.0
86.06003	0.8
91.04901	0.9
91.05463	18.5
93.05772	1.5
93.07029	21.1
93.07619	1.1
94.06552	38.2
95.04962	3.5
95.07336	18.4
95.08587	15.6
96.08119	7.8
97.06528	1.0
97.10133	4.8
98.06022	1.2
98.21526	1.0
100.07587	0.9
105.04488	1.1
105.07016	11.2
107.07317	0.7
107.08575	8.6
108.08102	7.2
109.10130	7.0
111.11722	1.8
115.35605	0.7
119.08566	9.7
121.08863	1.0
121.10131	8.6
122.09663	5.2
123.11694	1.7
133.10123	6.0
134.09647	0.7
135.10529	1.3
135.11658	4.3
136.11197	1.5
147.11671	1.7
149.13220	1.5
189.94920	0.6
191.17847	1.0
220.20494	0.9
233.22650	5.0
245.22672	4.2
250.25233	12.3
262.25259	100.0
266.24765	0.7
272.25729	2.8
280.26285	10.0
290.40298	0.7
381.26477	0.8
504.47623	3.3
516.47626	10.3
534.48743	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	534.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.0
55.05299	1.8
55.05503	20.1
56.81518	1.6
57.03418	7.2
57.07059	10.1
60.08136	5.0
61.02912	7.7
65.03944	1.8
67.05496	75.2
69.03405	3.2
69.07058	28.9
69.48141	8.0
69.48567	7.6
71.04981	1.7
71.07349	3.5
71.08616	7.2
74.09706	2.0
78.53564	1.7
79.05486	26.3
80.58884	1.7
81.03392	2.9
81.07044	100.0
82.07353	2.1
83.04966	2.9
83.08612	24.6
85.02892	6.6
85.06535	4.1
85.10155	3.3
86.09695	19.6
91.03931	2.9
91.05462	20.1
93.07033	29.5
95.08589	82.2
96.08943	2.0
97.02872	1.9
97.06535	8.0
97.10162	15.6
98.21437	3.2
99.08068	3.3
104.10724	34.7
105.07005	12.9
107.08592	20.0
109.06497	2.3
109.10132	44.8
111.08032	3.6
111.11674	3.0
113.09593	3.1
117.06956	2.5
119.08577	13.0
121.02210	1.5
121.10131	22.4
122.50768	1.6
123.11701	20.2
125.00015	8.3
125.09615	4.3
127.11116	2.6
129.05434	1.8
129.06964	1.8
131.08522	2.3
133.10107	19.1
135.11661	13.1
137.09587	2.0
137.13216	7.7
141.12675	3.3
145.10104	2.7
147.11647	11.6
149.13229	12.0
151.11188	1.8
151.14818	5.7
155.14288	4.1
159.11722	1.9
161.13231	12.3
163.14807	11.8
165.16371	8.5
175.14828	12.6
177.16318	4.2
179.17938	6.9
184.07318	37.5
189.16360	5.8
193.12230	2.3
193.15855	2.0
217.19884	1.8
227.74156	1.6
245.22606	68.1
263.23663	92.5
264.24054	1.9
337.27332	60.2
355.28366	11.4
475.21707	2.0
499.32852	2.8
516.34760	3.5
534.35339	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	534.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60241	0.7
53.03936	1.3
55.01870	6.9
55.05283	0.7
55.05502	6.7
56.88654	0.7
57.03428	15.4
57.07058	2.3
59.00085	0.7
59.04981	2.4
61.02916	8.0
65.03914	1.0
67.05170	0.9
67.05498	12.4
69.03421	24.9
69.03801	1.3
69.06712	1.0
69.07056	11.6
71.01329	2.9
71.04977	1.8
71.62193	1.3
73.02908	27.2
79.05489	7.0
81.03413	5.9
81.07047	24.5
81.46375	0.7
83.04951	1.3
83.08604	6.9
85.02892	86.1
86.09682	1.9
87.04441	3.0
87.10207	0.8
91.03932	2.9
91.05462	3.3
93.07030	24.4
95.04958	1.8
95.08593	31.0
97.02877	46.3
97.10159	8.4
99.04436	4.0
101.02330	1.1
101.43035	0.7
103.03949	3.9
104.10727	1.1
105.07001	4.1
107.04939	1.5
107.08577	21.8
108.08891	0.9
109.02873	7.3
109.06493	1.0
109.10139	37.2
110.10470	1.1
110.77744	0.6
111.04434	0.8
111.11736	1.3
115.03911	26.1
119.08549	2.9
121.10132	26.5
123.08010	1.5
123.11691	30.7
127.02950	1.2
127.03900	28.3
133.04948	44.9
133.10063	1.6
135.08060	0.7
135.11671	19.5
137.05949	1.4
137.13203	0.9
145.04938	51.0
145.10086	1.4
147.11642	2.5
149.09666	0.8
149.13234	39.7
150.07573	3.1
151.11139	2.4
157.04950	0.8
161.13226	1.1
163.06003	28.2
163.07387	1.7
163.14798	3.3
169.04907	0.8
175.11102	1.0
180.08571	1.0
181.05035	1.0
184.07292	6.5
187.06110	0.8
193.05032	1.5
198.09755	1.0
199.05978	1.6
203.17923	0.8
204.08548	1.6
204.18163	1.0
205.19489	100.0
206.19778	1.8
207.13690	0.8
211.06000	0.9
217.07028	2.8
222.22035	1.7
223.05951	6.5
241.07004	9.5
253.14232	0.9
259.08124	22.1
277.09171	5.6
295.10187	23.5
319.26129	1.5
330.13965	1.5
337.23657	1.2
337.27313	18.4
516.30280	1.3
534.31079	1.3
535.28992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14321	0.1
55.01866	0.2
55.05501	0.6
56.05032	0.5
57.03423	0.7
58.06353	0.2
58.06606	0.4
60.08156	6.3
61.02893	0.2
67.05495	1.2
69.03421	0.9
69.07047	0.5
70.06540	0.2
70.88708	0.3
71.07366	2.4
73.02913	0.9
79.05481	0.9
80.68353	0.2
81.03394	0.2
81.07047	2.0
83.08624	0.4
84.04585	0.1
85.02892	2.0
86.09692	27.5
91.05450	0.7
93.07030	1.6
95.04967	0.4
95.08595	2.2
97.02896	1.3
97.06514	0.2
97.10161	0.3
98.98447	2.6
99.04469	0.2
101.67664	0.2
104.10725	2.8
105.06994	0.4
107.08585	1.4
109.10146	1.9
115.03935	0.8
117.07006	0.2
119.08556	0.5
121.10141	1.1
123.11717	1.0
124.99984	19.2
127.03889	0.7
131.08498	0.2
133.04941	0.7
133.10121	0.4
135.11703	1.3
137.05966	0.4
143.01038	0.3
145.04941	0.8
145.10143	0.3
147.04460	0.2
147.11646	0.3
149.13213	2.0
159.11656	0.2
163.06053	0.3
184.07310	100.0
185.07634	0.6
203.17914	0.3
205.19475	2.8
223.20544	1.2
241.06995	0.3
258.10727	0.2
259.08212	0.3
295.10074	0.6
498.29541	0.7
516.30811	7.3
517.30396	0.2
534.31006	0.5
535.28271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73024	0.3
52.15859	0.2
52.70556	0.3
53.03948	0.3
55.01854	0.6
57.07057	2.0
59.04988	1.1
60.04508	0.3
64.91123	0.3
67.05499	1.3
69.03416	1.2
69.07053	1.9
70.02940	1.5
71.04975	0.6
72.04503	6.1
73.02908	1.9
74.02422	0.6
74.17094	0.3
79.01862	0.8
81.03403	2.6
83.04953	0.6
85.02886	1.1
85.06532	2.8
86.09690	1.0
87.08089	1.1
90.05539	41.6
95.04965	2.1
96.08138	0.4
97.02882	1.8
98.02396	5.8
99.04459	0.4
100.03962	1.4
103.07574	2.5
107.01328	0.7
109.02849	1.4
112.07581	0.3
113.06007	1.4
116.03442	7.2
122.81339	0.3
124.07571	6.8
125.02348	1.1
127.03887	2.0
128.21576	0.3
128.55923	0.2
131.06985	0.7
142.08611	3.6
143.03416	1.7
145.04897	0.5
145.08536	0.4
153.01805	28.8
153.02798	1.2
156.10133	0.4
160.09663	0.8
166.08582	1.0
171.02875	2.6
174.11244	1.1
176.03375	1.3
184.09662	9.1
194.04404	0.4
199.06322	0.3
202.08792	0.6
202.10707	17.0
220.11765	100.0
221.11963	0.4
223.05983	1.7
236.04060	0.3
284.20947	0.3
297.06018	1.4
315.06879	2.4
403.75098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3831
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
53.03940	4.5
55.05505	23.4
57.03422	12.4
57.07060	14.2
59.34781	3.3
65.03917	3.8
67.05498	84.4
69.07056	28.7
71.04959	7.9
71.08627	7.6
71.63132	4.7
72.33981	3.6
79.05483	52.2
81.03394	10.3
81.07044	75.6
83.04975	5.5
83.08616	19.2
85.06524	9.3
91.05463	37.8
93.07031	64.2
95.04946	8.9
95.08603	55.7
97.06522	10.5
97.10163	8.6
105.07013	32.4
107.08583	44.8
109.10147	33.4
111.08019	4.1
117.07001	10.9
119.08567	24.5
121.06503	4.0
121.10128	22.2
123.11660	13.4
125.09618	4.0
129.07001	6.2
131.08553	26.2
133.10130	25.8
135.11668	43.0
135.71782	3.9
137.09572	6.2
137.13229	6.1
141.54999	3.5
145.10121	24.4
147.11684	13.5
149.09555	3.9
149.13211	11.7
157.10063	7.7
159.11661	11.0
161.13240	8.8
163.11148	6.0
171.11740	5.5
173.13223	7.4
181.12178	5.2
185.13106	6.1
187.14796	5.7
193.12238	8.3
227.12744	5.8
253.14310	5.0
255.15808	26.6
261.22089	15.2
285.46426	3.6
287.05627	3.9
287.23666	7.4
335.25656	18.0
359.24017	3.6
413.34232	3.9
423.32468	10.7
426.16843	3.6
441.33493	14.1
459.34628	8.6
497.36224	5.2
513.76404	3.9
515.37305	100.0
533.37958	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01853	0.8
55.05495	3.2
56.47380	0.5
57.03421	0.6
57.07048	1.9
58.25360	0.7
59.04975	1.3
60.27034	0.6
67.05505	3.1
68.26003	0.6
69.03400	2.3
69.07057	4.4
71.04961	1.2
71.63012	1.1
79.05489	6.1
81.03405	1.7
81.07043	12.4
83.04962	1.8
83.08596	1.7
85.02885	1.6
85.06512	2.7
91.05460	11.9
91.45764	0.6
93.07029	12.2
95.04939	4.2
95.08595	8.2
97.02885	1.4
97.06516	3.4
99.04436	1.1
99.08085	6.6
101.05947	0.7
103.05452	1.9
105.07012	36.0
106.96581	0.6
107.04937	2.5
107.08575	15.9
109.06465	2.8
109.10136	4.0
111.04471	1.2
111.08052	1.2
113.05975	0.8
115.05434	1.6
116.06219	0.9
117.06998	5.0
119.04906	0.8
119.08558	27.0
121.06492	6.8
121.10123	8.3
123.04391	0.7
123.08058	2.3
123.11682	1.7
125.05970	5.1
127.03891	1.2
127.07517	1.3
128.06190	0.8
129.05417	0.6
129.06978	4.4
131.04906	9.2
131.08545	80.7
132.08855	1.2
133.06468	2.3
133.09212	0.8
133.10109	7.5
135.08015	5.2
135.11673	3.7
137.05962	3.4
137.09549	1.5
139.07565	1.0
142.07796	1.2
143.08537	7.4
144.09306	1.0
145.04948	0.7
145.06522	0.9
145.10100	15.0
145.11264	0.9
147.04372	2.1
147.06909	1.2
147.08026	16.5
147.11664	8.5
149.05963	24.0
149.09598	3.4
149.13231	2.8
151.07515	1.7
151.11226	1.0
153.01816	0.9
155.08559	1.5
156.09277	4.1
157.06436	0.7
157.10132	4.5
158.10893	3.0
159.08017	1.7
159.11671	5.9
161.09557	3.1
161.13214	10.3
163.07564	2.5
163.11147	2.1
163.14778	16.2
163.16089	1.1
165.09169	0.8
167.07050	1.0
169.08644	0.6
169.10080	1.8
171.11658	18.2
173.09694	1.8
173.13235	96.6
174.13556	1.4
174.24821	0.6
175.07556	1.6
175.11136	3.4
175.14790	4.4
177.12668	0.7
181.08667	0.9
181.10052	0.9
183.11652	2.6
185.13248	2.7
187.11092	2.0
187.14734	1.8
189.12701	12.5
189.16324	1.2
191.14275	65.4
192.14639	0.8
193.12305	0.9
195.11710	0.9
197.13208	1.5
199.11122	2.2
199.14813	2.0
201.12704	10.2
201.16345	0.8
203.10580	0.7
203.14294	5.4
203.18047	1.0
205.12166	0.8
205.15886	0.9
207.13722	3.1
211.14749	1.3
213.12633	1.4
213.16388	0.9
215.10652	0.7
215.14299	1.3
217.12222	14.8
217.15851	2.3
219.13756	34.8
221.15387	1.6
223.13126	1.2
225.13072	0.6
226.19107	0.6
231.13747	1.4
233.11578	0.8
235.13261	12.9
235.16879	4.8
237.14813	5.8
245.13080	0.7
253.14409	2.2
279.19443	2.8
319.66724	0.6
335.25735	1.2
371.10880	0.8
371.15155	0.9
387.27066	0.7
405.27771	2.8
415.24927	2.0
423.29135	1.1
427.28552	1.0
433.27109	2.2
441.29880	2.8
451.28409	5.5
453.29898	1.0
469.22742	0.9
469.29425	19.8
470.29507	0.6
471.30927	6.2
487.30484	100.0
488.30780	2.5
489.32138	3.3
515.29950	3.8
533.23566	1.0
533.31104	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	533.3104
Annotation	Ganoderic acid G
Peak:m/z	Relative Intensity
50.94537	0.5
53.03918	0.8
53.25360	0.5
55.05486	2.5
57.07046	0.6
58.93118	0.5
59.04982	0.6
62.73536	0.5
65.03891	0.5
67.05487	2.1
69.03423	1.1
69.07053	3.5
69.93605	0.8
69.94017	2.4
79.05491	5.7
81.07047	8.3
83.04971	1.2
83.08596	1.5
85.06513	1.1
91.05466	10.3
91.72477	0.5
93.07028	8.0
95.04923	1.5
95.08591	6.9
97.02912	0.5
97.06522	1.8
99.08080	5.5
103.05428	1.8
105.07014	31.3
107.04925	1.5
107.08578	13.5
109.06522	2.8
109.10139	3.5
111.04446	0.8
111.08054	1.1
115.05466	1.2
116.06267	0.6
117.06999	4.5
119.08559	24.8
121.06491	7.0
121.10116	6.4
123.08049	1.7
123.11692	1.2
125.05981	4.5
127.07549	0.6
128.06198	1.2
129.06961	3.0
130.07747	0.6
131.04898	8.2
131.08546	72.3
133.06483	1.4
133.09412	0.5
133.10115	6.2
135.08049	5.4
135.11646	3.4
137.05945	0.8
137.09546	0.7
139.07510	1.0
142.07748	0.8
143.08545	6.7
144.09320	1.4
145.06447	1.0
145.10100	11.2
147.08022	17.5
147.11655	7.0
149.04752	1.3
149.05952	24.5
149.09615	2.4
149.13278	2.5
151.07564	0.8
151.11159	2.4
155.08502	1.4
156.09312	4.0
157.10097	3.6
158.10869	2.3
159.08072	1.5
159.11646	4.6
161.09578	3.1
161.13225	9.5
163.07495	1.8
163.11177	1.3
163.14795	14.3
169.10088	1.7
171.11667	17.7
173.13235	92.5
175.07544	1.0
175.11232	2.4
175.14801	3.7
177.09042	0.6
179.10706	0.9
181.08597	0.6
181.10072	0.8
182.10919	0.8
183.11679	1.9
185.13220	1.9
187.11105	0.9
187.14807	1.7
189.12718	12.8
191.14273	60.8
192.14558	0.6
193.12189	1.2
195.11635	1.3
197.13216	1.7
199.11194	2.5
199.14764	2.5
201.12698	7.7
203.14249	4.8
203.17963	0.8
207.13739	3.0
211.14697	0.6
213.12755	0.7
215.14415	1.2
216.14819	0.6
217.12216	15.4
217.15567	2.7
219.13766	34.4
221.15364	0.7
229.15982	0.6
235.13234	12.2
235.16798	3.8
237.14760	4.8
243.17580	0.5
253.14391	2.2
255.17369	0.6
264.35587	0.6
335.25763	2.6
347.23547	0.7
405.27686	1.6
407.29443	1.0
415.25186	1.6
423.28830	1.3
433.27469	2.4
441.29773	2.5
451.28311	5.9
453.30438	0.6
469.22815	0.9
469.29468	19.2
471.30966	7.3
487.30484	100.0
488.30908	1.9
489.32175	3.2
515.29993	3.0
533.24152	1.2
533.31439	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	533.3106
Annotation	Ganoderic acid G
Peak:m/z	Relative Intensity
53.03940	2.1
55.05500	4.7
57.03405	1.4
57.07062	1.2
62.06282	1.1
65.03925	1.5
67.05501	8.7
69.03413	4.1
69.07058	10.8
71.04983	1.9
73.02917	1.3
79.05479	11.9
81.03400	3.4
81.07048	21.1
83.04958	2.6
83.08604	3.5
85.02877	5.2
85.06514	3.2
91.05469	13.9
93.07034	16.5
95.04979	6.0
95.08592	15.3
97.02884	3.8
97.06499	3.2
99.04437	1.4
99.08057	2.2
103.05419	1.3
105.07018	38.5
107.04922	3.2
107.08573	30.1
109.02885	1.9
109.06484	5.3
109.10145	9.5
109.56355	1.5
111.04414	1.5
111.08086	1.8
115.05446	1.8
117.07000	6.8
119.08566	35.2
121.06482	10.1
121.10132	15.8
123.08065	4.5
123.11684	2.9
125.05972	4.3
127.03815	1.5
127.11138	2.5
128.06181	1.7
129.06966	4.4
130.07759	1.4
131.04904	2.5
131.08546	71.4
133.06468	11.2
133.10106	18.2
135.08044	11.1
135.11702	7.1
137.05948	6.9
137.09592	1.4
141.07014	1.3
142.07790	1.9
143.08534	9.1
144.09242	1.6
145.04927	2.0
145.06474	2.4
145.10109	18.2
147.04321	1.5
147.08055	11.0
147.11662	13.7
149.05962	2.8
149.09621	6.5
149.13203	4.9
151.07512	2.0
151.11107	1.3
155.08548	4.7
156.09309	5.2
157.10106	14.0
158.10919	2.7
158.36794	1.2
159.08025	2.3
159.11664	12.9
161.09584	8.7
161.13243	13.6
163.07489	2.7
163.11172	4.3
163.14796	18.2
165.07014	1.4
165.12796	1.4
167.10713	1.3
169.10095	5.3
171.07996	1.2
171.11641	24.8
173.09615	2.5
173.13235	77.3
175.07581	2.7
175.11179	3.9
175.14789	7.7
177.09131	1.9
177.12738	3.7
179.10690	1.6
181.10088	2.0
182.10916	1.4
183.11642	6.5
184.07353	1.7
185.09622	2.3
185.13223	9.0
187.07535	1.3
187.11200	1.6
187.14807	8.9
189.12717	12.6
191.10635	1.6
191.14276	49.1
193.15875	2.2
195.11748	2.7
197.13199	5.3
199.11177	4.0
199.14812	6.0
201.12706	17.6
201.16310	2.7
203.10640	1.6
203.14291	11.1
203.17888	5.4
205.12283	1.4
205.15843	1.4
209.13297	2.3
209.15331	1.4
211.14864	2.4
213.12842	1.5
213.16302	1.9
215.14366	7.3
217.12224	14.0
217.15871	3.3
219.11732	2.4
219.13766	24.9
221.15292	1.5
221.18956	3.1
223.14818	1.6
225.16365	2.0
227.12564	1.5
227.17851	2.0
229.15915	2.6
235.13232	4.3
235.16928	1.9
237.16638	1.3
239.20151	2.2
251.18021	2.0
253.19650	1.3
255.17371	1.8
335.25763	2.3
353.26889	1.6
387.26523	3.3
389.28296	2.1
403.24686	10.7
405.27808	4.2
415.26096	1.7
423.28979	2.1
433.27466	6.5
435.23672	3.1
441.29785	3.8
451.28293	7.5
454.27100	4.6
459.30893	4.4
465.51053	1.5
469.29489	27.3
471.30826	3.9
487.30478	100.0
488.30667	2.4
505.31384	3.1
515.29956	67.6
516.30457	1.4
533.18158	1.9
533.30963	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01873	2.7
55.05504	3.4
57.03415	2.3
57.07060	1.8
61.02913	1.8
63.89716	0.5
65.03925	0.6
65.07561	0.5
66.35268	0.6
67.01847	0.7
67.05497	6.2
68.18507	0.5
68.99806	0.5
69.03082	0.7
69.03425	11.7
69.07056	4.5
69.88619	0.6
70.64220	1.0
70.64555	0.9
71.05000	2.9
73.02888	2.3
79.05488	5.2
81.03408	11.8
81.07047	15.9
83.04963	2.6
83.08638	3.0
85.02417	1.1
85.02897	13.3
85.06522	2.6
87.04440	0.6
91.05482	5.6
91.72954	0.7
93.07034	10.7
95.04972	3.2
95.08598	20.2
97.02881	55.3
97.06524	3.0
97.10135	1.3
98.03186	1.2
98.21475	0.7
99.04427	3.0
99.08040	1.5
103.05463	2.7
105.03410	0.6
105.07017	10.8
107.04921	1.6
107.08578	16.4
108.08878	0.9
109.02866	12.0
109.06499	4.0
109.10140	12.5
111.04440	1.1
111.08064	3.9
111.11701	0.7
112.64352	0.6
113.05943	0.9
115.03910	1.9
115.05420	0.9
117.06991	1.1
119.04933	1.0
119.08557	10.3
121.02064	0.6
121.02824	2.8
121.06477	1.7
121.10133	10.7
123.04434	1.5
123.08064	2.8
123.11694	4.6
123.67172	0.6
125.05959	1.4
125.09579	1.0
127.03898	18.2
129.07028	0.7
131.04909	6.0
131.08542	3.9
133.02841	0.8
133.04930	1.2
133.06451	0.7
133.10127	8.0
135.08041	2.0
135.11649	4.4
137.02309	0.7
137.05954	2.8
137.09589	1.6
137.13199	1.3
139.07561	0.6
139.11081	0.9
139.85622	0.6
141.07008	0.7
141.09161	0.8
143.08542	1.9
145.04933	2.8
145.06499	1.0
145.10086	4.5
147.04395	1.7
147.07967	1.2
147.11664	15.5
148.12006	0.8
149.05954	1.8
149.09619	1.2
149.13242	2.5
151.03874	0.9
151.07541	3.5
151.11163	0.6
153.01833	5.6
153.05461	0.8
155.07030	0.6
155.08586	0.8
157.10129	1.8
159.08061	0.8
159.11664	2.5
161.05920	1.4
161.09592	1.5
161.13228	7.2
163.11137	1.6
163.14830	3.3
165.01830	1.4
165.09163	1.4
165.12726	2.1
167.07014	2.1
169.09943	0.7
171.11658	1.8
173.09581	1.0
173.13298	2.8
175.07512	0.8
175.11185	1.2
175.14778	3.0
177.09087	1.1
177.16374	1.1
181.08525	0.8
181.12234	1.1
183.02817	0.8
183.11620	0.8
185.13188	1.6
187.05983	6.6
187.14798	1.4
189.12721	2.4
191.07011	0.7
191.14386	1.2
193.12256	5.0
199.14838	1.4
201.16408	0.8
203.10681	1.1
203.17932	45.4
205.12093	1.0
207.10132	0.6
207.13762	3.7
213.05443	1.3
217.08603	1.3
217.12219	1.4
217.15839	1.0
221.15399	0.9
221.18983	5.0
227.12613	0.8
235.13205	1.3
238.45543	0.6
239.17795	1.0
239.20035	12.8
253.14336	1.2
258.05185	0.8
277.21384	0.6
287.05466	100.0
288.05835	6.7
317.24814	1.2
333.16934	0.8
335.25543	1.0
351.17966	1.7
369.19025	3.0
371.14868	0.7
379.17004	0.8
384.15610	0.7
397.18579	0.6
401.25153	1.6
407.93805	0.8
451.28015	0.6
469.29822	1.3
487.30597	3.1
515.30310	1.2
533.18420	1.1
533.25616	2.4
533.37390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35651	0.7
53.03940	10.6
54.30425	0.8
55.01850	3.5
55.05507	2.7
57.03426	5.2
59.04976	1.1
61.02906	3.1
67.01857	1.5
67.05494	7.3
69.03422	15.5
69.07064	5.6
69.69887	1.7
69.70295	3.7
71.01344	1.2
71.04987	4.6
73.02927	5.8
79.05483	6.9
81.03406	24.3
81.07047	23.8
82.32749	0.8
83.04960	2.6
83.08589	2.6
85.02895	22.9
85.06516	2.8
87.04449	1.0
91.03876	0.7
91.05463	7.6
93.07030	13.6
95.04947	3.3
95.08591	20.7
96.06748	0.8
96.15411	0.7
97.02877	29.7
97.06521	2.8
97.10173	1.1
98.21461	1.4
99.04436	8.2
99.08085	2.3
100.66351	0.7
103.03883	1.7
103.05425	1.1
105.07016	14.3
107.04942	1.8
107.07848	1.2
107.08581	20.5
109.02866	59.2
109.06502	3.0
109.10136	12.1
111.04417	1.8
111.08052	2.0
112.74831	0.7
115.03910	6.4
117.07004	1.3
119.04916	1.4
119.08573	11.3
121.02840	2.9
121.06468	3.4
121.10134	14.0
123.04433	1.2
123.08018	2.3
123.11698	11.5
125.05994	1.8
125.09570	1.1
127.03902	43.4
127.07479	1.2
128.04219	1.2
128.06186	0.9
129.05443	1.0
129.06966	1.7
131.04968	1.9
131.08549	8.2
133.04977	5.4
133.06471	2.2
133.10120	9.2
135.04396	0.7
135.08023	2.3
135.11665	5.1
137.05957	5.0
137.09575	2.0
137.13322	0.9
139.03879	2.2
139.07587	0.8
139.11095	1.3
141.05415	0.9
143.08577	2.3
145.04947	8.8
145.10086	5.4
147.04382	1.5
147.07977	1.3
147.11664	15.5
149.05939	1.1
149.09608	2.5
149.13197	2.9
151.03856	0.9
151.07498	1.5
151.11185	2.2
153.01846	4.0
157.10103	2.0
159.07976	1.1
159.11693	3.9
161.05894	1.3
161.09586	2.8
161.13252	9.5
163.05998	2.3
163.07465	1.6
163.11137	2.9
163.14771	3.2
165.01851	1.1
165.12700	1.1
167.07037	2.5
167.10649	1.0
169.05003	4.6
169.10201	0.9
171.11659	3.4
173.09660	0.9
173.13264	8.6
175.07484	1.1
175.11137	1.8
175.14793	4.0
177.12781	1.0
177.16409	1.1
179.10655	1.3
181.04990	1.0
181.12120	0.9
183.02917	1.5
183.11696	1.4
185.13277	1.1
187.06010	10.1
187.07555	1.0
187.11195	1.2
187.14819	2.3
189.12697	2.7
189.16423	1.6
191.10655	1.8
191.14273	3.2
197.13281	1.4
199.14815	0.9
201.12753	1.8
201.16380	1.8
203.17929	90.2
204.18263	1.0
205.15848	0.8
207.13817	1.9
213.05455	1.7
217.12398	1.4
219.13760	3.2
219.17342	1.3
221.18979	37.3
223.05951	0.8
223.17000	1.6
227.12769	1.4
235.13228	1.9
239.19974	1.8
247.08005	4.4
259.08072	1.6
261.18393	0.9
262.21649	1.7
287.05453	100.0
288.05853	5.9
295.10150	1.1
317.21124	1.2
317.24582	1.2
321.10916	1.0
335.22058	1.3
335.25748	2.7
353.23193	2.2
353.26993	1.5
365.23160	1.2
369.19055	1.0
371.14899	1.3
383.24420	5.6
423.28992	1.4
433.27640	1.0
444.73993	0.9
469.29715	3.6
487.30463	9.4
515.29285	1.5
533.18549	2.5
533.30963	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	533.1285
Annotation	Kaempferol 3-(3'',4''-diacetylglucoside)
Peak:m/z	Relative Intensity
53.03933	1.4
53.96492	0.2
55.01860	0.9
55.05496	1.1
57.03423	0.8
57.07067	0.4
61.02919	0.3
66.81916	0.3
67.01854	0.7
67.05498	1.5
68.84318	0.2
68.99791	0.6
69.03419	5.6
69.07056	1.5
71.04972	1.4
72.10176	0.2
73.02911	0.4
79.05486	1.6
81.03407	8.5
81.07047	4.1
82.13981	0.2
83.04973	0.9
83.08607	0.7
85.02892	4.9
85.06527	0.8
87.04488	0.3
91.05456	1.4
93.07025	3.1
95.04957	1.6
95.08591	4.0
97.02878	47.4
97.06511	0.7
97.10145	0.4
98.03186	0.2
98.21442	0.5
99.04436	2.4
99.08081	0.6
103.05434	0.3
105.03398	0.4
105.07011	3.1
107.04951	0.7
107.08575	4.3
109.02872	7.4
109.06522	1.2
109.10151	2.5
111.00785	0.9
111.04400	0.7
111.08070	1.0
115.03912	0.4
117.06997	0.6
119.04974	0.3
119.08558	2.9
121.02854	2.8
121.06510	1.1
121.10107	1.8
123.04460	0.3
123.08032	0.6
123.11691	1.0
125.05958	0.4
125.09601	0.5
127.03901	12.2
127.07536	0.3
128.06271	0.3
129.07019	0.4
131.04927	1.1
131.08565	1.8
133.02831	0.6
133.06490	0.3
133.10109	2.4
135.07056	0.2
135.08052	0.8
135.11702	1.1
137.02339	0.6
137.05968	1.0
137.09593	0.4
137.13176	0.3
139.03882	0.4
139.07532	0.3
139.11147	0.3
143.08534	0.6
145.04916	1.2
145.06439	0.7
145.10072	1.7
147.04398	0.8
147.07985	0.6
147.11662	2.8
149.05954	0.6
149.09607	0.7
149.13251	0.7
151.03854	0.3
151.07526	0.6
151.11209	0.3
153.01801	4.8
155.08586	0.3
157.06502	0.7
157.10118	0.8
159.11697	0.9
161.05965	0.6
161.09587	0.6
161.13252	1.7
163.03853	0.3
163.07541	0.4
163.11108	1.1
163.14793	0.9
165.01788	1.6
165.09071	0.4
165.12692	0.7
167.07039	0.9
167.10678	0.3
169.04921	0.6
169.06352	0.3
169.10120	0.3
171.11722	0.9
173.13257	1.4
175.07480	0.3
175.11176	0.3
175.14772	0.9
179.14326	0.3
183.02887	0.9
183.11682	0.3
185.05983	0.3
185.13220	0.7
187.05997	5.0
187.07631	0.3
187.11157	0.5
187.14757	0.5
189.05469	0.3
189.09103	0.3
189.12698	0.8
189.16293	0.3
191.14323	1.1
193.12251	0.6
197.13263	0.3
199.14839	0.3
201.12729	0.5
201.16396	0.4
203.17938	5.0
207.13782	0.9
213.05391	1.4
215.14220	0.3
217.08699	0.3
217.12282	0.6
219.13753	0.5
219.17427	0.3
221.18951	1.2
229.06966	0.5
231.06468	0.7
235.13248	0.6
235.16815	0.3
239.20013	1.5
241.04909	0.9
247.07964	0.3
249.14940	0.3
253.14233	0.3
258.05176	1.3
259.06030	0.6
269.04407	0.3
287.05457	100.0
288.05814	1.9
317.21280	0.3
317.24771	0.6
319.09857	0.3
335.25732	1.1
353.26898	0.3
369.18982	0.9
371.22443	0.3
451.28387	0.5
457.29611	0.3
468.74994	0.2
469.29416	0.7
487.30518	1.8
515.29663	0.5
515.36676	0.3
533.18011	0.6
533.31061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1284
Annotation	Bidenoside A
Peak:m/z	Relative Intensity
51.02362	0.5
53.03702	0.6
53.03938	8.8
55.01854	1.7
55.05500	2.6
57.03437	3.1
57.07054	0.8
59.04981	0.8
61.02913	2.2
65.03948	0.5
67.01841	1.5
67.05506	4.0
68.99796	0.8
69.03066	0.8
69.03420	11.0
69.07053	3.7
71.01363	0.7
71.04983	3.7
71.63188	0.7
73.02896	3.4
75.04461	0.4
79.05479	4.0
81.03407	19.6
81.07052	11.9
82.03767	0.4
83.01332	0.8
83.04969	1.1
83.08589	1.5
85.02892	13.8
85.06541	1.5
86.00321	0.5
87.04459	0.8
91.05467	4.9
93.07033	8.4
95.04945	2.1
95.08591	9.4
97.02881	24.7
97.06524	1.8
97.10152	0.8
99.04446	7.1
99.08074	1.3
103.03918	1.0
103.05428	1.1
105.07021	8.9
107.04936	0.6
107.08582	9.9
107.77072	0.4
109.02867	57.0
109.06478	1.9
109.10136	6.2
111.00769	0.5
111.04414	1.0
111.08049	1.6
113.06023	0.6
115.03905	2.3
115.05496	0.7
117.07001	2.0
119.04907	0.5
119.08562	8.2
121.02852	3.4
121.06528	3.2
121.10136	6.8
122.10513	0.5
123.04420	0.5
123.08014	0.9
123.11702	6.4
125.05965	0.9
125.09631	0.8
127.03905	37.3
127.07494	0.6
129.06979	1.0
129.09125	0.6
131.04933	1.0
131.08546	9.9
133.04927	2.4
133.06476	1.3
133.10100	6.5
135.08054	2.0
135.11659	2.4
137.02295	1.0
137.05962	4.5
137.09589	1.5
137.13319	0.6
139.03845	2.4
139.11168	0.7
142.07748	0.6
143.08542	2.1
145.04939	4.1
145.06374	0.7
145.10101	4.6
147.04387	1.9
147.08038	1.5
147.11659	7.1
149.05925	1.4
149.09615	1.6
149.13235	1.5
151.03894	0.7
151.07506	1.1
151.11177	0.9
153.01816	4.7
155.08543	0.8
155.10596	0.6
156.09343	0.9
157.06540	0.5
157.10129	1.9
159.08058	1.2
159.11700	2.9
160.05162	0.5
161.06020	1.0
161.09631	2.4
161.13235	5.4
163.06064	1.0
163.07497	1.2
163.11172	2.1
163.14842	3.4
165.01822	1.9
165.05495	0.5
165.12770	1.1
167.07030	1.7
169.04961	4.5
169.10066	1.1
171.11676	4.2
173.09671	0.9
173.13258	11.1
175.07512	1.1
175.11229	0.9
175.14818	2.1
177.12750	1.0
177.16336	0.9
179.07025	0.5
183.02817	0.9
183.10201	0.4
183.11720	1.2
185.06018	0.6
185.13257	1.5
187.06000	10.2
187.07584	0.7
187.14804	1.4
189.12735	2.9
189.16345	0.8
191.06982	0.7
191.10588	0.5
191.14293	7.0
197.13272	0.9
199.11192	1.0
199.14844	0.9
201.12723	1.8
201.16393	0.9
203.07021	0.7
203.10521	0.7
203.14220	1.4
203.17929	31.1
207.13794	1.5
211.11165	0.5
211.14781	0.6
213.05475	0.9
213.12682	1.0
213.16386	0.8
215.14330	1.2
217.12311	3.0
219.13794	3.8
221.15491	0.7
221.18967	11.5
231.06529	0.8
233.15335	0.8
235.13286	1.1
239.19885	1.0
247.08098	3.9
254.53169	0.6
258.05231	0.6
259.08029	0.6
287.05466	100.0
288.05667	2.2
299.20114	0.6
317.24768	0.5
335.21957	0.5
335.25845	0.9
339.12274	0.7
353.27112	0.6
369.18475	0.6
371.15063	0.6
383.23987	1.4
387.25290	0.5
403.24695	1.1
433.27197	0.5
451.28284	1.4
469.29425	3.4
472.02176	0.5
487.30496	14.4
515.29669	1.1
533.17963	1.8
533.31116	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	533.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01859	2.1
55.05499	2.0
57.03425	1.4
57.07059	0.6
59.04985	0.4
61.02906	0.5
65.03943	0.4
67.05216	0.4
67.05499	3.8
69.03421	8.8
69.07053	3.3
71.04985	4.7
71.07289	1.1
71.08620	0.4
73.02891	1.1
79.05479	3.5
81.03408	15.8
81.07047	8.5
83.01314	0.7
83.04957	1.6
83.08612	1.1
85.02895	8.7
85.06517	2.0
85.07674	0.4
91.05460	3.3
93.07033	6.9
95.04963	2.2
95.08590	7.4
97.02882	6.3
97.06506	1.9
97.10155	0.7
99.04443	17.3
99.08026	0.9
101.06004	0.6
103.03927	2.8
103.05439	0.5
105.07018	5.8
107.04921	1.1
107.08577	6.4
109.02866	25.2
109.06499	1.9
109.10152	5.6
111.04417	0.6
111.08060	1.9
113.05962	0.4
115.03912	0.8
115.05467	0.4
117.06989	0.8
119.04958	0.7
119.08559	5.0
120.08921	0.4
121.02806	0.6
121.06508	2.1
121.10122	5.0
123.04432	1.0
123.08018	1.2
123.11693	2.8
125.05970	1.1
125.09559	0.5
127.03900	100.0
127.11167	0.5
128.04237	1.3
129.06984	0.6
131.04936	0.6
131.08568	2.6
133.04962	0.5
133.06447	0.6
133.10098	4.2
135.08041	1.2
135.11679	2.2
137.05959	3.4
137.09625	1.2
137.13274	1.2
139.03838	1.0
139.07581	0.5
143.08545	1.0
145.04930	7.0
145.06253	0.5
145.06430	0.4
145.10117	3.2
147.04393	5.2
147.08023	1.1
147.11665	5.7
149.05928	0.8
149.09592	1.3
149.13266	0.9
151.07552	1.3
153.01846	1.3
153.12756	0.6
157.10120	1.0
158.07423	0.5
159.08041	0.5
159.11630	2.3
161.05960	1.4
161.09634	1.1
161.13222	2.5
163.07513	0.6
163.11185	1.7
163.14850	1.1
165.09076	0.8
165.12769	1.1
167.07051	1.5
167.10747	0.6
169.04956	6.6
169.10074	0.8
169.12181	0.4
171.11673	1.3
173.09612	1.0
173.13226	2.0
175.07599	1.0
175.11183	1.2
175.14827	1.3
177.16423	0.5
179.07043	0.4
179.10667	0.8
181.12183	0.6
185.09602	0.5
185.13290	0.6
187.05992	20.8
187.11249	0.5
187.14787	0.9
189.09093	0.8
189.12758	1.3
189.16441	0.8
191.10614	1.0
191.14323	1.7
195.13646	0.4
197.13324	0.5
199.14825	0.8
201.12749	0.9
203.10635	0.4
203.14278	0.8
203.17944	9.2
207.13773	1.3
209.11678	0.5
212.04675	0.4
217.12180	1.2
217.16019	0.5
219.13792	0.5
221.18990	1.6
229.07045	31.5
235.13231	1.0
239.20070	1.0
247.08083	4.6
287.05466	10.6
297.27435	0.4
310.38287	0.4
317.20984	0.6
317.24695	0.7
335.22278	0.5
335.25870	1.2
371.14969	0.9
397.92398	0.4
487.30389	1.6
533.18018	0.5
533.31250	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	532.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.2
55.05497	0.9
57.03422	0.7
61.31675	0.2
67.05500	3.0
69.03444	0.9
69.07047	0.8
70.43974	0.8
73.02905	1.1
79.05480	0.8
81.06568	0.5
81.07046	7.4
83.08617	0.9
85.02892	2.3
87.11148	0.2
91.05450	1.1
93.07030	2.0
95.04970	0.3
95.08597	18.5
96.68384	0.2
97.02888	1.2
98.20787	0.2
99.04426	0.3
99.36423	0.2
105.07018	5.5
107.08583	2.1
109.10143	7.7
115.03915	0.7
119.08565	5.6
121.09305	0.3
121.10136	3.8
123.10801	0.4
123.11686	5.4
127.03899	0.6
131.08572	0.4
133.04987	1.1
133.10104	3.5
135.11659	0.9
137.17665	0.2
143.68173	0.2
145.04945	1.0
145.10068	0.7
147.11673	10.7
150.07576	0.4
159.11667	0.3
160.12456	1.0
161.13232	1.9
163.06003	0.5
173.13249	0.5
175.14810	0.5
188.15593	0.6
203.17931	100.0
204.18263	1.7
223.05931	0.3
241.07004	0.5
259.08057	0.6
295.10181	0.4
298.81210	0.2
349.58026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3674
Annotation	Holstinone A
Peak:m/z	Relative Intensity
53.03934	3.4
55.01855	3.4
55.05259	1.7
55.05505	26.8
55.98762	1.1
57.07058	2.8
60.80114	1.4
65.03926	2.8
67.05495	56.9
67.93022	1.2
69.03422	1.5
69.07054	21.2
71.01340	1.3
71.04984	4.5
78.50427	1.2
79.05481	44.3
81.03400	3.6
81.07049	52.1
83.04961	6.7
83.08607	12.7
85.06526	4.1
91.05467	37.8
93.07027	48.9
95.04954	6.1
95.08590	34.9
97.06521	6.4
97.10152	9.9
98.20721	2.6
99.08136	1.9
103.05446	1.4
105.07017	42.5
107.04895	1.2
107.08578	35.1
109.06523	4.6
109.10122	20.2
111.08096	3.1
115.05474	2.1
117.07005	15.6
119.08562	40.0
121.10116	21.7
123.08053	3.5
123.11698	5.1
125.09611	5.9
128.06184	3.1
129.05518	1.9
129.06993	13.3
130.07793	2.0
131.08554	31.7
133.06494	1.5
133.10115	29.6
135.08017	2.5
135.11676	26.2
137.09595	2.8
141.06979	3.9
142.07784	2.4
143.08530	17.9
145.06467	1.4
145.10097	37.9
147.08028	2.9
147.11659	28.6
149.09613	2.3
149.13226	7.5
151.11156	3.7
153.09087	1.6
155.08519	8.2
156.09344	2.1
157.10109	24.5
159.08072	1.6
159.11674	29.6
161.09618	1.9
161.13243	16.3
163.11148	3.5
163.14824	2.8
165.12773	1.4
169.10107	11.8
171.11662	21.2
173.09700	2.4
173.13231	22.7
175.11180	3.6
175.14771	7.2
179.08539	1.6
181.10107	3.9
181.12247	4.0
183.11673	11.1
185.13235	18.2
187.11154	1.8
187.14807	9.2
189.12761	1.5
189.16411	1.4
192.53966	1.3
193.10010	1.5
195.11705	5.6
197.13208	10.7
199.13271	1.9
199.14801	10.2
201.16357	4.4
207.11606	1.5
209.13271	5.4
211.14803	6.3
213.16382	6.0
221.13232	1.5
223.14871	4.5
225.16411	3.2
227.18024	1.9
231.21071	3.7
235.14882	1.8
237.16331	2.1
239.18010	1.9
241.19470	15.1
243.21196	2.3
253.14287	6.8
255.15863	25.0
259.20517	28.9
261.18402	1.5
261.22195	6.9
263.17917	1.7
267.21066	1.8
271.20642	1.9
275.20151	2.5
283.20612	2.8
285.21988	3.1
287.23776	2.9
295.20557	1.9
297.22134	4.0
299.23587	2.4
309.22104	2.6
311.23502	2.0
313.21701	2.1
315.23196	3.1
327.23141	2.4
329.24875	2.4
333.24298	11.0
341.24576	1.4
393.31631	4.1
403.29718	4.2
405.56616	1.4
409.31088	5.0
411.32480	7.0
421.30978	18.9
427.32150	1.6
429.33832	4.0
433.30014	1.7
439.31891	15.5
457.33115	16.1
475.34167	1.5
483.34613	2.1
485.36285	8.3
495.34610	9.2
501.35471	6.5
503.37253	33.0
513.35706	100.0
514.36377	1.9
531.36780	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29293	1.3
53.03929	5.1
55.01856	5.5
55.05502	22.7
57.03432	7.3
57.07056	4.9
58.34849	1.4
59.06117	10.8
62.71326	1.2
65.03924	4.5
67.05495	97.9
68.05820	3.4
69.03412	4.3
69.07063	26.9
69.98149	7.6
71.04980	7.9
71.08603	2.7
72.16512	1.3
73.02902	1.8
74.25992	1.5
79.05482	66.1
80.05817	2.7
81.03410	7.9
81.07044	95.4
82.07378	4.2
83.04967	9.7
83.08598	9.8
85.02879	4.1
85.06527	7.6
87.04419	1.7
91.05467	64.1
92.05791	2.7
93.07031	68.2
94.07368	1.3
95.04965	12.6
95.08590	37.6
97.06525	6.8
97.10165	6.0
99.04453	2.6
99.08084	2.9
102.36948	1.4
105.07014	52.6
106.07335	1.7
107.04867	1.5
107.07852	2.5
107.08583	57.1
109.06505	6.0
109.10142	75.0
110.10445	2.5
111.08041	4.6
113.06021	3.3
117.06970	9.2
119.08562	20.9
121.06483	1.7
121.10125	20.7
121.10908	2.2
123.08033	1.7
123.11681	15.4
125.09613	5.5
129.06999	2.5
131.08557	13.1
132.08905	2.2
133.10112	81.9
134.10425	2.0
135.11678	17.2
137.09543	2.0
137.13327	1.4
143.08543	3.9
145.10107	11.8
147.11696	9.5
149.09570	1.5
149.13226	10.6
150.13654	1.9
151.11162	35.6
157.10098	3.6
159.11667	8.2
161.13252	6.3
163.11180	3.4
163.14816	3.3
169.10107	1.3
169.12189	9.4
171.11633	2.1
173.11757	2.1
173.13234	5.0
175.11200	2.1
177.16339	2.1
179.10602	1.4
179.14262	5.9
185.13254	2.7
187.14902	2.1
191.10574	1.7
193.12241	4.0
195.13838	2.0
196.14162	1.6
211.13263	4.5
213.16336	1.8
215.12810	4.7
229.14325	5.6
230.14671	3.7
243.21115	4.7
253.14319	80.1
254.14589	1.6
261.22134	19.0
269.17493	5.6
270.17822	5.2
271.15466	2.0
277.21640	4.0
301.16599	1.6
317.24823	5.4
412.27515	1.8
424.27719	3.3
439.31946	3.0
457.33096	3.7
496.29712	1.8
513.35590	13.5
514.30402	2.6
527.44904	1.8
531.36731	100.0
532.37067	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	531.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01861	0.9
55.05491	2.1
55.83991	0.6
57.03413	1.0
58.96878	0.5
66.30279	0.5
67.05498	1.2
69.03413	3.5
69.07053	1.5
70.38596	1.3
70.39001	0.9
71.04971	1.5
79.05472	2.2
81.03408	2.8
81.07030	3.4
83.04967	6.0
83.08606	0.6
85.02863	2.3
85.06520	1.1
91.05457	2.3
93.07037	3.3
94.69535	0.5
95.04945	2.2
95.08575	1.7
97.02876	1.8
97.06507	2.3
98.20855	0.5
99.04445	2.0
101.06000	2.9
105.07008	6.3
107.04953	1.2
107.08575	2.9
107.09197	0.5
109.02860	2.3
109.06499	1.6
109.10153	1.0
111.04426	0.8
111.08096	0.5
117.05457	1.0
117.06984	0.9
119.04914	0.8
119.08565	1.6
121.06463	3.3
121.10120	1.4
123.08005	0.6
125.05957	1.7
127.03875	3.8
127.07508	0.5
129.05444	0.9
129.06952	0.6
131.08536	2.0
133.06453	1.0
133.10121	1.9
135.04343	1.0
135.07977	1.3
135.11650	1.0
137.05916	3.3
143.07018	0.6
143.08539	1.0
145.04922	0.6
145.06477	1.1
145.10104	6.0
147.06505	1.0
147.07988	0.7
147.11676	1.0
149.09628	1.2
158.07260	0.8
159.07997	0.8
159.11710	2.8
161.05952	0.6
161.09557	0.8
163.07452	0.8
163.11137	5.8
165.09099	0.6
167.06995	0.9
169.10085	1.0
171.08022	0.7
173.09641	3.5
181.04848	0.5
183.08023	0.5
187.06044	0.7
187.11162	3.9
191.07001	0.6
191.10583	2.4
197.09584	0.7
205.12187	2.9
207.13785	1.3
207.24788	0.5
215.10609	4.8
233.11642	5.0
251.12724	1.9
277.08643	0.7
303.10577	1.7
321.10330	0.6
349.16183	0.7
359.14392	0.6
369.13553	0.9
377.15793	2.1
395.16840	3.9
427.56448	0.5
469.23965	13.4
470.24585	0.7
471.21948	2.3
477.20911	0.7
495.22226	1.3
513.23126	2.2
531.24048	100.0
532.24524	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.2
53.03937	2.6
55.01866	3.6
55.05503	16.2
57.03436	7.9
57.07057	3.2
59.04997	2.0
59.07837	1.0
64.02623	1.0
65.03931	2.3
67.05499	74.7
68.05812	1.2
69.03426	1.8
69.07062	18.0
69.33812	4.6
69.34237	6.8
71.04987	25.3
71.08623	3.2
73.02900	1.8
73.06526	1.1
79.05484	34.3
80.05817	1.5
81.03407	6.8
81.07048	100.0
82.07384	1.9
83.04992	5.3
83.08610	12.8
85.02888	2.5
85.06538	8.2
85.10159	1.6
87.04464	1.6
89.06026	4.6
91.05473	32.4
92.05819	1.4
93.07034	46.7
94.07378	1.5
95.04973	5.7
95.08596	19.7
97.02893	1.3
97.06527	11.1
97.10157	4.9
99.08080	3.0
105.07021	13.6
106.07336	1.2
107.04936	1.3
107.07858	1.4
107.08584	27.4
109.06517	4.4
109.10152	12.9
111.08077	6.2
115.05380	1.2
117.07008	7.6
119.08569	5.6
119.70613	1.0
120.08888	2.1
121.06468	1.6
121.10127	15.0
123.11689	12.0
125.09630	3.8
125.72219	1.2
129.05470	1.2
129.06976	1.2
131.08565	10.7
133.08594	2.3
133.10115	20.4
134.10504	1.3
135.08072	1.8
135.11707	11.5
137.09622	1.7
137.29619	1.1
137.81332	1.0
137.84084	1.0
139.11162	1.5
145.10121	3.4
147.11610	1.9
149.09598	1.8
149.13242	20.6
151.11150	6.5
159.11676	13.6
161.13277	1.7
163.11110	2.9
165.16377	1.0
171.11603	1.9
173.11722	2.7
177.11327	1.3
177.12692	5.3
183.13788	2.1
187.13359	2.8
187.14859	1.5
195.13763	11.3
198.13834	1.1
199.13344	1.8
209.11682	1.3
213.14755	2.1
229.14272	6.5
257.17334	2.0
267.15686	1.4
269.17422	42.8
275.19989	1.8
276.20374	2.1
301.16693	2.0
301.20053	17.1
393.26187	1.3
423.26923	1.6
437.28967	65.4
451.30566	12.1
463.30496	63.0
470.11084	1.3
495.26486	2.1
495.33243	37.5
513.30298	1.5
530.34198	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	530.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.01860	5.2
55.05503	34.9
57.03421	17.6
57.07067	4.4
59.04982	3.9
65.03927	3.6
67.05498	100.0
67.83156	1.9
69.07053	20.0
71.04977	6.3
73.02921	4.3
79.05051	3.5
79.05482	48.6
80.05816	2.9
81.03410	16.1
81.07047	97.2
81.54179	1.8
82.07361	3.0
83.04975	11.4
83.08131	2.3
83.08609	30.0
85.02908	11.9
85.06520	6.6
87.04443	5.8
91.05479	36.4
92.05778	1.9
93.07031	54.4
95.04946	9.9
95.08603	31.2
96.08926	2.7
97.06524	12.5
97.10160	10.4
99.08080	2.4
105.07018	15.8
107.04920	4.7
107.08575	39.3
109.06467	4.4
109.10139	46.6
111.04449	2.3
111.08069	7.5
113.05963	2.2
117.07001	10.9
119.08571	13.8
121.06552	3.2
121.10124	12.2
123.08040	3.1
123.11694	3.9
125.09630	18.7
129.05449	6.1
129.06984	3.0
131.08557	11.8
133.10115	20.8
135.08060	2.4
135.11690	14.2
137.09576	3.5
143.08586	2.8
143.10672	4.6
145.10124	6.2
146.10367	2.5
147.11650	7.1
149.09619	2.8
149.13240	16.0
151.11192	3.6
153.12767	3.0
155.10579	2.2
157.10138	2.5
159.11658	10.5
163.11174	7.9
173.11699	15.8
177.12692	6.6
181.12155	2.9
191.10510	2.6
193.12234	3.6
195.13773	21.4
199.13287	9.1
205.62460	2.2
209.11691	8.0
213.14879	3.2
227.12794	5.9
229.14326	47.3
267.15848	5.3
269.17435	76.1
270.17798	2.9
283.15320	6.2
301.16357	19.7
393.26175	2.2
411.27271	6.3
423.27252	25.9
495.29471	25.6
513.30493	23.2
530.38525	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.1
53.26992	0.8
55.01861	2.0
55.05505	12.7
57.03428	10.3
57.07061	0.9
60.26073	0.9
65.03927	1.2
67.05495	25.9
69.03409	3.7
69.07059	11.4
70.02379	0.9
70.57784	1.9
70.58181	1.5
71.04985	4.8
78.33663	0.9
79.05481	20.1
81.02921	1.2
81.03407	39.8
81.07047	53.3
83.04546	0.8
83.04977	9.8
83.08610	18.8
85.02885	12.7
85.06508	3.8
87.04443	0.9
91.05471	29.5
93.07032	16.2
95.04964	15.3
95.08593	16.3
97.02853	2.2
97.06521	5.9
97.10149	3.4
99.08096	2.7
101.05992	1.3
101.75858	0.9
105.07018	28.5
105.07737	1.5
107.04918	3.9
107.08583	10.3
109.06499	6.4
109.10145	3.9
111.04429	1.9
111.08067	6.1
113.05967	2.2
115.05415	1.0
117.06985	1.7
119.08568	24.7
121.10121	15.7
123.08034	3.3
123.11687	17.0
125.09666	1.5
127.07504	1.6
129.06996	6.9
131.08542	8.0
133.06442	2.2
133.10083	8.8
134.10405	0.9
137.09586	1.7
142.07767	1.5
145.10127	1.7
147.08026	2.2
147.11665	40.9
149.09578	4.8
157.10130	9.3
165.12744	17.9
175.11171	10.2
183.13776	1.2
188.78917	0.9
193.12228	29.8
211.13254	46.2
229.14223	4.6
267.15891	55.8
269.17383	1.0
285.16925	100.0
315.15833	1.1
348.82880	1.1
459.27203	4.0
477.28458	13.9
495.29456	56.4
510.32126	0.9
530.35999	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	530.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.01850	2.8
55.05505	15.9
57.03429	12.9
64.47012	0.9
65.03918	1.7
66.04472	1.0
67.05493	27.0
69.03428	4.7
69.07056	9.2
71.04981	4.9
79.05052	1.7
79.05480	24.7
81.03406	70.7
81.07047	32.7
83.04965	19.0
83.08603	25.5
85.02421	2.0
85.02894	25.1
85.06541	1.2
86.36311	1.0
88.06799	1.1
91.05470	33.7
93.07028	16.6
95.04950	29.7
95.08596	13.2
97.02874	3.4
97.06499	4.1
97.10151	3.8
98.55672	0.9
99.08054	1.9
105.07014	23.4
107.04948	8.1
107.08575	10.4
109.06490	7.0
109.10129	3.7
111.04407	3.0
111.08050	12.7
113.05984	3.3
115.05453	1.2
117.07001	2.7
119.08559	20.3
121.06449	2.5
121.10135	9.4
123.08069	2.7
123.11731	5.0
125.09609	1.8
129.06975	10.6
131.08562	11.6
131.79684	1.1
133.06477	3.3
133.10130	13.1
137.09612	2.4
142.07747	2.0
145.10120	2.2
147.08002	4.2
147.11673	24.0
149.09613	8.4
151.11121	1.0
157.10115	17.0
165.12727	6.3
175.11160	17.7
193.12221	47.0
204.15457	1.2
211.13263	92.7
214.32164	1.2
229.14201	1.1
259.20517	1.2
267.13016	1.5
267.15878	31.0
285.16916	100.0
367.22684	1.2
385.23550	2.8
455.09418	1.0
459.27356	13.3
477.28458	19.0
495.29477	71.3
503.55844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
55.05502	16.3
56.45722	0.7
57.03429	15.4
65.03912	0.9
67.05495	23.4
69.03412	5.0
69.07058	7.0
70.14944	1.6
70.15355	1.5
71.04974	4.2
75.49973	0.6
79.05480	26.2
81.03407	68.5
81.07043	31.4
83.04967	18.1
83.08607	24.3
83.69225	0.6
85.02894	26.2
85.06519	1.9
91.05466	38.1
93.06454	1.2
93.07026	18.7
95.04955	29.0
95.08588	10.8
97.02872	3.6
97.06515	4.7
97.10159	4.3
99.08083	2.0
103.05414	0.9
105.07011	24.5
107.04400	0.7
107.04953	7.2
107.08588	8.1
109.06498	5.7
109.10138	3.4
111.04418	2.9
111.08064	11.5
113.05981	3.1
113.08488	0.6
115.05442	1.1
117.06995	1.7
119.08561	22.2
121.06494	1.6
121.10133	11.5
123.08053	2.9
123.11678	2.3
125.09603	1.8
129.06992	12.9
131.08548	11.7
133.06473	3.4
133.10114	15.6
135.08060	0.9
135.11703	0.8
137.05887	0.6
137.09616	1.7
141.58842	0.6
142.07729	3.2
145.10074	2.8
147.08028	3.5
147.11665	19.3
149.09593	8.0
151.11191	0.8
157.10109	18.2
159.11703	0.6
163.11169	1.8
165.12772	3.3
175.11165	19.3
193.12218	61.9
194.12532	0.9
211.13258	100.0
212.13638	0.7
249.14850	1.4
267.15884	27.9
285.16919	95.9
286.17307	0.8
350.23953	1.2
367.22516	1.4
385.23679	3.2
403.24783	0.9
459.27322	9.8
477.28394	12.6
495.29477	38.4
496.29752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
55.05500	11.8
57.03432	8.3
57.06967	1.1
65.03916	1.3
67.05491	29.1
69.03413	1.8
69.06721	1.3
69.07059	13.6
71.04966	3.8
71.61934	1.4
77.40494	1.0
79.05483	20.1
81.03388	5.2
81.07043	65.7
83.04977	6.4
83.08614	9.0
85.02866	1.2
85.06510	4.9
87.04446	1.3
91.05463	19.7
93.07028	17.0
95.04935	3.8
95.08035	1.5
95.08591	17.0
97.06508	5.7
97.10174	2.5
99.08064	2.2
101.06022	1.8
105.07023	27.9
107.08578	14.4
109.06495	5.0
109.10104	4.5
111.08051	3.1
115.05455	1.6
117.06962	3.7
119.07782	1.9
119.08566	25.3
121.06402	1.1
121.10125	17.3
123.08038	4.7
123.11688	21.8
125.09577	1.8
127.07516	2.3
129.06934	2.0
131.08528	4.8
133.10103	4.6
135.11650	3.3
137.09552	1.5
137.13243	1.7
143.08615	1.4
145.10039	4.2
147.10492	2.5
147.11661	51.1
148.12003	1.3
149.13177	2.8
157.10037	3.5
159.11649	2.3
163.11143	3.1
165.12721	24.0
173.11731	1.3
174.04958	1.1
175.11156	3.0
183.13867	2.2
189.11316	1.2
193.12183	2.7
195.13675	2.2
211.13295	1.8
227.12665	1.7
229.14348	8.7
267.15891	57.9
269.17340	6.7
283.15320	8.1
285.16925	100.0
286.17349	1.4
301.16403	1.9
459.27563	1.5
477.28442	19.3
484.80173	1.1
495.29440	51.7
500.00955	1.2
530.35626	7.8
541.56659	1.1
543.38739	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	529.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
53.03943	2.7
55.01857	1.7
55.05502	13.0
57.03430	4.2
57.07055	2.0
65.03928	1.7
67.05494	44.1
69.03429	0.9
69.07056	14.3
69.68245	3.3
71.04988	2.7
77.03909	0.7
79.05479	35.1
81.03400	2.6
81.07044	47.9
83.04967	3.8
83.08610	7.5
84.38347	0.5
85.06532	2.1
91.05466	19.8
93.07030	45.0
95.04954	5.6
95.08591	23.9
95.09220	0.5
97.06510	4.8
97.10150	2.0
98.20764	0.5
99.08075	1.7
105.04507	0.9
105.07017	13.8
107.08578	23.2
109.06508	1.3
109.10137	6.6
111.08051	3.2
111.99265	0.5
113.09615	0.4
115.05461	0.9
115.13985	0.4
116.06202	0.5
117.07001	6.5
119.08564	9.5
121.06520	0.7
121.10124	20.3
123.08044	0.8
123.11700	2.1
125.09572	0.6
129.06990	1.8
130.07779	0.6
131.08546	11.4
133.10107	7.8
133.11067	0.7
135.08025	1.2
135.11676	10.1
137.09564	0.6
139.11215	1.2
141.07022	0.4
143.08513	2.2
145.10110	6.5
147.11655	4.3
149.09625	0.6
149.13234	18.6
151.11188	0.8
155.08522	1.0
157.10066	2.2
159.11676	11.1
161.13239	2.4
163.14891	1.0
167.08560	0.6
167.14346	0.5
169.10155	1.2
171.11684	1.9
173.13231	3.7
175.14807	1.0
177.12708	3.4
181.10162	0.6
183.11728	1.6
185.13300	1.9
187.14795	2.2
191.14412	0.5
193.12224	0.5
195.12056	0.7
195.13774	4.8
197.13268	0.9
199.14839	1.0
201.16414	1.0
209.13126	0.4
211.14876	0.5
213.14781	0.9
243.21059	0.9
257.19019	0.5
261.22144	3.7
272.26047	0.4
275.20169	0.5
299.24023	0.6
317.24637	1.0
437.34201	3.7
455.35162	1.6
473.36255	0.6
493.36230	0.5
511.37708	1.8
529.38824	100.0
530.39166	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01850	0.8
55.05502	10.9
57.03424	2.1
57.07051	1.4
65.03925	1.8
67.05493	34.4
69.03413	0.5
69.07054	11.6
69.38722	0.9
69.39130	3.8
71.04993	2.4
73.06506	0.4
79.05481	22.3
81.03403	2.1
81.07041	38.2
81.85133	0.4
83.04967	1.8
83.08602	6.5
85.06523	1.7
91.04888	0.7
91.05463	18.4
93.07025	30.9
95.04955	4.2
95.08588	19.1
97.06509	3.1
97.10151	1.8
99.08086	0.8
105.04497	0.5
105.07013	14.4
107.08569	15.5
109.06487	0.8
109.10144	7.8
111.08076	2.4
115.05406	1.1
117.06988	6.8
119.08556	9.3
121.06468	0.6
121.10118	11.9
123.08070	0.8
123.11711	3.1
125.09659	0.5
128.06104	0.5
129.06978	2.9
131.08545	12.5
133.10107	9.8
133.11066	0.7
135.08009	1.0
135.11664	7.5
137.09566	0.6
137.13243	0.6
139.11183	0.7
141.06969	0.8
142.07809	0.5
143.08543	3.8
145.10100	8.6
147.11642	4.8
149.13232	8.7
151.11163	0.7
155.08549	1.6
157.10103	3.9
159.11649	8.3
161.13243	3.2
163.14795	0.5
167.08557	0.6
169.10130	1.4
171.11603	3.5
173.13213	4.1
175.14807	1.2
177.12733	1.5
181.10022	1.0
183.11656	1.2
185.13246	2.9
187.14790	2.1
193.12256	0.5
195.11858	0.9
195.13765	6.3
197.13219	1.4
199.14803	1.7
201.16316	0.8
209.13191	0.6
211.14746	0.7
213.14725	0.8
223.14803	0.4
225.16327	0.4
239.18024	0.5
243.21088	1.0
257.18741	0.5
259.20477	0.5
261.22122	2.9
271.20514	0.8
275.19635	0.5
279.21054	0.4
285.22052	0.4
317.24738	0.6
339.27194	0.4
381.27939	0.5
417.29868	0.5
419.33163	1.4
437.34109	6.4
455.35388	2.3
459.31470	0.5
473.36584	1.1
493.36340	0.7
511.37958	3.8
521.08167	0.4
529.38806	100.0
530.39142	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	529.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31361	0.3
52.55082	0.3
55.01852	0.4
55.05504	1.3
57.03420	0.4
57.07070	0.3
59.04981	0.4
62.98059	0.2
67.05495	1.4
69.03417	1.0
69.07058	3.6
70.07381	0.7
70.94467	0.8
71.04977	0.7
71.08603	0.3
71.18394	0.2
73.02902	0.5
79.05484	1.4
81.03398	0.8
81.06712	0.2
81.07049	2.2
82.08072	0.2
83.04961	0.6
83.08588	0.7
83.14145	0.2
85.02888	1.2
85.06525	0.9
91.05459	1.2
93.07033	2.6
95.04955	1.1
95.08593	1.3
97.02901	0.7
97.06530	1.1
97.10135	0.6
99.04446	0.4
99.08076	0.4
103.05467	0.3
105.03405	0.3
105.07008	1.5
107.04942	0.3
107.07956	0.2
107.08552	1.5
109.06509	1.1
109.10130	1.6
111.04439	0.3
111.08069	0.4
111.11705	3.5
112.12029	1.5
117.07010	0.5
119.08575	1.5
121.06477	0.6
121.10150	1.3
123.08068	0.6
123.11686	0.4
124.68867	0.2
125.05984	0.4
125.09608	0.5
127.03899	0.4
127.11166	0.3
129.07036	0.3
131.08566	0.7
133.06476	0.3
133.10109	1.0
135.08061	0.6
135.11670	0.8
137.05945	1.3
137.09625	0.6
137.13203	0.3
139.07558	0.3
139.11223	0.4
143.03331	0.3
143.08592	0.5
145.04947	0.5
145.10107	1.1
147.04434	0.3
147.07979	0.4
147.11665	1.2
151.07521	0.5
151.11218	0.4
153.12872	0.3
157.10114	0.7
159.11655	0.6
161.05954	0.4
161.09586	0.5
161.13263	0.4
162.69164	0.3
163.11168	0.6
165.09055	0.4
167.07072	0.3
169.12483	0.3
171.11623	0.4
173.13251	0.3
175.11127	0.4
175.14857	0.3
177.12798	0.3
183.13853	0.3
185.13263	0.3
187.07544	0.5
188.29407	0.2
189.16357	0.5
193.12248	0.5
199.16956	0.8
200.17314	0.8
203.05237	6.7
203.07048	0.4
203.14240	0.4
209.09749	0.3
217.08661	0.3
217.15880	0.8
217.18015	0.9
218.18236	1.2
219.08070	0.3
235.16879	0.5
298.49887	0.2
331.22470	0.5
336.48972	0.3
349.27106	12.5
367.28180	1.0
475.34894	0.3
481.54739	0.3
493.35297	0.3
499.31915	0.5
529.33398	100.0
530.33795	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.41
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25079	0.8
53.03938	1.3
55.01855	1.1
55.05507	6.1
57.03440	1.4
57.07069	26.9
65.03927	0.8
67.05497	12.3
68.05810	0.9
68.37610	0.7
69.03414	1.7
69.07059	5.5
71.08624	25.9
71.63180	1.2
73.02912	0.9
73.06540	7.5
79.05475	6.1
80.05821	0.8
81.03409	2.9
81.07043	10.1
82.03703	0.8
82.07392	1.1
83.04970	1.3
83.08600	6.7
85.02891	2.2
85.10173	23.5
87.04460	3.7
89.06020	100.0
91.05457	5.9
91.07586	0.9
93.07033	6.8
94.07372	1.3
95.04951	1.8
95.08586	4.6
97.02896	0.9
97.06510	0.8
97.10177	2.3
99.11738	2.6
105.07032	4.6
106.07381	1.6
107.07047	2.8
107.08583	4.9
109.10133	3.8
110.10486	1.5
111.08071	0.9
117.07001	1.3
117.09121	6.0
118.07345	0.8
119.08576	4.1
120.08907	1.3
121.10149	2.9
125.09655	0.8
128.06155	1.2
129.06998	2.4
130.07288	0.9
130.08624	4.2
131.07063	1.2
131.08563	3.1
133.08588	51.4
133.10162	3.2
134.10454	1.0
135.08101	0.7
135.10170	0.9
135.11702	1.7
136.12035	0.7
141.16376	4.3
143.08551	2.5
144.08885	0.9
145.10106	4.5
146.10434	0.7
147.04440	1.4
147.11693	1.6
155.08565	1.6
156.09053	0.9
157.10112	1.7
159.11710	2.6
161.11693	1.8
169.10112	0.7
170.10568	1.2
171.11722	1.1
172.12173	1.0
173.13159	1.2
177.11195	20.5
185.13271	1.1
185.18951	5.3
195.11813	1.4
197.13310	1.3
198.13696	0.9
199.14810	1.2
203.44081	0.8
212.15179	0.9
217.39598	0.8
221.13811	5.6
226.21625	2.4
229.21603	13.6
239.14935	1.9
273.24191	7.7
275.20081	2.0
283.17630	2.9
296.49823	0.8
296.75705	0.8
309.19376	1.1
327.20319	2.2
371.22781	7.7
418.31622	1.0
423.33310	1.7
436.32938	2.4
454.34048	0.9
467.35706	1.2
510.36630	2.1
511.38449	20.1
528.28955	2.0
528.37164	19.0
529.34436	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	528.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.7
55.01858	6.9
55.05502	20.1
57.03432	18.1
60.57806	1.7
61.02911	2.6
67.05497	31.8
68.05843	2.2
69.03412	3.7
69.07056	12.7
70.05774	7.0
71.04973	7.4
73.02909	2.9
79.05485	40.7
81.03408	49.4
81.07050	41.9
82.03761	1.7
82.07374	1.8
83.04968	15.8
83.08607	25.6
85.02895	20.6
85.06526	3.0
87.79158	1.7
91.05469	34.5
93.07030	47.3
95.04961	29.9
95.08595	46.3
96.37920	1.8
97.02866	7.6
97.06507	7.3
97.10134	4.3
98.20880	2.3
99.04446	6.1
105.07010	23.8
107.04941	15.3
107.08578	35.2
109.06506	8.0
109.10133	9.8
110.10451	2.1
111.04398	4.8
111.08062	9.0
111.34155	1.8
113.05977	4.2
117.06989	11.9
119.08556	27.8
119.27224	1.8
121.06473	4.8
121.10110	21.3
123.08045	5.0
125.05938	3.4
125.09618	1.9
129.06990	7.6
131.08553	12.4
133.06487	3.5
133.10098	15.5
134.10397	2.6
135.07996	3.9
135.11673	46.0
137.09621	3.4
139.07568	2.6
142.07758	2.4
145.10114	28.7
147.08015	4.8
147.11700	13.6
149.09579	6.8
151.11137	4.0
153.12732	1.9
157.10097	13.6
163.11162	66.3
165.12741	3.5
173.04443	2.2
173.12999	1.8
175.11183	12.0
181.12241	12.1
193.12219	38.9
209.11769	2.3
211.13264	47.7
211.61345	1.8
227.12753	92.5
254.14613	2.5
267.15891	25.9
283.15356	81.8
285.16928	95.7
465.90854	1.7
468.88614	2.0
475.26859	27.3
493.27921	100.0
494.28271	3.5
528.28699	4.1
547.24103	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
53.03933	2.9
55.01866	11.3
55.05505	24.7
57.03429	19.8
57.07045	1.5
59.04981	3.5
65.03919	1.3
66.97361	1.1
67.05494	27.4
69.03419	4.9
69.07060	8.6
69.49670	1.1
71.01331	1.3
71.04987	5.7
79.05479	31.6
81.03405	60.9
81.07043	35.9
83.01326	11.2
83.04964	21.0
83.08127	1.9
83.08607	27.6
85.02885	18.7
85.06522	3.9
85.52884	1.0
86.54218	1.0
91.05466	34.8
92.05778	1.0
93.06460	2.3
93.07028	36.1
95.04954	25.5
95.08582	11.5
97.02892	3.5
97.06499	5.4
97.10161	4.6
99.04445	2.5
105.07013	23.4
107.04936	12.4
107.08581	17.1
109.06520	8.9
109.10152	3.2
111.04431	5.0
111.08076	9.6
113.06007	2.6
115.05453	1.9
117.06979	7.2
119.08551	24.7
121.06484	6.0
121.10130	12.6
121.61119	1.0
123.04353	1.3
123.08047	9.8
125.06016	1.5
125.09569	2.3
129.06993	10.5
131.08543	10.9
133.06508	3.1
133.10097	11.1
135.08002	3.0
135.11668	12.1
137.09558	2.5
139.07550	1.2
142.07701	1.9
143.08528	1.5
145.06487	1.5
145.10114	13.2
147.08029	4.2
147.11678	13.6
149.09564	5.4
151.11200	1.3
153.12726	2.3
155.08571	1.4
156.20421	1.1
157.10130	10.0
163.11157	25.0
165.12659	1.6
173.09581	3.2
175.11140	13.0
181.12253	4.5
191.10678	3.6
193.12207	41.1
194.12714	1.1
209.11742	7.9
211.13252	78.3
212.13596	1.3
227.12714	3.7
267.15894	13.4
271.94302	1.4
283.15347	100.0
284.15659	2.8
285.16919	61.9
286.17245	1.7
308.21567	1.3
342.28528	1.1
383.22043	1.8
457.25403	1.5
475.26895	14.5
493.27899	87.7
494.28149	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	528.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.4
55.05502	10.2
57.03437	5.9
57.07067	12.3
59.04982	2.8
61.02905	3.5
67.05480	2.5
69.03419	8.3
69.07057	68.5
69.50488	3.7
69.50919	3.7
71.04986	6.6
71.08617	9.8
71.21297	0.8
73.02908	9.7
73.06542	10.4
79.05469	1.3
81.03400	1.6
81.07041	2.9
83.08588	4.1
83.89125	0.8
85.02890	19.0
85.10151	4.7
87.04454	1.4
89.05466	1.9
89.06017	32.9
91.05466	1.8
93.06998	1.5
95.04953	1.0
95.08589	2.4
97.02872	13.0
98.21450	1.3
99.04424	1.3
103.03915	1.5
105.07005	0.9
105.80398	0.8
107.07056	1.1
109.02871	0.9
109.10149	1.8
111.11701	100.0
112.11997	1.4
115.03912	5.7
119.08562	2.0
121.10143	1.0
127.03903	4.3
129.12733	98.0
130.13034	1.5
131.08580	1.5
132.08882	1.1
133.04953	4.5
133.10123	1.3
137.05894	1.2
143.08611	1.5
145.04973	5.1
145.10042	1.2
146.10497	1.0
163.05980	1.8
199.16896	29.9
217.17957	45.8
348.22641	2.5
528.24628	1.4
529.33575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01867	5.8
55.05502	5.2
57.03450	3.4
61.02908	1.6
65.99461	1.5
67.05483	8.2
69.03423	12.1
69.07048	8.0
70.06576	2.2
71.04990	8.4
71.61967	2.7
73.02908	2.5
74.12057	1.4
79.05475	13.1
81.03409	23.8
81.07041	18.8
83.04971	4.9
85.02894	7.1
85.06520	6.8
86.09694	1.8
91.05464	7.5
93.07030	27.7
95.04954	5.8
95.08603	8.4
97.02888	4.2
97.06512	8.2
99.04446	15.2
103.05447	1.7
105.07019	23.6
107.04987	3.4
107.07860	2.7
107.08579	40.3
107.09283	2.5
109.02866	31.9
109.06521	12.4
109.10172	2.9
111.04410	2.5
111.08063	4.7
113.06015	4.8
115.03965	1.8
117.07021	2.7
119.04963	1.7
119.08571	11.6
121.06495	15.0
121.09293	2.6
121.10130	30.7
123.08028	5.7
125.05962	2.5
127.03902	27.8
127.07536	4.6
129.94592	1.4
131.04916	4.0
131.08569	1.7
133.06464	1.9
133.10091	1.7
135.08040	7.5
135.11664	13.1
137.02354	1.7
137.05946	9.4
137.09586	1.7
139.07472	2.2
139.11162	2.8
140.00734	1.5
143.08545	1.8
145.08595	6.4
145.10118	28.9
147.04399	4.5
147.11664	5.2
149.05975	4.6
149.09578	13.7
150.06755	2.3
151.03949	2.0
151.07579	9.2
153.01830	6.2
160.07468	1.6
161.05942	7.8
161.09589	2.7
163.07547	8.5
163.11160	78.5
165.09109	3.4
167.07034	6.0
167.10670	22.0
169.08583	37.9
173.09616	6.8
174.06622	1.6
175.07420	2.4
179.06981	2.1
181.05096	1.5
181.08569	2.2
181.12213	20.3
184.07210	1.7
185.11717	6.3
187.13365	1.6
189.09109	5.4
191.08907	2.8
191.10646	44.6
193.08560	8.1
206.08209	4.0
207.06664	1.7
207.10164	6.4
209.11705	40.0
211.09654	9.9
227.12747	100.0
245.13756	7.3
269.13837	13.2
271.13284	2.3
289.14221	7.7
299.12717	4.2
301.10648	1.7
302.11667	1.7
313.10712	2.0
317.13843	5.8
319.04648	2.0
323.12341	6.6
329.14621	2.4
331.15451	3.6
335.14841	11.1
353.11557	3.4
353.15894	53.0
371.16977	36.5
389.17978	6.5
490.82095	1.8
528.23920	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	528.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
53.03925	0.8
54.03273	0.3
55.01856	0.7
55.74734	0.2
57.03421	0.8
58.78785	0.2
61.02914	0.4
61.13216	0.3
69.03414	3.0
70.06578	1.0
71.04971	1.0
71.62354	0.4
73.02897	0.4
74.06077	0.4
79.01842	2.5
79.05476	0.7
81.03401	4.9
83.04965	0.4
85.02895	3.9
85.06553	0.3
91.05460	0.9
93.06989	0.3
95.04964	0.7
95.08607	0.4
97.02879	4.5
99.04430	1.9
103.03905	1.1
103.05437	0.4
105.06993	0.4
107.01300	1.3
107.04942	1.0
109.02866	5.4
111.04456	0.3
112.07557	0.7
115.05466	0.4
119.04921	1.4
123.08056	0.3
125.02330	3.1
127.03894	7.3
131.04893	2.1
133.02831	1.9
133.10120	0.3
135.04411	1.8
137.05957	5.8
140.07060	0.4
143.03383	5.1
145.04938	1.1
145.08572	0.7
147.04396	3.3
149.05959	1.1
151.03908	0.6
151.07503	0.6
153.01804	100.0
154.02107	0.9
157.06461	0.3
160.05194	0.4
161.05951	0.8
163.07535	1.4
163.91620	0.3
167.03401	0.4
167.06955	0.5
169.06490	0.6
170.05586	0.3
171.02866	10.9
175.07500	1.0
177.05446	1.0
179.06995	1.8
181.06483	0.9
187.07481	0.5
188.03709	1.1
189.03709	0.3
189.05434	0.4
191.07001	0.9
195.02905	0.5
197.06024	0.4
197.07857	0.5
199.07373	0.3
201.09001	0.4
203.06999	0.6
207.06482	0.3
211.07567	0.5
213.03877	0.8
213.09149	0.3
215.07045	0.9
217.08806	0.4
221.08043	0.4
227.07051	0.5
229.08543	1.5
233.08113	0.8
241.08595	1.1
255.04968	1.4
257.08057	1.5
259.09653	1.1
269.08038	0.4
275.09055	0.6
279.05035	0.4
287.09055	2.9
297.06018	7.6
305.10156	0.8
315.07037	14.9
316.07458	0.3
359.03812	0.3
411.10727	0.3
463.12024	0.4
478.15692	0.3
492.17084	0.4
510.17676	0.7
528.18976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.01848	1.5
55.05500	9.7
57.03426	2.4
57.07056	0.9
59.04998	0.6
65.03925	1.2
67.05495	22.0
69.03442	1.1
69.07057	8.4
69.93633	1.1
69.94044	1.8
71.04967	1.7
71.08591	0.4
79.05479	13.6
81.02971	0.7
81.03408	7.6
81.07044	20.2
83.04972	1.8
83.08610	6.8
83.32877	0.4
85.06541	0.8
91.05466	12.6
93.07029	14.6
95.04947	4.4
95.08593	12.1
97.02871	0.7
97.06504	1.9
97.10143	4.2
99.08044	0.8
105.07018	13.2
107.04930	1.2
107.08580	9.1
109.06493	1.4
109.10149	7.9
111.08080	1.9
115.05438	1.3
116.06329	0.5
117.06998	6.4
119.08560	10.5
121.06454	1.1
121.10137	6.3
123.08082	0.8
123.11678	1.4
125.09615	2.7
128.06168	1.6
129.06964	5.9
130.07777	0.5
131.08549	11.9
133.06451	0.6
133.10101	7.7
135.08032	1.1
135.11678	3.4
137.09625	0.8
141.06999	1.6
142.07748	1.7
143.08536	7.7
145.02812	0.5
145.06407	0.6
145.10095	9.9
147.07996	1.0
147.11659	4.1
149.09663	0.6
149.13245	2.2
154.07727	1.0
155.08533	4.1
156.09383	0.7
157.10095	8.4
159.11674	7.4
161.09662	0.5
161.13235	2.0
163.14761	0.5
166.07780	0.5
167.08493	1.4
167.56001	0.4
169.10094	5.8
170.10893	0.5
171.10201	0.7
171.11665	6.5
173.11751	1.1
173.13258	5.2
175.11119	0.9
175.14755	1.0
177.05414	2.6
177.12831	0.7
181.10120	2.0
183.11667	5.7
184.12395	0.5
185.13231	6.1
187.14812	2.4
189.11203	1.0
189.16397	0.5
193.10387	0.8
193.12248	3.6
195.11697	2.1
196.12294	0.5
197.13210	4.5
199.13278	0.6
199.14792	3.0
201.16484	0.8
203.14272	0.5
207.11710	0.9
209.13283	1.4
211.14835	2.6
213.12675	0.6
213.16415	1.1
221.13246	1.0
223.14819	1.8
225.16354	0.6
229.19498	0.5
230.12971	0.5
235.14877	0.6
237.16400	1.2
239.18008	0.7
241.19582	0.7
243.21320	0.7
255.17288	0.6
259.20612	1.4
261.22144	1.1
277.19379	0.7
295.20383	0.7
297.22134	1.1
299.23712	0.6
301.25174	0.8
309.22000	1.1
311.23633	1.2
315.23111	1.3
323.23849	0.8
325.21396	0.7
325.25223	0.5
327.23123	0.8
329.24683	0.8
337.25278	0.9
339.23273	0.8
341.24887	0.8
353.24741	0.5
355.26297	0.5
365.10742	0.8
367.26431	0.6
383.24393	0.7
415.29257	0.5
415.51074	0.5
417.31509	3.1
425.34229	0.6
435.32553	9.4
453.27686	0.6
453.33594	5.6
471.34750	2.7
473.33713	0.5
491.35324	0.9
509.36221	5.8
527.16455	4.3
527.37305	100.0
528.37909	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	527.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01858	1.8
55.05503	12.3
57.03430	3.4
57.07069	1.1
59.04986	1.0
61.02917	0.9
65.03931	0.9
67.05498	25.3
69.03432	1.9
69.07058	10.3
69.44965	3.9
69.45395	2.9
71.04977	1.9
76.54797	0.7
77.03930	0.9
79.05049	1.2
79.05485	16.9
81.03416	4.3
81.07048	23.2
83.04968	2.3
83.08616	6.7
85.02876	1.2
85.06522	2.5
91.05474	15.3
93.07031	17.2
95.04961	2.9
95.08598	13.5
96.05237	0.7
97.06519	2.1
97.10174	3.7
99.08088	1.0
105.07020	15.0
106.07375	0.8
107.08592	9.4
109.06526	1.5
109.10152	10.6
111.08068	1.3
115.05438	1.0
117.06998	8.3
119.08586	11.7
121.06484	0.9
121.10135	5.8
123.11707	1.9
125.09654	2.1
128.06207	1.5
129.06998	7.3
130.07785	1.2
131.08546	14.8
133.10135	8.1
135.11690	3.5
137.09572	0.9
139.11226	0.9
141.06982	3.4
142.07777	2.0
143.08549	11.7
145.10117	11.2
147.08058	0.9
147.11674	4.6
149.09586	1.1
149.13284	2.6
154.07791	0.8
155.08548	6.1
156.09308	0.9
157.10114	11.3
159.11673	9.7
161.13263	2.1
163.11223	1.2
163.14783	0.7
164.54771	0.6
167.08606	2.1
168.60780	0.8
169.10117	9.7
171.11678	9.2
173.11850	1.4
173.13278	5.3
175.11188	1.7
175.14890	1.0
175.74519	0.8
181.10159	2.9
182.10751	1.0
183.11676	6.3
185.13280	6.8
187.14836	3.3
189.11133	1.0
193.06549	0.8
193.10251	0.8
193.12279	0.9
195.11684	4.0
197.13246	6.0
199.13245	1.0
199.14825	5.2
201.16281	1.2
207.11819	0.7
209.13286	3.2
211.14789	3.1
213.16400	2.4
221.13219	1.3
223.14777	2.9
225.16417	1.7
227.17986	1.3
235.14774	1.1
237.16408	1.7
241.19699	0.9
249.16451	0.9
251.17950	0.7
259.20560	1.2
273.00375	0.7
283.20712	1.0
295.20624	1.1
297.22192	1.5
309.22183	1.3
311.23669	0.8
313.21603	1.3
315.23227	1.1
316.75641	0.9
329.24689	0.9
353.24670	0.9
355.26575	1.0
363.44846	0.8
383.24042	1.3
417.31558	2.7
435.32578	9.4
437.62308	0.8
453.33551	6.4
471.34717	3.6
473.34387	1.1
491.35309	1.4
509.36218	9.0
527.37354	100.0
528.37671	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	527.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01854	1.7
55.05258	0.6
55.05505	9.8
57.03416	2.0
57.07074	1.2
62.83439	0.4
65.03921	1.1
67.05493	22.4
67.27757	0.3
69.03414	1.1
69.07055	7.6
70.09449	0.3
71.04978	1.2
71.63232	0.7
74.70288	0.4
79.05480	16.5
80.09468	0.4
80.75288	0.3
81.03406	10.0
81.07041	20.0
82.58981	0.4
83.04977	1.7
83.08607	6.3
85.06536	1.2
91.05468	13.8
93.07027	17.5
95.04955	4.8
95.08597	12.2
96.08929	0.4
97.02895	0.6
97.06525	1.7
97.10155	4.6
99.08090	0.5
103.05432	0.5
103.98156	0.4
105.07018	12.0
107.04948	1.2
107.08580	10.3
107.09277	0.6
109.06520	1.3
109.10137	7.7
111.08073	1.4
111.11703	0.4
115.05480	0.9
117.07001	7.9
119.08557	9.5
119.09348	0.7
121.06501	0.9
121.10119	6.6
123.08028	1.1
123.11666	1.1
125.09592	2.7
128.06198	1.7
129.06987	8.0
130.07782	0.8
131.08548	13.4
133.10117	7.6
135.08052	1.0
135.11668	3.5
137.09628	0.9
141.06941	2.1
142.07765	1.9
143.08539	9.9
145.06500	0.6
145.10109	9.9
147.08055	0.8
147.11668	4.6
149.09634	0.8
149.13264	2.1
153.07024	0.7
155.08521	6.3
156.09328	0.9
157.10106	9.7
159.07982	0.5
159.11659	8.7
161.09576	0.4
161.13257	2.1
163.14743	0.6
166.54065	0.4
167.08601	1.6
168.09319	0.7
169.10103	6.8
171.11665	7.5
171.13112	0.6
173.09502	0.4
173.11810	0.7
173.13188	4.8
175.11172	1.4
175.14835	1.0
179.08533	0.5
181.10088	2.7
183.11655	6.2
185.13231	5.7
187.11140	0.4
187.14729	2.0
189.11148	1.2
189.12704	0.7
193.10376	0.8
193.12186	4.4
195.11635	2.7
197.13231	5.1
199.14835	3.5
201.12769	0.5
201.16362	0.7
203.14322	0.5
203.17889	0.5
209.13203	2.4
211.14861	2.6
213.12761	0.5
213.16391	1.6
221.13222	0.9
223.14789	1.8
225.16434	1.6
227.17986	0.6
231.13765	0.6
233.13161	0.6
235.14815	1.1
237.16383	1.3
239.17966	1.0
241.19678	0.7
243.21135	0.7
249.16476	0.6
251.17914	0.9
261.22192	1.3
265.19312	0.4
267.21216	0.4
269.19113	0.5
273.18335	0.6
279.21008	0.8
283.20700	0.7
295.20547	0.7
297.22260	0.7
299.23846	0.7
301.21506	0.5
309.22018	0.7
311.23477	1.0
313.21616	0.9
317.24820	0.5
321.22339	0.7
323.23654	0.8
325.25348	0.6
327.23080	0.9
337.25235	0.8
341.24435	0.5
353.24948	0.8
355.26407	0.5
367.25842	0.5
417.31458	2.5
425.34128	0.6
435.32529	9.3
453.33456	5.2
471.35074	2.8
473.34335	0.6
483.34659	0.5
491.35446	1.0
509.36374	6.3
524.82440	0.5
526.13770	0.5
527.37268	100.0
528.37677	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01861	1.6
55.05505	10.5
57.03419	2.2
57.07065	1.9
65.03927	1.6
67.05495	22.1
69.07057	8.9
71.04969	1.3
71.08645	1.0
76.01279	0.8
77.86536	0.8
78.43740	0.8
79.05483	17.5
81.03398	3.3
81.06568	1.3
81.07043	20.3
83.04983	1.8
83.08610	5.7
85.06499	1.2
89.06036	1.3
91.05468	15.4
93.06132	0.8
93.07030	18.2
95.04957	2.6
95.08589	15.7
97.06538	2.3
97.10170	2.8
105.07018	15.0
105.07671	1.2
107.04952	1.1
107.08572	9.5
109.06496	1.2
109.10139	5.3
111.08070	1.2
111.11750	0.8
117.07008	8.2
119.08565	13.0
121.10134	6.5
123.08105	1.1
123.11681	1.5
125.09660	1.3
128.06227	2.0
129.06987	8.3
130.07796	0.9
131.08543	14.5
133.10106	9.3
135.08092	1.0
135.11694	3.9
141.06989	2.5
142.07774	2.1
143.08536	11.3
145.10103	11.6
147.07967	1.1
147.11678	4.8
149.13263	2.3
155.08556	6.4
156.09384	1.0
157.10115	9.1
159.08157	0.8
159.11673	10.7
161.13281	1.8
167.08572	2.1
168.09338	1.0
169.10095	7.3
171.11664	8.9
173.13216	5.9
175.11160	1.0
179.08690	1.3
181.10104	3.0
183.11665	10.5
185.13251	6.2
187.14806	2.8
195.11737	3.8
195.13423	0.8
197.13232	6.8
199.14810	3.4
207.11671	1.1
209.13226	3.5
211.14873	3.1
213.16438	1.8
221.13229	2.0
223.14859	2.4
225.16335	1.1
235.14827	1.4
237.16394	1.6
241.19470	1.6
249.16333	1.3
251.17833	1.0
259.20554	2.8
261.22015	0.9
265.19629	1.0
283.20660	1.2
292.35901	0.7
297.21951	1.0
309.22501	0.7
311.23581	1.4
315.23315	1.7
323.23688	1.0
325.21896	1.0
353.24774	0.9
417.31488	3.2
435.32547	11.5
453.33563	6.4
471.34702	3.4
473.34351	1.2
491.35114	1.9
509.36011	7.2
527.37262	100.0
528.37628	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2843
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
53.03924	5.4
55.01859	9.5
55.05502	29.9
55.05774	1.7
57.03424	15.4
57.07057	1.8
59.04990	2.6
61.02913	15.5
65.03915	2.4
67.05492	48.6
69.03075	1.8
69.03419	25.1
69.07054	28.4
69.55169	9.8
71.01328	3.7
71.04977	8.5
73.02907	8.2
79.05479	30.9
81.03405	32.8
81.06569	2.1
81.07039	35.8
83.01281	1.3
83.04958	12.4
83.08203	1.5
83.08608	17.6
85.02418	1.8
85.02893	25.0
85.06498	2.8
87.04431	3.3
91.03938	7.1
91.05466	29.2
93.06467	1.6
93.07028	27.7
94.04099	1.4
95.04945	20.2
95.08587	20.1
97.02870	23.3
97.06515	6.3
97.10155	20.8
99.04431	7.0
101.02373	5.5
103.03931	2.0
105.03391	1.2
105.07017	19.3
107.04958	9.3
107.08574	21.3
109.02856	8.8
109.06490	6.1
109.10139	24.1
111.04431	5.1
111.08039	4.1
113.05923	1.4
113.09544	1.3
115.03902	2.1
115.05416	1.6
116.06249	1.8
117.03337	2.8
117.07008	7.3
119.04911	5.3
119.08562	16.5
119.38110	1.1
121.06497	5.7
121.10133	10.2
123.04406	2.0
123.08031	8.5
123.11731	1.9
125.09611	20.7
125.57143	1.2
127.03895	12.2
128.06200	1.5
129.05438	3.3
129.06961	5.0
131.08554	10.9
133.06473	3.9
133.10107	10.5
135.08022	4.3
135.11665	4.6
137.05968	2.2
137.09612	3.5
139.11124	1.4
141.07005	2.1
143.08525	5.0
143.10646	1.4
145.02840	7.6
145.04999	2.7
145.06360	1.7
145.10118	10.9
147.04384	10.0
147.08029	8.0
147.11639	6.1
149.05992	1.6
149.09567	4.2
149.13278	2.7
151.07556	1.9
151.11128	2.2
153.09052	2.7
155.08511	1.7
157.10088	7.0
159.07996	1.4
159.11653	4.0
161.09572	4.1
161.13235	1.4
163.11179	6.8
165.09059	3.5
171.08041	1.5
171.10226	1.3
171.11649	2.7
173.04381	1.8
173.09558	1.4
173.11696	4.8
175.11166	3.7
177.05411	12.9
177.12732	1.9
181.12257	1.5
183.06477	2.2
183.10229	1.3
185.13145	1.6
187.11194	1.6
189.09512	1.9
189.11176	15.2
189.12706	2.2
191.10632	3.2
193.12193	9.8
195.13802	1.8
199.11107	1.5
203.10710	1.5
205.12085	2.1
209.11708	3.4
211.13248	10.1
221.11691	1.5
223.13263	20.2
227.12659	6.0
229.12259	1.3
229.14307	5.4
235.13203	2.3
237.16402	1.6
245.13788	2.3
245.18979	1.7
249.12170	1.2
249.14784	4.4
253.14304	1.8
263.20013	1.9
267.15723	6.6
273.18439	18.9
283.15298	3.7
291.19492	100.0
301.14255	1.5
309.20300	1.5
347.22083	9.6
365.23157	35.5
393.22861	2.4
435.23584	2.4
448.06442	1.5
456.35489	1.4
459.27225	1.9
473.25085	2.4
491.26434	2.3
509.27158	7.4
527.28229	36.6
527.35114	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.4
53.03927	0.9
55.01859	1.1
55.05502	2.8
57.03429	0.4
57.07052	0.6
59.01346	0.3
59.04994	0.4
64.63143	0.2
65.03947	0.3
67.05492	1.6
69.03419	2.4
69.07057	4.8
70.59068	0.9
71.04969	1.1
71.08643	0.3
79.01830	2.2
79.05473	1.2
81.03410	6.3
81.07046	4.5
82.07334	0.3
83.04967	1.8
83.08617	1.1
85.02899	2.6
85.06528	1.6
91.05487	1.2
93.07024	2.5
94.06524	0.4
95.04971	0.6
95.07308	0.3
95.08593	4.5
95.87816	0.2
96.08110	1.0
97.02885	2.7
97.06509	1.2
97.08480	0.3
97.10172	1.4
97.10731	0.3
98.44056	0.3
99.04434	0.6
99.08074	3.0
105.07035	0.8
107.01286	1.2
107.04922	0.4
107.08582	3.4
108.08097	0.8
109.02866	3.7
109.06463	0.3
109.10154	2.2
110.09705	1.7
110.10340	0.4
111.08080	0.6
111.10023	0.7
111.11722	0.7
113.09612	0.8
119.08559	0.9
120.08092	1.0
121.06487	0.4
121.08385	0.3
121.10123	2.8
123.08031	0.7
123.11659	1.3
125.02320	3.1
125.09639	1.1
127.03903	4.7
127.11156	0.5
133.10178	0.5
135.08011	0.5
135.11665	1.5
137.05962	1.9
137.09589	0.6
137.13249	1.5
138.09106	1.8
139.09496	0.8
139.11044	0.4
143.03369	5.1
143.08519	0.4
145.04930	0.9
145.10107	0.4
147.08012	0.4
147.11702	0.3
149.05936	0.3
149.09581	0.3
149.13235	0.5
151.03880	0.3
151.07544	0.3
151.14815	0.3
153.01808	100.0
153.12715	1.7
154.02159	0.8
159.11702	0.4
161.05974	0.4
163.06062	0.3
163.07475	0.4
163.11191	0.4
165.09154	0.3
166.08626	2.4
167.07033	4.7
167.08853	1.2
168.07565	0.2
171.02867	7.4
177.16351	5.2
181.04979	0.5
181.08617	0.2
181.12354	0.3
189.46732	0.2
195.10489	0.3
195.17412	6.2
211.09810	0.2
213.18480	5.4
245.12933	0.3
246.13292	0.3
251.88142	0.3
255.11107	0.5
256.11584	0.4
268.11597	0.6
270.46274	0.2
284.10944	0.3
286.12268	0.3
296.11087	0.4
297.06039	6.5
301.11639	0.6
302.12027	0.7
313.11609	0.7
314.12231	0.9
315.07031	11.1
316.07526	0.3
317.14023	0.3
324.10529	0.3
329.11032	0.4
330.11505	0.6
361.13837	2.2
362.14136	4.1
467.19815	0.4
495.19336	1.6
509.20911	0.8
527.24591	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	527.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.2
51.02381	0.3
53.03930	0.6
54.68548	0.3
55.01859	0.9
55.05284	0.3
55.05507	2.4
57.03419	0.8
57.07052	0.8
61.02919	0.4
63.60189	0.2
65.03935	0.2
67.05486	1.9
69.03415	2.4
69.06715	0.4
69.07057	5.4
71.04980	1.7
71.08612	0.3
71.62179	0.3
71.62584	0.4
79.01843	2.7
79.05490	1.3
81.03403	5.3
81.07047	5.2
82.07388	0.4
83.04969	2.2
83.08601	1.4
85.02895	3.4
85.06536	1.7
85.21701	0.2
91.05465	0.9
93.07037	2.6
95.04962	0.8
95.08598	5.2
96.08911	0.4
97.02882	3.0
97.06535	1.5
97.10145	1.5
99.04436	1.2
99.08082	4.0
105.07024	1.0
107.01300	0.9
107.04932	0.4
107.08580	3.6
109.02863	4.2
109.06503	0.7
109.10139	2.9
110.10468	0.3
111.04477	0.3
111.08069	1.1
111.11699	1.1
113.09618	1.1
116.07056	0.4
119.08561	1.0
121.06512	0.7
121.10126	4.3
122.68420	0.3
123.04420	0.3
123.08038	0.7
123.11690	1.2
125.02320	2.9
125.09616	1.6
127.03892	5.4
127.11109	0.3
128.04088	0.3
129.06984	0.3
129.22452	0.3
131.04932	0.4
131.08510	0.4
133.06490	0.4
133.10095	0.8
135.08029	0.3
135.11696	1.9
137.05963	1.6
137.09642	0.4
137.13242	1.8
139.11163	0.9
143.03372	4.5
143.08554	0.3
145.04909	0.9
145.10066	0.3
147.04420	0.4
147.07941	0.3
147.11649	0.4
149.09578	0.6
149.13255	0.8
151.03999	0.4
151.07520	0.5
151.14793	0.3
153.01805	100.0
153.12721	1.2
154.02161	0.9
157.10175	0.3
161.09666	0.3
161.13237	0.3
163.11137	0.5
167.07004	1.1
167.10678	0.3
171.02861	8.8
173.09692	0.3
173.13242	0.3
177.16365	6.5
181.04907	0.3
181.12161	0.3
185.07118	2.7
191.10709	0.3
195.17398	6.8
213.03859	0.3
213.06596	1.6
213.08276	0.3
213.16446	0.3
213.18466	5.9
228.13046	0.3
230.14781	0.4
279.05099	0.3
297.06003	7.2
301.10608	0.3
303.19342	0.3
311.28580	0.3
315.07050	12.8
321.20544	0.3
527.24860	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	526.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	8.4
55.05505	24.4
57.03437	16.6
67.05495	65.4
69.03409	7.1
69.07047	16.7
71.04976	9.4
71.62105	5.9
79.05049	5.3
79.05482	73.3
81.03409	63.0
81.07046	58.1
83.04984	23.8
83.08613	23.9
85.02895	20.7
85.06512	4.4
87.05899	2.8
91.04890	3.6
91.05468	71.1
93.07030	69.8
95.04959	32.1
95.08586	29.7
97.06523	6.9
97.10120	7.1
105.06374	4.4
105.07018	52.9
105.26524	2.7
107.04921	11.7
107.08575	23.2
109.06490	8.8
109.10147	21.8
111.08070	9.9
117.06951	7.1
119.08554	34.1
121.06454	8.2
121.10106	13.7
123.08039	11.0
123.11681	4.8
129.07002	26.9
131.08530	13.7
133.10112	20.7
135.11681	5.7
137.09619	3.4
143.08553	9.7
145.10101	16.1
147.08055	5.1
147.11668	52.2
149.09615	4.7
157.10155	13.9
159.11717	3.6
161.09639	4.3
161.13173	9.4
171.11658	25.3
175.11153	13.8
187.14760	3.1
189.12733	10.8
193.12256	29.5
207.13733	31.1
211.13252	51.0
267.15891	34.5
281.14243	4.4
281.17404	85.9
285.16943	40.6
286.73669	3.5
290.81625	2.8
394.93179	3.2
473.28955	64.7
491.29987	100.0
526.35529	12.1
527.28284	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	526.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
54.14401	0.7
55.01858	1.5
55.05492	3.0
57.03181	0.9
57.03429	9.6
61.02910	2.3
67.05510	3.8
69.03424	3.9
69.07045	3.2
70.06590	0.8
71.04991	1.6
71.36391	1.5
73.02914	14.5
74.77898	0.7
79.05478	3.7
81.03391	2.9
81.07043	9.4
82.07352	1.1
83.04962	1.8
83.08604	2.5
85.02876	3.9
85.06526	1.1
91.05468	9.5
93.07038	5.5
94.07365	1.0
95.04958	2.7
95.07362	0.9
95.08610	5.9
96.08130	1.4
96.08913	1.5
97.02869	1.4
97.06518	1.5
97.10115	1.1
98.06877	0.7
99.04443	1.1
99.08077	1.5
100.11251	4.3
102.04665	1.2
103.05453	19.5
104.17970	0.7
105.07024	7.4
107.04938	3.5
107.08607	3.9
108.05733	1.4
108.08144	0.7
108.08897	1.1
109.02864	2.1
109.06503	3.0
109.10125	4.8
110.09657	3.5
110.10414	1.5
111.04420	1.5
111.08021	0.7
112.03899	0.9
113.09654	1.1
115.03900	2.8
117.06986	0.9
118.04147	0.9
119.04935	9.6
119.08570	2.5
120.08089	2.4
120.08864	0.8
120.75103	0.6
121.02792	0.8
121.06474	2.7
121.10123	3.8
122.03613	0.8
122.10599	0.8
123.04417	1.3
123.08035	4.3
123.11671	2.8
125.09616	1.1
130.04112	2.6
131.04916	74.3
133.02863	3.8
133.06529	3.7
133.10100	1.1
135.08025	2.1
135.11685	1.8
136.05167	1.2
136.07626	0.8
137.05959	13.7
137.09564	1.4
137.13231	2.0
138.06662	1.1
138.09093	4.4
139.11162	1.8
140.07034	1.3
145.06490	0.9
147.04404	9.5
147.11652	4.7
148.30066	0.8
149.05913	4.5
149.13226	1.6
150.06686	1.8
150.13606	1.5
151.07516	16.1
153.01880	3.8
153.05460	4.3
153.12753	1.2
154.02170	1.1
157.10098	1.1
161.05984	4.8
161.09622	1.0
162.06749	11.5
163.07523	100.0
165.05453	2.8
165.09094	6.1
165.12767	1.7
166.08478	5.7
167.07034	1.9
167.14258	1.1
169.08589	2.1
173.05980	2.5
175.07487	2.3
175.11171	1.0
177.05447	4.3
177.09044	0.9
179.07019	28.3
181.08575	3.2
182.15474	3.5
187.07407	1.0
191.06989	2.3
193.08595	3.0
197.08073	20.9
203.06941	1.6
205.08539	1.1
209.08121	1.2
210.14830	3.9
211.08746	1.0
215.16397	1.0
217.08528	1.0
221.09781	1.0
223.09615	2.3
229.14330	8.3
235.09631	2.4
239.11719	1.2
267.11176	1.6
273.25583	0.9
280.27325	1.2
281.08395	1.2
283.10880	1.0
291.26700	2.2
292.27185	2.6
293.10214	3.7
296.11475	1.0
301.11642	1.3
309.11511	1.1
309.27887	1.6
310.28314	2.4
313.11649	1.8
327.12234	21.2
327.29062	0.8
328.29257	2.1
329.11020	2.0
341.10898	1.1
341.14374	1.0
347.14795	2.8
355.17572	2.2
359.14807	14.6
361.13840	6.9
369.14285	3.3
371.14981	1.3
377.15829	10.7
494.19431	6.0
508.20422	1.4
517.36389	1.1
526.21899	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88705	2.9
55.01876	4.3
55.05514	15.4
57.07056	11.6
58.22377	2.7
67.05503	22.5
69.03418	3.3
69.07058	48.2
70.22128	14.0
71.04961	6.4
71.08614	5.8
79.05471	7.2
81.03396	4.0
81.06564	6.0
81.07046	100.0
81.27859	2.5
83.08612	19.4
85.02875	11.5
85.06534	11.2
88.52442	2.8
91.05487	4.9
93.07034	30.5
95.08596	69.6
97.02878	2.8
97.06525	11.0
97.10140	10.1
99.08073	8.4
105.07006	12.4
107.08585	34.2
109.02860	2.8
109.10144	49.4
111.08070	11.7
111.11688	17.9
119.08543	6.0
121.10130	23.8
123.11684	38.4
125.13264	5.6
133.10088	6.2
135.11687	22.8
137.05969	13.8
137.13239	33.1
139.11127	4.8
147.11635	15.5
149.13232	24.9
151.14799	6.4
153.12746	21.3
155.14278	11.0
161.13225	5.0
163.14780	8.3
165.12761	12.6
165.16382	3.7
167.14285	5.4
171.13817	7.1
175.14825	4.5
177.16356	7.5
178.75923	2.7
179.17867	6.1
183.13777	8.4
191.48248	2.6
201.14803	4.0
203.17990	3.7
205.19403	6.6
223.20471	5.9
261.25787	4.6
273.25699	11.1
279.26733	9.4
291.26788	49.5
297.27792	9.3
309.27850	46.6
310.27957	4.1
327.28946	31.6
337.16537	3.1
525.23083	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	525.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01867	2.3
55.05499	11.0
55.53975	1.1
57.03423	2.6
57.07064	9.3
59.04998	1.6
61.02900	1.6
65.03928	1.0
67.05495	22.1
69.03413	6.1
69.07056	44.1
71.04979	4.3
71.08613	5.3
73.02896	1.2
79.05483	16.0
81.03405	3.9
81.07044	100.0
83.04969	3.1
83.08604	15.7
85.02890	7.8
85.06528	14.4
88.67325	1.1
91.05467	7.7
93.07029	34.6
94.07391	1.3
95.04943	4.3
95.08592	73.6
97.02863	3.2
97.06499	7.7
97.10153	8.6
99.08083	10.4
101.06027	1.5
105.07017	12.0
107.04927	2.0
107.08578	40.9
109.02874	2.7
109.06520	3.2
109.10141	52.1
111.04429	2.1
111.08060	15.6
111.11693	5.6
113.06017	1.6
113.09634	1.6
119.08546	9.0
121.02844	1.6
121.06477	3.6
121.10119	29.0
123.08003	1.9
123.11690	50.8
125.05884	1.5
125.09617	4.8
125.13222	2.4
127.03879	3.3
127.11209	1.5
129.05522	1.3
129.09088	2.6
131.08553	2.5
133.06404	1.2
133.10127	6.3
135.04378	1.2
135.11670	25.8
137.05949	8.5
137.09653	3.0
137.13229	28.1
139.11151	6.7
141.12726	4.3
143.08577	1.5
145.10110	3.5
147.11713	8.5
148.52574	1.1
149.05963	1.5
149.09637	2.3
149.13240	30.9
151.03886	1.5
151.07541	2.3
151.11148	2.5
151.14806	5.4
153.01807	3.3
153.12733	12.5
159.11655	1.8
161.13255	7.0
163.07472	2.8
163.11147	2.9
163.14799	12.5
165.09091	15.4
165.12689	4.1
165.16408	2.8
167.07008	10.9
167.14294	11.7
169.16019	1.3
171.13884	1.9
173.13228	1.9
175.14798	2.8
177.16356	11.1
179.17874	2.2
181.04964	2.5
181.15868	2.5
183.10165	1.9
189.12711	2.2
189.16411	2.9
191.17915	6.5
195.17409	1.4
203.17957	3.4
205.19528	3.8
211.09665	1.6
211.16833	1.6
217.12213	2.3
217.19479	13.0
221.18997	1.5
229.17885	2.4
235.13266	2.3
235.20554	7.7
236.13614	1.8
247.24124	2.7
253.14377	1.6
253.21600	3.5
254.14909	1.2
255.14975	2.1
261.25720	4.3
263.87201	1.2
273.25769	14.5
279.26862	8.4
291.26782	44.9
297.27933	5.6
309.27823	31.9
314.81763	1.2
327.28891	27.2
331.02704	1.1
345.29996	5.4
386.03113	1.7
525.22961	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	525.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03700	1.5
53.03934	2.5
55.01834	1.9
55.05507	10.8
57.07061	12.2
59.04984	3.9
65.03928	2.1
67.05166	1.7
67.05502	18.4
69.03423	2.5
69.07058	47.0
71.04986	3.0
71.08613	7.5
71.13925	3.4
71.14275	3.0
78.09100	1.5
79.05488	14.9
81.03420	3.0
81.07045	100.0
83.04976	2.4
83.08611	18.7
85.02899	5.8
85.06536	11.0
91.05506	3.6
93.07037	30.5
93.34277	1.6
95.04979	2.8
95.08592	74.9
97.06506	4.6
97.10165	10.4
98.17352	1.7
99.08072	8.6
105.06996	9.9
107.08582	36.2
109.06479	3.2
109.10142	56.9
109.10909	2.8
111.08083	11.5
111.11697	9.7
113.09600	2.3
119.08597	8.2
121.10128	23.3
121.10934	2.8
123.10802	3.0
123.11689	54.9
125.09633	2.0
125.13239	2.7
129.74884	1.6
133.10106	3.2
135.11684	26.9
137.06012	1.8
137.09619	1.8
137.13235	32.7
139.11162	7.1
141.12712	4.5
145.10031	1.7
147.11697	8.4
149.13228	28.6
151.14853	5.3
153.01813	10.9
153.12723	13.2
155.14275	6.3
161.13277	4.9
163.14816	16.9
165.12721	8.6
165.16415	4.0
167.07019	4.0
167.14326	6.3
171.13765	4.3
175.14824	4.5
177.16368	10.6
179.18076	3.0
181.15894	2.3
183.13802	2.6
189.16345	2.4
191.17935	8.4
193.15930	3.0
201.14851	2.6
203.17883	3.1
205.19353	3.2
211.16861	7.7
217.19476	3.7
223.20541	4.5
239.60698	1.9
241.04250	2.1
247.24103	2.0
261.25833	6.1
268.67578	1.6
273.25748	15.8
279.26859	8.7
291.23529	3.0
291.26791	63.1
297.27872	9.8
309.27820	37.5
327.28897	31.2
345.30026	2.3
403.58279	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05504	10.2
57.07056	5.7
57.45426	1.3
67.05159	1.9
67.05492	18.8
69.03403	4.1
69.07056	30.9
69.66056	4.2
69.66480	5.9
71.04981	3.1
71.08609	2.3
74.64338	1.4
77.85906	1.2
79.05470	12.6
81.07043	100.0
83.04930	1.7
83.08602	10.3
85.02894	6.6
85.06530	14.8
88.68045	1.4
91.05465	6.8
93.07028	27.6
95.04948	2.5
95.07301	1.9
95.08592	56.7
96.08108	3.1
97.02868	2.4
97.06497	8.2
97.10130	8.4
99.08086	11.8
105.07018	10.1
107.08573	24.1
108.08073	2.9
109.06485	2.7
109.10139	39.8
110.09646	5.1
111.08068	12.3
111.11703	14.6
113.06027	1.8
113.09578	1.6
119.08575	6.8
120.08088	4.2
121.06510	1.6
121.10113	21.7
123.11683	31.8
125.09591	6.2
127.03925	2.4
127.11144	2.3
133.10098	5.9
135.11685	16.6
137.05940	8.0
137.13226	26.5
138.09090	5.2
139.11179	7.5
145.04944	2.0
147.11639	5.8
148.07504	2.2
149.13235	23.2
151.14758	2.9
153.01794	2.7
153.12730	5.8
155.14258	12.5
159.11690	1.8
161.13191	9.8
163.05992	1.5
163.14769	9.4
165.09097	1.8
165.12721	4.5
165.16370	2.6
166.08636	7.6
167.14279	2.8
173.15407	2.0
175.14795	4.0
177.16351	5.8
189.16331	3.4
191.17941	6.6
203.17940	2.4
205.19496	9.7
217.19495	23.5
223.20572	7.9
235.20511	22.9
241.21588	3.5
253.21593	23.1
261.25748	2.8
267.10831	1.6
273.25711	5.9
279.26697	5.8
283.10791	1.7
287.40323	1.6
291.26797	26.8
301.11685	1.6
309.27817	22.0
313.11899	2.1
327.28818	15.8
345.29807	4.9
361.13934	13.9
494.19293	3.7
525.22406	1.6
526.21820	3.7
536.04077	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
54.99992	1.5
55.01860	7.1
55.05494	5.8
57.03410	3.9
67.05505	7.3
69.03416	12.8
69.07054	10.0
69.56134	10.3
70.06568	1.8
71.04985	13.3
73.02917	1.8
73.95679	1.3
74.67793	1.2
74.95174	1.2
75.93124	1.3
79.05473	9.3
81.03404	29.1
81.07043	23.6
83.04967	9.2
85.02873	6.0
85.06532	8.8
91.05470	9.7
93.07021	33.5
95.04967	6.9
95.08586	11.0
96.08904	1.5
97.02869	4.8
97.06502	12.1
98.20667	2.8
99.04436	15.1
99.08084	1.4
101.05417	1.3
101.05996	7.9
105.07008	27.7
107.04925	2.5
107.08575	43.9
109.02859	31.3
109.06498	8.7
109.10126	4.0
111.04420	4.0
111.08079	6.7
111.11724	1.8
113.05984	5.5
115.05431	1.6
116.95068	1.3
117.06999	4.9
119.07088	2.7
119.08557	12.7
121.06474	16.4
121.10118	35.3
122.02672	2.0
122.10463	1.5
123.04453	1.8
123.08042	7.6
124.07548	1.4
125.05949	2.7
125.09542	1.3
127.03889	27.2
127.07507	3.6
131.08507	4.3
133.06404	2.5
133.10103	1.6
135.08054	7.9
135.11688	12.6
137.05960	10.2
137.08035	5.7
137.09573	2.9
139.11186	2.1
140.07028	1.4
143.07069	1.6
145.08594	7.0
145.10092	32.5
147.11653	4.2
149.05939	2.5
149.09599	14.3
149.13240	1.6
151.03848	5.8
151.07504	5.3
153.01839	6.5
157.08598	1.7
161.09584	2.4
163.07515	3.2
163.11153	85.0
165.09076	3.0
167.03384	1.5
167.07062	1.7
167.10641	24.1
169.08574	39.1
173.09572	5.9
174.06654	2.1
175.07521	9.0
176.07910	4.6
177.05466	1.7
177.09068	1.5
177.16257	1.8
178.16643	1.4
179.06960	1.3
181.12195	15.5
185.11691	7.6
189.09088	3.9
190.04959	1.7
191.10646	46.9
193.08566	2.6
201.05428	5.4
202.05745	4.4
207.10081	3.0
209.11693	47.8
214.18738	2.1
219.06511	6.7
220.06773	4.1
227.12743	100.0
228.13130	3.1
233.07993	3.4
234.08392	2.3
245.13835	4.0
247.05956	2.1
248.06436	2.5
269.13821	9.5
271.13245	3.5
289.14270	3.7
299.12711	3.6
308.09579	1.7
309.13171	1.9
317.13699	5.0
335.14807	8.7
345.14212	1.6
353.11520	2.6
353.15887	40.6
354.16342	1.8
371.16962	26.2
389.17929	3.1
454.35910	1.4
489.22623	1.5
494.19183	2.7
525.22937	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38426	2.4
51.36345	2.2
52.46335	2.5
55.01858	10.3
55.05499	9.6
57.03413	7.5
57.07077	4.1
60.18832	2.5
61.02908	2.9
67.05499	17.0
69.03416	24.8
69.07045	19.4
70.71625	8.6
71.04985	15.6
73.02902	7.6
79.05490	18.6
81.03402	30.8
81.07052	42.3
82.07355	3.0
83.04958	12.9
83.08605	6.1
85.02890	24.0
85.06534	12.9
91.05460	17.2
91.65308	2.5
93.07029	43.8
95.04940	8.9
95.08590	33.8
96.08891	5.4
97.02864	19.0
97.06532	16.4
97.10152	2.9
98.21432	3.3
99.04449	14.5
99.08073	12.9
100.08397	2.8
101.05993	8.4
101.56096	2.5
105.07025	33.9
107.04937	6.2
107.08583	62.3
108.08895	7.8
109.02867	30.3
109.06503	14.2
109.10145	12.4
111.04486	3.8
111.08067	15.5
113.06021	6.1
113.07124	2.9
117.06950	4.5
119.04959	2.9
119.08549	15.5
121.06503	19.6
121.10130	73.3
122.10458	14.4
123.04414	5.0
123.08080	5.7
123.11720	2.7
125.06012	3.4
125.09623	3.1
127.03906	31.9
127.07510	3.6
131.04866	3.4
131.08565	6.3
133.04958	4.2
133.06407	3.5
133.10130	5.3
135.08009	10.4
135.11674	17.0
136.11980	3.7
137.05969	58.8
137.09636	4.6
137.13216	3.1
139.03856	3.3
139.07462	3.8
139.11143	2.9
145.04938	4.8
145.06564	3.1
145.08551	7.4
145.10101	28.0
147.04430	6.4
147.07985	7.2
147.11646	8.2
149.09642	17.9
149.13232	6.9
151.03888	8.2
151.07497	8.4
153.01816	12.7
161.05978	6.4
163.07492	10.4
163.11153	81.2
165.05496	2.6
165.09096	3.9
165.12817	3.2
167.07043	9.5
167.10654	29.4
169.08580	35.3
169.09926	4.3
173.09555	10.3
173.13271	2.9
175.07475	6.3
175.11148	3.9
177.16354	57.0
178.16698	59.5
179.03418	5.2
179.06914	2.9
181.08534	6.9
181.12195	19.0
181.15823	2.6
185.11697	6.1
187.05995	7.8
191.10643	46.3
191.14357	4.6
193.12129	5.2
195.17438	12.9
196.17812	12.7
205.08630	3.5
209.11707	41.1
209.15312	7.0
213.18468	31.3
214.18825	37.6
217.12132	7.0
223.09497	2.8
227.12746	100.0
235.13258	4.5
245.13780	6.4
253.14301	8.4
255.12105	2.8
269.13849	3.3
303.08521	4.4
305.12610	3.0
315.12491	2.5
317.13715	6.1
335.14655	10.4
335.18433	3.5
353.15845	28.7
371.17038	17.6
401.93985	2.8
415.19443	3.5
433.21658	3.0
494.18997	4.3
525.22949	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	3.8
57.72158	1.3
61.02936	1.5
63.98888	1.6
69.03432	2.0
69.63187	10.7
73.02900	1.3
85.02902	2.8
97.02875	7.6
98.20937	4.1
98.21543	2.0
98.97570	27.9
116.98607	29.4
119.01931	4.0
134.99638	19.5
137.02986	1.3
153.00719	3.2
175.75298	1.3
177.00868	6.8
178.01120	1.5
179.00758	2.4
188.00304	1.4
213.70419	1.2
219.01981	7.8
220.02028	2.0
221.01775	2.7
231.18202	1.4
234.99991	7.9
235.99864	1.9
240.98932	5.2
243.02014	2.2
258.99823	50.0
260.00043	3.1
261.00183	3.4
261.03094	17.1
262.03192	6.2
263.02960	5.8
274.97845	4.9
276.98087	2.3
277.00870	68.3
278.01126	6.2
279.00873	2.2
282.01639	1.7
282.99942	21.4
284.00146	4.8
284.99966	3.5
292.99063	3.2
298.97754	2.3
299.97888	2.7
300.02484	3.0
301.01004	42.3
302.01041	7.0
303.00983	5.4
316.98871	6.7
317.99023	3.8
318.98538	1.5
319.02045	3.0
332.98251	1.4
340.98972	1.9
349.94113	1.5
356.97308	3.1
359.00064	14.9
360.00256	1.9
364.98874	3.8
382.99872	17.6
397.94727	1.7
401.01093	100.0
402.01248	10.4
419.02197	9.3
424.02405	7.0
441.00565	1.7
441.99124	2.1
443.02222	4.5
444.02328	3.6
445.02008	2.3
460.00330	3.0
478.90820	2.0
482.93958	1.9
483.02832	6.2
491.96121	2.0
501.91443	1.6
507.00473	1.7
513.93018	1.8
519.91565	5.1
525.01270	85.1
526.01685	9.1
527.01508	2.1
537.92664	5.4
538.92615	2.2
548.02386	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10075	1.8
53.03936	2.1
55.05490	11.0
57.03418	11.9
57.07067	12.0
59.05005	2.7
67.05493	100.0
68.05842	2.0
69.07066	9.9
69.81219	11.9
71.04978	3.1
71.08623	4.0
77.07605	1.7
79.05479	19.4
81.03397	4.4
81.07047	40.6
82.03747	2.3
82.07384	1.9
83.04996	2.1
83.08627	8.6
85.10162	3.0
91.05455	13.9
93.07021	26.6
95.04957	5.4
95.08601	31.6
97.10147	3.2
97.44331	1.9
104.61570	1.7
105.07017	11.4
107.08553	12.7
109.10136	68.1
110.10394	1.8
111.08038	3.6
117.07024	2.5
119.08546	10.9
120.36345	1.8
121.10127	14.4
123.11669	4.0
131.08528	4.6
133.10103	4.9
135.11688	6.5
145.10089	3.8
147.11668	5.8
149.13196	4.8
155.10608	3.8
159.11671	2.5
163.14874	1.9
172.88167	1.7
173.11746	16.5
173.13182	3.1
175.14835	3.1
193.12230	3.2
211.13269	2.8
229.14313	71.7
243.20847	2.9
261.21957	12.6
268.16150	2.8
303.58383	1.9
317.24460	2.4
321.34607	1.8
335.25717	70.1
336.26093	2.1
345.90845	1.7
346.53796	1.6
378.65933	1.6
394.51123	1.7
443.35141	5.6
461.36035	3.5
470.09033	1.9
489.28906	2.6
489.35730	45.1
524.40240	19.2
550.23688	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3705
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05498	1.0
56.05024	0.8
57.03442	0.6
57.07067	5.1
58.06598	1.2
58.07393	0.5
60.08156	16.7
63.40783	0.3
67.05495	2.4
69.07056	1.2
71.07371	5.3
71.07809	0.8
71.08614	2.9
72.81688	0.3
79.05486	1.0
81.03404	2.2
81.07047	2.7
82.03741	0.4
82.07401	0.4
83.04968	0.6
83.08611	1.9
85.02869	0.4
85.10178	2.0
85.43737	0.3
86.09692	49.1
91.05464	1.0
92.20892	0.3
93.06996	0.5
95.04966	0.7
95.08586	2.7
96.05287	0.4
98.98452	2.9
104.10726	100.0
105.06998	0.9
105.11044	0.6
107.08568	0.6
109.10149	1.2
111.08028	0.4
119.08566	0.8
120.55625	0.3
123.11695	0.6
124.99986	26.4
126.00360	0.3
147.11661	0.4
147.96457	0.3
157.10104	0.6
163.01460	0.6
166.02638	0.3
181.08632	0.3
184.07310	97.9
185.07681	0.5
193.12219	1.7
194.12556	0.9
211.13268	1.0
212.13637	0.6
240.23891	0.4
251.57039	0.3
258.10999	1.0
262.64322	0.3
266.40860	0.3
267.15881	1.0
268.16229	0.7
313.27249	0.6
314.27701	1.4
341.30411	1.6
360.16150	0.3
376.78781	0.3
447.28452	0.4
506.35834	9.4
524.36871	44.7
525.37018	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.01850	4.2
55.05489	7.7
57.03415	6.9
57.07057	4.0
58.62202	1.6
61.02887	2.1
67.05489	10.4
67.41730	1.8
69.03416	10.5
69.07056	14.6
70.60857	4.0
71.01334	2.4
71.04964	7.3
72.04475	3.1
73.02900	10.0
79.05480	10.7
81.03378	4.1
81.07045	31.0
82.07371	2.4
83.04940	3.9
83.08594	10.3
83.09023	1.9
84.85925	1.5
85.02892	33.6
85.06510	7.1
91.05464	10.5
93.07024	29.9
94.07367	3.2
95.04948	7.2
95.08585	57.8
96.08912	2.9
97.02869	15.1
97.06491	4.6
97.10135	3.1
99.04418	3.3
103.05423	3.8
105.07022	14.0
107.04939	5.1
107.08574	52.6
108.08911	3.3
109.02856	6.6
109.06503	3.9
109.10138	17.2
111.04421	3.5
111.08027	3.3
114.08997	1.9
115.03895	4.8
117.07009	1.6
119.08541	6.3
121.02839	12.9
121.06499	4.4
121.10125	92.2
122.03168	5.0
123.11688	34.1
124.12023	3.1
125.09598	2.8
127.03919	8.9
129.05455	4.8
129.06984	3.3
131.04889	8.4
133.04912	11.9
133.06451	3.2
133.10143	2.9
135.08063	3.1
135.11655	21.9
136.11984	2.4
137.05959	31.7
137.09547	3.0
137.13235	26.8
138.06439	1.8
139.03812	2.7
139.11139	8.2
141.06955	2.2
143.04893	1.8
145.04939	12.1
147.04369	5.0
149.05896	5.1
149.13228	11.7
151.03859	3.2
151.07524	12.0
151.11176	2.0
153.01813	3.8
153.05405	2.8
153.12697	2.9
157.06462	3.3
159.08049	1.8
160.05206	1.8
161.06021	8.0
161.09575	2.9
162.06691	2.2
163.05984	9.8
163.07507	11.6
163.11163	1.8
165.05475	1.9
165.09038	3.0
166.08630	2.8
167.07001	9.1
168.07759	2.5
169.06546	1.8
173.05975	2.1
175.07515	6.0
175.14795	1.6
177.05405	5.3
177.09163	1.7
177.16356	100.0
179.06990	5.0
181.04843	2.3
181.08501	2.9
181.12111	1.7
187.07423	2.6
189.09079	6.2
191.06938	6.2
191.10638	3.9
193.08607	3.1
195.13713	2.9
195.17412	30.8
199.07510	2.7
203.06894	2.3
207.10097	5.0
213.23653	1.7
217.08658	3.1
219.10077	4.1
223.06116	2.2
226.04681	1.6
229.08591	2.8
239.10640	1.7
240.20313	2.1
241.06892	3.5
243.10065	1.8
249.11111	1.8
251.20116	1.5
259.07947	8.2
262.16150	1.7
284.08237	1.9
290.25488	1.9
295.09915	7.8
299.12512	2.1
306.52063	1.6
307.11722	10.3
308.26480	3.0
309.43198	1.7
326.27460	2.6
331.15231	4.1
344.15640	1.9
362.16751	2.1
369.13348	2.9
381.77692	1.9
441.84271	1.7
524.26740	3.9
525.22589	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01848	3.0
55.05503	6.5
57.03428	6.2
57.07060	4.1
61.02893	2.3
65.03939	1.1
67.05489	8.5
69.03410	10.1
69.07053	13.4
70.99249	1.7
70.99578	1.5
71.04961	4.5
72.04491	1.6
73.02901	6.9
79.05480	7.5
81.03391	3.3
81.07040	22.2
82.07381	1.6
83.04954	3.1
83.08597	9.9
85.02884	25.3
85.06525	3.0
87.04446	1.8
89.71318	0.9
91.05454	7.3
93.07028	23.9
94.07352	1.4
95.04951	3.2
95.08585	52.2
96.08946	1.8
97.02862	11.0
97.06493	2.7
97.10159	2.6
99.08071	1.4
103.03958	0.9
103.05438	3.6
105.07014	6.8
106.07346	1.1
107.04943	2.3
107.08572	48.1
108.08921	1.9
109.02847	2.5
109.06496	2.7
109.10123	15.8
110.10516	1.2
111.04386	2.0
111.08030	2.3
113.05998	1.1
115.03919	6.2
117.06973	1.8
119.04937	2.2
119.08569	3.5
121.06496	2.4
121.10119	84.0
122.10416	2.1
123.08028	1.6
123.11678	30.5
124.11995	1.3
125.09598	2.6
127.03893	10.3
129.05455	2.7
129.06952	1.2
131.04877	4.6
133.04945	10.5
133.06480	2.6
133.10110	1.9
135.11664	21.0
137.05954	20.0
137.13216	24.4
139.11143	8.7
143.08588	1.2
145.04924	11.9
145.08588	1.2
147.04369	4.5
147.06438	1.1
149.05910	1.5
149.13248	10.6
150.07600	1.6
151.03796	1.6
151.07521	7.0
157.06435	1.2
159.08121	1.1
159.11673	1.3
161.05940	3.5
161.72412	0.9
162.06422	1.2
163.05994	10.7
163.07498	10.6
163.11124	1.3
165.09044	2.8
167.07011	8.5
175.07561	4.8
177.05423	4.4
177.16353	100.0
178.16664	1.7
179.06995	3.3
181.08627	1.9
182.09352	1.0
183.08009	1.8
187.07454	1.0
189.09061	2.6
191.07008	4.1
191.10680	1.4
193.08615	1.9
195.13771	2.0
195.17412	37.2
199.07704	1.2
201.09052	1.7
203.06940	1.5
207.10133	2.9
213.14716	1.5
215.10675	1.3
217.08647	2.7
219.10016	1.8
221.07957	2.0
223.05940	2.2
227.12953	1.4
229.08568	2.1
233.07893	1.3
241.07060	2.6
252.07809	1.1
253.14323	1.2
259.07864	7.2
280.69388	1.0
289.10577	2.4
290.25525	1.5
293.13965	1.4
295.09964	9.5
307.11682	9.1
308.26501	1.8
331.15314	3.2
362.16806	1.6
524.26447	1.8
525.22894	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97595	0.8
52.09261	0.8
55.01858	3.3
55.05490	5.1
57.03437	4.8
57.07056	1.5
67.05475	3.2
69.03424	7.7
69.07050	7.7
69.35558	9.0
71.01339	0.8
71.04980	3.6
71.08607	0.9
73.02903	5.7
79.05465	2.6
81.03399	2.4
81.07045	11.5
83.08606	6.0
85.02892	16.6
85.06511	3.1
87.04453	1.1
91.05448	2.2
93.07033	10.4
94.45742	0.9
95.08591	21.4
97.02886	8.2
97.06508	1.5
97.10139	3.5
98.20702	2.0
99.04411	2.4
99.08081	13.0
103.03923	1.0
105.06999	3.8
107.04920	1.1
107.08583	21.5
109.02864	2.8
109.06484	1.7
109.10166	6.3
111.08067	5.4
112.82693	1.1
113.09644	1.2
115.03919	3.5
115.82381	0.9
118.42764	0.9
119.08558	1.0
121.10130	38.5
123.08056	1.4
123.11691	2.3
125.09620	4.1
127.03886	5.2
131.05020	1.0
133.04973	4.8
133.10130	1.6
135.11658	7.4
137.05946	5.2
137.13219	4.7
139.11118	1.5
142.90251	0.9
145.04910	4.1
145.10112	1.5
147.04340	0.9
149.13245	3.4
150.09174	1.1
151.03833	1.7
151.07558	1.0
153.01768	3.4
161.05931	2.5
162.05334	1.1
163.06102	2.1
163.07451	1.1
163.11169	4.1
167.07059	1.6
167.10666	1.6
169.08632	1.1
175.07431	1.0
177.16364	100.0
181.08536	1.4
190.04927	1.7
191.10641	2.1
193.08485	2.5
195.17416	25.1
209.11758	1.6
210.11227	1.2
213.18459	55.9
227.12703	4.6
259.08081	1.4
331.15256	1.1
345.22488	1.4
353.15784	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01868	0.9
55.05499	1.2
56.05820	0.7
57.03431	1.9
67.05495	2.3
67.24838	0.7
69.03410	1.7
69.07056	3.4
69.98779	1.1
69.99181	3.0
71.04984	16.1
73.02903	1.7
74.15111	0.7
75.04475	0.7
79.05477	2.6
79.47220	0.7
81.03401	1.3
81.07048	6.7
82.07383	1.4
83.04967	2.2
83.08611	0.9
83.30925	0.6
85.02891	14.7
85.06537	2.1
91.05474	3.7
93.07036	5.0
94.07347	0.9
95.04939	1.3
95.08593	4.2
96.08915	1.7
96.26350	0.8
97.02849	1.1
97.06504	1.3
99.04459	0.6
99.08082	1.4
103.05475	5.2
105.07021	2.2
107.04965	1.2
107.08562	4.7
109.02879	1.0
109.06506	1.1
109.10130	2.8
110.10469	1.0
111.04429	0.8
111.08078	0.9
115.05441	1.3
117.06998	3.1
119.04933	2.0
119.08529	2.2
121.02864	0.9
121.06474	1.2
121.10125	3.1
122.03638	1.2
123.08076	1.4
123.11687	1.8
124.12109	1.2
127.03869	1.9
128.06218	0.8
129.05453	3.2
129.06926	1.2
131.04906	13.2
133.06467	1.0
133.10062	1.4
135.11711	1.7
136.62976	0.9
137.05960	33.2
137.09564	1.3
138.06322	1.2
143.08553	1.5
145.10120	1.1
147.04416	1.1
147.06479	0.9
147.11676	1.6
149.05888	1.0
149.13251	1.4
151.03954	0.9
151.07518	11.6
153.01802	1.8
153.12743	0.8
157.06380	1.2
161.05931	3.5
162.06741	2.2
163.07523	35.6
163.11201	2.3
164.07867	1.3
164.15172	0.8
165.09106	3.6
165.12695	1.1
166.09473	1.0
167.07062	2.5
168.07344	1.0
169.08582	1.1
171.08047	1.5
175.07544	7.6
175.14790	1.0
177.09087	100.0
177.16322	1.4
179.06931	1.1
181.04922	0.8
181.12219	0.8
183.08006	1.0
189.09097	2.9
190.16489	0.6
191.06963	1.1
191.10622	1.7
191.14236	1.2
195.08119	0.7
195.10176	4.2
197.89804	0.7
199.07457	1.0
199.22005	0.8
203.10629	3.4
205.08420	0.7
209.11636	0.9
209.15257	0.8
211.16743	0.7
212.17039	0.8
219.10101	1.0
221.11697	18.2
222.12283	0.7
227.10641	1.2
227.12741	2.0
229.17975	1.5
230.18298	1.9
233.11693	0.8
235.07423	0.7
249.11444	0.8
255.10152	2.0
265.08704	0.9
267.09967	0.9
285.11270	0.7
287.12769	1.7
290.25647	1.0
297.11176	0.8
299.12802	1.7
308.26660	1.6
311.12766	2.6
313.14093	1.4
323.12766	1.0
325.14261	0.9
326.27490	1.3
331.15399	9.4
343.15396	5.6
349.14435	0.9
353.15900	1.1
355.15308	1.9
357.16855	0.8
367.15445	3.8
371.16980	1.2
385.16278	3.2
394.05453	0.7
397.16516	1.2
406.18045	0.8
423.18143	1.6
441.18747	2.0
524.19946	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73452	0.9
55.05514	1.5
57.03421	2.9
57.07068	1.0
67.05486	2.9
69.03407	3.5
69.07053	4.9
70.16306	4.7
71.04982	13.3
73.02908	1.8
79.05471	3.3
81.03397	1.9
81.07040	7.9
82.07365	1.3
83.04964	2.3
83.08608	1.5
85.02894	15.7
85.06530	2.8
85.83586	0.9
88.04648	0.9
91.05468	3.9
93.07015	5.8
94.07343	1.7
95.04967	1.0
95.08595	8.6
97.02887	1.5
97.06539	1.4
97.10134	1.0
99.04485	1.2
99.08084	1.3
103.05453	4.8
105.07033	3.2
107.08578	5.0
108.08880	1.2
109.02871	1.8
109.06512	1.3
109.10168	3.5
110.10472	1.4
111.08062	1.3
117.06976	1.6
119.04940	1.2
119.08537	2.6
120.08903	1.0
121.02832	1.2
121.06518	1.7
121.10133	7.2
122.03670	1.5
122.10458	1.3
123.11674	3.0
124.12009	1.1
125.09647	1.4
127.03901	2.1
127.11167	1.1
129.05461	3.9
129.09106	1.1
131.04912	14.3
133.04881	1.0
133.10115	1.9
135.08066	1.4
135.11636	3.2
136.12004	2.0
137.05952	34.3
137.09526	1.0
143.08574	1.3
145.10031	1.2
147.04395	1.1
147.11647	2.8
148.12015	1.4
149.09575	1.8
149.13243	2.1
151.07538	8.5
153.01819	3.5
154.02185	1.1
161.05954	3.7
161.09738	1.0
162.06699	1.3
163.06116	2.0
163.07515	39.4
163.11157	2.7
163.14781	2.0
165.09117	4.2
165.12776	2.1
166.09441	1.6
167.07036	1.3
171.08093	1.3
175.07516	4.6
177.09079	100.0
177.16302	4.9
181.04955	1.0
183.08145	1.0
184.43967	0.9
189.09102	2.2
191.06923	1.4
191.14359	1.4
195.08331	1.0
195.10109	5.0
195.17273	1.1
203.10635	2.6
205.08411	1.0
209.11659	1.9
211.16930	1.3
212.17235	1.3
219.10199	1.4
221.08073	1.2
221.11690	21.3
227.12773	1.2
229.17955	2.6
230.18269	2.7
237.18697	1.0
253.08537	1.1
255.10248	1.6
265.08463	1.2
285.11234	2.1
287.12683	1.3
290.25607	1.6
299.12637	1.6
308.26532	1.9
311.12701	3.0
313.14352	1.2
316.65631	1.0
321.11310	1.0
323.12814	1.5
326.27908	1.4
331.15375	8.2
335.12991	1.2
343.15344	4.8
355.15384	1.9
367.15289	4.2
371.17120	1.0
375.35672	1.0
385.16296	3.2
405.17181	1.2
423.17807	2.3
441.18976	1.1
524.19952	1.6
537.81372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.0
55.05491	3.0
57.03428	5.7
59.04978	2.4
67.05492	5.0
69.03417	10.2
69.07050	8.6
70.91570	5.1
70.91942	5.1
71.04984	41.5
79.05486	8.1
81.03398	7.2
81.07043	16.6
82.07389	3.8
83.04960	5.9
85.02894	43.8
85.06544	3.1
86.03232	3.6
91.05472	13.2
93.07030	16.1
93.70733	2.4
95.04966	6.5
95.08602	12.1
96.08938	3.4
97.02881	5.8
97.06537	8.1
99.04415	3.0
103.05468	8.7
104.05759	2.8
105.07018	10.7
107.04927	8.7
107.08595	15.8
109.02858	6.6
109.06507	8.9
109.10154	10.7
117.06989	4.7
119.04182	2.5
119.04922	13.9
119.08595	6.8
121.06471	10.6
121.10139	13.3
122.10429	3.2
123.04431	2.9
123.08082	3.4
123.11700	5.4
125.05977	2.6
127.03899	7.2
129.05493	14.6
129.06973	5.8
131.04913	24.5
131.08549	2.5
132.05244	9.6
133.06435	3.0
133.10118	24.5
134.10452	13.6
135.08031	7.8
135.11679	3.8
137.05972	62.7
137.09605	11.6
138.09917	6.4
139.18553	2.6
143.06975	2.4
146.08144	2.9
146.10486	2.5
147.04408	5.0
147.06499	7.1
147.11658	8.0
149.05992	11.0
149.13252	4.5
151.03928	2.5
151.07526	60.4
153.01778	19.6
154.02141	8.4
157.06499	5.7
157.10123	3.4
161.05994	11.4
162.06575	2.8
163.07506	37.3
164.07883	8.0
164.09172	8.4
165.05472	4.6
165.09088	4.1
167.07037	8.4
167.08453	3.5
174.06714	5.2
175.07571	7.9
175.11124	3.4
175.14717	2.8
177.09097	18.5
177.16376	9.8
178.09357	3.4
179.07010	6.5
187.07507	3.0
188.07593	2.8
189.09053	19.9
191.07007	3.1
191.10620	2.9
191.14352	8.3
192.14668	9.7
193.06532	2.5
193.12219	4.9
195.08054	12.6
195.10033	4.0
195.17439	3.8
197.08142	4.1
199.11168	3.0
211.13208	2.8
215.49547	2.7
217.12231	7.8
221.06029	5.4
221.09703	4.6
223.07462	4.5
225.09048	5.2
225.14845	3.2
227.10634	19.0
235.13290	9.6
241.45213	2.5
249.09190	3.8
253.08510	8.0
253.12100	7.8
253.14403	9.3
255.10182	15.8
279.08887	2.7
285.11230	11.5
287.12790	33.1
290.25586	3.8
313.14291	19.1
331.15363	100.0
343.15503	5.2
355.15121	2.9
367.15421	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01866	1.2
55.05517	2.1
57.03431	1.4
58.99570	5.0
65.64664	0.8
67.05498	2.4
69.03422	3.1
69.07066	2.5
70.06571	2.6
71.04973	2.1
71.62605	1.2
73.02911	2.1
76.02227	8.1
79.05495	2.0
80.02860	0.8
81.03405	1.9
81.07040	4.4
81.38686	0.8
83.08611	1.6
84.04488	2.0
84.08097	1.1
85.02898	3.5
85.06522	1.9
86.99036	2.5
91.05479	3.3
93.07030	3.4
94.07315	0.9
95.04942	1.4
95.08607	3.0
97.02866	1.9
97.06518	0.8
99.04424	0.9
99.08083	1.7
103.05514	0.9
105.00095	3.8
105.07026	3.4
107.08590	5.1
109.02856	2.1
109.06531	1.3
109.10144	4.2
109.62001	1.0
110.10471	1.4
111.08138	1.2
112.07560	2.1
113.09657	0.9
115.05431	11.2
116.06205	1.0
117.07015	3.0
119.08560	1.9
121.10145	3.8
122.01842	1.5
122.02712	29.3
122.03562	1.9
123.11745	1.2
124.03953	3.9
127.03924	1.7
128.06218	1.8
129.05444	1.0
129.06979	9.1
130.04967	1.0
131.04918	2.9
131.08583	2.2
132.05779	1.0
133.06534	1.2
133.10080	1.6
135.11690	1.5
137.05943	4.4
137.09612	1.5
138.09096	1.1
139.07579	0.8
140.03462	1.7
140.07063	1.2
141.03304	1.0
143.04913	3.8
144.05667	4.3
145.06522	1.5
145.10077	1.2
146.07246	1.1
147.08017	2.5
147.11713	1.8
149.06070	1.4
151.03893	12.0
151.05022	0.7
151.07530	1.6
153.01816	2.8
157.06493	2.7
158.07233	1.9
159.04384	3.4
160.05170	32.0
161.05933	2.8
161.09578	2.3
163.04028	1.1
163.07585	2.3
165.09099	2.8
165.12704	1.2
167.07019	2.5
169.12227	0.9
173.05957	4.5
174.06754	22.2
174.93405	0.8
175.07523	100.0
176.07921	1.9
177.05563	0.9
177.09097	3.8
177.16385	5.9
178.09390	1.2
179.03456	4.7
181.04893	1.2
189.09094	6.7
191.06952	5.6
193.08594	3.9
194.08958	2.0
195.17404	1.0
201.05373	97.9
202.05704	1.2
203.07159	0.8
205.04807	1.0
207.10188	1.5
208.06146	1.0
208.10336	0.9
213.18510	3.3
219.06493	86.5
220.01097	0.9
220.06912	2.0
220.10442	0.8
233.08049	73.6
247.05989	43.4
249.05408	1.1
250.06419	1.8
261.07629	3.0
264.07803	3.2
265.08527	1.7
268.08096	2.9
292.07278	3.2
293.08060	2.8
303.04776	1.2
307.09589	5.9
314.80283	0.9
325.10617	2.4
353.10080	9.4
374.13544	1.1
423.95062	0.8
462.21036	1.8
492.17462	1.5
524.20361	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01854	1.3
55.05502	12.4
57.03429	7.6
57.07067	29.2
64.22350	0.8
65.03933	1.2
67.05496	21.0
69.03409	2.3
69.07053	8.6
69.94276	2.9
69.94690	1.6
71.04962	2.2
71.08620	24.4
75.44064	0.7
79.05475	12.4
81.03408	42.3
81.06570	1.4
81.07043	26.4
83.04972	5.2
83.08614	18.9
85.02888	12.0
85.06503	1.8
85.10168	14.0
89.06015	0.9
91.05467	13.9
93.07027	6.7
95.04958	14.6
95.08596	22.6
97.06522	2.3
97.10133	6.0
98.20828	1.6
98.21420	1.6
105.07015	10.1
105.65025	0.8
107.04949	2.9
107.08571	3.5
109.06528	2.0
109.10136	10.6
111.04409	1.4
111.08059	5.6
111.11649	1.2
113.06010	1.4
113.13312	1.0
115.76022	1.0
116.94390	0.9
117.07002	0.8
119.08570	9.6
121.06510	0.8
121.10130	5.5
123.08047	0.9
123.11678	3.4
125.05914	0.9
129.07004	5.4
131.07693	0.8
131.08522	5.1
133.10098	3.6
137.13202	1.1
142.07800	1.3
145.10094	1.3
147.08006	1.4
147.11674	6.5
149.09599	1.7
157.10138	5.3
157.11275	0.9
163.11137	1.0
165.12822	1.2
175.11166	8.4
193.12236	33.0
211.13266	31.2
221.22615	1.2
239.23694	5.4
249.14780	1.0
267.15884	27.2
267.18549	1.7
291.34729	0.9
313.27332	26.2
314.27802	1.2
356.69672	0.8
505.38715	15.7
523.39874	100.0
524.40118	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	523.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01860	0.7
55.05503	7.0
57.03428	3.2
57.07067	22.6
62.67871	0.5
67.05497	13.8
69.03409	1.4
69.07060	6.5
69.21535	0.5
70.18649	1.8
71.04984	1.7
71.08619	15.9
79.05485	7.8
81.03409	21.7
81.07044	19.0
83.04967	4.5
83.08134	1.0
83.08607	15.6
85.02414	0.9
85.02895	11.9
85.06519	1.1
85.10167	8.1
91.05463	9.6
93.07027	5.6
95.04953	9.2
95.08595	13.7
97.02879	1.6
97.06499	1.0
97.10139	3.9
98.21487	0.6
99.08083	0.7
99.11715	0.8
105.07023	6.4
107.04937	1.5
107.08598	2.5
109.06525	1.2
109.10135	7.3
111.04424	1.3
111.08068	4.5
113.05933	1.5
117.07005	0.6
119.08559	6.1
121.06457	0.6
121.10122	3.0
123.11700	3.8
125.13242	1.0
129.06982	3.1
131.08571	3.5
133.06505	0.8
133.10106	2.0
137.13255	1.0
147.07986	1.2
147.11665	4.2
149.09625	1.6
151.75613	0.5
157.10129	4.6
159.43933	0.5
165.12708	1.4
175.11180	6.1
177.66971	0.5
193.12222	24.9
194.12447	0.6
211.13264	29.8
212.13536	0.7
221.22697	0.6
239.23721	3.7
249.14893	1.2
267.15903	6.2
313.27292	4.7
365.90295	0.6
381.39285	0.5
505.38824	2.9
523.39886	100.0
524.40265	6.6
539.97729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
51.75909	0.3
53.03931	1.5
55.01853	1.1
55.05502	10.4
56.64220	0.4
56.87286	0.4
57.03432	5.2
57.07067	29.7
59.56125	0.4
63.17788	0.4
65.03929	0.9
67.05494	20.4
69.03407	1.6
69.06710	0.6
69.07053	7.0
69.55755	2.9
71.04986	2.5
71.08621	18.8
79.05481	12.0
81.03404	26.9
81.07044	22.8
83.04974	5.6
83.08604	17.8
85.02890	13.0
85.06538	1.5
85.10172	11.1
91.05468	13.8
93.07028	7.3
95.04952	11.0
95.08594	21.2
97.02901	1.0
97.06491	2.1
97.10144	5.7
98.20802	0.5
99.08078	0.6
99.11699	0.6
104.06028	0.4
105.07018	9.3
107.04951	2.3
107.08582	3.5
109.06490	2.0
109.10142	8.5
111.04417	1.3
111.08056	5.3
111.11704	1.0
113.05978	1.6
115.05455	0.6
118.43945	0.4
119.07773	0.7
119.08569	7.5
121.06502	0.8
121.10113	4.6
123.08060	0.9
123.11683	3.7
125.09626	0.8
125.13238	0.5
129.06985	4.8
129.09058	0.4
131.08530	3.9
133.06468	1.3
133.10103	3.7
135.11714	0.4
137.09563	0.5
137.13205	1.1
142.07721	1.2
145.10091	0.8
147.08037	1.2
147.11674	6.6
149.09631	2.4
151.14754	0.5
152.80020	0.4
157.10107	4.7
158.10451	0.6
165.12727	1.2
175.11177	6.9
193.12210	29.2
205.94576	0.4
211.13255	33.5
212.13614	0.7
221.22401	0.4
239.23663	4.7
249.14850	0.9
267.15878	7.7
267.18570	0.7
285.16956	0.6
313.27353	9.7
319.80173	0.4
463.18231	0.4
487.36310	0.4
505.38922	4.8
523.39874	100.0
524.40289	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	523.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.2
57.03421	6.7
57.07066	7.0
59.04985	2.4
62.27102	1.8
63.56440	1.9
65.03946	2.9
67.05496	24.5
69.03423	9.0
69.07057	37.5
69.07403	3.2
70.07330	10.7
70.14243	2.2
71.04980	7.8
73.02911	2.4
79.05484	32.8
81.03413	5.3
81.07044	100.0
83.04974	8.3
83.08610	11.9
85.02888	13.0
85.06533	6.1
91.05456	15.6
93.07031	37.8
95.04964	5.1
95.08590	64.0
97.02902	3.7
97.06506	10.1
97.10162	5.7
99.04461	2.4
99.08078	5.1
103.05469	3.7
105.07018	21.2
106.90076	2.3
107.08574	34.7
109.02849	4.1
109.06509	7.0
109.10143	57.2
110.10482	3.0
111.08074	5.8
111.11723	5.9
115.07553	5.8
117.06985	2.4
119.08570	18.9
121.06467	3.2
121.10135	30.8
123.08022	5.3
123.11697	19.0
127.03912	8.2
127.07539	5.0
127.11172	2.1
131.04909	6.9
131.08569	7.5
133.08586	6.5
133.10100	14.7
134.10359	2.2
134.11446	2.1
135.11659	42.8
137.05975	15.3
137.09596	15.2
137.13243	22.9
139.11188	5.6
145.06648	2.3
145.10100	5.3
147.11673	21.6
149.09618	3.4
149.13239	14.5
151.07477	4.1
151.09648	11.7
151.11191	6.0
151.14778	3.8
153.12712	11.0
155.10680	6.0
155.14323	10.1
159.08150	2.1
159.11702	6.9
161.13243	7.7
163.07561	6.3
163.11156	3.3
163.14827	4.1
165.09074	5.5
165.12744	14.1
167.07037	8.3
167.14432	2.2
169.12271	2.9
171.13797	5.6
173.13249	4.5
175.07581	2.5
175.14848	10.4
176.15170	3.7
177.16357	6.8
179.07098	2.3
179.14236	3.3
181.08609	2.4
181.12230	3.3
182.79178	2.0
187.14804	3.6
189.12775	2.6
189.16379	3.9
191.14293	3.3
191.17902	3.0
193.15906	8.1
194.16273	6.5
201.16510	2.8
203.17970	2.6
207.13753	2.7
211.16975	4.0
215.17957	2.6
229.14359	7.7
229.17938	3.2
255.09802	2.0
258.37854	2.1
271.24091	11.8
277.25323	3.5
281.24527	2.6
289.25238	24.3
294.14520	1.9
302.20886	2.0
307.26318	20.6
325.27255	12.8
337.16269	3.6
343.28207	4.6
355.17542	3.1
500.83698	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01863	2.6
55.05497	14.0
57.03424	3.2
57.07058	5.3
59.04993	1.3
61.02916	1.4
65.03954	1.0
65.44067	0.9
65.86908	0.9
67.05496	28.1
69.03423	5.0
69.07057	27.0
70.28091	2.5
70.28496	1.2
71.04988	5.0
71.08583	1.0
73.02922	2.8
79.05482	17.5
81.03411	4.9
81.07043	100.0
82.07385	1.6
83.04933	4.9
83.08601	11.1
85.02898	10.8
85.06528	6.6
91.05450	9.6
93.06455	2.0
93.07030	35.3
94.07352	1.0
95.04970	6.2
95.08590	83.5
96.08966	1.4
97.02901	5.9
97.06522	9.1
97.10136	8.5
98.03222	1.0
99.04433	2.4
99.08075	3.0
103.05430	1.9
105.03365	1.4
105.07017	20.5
107.04950	1.1
107.08578	33.3
108.08933	1.2
109.02866	3.5
109.06497	5.6
109.10138	51.9
110.10522	1.5
110.41130	0.8
111.08060	5.1
111.11694	6.0
113.05991	0.9
113.09623	1.7
115.03928	2.1
115.07587	1.5
117.07006	2.2
119.04907	1.3
119.08564	17.4
120.08928	1.5
121.06473	2.0
121.10126	24.8
123.08071	3.5
123.11691	25.5
125.05981	1.0
125.09613	7.4
125.13214	1.1
127.03901	4.1
127.07521	1.5
127.11202	1.6
131.04893	1.9
131.08569	3.3
133.04836	0.9
133.06493	1.8
133.10101	13.8
134.10460	1.3
135.04466	1.3
135.08061	2.9
135.11678	23.2
136.12036	2.3
137.05962	13.2
137.09616	4.0
137.13228	9.4
138.06276	1.9
139.11205	5.3
140.06987	0.9
145.04993	1.3
145.06450	1.1
145.08691	1.5
145.10085	5.6
147.04378	3.4
147.08011	1.2
147.11664	11.0
148.12038	1.3
149.05968	1.4
149.09515	1.2
149.13235	21.6
149.14365	1.8
150.13541	2.0
151.03900	2.1
151.07509	2.2
151.11183	3.2
151.14799	4.0
152.25294	1.0
153.01814	2.2
153.05466	1.3
153.12743	3.0
155.10638	2.4
157.10130	1.6
159.11636	4.8
160.05183	1.4
161.05975	3.3
161.09561	1.2
161.13220	9.5
163.03882	1.0
163.07527	2.7
163.11150	1.4
163.14810	9.2
165.09074	4.2
165.12758	3.5
165.16258	1.1
166.12955	1.1
167.07022	5.6
167.73341	0.9
169.12202	2.0
171.11684	1.0
171.13860	1.0
173.13200	2.2
175.07530	2.1
175.11142	1.1
175.14775	9.3
176.15175	2.5
177.09091	1.4
177.16362	6.5
179.03465	1.3
179.07034	1.7
179.10675	1.0
179.14282	2.1
179.17920	1.7
181.04784	1.1
181.08572	1.0
181.12178	1.2
183.13779	1.2
185.13301	1.0
187.14835	1.7
189.12805	1.2
189.16353	4.1
191.06929	1.6
191.14220	1.3
191.17912	4.8
193.04893	1.1
193.08601	2.5
193.15802	6.7
194.16191	5.2
195.17455	1.6
196.82835	0.8
201.16319	1.6
203.07018	3.9
203.17934	2.7
205.19466	1.3
207.13879	1.3
211.13335	1.0
211.16882	9.2
212.17267	9.8
213.18370	1.3
215.17914	2.9
217.12383	1.1
218.12686	1.4
221.07997	1.2
221.18895	1.2
231.21132	1.1
235.13271	1.1
236.13666	1.0
239.19984	4.5
245.22598	1.8
251.06976	0.8
253.14330	1.4
254.14784	1.5
259.24222	2.6
271.24173	9.2
277.25201	7.6
289.18097	1.1
289.21954	1.7
289.25204	29.0
289.28299	2.0
290.25494	1.3
295.26291	9.2
307.26254	37.5
308.26349	1.0
325.27353	8.7
343.28452	2.0
361.29419	1.5
523.19250	1.2
523.28149	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01857	4.9
55.05505	15.0
56.10019	1.8
56.32603	1.9
57.03428	6.6
57.07055	6.4
59.04990	4.2
60.37295	2.0
61.02932	2.2
67.05492	23.0
69.03416	23.3
69.07058	28.4
69.48362	13.2
69.48768	3.5
70.06569	18.2
70.24945	2.1
71.04980	9.2
71.08591	2.3
73.02911	6.2
79.05484	14.5
81.03393	15.8
81.07043	46.4
83.04969	19.9
83.08591	16.1
85.02895	27.8
85.06538	14.9
87.04456	2.7
91.05460	11.5
93.07027	34.8
95.04949	12.0
95.08594	42.3
95.09167	4.1
97.02867	12.4
97.06523	13.9
97.10175	4.9
98.20792	5.1
99.04437	5.8
99.08077	5.2
101.06048	4.8
103.05444	3.2
105.07021	24.4
106.63599	2.3
107.08572	35.0
109.02888	12.2
109.06506	12.8
109.10143	46.9
111.08057	10.0
111.11702	3.6
113.05990	4.5
115.03881	2.5
117.07012	3.1
119.08559	15.8
120.08094	5.5
121.06503	16.3
121.10124	20.3
123.08066	5.8
123.11680	28.2
125.02350	3.6
125.05976	3.8
125.09639	8.2
127.03864	16.5
127.07513	4.0
127.11156	12.4
129.07024	2.6
131.04904	3.6
131.08510	5.7
133.04965	4.2
133.06490	3.4
133.10098	24.0
135.08066	6.3
135.11652	16.1
137.05957	20.2
137.09583	15.0
137.13225	4.9
139.07526	6.9
139.11116	6.3
143.06999	5.1
143.08586	4.2
145.04913	3.7
145.10106	6.3
147.08018	2.9
147.11674	21.5
149.09573	6.8
149.13222	16.8
151.07486	4.1
151.11176	16.2
153.01810	62.2
153.02832	2.2
153.12773	3.9
155.10652	4.2
157.09990	2.5
159.11638	4.6
161.05869	2.7
161.13185	6.1
163.03816	2.5
163.06000	2.0
163.07501	3.7
163.11145	2.6
163.14795	5.9
165.05370	2.0
165.12730	41.0
165.14099	3.4
167.07158	4.3
167.14305	10.7
169.12236	19.3
171.02858	8.6
171.11653	3.2
173.13176	4.1
175.07516	3.9
175.11166	9.5
175.14781	6.9
176.15134	2.4
177.09058	2.4
177.16380	3.9
181.04941	7.2
181.08661	3.5
183.13799	3.5
185.15308	8.2
189.12820	4.9
189.16461	2.5
191.14374	6.6
193.12236	6.3
193.15843	9.6
199.11127	4.7
201.16391	2.4
203.18002	3.6
205.06999	2.2
207.13809	3.6
209.15332	79.8
210.15681	5.3
211.13278	7.2
211.16879	46.8
215.17859	2.3
217.12178	14.9
221.19064	3.0
225.14827	5.9
229.15497	7.7
229.17937	100.0
235.13297	20.6
237.09250	2.4
239.20061	4.4
253.14290	32.7
271.15411	5.0
271.24146	8.8
277.25156	3.0
286.17371	2.1
289.25208	9.6
297.05972	3.6
307.26227	8.2
315.07108	5.4
325.27469	4.0
361.16837	2.7
379.17468	2.8
397.18384	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.0
55.01868	6.2
55.05502	16.5
57.03421	5.9
57.07054	4.0
59.04974	3.9
60.56511	2.4
61.02895	4.0
67.05499	23.5
69.03416	23.5
69.07063	27.0
71.04975	11.5
73.02914	6.6
79.05056	3.5
79.05477	28.2
81.03415	23.7
81.06574	4.3
81.07046	66.4
83.04964	23.1
83.08605	14.4
85.02895	26.7
85.06528	9.0
91.05457	20.2
93.07038	64.8
93.07623	5.6
95.04969	15.5
95.08037	5.2
95.08595	54.5
97.02877	14.9
97.06522	30.4
97.10150	4.7
97.97839	2.6
99.04446	17.5
99.08071	7.7
101.06007	5.7
103.05437	2.9
105.07009	37.1
106.07371	3.7
107.04934	7.9
107.08581	53.0
109.02865	31.2
109.06485	25.7
109.10147	44.0
111.04414	5.6
111.08089	20.8
113.05954	5.8
115.03908	3.9
117.06977	4.5
119.08560	30.7
121.06493	47.3
121.10114	25.9
123.08063	11.4
123.11694	19.3
125.05955	12.4
125.09602	9.2
127.03907	34.7
127.07577	13.6
127.08351	2.8
127.11166	7.2
131.04926	7.8
131.08569	7.1
133.10114	20.1
135.04417	5.7
135.08003	15.6
135.11649	15.9
137.05952	39.8
137.09599	7.3
137.13225	6.7
139.07532	18.0
139.11102	6.3
143.07030	10.2
143.08597	6.7
145.04968	4.0
145.10086	12.1
147.08051	4.7
147.11668	53.7
148.11957	2.8
149.09622	5.2
149.13225	11.3
151.07521	9.1
151.11169	8.3
153.01851	3.4
153.09106	3.7
153.12662	4.6
155.08533	3.4
157.08588	7.7
157.10112	11.2
159.08014	2.8
161.05949	7.0
161.13200	13.6
163.07558	7.3
163.14760	5.7
165.09106	23.4
165.12723	26.3
166.07704	3.1
167.06999	10.9
167.14297	8.2
169.12161	18.4
171.10254	3.0
171.11595	13.2
173.09592	4.2
173.13235	2.7
175.07552	6.7
175.11174	28.7
175.14854	5.2
177.09068	5.8
177.16373	3.2
181.10173	4.9
183.13815	3.4
185.15349	4.0
187.06013	10.3
189.12726	22.1
191.14316	4.0
191.17853	5.3
193.12222	27.8
193.15874	4.7
199.11201	19.3
205.06953	5.1
205.12219	4.3
205.19511	2.9
207.13884	14.6
209.15443	4.7
211.13295	25.6
211.16901	33.3
217.12206	64.0
229.14513	5.2
229.17946	69.6
235.13275	100.0
251.12703	4.0
253.14311	89.9
254.14706	4.3
259.11755	5.1
271.15320	13.2
271.24161	9.8
273.76822	3.5
289.25253	10.1
307.26300	19.1
325.27261	11.3
343.15329	5.4
361.16412	10.0
379.17392	11.8
397.18607	18.0
415.19412	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	523.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
55.01866	8.3
55.05505	28.2
57.03425	6.8
57.07058	4.7
57.51748	2.5
61.02929	3.5
67.05495	28.1
69.03425	28.6
69.07059	32.2
70.06583	10.6
70.95474	5.5
70.95818	4.2
71.04985	13.2
71.08624	5.4
73.02901	5.2
73.06535	4.7
75.49927	3.0
79.05479	23.5
81.03410	27.5
81.07051	70.1
83.04967	27.2
83.08607	15.5
85.02890	34.4
85.06517	13.8
86.09761	3.7
87.04477	3.5
91.05467	22.7
93.07032	68.4
95.04964	16.0
95.08598	61.8
97.02889	17.3
97.06519	33.4
97.10163	4.0
99.04443	15.2
99.08101	6.9
100.62431	2.7
101.06010	11.6
105.07014	42.9
107.04926	3.7
107.08585	52.6
109.02881	33.3
109.06522	24.0
109.10154	37.7
111.04450	5.2
111.08054	21.9
113.06001	5.5
115.03896	3.6
115.07577	4.4
117.07005	4.2
119.08566	31.8
120.08100	3.3
121.06495	50.2
121.10135	32.7
123.04436	5.2
123.08051	15.2
123.11681	30.2
125.05990	12.8
125.09611	8.0
127.03902	36.9
127.07542	7.9
127.11178	9.4
129.06979	4.2
131.04936	3.2
131.08559	7.0
133.04919	3.2
133.06520	4.7
133.10107	30.1
135.04443	3.9
135.08051	16.8
135.11653	18.2
137.05960	21.0
137.09607	11.2
137.13277	6.5
139.07501	16.2
139.11192	9.4
143.07037	12.9
143.08522	5.7
145.04916	8.0
145.10098	15.1
147.04388	5.2
147.08038	4.8
147.11674	57.5
149.05954	2.9
149.09601	6.1
149.13252	18.3
151.03944	3.5
151.11160	20.2
153.01810	41.7
153.05501	2.7
153.09082	3.7
153.12737	3.0
155.10692	6.0
156.09253	3.4
157.08592	7.9
157.10130	14.1
159.11691	8.6
161.09628	4.7
161.13202	15.2
163.07497	6.3
163.11205	4.4
163.14809	6.1
165.09023	5.4
165.12741	50.1
167.06981	7.0
167.14319	6.1
169.12231	24.7
171.11662	15.8
173.09663	6.7
173.13176	5.3
175.11209	23.5
175.14832	8.1
176.14972	3.7
177.05533	3.3
177.16389	6.3
183.13768	10.8
185.15367	6.9
187.06023	9.8
189.12698	20.1
189.16325	6.0
191.14268	5.8
193.10547	4.2
193.12181	23.8
193.15891	5.7
199.11128	21.3
203.00569	2.7
205.06976	5.4
207.13716	14.9
209.13370	6.0
209.15346	56.6
210.15601	2.8
211.13268	21.4
211.16936	41.6
215.17827	5.4
217.12204	63.9
225.14815	17.0
225.18437	3.2
229.14247	5.9
229.15738	5.0
229.17926	100.0
235.10934	4.4
235.13271	85.3
239.19922	3.4
253.14323	87.5
259.11719	9.5
271.15353	12.0
271.24179	17.0
289.25269	20.7
295.26224	3.3
307.26352	9.9
315.06921	3.3
325.27194	4.2
351.17786	3.2
361.16443	4.9
368.44559	3.2
379.17365	8.7
397.18683	15.5
415.19885	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	523.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01853	6.2
55.05507	20.2
57.03424	12.2
57.07057	4.8
59.04982	3.3
61.02909	3.7
67.05499	19.7
69.03419	35.7
69.07063	28.4
70.06583	2.8
70.68722	8.6
71.04984	45.9
73.02892	10.1
73.06554	5.7
79.05481	23.8
81.03413	17.2
81.07048	60.2
83.04980	23.1
83.08622	15.9
85.02893	63.8
85.06555	13.4
87.04461	5.7
91.05466	28.4
93.07033	46.8
95.04966	17.8
95.08591	49.7
97.02882	22.1
97.06525	19.2
97.10137	5.4
98.03149	3.2
99.04453	13.9
99.08063	9.6
101.06025	5.9
103.05447	32.4
105.07023	36.4
106.07373	2.7
107.04932	12.7
107.08582	43.7
109.02854	15.8
109.06506	19.2
109.10140	46.9
111.04444	7.6
111.08054	11.1
113.05988	5.7
115.03901	6.3
115.05434	5.8
117.06996	7.9
119.04930	13.7
119.08567	30.4
121.06503	31.9
121.10122	28.2
122.03618	7.3
123.04366	5.7
123.08047	10.2
123.11700	26.4
125.06010	12.0
125.09619	7.1
127.03903	18.1
127.07558	6.5
127.11184	7.5
129.05452	7.7
129.06998	5.5
131.04912	100.0
131.08545	11.1
133.02850	4.8
133.04932	6.1
133.06459	8.6
133.10104	23.0
134.10483	3.8
135.04384	5.8
135.08043	16.9
135.11693	16.8
137.05962	76.4
137.09573	7.9
137.13179	7.7
139.07509	7.7
139.11165	6.6
143.07024	5.6
143.08513	6.0
145.04906	10.4
145.06424	5.3
145.10104	11.2
147.04385	17.4
147.06442	4.1
147.08003	5.6
147.11652	37.0
149.05957	12.3
149.09628	4.9
149.13226	15.8
150.06755	3.1
151.03900	8.5
151.07538	20.9
151.11143	6.1
153.01797	8.6
153.05443	13.0
153.09096	3.1
153.12743	7.6
155.10612	5.6
157.06537	3.5
157.08582	4.8
157.10088	6.5
159.08038	4.2
159.11661	7.8
161.05971	15.9
161.13205	8.1
162.06755	8.5
163.06123	6.3
163.07516	72.4
163.11200	5.9
163.14809	5.7
165.05457	9.5
165.06926	4.2
165.09090	11.4
165.12724	14.7
167.07019	41.3
167.14294	9.8
169.08585	5.3
169.12212	18.7
171.11629	6.1
173.05952	6.9
173.13243	4.3
175.07532	7.9
175.11180	12.6
175.14795	21.5
176.04538	2.4
176.15114	15.8
177.05484	10.0
177.09042	12.6
177.16325	5.2
179.07050	22.5
181.08560	16.8
181.12059	2.8
183.13800	6.2
185.15381	7.3
187.05965	5.1
187.07529	4.1
189.05460	4.0
189.09064	6.5
189.12660	7.0
189.16360	5.6
191.07045	13.4
191.10683	5.0
191.14217	2.9
193.04941	5.0
193.08601	9.1
193.12192	13.3
193.15854	6.1
194.16173	2.8
195.06482	3.3
195.08041	3.3
197.08093	9.8
199.09529	3.7
199.11171	11.1
201.09081	5.9
203.07027	7.6
203.17853	2.5
205.08527	5.4
207.06413	2.5
207.13802	7.7
209.08084	6.2
211.13330	8.1
211.16884	42.3
215.10699	3.3
215.17915	6.7
217.08624	4.1
217.12228	33.0
219.06363	3.7
219.10211	3.1
221.07947	14.6
223.09587	6.2
225.09076	3.6
225.14813	8.9
227.12740	7.1
229.14496	14.5
229.17934	70.6
233.07964	3.4
235.13231	40.7
239.09111	6.7
247.09567	3.3
253.08560	3.6
253.14293	38.0
257.11615	3.8
259.11743	6.6
261.11136	5.7
263.09106	7.9
271.15372	4.2
271.24225	7.1
271.41144	2.7
277.25287	3.9
289.10736	6.6
289.25375	13.2
295.09973	2.7
295.26523	4.1
307.11581	4.3
307.26205	15.9
315.12054	4.7
317.14020	3.2
325.12918	3.1
325.27295	7.3
327.12057	15.0
341.13699	3.8
343.15311	6.6
343.28366	3.2
359.14737	6.6
361.16315	4.6
369.13312	3.2
373.15863	10.0
379.17380	7.8
397.18451	5.4
415.19955	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	523.2166
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
55.01877	2.6
55.05501	3.4
55.73275	1.9
57.03438	9.0
57.07071	3.5
65.03934	3.0
66.08074	1.8
67.05504	11.0
69.03416	21.3
69.07057	14.4
69.48936	16.1
70.06567	8.0
71.04980	33.0
73.02908	1.9
79.01842	2.6
79.05487	10.0
81.03391	6.2
81.07045	30.9
83.04961	6.2
83.08591	5.1
85.02412	3.4
85.02896	42.6
85.03411	2.7
85.06530	4.5
86.09692	2.5
91.05472	17.8
93.07028	20.8
95.04948	13.9
95.08595	28.2
96.44623	1.7
97.02864	7.1
97.06497	5.1
99.04449	2.0
99.48916	2.0
103.05458	27.1
105.07019	16.7
107.04927	8.1
107.08572	31.1
109.02866	8.7
109.06525	9.2
109.10139	16.9
111.04417	8.6
111.08090	2.5
115.05438	5.7
117.07013	5.4
119.04922	8.7
119.08561	10.8
121.06476	7.7
121.10128	17.0
122.07307	3.9
123.08047	5.9
123.11674	11.7
124.64906	2.0
125.02355	3.4
125.09647	1.9
127.03897	8.4
129.05450	8.6
129.06937	2.1
131.04907	100.0
131.08559	4.0
133.02890	3.8
133.06453	4.2
133.09090	3.7
133.10112	75.7
135.04414	3.6
135.08034	7.4
135.11668	9.9
137.05971	37.0
137.09604	36.6
137.13234	6.4
139.07553	2.2
143.03368	3.3
143.04895	3.1
145.06479	4.6
145.10149	4.8
147.04391	17.0
147.08023	2.6
147.11697	11.1
149.05968	10.3
149.09604	2.2
149.13254	12.2
149.72089	2.0
150.06760	3.3
151.07527	21.7
151.11186	3.4
153.01805	69.8
153.05388	11.6
153.12691	3.1
155.10677	2.5
159.08028	2.8
159.11734	3.1
161.05898	9.6
161.13287	5.6
162.06691	10.4
163.07523	89.7
163.14812	3.2
165.05470	11.0
165.06812	3.3
165.12715	5.0
167.07022	33.8
171.02902	8.7
173.05992	4.9
173.13242	3.7
175.07510	6.0
175.11371	2.3
175.14735	3.9
177.05437	12.2
177.09085	6.3
177.16356	5.5
179.07028	22.2
181.04900	2.0
181.08611	9.9
185.07146	2.5
187.05983	2.5
187.07587	3.7
189.05437	5.0
189.09099	3.9
189.16357	3.8
191.07053	11.4
191.12643	3.3
191.14297	46.8
193.04906	11.4
193.08606	7.3
195.08012	3.3
197.08089	11.4
199.07594	2.3
199.09485	2.3
203.06984	8.5
203.17886	1.9
205.08527	5.7
207.06569	4.2
207.17491	2.7
209.08051	8.0
209.15379	6.4
211.09528	2.8
215.17891	2.7
217.08623	4.6
217.12247	4.0
219.06433	4.8
219.10124	2.8
221.08005	15.2
221.19022	3.6
223.09666	5.3
225.09096	2.3
225.14859	7.2
229.15451	3.6
231.06555	1.9
231.09940	2.2
233.08023	6.1
235.09604	4.6
235.13284	5.5
239.09146	11.4
243.10101	2.7
245.08083	4.3
247.09569	3.3
253.08363	2.3
253.14337	5.6
259.09525	3.8
261.11166	5.4
263.09076	11.1
271.24185	6.1
277.25256	1.9
279.12173	4.2
287.12732	2.1
289.10602	7.5
289.25269	10.3
293.18253	1.8
297.06073	5.9
307.11755	8.8
307.26324	6.7
311.94376	2.1
313.01944	2.1
315.07050	11.1
315.12347	3.4
325.12790	5.2
325.27432	3.3
327.12064	17.8
331.15387	6.8
341.13727	2.9
359.14822	7.5
469.18671	4.2
523.25342	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60733	1.1
55.01858	1.3
57.03427	2.6
69.03410	3.0
69.80190	3.1
69.80624	4.6
71.04984	1.8
79.05478	1.5
81.03393	1.7
85.02882	3.2
85.06528	1.4
91.97120	1.2
95.04977	2.1
95.08604	1.4
97.02872	4.3
98.20850	1.6
99.04449	1.9
101.86755	1.1
103.05415	1.9
105.06985	1.4
106.93858	1.0
107.04953	1.9
108.89696	1.1
109.02831	1.4
125.57458	1.1
127.03882	3.4
131.04916	2.2
137.05959	3.5
140.07033	1.3
146.05966	1.2
147.04419	1.7
149.06003	1.4
153.01804	2.4
153.09094	1.3
163.07538	1.5
179.10645	1.4
197.11810	2.9
199.08604	6.9
204.06490	2.2
211.08690	4.8
212.09358	2.7
213.06418	1.4
213.10083	7.6
214.10922	1.9
215.08162	1.3
216.06522	1.6
225.06589	2.3
225.10176	9.0
226.07343	5.9
226.10983	4.0
227.08107	6.1
227.11853	3.8
228.08696	1.3
237.10138	2.9
239.08118	2.3
239.11754	7.1
240.08730	1.9
240.12579	4.9
241.09706	8.1
242.10515	4.0
245.12827	6.0
251.08028	1.5
251.11833	3.3
253.09610	8.1
254.10532	5.3
255.07692	1.5
255.11282	15.3
257.09177	1.4
257.12747	7.1
265.09622	3.7
267.11237	14.7
268.08997	1.8
268.12070	10.3
269.09442	2.0
269.12875	5.0
271.10880	2.6
273.12164	1.9
279.11282	3.2
280.12042	2.9
281.09216	2.9
281.12943	1.5
282.09940	2.6
283.10712	8.9
284.11551	1.7
285.08755	4.3
285.12320	6.4
286.09552	2.0
291.10968	1.7
293.09253	1.4
293.12604	2.3
295.10776	11.3
296.11621	5.2
297.08887	2.8
297.12302	7.6
299.10239	2.7
299.13773	1.8
300.11023	3.1
301.11816	12.4
307.10922	2.1
309.08704	2.5
309.12088	2.7
311.10333	2.6
313.08322	1.3
313.11719	30.4
314.12399	6.2
315.13428	2.5
321.12103	1.7
323.10342	4.7
324.10748	1.7
325.11746	3.8
326.12592	2.2
327.09918	2.0
327.13086	5.9
329.11337	3.4
335.13931	3.5
337.11786	3.1
339.09735	4.6
339.13354	2.9
341.11392	10.8
342.11938	7.7
343.12799	3.6
345.10623	1.3
349.11807	1.9
351.05624	1.7
351.13315	1.4
355.12875	10.6
356.13757	1.6
357.10709	3.2
357.14566	1.8
359.12302	1.8
361.13803	5.0
363.13391	4.4
367.12952	3.3
369.10779	2.4
371.12152	2.6
373.14014	13.6
374.14310	3.1
375.15179	1.5
379.13000	8.7
381.14499	5.9
383.12228	1.9
385.14093	2.7
391.12949	4.6
393.14255	2.1
397.13892	3.7
399.15723	8.3
401.13306	14.4
409.13889	15.2
411.15308	2.6
413.13565	3.4
417.16650	1.7
425.13480	4.9
427.14890	13.8
429.12280	2.7
433.16000	1.4
437.13184	6.2
445.15994	25.5
447.17542	2.9
455.14365	16.8
457.16132	5.3
463.17029	7.1
469.16040	7.4
473.15512	42.1
487.17090	17.0
491.16620	22.6
505.18106	80.5
506.18744	1.7
523.19183	100.0
524.19110	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50023	1.4
53.03928	5.7
55.01863	2.9
55.05508	15.3
55.47120	1.7
57.03419	4.3
57.07069	9.3
58.61107	1.9
59.04984	4.0
67.05489	17.7
69.03419	9.4
69.07057	45.7
70.06570	1.7
71.01339	1.9
71.04983	9.5
71.08615	3.9
71.62561	2.5
79.05468	13.7
81.03385	5.8
81.06571	3.0
81.07044	52.6
82.07388	2.8
83.04987	8.8
83.08601	23.0
84.08939	2.1
85.02889	8.7
85.06514	6.4
86.06817	1.9
87.04427	3.9
91.05467	16.6
93.07030	100.0
94.07360	3.5
95.04961	21.4
95.08594	55.8
96.08920	4.3
97.02850	5.1
97.06521	10.7
97.10140	7.9
99.04427	2.6
99.08078	4.9
100.11234	4.6
101.05986	5.7
105.07012	18.9
106.07317	4.3
107.08582	37.0
108.08897	3.9
109.02831	4.5
109.06499	8.9
109.10146	34.0
110.10461	2.3
111.04429	1.9
111.08066	17.5
111.11693	4.1
116.64989	2.1
117.06996	2.6
119.04942	1.8
119.08561	22.3
120.08882	5.0
121.06483	5.5
121.10126	40.8
122.10457	3.9
123.08026	5.3
123.11694	17.6
124.11995	2.1
125.05994	3.2
125.09618	4.0
127.03877	5.9
129.05424	1.7
131.08521	9.8
133.06453	1.7
133.10115	17.3
134.10437	3.0
135.07977	3.5
135.11664	15.1
137.05960	10.1
137.09558	6.2
137.13239	8.2
138.09927	1.8
138.13484	2.0
139.11162	12.1
140.11456	2.4
143.07109	1.9
143.08562	3.8
144.09262	2.4
145.04893	2.3
145.10155	11.9
146.10432	4.0
147.04370	2.1
147.08015	3.0
147.11697	14.0
149.09589	5.0
149.13237	15.3
151.03906	2.5
151.07492	4.0
151.11150	3.6
153.12665	2.6
157.10172	3.1
159.08032	2.8
159.11676	12.7
160.11967	2.4
161.05969	1.9
161.09650	4.8
161.13231	10.1
162.09912	2.2
162.13536	2.4
163.11169	5.3
163.14809	5.3
165.09053	3.0
165.12721	3.1
167.07048	3.5
167.10635	4.3
167.14297	3.8
168.17476	3.8
169.12250	3.7
171.11615	4.7
173.13266	5.2
174.13585	2.8
175.14781	6.9
176.15120	2.7
177.09064	2.6
177.12753	3.2
177.16385	4.0
179.10675	2.2
179.17903	1.7
181.12233	3.0
185.15317	4.5
187.14804	4.6
189.12759	7.1
189.16385	3.1
191.14366	3.6
191.17923	2.2
193.10114	3.0
195.17355	1.9
197.11626	1.9
199.14806	2.2
201.16330	3.5
203.17955	3.6
204.18205	2.6
207.13788	5.2
209.18964	2.7
215.17914	2.9
229.19469	2.6
231.21132	2.4
261.25653	2.0
271.24149	11.6
289.25195	22.4
295.26205	9.9
305.24750	2.8
306.25043	4.3
307.26233	81.9
308.26624	3.9
323.25601	2.6
324.26083	8.1
325.27341	45.0
341.26837	2.6
342.27292	2.9
351.17914	5.3
369.18948	5.0
386.40607	2.0
422.31302	4.2
440.32251	7.1
450.30600	4.5
458.33243	4.4
468.31659	6.5
486.32993	11.5
522.22009	2.3
522.34351	2.9
522.41711	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	522.355
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.35481	0.3
53.03953	0.4
55.05506	4.4
56.05035	1.3
57.03412	1.6
57.07064	1.2
58.06603	1.4
60.08154	17.5
60.24626	0.3
67.05497	5.4
69.03451	0.3
69.07056	4.7
69.53142	0.3
70.07398	0.5
71.04979	0.3
71.07365	6.2
71.08624	0.7
79.05484	2.6
80.05818	0.8
81.03403	3.9
81.07043	5.8
82.03747	0.7
82.07371	1.0
83.04977	0.6
83.08613	4.9
84.08949	0.5
85.02885	1.6
86.09692	49.9
87.10019	0.4
91.05452	1.8
92.05800	0.5
93.07017	2.8
94.07363	0.7
94.46871	0.3
95.04954	2.0
95.08586	3.3
96.05251	0.5
96.08917	0.5
97.06509	0.6
97.10147	1.5
98.98449	3.5
99.08098	0.4
104.10727	100.0
105.06985	1.5
105.11029	0.7
107.08575	1.4
107.46020	0.4
108.08946	0.4
109.10149	1.6
111.08101	0.8
119.08563	1.1
120.08902	0.4
121.10126	2.2
122.10458	1.0
123.11678	1.0
124.99984	27.5
125.09595	0.4
127.11131	0.4
131.08449	0.3
133.10129	1.0
135.11678	1.4
143.00980	0.4
145.10130	0.7
147.11653	0.7
149.13176	0.5
157.09978	0.4
158.10542	0.4
163.01524	0.8
163.11082	0.3
175.11174	0.4
184.07312	98.3
185.07703	0.6
193.12215	2.5
194.12524	1.4
211.13293	2.3
212.13573	1.7
219.20914	0.3
223.98970	0.3
227.12640	0.4
234.07970	0.3
237.22021	0.4
258.10895	0.9
267.16037	0.5
268.16187	0.6
311.25281	0.3
313.27014	0.7
339.28720	1.4
504.27081	0.4
504.34326	9.4
522.35156	38.8
523.35321	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33236	0.1
54.24173	0.1
55.05496	1.0
56.05017	0.5
56.05835	0.1
57.03420	0.3
57.07062	0.3
58.06349	0.2
58.06626	0.4
59.04976	0.1
59.07373	0.2
60.08153	6.3
60.94706	0.1
67.05489	1.3
68.05827	0.2
69.07059	1.3
69.39765	0.2
69.40177	1.0
70.06577	0.2
70.07372	0.2
71.04992	0.2
71.07365	2.7
79.05471	0.8
81.03394	0.7
81.07046	1.4
82.03773	0.2
82.07353	0.3
83.04949	0.2
83.08601	1.0
84.08930	0.2
85.02888	0.4
85.06503	0.1
86.03214	0.1
86.09690	28.1
87.10046	0.2
91.05470	0.6
93.07024	0.7
94.07352	0.1
95.04969	0.5
95.08598	0.9
96.08910	0.2
97.06533	0.2
97.10127	0.3
98.98447	2.6
104.10720	2.5
105.07008	0.4
105.14317	0.1
107.04950	0.2
107.08585	0.4
109.10176	0.6
110.10464	0.2
111.08061	0.2
119.08559	0.6
121.10136	0.5
122.10465	0.1
123.11684	0.1
124.99983	20.7
129.06990	0.2
131.08505	0.2
133.10104	0.3
135.11691	0.4
143.00996	0.3
148.11980	0.2
149.13255	0.2
159.11691	0.1
166.02643	0.2
175.11084	0.2
184.07307	100.0
185.07678	0.7
185.28215	0.1
193.12180	0.4
194.12543	0.4
201.41275	0.1
211.13234	0.6
212.13614	0.3
258.11160	0.2
312.26230	0.1
339.28760	0.2
372.91992	0.1
388.49744	0.1
504.34256	1.4
507.85187	0.1
522.35248	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	522.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	2.2
55.05491	2.7
57.03430	6.5
57.07059	0.9
58.30201	0.6
59.04975	1.4
60.98883	0.5
61.02908	1.9
67.05479	2.5
69.03071	0.8
69.03420	11.2
69.07053	5.3
70.97450	1.7
71.04987	3.2
73.02911	10.2
75.36540	0.7
79.05482	2.6
81.03422	2.8
81.07038	7.3
83.04977	0.9
83.08614	3.2
85.02892	17.7
85.06528	1.3
87.04439	3.6
89.20218	0.6
89.51926	0.6
91.03945	0.6
91.05453	1.7
93.07020	6.5
95.04946	2.2
95.08588	9.4
97.02877	16.0
97.06522	9.4
97.10136	0.9
99.04425	1.6
99.08079	0.9
103.03942	0.7
105.07032	4.3
105.07632	0.8
107.08571	7.7
109.02200	0.6
109.02827	2.9
109.06506	6.1
109.10123	4.4
111.08054	2.2
111.11713	1.4
115.03139	0.9
115.03905	11.6
115.07546	1.9
116.02360	0.6
119.08576	8.0
121.06490	1.3
121.10114	4.5
123.08039	4.1
123.11689	8.9
125.05929	0.6
125.09597	0.9
127.03904	4.6
127.07488	1.0
131.08511	0.8
133.04948	10.4
133.10117	19.1
134.10504	0.8
135.11668	13.1
137.05957	1.7
137.09573	2.9
139.07518	0.7
145.04964	5.2
147.11673	2.9
149.13245	12.0
151.03870	0.7
151.07359	0.7
151.11128	3.4
153.12704	2.1
157.10146	0.7
161.13277	0.7
163.05972	2.1
165.09117	0.6
165.12701	1.6
171.11649	0.8
175.13264	1.3
175.14803	26.0
176.15218	1.0
179.10645	0.6
184.20634	0.6
193.15860	40.3
194.16153	0.6
209.15350	0.7
211.16908	100.0
212.17270	1.8
217.12242	1.4
223.05962	0.9
229.14351	0.7
235.13286	1.4
241.07034	1.1
253.14368	1.1
259.08072	2.4
277.09012	0.8
282.19177	0.7
295.10275	1.7
306.25043	0.8
343.21182	0.9
373.22394	0.8
379.17178	0.6
403.86502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05424	1.2
53.03941	2.5
55.01863	4.0
55.05499	5.6
57.03434	9.3
57.07059	1.6
61.02895	3.5
67.05498	7.9
69.03423	15.8
69.07059	10.8
71.04987	7.7
71.62977	2.3
73.02900	13.7
79.05489	8.3
81.03407	6.1
81.07048	23.9
82.07357	1.3
83.04967	5.4
83.08601	4.7
85.02892	44.2
85.06520	4.5
87.04453	2.6
89.29399	1.2
91.03941	2.6
91.05465	15.6
93.07024	22.8
95.04973	5.2
95.08593	20.9
97.02875	24.5
97.06531	5.6
99.04439	4.6
99.08078	4.6
101.06007	1.7
103.03961	2.2
103.05466	3.6
105.07016	28.0
107.04943	2.9
107.08581	22.5
108.08876	1.2
109.02830	7.0
109.06499	4.0
109.10130	11.5
110.10538	1.4
111.04382	1.9
111.08056	8.0
115.03911	11.4
116.01678	3.3
117.07013	3.7
119.04911	2.8
119.08566	44.9
120.08088	1.8
121.06494	5.4
121.10094	9.4
122.03632	2.0
123.04386	2.3
123.08086	1.9
123.11682	6.2
125.05929	3.2
127.03893	19.1
127.11196	1.4
129.06932	1.8
131.04897	6.3
131.08585	3.9
133.04922	20.4
133.06485	3.1
133.10118	29.8
133.11069	2.5
135.04366	1.8
135.08064	2.5
135.11665	5.9
137.05959	32.8
137.09557	2.1
138.06293	4.6
139.11092	1.6
142.08641	1.4
143.07053	1.7
143.08577	1.6
145.04942	24.9
145.08539	2.8
145.10118	5.1
147.04437	4.6
147.08018	1.5
147.11664	12.2
149.09601	2.4
149.13228	7.3
151.03902	6.0
151.07549	5.1
151.11125	1.8
152.04305	1.5
153.01820	4.3
153.05508	1.9
159.08105	1.4
159.11664	1.5
161.05978	3.6
161.09613	2.9
161.13252	2.5
162.02177	3.7
162.06647	2.5
163.06007	18.6
163.07529	7.0
163.11148	3.6
163.14705	2.3
165.09094	3.6
165.12750	2.4
167.07004	7.1
167.14307	4.4
169.08640	1.4
169.12274	3.1
173.13312	1.7
175.07455	2.1
175.14801	100.0
176.15132	1.7
177.05363	1.4
177.09056	4.3
177.16377	2.7
179.07121	1.7
181.05019	2.0
181.08571	3.4
185.15381	1.5
189.09079	3.1
191.10677	3.2
191.14240	1.9
193.08707	1.5
193.12332	1.6
193.15848	17.1
201.09143	1.4
207.10173	2.5
209.11598	1.7
209.15358	2.9
211.13335	1.4
211.16940	5.2
217.12309	3.6
223.05988	3.1
225.09161	1.7
227.12827	2.4
229.17938	17.1
233.11743	1.7
235.13290	4.7
236.13794	1.5
241.06908	2.7
253.08553	1.8
253.14357	4.8
254.30376	1.4
259.08163	10.7
262.09711	1.9
277.09125	4.6
278.09091	1.3
289.25217	1.5
291.06216	2.1
295.10229	8.7
297.11301	2.8
307.09058	2.0
307.18857	2.5
317.13821	2.4
322.11722	1.7
325.10358	1.6
340.12704	1.7
341.14050	6.3
342.14151	1.6
357.13156	1.9
359.14807	1.9
360.15439	2.3
372.15530	11.3
375.18253	1.3
389.13754	2.5
410.37003	1.5
413.18085	1.8
418.00558	1.4
462.38177	1.4
504.20648	2.2
522.21942	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	522.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.5
55.01865	2.3
55.05491	1.3
57.03429	5.0
59.04983	0.8
59.95685	0.4
61.02902	1.6
67.05467	1.7
69.03073	0.6
69.03420	8.3
69.07056	4.4
69.90458	0.4
70.73902	1.5
71.01331	1.0
71.04975	3.0
71.77834	0.4
73.02906	7.5
79.05473	1.0
81.03389	1.5
81.07045	5.0
83.08605	2.4
85.02893	17.1
85.06503	0.7
87.04452	1.5
91.03928	0.5
91.05487	0.9
93.07027	4.6
95.04945	1.3
95.08589	5.7
97.02878	13.0
97.06512	5.6
98.16671	0.6
99.04420	1.3
99.08069	1.6
103.03912	0.8
105.07011	3.0
107.08578	5.6
109.02850	2.0
109.06499	4.2
109.10156	3.1
111.08065	0.9
111.11701	0.7
113.09578	0.5
115.03905	5.8
115.07539	1.6
119.08553	6.5
121.06493	0.5
121.10123	3.7
123.08049	3.9
123.11683	7.3
127.03896	5.1
129.50883	0.5
133.04945	6.6
133.10112	15.3
135.11668	11.0
137.05956	0.9
137.09583	2.7
137.13235	0.6
141.12691	0.6
145.04938	5.5
145.10133	0.6
147.11649	1.5
149.13239	7.9
151.11163	1.0
153.12703	1.4
155.10619	1.0
156.17410	0.5
163.06007	2.4
165.12692	0.8
167.06955	0.7
167.14185	0.5
175.14801	20.1
193.15854	30.3
194.16109	0.5
211.16902	100.0
212.17264	2.5
223.05984	1.1
229.14284	0.9
241.07053	1.4
259.08099	1.8
273.37579	0.4
295.10141	1.3
373.22015	2.1
438.04169	0.5
469.86313	0.5
545.91333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.3
55.01863	1.2
55.05506	0.6
57.03434	2.2
57.07071	1.7
59.04995	0.5
61.02918	1.5
61.59805	0.3
62.88314	0.2
65.07466	0.2
67.05496	2.1
68.84380	0.3
69.03424	4.5
69.07062	2.1
70.73766	0.7
71.01345	0.7
71.05001	0.6
73.02908	5.3
79.05485	1.0
81.03421	0.9
81.07047	13.7
83.08603	0.8
85.02895	10.6
85.06506	0.4
87.04460	9.6
91.03941	0.3
91.05461	0.8
92.05830	0.3
93.07053	2.0
94.07372	0.2
95.04960	0.7
95.08596	3.5
95.72607	0.3
96.08938	0.3
97.02879	6.9
99.04446	0.8
103.03889	0.5
105.07005	1.2
107.08560	1.8
109.02865	0.9
109.06515	0.5
109.10162	1.5
112.99331	0.3
115.03920	3.0
119.08568	1.0
121.10156	1.1
123.11691	32.6
124.12024	0.3
125.13258	5.6
127.03899	3.6
133.04936	3.6
133.10115	0.6
135.11674	1.5
137.05923	1.3
137.09604	0.4
145.04942	3.3
147.11694	0.6
149.13229	2.1
151.11162	97.4
152.11513	1.2
157.24768	0.3
163.05994	0.9
163.11133	0.3
165.12640	0.5
167.07086	0.4
175.14799	1.2
193.15863	3.9
211.16902	100.0
212.17302	1.4
212.24232	0.3
241.07086	0.8
241.72574	0.3
259.08200	0.8
283.09482	0.6
288.23920	0.5
306.25049	0.9
331.91415	0.3
343.11719	0.5
418.80154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01867	0.7
55.05493	0.8
55.82837	0.4
57.03414	0.7
58.06556	0.5
60.76192	0.5
62.06077	0.8
65.18420	0.5
65.21031	0.4
66.34282	0.4
67.05485	1.8
69.03428	2.7
69.07059	1.4
70.41373	0.9
70.41757	1.6
71.04983	33.9
72.04507	0.6
73.02908	1.8
74.09760	0.5
79.05476	2.1
81.03409	3.3
81.07049	3.3
83.04948	1.0
85.02901	6.8
85.06533	4.8
87.28136	0.6
90.05527	2.1
91.05455	1.7
93.07021	3.0
95.04969	2.6
95.08596	2.1
97.02879	5.5
97.06518	1.5
99.04440	1.8
103.05475	0.6
104.74905	0.5
105.07014	2.9
107.04949	0.7
107.08566	2.1
108.04447	1.2
109.02854	4.0
109.06493	1.7
109.10169	1.1
111.04385	0.6
111.08062	1.3
113.05988	5.9
115.03989	0.8
116.54729	0.5
119.08570	2.0
121.06496	2.8
121.10133	1.2
123.04406	0.6
123.08045	1.0
123.11707	0.6
125.05964	1.0
125.09741	0.6
126.05523	1.3
127.03917	4.9
127.07536	17.3
128.04219	0.5
131.04909	0.8
131.07021	8.0
131.08514	0.7
133.10103	1.3
135.04388	0.6
135.08055	1.1
135.11697	0.5
137.05943	4.1
137.09444	0.6
138.06262	0.7
139.07516	0.9
140.06989	0.6
143.06992	0.9
143.08591	0.6
145.04924	2.2
145.08578	100.0
147.04370	1.0
147.08041	0.5
147.11664	3.2
149.05943	0.7
153.01820	1.4
154.04988	2.1
155.07014	0.9
157.10069	0.9
159.07979	0.7
159.11740	0.5
161.05914	0.7
161.13171	0.8
163.07526	1.1
165.12741	1.3
167.07030	0.8
168.06493	0.6
173.08113	2.3
173.13261	0.6
175.11166	1.9
179.14232	0.6
181.04979	0.6
185.08073	0.7
187.06000	1.1
189.12755	1.0
191.09128	9.1
193.04991	1.5
193.12227	0.9
199.11079	1.1
207.13870	0.7
211.13232	1.7
217.12282	3.3
235.13318	4.1
237.93417	0.5
253.14284	5.6
254.09073	0.6
257.10114	0.8
271.15323	1.2
275.11133	0.7
277.08517	0.8
285.11020	0.6
288.13483	0.6
291.09842	0.5
299.11432	0.9
317.12247	2.0
326.11142	1.0
335.13199	2.2
339.12283	0.7
341.13895	1.0
357.13489	0.6
358.13525	1.2
360.15567	1.0
371.14694	3.9
372.15369	0.7
376.14499	2.8
389.15680	0.7
397.18546	1.2
403.35132	0.5
437.60712	0.5
501.55042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00758	0.6
50.64131	0.5
53.03925	2.7
55.01853	2.2
55.05503	17.3
57.03427	5.4
57.07069	14.3
59.04985	1.4
65.03923	2.4
66.80230	0.5
67.05495	33.3
69.03405	1.2
69.07057	24.3
70.03859	1.5
70.04270	2.2
71.04977	3.8
71.05303	0.5
71.08617	8.0
72.05704	0.5
79.05484	20.3
81.03407	20.2
81.07045	33.8
83.04970	6.2
83.08607	21.5
85.02895	10.1
85.06532	2.4
85.10169	4.7
91.05473	14.1
91.22997	0.6
93.06460	1.0
93.07030	18.6
95.04954	10.6
95.08591	24.5
96.08972	0.8
97.02872	2.9
97.06531	3.6
97.10164	7.7
99.04453	0.8
99.08078	1.2
103.05450	0.6
105.07014	10.3
107.04947	5.4
107.08571	10.3
109.06481	3.0
109.10141	10.5
111.04425	5.3
111.08086	5.0
111.11702	1.8
113.06025	1.2
117.07011	4.1
119.08569	9.2
121.06474	2.5
121.09304	1.0
121.10133	13.4
123.08040	2.1
123.11705	4.6
125.05972	1.1
125.09605	1.7
125.13201	1.4
127.11195	0.7
129.06996	3.5
131.08537	5.1
133.06491	0.9
133.10123	4.7
135.08078	0.9
135.11673	8.5
137.09657	1.0
137.13252	2.7
142.07784	0.9
145.10132	4.4
147.08020	1.5
147.11668	4.6
149.09599	2.1
149.13246	1.6
153.12740	0.7
155.08556	0.9
157.10138	3.8
159.11707	1.0
163.11163	4.5
165.09053	0.7
165.12718	1.2
173.09607	1.8
173.11732	0.8
175.11198	4.0
181.12225	1.0
188.67152	0.6
191.10670	3.4
193.12210	16.4
209.11685	13.2
211.13263	19.7
219.21083	0.9
227.12738	6.1
237.22037	3.1
239.23756	2.8
265.14334	1.6
267.15891	3.5
275.20001	1.1
311.25742	2.9
313.27393	2.3
349.23703	0.7
393.76236	0.7
423.27600	0.9
429.33621	1.2
503.37735	5.2
514.29108	0.7
519.94543	0.8
521.38342	100.0
522.38586	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01853	1.5
55.05504	21.3
57.03435	4.0
57.07066	4.2
59.04983	0.7
61.75867	0.5
65.03931	1.1
67.05495	29.0
69.03403	1.4
69.07059	22.6
70.05368	1.4
70.05781	1.1
71.04985	2.5
71.08611	2.3
76.40397	0.6
79.05482	18.0
79.21444	0.5
81.03407	27.4
81.07047	34.4
82.07368	0.5
83.04973	5.0
83.08606	22.2
85.02893	15.4
85.06522	1.6
85.10167	1.0
85.28173	0.5
91.05469	13.9
93.07030	16.3
95.04953	14.0
95.08590	22.3
97.02883	1.5
97.06535	3.2
97.10159	8.6
99.08088	0.6
105.07015	8.6
107.04926	2.3
107.07875	0.5
107.08578	8.8
109.06516	2.7
109.10146	7.8
111.04398	1.1
111.08080	5.0
111.11695	2.4
113.05991	0.9
113.09631	0.7
115.05385	0.6
117.06982	1.2
119.04959	0.6
119.08556	7.8
121.06486	0.8
121.10127	15.0
123.08082	1.1
123.11698	3.9
125.09618	1.5
129.06987	3.3
131.08536	4.3
133.06470	1.2
133.10104	4.7
135.11687	7.0
137.09607	1.1
137.13232	2.1
142.07790	1.2
145.10114	1.4
147.08009	1.3
147.11641	6.2
149.09624	2.9
149.13252	2.8
151.14816	0.5
153.12715	0.8
157.10130	6.3
163.11171	0.8
163.14853	1.0
165.12740	1.4
175.11156	6.3
184.07318	1.9
193.12219	27.1
209.11757	1.1
211.13264	32.8
219.21092	1.7
227.12862	0.7
229.14369	0.8
237.22055	5.5
249.14955	0.9
267.15875	5.6
280.71280	0.5
285.17206	0.7
286.90155	0.5
311.25748	4.4
404.36035	0.5
429.33502	1.7
453.42004	0.6
503.37366	4.4
521.38336	100.0
522.38763	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	521.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.0
55.01861	4.0
55.05503	15.1
57.03432	2.9
57.07069	24.8
57.07328	0.9
59.04969	0.8
65.03912	0.9
67.05496	20.8
68.05799	0.6
69.03384	1.5
69.07058	12.1
71.04991	2.4
71.08621	15.6
73.02896	0.5
76.38519	0.5
79.05481	18.1
81.02972	0.6
81.03407	7.8
81.07045	22.9
83.01315	0.7
83.04961	4.9
83.08607	15.0
85.02868	1.9
85.06504	1.0
85.09705	0.6
85.10168	7.8
91.05461	9.0
93.07030	23.2
95.04958	7.9
95.08595	34.4
97.02857	2.9
97.06518	2.6
97.10142	6.6
99.04400	1.9
99.08065	0.7
99.11727	0.5
103.05435	0.5
105.07013	7.3
107.04935	7.7
107.08579	15.9
108.61297	0.4
109.06523	2.4
109.10136	7.8
111.04416	1.1
111.08036	2.0
111.11670	1.5
111.79370	0.4
113.05970	0.6
115.05434	0.6
117.07005	5.9
119.08560	7.6
121.06506	3.8
121.10133	8.5
123.08023	1.6
123.11684	3.3
125.05951	1.2
125.09551	0.7
125.13210	0.8
129.06979	1.9
130.07730	1.2
131.08504	1.6
133.10098	2.3
135.08051	1.4
135.11670	24.9
137.13216	1.4
139.07509	1.2
143.08516	0.7
145.10106	15.4
147.08005	1.0
147.11636	1.1
149.09549	0.5
153.12694	1.0
157.10139	0.9
163.11154	31.1
169.31224	0.5
173.09529	1.0
175.11041	1.2
181.12207	9.0
191.10635	1.4
193.12230	4.9
209.11650	3.5
211.13266	4.2
221.22586	0.5
227.12747	72.0
228.13124	1.3
237.22141	1.4
239.23651	3.5
240.13809	0.5
249.14851	0.7
265.14282	1.4
267.15860	2.0
313.27399	2.2
378.26541	0.6
503.37314	1.8
521.38312	100.0
522.38818	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	521.3467
Annotation	Inokosterone 20,22-acetonide
Peak:m/z	Relative Intensity
50.71821	1.5
51.13342	1.6
51.25898	1.8
55.05490	9.1
57.03427	2.6
58.67392	1.7
67.05490	15.8
69.03413	25.0
69.07049	11.3
70.22417	8.9
71.04961	3.9
76.75440	2.0
79.05486	12.1
81.03413	5.3
81.07043	28.4
83.04941	4.0
83.08595	7.8
85.02882	2.7
85.06528	4.7
91.05451	18.7
93.07021	30.2
95.04969	17.6
95.08591	31.6
97.02866	2.5
97.06516	3.9
97.10151	3.5
99.04431	13.7
105.07017	32.3
107.04936	3.1
107.08581	32.1
109.06490	7.3
109.10136	20.9
111.08068	6.4
115.05463	2.1
117.06987	6.6
119.05000	2.1
119.08557	50.6
121.06477	4.0
121.10129	23.5
123.08005	4.9
123.11674	6.9
125.09621	4.4
127.03836	2.1
129.06961	8.7
131.08543	23.8
133.06514	2.7
133.10106	27.3
135.08017	4.8
135.09282	1.7
135.11682	9.4
137.05916	7.2
137.09578	6.4
137.13225	4.6
142.07750	2.8
143.08521	11.4
145.10112	28.5
147.08055	2.4
147.11671	14.8
149.09587	6.8
149.13220	10.6
151.07526	4.9
151.11162	3.3
153.09071	3.1
155.08482	5.0
157.10103	19.3
158.10851	2.7
159.07983	3.0
159.11649	19.9
161.09579	6.0
161.13223	23.2
163.07434	2.6
163.11119	3.2
163.14796	6.3
165.09068	7.1
167.07063	2.6
167.08791	2.1
169.10057	4.9
170.10910	2.3
171.11642	8.7
172.93790	2.0
173.13237	15.9
175.07556	2.2
175.14771	11.2
177.12666	3.8
177.16393	3.8
183.11690	3.1
185.13234	27.3
187.14754	21.0
189.09033	3.1
189.16380	9.1
191.10551	2.2
191.14214	7.9
193.12267	2.7
195.11714	2.7
197.13219	4.9
199.11186	2.2
199.14783	21.1
201.16341	16.0
203.14294	18.7
203.17807	3.0
205.15884	5.2
211.14850	4.7
213.16383	13.0
215.14130	3.1
215.17978	2.8
217.15872	10.2
221.15393	2.3
225.16446	3.2
227.14223	2.1
231.13649	2.6
233.15302	4.6
235.16873	2.0
239.17838	3.4
241.19278	3.1
242.16611	2.2
245.15349	4.7
247.16936	4.2
249.14839	8.0
259.16794	2.9
263.16412	2.2
269.08069	2.2
289.19028	2.3
323.25952	3.0
347.27332	2.1
369.27737	3.8
385.28531	3.2
387.29492	2.1
393.27777	2.8
403.29837	6.8
405.31369	3.9
411.28632	3.1
421.30951	9.7
423.32336	2.2
431.29233	4.2
437.30429	2.0
439.31656	2.8
449.30441	13.5
450.30930	2.1
455.31589	18.8
467.31519	13.0
485.32541	100.0
486.32895	3.2
503.33481	7.1
521.33771	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	521.2588
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
53.03950	2.2
53.43795	1.3
55.01870	6.5
55.05502	14.8
57.03431	13.4
57.07066	2.8
59.04993	3.5
61.02907	2.7
61.38082	1.1
65.72251	1.2
67.05506	6.1
69.03426	13.2
69.07063	6.4
69.95261	7.3
71.01359	2.9
71.04984	5.0
73.02911	12.9
79.05485	4.2
81.03406	4.5
81.07050	10.9
83.04971	42.3
83.08605	11.0
85.02898	22.1
85.06530	2.9
87.04465	3.0
91.05478	4.4
93.07033	10.6
95.01366	1.2
95.04977	3.7
95.08586	8.7
97.02890	12.7
97.06519	7.0
97.10157	1.9
99.04465	4.6
99.08070	4.1
101.05949	1.5
103.03938	1.7
103.05463	5.5
105.07021	9.4
107.04963	6.3
107.08584	18.7
109.02872	2.6
109.06506	4.5
109.10146	26.3
110.23895	1.2
111.04393	1.7
111.08079	4.6
113.05986	2.5
115.03913	8.6
117.06989	1.4
119.04899	2.0
119.08568	4.3
121.06488	3.3
121.10139	7.7
123.08061	4.8
123.11705	11.2
125.05973	1.5
125.09620	14.1
127.03896	7.7
127.07540	1.4
127.11213	1.6
131.04901	6.7
131.08565	3.0
133.02841	1.9
133.04936	9.0
133.06468	2.2
133.10107	9.9
135.08058	5.2
135.11696	3.5
137.05946	14.5
137.09657	3.8
139.04007	1.2
140.07037	2.7
145.04964	3.3
145.10172	2.6
146.06029	3.6
147.04419	4.0
147.11667	3.5
149.05966	4.0
149.09604	6.1
149.13220	5.7
150.06767	2.6
151.03848	3.0
151.07549	6.1
151.11172	22.5
153.01811	12.4
153.05482	2.4
153.09128	2.6
155.10666	1.6
161.05997	4.7
161.09608	1.6
162.06802	1.7
163.07541	12.6
163.11243	1.4
163.14719	1.7
165.09111	2.8
165.12730	2.0
167.04495	2.3
167.07031	4.5
167.10658	3.6
167.14299	42.4
169.12233	47.9
173.09531	1.2
173.13268	3.5
174.05458	1.5
175.07533	2.7
175.11224	1.3
177.05478	5.0
179.06970	8.3
189.09061	2.9
191.10573	1.4
191.14301	8.4
193.12260	2.5
204.06499	2.8
209.15344	100.0
210.15599	1.5
214.04976	8.8
217.08566	1.5
219.10201	1.7
227.06476	1.6
227.16391	41.1
230.04482	2.6
237.14862	1.9
251.16426	26.8
270.03955	4.6
272.05603	2.7
291.15799	3.8
293.17331	2.0
305.17731	1.7
309.16992	2.9
312.05090	2.5
313.11621	2.1
317.17337	2.0
330.06039	18.5
335.18555	2.9
341.13806	2.0
343.04492	1.7
345.14322	1.4
348.07233	3.1
353.19550	4.4
359.15030	1.9
362.08640	18.6
371.20673	3.2
372.13379	1.4
373.13928	2.9
380.09714	3.8
471.13977	1.7
489.15060	4.9
503.16428	3.5
504.15829	1.2
521.17310	13.0
522.18127	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3389
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
50.25897	0.2
55.05499	1.2
56.05027	1.2
57.03428	0.4
58.06604	1.0
58.84748	0.3
59.07385	0.3
60.08155	16.3
65.03924	0.2
67.05495	3.3
69.07051	1.2
69.48032	1.5
69.48436	0.4
70.06575	0.3
71.07363	5.7
73.78162	0.2
79.05474	0.7
80.17876	0.2
81.07048	2.6
83.08640	0.3
86.09692	48.3
91.05479	0.5
93.07017	0.5
94.02802	0.2
95.08595	2.0
98.98447	3.8
104.10726	100.0
105.07026	0.4
105.11081	0.2
107.08598	0.3
109.10143	0.7
119.08543	0.6
121.10078	0.3
124.99986	28.8
143.01068	0.5
147.11600	0.3
163.01535	0.8
184.07309	95.8
185.07678	0.5
243.70624	0.2
258.11005	1.2
337.27258	0.8
365.11484	0.3
415.17850	0.3
485.83621	0.3
495.72455	0.3
502.32864	9.0
520.33899	42.3
521.34082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
56.05019	0.4
57.03425	0.2
58.06619	0.5
59.07372	0.1
60.08153	6.0
60.53194	0.1
62.34599	0.1
67.05478	0.6
69.07044	0.3
70.87819	0.3
71.07361	3.0
79.05489	0.2
81.07037	0.6
83.08595	0.1
86.09692	30.2
87.10042	0.1
91.05463	0.1
92.85620	0.1
93.07030	0.2
95.08594	0.3
98.98448	2.7
104.10036	0.1
104.10727	2.8
105.07031	0.1
107.08578	0.1
109.10091	0.2
119.08585	0.1
121.10110	0.1
124.99983	19.8
133.10100	0.2
143.01091	0.2
166.02556	0.1
171.71695	0.1
184.07309	100.0
185.07712	0.4
258.10989	0.2
310.55948	0.1
337.27405	0.2
457.48666	0.1
502.32822	1.4
520.33942	3.4
521.34412	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	520.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
55.05503	0.8
57.03426	2.3
57.07064	1.0
59.04975	0.4
59.70098	0.3
61.02908	0.7
67.05484	1.4
67.45963	0.3
69.03419	27.5
69.07053	1.8
70.60783	1.3
71.04982	1.7
71.62494	0.3
73.02914	2.2
79.05475	1.1
81.03385	0.4
81.07045	2.4
83.04968	2.5
83.08579	0.9
85.02891	5.2
85.06531	1.9
91.05459	1.1
93.07025	2.0
93.47201	0.3
95.04959	0.8
95.08598	5.0
97.02866	3.0
97.06521	1.9
99.08067	0.4
105.07017	2.0
107.04986	0.4
107.08583	7.7
109.06483	2.6
109.10133	1.5
111.08077	1.7
113.06037	0.5
115.03907	1.2
119.08582	2.0
121.06493	1.0
121.10127	6.3
123.08044	1.5
123.11693	4.6
125.09612	13.5
127.03855	1.1
127.07517	0.9
131.08543	3.2
133.04926	1.6
133.10110	3.1
135.08029	6.0
135.11671	3.4
137.05948	2.3
138.06281	0.4
143.08511	0.4
145.04924	1.2
145.08582	3.5
145.10088	2.2
147.11656	1.9
149.09590	4.3
149.13210	2.1
151.11139	0.9
153.09071	5.4
158.10907	1.7
161.05914	0.6
161.09634	0.5
163.06061	0.6
163.07487	0.7
163.11194	1.2
163.14790	3.4
165.12714	2.3
167.07013	0.5
173.13237	13.1
174.13594	0.4
175.07555	0.5
176.11917	0.4
191.14276	48.4
192.14626	0.8
209.15335	100.0
210.15620	1.0
335.13321	0.4
520.18201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01870	1.8
55.05510	1.8
57.03428	6.3
57.07068	0.7
59.05005	0.9
61.02927	1.4
63.56921	0.5
65.03944	0.6
67.05494	2.9
69.03415	6.9
69.07060	1.9
70.06573	0.5
71.01344	0.8
71.04994	1.3
71.61801	0.6
71.62185	0.6
72.90783	0.4
73.02917	4.5
73.66328	0.4
79.05481	4.4
81.03421	2.1
81.07048	4.5
83.04974	1.4
85.02891	8.8
85.06528	1.1
87.04470	1.3
91.05459	11.7
91.05986	0.6
93.07027	5.0
95.04963	2.0
95.08604	2.1
97.02877	4.9
97.06524	1.0
99.04449	2.4
103.03951	0.6
103.05447	1.5
105.07015	15.6
107.04969	0.6
107.08579	9.3
109.02879	0.8
109.06516	1.8
109.10130	1.3
111.08037	0.8
111.84696	0.4
115.03909	3.0
115.05455	1.4
116.06225	1.4
117.05435	0.7
117.07003	5.7
119.08565	15.4
120.08087	0.5
121.06507	1.1
121.10123	10.8
122.10497	0.6
123.04407	0.5
123.08069	1.2
123.11686	0.5
125.09625	0.4
127.03905	3.1
128.06213	1.5
129.06998	5.9
130.07741	2.2
131.04927	0.7
131.07077	5.1
131.08548	23.9
132.06534	1.1
133.04955	3.9
133.06464	0.5
133.10089	5.3
135.08009	3.7
135.11690	0.9
137.05952	4.7
137.09637	0.5
138.06303	0.9
143.08542	13.0
144.09306	4.6
145.04958	2.2
145.10100	17.8
147.04294	0.8
147.11671	9.1
149.05934	0.5
149.09586	2.0
149.13248	6.2
150.07613	3.3
151.03876	1.2
151.07465	1.1
151.11128	0.5
153.01808	1.7
156.09378	0.9
157.10083	1.1
158.10887	15.6
161.05972	1.1
161.09550	0.5
163.07536	1.6
163.14774	0.7
165.05382	0.6
165.12650	0.6
167.06989	1.1
171.11504	1.0
173.13235	70.5
174.13521	1.0
175.14783	4.8
177.05602	0.5
177.07484	0.7
179.03387	4.0
179.07005	1.3
181.04945	0.7
189.12778	1.0
191.14278	100.0
192.14572	1.4
193.08519	0.7
193.15854	0.6
209.15302	1.8
291.10516	0.8
292.11066	0.6
305.17361	1.8
323.18356	1.8
323.86844	0.5
327.04950	0.7
341.13651	0.9
344.07620	0.7
353.19519	0.5
518.96558	0.5
520.19922	1.6
521.18182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01855	4.9
55.05503	23.4
57.03418	6.1
57.07066	5.3
57.42995	1.7
59.04986	1.8
65.03947	2.5
67.05498	52.6
68.20545	1.9
68.75251	1.7
69.03413	3.1
69.07057	18.3
70.02942	1.9
71.04971	4.4
71.63037	2.7
71.63410	3.3
79.05485	23.5
81.03403	21.9
81.06578	3.6
81.07043	55.8
83.04974	5.3
83.08604	20.0
85.02897	11.0
85.06509	4.8
87.93385	1.9
91.05447	26.7
93.07023	26.4
95.04953	13.4
95.08590	39.7
95.09167	4.2
97.06504	6.0
97.10143	6.7
99.08079	3.1
105.07015	26.0
107.04917	2.9
107.08580	28.5
109.06520	6.9
109.10135	30.4
111.08035	6.4
113.05999	2.3
115.05489	2.2
117.06995	6.0
119.08559	21.9
121.06478	2.7
121.10112	16.4
123.08062	4.7
123.11691	9.0
129.06955	5.8
131.08508	10.5
133.10103	20.2
135.08005	3.8
135.11685	12.3
137.09579	3.6
139.11143	2.2
143.08504	5.9
145.10092	12.2
147.08017	3.9
147.11691	18.8
149.09601	5.8
149.13260	3.8
151.11115	2.5
157.10097	9.6
159.11664	7.8
161.09552	4.5
161.13249	8.4
163.11176	4.5
165.12723	3.8
167.05531	3.4
169.10019	3.6
171.11661	3.8
173.13249	8.1
175.11160	6.0
175.14824	6.4
177.12723	3.5
183.11664	3.4
185.13222	2.2
187.14819	6.8
189.11200	2.6
189.16400	3.8
193.12233	16.0
197.13162	4.3
199.14790	6.6
201.16368	4.6
203.14352	2.4
203.17886	2.3
211.13196	17.6
215.17946	2.7
225.16257	3.0
227.12733	6.7
227.17804	3.2
239.04422	2.1
245.18953	3.4
249.18680	2.3
267.15878	5.5
273.18478	6.7
291.19482	9.5
299.06049	4.7
327.23169	2.9
345.24097	10.8
371.25906	2.3
383.29349	3.0
393.28329	2.6
411.28757	7.1
419.20612	2.2
429.30011	2.7
437.34183	3.9
445.33109	2.2
447.30991	100.0
448.31430	6.8
450.81381	2.1
473.36349	12.4
501.35306	9.6
519.37244	67.6
520.37091	4.5
534.01819	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.0
67.05486	9.6
69.07048	11.9
70.41808	15.5
79.05482	13.4
81.07043	25.1
83.08595	6.9
85.06577	3.4
91.05456	18.1
93.07034	32.4
95.04970	3.8
95.08598	37.5
97.06500	4.0
98.20831	4.4
99.08075	27.8
105.07008	54.5
107.08582	67.8
109.06500	3.3
109.10136	18.2
117.07048	5.5
119.08563	100.0
121.06473	9.0
121.10119	28.6
123.08095	7.1
123.11665	9.1
125.09665	3.9
131.08551	64.1
133.10120	57.3
135.08031	5.9
135.11674	14.0
137.05966	4.3
137.09586	4.1
143.08528	14.6
145.10095	66.1
147.08014	9.6
147.11658	72.9
149.09581	4.4
149.13226	11.3
157.10103	23.4
158.10884	4.8
159.11646	35.9
161.09605	11.9
161.13214	30.6
163.11125	9.3
163.14760	10.2
169.10094	5.4
171.11661	15.3
173.13245	59.1
175.11224	6.6
175.14813	67.5
177.08992	3.7
177.12732	6.1
177.16386	5.4
179.14371	8.7
181.10072	3.8
183.11696	10.8
185.13182	31.1
187.11217	5.7
187.14793	90.8
189.12779	21.9
189.16383	12.7
191.14293	44.6
195.13663	4.5
197.13239	6.9
199.14793	33.3
201.12749	6.4
201.16354	77.4
203.14334	12.5
203.17961	7.6
207.13844	4.4
211.14795	5.9
213.16379	14.2
215.14337	10.7
215.17912	5.1
217.12212	4.8
217.15930	6.8
219.13895	8.7
219.17430	27.1
227.18005	7.5
231.13837	4.9
231.17368	4.6
235.13162	22.1
237.14771	7.0
243.13768	4.1
245.15271	6.2
247.16837	5.9
249.14865	5.7
259.16876	5.5
373.28894	15.9
391.29922	30.1
393.31335	13.1
409.30893	35.3
411.32513	6.7
419.29480	21.8
437.30533	58.5
439.31732	4.2
455.31522	65.8
465.30011	16.8
473.32364	16.1
483.30872	30.2
484.73837	4.2
501.31784	11.3
526.44714	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16384	3.2
55.05503	12.2
67.05490	18.6
67.88255	3.9
69.07068	23.2
69.55909	33.1
79.05485	13.2
81.07041	35.7
83.08600	17.1
85.02891	5.2
91.05470	21.7
93.07029	34.1
95.04954	6.6
95.08596	50.8
99.08092	5.6
105.07018	66.0
107.08578	62.0
109.06492	12.4
109.10145	36.0
111.08076	8.8
117.06999	6.0
119.04839	3.9
119.07784	7.2
119.08574	100.0
121.06507	5.4
121.10105	43.5
123.08067	5.8
123.11681	12.7
125.05976	6.2
129.06989	8.0
131.08563	43.0
133.10098	64.8
135.08037	12.3
135.11664	28.0
137.05927	13.1
137.09579	5.4
143.08537	19.1
145.10101	75.1
145.56654	3.8
147.08069	6.4
147.11664	32.4
149.05971	4.6
149.09616	5.2
149.13191	20.9
155.08551	4.5
156.09305	5.5
157.10101	30.3
159.11684	31.9
161.09610	11.9
161.13255	41.5
163.11198	10.7
163.14806	32.8
167.06972	5.4
169.10110	4.5
170.10899	8.3
171.11638	19.7
173.13249	67.9
175.11203	6.2
175.14809	82.4
177.09058	7.0
177.12686	8.4
177.16418	15.6
183.11687	9.1
185.13231	50.1
187.14789	94.8
189.12773	18.0
189.16315	24.6
191.14297	51.4
191.17931	17.4
197.13237	6.7
199.14763	34.1
201.16328	51.5
203.14360	20.6
203.17966	29.6
205.15872	13.5
207.13699	6.4
211.14870	6.9
213.16336	21.6
215.14214	6.5
217.15843	13.6
217.19569	4.7
219.13773	7.3
219.17413	13.7
221.15375	7.7
227.17946	8.0
229.15990	8.1
229.19456	4.8
233.15385	5.9
235.13136	5.7
235.16893	5.3
237.14685	8.7
245.15352	12.2
247.16962	21.6
249.14825	16.4
253.19614	6.0
257.15417	7.5
259.16849	11.9
273.18372	4.3
321.24234	6.4
371.26355	5.3
373.29007	9.3
375.30560	9.0
391.29880	30.9
393.31339	12.2
409.31073	34.7
411.32578	12.8
419.29498	24.9
421.31076	8.1
427.32089	7.5
437.30484	55.1
439.31747	8.9
455.31476	80.2
457.33221	10.0
465.29941	10.7
473.32742	22.2
483.30948	11.7
496.69858	5.2
501.31918	8.6
519.19977	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	519.3308
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
52.72612	4.6
55.05506	11.2
56.66760	4.2
67.05489	15.5
69.07051	16.8
69.45223	42.0
79.05479	11.6
81.07037	31.5
83.08611	8.9
91.05473	18.4
93.07034	26.2
95.08593	41.5
98.21495	6.4
99.08067	10.2
104.34924	4.5
105.07017	54.1
107.08574	57.4
109.06483	6.3
109.10130	28.6
114.79250	5.0
117.06990	8.3
119.07771	8.8
119.08567	100.0
121.06457	11.7
121.10141	36.2
123.08077	10.4
123.11713	6.8
129.06999	6.2
131.08531	39.0
133.10107	60.1
135.08044	9.0
135.11662	20.1
143.08549	22.2
145.10110	64.9
147.08051	7.7
147.11665	41.1
149.09671	5.6
149.13231	18.1
157.10097	31.2
159.11690	43.2
161.09590	5.0
161.13235	27.9
163.11221	7.4
163.14815	19.1
169.10132	7.1
170.10896	8.6
171.11668	18.1
173.13223	59.7
175.11230	6.3
175.14812	76.8
177.12715	9.1
177.16338	14.5
179.14288	6.5
183.11639	5.8
185.13220	40.5
187.14812	87.9
189.12730	14.7
189.16351	19.5
191.14316	32.7
191.18013	5.7
197.13239	7.1
199.14746	23.8
201.12692	6.0
201.16339	53.4
203.14267	16.3
203.17935	13.5
205.15872	11.6
213.16362	17.9
217.12289	4.9
217.15761	10.7
217.74930	5.1
219.13806	9.5
219.17413	8.8
225.16255	4.9
227.17815	8.6
229.15881	5.7
231.13792	6.6
235.13365	7.2
247.16943	8.0
249.14870	18.2
259.16858	9.6
273.18237	4.9
277.87100	4.2
319.24347	6.2
371.25961	7.7
391.29874	28.2
393.31387	10.1
409.30902	30.8
419.29419	33.7
421.31116	5.7
437.30490	48.8
455.31549	64.5
465.29907	9.3
473.32565	13.0
483.30939	9.4
501.32086	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	519.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.4
63.58792	2.3
67.05490	10.4
69.07052	7.9
69.45026	8.4
69.45430	14.8
69.90017	2.2
79.05469	12.0
81.07040	20.8
83.08611	5.4
91.05479	19.8
93.07034	29.4
95.08591	30.9
97.06552	3.3
99.08092	25.8
105.07029	55.1
107.08581	49.4
109.10152	16.8
111.08086	3.3
117.07021	5.0
119.08572	100.0
121.06483	8.3
121.10112	18.8
123.08031	8.1
123.11647	3.0
129.06973	4.1
131.08556	50.3
133.10120	51.8
135.08047	6.1
135.11678	19.0
135.32735	2.8
142.07753	4.0
143.08563	17.1
145.10097	56.3
147.08061	5.3
147.11679	76.1
149.09615	6.6
149.13226	11.4
157.10083	18.0
158.10971	2.9
159.11659	39.1
161.09679	13.0
161.13217	29.1
163.11110	8.0
163.14835	13.9
169.10150	5.6
171.11661	14.8
173.13251	43.1
175.11310	3.2
175.14810	62.5
177.12753	4.5
177.16359	5.0
179.14325	6.6
183.11685	11.7
185.13271	25.9
187.11259	3.9
187.14807	86.4
187.20642	2.4
189.12831	14.5
189.16356	15.8
191.14282	33.8
195.11987	3.1
195.13754	6.5
197.13283	4.6
199.14810	27.0
201.12729	6.4
201.16368	68.1
203.14301	10.6
203.17953	5.1
205.15868	6.6
209.13257	6.7
213.16360	12.6
215.14320	11.9
215.17860	4.0
217.15884	10.2
219.13843	6.5
219.17436	17.5
223.14796	4.0
227.17879	6.5
229.15866	5.9
229.19379	4.5
231.13744	3.7
233.15305	3.6
235.13159	18.8
243.17389	3.4
245.15372	7.1
249.14850	5.4
259.16992	3.7
264.37283	3.2
284.75797	3.0
305.22836	3.1
352.04739	2.6
371.53665	2.9
373.28830	7.7
375.30328	4.5
391.29974	34.2
393.31445	11.3
401.28040	3.3
409.30875	31.0
411.32626	5.2
419.29437	25.6
427.32138	5.6
437.30505	56.7
455.31604	61.2
465.30005	10.3
473.32416	20.3
483.30908	27.5
501.32156	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	519.3311
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
55.01835	4.8
55.05507	26.0
57.03397	4.9
57.07040	3.1
59.04977	3.4
61.04130	1.6
62.63411	1.4
65.03912	3.4
67.05496	97.9
69.03435	8.5
69.07055	28.3
69.63842	1.6
69.64211	11.0
71.04945	4.9
74.72967	1.4
79.05484	23.3
81.03363	6.7
81.07046	41.3
83.04930	3.8
83.08606	14.6
85.02847	2.0
85.06506	3.9
91.05450	25.4
92.42918	1.5
92.49065	1.5
93.07033	24.8
93.24371	1.4
95.04966	9.2
95.08592	24.6
97.02876	7.5
97.06474	4.9
97.10139	9.7
104.30893	1.3
105.07022	16.7
106.71970	1.6
107.04888	6.5
107.08581	21.4
109.06421	4.3
109.10143	51.0
111.08030	4.1
117.06926	5.7
119.04828	1.8
119.08572	19.6
121.06475	3.2
121.10147	10.1
123.07968	4.6
123.11650	3.3
125.09632	7.5
129.06956	2.5
131.08540	9.3
133.06392	2.2
133.10144	8.7
135.07967	3.0
135.11594	5.6
137.09535	5.0
143.08508	2.2
145.10124	7.5
147.07971	3.2
147.11574	6.4
147.22446	1.4
149.09523	2.3
149.13164	3.9
151.11093	2.8
153.08971	2.5
155.10536	2.1
157.10008	3.6
159.11560	3.2
161.09474	4.0
161.13148	3.1
163.11105	2.3
163.14771	1.6
165.12619	1.9
167.05527	2.8
171.11542	2.6
173.11786	10.5
173.13051	3.2
175.11060	2.3
175.14786	2.3
177.12634	2.6
185.13094	2.4
186.59767	1.5
187.11035	2.0
187.14684	2.0
189.11026	2.5
189.16277	2.1
193.12148	4.0
205.12097	2.1
211.13203	4.2
223.13226	11.4
227.12660	7.2
229.14256	2.4
245.18814	2.6
249.14706	2.5
268.45041	1.7
273.18442	15.4
273.61966	1.5
291.19498	81.6
291.22751	2.7
299.05807	2.7
347.21725	2.4
365.23059	2.0
413.30655	1.9
427.31723	1.8
427.68625	1.9
501.30396	1.6
501.35776	3.9
519.32617	100.0
520.32800	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	519.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	3.1
57.03426	1.5
57.07064	1.9
67.05496	11.0
69.03404	4.4
69.07050	1.6
69.41279	7.3
69.41690	2.0
69.76253	1.1
71.04965	2.3
73.02889	3.0
79.05482	2.3
81.07032	2.6
83.04951	2.0
85.02897	6.6
85.06537	9.0
90.54459	1.1
91.05453	2.2
93.07050	6.8
95.04947	3.3
95.08588	67.7
97.02867	3.6
97.06500	2.4
99.04460	1.4
105.07011	5.8
105.41898	1.1
107.08569	9.4
109.02847	2.3
109.06486	3.8
109.10168	1.4
113.05991	9.9
115.03872	1.4
119.08564	14.8
121.06469	1.9
121.10119	5.0
123.08050	23.6
123.11659	2.3
127.03893	3.6
131.08559	1.7
133.06393	1.6
133.10065	3.0
135.08083	1.7
135.11661	11.3
137.05930	2.2
137.09589	2.8
145.04900	1.3
145.10045	1.6
147.08005	1.6
147.11678	5.3
149.09599	33.2
151.07561	1.7
151.14790	2.5
153.01785	4.3
161.09595	1.0
161.13222	9.0
163.11122	8.1
165.09148	1.1
165.12703	4.7
167.05498	2.2
167.06929	1.2
171.11652	2.9
179.14224	2.0
185.06128	1.1
185.72762	1.2
189.12701	16.1
207.13759	100.0
208.14084	1.9
225.14789	7.9
299.06189	2.2
311.27261	1.0
381.17523	1.0
519.16321	2.3
519.24243	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.2
57.07061	0.8
67.05495	5.4
68.05835	0.8
69.07058	2.9
71.04972	1.9
71.63084	1.1
79.05467	2.3
80.05830	0.7
81.07035	6.9
83.04965	1.1
83.08591	1.4
86.09697	1.2
91.05466	2.5
93.07029	4.6
95.08589	5.8
96.08954	0.6
97.06511	1.5
97.10151	1.3
99.08086	0.6
104.10694	0.8
105.07014	3.7
107.08579	8.3
108.08876	0.6
109.06554	1.0
109.10150	6.8
111.08076	0.8
112.99998	1.7
116.36035	0.6
117.06992	1.0
119.08542	5.8
121.10136	4.5
123.08031	1.4
123.11689	2.4
125.09596	1.5
127.11188	3.5
131.08568	1.7
133.10130	4.3
134.10480	0.7
135.08047	0.8
135.11691	2.3
137.05959	0.7
137.09572	1.1
137.13240	0.7
143.08522	1.4
145.06396	0.7
145.10103	2.6
147.11656	6.4
149.09605	1.2
149.13268	1.7
150.09839	0.7
153.12752	0.7
156.09366	0.7
157.10109	2.0
159.11656	4.0
161.13254	2.1
163.11201	0.9
163.14775	0.6
165.12711	1.8
169.10062	0.6
171.11639	2.7
173.13170	3.2
175.14764	2.8
183.11858	0.5
184.07323	3.3
185.13266	1.6
187.14789	3.1
189.12759	0.7
189.16380	1.7
191.14301	0.8
197.13263	2.3
199.14838	2.5
201.16418	1.2
203.14516	0.7
205.15767	0.9
209.13170	0.7
210.13930	0.7
211.14825	1.2
213.16368	0.9
215.17822	0.7
217.15984	0.9
225.16412	0.8
241.19446	0.8
251.17952	0.6
253.19484	0.6
255.21068	1.0
261.18631	0.8
273.18393	0.8
273.22192	0.6
288.67023	0.6
291.19614	0.8
293.22604	0.8
297.21860	0.7
299.05960	1.0
332.26743	0.7
343.26514	0.9
351.26727	0.6
367.26132	0.6
367.77136	0.6
379.30112	0.7
397.31189	0.7
406.30298	2.1
418.90411	0.7
419.32993	2.7
437.34259	3.5
455.35245	3.6
473.36218	100.0
474.36609	3.1
487.10706	0.6
496.20334	0.5
518.35406	1.4
518.41833	3.6
519.33014	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
54.51455	0.2
55.05495	1.0
56.05027	1.2
56.65019	0.2
57.03434	0.4
58.06560	1.4
59.07376	0.2
60.08159	17.4
67.05499	2.6
69.07043	0.7
70.06577	0.2
70.71745	0.2
70.78182	0.6
71.07370	6.2
77.68632	0.2
79.05476	2.1
81.07051	2.3
83.08608	0.3
86.09697	50.9
87.10030	0.2
91.05491	0.7
93.07030	2.3
95.08572	1.8
98.38052	0.2
98.98460	3.5
104.10734	100.0
105.07027	0.8
106.34474	0.2
107.08618	1.1
109.10167	0.5
117.07038	0.3
119.08566	0.6
121.10134	0.6
124.99993	29.3
131.08580	0.4
133.10143	0.4
135.11615	0.4
143.01021	0.3
159.11639	0.3
163.01544	0.7
181.02567	0.3
183.84285	0.2
184.07323	96.7
185.07646	0.5
200.38806	0.3
258.10950	1.3
335.25876	0.6
337.09644	0.3
457.46198	0.3
500.31332	8.7
518.32391	34.8
519.32831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.1
56.05020	0.4
57.03417	0.2
58.06616	0.4
59.07379	0.1
60.08155	5.5
63.26565	0.1
67.05493	0.7
69.07071	0.1
70.06581	0.1
71.04236	0.1
71.07365	2.5
75.62157	0.1
79.05486	0.3
81.07050	0.5
86.09695	27.6
87.10021	0.1
88.56883	0.1
91.05470	0.2
93.07031	0.3
95.08593	0.4
98.98452	2.5
100.04342	0.1
104.10030	0.1
104.10728	2.9
105.07006	0.1
107.08582	0.1
109.10133	0.1
114.60152	0.1
119.08546	0.1
121.10139	0.1
123.24329	0.1
124.99988	19.0
133.10130	0.1
143.01039	0.2
166.02641	0.1
184.07315	100.0
185.07678	0.7
196.37645	0.1
258.10989	0.3
335.25650	0.1
357.14359	0.1
500.31229	1.3
518.32367	3.6
519.32794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3881
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
55.05504	11.8
57.03427	5.9
57.07068	3.0
65.03918	1.9
65.42153	1.1
67.05502	22.5
69.07061	11.5
71.04990	1.6
71.08596	1.3
71.62862	1.7
79.05479	18.1
81.07049	29.9
83.04974	2.7
83.08610	6.5
91.05468	13.3
93.07027	22.8
95.04964	4.0
95.08597	21.2
95.09167	2.3
97.06528	4.5
97.10161	3.6
99.08100	1.4
103.13999	1.2
105.07025	16.4
106.91367	1.2
107.08573	18.0
109.10146	11.8
111.08088	1.3
117.07010	4.5
119.08571	16.5
121.10130	13.9
123.11713	3.4
129.07008	2.7
131.08536	11.1
133.10123	15.5
135.11668	9.7
143.08580	4.3
145.10101	11.7
147.11668	11.5
149.09677	1.6
149.13225	6.5
152.70032	1.2
155.08600	4.0
157.10123	4.7
159.11681	10.6
161.13223	9.0
163.11136	1.4
163.14835	3.0
171.11702	6.6
173.13228	6.4
175.14819	2.9
177.12715	1.8
183.11731	2.3
184.07346	1.8
185.13321	4.9
187.14841	3.9
189.16342	1.5
197.13249	1.4
198.57327	1.3
199.14828	3.5
201.16383	2.5
209.13263	1.7
211.14796	2.5
229.07019	1.4
259.20560	2.4
261.22043	1.3
285.22629	2.0
287.85718	1.3
299.23657	1.6
313.25122	1.9
327.26901	1.8
333.24472	2.1
361.27798	1.5
386.45197	1.5
407.33160	2.4
425.33939	10.8
443.35233	3.5
471.24796	1.4
499.37750	13.8
517.38855	100.0
518.39032	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51986	1.7
52.53768	1.9
53.03935	3.2
55.01848	2.8
55.05502	15.5
57.03421	2.9
57.07051	7.8
59.04976	2.8
65.03928	2.2
67.05498	26.8
68.29234	1.9
69.03416	9.1
69.06725	2.2
69.07063	38.0
69.54623	16.3
71.04975	6.1
79.05490	14.5
81.03405	4.8
81.07046	100.0
83.04964	7.4
83.08607	14.2
85.02885	7.6
85.06535	8.8
86.20719	1.8
90.07689	1.7
91.05456	17.0
93.07034	44.5
95.04977	9.1
95.08594	70.2
97.02873	4.5
97.06503	10.2
97.10141	5.8
99.04430	10.3
99.08074	3.7
101.06000	2.5
105.07019	37.0
107.04912	4.1
107.08582	44.3
108.41665	1.8
109.02900	3.4
109.06484	12.7
109.10144	42.2
111.08050	5.7
111.11713	3.7
115.03931	2.1
115.34712	2.0
117.05460	1.8
117.07001	4.4
119.04881	2.5
119.08570	31.4
121.06489	5.7
121.10132	34.1
123.04421	2.9
123.08071	8.6
123.11694	30.3
125.05959	2.0
125.09583	3.1
125.13306	2.3
127.03877	2.7
127.07544	7.4
127.11166	4.2
131.04889	2.5
131.08540	13.3
133.06494	2.9
133.10112	30.3
135.08017	6.4
135.11687	32.3
137.05916	11.9
137.09570	5.6
137.13248	27.1
139.07518	2.0
143.08533	5.1
145.06447	2.3
145.10088	18.3
147.04422	2.8
147.08067	2.2
147.11661	42.1
147.13474	2.0
149.05963	3.8
149.09601	7.8
149.13242	25.5
151.07454	4.5
151.11165	24.9
151.14771	3.2
153.09068	2.4
153.12682	4.1
155.10623	2.6
155.14267	2.4
156.09296	2.2
157.10109	8.4
159.11667	13.5
161.05952	2.5
161.09581	5.4
161.13158	10.1
163.11162	4.6
163.14771	6.6
165.12720	18.5
165.16383	3.3
167.07076	3.7
167.10643	4.2
167.14314	2.0
168.57947	1.8
169.10071	2.5
169.12224	2.7
171.11681	6.4
173.09694	2.3
173.13229	14.7
175.11211	10.8
175.14812	18.7
177.12773	10.2
177.16382	4.1
179.10687	5.4
179.14211	3.4
181.12178	4.9
183.11594	3.9
183.13799	5.4
185.13145	8.7
187.14824	10.8
189.12750	3.9
189.16333	2.6
189.63885	1.9
191.10622	2.1
191.14265	5.5
191.18132	2.3
193.12241	39.6
195.13788	23.8
197.13264	2.0
199.14851	4.8
201.12750	4.4
201.16336	6.9
203.14291	4.5
205.19449	3.8
207.13763	6.2
209.15321	4.2
211.13255	7.0
213.14763	13.1
215.14273	2.1
215.17827	2.5
217.15849	2.4
219.13727	2.9
220.38988	1.8
223.17041	2.3
229.14294	20.4
233.15340	2.9
235.16869	2.6
237.14822	3.6
245.18738	2.2
247.13240	2.5
259.24390	2.4
263.20010	8.3
283.23999	2.7
291.26840	2.2
301.25253	5.5
319.23059	3.2
319.26276	61.8
337.23212	3.1
337.27328	57.8
355.28458	2.6
407.29602	2.2
435.29135	3.4
453.29834	6.8
471.31122	17.8
481.28879	2.0
485.15982	2.5
499.17447	2.3
499.30328	5.5
517.18243	7.2
517.29877	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	517.3158
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
53.03931	6.3
55.01856	3.2
55.05271	2.8
55.05503	16.9
57.03414	4.2
67.05484	18.0
69.03410	11.5
69.07063	17.8
69.37135	27.8
73.02911	6.1
73.21735	3.5
79.05477	23.7
81.03426	6.8
81.07047	48.8
83.04965	7.1
83.08592	11.6
85.02873	7.6
85.06525	9.0
91.05465	38.6
93.07036	53.1
95.04941	11.4
95.08602	52.9
97.02870	7.5
97.06524	4.8
99.08089	6.1
103.05408	4.2
104.07086	5.2
105.03376	3.0
105.07021	70.0
107.04926	4.5
107.08588	67.3
109.02910	3.8
109.06494	10.0
109.10150	37.6
111.04443	4.5
111.08054	5.5
115.05421	4.7
117.06997	22.3
119.08566	100.0
121.06507	9.1
121.10128	40.9
123.04411	14.5
123.08038	6.1
123.11694	11.1
127.03885	9.5
128.06183	6.1
129.06984	15.2
130.07724	3.9
131.08551	72.1
132.09009	2.8
133.06476	9.7
133.10123	69.1
135.04410	4.5
135.08015	11.2
135.11691	23.9
137.05998	8.7
137.09593	4.4
137.13226	5.2
141.06984	5.2
142.07777	10.0
143.02011	3.4
143.08536	39.9
144.09364	4.9
145.04941	6.7
145.10101	96.2
147.04424	4.4
147.08028	10.1
147.11665	37.7
149.05951	4.2
149.09607	7.6
149.13251	20.0
151.07460	5.2
153.09140	7.9
155.08568	11.4
156.09329	11.9
157.10106	41.8
158.10968	6.5
159.08069	9.6
159.11694	55.9
161.05983	5.6
161.09627	18.4
161.13251	40.2
163.07494	8.7
163.11133	4.9
163.14819	34.0
165.09183	4.4
167.07047	7.0
167.08560	4.7
167.10719	4.9
168.09367	4.6
169.10129	15.3
170.10890	6.8
171.08047	4.5
171.11661	40.9
172.12276	3.7
173.09599	9.1
173.11821	3.2
173.13251	62.8
175.07524	9.0
175.11188	10.7
175.14812	31.2
177.09097	5.9
177.12758	8.8
177.16336	14.2
179.08575	3.9
179.10620	3.8
181.10135	4.1
183.11673	25.2
184.12369	3.8
185.09613	6.2
185.13246	62.3
187.11224	10.8
187.14796	100.0
188.15059	3.9
189.09113	3.7
189.12733	47.6
189.16345	38.6
191.10699	4.2
191.14278	16.3
191.17905	19.0
193.10149	4.9
195.11682	5.1
197.09639	4.6
197.13255	11.4
199.11113	9.2
199.14809	31.6
201.09187	5.3
201.12714	13.7
201.16374	75.8
203.10693	20.8
203.14308	24.1
203.17909	40.2
205.12234	8.9
205.15829	4.2
207.11835	4.1
207.13843	10.6
209.13313	3.5
211.11227	4.5
211.14801	6.9
213.12762	6.2
213.16353	9.5
215.10747	7.0
215.14330	13.1
215.17763	4.8
217.12119	14.7
217.15808	8.5
219.10150	4.4
219.13846	9.5
219.17384	6.6
221.11594	6.0
223.14815	3.6
225.16350	7.9
227.14311	5.6
227.18015	6.8
229.12088	4.6
229.15840	8.0
229.19592	3.9
231.13684	6.3
233.11659	7.0
235.13229	7.3
235.16823	5.7
239.17940	6.0
241.19524	4.8
243.13829	5.8
245.15302	9.0
247.13026	4.1
247.16844	15.3
249.14697	16.2
251.12726	23.6
257.15302	3.2
259.16800	3.2
261.14798	6.4
265.14325	13.2
277.14206	3.9
305.17453	4.7
337.23535	3.6
353.24374	4.3
371.26047	5.5
389.28418	8.6
390.58981	3.4
391.29895	9.8
397.27634	3.3
405.27759	16.6
407.29364	13.5
417.27698	13.3
419.29343	7.7
423.28833	11.4
425.30542	4.5
433.27411	4.0
435.28928	36.3
436.29266	4.1
437.30518	11.8
451.28497	23.7
453.29947	55.0
455.31534	33.0
463.28503	9.4
469.29504	23.1
471.31042	27.3
473.32498	7.9
481.29684	17.5
499.30612	27.4
517.18652	10.0
517.31818	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
55.01859	5.8
55.05504	11.9
57.03425	3.8
57.07066	4.6
64.58369	2.9
65.03937	4.1
67.05492	24.4
69.03413	14.5
69.07047	20.6
71.04983	13.1
71.62411	5.0
79.05484	30.2
81.03408	14.2
81.07036	55.8
83.04981	10.9
83.08607	11.4
85.02901	17.1
85.06553	12.0
91.05471	26.9
93.07028	56.8
95.04976	15.2
95.08589	49.0
97.02882	9.7
97.06517	15.3
97.10149	3.1
99.04459	7.8
99.08073	28.2
103.05413	3.7
105.03406	3.6
105.07012	58.4
107.04920	4.1
107.08575	67.5
109.02855	9.5
109.06513	13.1
109.10152	32.8
111.04476	4.9
111.08070	7.6
113.06020	5.3
113.09621	3.1
113.66421	3.0
114.39980	2.8
115.05416	4.3
117.07009	10.5
119.04954	3.1
119.08560	74.8
121.06508	14.4
121.10139	37.0
123.04488	3.7
123.08037	13.8
123.11677	15.6
125.05997	5.6
125.09634	8.8
127.03897	8.4
127.07511	4.5
127.11243	5.9
128.06187	5.4
129.05478	6.4
129.06990	8.9
131.08542	41.0
133.06487	5.3
133.10123	43.9
135.08061	19.5
135.11661	20.6
136.08566	2.9
137.05963	18.4
137.09619	7.1
139.07518	4.0
139.11127	3.9
142.07753	6.2
143.08556	18.8
144.09308	4.3
145.08562	4.0
145.08932	5.0
145.10110	55.9
147.04372	9.7
147.08023	8.6
147.11665	49.7
149.05952	5.2
149.09605	12.0
149.13242	10.0
151.07562	6.4
151.11165	4.4
153.01860	17.4
153.12759	8.1
154.02145	8.1
155.08548	5.9
156.09297	5.1
157.10129	25.8
159.07993	4.2
159.11661	33.2
161.09634	10.8
161.13190	15.5
163.07480	4.1
163.11133	17.8
163.67737	3.8
165.09113	4.8
165.12766	6.3
166.47339	3.2
167.07040	41.2
167.10754	4.0
167.14304	11.4
168.14690	5.8
169.10146	14.6
170.10764	3.7
171.11656	27.3
172.12291	3.0
173.09569	8.9
173.13228	50.3
174.13596	3.4
175.07568	6.5
175.11150	11.4
175.14783	15.3
177.12683	4.6
177.16299	3.1
181.08542	5.9
181.10060	4.3
181.12241	4.3
183.11627	17.8
185.09631	3.9
185.13231	30.5
187.07495	4.0
187.11168	8.9
187.14809	46.6
189.09041	3.2
189.12764	13.4
189.16414	4.7
191.07028	4.5
191.14348	8.3
193.08588	4.8
193.12306	5.9
195.11719	5.5
197.13220	15.8
199.11180	3.9
199.14810	22.4
201.16298	14.9
203.14325	11.9
205.10245	3.6
205.12250	5.9
205.15906	8.9
207.13675	4.2
209.13289	4.3
211.14803	9.9
213.16422	11.0
215.14305	3.6
217.15787	8.3
219.13896	7.0
221.15347	3.8
223.14888	4.9
224.16447	11.6
229.10011	3.2
233.15564	4.9
243.17549	4.9
251.12660	3.7
253.19640	3.7
257.15295	3.2
258.20593	3.7
283.20624	4.6
300.88998	3.4
301.21829	7.1
313.17856	5.9
315.07062	3.2
319.22672	13.9
319.26334	4.6
331.19049	8.9
337.23657	7.0
337.27173	3.8
373.28848	3.3
389.28323	9.8
391.29904	5.1
399.25494	14.0
407.29324	16.5
417.27747	10.0
425.30292	4.2
435.28992	20.1
445.29413	6.0
453.30035	36.7
471.30969	100.0
473.23157	6.2
481.29462	6.9
499.18607	3.7
499.30460	9.9
517.19592	14.8
517.25891	12.1
517.32074	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	517.3155
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
55.05260	3.3
55.05489	15.1
62.32445	2.2
67.05495	22.1
69.03411	7.3
69.07059	20.7
71.04932	2.5
79.05489	20.4
81.03403	8.4
81.07043	43.3
83.04987	2.8
83.08603	8.1
91.05470	31.3
93.07026	34.4
95.04944	8.1
95.08588	50.2
98.20766	5.7
105.07013	77.8
107.04926	4.0
107.08582	49.2
109.02869	4.3
109.06480	5.4
109.10141	27.1
111.08029	3.3
111.11746	2.3
115.05444	7.5
116.06219	3.1
117.06992	22.2
119.08564	87.5
121.06480	8.1
121.10126	34.0
123.08027	4.4
123.11664	8.4
125.05992	4.0
127.03876	4.8
128.06200	4.8
129.06967	13.3
130.07796	3.4
131.08549	60.9
133.06517	4.9
133.10120	59.8
135.08031	5.6
135.11652	17.9
137.05963	5.2
137.09633	2.9
141.06937	2.9
142.07784	11.1
143.08536	35.2
144.09302	4.5
145.06514	5.6
145.10098	81.1
147.08014	14.2
147.11661	39.2
149.05916	7.2
149.09598	3.2
149.13223	19.5
153.09087	3.9
154.07782	4.1
155.08461	11.6
156.09335	10.8
157.10106	36.6
158.10901	3.1
159.08017	5.5
159.11674	51.6
161.05984	3.9
161.09596	15.0
161.13229	37.5
163.07581	3.3
163.11105	4.4
163.14793	35.8
165.09045	2.7
169.10088	13.1
170.10841	4.7
171.11656	36.5
173.09521	5.6
173.13210	45.7
174.13925	2.4
175.07472	4.1
175.11189	6.1
175.14828	30.4
177.09068	4.1
177.12737	6.8
177.16393	18.1
179.10632	3.5
181.10118	3.5
182.07773	2.3
183.11656	22.5
185.09637	6.6
185.13220	46.2
187.07480	2.8
187.11177	8.7
187.14795	100.0
189.09035	3.1
189.12720	51.5
189.16336	34.5
191.10559	4.0
191.14297	13.6
191.17899	25.7
191.21040	2.4
193.10143	3.7
195.11707	3.0
197.09608	3.1
197.13202	8.8
199.11165	9.2
199.14783	24.0
201.09029	2.6
201.12862	12.0
201.16357	75.9
203.10640	16.7
203.14334	16.3
203.17923	52.2
205.12254	8.0
205.15869	4.7
207.13800	12.3
209.13219	4.3
211.14876	6.8
213.12608	3.0
213.16388	10.8
215.10706	4.3
215.14284	7.8
215.17932	5.7
217.12236	18.9
217.15831	7.6
217.19655	2.9
219.13763	8.2
219.17278	4.3
221.11697	8.9
223.14819	4.7
225.16406	5.6
227.17813	4.6
229.12221	6.2
229.19388	6.8
229.78166	2.6
231.13766	9.0
231.21024	3.3
233.11679	4.0
233.15352	6.3
235.13188	5.3
235.16956	6.0
239.18016	2.7
241.19398	3.1
243.13771	7.1
243.17447	3.8
245.15321	4.6
247.13129	3.6
247.16873	13.0
249.14781	20.8
251.12741	21.7
251.18076	3.9
261.14734	5.5
265.14288	12.3
277.14319	2.6
307.24301	2.9
311.19962	2.7
353.24475	2.7
371.26498	4.4
373.28998	3.2
387.26822	4.0
389.28250	7.6
391.29871	5.1
405.27814	12.4
407.29434	15.3
417.27823	15.8
419.29333	6.6
423.28751	15.2
433.27359	6.6
435.28870	39.2
437.30542	10.3
445.26657	3.4
451.28323	24.6
452.28299	3.2
453.29993	55.5
455.31503	30.3
463.28369	7.9
469.29477	21.5
471.30832	18.6
473.32727	11.8
481.29453	11.8
499.30359	23.0
517.18134	2.4
517.31921	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	517.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.3
55.05498	11.7
57.07075	6.6
67.05518	16.8
69.03435	7.8
69.07057	14.0
70.16192	17.9
71.04996	6.4
79.05479	24.9
81.03418	9.1
81.07047	46.8
81.77900	3.0
83.04972	4.5
83.08602	8.7
85.02894	9.4
85.06540	8.4
91.05463	23.2
93.07037	43.3
95.04973	12.9
95.08606	43.1
97.06519	9.4
99.08092	21.8
102.91913	3.7
105.07025	78.1
107.04916	4.9
107.08582	55.1
109.06500	11.0
109.10119	26.3
111.04429	3.6
111.08052	5.8
111.11694	3.1
115.05435	5.3
115.84380	3.0
117.07003	18.3
119.08570	100.0
121.06508	12.1
121.10143	37.9
123.08092	11.8
123.11692	8.9
127.03912	5.7
129.06993	13.3
130.07767	3.1
131.04948	3.3
131.08563	75.8
133.10117	58.6
135.08060	13.7
135.11659	18.4
137.05952	14.8
137.09601	5.2
141.06911	5.3
142.07785	10.1
143.08543	30.7
144.09375	4.0
145.04869	2.9
145.06454	4.0
145.10106	83.2
145.11275	4.4
147.08078	7.7
147.11678	46.9
149.05891	4.2
149.09654	8.4
149.13261	14.1
155.08545	9.3
156.09373	10.3
157.10109	43.6
157.11255	3.4
158.10873	5.3
159.08083	6.5
159.11658	45.4
161.06049	3.6
161.09596	14.3
161.13222	30.1
163.07494	6.0
163.11147	7.5
163.14807	13.0
165.06897	3.9
169.10133	15.5
170.10925	11.2
171.11667	39.9
173.13258	89.5
174.13614	3.8
175.07529	6.4
175.11227	7.5
175.14816	57.4
176.11816	3.5
177.12680	7.0
177.16412	9.9
179.10695	3.5
179.14311	5.8
181.10094	5.7
183.11674	30.1
184.48146	4.4
185.13237	72.2
187.11136	7.6
187.14815	76.0
189.12721	16.9
189.16393	14.0
191.14294	39.8
195.11710	5.4
197.13234	12.3
199.11223	3.6
199.14818	40.3
201.12743	8.6
201.16414	27.9
203.14304	24.1
203.18016	4.9
205.12448	5.8
205.15886	17.0
207.11774	6.2
209.13289	4.5
211.14856	8.6
213.12750	4.1
213.16342	13.0
215.14284	9.8
215.17914	7.3
217.12328	6.3
217.15874	15.6
217.19705	4.1
219.13843	12.1
219.17477	8.7
221.13350	4.6
221.15387	5.4
223.14893	6.3
225.16391	8.9
227.17912	6.9
231.13826	7.0
232.38354	3.6
233.15388	9.1
235.13260	10.4
239.17899	4.2
243.13850	4.1
245.15381	7.8
247.16867	6.5
256.36780	3.4
271.20480	4.0
313.17960	7.2
331.19107	5.7
355.24591	3.4
371.27264	5.9
373.28732	4.8
381.24301	4.0
389.28217	21.3
391.29953	9.0
399.25378	12.0
405.27707	4.5
407.29468	22.8
409.30963	4.8
417.28018	17.7
417.76181	3.3
419.29691	5.2
423.28833	6.3
425.30713	4.6
435.24008	3.7
435.29041	37.9
437.30551	3.9
439.24817	18.4
441.29892	6.5
451.28387	4.7
453.30054	52.5
455.31708	5.4
463.28476	14.5
471.31030	77.4
481.29547	13.7
499.17584	4.7
499.30292	9.7
517.18469	5.2
517.31647	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	517.3156
Annotation	Adynerin
Peak:m/z	Relative Intensity
51.92443	1.3
55.05504	7.5
57.03428	2.4
57.07047	1.9
62.53005	1.3
65.03944	1.9
67.05227	1.3
67.05499	13.4
67.12264	1.4
69.03416	3.5
69.07062	6.7
70.43933	1.2
71.04991	3.4
71.30731	3.2
79.05480	15.8
81.03400	4.9
81.07039	19.1
83.04945	5.0
83.08597	4.3
85.02884	2.9
85.06529	3.5
91.05469	16.9
93.07034	26.5
94.07328	1.9
95.04937	6.0
95.08590	13.4
97.02849	3.5
97.06520	4.4
97.10160	2.1
99.08083	8.7
105.07016	24.6
107.04919	2.9
107.08576	38.3
108.08920	1.6
109.02839	1.8
109.06482	6.0
109.10127	12.3
111.04436	2.8
111.08050	3.3
117.07008	5.4
117.75785	1.3
119.08566	32.8
119.29254	1.4
121.06468	5.7
121.10125	10.7
123.04408	2.1
123.08042	5.6
123.11659	5.0
125.09584	2.4
128.06140	1.5
129.06982	4.6
131.04796	2.2
131.08556	18.3
133.10127	16.9
134.85783	1.5
135.08020	6.1
135.11671	11.4
137.06013	2.8
137.09567	3.5
141.06950	2.8
142.07741	2.4
143.08533	12.3
145.10107	18.6
147.08066	3.4
147.11679	22.8
149.09552	4.0
149.13240	2.2
151.07483	3.2
153.09048	3.1
153.12691	2.8
155.08514	3.3
156.09366	3.8
157.10120	16.2
158.10822	1.9
159.08046	1.5
159.11688	18.0
160.12038	2.1
161.05914	2.0
161.09581	5.4
161.13255	11.0
163.11237	7.2
163.14804	2.3
169.10094	8.3
170.10939	1.4
171.11664	20.8
173.09657	1.8
173.13240	20.7
175.07465	1.5
175.11180	3.8
175.14755	6.0
177.09082	2.2
177.12642	1.6
179.14250	3.5
181.10187	3.0
183.11671	12.1
185.09575	2.4
185.13234	12.5
187.11089	2.0
187.14841	13.5
189.04846	1.3
189.12761	5.4
189.16313	1.8
191.14314	5.5
193.12079	1.7
195.11638	4.2
197.13199	8.1
199.11093	2.3
199.14761	14.4
201.12701	1.7
201.16336	6.3
203.14291	3.1
207.11667	2.8
207.13791	3.4
209.13206	5.5
211.11343	2.4
211.14786	6.0
213.16362	5.5
215.14247	2.0
215.17961	1.9
217.15843	2.5
223.14780	4.1
225.16368	3.0
227.17920	2.5
229.15976	2.5
239.17848	2.6
243.17322	1.6
249.16333	3.4
251.17928	4.9
253.19467	2.2
259.20230	1.5
267.17322	4.7
269.18930	1.7
285.18619	2.9
289.14352	1.7
295.16873	3.2
311.20041	1.8
313.17911	9.1
317.22650	3.4
331.18976	10.4
335.23477	2.5
363.23047	2.5
371.26797	1.9
381.24127	3.8
389.28342	6.9
391.29871	2.6
399.25201	20.1
407.29370	8.7
417.27744	4.3
425.30447	4.3
435.28967	10.3
453.30017	21.6
471.31015	100.0
472.31229	6.5
481.29358	7.9
499.30460	7.7
517.20221	1.3
517.32373	11.3
518.31750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14511	0.4
51.27101	0.4
53.03923	0.6
57.03424	0.6
67.05482	0.8
67.26597	0.4
69.03423	2.2
69.89900	1.0
69.90313	1.8
71.04983	33.7
81.03405	3.1
83.04960	1.2
85.02883	3.1
85.06532	5.5
95.04954	1.4
97.02851	2.4
98.12547	0.4
99.04431	0.9
109.02856	2.0
111.04420	1.6
113.05988	6.6
123.04436	0.5
127.03907	3.8
127.07541	18.3
130.06094	0.6
131.07019	12.1
137.05940	0.6
141.05463	0.5
145.04913	1.3
145.08575	100.0
146.08907	0.5
147.04356	0.6
153.01767	1.3
155.07002	1.0
159.29024	0.4
161.74521	0.4
170.22781	0.5
173.08073	3.3
190.94098	0.4
191.09114	21.9
218.08173	0.6
245.03758	0.5
255.08289	1.2
257.10202	1.3
260.49414	0.6
275.11096	0.7
299.11179	1.5
317.12302	4.0
335.13312	14.9
394.93466	0.5
516.18774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52462	1.2
51.88263	0.9
53.03933	3.3
55.01856	2.2
55.05501	11.2
57.03426	4.0
57.07059	2.2
57.74544	1.0
65.03933	2.3
67.05495	40.8
69.03363	1.3
69.07058	12.6
70.82210	3.0
71.01322	1.5
71.04979	2.3
71.45276	1.0
74.56896	1.0
79.05482	38.2
81.03413	3.5
81.07041	29.8
83.04974	6.8
83.08607	5.3
85.06551	1.3
91.05464	21.4
93.07030	42.7
93.07623	2.1
95.04963	6.1
95.08591	21.4
97.06516	7.6
97.10163	6.0
105.04524	1.1
105.07009	15.0
107.08575	24.9
107.09281	1.7
109.06507	1.8
109.10119	7.9
111.08133	1.2
111.11642	1.0
115.05525	1.1
117.06989	6.2
119.08571	11.7
121.10114	13.7
123.11675	2.4
124.69398	0.9
129.07025	2.1
131.08530	9.6
133.10097	7.9
135.11664	28.4
143.08597	4.0
145.10115	11.7
147.11626	5.0
149.13271	3.1
153.12726	2.0
155.08546	1.2
157.10150	3.9
159.11691	6.1
161.13292	2.8
163.11185	3.0
169.10120	2.6
171.11652	4.5
173.13268	5.1
175.14832	1.9
181.12225	5.1
183.11713	2.0
185.13275	3.2
187.14767	1.1
189.16458	1.2
199.14816	2.2
201.16528	1.4
223.05722	1.0
223.14975	1.2
243.21255	1.1
261.22189	3.6
317.24823	1.7
405.31723	2.2
423.32678	4.5
441.33551	2.2
497.36053	3.4
515.37311	100.0
516.37854	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01858	1.2
55.05255	0.8
55.05503	11.6
57.03430	4.1
57.07064	1.6
59.04987	0.5
65.03934	2.3
67.05493	35.3
69.03413	0.9
69.07060	10.2
69.55730	1.6
69.56160	2.4
71.01340	1.7
71.04986	2.2
74.35764	0.4
79.05481	34.4
81.03400	1.9
81.07044	28.6
83.04972	4.9
83.08617	4.1
85.06528	1.4
91.05468	20.5
93.07029	41.1
95.04960	4.7
95.08595	18.4
95.09219	0.7
97.06517	6.5
97.10161	4.6
99.08075	1.0
105.04515	0.9
105.07014	11.7
107.08579	21.9
109.06492	1.1
109.10152	8.0
110.28848	0.5
111.08079	0.8
115.05447	0.6
117.07005	7.7
119.08566	9.6
121.06475	0.7
121.10126	12.6
123.08071	0.9
123.11707	1.7
125.09624	1.4
129.07016	2.1
131.08549	7.7
133.10112	7.4
135.08081	0.9
135.11668	28.4
135.45248	0.5
137.09601	0.9
141.06891	0.6
143.08528	3.3
145.10098	10.7
147.11653	3.4
149.13220	2.9
153.12787	1.0
155.08498	1.1
157.10146	2.2
159.11674	4.7
159.33987	0.5
161.13171	2.7
163.11171	3.9
163.14777	0.9
169.10164	1.1
171.11665	2.3
173.13252	3.6
175.14827	0.9
177.12788	0.6
181.10213	0.7
181.12244	4.3
183.11646	1.2
185.13261	1.9
185.14865	0.4
187.14821	1.9
189.16206	0.4
195.11690	0.9
197.13261	1.3
199.13205	0.9
199.14896	0.9
201.16360	1.3
206.75732	0.5
209.13232	0.8
211.14848	0.6
235.14633	0.5
243.21104	0.6
261.22064	4.0
297.21976	0.7
299.23819	0.7
317.24728	0.6
405.31604	1.1
423.32617	4.3
441.33640	2.0
459.34760	0.7
497.36481	2.6
515.37262	100.0
516.37537	2.9
543.12158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01851	1.4
55.05507	12.5
57.03430	4.5
65.03923	1.9
67.05498	38.3
67.57888	1.1
67.94776	1.3
69.07063	8.6
71.04985	2.5
71.62650	1.9
79.05484	31.4
81.03405	2.2
81.07047	27.1
83.04968	4.8
83.08598	5.8
85.06541	2.6
87.82954	1.3
88.45826	1.1
91.05466	22.3
93.07030	40.1
95.04981	3.9
95.08592	18.0
97.06528	4.5
97.10157	4.5
105.07018	16.1
106.55999	1.2
107.04939	1.6
107.08582	18.0
109.06498	1.9
109.10128	7.2
111.08057	2.3
117.07010	7.8
119.08557	11.5
121.10124	13.6
123.08015	1.4
123.11701	1.8
125.09657	1.5
129.07008	4.1
131.08551	11.1
133.10115	9.1
135.11682	19.3
137.09581	1.4
143.08562	4.8
145.10080	13.6
147.11694	5.5
149.09592	1.5
149.13252	3.3
153.12679	1.7
155.08548	2.9
157.10150	4.7
159.11662	9.3
161.13258	3.2
163.11203	2.9
165.12740	1.3
171.11702	6.7
173.13243	5.9
175.14853	2.4
181.12274	3.6
183.11661	2.8
185.13278	3.3
187.14813	1.9
195.11794	1.5
197.13266	1.9
199.14879	3.2
205.15805	1.5
213.16400	1.3
225.16214	1.3
227.12619	1.3
261.22028	1.6
264.86292	1.4
266.18723	1.3
359.72458	1.3
405.31934	1.5
423.32562	7.3
441.33691	3.6
497.36053	4.1
515.37317	100.0
516.37543	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	515.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
55.01856	4.0
55.05502	23.5
57.03421	18.0
57.95761	3.3
63.95144	3.4
65.79344	3.3
67.05493	83.8
68.05823	7.6
69.03407	10.9
69.07057	20.7
71.04974	5.8
79.05474	49.6
81.03413	22.5
81.07042	100.0
82.07358	7.7
83.04955	9.5
83.08607	20.2
85.02875	13.5
85.06502	3.7
91.05466	43.4
92.05790	5.6
93.07027	67.1
94.07349	6.0
95.04929	16.9
95.08588	60.8
96.05284	4.5
97.02896	5.7
97.06509	9.4
97.10142	7.1
99.08023	4.6
105.07015	32.1
107.08574	41.1
109.06529	7.5
109.10125	25.5
111.08070	9.2
117.07004	11.4
119.08539	30.8
121.06474	5.2
121.10130	32.6
122.10497	3.7
123.08012	6.0
123.11645	17.2
129.06969	6.4
131.08553	33.4
133.10109	22.4
135.11673	18.0
137.09578	4.5
137.13156	3.5
139.67126	3.3
140.12373	3.5
143.08545	6.1
145.10094	14.6
147.11665	20.2
149.09587	3.8
149.13219	15.6
157.10092	7.9
159.08044	4.8
159.11684	17.7
161.13184	6.9
163.11232	5.8
163.14787	9.7
165.12701	4.5
169.10077	4.6
171.11676	8.5
173.13219	16.6
175.11229	4.5
175.14816	4.6
177.16451	4.0
183.11708	4.9
185.13179	5.3
187.13277	3.4
187.14835	9.4
193.12239	8.1
194.12602	5.3
211.13138	18.6
212.13580	10.5
233.15230	3.9
233.22641	4.1
243.21130	6.7
261.22116	51.1
269.17410	14.9
270.17685	16.7
273.21732	3.5
279.23151	4.6
285.16769	16.8
286.17249	15.4
335.25735	16.6
353.26773	19.8
357.24240	3.8
369.24246	7.9
387.25226	4.8
419.27704	6.9
443.27783	6.4
462.29077	6.9
479.29965	6.4
480.30310	42.7
497.30878	13.6
515.37341	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	515.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01859	6.6
55.05500	25.0
57.03423	9.2
57.07071	3.6
59.06656	2.8
61.02927	4.3
61.89153	2.8
67.05497	74.2
69.03418	16.1
69.07055	26.4
71.04981	7.8
79.05061	3.2
79.05485	51.0
81.03391	14.6
81.07047	100.0
81.51584	2.7
83.04960	9.6
83.08627	16.4
83.16221	2.8
85.02888	12.4
85.06524	4.1
87.40891	2.8
91.05471	40.4
93.07033	63.5
94.07369	4.5
95.04957	11.0
95.08601	67.6
97.02869	4.7
97.06526	7.7
97.10165	8.1
99.04479	3.6
99.08074	7.0
105.07010	40.5
107.04942	4.7
107.08575	51.7
109.02809	3.0
109.06507	10.3
109.10136	41.0
111.08066	6.4
113.09609	3.3
117.06985	20.4
119.08557	36.4
121.06469	4.6
121.10120	38.9
123.08062	7.1
123.11658	17.0
125.09631	4.8
129.06972	7.3
131.08549	31.5
133.06380	3.7
133.10112	29.6
135.08022	6.1
135.11664	25.1
137.09612	5.4
137.13242	6.5
139.11226	3.4
141.06987	5.9
142.07713	3.3
143.08537	9.8
145.06448	4.7
145.10100	27.6
147.07980	6.6
147.11635	20.8
149.09590	3.6
149.13200	17.5
151.11105	3.8
155.08530	4.3
157.10103	13.5
159.11678	24.1
161.09525	5.4
161.13242	12.4
163.14781	7.8
165.12617	3.9
169.10117	6.0
171.11661	8.3
173.13242	17.2
175.14937	4.7
177.12675	7.1
181.10103	4.7
183.11627	6.7
185.13188	6.0
187.11143	5.3
187.14792	13.5
189.12804	3.7
189.16359	5.2
193.12233	5.0
199.11131	4.2
199.14764	3.0
201.16440	4.3
209.13286	3.8
211.19409	3.1
229.45804	3.3
243.21198	18.9
261.22070	58.4
269.17548	5.9
270.17953	4.3
271.20709	2.8
301.21634	6.8
303.23132	6.1
318.01770	3.0
327.23413	5.6
335.25696	9.0
345.24036	8.3
353.26852	28.2
369.24130	10.8
377.27014	3.8
387.25186	6.2
391.41711	3.0
393.26160	3.3
405.26190	7.0
419.27777	8.4
443.27823	4.4
461.29004	11.0
479.29947	9.1
480.30234	12.6
497.30881	14.3
515.30450	3.1
515.36456	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	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35078	1.5
53.03934	3.4
55.01859	4.0
55.05503	18.9
57.03427	7.6
57.07063	3.6
61.02915	6.0
65.03941	3.4
67.05495	93.1
68.02197	1.4
69.03423	8.6
69.07062	18.8
71.04982	5.1
71.08629	1.8
71.62341	2.2
71.62711	2.1
73.02910	3.1
74.11671	1.6
75.19291	1.5
77.03905	1.9
77.40382	1.7
79.05484	49.0
81.03396	4.4
81.07047	100.0
83.04975	6.1
83.08609	11.6
85.02892	5.7
85.06532	3.9
85.07009	1.6
91.03931	3.0
91.05472	33.1
93.07034	64.0
95.04965	9.5
95.08595	76.1
97.02870	5.1
97.06501	7.7
97.10154	5.3
99.04484	2.5
99.08094	3.3
105.04538	1.8
105.07020	25.1
107.04933	3.0
107.08577	39.7
109.06508	5.9
109.10140	36.5
111.08099	2.1
117.06984	13.3
119.08558	26.6
121.06554	2.4
121.10127	38.5
123.08086	4.3
123.11681	21.8
125.09604	2.1
127.03873	2.1
129.06972	5.6
131.08572	23.6
133.06407	1.5
133.10121	20.9
135.08011	2.0
135.11691	26.9
137.09662	3.7
137.13243	6.8
139.11169	2.2
141.06984	1.8
143.08545	4.5
145.10100	21.0
147.11650	16.7
149.09648	2.4
149.13246	21.0
151.07538	1.7
151.11116	3.8
151.14793	3.7
155.08540	2.5
157.10075	4.8
159.11687	19.3
161.09583	1.7
161.13232	14.2
163.11185	4.8
163.14792	17.3
165.12727	1.9
169.10158	1.9
171.11674	4.2
173.13246	19.2
175.11191	3.3
175.14821	6.1
177.16357	5.6
179.14326	4.7
183.11728	1.9
185.13237	2.7
187.14793	10.2
189.16344	2.7
191.14227	2.5
197.13139	1.9
199.14787	3.5
201.16365	4.8
205.15985	2.1
207.13799	1.8
213.12767	1.6
215.17857	3.0
219.17329	1.9
233.22606	2.5
243.21024	25.7
261.22101	81.4
262.22379	2.0
279.23212	6.0
285.22284	2.1
289.17725	2.2
303.23074	3.1
315.23389	2.6
335.25757	30.0
353.26819	20.3
369.24020	3.4
394.90735	1.6
405.26431	3.4
419.27838	3.7
443.27649	1.7
461.29034	4.3
479.29773	3.6
497.30496	7.9
515.30328	3.7
515.36841	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	515.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
58.34001	0.7
61.02914	1.0
63.95780	0.7
67.05475	1.5
69.03440	5.1
69.07065	4.1
69.57323	1.6
69.57732	4.0
70.06573	0.8
71.04974	2.8
79.05490	1.6
81.03401	2.0
81.07021	1.8
85.02892	4.9
85.06532	0.9
86.09685	0.9
89.94884	0.7
91.05460	1.3
94.30363	0.8
95.04932	0.9
95.08588	1.6
96.08134	1.0
97.02887	4.9
97.06507	1.5
98.21503	0.9
98.67187	0.7
99.04432	1.8
105.07009	1.0
105.24979	0.8
105.61214	0.7
106.06564	1.0
109.02859	1.4
109.06474	0.9
109.10164	1.8
110.07103	1.0
119.08531	0.9
121.06503	0.9
122.05965	1.8
123.08059	0.9
124.07577	3.3
127.03899	2.6
127.07541	1.9
131.07054	1.3
132.62584	0.8
132.63565	0.8
138.05466	6.7
140.06987	0.8
145.04941	1.5
145.08594	6.0
147.04398	0.9
150.05479	7.6
150.07773	2.0
153.01819	2.2
161.08281	0.8
165.09111	0.7
166.04964	2.4
167.07098	0.9
168.06552	0.9
174.27089	0.9
175.04910	0.8
176.03436	0.9
181.04924	1.1
182.08192	2.2
186.07727	0.8
191.09164	0.9
192.02924	1.4
196.09982	0.9
197.07222	1.1
197.10774	0.9
198.07828	8.5
198.62434	0.8
210.03876	1.5
210.07930	1.1
212.09407	0.9
213.06549	1.0
213.10173	9.8
215.08009	1.2
216.10246	1.0
218.11826	0.9
221.08142	1.1
225.10179	3.5
226.07344	2.3
227.11728	5.0
228.08804	1.2
230.08365	0.9
241.06006	1.2
241.09688	4.3
242.10561	0.9
243.11327	3.5
244.08540	1.2
245.12750	1.6
246.11240	2.0
253.09692	4.5
255.11252	4.9
256.08511	0.8
257.09247	1.4
259.07001	0.9
259.10709	2.8
261.12350	3.2
268.08249	1.7
269.09219	4.6
271.10748	11.2
273.12317	4.4
279.08618	1.7
281.09088	1.2
287.10226	100.0
288.10669	1.7
289.11819	8.3
299.10226	16.3
301.11768	3.7
315.09735	0.8
317.11292	69.8
318.11417	0.9
335.12335	38.5
378.86380	0.8
389.01215	0.8
427.54108	0.9
461.15536	1.3
479.16403	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	514.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67550	8.4
55.05494	19.6
67.05489	39.5
69.07062	17.2
70.82539	25.6
71.08601	9.5
79.05476	27.9
81.07044	52.0
82.35637	7.5
91.05482	13.1
93.07030	36.1
95.04961	16.2
95.08596	57.0
98.21507	10.2
105.07007	30.3
107.08572	50.1
109.10156	27.0
119.08559	42.3
121.10127	37.6
123.11662	17.6
131.08598	16.8
133.10092	50.3
135.11676	20.1
145.10074	17.8
147.11684	35.9
159.11664	24.6
161.13232	13.7
163.11214	11.2
163.14763	17.2
173.13159	9.8
175.14859	18.8
177.16367	22.8
179.14177	11.7
187.14815	20.8
189.16374	67.8
191.17924	20.0
201.16382	18.0
203.17950	75.5
205.15874	36.5
207.17484	18.9
249.18536	15.5
285.16815	14.5
285.63641	9.3
335.03009	10.3
352.41235	9.9
363.47662	11.4
386.78159	9.0
388.21375	11.6
409.34589	84.0
437.34006	21.1
455.34772	13.5
473.31049	9.3
473.36349	100.0
479.30020	12.9
514.36737	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	515.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49657	1.1
55.01854	1.6
57.03444	1.4
61.02907	1.5
62.00391	1.2
67.05482	1.8
67.95919	1.3
69.03420	7.5
69.06760	1.2
69.07058	11.5
70.06599	1.5
71.04976	5.6
71.61269	2.1
75.05585	2.1
75.57014	1.2
79.05479	1.8
81.03400	2.3
81.07045	2.3
83.01329	1.5
85.02894	12.2
95.04950	1.7
97.02876	10.5
97.06486	2.8
108.04454	1.8
109.02874	2.0
121.06397	1.4
122.06039	2.7
123.04366	1.6
123.07983	1.5
124.07574	5.9
126.09186	1.5
127.03909	5.4
127.07553	3.1
138.05499	10.2
140.07018	2.5
142.63530	1.2
145.04909	2.9
145.08589	14.8
150.05467	15.4
150.07639	1.8
153.01807	4.0
161.08319	2.0
162.09065	1.4
166.04961	4.5
167.07063	2.8
176.03426	2.3
179.87511	1.2
182.08095	3.0
183.06769	1.8
185.07048	1.3
190.12209	1.5
191.09123	1.8
192.02844	3.7
197.10738	2.5
198.07813	9.2
199.08466	1.5
200.10803	2.5
201.06453	1.9
202.12256	1.7
210.03917	5.4
212.09413	3.0
213.10188	10.8
216.10240	2.0
218.11713	2.7
225.10127	6.2
226.07239	2.3
227.11778	10.5
228.10304	1.6
233.09146	1.4
241.09726	6.9
242.10420	1.2
243.11256	5.1
245.12891	2.9
246.11208	2.8
253.09752	7.4
255.11292	8.8
257.09207	3.8
259.07074	1.7
259.10822	2.7
261.12366	3.4
269.09351	4.6
271.10730	20.1
273.12289	10.3
283.10651	1.8
287.10220	100.0
288.10785	2.8
289.11789	13.6
299.07797	1.2
299.10242	29.4
301.11798	6.1
317.11282	98.7
335.12329	67.7
335.16360	3.0
416.15445	1.3
479.16547	7.0
515.17804	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	514.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01854	1.6
55.05508	10.3
57.03423	11.1
57.07059	1.2
65.03920	2.0
67.05495	39.2
69.03413	3.3
69.07059	15.0
69.65953	10.7
69.97013	1.1
71.04974	4.8
79.05479	25.2
81.03406	39.4
81.07044	52.9
82.07349	1.4
83.04974	11.6
83.08138	1.7
83.08605	20.3
85.02887	13.1
85.06519	3.7
91.05465	19.3
93.07030	41.6
95.04959	19.2
95.08594	16.1
97.02855	2.0
97.06534	8.2
97.10160	3.2
99.08067	2.9
105.07012	15.4
107.04932	3.1
107.08582	20.6
107.42687	1.4
109.06484	5.1
109.10135	4.4
111.04429	1.5
111.08068	11.4
115.05433	2.4
117.06968	6.3
119.08576	10.3
121.06473	2.0
121.10132	18.0
123.08035	1.9
123.11697	2.6
129.06984	8.0
131.08534	11.2
133.06392	1.4
133.10089	7.7
135.11670	5.9
137.09596	2.4
142.07765	2.1
147.08035	2.3
147.11655	11.5
149.09613	3.7
149.13248	18.6
157.10127	9.9
159.11673	9.9
171.11737	1.4
175.11159	10.9
177.12688	4.1
187.14828	1.6
193.12210	27.2
195.13785	7.1
211.13257	34.5
240.68860	1.3
267.15836	15.9
269.17441	85.6
270.17874	2.2
271.17801	1.6
285.16895	27.7
333.28351	1.2
380.28635	1.3
461.28976	28.8
479.29974	100.0
480.30225	5.6
514.35596	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	514.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05502	11.7
57.03431	9.6
57.07072	2.2
65.03944	1.4
67.05495	47.9
69.03435	0.9
69.06712	1.7
69.07059	17.8
69.49339	9.2
71.04985	4.1
71.12658	1.2
77.73166	1.0
79.05478	25.3
81.03383	1.0
81.07046	86.4
83.04981	7.6
83.08612	12.3
85.06542	5.3
89.06042	1.9
91.05463	23.0
93.07030	35.6
95.04959	5.0
95.08596	20.6
97.06512	6.7
97.10141	1.1
98.21490	1.0
99.08073	3.0
105.07014	22.1
107.08582	20.9
109.06507	5.5
109.10162	2.4
111.08067	4.5
117.07015	4.1
119.08559	17.4
121.10128	21.6
121.10994	1.3
123.08088	2.7
123.11684	19.4
127.07542	1.8
131.08566	5.4
133.10107	6.1
135.11673	5.8
137.13176	1.0
145.10028	1.6
147.11671	40.1
149.09662	1.3
149.13234	20.2
149.14354	1.6
157.10121	1.9
159.11671	7.9
165.12729	16.6
177.12727	3.6
183.13765	1.9
195.13771	8.7
213.14859	2.1
229.14276	4.8
253.03781	1.0
267.15881	45.3
269.17432	81.0
270.17752	1.6
285.16898	39.8
286.17358	1.3
479.29993	100.0
480.30298	3.2
514.35883	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01859	2.4
55.05255	1.4
55.05505	16.2
57.03429	17.0
57.07079	1.3
65.03940	1.6
67.05493	49.1
68.43334	0.9
69.03404	2.9
69.06708	1.5
69.07052	16.3
69.53535	8.3
71.04984	4.2
79.05481	31.1
81.02919	1.8
81.03405	37.3
81.07044	62.3
83.04972	13.3
83.08604	23.9
85.02895	12.6
85.06522	4.6
85.06999	1.0
87.49503	1.0
91.05468	26.6
93.07031	47.3
94.07346	1.4
95.04960	19.4
95.08042	1.4
95.08596	18.2
97.02882	2.2
97.06503	9.1
97.10168	4.1
98.21467	2.0
98.25492	1.1
99.08057	3.0
101.41153	1.0
105.07006	14.7
107.04922	4.0
107.08578	23.7
109.06503	3.7
109.10143	4.3
111.04427	1.7
111.08058	9.8
113.05981	1.5
115.05447	2.5
117.06998	5.3
119.08566	14.4
121.06528	2.6
121.10122	18.1
123.08060	2.5
123.11671	1.4
125.09631	2.4
129.06963	7.6
131.08533	12.9
133.06499	2.1
133.10103	11.0
135.08095	1.6
135.11632	6.0
137.09621	1.3
139.11192	1.7
142.07741	2.4
145.10081	1.9
147.08051	2.0
147.11679	11.6
149.09639	4.7
149.13232	26.8
157.10110	9.0
159.11679	10.1
165.12711	2.7
175.11140	9.9
177.12637	4.7
193.05956	1.0
193.12227	26.6
195.13780	10.5
200.93634	1.2
211.13252	47.5
212.13681	1.4
218.03767	1.0
267.15875	18.2
269.17444	100.0
270.17746	1.9
285.16922	38.3
435.28043	1.2
461.28934	30.3
479.29984	78.6
480.30276	2.6
514.35559	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01864	4.0
55.05497	19.2
57.03172	2.1
57.03423	18.4
57.07068	2.6
64.73195	1.2
64.81278	1.3
65.03926	3.5
67.05490	62.0
69.03407	3.5
69.07052	19.0
70.81345	4.5
71.04973	7.4
71.08629	2.1
73.14760	1.3
74.09707	1.6
79.05473	44.1
81.03401	46.9
81.07037	82.3
82.07392	2.1
83.04966	14.6
83.08607	28.7
85.02892	17.9
85.06536	5.3
91.05462	39.0
93.07023	47.3
94.07362	1.4
95.04943	22.1
95.08031	2.4
95.08594	24.1
97.02869	1.4
97.06512	9.5
97.10149	4.9
99.08070	3.9
100.72119	1.3
105.07001	25.4
107.04945	5.0
107.08577	28.0
109.06496	5.8
109.10128	8.3
110.10474	1.7
111.04447	1.7
111.08070	11.1
113.05969	2.4
117.06979	10.3
119.08555	21.3
121.06452	3.6
121.10114	18.0
123.08049	3.9
123.11653	6.7
125.09647	3.1
129.06972	7.4
131.08517	13.8
133.06477	1.4
133.10101	23.9
135.08104	1.2
135.11650	8.7
136.12047	1.3
137.09584	1.7
137.13292	1.6
142.07753	1.7
145.10078	2.9
147.08006	1.9
147.11673	12.3
149.09602	5.4
149.13225	16.7
151.11102	2.3
155.08656	1.5
157.10089	11.2
158.10526	1.5
159.11668	8.7
165.12756	2.8
175.11116	11.2
177.12784	4.1
193.10434	1.9
193.12192	36.0
195.13754	15.9
205.90578	1.3
211.13235	56.0
213.14825	2.1
267.15817	17.6
268.16141	1.5
269.17419	95.9
270.17804	2.8
285.16904	60.4
286.17142	2.7
461.28888	25.8
479.29935	100.0
480.30481	4.4
499.85840	1.5
514.36212	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33508	0.7
52.44029	0.8
67.05485	3.7
69.03410	1.2
69.06704	0.6
69.07053	13.7
71.28952	1.0
71.29269	1.0
75.42999	0.9
79.05464	1.7
81.03415	0.8
81.07032	2.7
83.04972	1.2
84.04491	0.8
84.10210	0.8
85.02901	0.9
85.06516	1.4
86.63151	0.8
91.05466	1.8
93.07032	1.7
95.04967	2.1
95.08588	10.3
96.08115	1.3
97.06534	0.9
105.06985	1.0
107.04932	1.5
107.08591	1.0
108.08104	1.5
109.02827	1.1
109.06506	3.3
120.08147	1.0
121.06509	0.9
122.06062	1.2
124.07576	2.8
127.03879	0.8
131.04910	1.3
135.04352	0.9
136.07574	1.9
137.05891	0.8
138.09126	2.2
138.30812	0.9
140.07043	25.1
144.67122	0.7
145.08618	1.0
146.05960	2.7
148.07582	1.8
152.07031	1.6
154.08617	2.7
164.10680	19.6
164.95393	0.8
165.44324	0.8
167.07150	0.9
168.06590	0.8
174.05487	1.6
174.09140	2.4
176.07104	1.0
179.03358	0.8
180.03702	0.8
192.10159	21.7
199.08656	3.0
203.08092	1.2
204.06541	1.8
206.08191	1.2
211.08630	4.3
212.09387	2.9
213.10167	3.8
215.08136	1.5
215.11790	0.9
217.09715	1.4
225.10182	5.5
226.07326	2.2
226.10902	1.5
227.08005	3.8
227.11786	2.2
228.08655	1.3
229.09831	1.9
237.10205	0.9
239.08136	1.9
239.09497	0.9
239.11690	6.9
240.08897	1.8
241.09712	6.0
241.13429	2.1
242.10533	2.6
243.11288	1.8
245.09152	1.8
246.05096	0.9
247.10886	1.1
253.09630	7.5
254.10413	3.2
255.11220	3.7
263.10254	5.9
265.09689	1.3
267.11261	10.5
268.07986	1.0
268.12115	2.4
269.09277	1.5
269.12784	2.8
271.10654	1.4
279.11282	1.3
281.09296	2.1
283.10712	4.7
285.12286	6.1
287.10358	2.6
291.09555	3.8
293.12442	0.9
295.10733	9.2
295.13840	1.2
296.11514	1.3
297.12308	5.1
298.13126	0.9
299.10297	5.9
300.11194	0.9
301.11838	4.1
309.08777	0.9
309.12350	0.9
313.11765	55.5
314.12482	4.1
315.09818	1.5
315.13370	5.9
321.12326	1.5
323.12366	22.5
324.11069	2.2
329.11234	2.2
331.12994	1.7
337.15375	1.2
339.09811	1.1
341.11273	17.8
342.12204	4.1
343.12872	2.7
345.14563	3.0
347.12280	1.3
356.13330	0.9
359.12292	0.9
361.13983	1.4
370.71072	0.8
373.13861	21.6
374.14505	1.0
375.11548	1.3
375.15616	1.5
377.13547	1.8
381.14178	1.9
408.15079	1.3
408.19760	1.1
409.17545	3.1
418.17734	1.2
419.15787	1.4
420.19070	1.9
426.20160	0.9
436.18552	5.3
437.17020	3.8
438.20233	4.8
440.18106	3.0
446.16687	0.8
454.19666	40.2
455.20041	1.3
464.18121	8.2
482.19168	63.8
483.19281	2.1
495.02957	0.8
496.14288	0.7
496.20795	16.7
514.21777	100.0
515.22119	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	514.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49179	0.3
53.03945	0.3
55.01871	0.5
55.05487	0.7
55.71332	0.3
67.05479	1.3
68.88248	0.3
69.03404	0.5
69.07061	1.6
69.46423	2.1
71.04972	1.1
73.17254	0.3
79.05487	0.6
81.03403	4.8
81.07025	0.8
83.04935	0.5
83.08624	1.6
83.09031	0.3
91.05473	1.1
93.07023	0.9
94.06538	0.4
95.04939	1.9
95.08587	1.3
97.02881	0.5
105.07006	0.9
107.04918	0.4
107.08582	0.6
108.04462	2.4
109.02811	0.3
109.06484	0.5
111.04450	0.3
111.08070	0.7
117.69022	0.2
119.08592	0.9
120.96682	0.3
121.10125	0.5
122.05991	1.0
123.04433	0.4
123.11696	0.3
124.03899	0.4
127.03862	0.5
129.06932	0.4
130.11423	0.3
131.04912	0.3
131.08591	0.5
133.10144	0.4
135.11678	0.4
137.05899	0.5
137.09575	0.3
138.05496	0.7
138.09140	0.3
140.07036	4.5
145.08580	1.2
146.05942	1.3
147.08064	0.4
147.11658	0.4
148.07545	1.0
150.05495	0.8
153.01794	0.4
157.10052	0.6
164.10654	2.5
166.05040	0.9
167.06966	0.3
168.06541	4.0
174.05510	1.3
175.11215	0.7
192.10129	2.2
193.12196	4.0
197.10750	0.4
204.06601	0.6
206.08069	1.1
211.08635	3.8
211.12143	0.7
212.09335	0.7
213.10220	0.7
214.07550	0.3
221.10654	0.9
222.09117	1.2
223.08592	0.3
223.12251	0.6
224.10936	1.8
225.10136	3.8
226.07141	0.3
226.11018	0.8
227.08093	0.5
229.09592	0.4
237.10141	0.4
239.08072	0.6
239.11731	6.9
240.08812	0.5
240.12395	0.6
241.09633	1.4
241.13321	1.1
249.10043	0.5
250.08659	1.3
251.08122	0.9
251.11691	0.5
252.08937	1.0
253.09706	4.6
254.10446	0.7
255.11256	0.3
256.12079	0.5
257.12918	0.8
262.58249	0.3
263.10303	0.6
267.08182	0.3
267.11261	9.6
267.15625	2.1
268.12018	0.4
269.12772	1.4
281.09204	0.4
284.11499	0.7
285.12247	1.3
285.16910	5.6
291.09885	0.4
295.10724	5.4
296.08990	0.6
297.12192	0.7
299.10260	0.6
309.16977	0.4
313.11771	35.7
314.12241	1.0
315.12906	0.4
323.12271	1.9
327.13315	0.3
341.11282	5.0
345.14801	0.4
355.12790	2.3
359.12253	0.5
373.13882	100.0
374.14270	3.4
389.13220	0.4
440.17822	0.5
454.19345	0.3
464.18173	0.8
482.19083	3.1
496.20688	0.8
514.21991	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3053
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.07758	1.7
53.03946	2.9
54.07074	1.6
55.01877	3.9
55.05508	13.7
57.03423	7.0
57.07074	2.5
61.02921	12.5
65.03907	2.8
67.05494	40.8
69.03414	6.8
69.07053	17.9
71.04969	5.8
71.61879	3.5
73.02904	4.0
79.05478	33.3
81.03405	9.7
81.06570	3.0
81.07046	60.5
82.03748	2.0
83.04979	5.4
83.08605	10.0
85.02901	9.9
85.06515	5.5
85.20863	1.7
90.44124	1.7
91.03957	5.2
91.05470	34.1
93.06454	3.3
93.07027	44.2
95.04940	6.5
95.08596	28.7
97.02874	7.7
97.06516	6.0
97.10184	3.1
99.04449	2.1
99.08065	3.6
105.07015	41.6
106.07346	1.7
107.08578	31.9
108.08861	1.6
109.06504	5.6
109.10155	15.0
111.04427	3.2
111.08096	4.0
113.99210	1.6
117.06986	8.2
119.08566	35.5
120.08857	2.0
121.10125	29.9
123.08045	4.6
123.11696	11.7
125.09586	2.9
127.03922	2.3
129.06989	7.7
131.08545	15.4
133.10107	27.1
135.11671	24.0
137.09599	2.2
137.13295	1.9
139.07564	2.2
139.37067	1.9
143.08519	6.7
145.10103	15.5
147.04391	7.0
147.08023	1.8
147.11668	40.3
149.09601	3.6
149.13229	14.4
151.11172	1.8
155.08563	2.5
157.10114	6.6
159.08037	1.9
159.11670	16.2
161.09557	1.6
161.13264	17.9
163.03970	2.0
163.11194	3.5
163.14833	4.8
165.12689	10.3
169.10191	2.3
171.11664	9.6
173.13161	9.5
175.11162	5.4
175.14810	9.6
177.12691	3.8
177.16318	2.2
185.13274	9.6
187.14854	4.7
189.16251	2.3
193.12125	3.9
195.13857	2.5
197.13208	2.2
199.14812	4.5
203.14198	1.9
211.13197	3.8
213.16429	2.3
214.47072	1.6
217.19562	3.4
229.14392	2.5
231.17526	2.6
231.20952	2.3
241.19476	17.4
257.19083	1.8
259.20541	43.4
265.14233	2.9
267.15872	29.4
268.16275	3.9
269.17368	2.9
276.49286	1.5
277.21591	5.1
283.15305	2.3
285.16879	31.1
313.21548	2.3
315.22906	1.9
321.22153	1.5
333.24146	6.5
349.23654	3.8
351.25250	100.0
352.25580	3.7
363.25317	2.6
375.25409	2.5
423.27209	2.6
441.26474	5.7
459.27112	4.3
477.28561	10.3
478.28802	3.8
495.29462	21.8
513.30267	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	513.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01859	4.4
55.05504	18.1
57.03425	12.2
57.07057	3.9
61.02915	17.0
65.03922	2.4
67.05496	41.8
69.03420	6.7
69.07064	17.9
71.04961	5.4
71.62504	3.1
73.02898	8.8
73.71721	2.1
79.05484	34.2
81.03407	8.5
81.07045	49.1
82.07359	2.5
83.04971	5.6
83.08598	11.4
85.02891	13.9
85.06541	3.8
87.04401	2.2
91.03943	8.5
91.05464	36.9
93.07028	50.3
95.04947	7.5
95.08588	28.2
97.02879	10.0
97.06509	7.6
97.10152	4.9
99.08072	3.6
103.03951	2.7
105.07021	43.9
107.04956	5.9
107.08577	33.9
109.02876	2.4
109.06516	5.8
109.10149	17.9
111.08094	3.5
113.09611	2.2
117.06998	12.9
119.08566	38.0
119.09365	4.0
121.06514	3.3
121.10133	27.1
123.08054	4.9
123.11661	2.7
125.09648	5.1
127.03897	4.6
128.04233	2.3
128.06073	2.1
129.05461	7.1
129.06995	8.7
130.07741	3.0
131.08551	21.4
133.10118	33.0
135.08058	4.6
135.11674	19.5
137.09584	4.7
143.08545	11.6
145.06493	2.2
145.10117	22.1
145.44057	2.0
147.08032	3.0
147.11661	28.0
147.36848	2.1
149.09589	3.4
149.13232	18.0
151.11166	2.9
155.08464	2.8
157.10100	16.2
159.11693	16.3
161.13214	19.5
163.11076	3.8
163.14772	4.6
169.10143	4.8
171.11649	12.6
173.11842	4.7
173.13289	11.1
175.11179	4.3
175.14798	9.8
177.12701	2.3
181.10226	2.7
183.11697	3.7
185.13248	13.8
187.14880	3.4
189.12700	2.7
193.12225	2.9
195.13623	2.5
197.13269	3.6
199.14832	5.7
211.14967	2.6
213.16304	3.3
215.18011	2.8
229.14334	8.5
231.13808	3.8
231.21042	5.3
241.19484	14.8
257.19037	2.9
259.20529	48.6
269.17407	7.5
269.55389	2.1
275.20026	4.6
276.20166	3.8
277.20682	3.3
301.21695	2.6
326.67447	2.2
333.24039	2.2
334.57788	2.2
349.23651	5.4
351.25220	100.0
352.25684	3.8
363.25259	4.0
367.22653	2.3
375.25143	2.2
385.23456	4.2
403.24850	3.0
423.27328	3.9
429.26111	3.2
441.26236	5.1
442.34521	2.4
459.27216	5.0
477.28323	7.4
478.28931	3.5
495.29520	10.4
513.30676	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	513.3049
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03927	2.2
55.01851	2.5
55.05510	13.2
57.03419	8.3
57.07074	2.7
57.18605	1.8
61.02927	10.1
67.05490	38.3
69.03403	4.6
69.07059	10.4
69.72712	13.2
70.16515	2.2
71.04962	3.3
73.02901	2.0
79.05477	36.2
81.03384	5.3
81.07043	66.6
83.04954	6.3
83.08595	9.0
85.02882	9.0
85.06532	4.0
91.03925	5.8
91.04943	3.4
91.05456	29.4
93.07033	38.2
95.04956	6.6
95.08588	28.2
96.16758	2.4
97.02855	5.7
97.06500	6.1
97.10155	2.5
99.04404	2.1
99.08074	4.2
104.10207	1.7
105.07013	35.9
107.04923	2.0
107.08585	28.4
109.06496	5.5
109.10119	9.6
111.08070	3.3
117.06995	9.2
119.08556	35.0
121.10112	30.1
123.08046	4.6
123.11700	16.8
125.09618	4.0
129.06947	5.7
131.08514	12.6
133.10107	21.3
135.11681	19.1
137.13193	3.9
141.09029	2.9
142.29518	2.0
143.08545	4.9
145.10088	13.4
147.11658	51.3
149.13246	11.9
152.73613	1.9
157.10077	5.3
159.11670	12.7
161.13235	15.5
163.14824	3.7
165.12737	13.9
171.11638	7.7
173.13231	6.4
175.11211	3.7
175.14780	6.4
177.12683	2.8
183.11708	3.2
185.13194	5.8
187.14806	3.1
189.12714	2.3
193.12251	2.6
199.14824	2.6
217.19356	2.8
229.14281	4.6
231.21017	3.5
241.19472	14.1
259.20532	35.4
267.15875	35.6
269.17453	2.4
277.21542	7.1
285.16907	35.8
317.24634	2.0
333.24359	10.1
349.23755	4.4
351.25235	100.0
441.26358	4.8
459.26929	6.2
477.28256	8.9
495.29538	30.0
513.28772	3.6
513.35638	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	513.3054
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
55.01862	14.2
55.05505	30.8
57.03422	23.8
57.07069	3.8
59.04983	3.4
65.03933	3.1
67.05500	100.0
69.03431	3.8
69.07060	19.2
71.04983	7.9
71.62945	2.2
73.02908	8.7
79.05482	29.7
81.03394	8.3
81.07053	58.8
83.04974	12.6
83.08624	17.2
85.02893	10.4
85.06545	4.7
87.04472	4.4
91.05474	25.7
93.07047	30.9
95.04962	7.9
95.08588	23.7
97.06513	9.0
97.10159	17.9
99.08096	3.1
105.07025	11.5
107.04948	4.5
107.08591	22.9
109.06547	2.4
109.10145	74.6
111.04471	2.3
111.08073	10.0
113.06007	2.1
116.04704	8.4
117.07035	5.6
119.08556	15.4
121.06523	1.9
121.10162	13.3
123.08037	2.7
123.11705	5.0
125.09619	22.8
129.05475	26.6
129.06985	5.1
131.08528	8.7
133.10136	12.3
135.08083	2.0
135.11720	10.8
137.09641	5.8
139.11197	2.7
143.07027	5.2
143.08586	3.3
145.10164	5.4
147.11685	7.4
149.13257	16.1
153.12732	2.4
155.08620	2.0
155.10658	5.5
157.08646	4.0
157.10085	3.7
159.11670	9.5
163.11176	4.4
171.10268	3.1
173.09575	2.1
173.11746	22.9
173.13164	3.6
177.12729	2.6
185.11734	7.3
193.12291	4.3
195.13852	11.6
199.13260	4.9
209.11610	2.9
211.13223	2.0
213.14801	2.1
227.12755	4.6
229.14328	52.4
257.17578	3.1
269.17465	24.6
297.17044	3.8
301.16440	3.9
421.31210	2.3
423.27423	31.0
459.32037	2.1
478.28625	5.0
479.30078	2.5
495.29471	4.1
513.29352	32.8
513.36133	15.5
513.50812	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26567	0.8
55.01865	1.8
57.03425	2.5
58.13509	0.8
58.99841	1.5
61.02906	2.5
63.89758	0.9
69.03423	10.0
71.04978	1.9
73.02894	2.0
81.03407	2.8
82.99854	1.9
85.01393	1.0
85.02895	18.6
87.04454	1.0
97.02871	6.8
98.20895	4.0
98.21577	2.1
98.97571	2.1
99.04432	1.7
101.00858	8.6
103.02433	6.8
105.00331	0.9
109.02818	2.1
113.00860	2.9
115.02402	2.9
117.03995	2.1
119.01126	1.7
119.01908	21.1
121.01620	1.8
121.03465	4.1
127.02407	3.2
127.03888	6.5
128.04184	1.5
129.03976	2.9
131.01888	12.9
133.03453	11.3
135.05038	1.3
137.02946	3.5
139.02356	1.3
141.03917	1.3
141.35185	0.8
143.01874	19.4
145.01656	2.0
145.03441	19.4
145.04936	5.8
147.01381	2.8
147.05020	9.4
149.02911	2.1
151.04518	1.3
153.01846	4.4
153.03969	1.6
155.01878	18.0
156.21295	0.9
157.01674	1.1
157.02081	0.9
157.03458	10.6
158.42679	0.8
159.05016	9.3
161.02943	28.7
161.06596	2.2
163.02660	1.4
163.04518	2.5
165.06062	1.1
167.01859	6.1
169.03391	4.5
170.05106	1.8
171.01337	4.2
171.05043	11.2
173.02954	24.6
174.03000	1.2
175.03009	1.4
175.04456	5.7
176.06012	1.2
177.04434	1.3
177.06055	12.9
179.01883	3.9
179.05554	1.2
180.04623	1.2
182.03534	1.0
183.01323	1.8
183.05057	6.0
183.67856	0.9
184.04640	1.9
185.02928	34.7
185.06584	3.9
186.03194	1.3
187.04521	7.9
189.00774	1.3
189.02429	11.9
189.06017	5.2
191.03941	1.3
195.05182	1.9
195.07088	9.3
196.04642	1.5
197.02937	15.1
197.06622	1.7
199.04526	2.2
201.02437	3.4
201.06044	5.8
203.03987	12.7
203.07477	2.0
205.03812	1.4
205.05537	1.5
207.03461	3.9
209.02914	1.4
209.95627	0.9
211.04535	2.8
213.02484	1.7
213.06073	3.8
215.04037	6.8
215.07730	1.5
217.05627	1.2
217.12151	0.9
219.03651	2.0
219.07123	27.1
219.09175	1.9
221.03093	1.7
221.05031	9.7
223.04472	1.0
225.06065	2.4
227.03984	7.6
231.03479	39.8
231.07066	28.9
233.08733	5.8
237.06287	2.3
239.03934	1.4
243.03494	5.6
243.07129	2.8
245.05035	76.7
245.08870	2.4
246.05203	3.0
247.04747	2.6
247.06961	1.6
249.04488	6.3
251.07722	1.0
251.57843	1.1
255.03468	3.0
255.07082	7.8
257.05154	5.4
259.06528	1.6
259.58353	1.3
260.08325	3.0
260.58615	3.5
261.04593	6.8
261.08365	7.8
261.58841	1.3
263.06058	7.6
273.05243	1.4
273.08157	9.4
273.58344	1.6
274.08218	2.9
275.06070	9.6
285.08212	1.1
291.05569	8.4
291.09003	1.9
293.07138	2.9
305.07190	8.3
305.10547	1.2
307.08960	1.7
315.05753	1.2
321.10275	100.0
322.10538	2.9
333.06650	13.8
333.10266	1.9
335.08121	3.7
337.09698	1.8
339.09607	3.2
340.10025	1.7
341.10687	2.2
341.61819	1.3
351.07605	6.7
351.11502	3.4
365.09274	12.0
393.08789	1.2
495.11780	9.2
513.12939	66.6
514.12872	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01860	6.0
55.05503	17.3
57.03428	12.0
57.07053	5.0
59.04990	2.1
64.62943	1.5
67.05500	41.8
69.07057	17.0
71.04993	3.3
71.62691	1.4
71.63136	1.8
79.05480	29.8
81.03406	8.4
81.06575	2.7
81.07049	53.2
83.01319	6.3
83.04965	10.5
83.08606	15.9
85.02916	1.9
88.07620	2.2
90.04765	1.6
91.05470	21.0
93.06136	1.8
93.07034	47.0
93.59840	1.7
95.04964	8.3
95.08606	17.0
97.06513	8.3
97.10144	2.0
99.04446	2.1
99.08092	3.1
105.07016	9.9
107.04909	4.8
107.08578	27.1
109.06506	5.4
109.10146	4.8
111.04471	2.4
111.08050	5.9
117.06990	9.3
119.08571	9.3
121.06514	3.1
121.10127	17.3
122.26900	1.5
123.08054	5.2
123.11663	2.3
125.09610	3.1
130.07826	1.7
131.08601	8.6
133.10114	7.2
135.08015	3.3
135.11687	12.9
139.11159	1.8
143.08534	1.6
145.10103	12.5
147.08018	3.1
147.11716	3.0
149.13269	17.6
153.12694	1.9
159.11696	7.6
162.46962	1.4
163.11183	16.5
171.11736	1.5
173.09549	2.4
177.12756	5.6
181.12152	2.0
191.10654	3.0
195.13805	8.6
209.11707	4.6
227.12718	3.5
242.12271	1.6
256.26245	2.8
269.17450	85.2
283.15356	60.1
283.26315	5.6
459.27075	3.6
477.28427	100.0
478.29095	4.1
512.50250	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	512.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91581	1.7
55.01855	7.8
55.05301	1.6
55.05506	19.2
57.03426	16.9
57.07047	3.5
59.04979	1.6
59.89184	1.6
64.76552	1.8
67.05167	2.4
67.05496	38.7
67.71254	1.9
69.03423	3.7
69.07066	13.4
71.01327	2.4
71.04974	6.8
79.05061	2.4
79.05487	31.5
81.03407	57.5
81.06564	3.5
81.07043	52.3
83.01321	4.6
83.04955	15.2
83.08608	22.9
85.02894	8.9
85.06531	4.0
88.07645	2.2
91.05471	31.6
92.67207	1.9
93.07029	40.6
95.04951	24.9
95.08593	18.8
97.02865	3.8
97.06521	8.4
97.10166	3.5
99.08067	2.0
103.83817	1.9
105.07008	20.3
107.04917	9.8
107.08566	20.4
109.06496	7.5
109.10153	6.1
111.04402	2.2
111.08067	9.4
115.05432	2.5
117.07007	9.3
119.08563	13.7
121.06496	4.5
121.10108	13.3
123.08029	4.9
123.11694	4.9
129.06992	8.8
131.08554	11.5
133.10120	15.5
135.08023	2.1
135.11664	12.2
137.09592	2.7
143.08487	1.9
145.10077	10.2
147.11700	10.1
149.09563	4.6
149.13264	7.0
153.12686	2.3
157.10097	8.3
158.90678	1.8
159.11649	3.2
163.11172	13.2
165.12770	3.4
175.11174	10.4
177.12772	2.7
193.12231	26.1
195.13739	7.8
209.11739	4.7
211.13229	19.0
227.12733	2.7
234.66431	1.8
256.26273	5.3
267.15878	64.3
268.16147	2.0
269.17413	46.4
283.15350	73.8
283.26297	5.3
285.16904	19.4
315.91223	1.9
367.22571	3.6
385.23636	4.6
433.25955	4.3
459.27481	19.5
477.28421	100.0
478.29089	3.4
506.93939	1.9
512.32526	15.2
512.50031	10.4
513.35089	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	512.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.2
55.05506	4.6
57.03431	3.7
58.20292	1.7
67.05476	6.4
69.03425	11.5
69.07053	6.7
69.79951	13.1
71.04974	6.9
79.05473	10.3
81.03400	20.1
81.07049	18.8
83.04980	2.9
85.02885	5.1
85.06535	9.3
86.09689	2.1
91.05460	6.7
91.69466	1.6
93.07034	24.4
95.04968	3.7
95.08583	7.0
97.02877	5.4
97.06487	9.9
98.21459	3.8
99.04436	10.9
105.07008	22.2
106.35809	1.7
107.08589	37.8
109.02855	22.3
109.06532	10.3
109.07169	1.9
111.08045	3.1
113.05978	5.2
119.08553	10.2
121.06484	12.5
121.10132	27.4
123.08041	3.4
127.03896	23.2
127.07478	3.2
135.08055	6.3
135.11665	12.2
137.05943	2.0
137.09518	2.3
139.07507	2.2
139.11169	2.7
145.10114	24.5
147.11607	4.1
149.09590	10.9
151.07533	4.9
153.12755	2.9
161.09662	1.9
163.11157	60.9
167.07098	2.8
167.10635	19.9
169.08588	33.5
173.09659	4.8
181.12209	14.5
183.13744	2.6
184.07269	2.7
185.11722	6.7
191.10651	36.0
196.69756	1.7
209.11714	42.0
227.12755	100.0
245.13882	5.7
269.13785	10.7
271.05396	1.8
271.13428	2.5
289.14304	6.2
299.12695	2.7
310.12720	2.8
317.13821	4.7
335.14850	11.4
338.12003	3.9
339.12543	4.9
353.15842	46.7
371.12598	2.5
371.17014	32.3
389.17963	5.2
451.09634	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01854	1.3
55.40670	0.3
57.03426	0.8
59.04992	0.3
67.05489	0.9
69.03429	0.5
71.04967	0.5
71.46407	0.5
75.04465	0.3
79.05477	3.5
79.10408	0.3
80.19462	0.3
81.03419	0.5
81.07055	1.0
85.02885	0.9
90.04757	0.3
91.05466	4.6
92.06229	0.3
93.07030	0.7
94.04198	0.4
95.04961	1.5
95.08586	0.3
97.02876	0.5
97.06499	0.5
103.05439	3.0
104.06230	0.3
105.07015	14.0
107.04957	1.7
107.05600	0.3
107.08557	0.4
108.05727	0.6
109.02884	0.5
109.06486	1.2
115.05430	0.6
117.06981	0.4
118.04131	3.8
119.04914	4.9
120.05719	0.8
121.06526	1.4
121.10191	0.3
122.03638	0.6
122.07252	1.0
123.04417	0.5
123.08053	1.8
124.03940	0.3
124.05192	1.1
127.03948	0.5
127.07558	0.4
131.04938	1.6
131.06943	0.5
132.05704	0.5
133.01022	0.3
133.02791	0.7
133.06468	14.7
134.07242	0.8
135.04417	1.2
135.08028	2.8
136.05096	0.3
137.05946	8.1
139.07504	0.4
145.08562	0.5
146.03592	1.0
147.04373	4.3
147.08040	0.3
148.05176	0.8
149.05952	1.9
150.06734	7.9
151.03937	0.3
151.07520	3.3
152.08290	0.9
153.01770	1.3
161.00526	0.4
161.05946	2.0
162.06783	0.8
163.07503	1.3
165.07750	0.6
165.09084	9.7
167.07021	5.9
177.05396	0.6
178.00821	0.7
178.06213	1.1
179.07011	3.5
181.03349	0.3
181.04869	0.6
183.13768	0.5
193.03168	6.4
193.08572	41.5
194.08891	0.5
197.11633	0.4
211.09615	100.0
211.97238	0.3
212.09937	1.2
282.07950	0.7
285.11157	0.7
297.11078	0.9
297.16660	0.4
298.32224	0.3
308.65942	0.3
315.12439	0.3
341.13712	2.0
348.60858	0.3
359.84549	0.3
371.12674	0.5
373.16336	0.5
419.64667	0.3
512.20215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12731	0.3
53.03922	0.4
55.01853	1.3
57.03423	0.8
65.03939	0.5
67.05479	0.6
69.03419	1.0
71.04961	0.5
71.35330	0.4
71.35666	0.4
75.04450	0.5
77.03949	0.5
79.05486	4.1
81.03410	0.8
81.07054	1.2
85.02882	0.8
85.06541	0.4
91.04945	0.5
91.05473	5.4
93.07031	1.7
95.04952	1.5
95.08601	0.6
97.02876	0.7
97.06490	0.4
100.07515	0.3
100.93508	0.3
103.05450	3.8
105.03331	0.4
105.07017	15.5
107.04939	2.2
107.08582	1.1
108.05723	1.0
109.02860	1.0
109.06524	1.6
109.10199	0.4
115.05506	0.5
117.06990	0.4
118.04157	4.5
118.04922	0.6
119.04936	6.4
119.08571	0.4
120.05716	1.0
121.06493	1.9
121.10088	0.8
122.03603	0.6
122.07279	1.5
123.04448	0.7
123.08035	1.5
123.11706	0.6
124.03854	0.4
124.05186	1.2
125.05992	0.7
127.03902	0.9
131.04907	1.6
131.08562	0.4
132.05664	0.6
133.02893	0.5
133.06473	16.8
134.07185	0.5
135.04388	2.0
135.08052	3.0
136.05168	0.4
137.04997	0.5
137.05969	8.1
137.09581	0.5
146.03598	1.3
147.04401	5.5
148.05179	0.7
149.00536	0.4
149.05978	2.1
150.06744	10.1
150.07889	0.7
151.03880	1.0
151.07518	4.1
153.01797	1.1
153.05426	0.4
153.12701	0.3
161.00578	0.4
161.05933	2.4
163.07492	1.3
163.11147	0.5
164.11487	0.6
165.07762	0.8
165.09093	11.4
167.07011	7.2
167.10667	0.5
169.08539	0.8
175.07582	0.4
177.05452	0.4
178.00797	0.8
178.06203	1.1
179.06999	4.5
179.10527	0.6
181.08620	0.4
183.13832	0.7
192.11063	0.4
193.03185	7.3
193.08578	52.1
197.11673	0.5
201.14708	0.4
205.59245	0.4
209.11726	0.4
211.09627	100.0
212.09929	0.8
212.53256	0.4
227.12846	0.8
228.13185	0.7
282.07874	0.8
315.11984	0.3
323.14926	0.6
341.13879	1.5
354.16193	0.4
373.16354	0.4
512.19983	0.6
512.38489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.8
55.01866	13.4
55.05264	2.4
55.05499	32.7
57.03430	25.5
57.07045	3.6
59.04977	2.1
61.02890	6.5
65.03905	4.9
67.05495	73.6
69.03423	33.0
69.06715	2.2
69.07054	28.0
69.35553	17.4
71.01311	2.8
71.04985	18.8
73.02869	5.4
77.15625	1.5
79.05482	64.6
80.05745	2.1
80.91321	1.9
81.03407	74.8
81.07045	100.0
82.07359	2.8
82.19635	1.6
83.01320	2.3
83.04971	26.8
83.08131	1.9
83.08601	23.4
85.02432	2.6
85.02888	33.1
85.06544	9.1
85.76922	1.5
87.04429	3.4
91.03902	4.1
91.05466	68.1
92.05809	2.0
93.07035	66.1
95.04950	30.9
95.08593	48.9
97.02885	24.8
97.06523	16.1
97.10151	10.0
99.04437	10.9
99.08029	3.3
101.02311	3.3
103.03902	3.9
103.05437	3.2
105.07015	57.0
106.07337	2.2
107.04300	1.7
107.04945	13.9
107.08585	42.6
109.02858	8.0
109.06512	14.9
109.10146	32.5
109.32790	1.6
111.04431	11.1
111.08051	16.7
113.05965	3.0
113.09642	2.1
117.07011	19.7
119.04877	2.2
119.08562	44.0
121.06464	7.9
121.09323	2.1
121.10118	33.4
122.86329	1.6
123.04393	2.3
123.08064	13.3
123.11681	13.6
125.05926	4.0
125.09578	8.4
127.03902	15.4
129.05408	6.0
129.06987	14.3
130.07773	1.9
131.04915	1.8
131.07744	1.9
131.08557	25.2
133.06422	5.3
133.10114	42.8
135.08086	8.1
135.11690	19.5
136.06148	1.4
137.05914	5.5
137.09491	7.9
137.13220	2.2
139.07457	2.1
141.06970	2.0
142.07677	2.3
143.08525	8.4
145.04848	2.6
145.06438	3.7
145.09061	2.0
145.10106	28.1
147.07974	6.5
147.10484	1.9
147.11647	31.0
149.09592	15.7
149.13203	11.0
151.07397	1.8
151.11093	5.6
153.08998	2.0
153.12660	3.8
155.08470	5.4
157.10112	12.5
159.07899	2.3
159.10663	1.7
159.11671	20.2
161.05807	2.2
161.09668	2.6
161.13136	6.6
163.07462	2.7
163.11165	17.2
165.08937	2.3
165.12671	5.7
167.06943	5.3
167.08363	2.4
169.10088	5.0
171.06602	1.7
171.11566	4.9
173.04424	12.2
173.09566	6.5
173.11826	1.8
173.13168	8.3
175.07507	2.3
175.11119	8.9
177.12645	5.9
181.09952	1.9
181.12134	6.9
183.06458	2.5
183.11592	5.3
183.13715	1.8
185.13185	3.0
187.11131	2.3
187.14685	2.6
189.11061	3.0
189.12650	3.8
189.16431	2.2
191.10602	7.4
193.12218	21.5
195.13806	8.3
197.13164	2.9
199.14775	2.6
205.12091	2.4
209.11629	8.8
211.11339	2.1
211.13254	30.5
212.09067	2.1
213.12798	2.3
213.14594	3.3
227.12697	12.0
229.14246	3.6
229.19405	2.1
235.13113	2.3
239.17754	6.6
247.20381	4.9
257.19046	7.9
261.14838	2.1
265.14395	8.5
267.15918	10.5
269.17307	5.7
275.20016	41.6
283.15350	12.4
285.16779	5.1
293.20941	4.6
301.16263	2.1
331.22336	5.3
339.17798	3.2
349.23685	47.1
367.24640	2.5
373.23508	1.8
377.23041	1.8
383.21948	3.9
391.24423	3.8
413.16907	1.8
413.21609	16.7
419.24295	3.4
439.26291	2.9
467.29620	4.7
475.26505	8.7
493.27847	21.1
494.27908	3.1
511.28534	71.6
512.28992	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	511.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.0
55.01613	2.4
55.01863	32.2
55.05503	43.2
55.71603	1.4
57.03429	22.5
57.06825	1.4
57.07066	11.0
59.04990	3.6
61.02929	1.9
65.03917	3.9
67.05495	75.0
69.03419	13.8
69.07061	20.2
69.64169	10.6
70.04179	1.6
71.01321	2.6
71.04991	9.2
73.02898	6.1
79.05481	63.5
79.84128	1.3
80.13146	1.4
81.03405	79.6
81.07045	67.4
82.03741	2.9
82.04184	8.3
82.07354	1.9
83.04972	33.2
83.08133	2.8
83.08604	36.9
85.02364	1.4
85.02889	36.2
85.06540	5.6
91.05466	68.1
93.07027	47.6
93.07619	2.7
94.04170	1.5
95.04956	48.5
95.08595	28.2
97.02888	9.6
97.06519	18.4
97.10149	17.1
98.07308	9.8
98.21436	2.6
99.04464	1.8
99.08064	4.6
101.05967	1.7
103.05434	2.0
105.07013	43.4
107.04946	16.1
107.08586	30.6
109.02863	3.0
109.06517	10.2
109.10139	24.7
109.10833	2.5
111.04421	11.2
111.08073	19.2
113.05987	3.2
115.05479	2.4
116.04701	3.5
117.05521	2.3
117.06986	8.6
119.04938	1.5
119.08562	38.9
121.06485	6.1
121.10128	18.6
123.04414	2.3
123.08038	11.5
123.11679	5.5
125.05987	2.4
125.09618	17.0
127.07526	1.5
127.11185	7.8
127.66147	1.3
128.06195	2.8
129.05452	4.5
129.06970	17.8
131.08554	22.8
133.06462	5.4
133.10109	21.5
135.08044	6.4
135.11679	9.6
136.08789	2.6
137.05972	3.2
137.09578	7.5
139.07510	3.3
139.11145	2.2
142.07758	3.1
143.08525	1.9
143.10704	1.3
145.06444	1.9
145.10097	10.8
147.08041	5.9
147.11668	25.9
148.12065	1.3
149.05911	1.4
149.09596	12.3
149.13235	2.4
151.07536	2.9
151.11209	2.6
153.09044	3.1
153.12753	3.0
155.08559	2.1
157.08769	2.7
157.10086	22.8
158.05725	7.7
159.11708	4.2
163.11172	9.7
165.06969	1.4
165.09090	2.6
165.12746	6.1
167.07007	4.2
171.06448	12.2
173.09592	1.8
173.11755	3.0
174.10353	1.4
175.11171	23.3
181.12250	2.8
183.18335	1.4
185.08063	4.3
185.11787	1.3
189.11238	3.0
190.04787	1.7
191.10651	3.7
193.12212	73.9
199.09627	6.2
199.13260	9.0
201.12926	1.5
201.14842	3.6
209.11740	10.5
210.12489	2.4
211.13255	82.8
213.11188	2.6
223.13281	2.0
226.12032	1.8
227.12726	12.7
229.14296	4.0
241.14288	3.1
242.15074	2.5
249.14891	3.5
255.12401	2.2
255.15930	9.1
257.17218	1.7
265.14139	1.5
267.15881	12.5
269.17603	3.5
283.15405	11.4
283.18631	2.6
284.15802	2.3
285.16934	15.4
298.17789	3.7
301.16318	3.6
311.18448	3.7
311.21887	3.2
325.20041	1.5
339.18024	9.6
339.21689	5.1
353.19461	2.9
367.21179	3.4
381.22525	2.0
382.27130	6.0
387.15411	1.8
395.23956	2.1
401.23453	1.5
409.25928	5.9
419.24081	1.9
421.25845	4.2
437.25082	2.6
439.26886	19.9
440.26782	1.6
465.28296	2.3
475.27081	7.6
475.33154	2.2
476.27704	3.7
493.27762	17.6
494.28510	7.5
511.28964	100.0
512.29395	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	511.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.6
53.03926	1.2
55.01870	0.6
55.05503	0.3
57.02477	0.3
57.03416	0.5
67.05479	0.3
69.03423	3.7
69.32091	1.6
69.32518	1.1
71.04962	0.7
79.01852	3.7
79.05482	0.6
81.03409	6.6
83.05000	0.3
85.02892	3.3
85.07637	0.3
89.05994	0.4
91.05474	1.3
95.04959	0.6
97.02876	5.5
99.04440	1.0
103.03876	0.3
105.07021	0.6
107.01308	1.8
107.04906	0.4
108.04429	0.3
109.02867	4.4
109.06514	0.4
112.98679	0.3
119.04941	0.3
120.04435	0.6
121.10112	0.3
123.04466	0.5
125.02316	4.0
127.02955	0.4
127.03902	6.3
131.04903	0.4
133.02834	1.1
133.06479	0.5
137.05998	1.6
143.03375	6.7
143.04480	0.4
144.03680	0.3
145.04959	1.1
147.04422	0.4
151.07420	0.3
153.01810	100.0
154.02147	0.9
161.05968	1.0
163.03984	0.4
165.05487	1.1
167.07001	1.6
169.05005	0.3
171.02864	10.6
179.07028	0.5
181.04962	0.6
181.08502	0.3
189.05428	0.3
193.08566	1.0
196.07286	0.4
197.08078	1.8
207.06519	1.1
209.01022	0.4
209.08031	0.6
213.05577	0.4
221.08109	1.2
227.07033	0.5
233.08122	0.9
237.04005	0.4
241.59418	0.3
259.09714	0.8
263.09167	0.7
287.09042	0.6
297.06006	8.0
305.10172	0.5
315.07086	5.6
323.11462	0.4
331.12891	1.1
349.13831	0.7
353.05411	0.6
371.65857	0.3
395.06561	0.5
493.18307	0.6
502.88376	0.3
511.18912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1441
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
51.02381	0.8
53.03926	1.1
57.03438	0.3
64.39751	0.2
65.89729	0.2
69.03425	3.9
69.07068	0.3
69.33311	2.7
69.88097	0.2
70.06569	0.2
71.04984	0.5
73.02907	0.3
74.78613	0.2
79.01849	4.1
79.05463	0.4
81.03407	7.6
85.02895	3.3
85.07655	0.5
91.05462	1.0
93.07014	0.3
95.04954	0.5
97.02274	0.4
97.02880	6.0
99.04443	1.2
103.05458	0.3
105.03391	0.3
105.07020	0.6
107.01327	1.7
107.04929	0.3
107.08560	0.5
109.02868	4.0
109.06499	0.7
119.04868	0.3
123.00798	0.3
123.04388	0.4
125.02337	4.5
127.03902	7.0
129.06946	0.2
132.11467	0.2
133.02847	1.2
137.05949	1.7
143.03380	7.0
145.04939	1.1
147.04408	0.5
149.06049	0.3
151.03865	0.3
153.01811	100.0
153.02789	3.8
154.02147	1.1
157.06451	0.4
161.05986	0.7
163.03961	0.4
165.05524	1.5
167.07014	2.2
171.02873	10.2
177.05429	0.7
179.07034	0.5
181.04987	0.5
181.08588	0.3
189.05447	0.4
191.06989	0.3
191.14279	0.3
193.08572	1.1
195.06587	0.3
196.07304	0.3
197.08058	2.0
198.07031	0.3
199.07744	0.3
205.08572	0.4
207.06529	0.9
209.08076	0.7
221.07928	1.3
227.07007	0.3
233.08101	0.8
235.09550	0.2
245.08055	0.5
259.09625	1.2
263.09167	1.1
287.09119	1.1
297.06015	8.3
305.10156	0.7
315.07034	5.0
331.12717	0.4
349.14032	0.3
479.16409	0.3
511.24432	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.6
57.07069	38.1
61.02914	3.0
64.44056	1.8
67.05503	14.5
69.07073	11.0
69.32885	6.4
69.33308	12.5
71.08621	36.3
75.04453	2.1
79.05478	2.2
81.03407	2.5
81.07040	21.3
83.08604	12.8
85.02897	6.3
85.10169	19.0
86.09695	3.3
93.07060	2.2
95.08592	30.0
97.02901	3.5
97.10181	8.9
98.20769	3.6
98.98431	2.1
104.10748	7.8
105.07011	2.2
107.08575	2.9
109.10146	15.9
123.11702	6.0
125.13284	2.0
137.13258	2.8
148.90759	1.8
159.11673	1.9
184.07275	6.5
239.23669	30.0
257.24820	3.2
263.44119	1.7
276.19632	1.7
313.27332	100.0
314.27521	2.3
331.28418	26.0
339.28925	6.4
348.55893	1.9
383.27618	2.7
401.28864	5.0
510.35724	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	510.3545
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05496	0.6
56.05019	1.3
57.03427	0.7
57.07069	4.0
58.06592	1.2
59.07389	0.6
60.08154	16.6
63.51020	0.3
67.05479	1.3
69.07040	0.9
69.62895	1.8
69.63325	0.6
71.04942	0.4
71.06977	0.4
71.07365	5.2
71.08626	2.8
79.05518	0.3
81.03414	0.4
81.07031	2.0
83.08588	1.0
85.02884	0.3
85.10155	1.1
86.09692	49.9
87.90781	0.3
93.07022	0.4
95.08612	2.0
97.10135	0.7
98.20774	0.7
98.98452	3.4
104.10728	100.0
105.07020	0.4
105.11059	0.3
107.08573	0.3
109.10152	1.3
119.08589	0.4
121.06445	0.3
123.11707	0.4
124.99986	25.5
135.11650	0.4
136.65045	0.3
136.66095	0.3
137.13159	0.3
143.01094	0.4
163.01506	0.6
184.07314	96.7
185.07617	0.4
189.57130	0.3
239.23740	0.6
258.10895	1.0
313.27197	2.8
327.28836	2.1
331.28406	0.5
492.34387	10.0
510.35483	39.9
511.35959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01865	1.7
55.05502	12.1
57.03441	6.7
57.07066	2.2
67.05496	45.7
69.03395	2.0
69.07063	12.4
70.23623	4.1
70.24014	3.1
71.04982	3.6
76.09287	1.2
79.05480	39.4
81.03386	4.0
81.07049	38.3
81.75704	1.4
83.04958	10.8
83.08616	8.7
84.24428	1.6
84.28551	1.2
85.06551	2.6
91.05466	27.4
93.06465	2.8
93.07031	48.7
95.04951	10.3
95.08597	22.2
96.08934	1.4
97.06506	6.4
97.10146	2.0
105.07008	18.1
107.08574	17.5
109.06514	2.5
109.10139	5.4
111.08073	3.9
117.06997	5.6
119.08566	12.4
121.06438	2.5
121.10136	7.6
123.08051	2.1
123.11688	2.8
129.06982	7.4
131.08559	4.5
133.10109	7.2
135.07962	1.5
135.11682	5.9
143.08531	3.3
145.10088	4.4
147.11685	15.3
149.09532	1.5
149.13228	12.3
152.37297	1.3
159.11658	6.0
161.09633	1.4
161.13226	3.8
168.91933	1.6
171.11668	12.9
177.12726	2.0
189.12689	3.4
195.13858	3.3
207.13797	13.2
211.99678	1.4
225.14766	2.2
269.17450	37.4
281.14609	2.4
281.17459	29.9
309.90619	1.6
338.27820	3.5
475.30478	100.0
476.30798	3.8
510.36362	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	510.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01848	1.5
55.05485	3.5
57.03431	13.2
61.02913	1.5
67.05486	4.2
69.03432	7.8
69.07053	5.3
71.04984	87.7
71.62428	1.8
73.02908	4.1
75.04468	3.8
79.05491	7.9
81.03404	4.4
81.07041	12.4
82.07356	1.3
83.04979	7.6
83.08579	2.3
85.02894	100.0
85.06526	3.8
91.05452	7.9
93.07024	7.6
95.04958	6.5
95.08599	9.2
97.02871	3.1
97.06507	4.0
98.06050	1.7
99.04437	3.9
99.08052	1.6
103.05453	12.7
105.07037	7.8
107.04940	2.5
107.08585	5.9
109.02860	3.9
109.06498	3.1
109.10128	5.0
110.10471	2.1
111.04417	13.2
113.06028	2.2
115.03905	1.8
117.06993	1.6
119.04896	1.7
119.08568	5.1
121.02822	1.9
121.06460	4.3
121.10104	4.5
122.03642	2.0
123.04405	2.6
123.08008	2.9
123.11681	4.6
124.07590	1.3
125.09631	1.5
127.03898	4.0
129.05455	31.6
129.06943	2.0
131.04910	63.4
131.08609	2.5
133.02776	2.4
133.06490	3.3
133.10114	3.8
135.04372	1.4
135.11615	2.4
136.07556	1.5
137.05957	36.2
137.09590	1.7
138.06332	3.0
138.09908	1.4
145.06593	1.7
145.08569	5.6
145.10065	2.1
147.04395	15.5
147.06500	13.7
147.08034	2.7
147.11676	4.9
149.05974	6.1
149.13153	1.8
150.06754	1.7
151.03845	2.3
151.07516	7.8
153.01810	2.9
153.05391	2.0
161.05959	11.4
161.09581	1.8
162.06816	6.6
163.07527	70.2
163.11200	1.9
163.14828	1.9
164.08026	1.6
164.09166	8.2
165.09106	8.0
166.09515	2.8
167.06998	10.7
168.07414	1.4
169.09914	1.3
173.05984	1.7
175.07547	13.5
175.11189	1.4
177.05463	2.8
177.09099	3.3
179.06989	2.3
181.12314	1.4
181.15903	4.2
185.09529	1.5
187.06024	1.7
187.07536	4.5
189.09108	2.6
191.07018	3.3
193.08553	15.7
193.12233	2.4
199.07500	3.4
199.16920	4.7
205.08437	3.2
205.12172	1.9
211.13380	1.9
217.08614	7.0
229.08609	3.3
235.09650	4.4
235.13139	2.1
241.08656	2.3
247.09723	1.5
253.14294	1.8
259.09598	3.3
271.09659	1.7
285.11221	4.9
297.11142	8.0
299.12646	2.9
303.12012	1.7
311.12823	2.9
315.12198	4.6
317.13779	12.1
323.12726	4.6
324.18903	2.0
329.13657	2.6
341.13620	6.2
353.13843	2.3
359.14828	2.9
391.15103	1.6
397.18671	1.4
427.17438	1.7
439.17319	4.4
457.18591	1.6
485.66180	1.5
510.18918	3.2
510.27933	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	510.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34424	2.3
52.62474	1.8
52.97001	1.9
53.03933	4.3
55.01861	4.5
55.05495	5.3
57.03424	11.9
57.07062	1.8
59.05003	3.6
60.04520	3.1
61.02911	2.1
67.05486	7.8
68.00229	1.9
69.03421	15.9
69.07054	5.7
71.01328	2.9
71.04984	56.5
71.62212	3.3
73.02906	5.9
78.03448	2.3
79.05471	6.6
81.03397	12.5
81.07072	12.7
83.04977	5.9
83.08631	2.2
83.32580	2.1
85.02894	66.2
85.06548	2.1
91.05474	12.6
93.07032	16.1
94.04150	2.5
95.04971	7.6
95.08595	11.2
97.02886	8.2
97.06525	3.9
99.04434	5.6
103.05460	9.5
105.07019	7.7
106.02908	7.4
107.04932	4.1
107.08598	10.6
109.02872	6.4
109.06499	4.9
109.10140	6.3
111.04415	10.2
113.05984	2.1
114.17609	2.3
117.06992	3.9
119.04908	3.1
119.08558	6.6
121.06503	6.6
121.10117	17.1
123.04411	4.0
123.08039	3.1
124.03927	19.1
125.06015	2.5
127.03905	9.4
129.05487	16.5
129.07019	4.0
131.04933	23.1
131.08542	3.4
133.04878	2.1
133.06496	4.5
133.10091	3.3
135.08047	3.3
135.11693	4.7
137.05965	69.6
137.09613	5.8
141.06984	2.4
143.08582	1.9
145.04916	5.5
145.06541	2.9
145.08601	5.2
145.10069	2.8
147.04425	6.3
147.06514	5.2
147.08113	3.1
147.11699	4.9
149.05962	8.3
149.09624	4.0
150.06660	2.2
151.07521	19.5
151.11151	8.1
153.01891	3.9
153.05461	4.3
153.12732	12.9
161.05997	13.3
161.09599	6.8
161.13327	2.7
162.06592	3.2
163.07521	100.0
163.11214	4.7
164.07935	4.4
165.09067	4.2
167.03421	5.2
167.07027	7.2
167.10716	5.0
171.08023	2.3
175.07541	10.8
177.05469	5.5
177.09079	3.1
179.07056	5.0
181.08551	4.6
181.12225	16.0
187.07524	3.1
189.05452	2.3
189.09116	22.1
191.07076	3.7
193.08603	4.3
197.11882	2.4
199.13210	4.0
201.09247	2.6
205.08565	3.9
206.04353	2.2
207.10138	13.9
211.07442	2.3
217.08653	3.9
219.10115	13.8
221.06078	2.9
241.08659	3.5
250.06958	2.3
251.12590	3.3
265.09589	4.6
268.08115	12.5
271.09604	2.8
273.11203	2.5
285.11203	4.9
286.09277	2.6
293.24466	2.3
294.09302	2.0
297.11353	7.9
299.12527	4.9
311.12637	3.8
315.12292	3.0
317.13812	30.4
323.12726	6.8
329.13696	9.8
335.12955	2.2
341.13861	8.6
353.13779	6.4
359.14886	3.0
369.14532	4.2
370.15305	5.0
371.15125	5.0
383.14868	10.3
409.16330	8.1
427.17468	6.5
445.18005	2.9
474.20941	2.6
478.19678	2.8
492.21741	2.7
510.22971	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	510.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
57.03408	2.1
58.71738	0.6
61.45343	0.5
62.58904	0.5
67.05491	1.1
69.03429	1.3
69.07044	1.1
69.33432	2.9
69.33856	3.5
71.04976	1.1
73.02904	3.4
79.05444	0.9
81.03391	1.6
81.07063	2.7
82.07299	0.6
82.71250	0.5
83.04952	0.9
85.02871	1.6
85.06497	0.7
91.05450	3.0
93.07012	2.0
95.04937	1.8
95.08588	2.2
97.02872	0.7
97.06485	1.1
103.05437	5.7
105.07001	1.8
106.02940	0.6
107.04946	1.0
107.08572	1.5
109.02911	0.6
109.06481	1.1
109.10146	1.4
113.05994	0.6
115.03886	0.6
115.05418	0.9
117.06997	2.0
119.04900	1.7
119.08574	1.2
121.06477	1.6
121.10088	1.5
122.03625	1.2
123.08044	2.0
123.11644	0.9
124.03922	1.0
127.03896	1.1
129.06963	0.8
131.04898	14.6
131.08575	0.7
131.35493	0.5
133.06514	0.9
135.08012	1.4
136.05139	0.6
137.05954	25.4
137.09596	1.4
137.13165	0.5
140.07076	0.9
143.08517	1.0
144.05650	0.6
144.67996	0.6
145.06480	0.8
149.05919	1.5
149.09569	1.0
151.07503	12.3
153.01801	1.1
155.07133	0.6
157.06396	1.3
161.05949	3.4
162.06609	1.7
163.07521	42.7
164.07787	0.9
165.09113	2.4
167.07002	2.5
167.08408	1.0
167.14302	1.2
168.07393	1.0
171.08002	1.2
174.06776	0.8
175.07529	3.4
177.09079	100.0
178.09422	2.4
181.15842	1.2
187.51451	0.6
189.09096	3.6
195.08047	1.5
195.10152	3.5
201.09196	0.9
207.10135	1.3
208.10477	0.6
221.05997	0.9
221.09813	0.7
221.11690	18.8
222.12044	0.7
223.07396	1.2
225.08888	0.5
225.14868	0.6
227.10684	2.8
251.06793	0.7
253.08629	1.2
253.12209	1.1
255.10161	2.1
272.10364	0.6
285.11121	2.3
287.12726	4.7
309.13089	1.0
311.12848	1.1
313.14304	4.0
331.15347	18.9
332.15875	1.3
343.15314	2.4
478.19302	0.8
478.48578	0.6
492.18619	1.0
510.18146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01858	2.1
55.05289	1.0
55.05509	10.2
57.03424	2.6
57.07071	32.3
60.46752	1.0
65.03930	1.9
67.05495	37.6
69.03424	1.6
69.07062	15.0
70.96324	1.4
70.96689	2.0
71.04984	2.8
71.08625	19.0
71.84151	0.9
79.05488	12.8
81.03409	2.7
81.07047	39.4
83.04977	4.9
83.08604	9.8
85.02876	1.1
85.06533	4.1
85.10181	10.2
89.06014	1.7
91.04894	1.3
91.05468	23.0
93.07036	10.2
95.04968	3.7
95.08598	20.9
97.06527	1.5
97.10184	4.4
99.04440	3.1
99.08086	1.6
99.11714	1.4
105.07015	25.1
107.08585	22.6
109.06502	4.1
109.10145	54.2
111.08067	1.4
113.05978	2.4
119.08577	2.1
121.10159	1.7
123.08105	1.8
123.11688	10.0
127.07539	2.0
131.08540	2.0
133.10118	52.2
134.10509	1.0
135.11726	1.4
137.13263	1.8
145.10132	1.1
151.11165	33.4
164.28415	1.1
169.12230	8.5
179.10695	1.6
197.11737	1.3
215.12798	5.3
239.23738	3.6
246.20789	1.1
253.14333	53.4
254.14684	1.3
509.38345	100.0
510.38745	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	509.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	20.2
57.07071	14.2
64.14847	2.4
65.21641	2.7
67.05222	2.7
67.05499	30.1
69.06714	4.5
69.07058	68.0
69.65242	11.0
69.65653	6.9
71.08599	6.4
79.05464	8.2
81.03404	3.4
81.07045	100.0
83.04979	3.2
83.08613	36.7
85.02901	15.4
85.06535	15.7
88.85249	3.5
91.05454	6.1
93.07022	16.9
95.04977	3.3
95.08595	96.3
97.02858	3.5
97.06506	2.8
97.10163	20.0
98.20774	5.7
99.08067	8.6
105.07020	4.0
107.08586	23.5
109.06506	2.9
109.09452	4.5
109.10143	58.7
111.08091	4.3
111.11711	24.2
113.09563	2.9
119.08540	3.7
121.10116	11.3
121.11023	2.6
123.11699	39.3
125.09573	5.3
125.13276	19.1
133.10110	3.9
135.11647	10.1
137.13213	28.5
139.14832	3.5
147.11641	3.0
149.13239	24.0
151.14767	14.2
155.14272	3.9
163.05977	4.3
163.14783	8.8
165.16357	9.4
167.14287	9.5
169.15878	4.7
177.16289	4.0
178.23264	2.8
186.98422	3.2
193.19443	3.6
207.21107	3.5
211.56906	2.9
219.21001	3.5
249.25818	3.4
267.15973	3.2
275.27271	17.8
293.28366	53.9
311.29401	20.3
337.01169	2.8
381.54773	3.1
406.36038	3.5
509.27316	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81783	2.3
53.03948	4.0
53.62136	2.7
55.05499	27.5
57.03426	4.2
57.07054	9.8
59.67434	2.3
60.97192	3.1
61.44801	2.5
67.05176	2.3
67.05500	32.1
69.03407	7.3
69.06712	4.9
69.07059	58.5
70.03165	11.2
71.04976	3.0
71.08616	4.2
79.05478	18.2
81.03401	21.5
81.07043	100.0
82.07391	3.5
83.04964	7.3
83.08611	43.8
85.02911	23.9
85.06519	10.6
85.10149	2.4
91.05473	21.3
93.07034	28.6
95.04977	12.9
95.08593	83.3
97.02880	5.7
97.06496	6.2
97.10155	24.6
99.00814	4.0
99.08083	9.6
105.07004	12.6
107.04947	6.0
107.08582	22.1
109.02892	5.8
109.06485	3.3
109.10141	55.4
111.08065	8.3
111.11701	21.0
119.08547	13.7
121.06493	5.1
121.10159	15.5
123.11695	32.3
125.09597	5.7
125.13267	18.0
127.03914	3.1
129.06966	2.8
131.08508	7.0
133.06496	4.5
133.10103	16.1
135.11676	10.0
137.05946	5.8
137.13229	25.8
139.14790	6.2
147.11662	7.0
149.13235	23.1
151.07547	3.1
151.11160	4.8
151.14786	12.9
153.12701	3.8
155.14323	6.7
157.10091	4.9
161.09644	8.9
163.14755	6.4
165.06953	2.3
165.16364	9.3
167.14334	17.7
169.15866	5.5
175.11145	6.1
179.17900	6.4
193.12198	21.7
193.19530	4.3
205.19539	3.8
207.10382	3.9
211.13266	28.8
219.20985	4.6
223.20563	3.0
225.11148	5.7
267.15985	4.1
275.27328	18.5
293.28363	43.3
311.29419	6.8
346.28815	2.9
347.25488	2.9
393.18484	2.6
399.93277	2.6
421.52856	2.8
491.26596	3.8
509.27460	55.0
510.28058	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	509.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78503	1.6
51.88155	1.7
52.16804	1.8
52.22977	1.6
53.03926	5.3
55.01856	6.7
55.05252	3.4
55.05502	31.7
57.03413	5.3
57.07072	15.7
59.04995	10.7
65.03915	2.9
67.05494	48.7
68.79150	1.8
69.03421	9.6
69.07056	63.5
69.55759	16.1
71.04983	6.8
71.08617	6.1
73.02892	1.8
74.05603	2.0
79.05481	30.1
79.91390	1.7
81.03410	16.0
81.07047	100.0
82.07390	2.1
83.04948	8.8
83.08610	35.7
83.77483	1.6
85.02894	16.4
85.06532	23.2
85.10183	2.4
87.04449	4.0
91.05464	27.1
93.07030	41.2
95.04960	14.7
95.08593	85.9
97.02876	7.8
97.06503	10.4
97.10147	21.7
99.04466	2.7
99.08082	16.0
100.07300	2.0
100.11234	3.6
102.96658	1.7
103.05430	2.2
105.04505	2.0
105.07019	25.6
107.04929	9.0
107.08579	37.3
109.02877	6.5
109.06521	8.9
109.10144	73.9
110.10466	2.5
110.37505	1.7
111.04427	6.1
111.08080	16.4
111.11703	15.9
113.09605	4.8
117.07009	6.5
119.04962	1.9
119.08562	22.9
121.06508	7.8
121.10126	30.6
123.04417	3.6
123.08035	7.2
123.11682	41.1
125.02215	1.9
125.05985	2.5
125.09632	15.7
125.13235	7.7
127.03902	4.2
127.11156	2.5
128.06223	1.9
129.07010	4.7
131.08566	9.6
133.06451	2.0
133.10110	20.9
135.08020	6.1
135.11679	21.7
137.05995	11.1
137.09612	5.5
137.13214	15.3
139.11139	6.1
139.30051	2.3
143.08534	3.9
143.10640	17.2
145.04959	2.4
145.10120	10.9
147.04437	2.6
147.07997	3.8
147.11665	14.2
148.12006	1.8
149.05902	3.0
149.09587	8.2
149.13234	15.9
151.03851	2.4
151.07491	2.5
151.11116	4.6
151.14790	9.3
152.07112	2.1
153.12749	3.6
155.08592	2.2
157.10109	8.9
159.11671	14.3
161.09573	4.5
161.13234	6.6
163.11134	10.3
163.14810	6.6
165.09138	9.0
165.12717	4.0
165.16412	4.6
167.07036	5.4
167.14278	5.5
169.10103	1.8
169.15895	2.3
171.11713	5.9
173.09622	3.0
173.13272	6.2
175.11148	6.7
175.14819	8.7
177.12668	2.5
177.16364	3.0
179.10583	3.0
179.14217	2.5
179.17966	4.0
181.12233	2.9
182.15442	2.5
183.11745	3.8
183.13698	2.8
185.13202	2.7
187.14795	5.6
189.09041	5.1
189.12767	3.7
191.10678	4.0
193.12218	13.8
193.19550	3.3
199.14900	2.8
201.16446	3.1
203.17938	4.7
207.10039	2.1
209.11682	5.5
211.13252	8.4
211.16896	5.7
213.16386	2.6
217.15758	2.6
217.19348	2.6
219.17459	1.9
219.21086	3.7
225.11139	3.9
227.12755	6.4
237.18500	3.3
237.22044	2.1
240.07320	2.2
241.19577	2.5
255.19484	12.7
263.27338	4.0
267.15875	6.4
271.20554	2.7
275.27222	8.2
281.28333	46.9
283.15341	3.7
293.28354	43.5
294.28922	2.2
299.60690	1.9
307.22946	2.1
311.29401	35.4
322.00876	1.8
437.33279	2.6
443.34656	3.1
455.35309	3.2
473.36581	3.2
491.26279	6.1
491.36856	5.8
509.17572	3.0
509.27185	25.7
509.38351	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	509.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
53.03934	0.7
55.01858	0.9
55.05510	2.8
57.03422	1.0
57.07043	0.6
59.05001	0.4
59.42208	0.3
65.03929	0.5
67.05498	7.7
69.03416	1.7
69.07063	3.1
70.03596	0.8
70.04003	0.9
70.84166	0.3
71.01327	0.4
71.04979	1.3
72.61066	0.3
76.95735	0.3
77.03869	0.5
79.05482	3.5
80.31971	0.3
81.03405	3.0
81.06570	0.5
81.07050	8.2
83.04981	1.9
83.08620	1.9
83.09033	0.3
85.02895	2.1
85.06528	1.5
86.09735	0.3
86.63138	0.4
87.65041	0.3
88.03975	0.4
91.05470	3.9
92.46320	0.3
93.07025	4.3
95.04971	2.4
95.08042	0.5
95.08600	6.8
97.02860	1.5
97.06491	1.0
97.10153	0.9
98.20772	0.4
99.04440	0.4
99.08084	0.8
100.11240	0.7
101.06035	0.9
103.05453	0.7
105.07022	3.9
107.04926	1.7
107.08578	3.8
109.02863	1.2
109.06517	1.5
109.10142	7.8
110.10439	0.4
111.04409	0.8
111.08064	0.9
111.11730	0.3
113.05968	0.7
113.09646	0.7
117.06987	0.9
119.04925	0.8
119.08571	4.7
121.06486	1.6
121.10133	2.3
122.03674	0.4
122.07260	1.1
123.04417	0.6
123.08041	1.4
123.11688	3.3
125.05951	1.0
125.09599	1.0
127.03883	0.9
127.11146	0.4
129.05447	0.5
129.07004	0.6
131.04898	1.1
131.08543	1.4
133.06488	0.7
133.10112	2.3
135.08049	1.1
135.11662	1.4
137.05963	4.1
137.09604	11.7
137.13246	1.4
139.11185	0.5
140.26321	0.3
141.09097	1.1
143.03392	0.6
143.10675	0.4
145.06532	0.3
145.08525	0.3
145.10083	1.0
147.08052	0.6
147.11664	1.4
149.09541	1.6
149.13228	2.2
151.03879	0.6
151.07539	2.6
151.11176	0.8
151.14708	0.3
153.01810	0.7
153.09026	0.3
157.10117	0.7
159.08011	1.1
159.11725	0.9
161.05984	1.2
161.09595	0.8
161.13228	0.8
163.03906	0.7
163.07544	0.7
163.11142	0.8
163.14796	0.5
165.09094	100.0
166.09435	2.6
167.07028	2.6
173.13202	0.6
175.07550	0.7
175.11145	0.6
175.14748	0.4
177.05487	0.4
177.09070	1.0
179.07018	0.5
179.08521	0.4
179.10651	0.6
181.04935	1.0
181.06441	0.5
181.08545	0.4
181.12196	0.6
187.09570	0.6
187.11206	0.5
187.14824	0.5
189.09003	0.6
189.12762	0.7
189.16362	0.3
191.10646	0.5
191.18002	0.5
193.08629	0.7
193.12189	1.9
193.15840	0.5
195.10043	0.4
197.13206	0.5
203.10646	0.5
203.14331	0.4
203.17900	0.4
205.08513	0.4
205.12221	1.8
207.10191	0.5
211.13332	2.3
211.16837	0.5
233.08096	0.7
275.23666	0.4
278.96820	0.3
279.06430	0.3
283.09769	0.4
283.12802	0.4
284.09958	1.0
284.13507	0.9
285.11053	0.5
288.99881	0.3
293.24844	0.5
295.09753	0.4
301.21713	1.1
311.12662	0.5
321.24280	1.6
329.13937	0.9
330.14215	2.4
334.29153	0.4
337.16394	0.4
339.25110	1.9
347.25781	1.0
473.19150	0.3
473.33096	0.6
491.17761	0.5
491.26645	0.4
509.21155	0.6
509.27686	4.3
509.34146	0.4
509.40320	0.7
510.27579	0.5
525.88812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.7
55.01864	16.8
55.05507	60.5
57.03425	17.2
57.07043	4.5
59.04981	4.3
65.03932	4.3
67.05495	75.4
69.03415	13.9
69.07059	33.3
71.04987	21.6
76.40988	3.0
79.05479	77.6
81.03409	42.8
81.07051	100.0
83.04976	22.4
83.08606	36.5
85.02874	9.3
85.06531	13.6
87.28427	3.1
91.05475	59.8
93.07032	87.6
95.04959	55.1
95.08599	49.2
97.02910	5.4
97.06502	15.6
97.10162	50.4
98.20766	7.2
99.04458	3.3
99.08124	5.5
103.05454	3.0
105.07017	45.5
107.04948	42.5
107.08580	55.6
109.06497	33.3
109.10147	34.0
111.04449	7.0
111.08073	17.4
111.11702	3.8
113.06004	4.3
117.07001	21.6
119.04902	5.3
119.08550	28.3
121.06483	37.7
121.10114	40.0
123.04401	5.9
123.08058	14.3
123.11689	14.3
125.05964	6.6
125.09622	41.0
129.06998	17.2
131.04901	4.1
131.08557	25.9
133.06487	10.1
133.10100	29.3
135.04414	3.3
135.08035	21.1
135.11670	17.5
137.05971	21.8
137.09552	3.8
141.06956	6.0
142.07793	4.4
143.08450	7.4
145.06464	15.5
145.10089	20.4
147.08046	12.7
147.11636	13.0
149.09615	20.2
149.13251	6.5
151.07518	5.0
151.14799	3.3
153.09068	5.2
153.12756	3.9
155.08537	5.1
157.10094	15.9
159.08122	6.9
159.11681	12.2
161.05968	4.3
161.09576	10.7
161.13187	5.6
163.11150	22.5
165.09081	4.6
167.07018	7.4
167.08434	3.3
167.10666	11.6
169.10233	3.5
171.08047	3.4
171.11691	7.2
173.13205	9.1
175.07629	4.1
175.11162	10.4
175.14844	4.6
177.09114	3.3
177.12775	4.9
179.10637	3.4
181.10173	4.9
181.12166	4.7
185.09531	4.7
185.13188	4.1
187.11098	3.7
187.14761	5.5
189.09486	3.5
189.11215	22.7
189.12666	4.6
191.10524	6.1
191.14253	8.6
193.12212	23.4
195.11703	6.0
197.13301	5.1
199.11385	3.5
199.13278	14.3
201.12665	4.9
203.10570	5.6
203.17921	3.2
205.12201	4.8
205.15945	4.2
207.10121	3.1
209.11653	6.7
211.13185	16.8
213.12837	3.5
215.14281	4.7
217.14265	3.7
219.13730	31.8
223.13188	7.6
223.44951	3.2
225.14803	4.1
227.12640	25.7
231.13953	3.4
233.13243	4.4
233.15294	21.6
237.12651	3.9
237.14822	6.9
249.14870	6.9
250.48242	3.0
252.63741	3.1
261.14810	3.4
265.14169	4.0
267.15878	13.4
273.14731	9.7
273.17117	9.5
275.16476	6.7
285.00159	3.2
293.17465	15.5
293.28217	4.2
300.37878	3.9
331.20447	3.6
339.23145	9.1
349.21417	16.1
357.24112	4.7
367.22620	49.1
385.23663	46.5
403.24817	19.6
441.26370	11.7
459.27390	81.1
460.27930	6.3
477.28455	74.0
491.30515	33.6
509.18417	6.9
509.27536	23.6
509.30719	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.8
55.01855	7.0
55.05497	26.7
57.03428	11.9
57.07052	3.6
57.07593	1.9
58.19160	1.9
65.03932	4.7
67.05493	65.5
69.03416	3.2
69.07048	23.3
71.04982	8.5
71.62313	2.2
71.62668	2.1
79.05479	76.3
79.05946	3.6
81.03412	10.6
81.07043	100.0
83.04969	19.5
83.08588	13.9
85.02892	4.4
85.06522	7.3
91.05461	60.6
93.07027	74.1
95.04945	25.9
95.08589	36.4
95.09157	3.0
97.02830	2.6
97.06533	14.4
97.10154	8.1
99.04423	2.5
99.08061	4.0
105.07013	56.4
105.86136	2.2
107.04949	9.1
107.08572	32.7
108.08884	1.8
109.06503	12.5
109.10160	13.4
111.04430	3.0
111.08060	4.5
113.05972	1.7
115.05415	2.4
117.06981	10.7
119.08559	43.7
121.06478	6.2
121.10116	24.7
123.08027	8.3
123.11696	17.7
125.05977	3.5
125.09630	5.4
127.07493	2.2
128.06197	2.6
129.06996	14.6
130.07748	2.4
131.08559	9.2
133.06529	2.6
133.10097	15.3
135.08096	2.8
135.11671	10.0
137.05942	2.8
137.09615	3.8
142.43565	1.7
143.08521	8.7
145.10098	15.9
147.08000	3.6
147.11659	70.2
149.09576	3.0
149.13252	5.0
151.85573	2.1
159.11646	4.7
161.09648	5.3
161.13223	10.2
163.11139	7.8
164.86792	2.1
165.12755	20.5
171.11664	21.1
175.11118	3.0
177.12653	3.4
183.13792	3.4
187.11128	1.9
189.11200	3.5
189.12740	8.8
191.10654	2.3
193.12178	3.0
195.13785	2.3
205.12259	2.4
207.13776	32.8
209.11768	4.1
223.13246	6.1
224.16441	2.0
225.14745	4.2
227.12762	4.1
229.14383	5.8
245.49414	2.1
267.15854	52.9
269.17401	3.4
281.17422	68.2
285.16934	37.8
367.22714	2.6
429.33728	3.0
459.27362	4.2
491.29971	86.4
492.30341	2.8
509.27301	9.1
509.32269	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	509.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69598	1.4
53.03925	6.4
55.01867	16.5
55.05503	49.5
57.03431	13.4
57.07055	6.3
59.04976	6.5
65.03925	2.2
67.05495	100.0
69.03429	11.7
69.07056	20.6
71.01336	2.1
71.04980	30.9
71.62713	3.6
79.05483	66.4
81.03408	29.7
81.07043	87.1
82.07353	1.8
83.01316	5.1
83.04970	23.2
83.08611	29.0
85.02892	10.8
85.06525	8.1
87.04477	2.3
91.05468	56.8
93.07031	57.6
95.04953	34.7
95.08588	36.5
97.02869	5.5
97.06506	16.1
97.10147	21.2
99.00753	1.7
99.04414	4.6
99.08062	2.4
101.06001	2.7
103.05440	3.6
105.07023	41.4
107.04943	23.0
107.08578	40.1
109.02859	3.8
109.06497	19.7
109.10139	39.0
111.04460	9.3
111.08054	9.3
113.05979	2.7
115.05424	4.9
117.07005	21.3
119.04887	2.3
119.08562	29.1
121.06478	17.6
121.10133	27.2
123.04403	3.1
123.08051	11.3
123.11694	9.2
125.05971	3.9
125.09622	26.9
127.11159	2.9
128.06242	2.2
129.06981	11.8
131.04910	3.6
131.08549	18.4
133.06456	7.1
133.10104	28.3
135.04361	2.3
135.08038	10.8
135.11674	20.1
137.05959	11.2
137.09566	4.8
137.13249	2.0
139.07533	1.9
139.11194	2.0
141.06955	3.1
143.08528	6.1
143.10704	2.3
145.06493	8.1
145.10104	21.1
147.04350	2.3
147.08012	8.3
147.11615	9.4
149.09636	8.2
149.13216	6.1
151.07544	4.0
151.11192	8.2
153.09082	4.8
153.12721	5.0
155.08455	4.3
157.10126	7.5
159.08009	4.5
159.11676	7.0
161.05910	2.7
161.09615	5.1
161.13264	3.5
163.11176	24.4
165.09004	4.7
165.12769	4.4
167.08519	2.0
167.10672	1.9
169.10080	3.3
171.08083	3.3
171.10155	1.8
171.11626	3.5
173.09569	4.8
173.11711	6.7
173.13084	4.0
174.50285	1.6
175.11211	8.3
175.14711	1.8
177.09039	2.1
177.12671	3.0
179.10715	2.0
181.12247	4.8
183.11674	2.8
183.13878	5.1
185.09682	3.2
185.13368	2.0
187.11096	2.4
187.14847	2.4
189.09195	2.8
189.11171	11.8
189.12721	3.3
189.16396	1.8
191.10681	5.9
191.14409	2.9
193.12180	12.5
195.13774	2.5
197.13229	2.6
199.11311	2.0
199.13168	3.9
201.12622	2.0
205.12157	3.0
205.15945	2.6
209.11687	14.5
211.11485	1.8
211.13197	9.4
219.13766	13.9
223.13217	3.1
227.12688	16.4
231.13852	2.0
233.15395	7.4
237.14828	1.7
241.14285	2.1
243.14082	1.8
267.15823	9.3
273.14548	2.5
283.15305	11.8
287.16266	2.0
293.17459	4.9
296.09332	1.7
299.14703	2.4
303.00299	1.8
349.21457	7.7
354.53516	1.8
367.22586	19.9
368.25204	1.9
385.23639	22.6
398.20688	1.9
403.24854	9.0
437.25443	10.9
441.26199	6.1
445.25732	3.2
459.27399	38.6
465.28339	10.6
473.25165	2.5
473.31982	2.1
477.28409	32.7
491.26224	9.3
491.30191	6.1
509.18082	11.4
509.27591	58.4
510.18344	3.0
510.27487	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	509.2739
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.00289	3.0
53.03940	5.0
55.01875	7.2
55.05259	1.4
55.05503	22.6
57.03430	6.9
57.07063	1.6
59.04982	2.5
63.62549	0.8
65.03910	1.9
67.05495	31.5
69.03427	4.7
69.07060	7.4
69.88406	5.4
71.01342	1.7
71.04984	6.4
73.02886	1.5
79.05482	29.0
81.03410	41.4
81.07050	37.8
83.04972	11.3
83.08613	20.9
85.02895	20.4
85.06513	3.3
91.05473	34.6
93.07037	27.0
95.04959	19.5
95.08598	13.4
97.02881	7.2
97.06528	5.2
97.10172	6.7
99.00805	12.3
99.04473	1.4
103.05429	1.7
105.07018	30.4
107.04383	0.9
107.04958	9.7
107.08585	13.4
107.76552	1.0
109.02872	8.1
109.06498	6.6
109.10138	11.5
111.04433	3.6
111.08064	10.4
113.05987	1.4
115.03897	3.1
115.05437	2.0
117.07014	5.4
119.08570	21.4
121.06474	7.7
121.10113	8.2
123.04416	1.6
123.08050	3.4
123.11671	3.6
125.09614	3.6
127.03885	2.8
128.06198	2.9
129.06969	7.5
131.08549	8.2
133.06485	2.5
133.10117	36.3
133.46608	1.0
135.08031	2.8
135.11676	5.3
137.05994	2.7
137.09607	2.1
139.07516	3.1
142.07762	1.2
143.08582	4.2
145.06433	1.8
145.10109	5.2
147.08026	2.8
147.11662	7.3
149.09593	4.1
149.13164	1.2
151.07477	0.9
151.11151	8.7
152.16696	0.9
157.10095	9.1
161.09604	12.7
163.07521	1.2
163.11163	6.5
165.09064	1.3
165.12772	2.2
171.08035	2.9
175.11171	9.6
179.10658	8.1
189.09077	7.3
189.10927	1.4
193.12225	34.3
197.11655	2.9
207.10100	2.3
209.11742	2.4
211.13266	52.1
219.13777	1.9
225.11198	12.2
227.12733	3.7
240.07780	0.8
243.12294	2.5
267.15891	6.3
281.13834	3.6
283.15363	3.3
285.16898	1.6
299.14917	3.0
423.33286	1.0
437.25330	2.0
463.26648	1.3
465.28741	1.1
473.25900	1.0
491.25906	5.7
509.27325	100.0
510.27811	2.7
521.48907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2738
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
50.08500	0.7
51.02388	0.8
53.00293	2.1
53.03929	3.5
55.01857	4.0
55.05504	21.3
57.03436	7.2
57.07037	1.1
59.04993	3.1
65.03926	1.8
67.05494	21.8
69.03418	4.0
69.07049	6.5
69.27490	5.1
69.27911	2.7
71.01327	1.3
71.04981	4.6
73.06504	0.6
79.05482	18.2
81.03403	37.1
81.07044	30.8
83.04967	8.7
83.08128	1.4
83.08606	20.7
85.02891	18.5
85.03416	0.8
85.06531	3.8
87.04472	0.7
91.05466	31.7
93.07030	20.0
95.04950	20.6
95.08590	12.5
97.02876	6.9
97.06515	5.8
97.10147	5.3
98.21491	1.5
99.00803	12.2
99.04434	1.9
99.08099	1.1
101.05978	0.7
103.05459	1.6
105.07014	24.9
107.04942	7.9
107.08574	10.0
109.02859	7.5
109.06504	5.1
109.10147	7.6
111.04405	3.4
111.08067	7.7
111.11644	0.8
113.05994	1.9
115.03921	1.9
115.05404	0.8
117.06987	3.9
119.04922	1.6
119.08556	16.6
121.06480	6.8
121.10119	6.9
123.04437	1.3
123.08054	2.4
123.11675	4.9
125.09640	2.2
127.03900	2.8
128.06198	2.0
129.06990	6.7
131.08527	6.6
133.06480	2.6
133.10112	29.7
135.08032	1.6
135.11673	1.9
137.05960	2.1
137.09618	3.5
137.13280	1.0
139.07527	2.0
142.07738	1.0
143.08501	3.5
145.06477	1.0
145.10121	2.0
147.07985	3.2
147.11664	8.5
149.09619	3.0
149.13264	1.3
151.11151	8.9
157.10107	7.4
161.09589	13.8
163.11205	1.5
165.09132	1.4
165.12764	2.0
171.07997	3.1
175.11159	8.4
179.10614	8.2
189.09085	8.2
189.11197	1.9
191.10580	0.7
193.12215	36.0
197.11661	3.4
207.10126	4.0
209.11569	0.8
211.13257	56.5
219.13860	2.0
225.11179	11.7
225.13054	1.1
227.12796	0.9
243.12297	2.5
249.14967	0.9
267.15955	3.7
277.42798	0.6
281.13654	4.6
285.16977	1.4
298.54691	0.7
299.14893	4.1
371.21945	0.8
445.26083	1.0
477.01462	1.0
491.26166	4.3
509.27380	100.0
510.27765	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	509.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.7
55.01865	32.8
55.05503	39.6
57.03434	12.5
57.07061	7.9
59.04971	5.1
61.02844	1.4
65.03911	3.3
65.67153	1.3
67.05495	50.1
68.02613	1.7
69.03410	7.9
69.06723	1.2
69.07059	16.7
70.21610	3.2
70.22004	2.2
71.01329	3.8
71.04978	9.1
73.02901	6.2
79.05482	58.4
81.03403	32.3
81.06583	2.5
81.07044	49.1
82.03747	1.3
82.04175	7.4
83.01333	11.0
83.04971	37.0
83.08610	21.5
84.02083	1.9
84.05746	1.8
85.02899	10.1
85.06514	6.1
91.05467	42.2
93.07030	47.7
94.04143	1.5
95.04953	28.8
95.08038	1.9
95.08588	25.6
97.02896	6.9
97.06522	18.0
97.10149	9.5
97.55273	1.2
98.07302	8.5
98.20813	2.2
99.04432	4.5
99.08084	2.6
103.05486	1.5
104.14629	1.3
105.06371	2.0
105.07018	28.6
107.04945	17.0
107.08577	33.5
109.02838	2.5
109.05856	1.6
109.06500	14.9
109.10139	18.4
111.04429	8.5
111.08058	7.0
113.05958	1.6
115.03860	2.3
115.05399	2.4
116.04672	3.4
117.05476	3.0
117.07002	13.9
119.08562	22.0
121.06512	9.5
121.09313	1.6
121.10129	19.8
123.04379	3.1
123.08040	18.7
123.11652	4.6
125.05961	3.2
125.09616	11.7
127.11165	4.3
129.05449	2.2
129.06996	6.5
131.08533	14.2
133.06410	2.4
133.10115	15.4
135.08046	6.7
135.11682	25.6
137.05946	3.4
137.09546	5.6
139.07494	2.6
139.11084	1.6
143.08525	2.9
145.06476	4.1
145.10092	24.1
147.07994	5.6
147.11674	13.4
148.61296	1.3
149.06015	2.1
149.09599	5.9
151.07419	1.7
151.11157	3.5
153.09033	3.3
153.12721	7.1
155.08473	2.3
157.10114	4.6
158.05750	6.2
159.11613	1.8
161.09529	3.2
161.13255	1.3
162.10225	1.3
163.11151	39.5
165.09076	2.2
165.12724	1.9
167.06978	1.8
167.10565	1.6
171.06516	5.7
171.11620	2.6
173.09581	5.4
173.11795	1.6
175.11116	3.0
181.12219	9.4
184.07324	1.9
185.08040	2.9
189.09108	1.7
189.11153	1.7
191.10629	7.2
193.12218	8.1
199.09558	2.6
199.13219	2.0
201.14851	7.5
207.10136	1.3
207.13828	1.2
209.11674	17.4
210.12350	4.6
211.13303	5.8
225.11116	2.6
226.11980	1.7
227.12689	14.0
250.17836	1.2
255.15831	5.3
265.14191	2.0
267.15814	5.4
268.16492	1.5
281.14044	1.3
281.17490	2.5
283.15356	13.8
284.15948	2.0
285.16895	1.6
295.15451	2.3
309.16885	1.8
309.20279	1.7
311.21835	2.6
321.16891	1.9
337.16449	13.2
351.17908	2.7
365.19409	6.9
379.20651	1.8
379.24954	2.9
380.25357	3.6
393.23166	1.4
407.24081	1.7
408.24887	4.7
437.25354	3.3
463.26407	3.0
491.25433	6.6
492.26913	5.2
509.27249	100.0
510.27780	3.9
522.73322	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.6
53.03926	5.2
55.01850	5.3
55.05503	17.8
57.03409	4.6
57.07049	5.3
59.04967	2.4
61.02893	1.6
65.03909	2.8
66.04710	1.4
67.05493	31.5
68.79342	1.4
69.03418	16.5
69.06714	2.5
69.07056	31.8
70.07367	2.9
71.04987	8.9
71.08620	1.9
71.62351	2.6
78.35516	1.4
79.05059	1.5
79.05481	20.7
81.02967	2.3
81.03401	28.6
81.07042	100.0
82.07356	4.4
83.04965	15.2
83.08611	15.7
85.02896	17.6
85.06534	10.7
91.05466	25.2
93.07030	23.1
94.07368	2.1
95.04934	6.4
95.08595	43.8
96.08919	3.0
97.02876	9.9
97.06498	11.6
97.10149	6.5
99.04454	7.9
99.08057	6.2
101.06002	7.9
105.07018	41.7
107.04907	4.3
107.08578	30.7
108.08894	2.7
109.02853	18.3
109.05865	1.3
109.06522	9.7
109.10132	22.7
110.10482	1.8
111.04427	3.6
111.08036	4.6
111.11664	5.6
113.09614	2.1
115.07530	2.4
117.06985	3.2
119.04900	1.9
119.07186	1.9
119.08556	34.7
120.71737	1.5
121.02814	2.3
121.06467	6.0
121.10123	34.6
122.10468	3.0
123.04366	2.6
123.08062	6.9
123.10800	2.5
123.11684	43.6
125.05975	1.6
125.09579	4.2
125.13223	4.1
127.03898	29.5
127.07540	5.7
129.05490	1.8
129.06975	3.5
131.04880	1.4
131.08537	3.7
133.02820	2.2
133.10109	8.4
135.04417	1.8
135.07979	3.4
135.11691	6.7
136.11974	2.0
137.05936	9.8
137.09586	8.4
137.10493	1.5
137.13239	13.0
139.07570	1.5
139.11159	3.6
141.09122	2.6
145.05002	3.1
145.10065	5.0
147.04366	2.6
147.08005	2.1
147.11661	87.7
148.11922	2.9
149.05960	2.4
149.09583	3.3
149.13231	8.1
149.17017	1.4
151.03864	9.0
151.07503	4.9
151.11195	2.7
151.14787	2.6
153.01787	3.3
155.14261	1.9
157.10110	4.0
159.08032	2.1
159.11641	2.1
161.06007	3.1
161.09593	2.9
161.13193	1.9
163.03902	2.0
163.07495	4.0
163.11151	3.4
163.14777	5.2
165.06985	1.8
165.09079	45.6
165.12720	55.0
166.13065	2.9
167.07021	18.8
167.14320	3.0
173.13208	2.2
175.07504	3.3
175.11136	6.6
177.12761	1.6
179.17911	2.1
181.08559	3.7
183.12000	1.9
183.13765	20.5
187.07445	2.0
187.11124	1.8
189.09027	2.7
189.12784	2.1
191.10568	1.7
193.04893	1.8
193.08528	2.8
193.12236	12.7
201.12610	1.5
203.10632	2.2
205.12199	4.4
207.10086	3.0
209.11620	1.6
211.13129	7.1
227.12772	1.7
229.12062	3.4
229.14305	65.3
229.41576	1.4
230.14711	2.7
273.14728	1.8
275.27103	3.5
291.15958	2.7
291.26535	1.9
293.28098	7.2
309.16989	2.5
311.28885	3.0
319.15311	5.2
337.16382	39.7
355.17432	32.9
373.18491	5.9
473.23605	4.6
509.20569	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	509.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75930	1.8
51.33979	1.8
53.03941	4.5
55.01860	4.9
55.05500	16.6
57.03429	4.9
57.07064	4.5
59.04992	1.8
60.52624	1.7
67.05492	25.0
69.03424	15.0
69.07052	19.3
71.00562	5.3
71.04979	20.5
79.05469	15.5
81.03406	25.6
81.06569	4.4
81.07045	85.1
82.07375	2.4
83.04978	21.1
83.08605	11.4
85.02903	10.8
85.06529	8.7
88.89055	1.9
91.05461	28.2
93.07027	18.7
95.04946	6.1
95.08588	26.1
96.08923	4.5
97.02885	9.7
97.06513	5.9
97.10167	2.6
99.04456	5.5
99.08086	5.0
101.06003	27.8
105.07012	39.1
107.04936	3.6
107.08574	18.2
109.02860	18.4
109.06497	7.4
109.10152	8.6
111.04426	2.6
111.08073	2.4
119.07082	9.6
119.08556	31.8
121.02857	2.3
121.10121	29.1
122.03660	2.2
122.10528	2.0
123.04423	4.6
123.08050	5.6
123.11687	36.2
124.12112	3.0
125.09625	3.9
127.03902	36.8
127.07525	6.3
129.06970	2.2
131.04950	1.9
131.08575	5.0
133.10120	5.4
135.11670	4.5
136.21342	1.9
137.05946	11.2
137.08063	27.7
137.13239	3.0
139.11163	2.0
141.09076	1.9
143.08624	2.1
143.40605	1.6
145.10046	2.1
147.07993	2.1
147.11659	99.8
148.12010	2.4
149.09717	2.4
151.07567	3.0
154.13086	2.0
154.55296	1.9
157.10101	3.7
161.06027	4.2
165.09132	2.8
165.12721	56.5
167.07008	44.5
175.11171	4.5
177.05563	2.1
183.13783	19.2
189.09158	2.8
193.12206	14.7
197.11702	2.6
207.10097	4.0
211.13203	10.6
221.32658	2.0
229.14305	100.0
252.93221	2.1
273.14960	3.4
301.14539	2.5
309.16867	3.0
319.15482	9.9
337.16418	49.9
355.17435	39.5
356.97928	2.0
373.18512	11.4
455.22910	2.3
509.20697	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
53.37428	2.2
55.05509	6.6
67.05492	9.3
69.03417	10.6
69.07059	13.4
69.78683	14.9
71.04974	6.8
72.38981	2.3
79.05479	13.0
81.03400	15.8
81.07037	29.1
83.04967	11.1
83.08606	2.5
85.02889	12.2
85.06543	3.5
87.04474	4.1
91.05471	9.6
93.07035	32.7
95.04970	9.7
95.08600	16.6
97.02880	8.7
97.06518	20.0
98.20728	3.3
99.04456	15.4
101.06039	2.5
103.05437	2.6
105.07002	23.5
106.52138	2.1
107.04951	4.3
107.08578	26.3
109.02875	23.8
109.06498	18.5
109.10143	7.2
111.08051	15.4
113.06033	3.2
117.07012	3.6
119.08561	19.9
121.06490	42.7
121.10134	8.0
123.08054	3.8
123.11700	6.9
124.22374	2.1
125.05972	13.2
127.03901	27.8
127.07546	7.0
131.08565	5.2
133.06483	2.5
133.10123	11.1
135.04407	2.4
135.08031	14.4
135.11682	4.4
137.05978	11.4
139.07532	15.1
143.07019	12.0
145.10129	5.3
147.08075	3.3
147.11665	44.0
149.13298	2.9
151.07484	7.6
151.11131	4.5
155.07083	3.0
157.08633	7.6
157.10129	14.5
159.07991	3.1
159.11722	3.7
161.05956	2.9
161.13216	7.6
163.11227	3.4
165.12733	21.5
167.06984	8.0
169.12242	9.9
171.11604	15.5
173.09666	4.1
175.07413	2.9
175.11151	29.1
176.66980	2.6
187.05936	13.2
187.11124	3.5
189.09067	4.4
189.12688	16.8
193.12210	24.1
199.11174	19.7
205.07127	3.1
207.13785	15.6
209.11667	2.4
211.13226	21.2
217.12213	67.9
229.14290	5.5
235.13248	92.6
245.10173	3.7
253.14319	100.0
271.15375	11.9
289.16556	3.8
313.16602	3.2
343.15268	3.3
361.16299	7.5
379.17313	15.3
397.18817	16.6
415.19623	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	509.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42289	1.0
53.03931	1.5
55.01860	1.7
55.05488	3.1
57.03436	1.2
65.03922	1.2
67.05489	4.1
69.03423	1.9
69.07061	3.5
70.91306	2.5
71.04979	1.7
79.05455	6.7
81.03399	2.4
81.07045	9.9
82.07370	1.2
83.04961	1.6
85.02874	2.1
85.06510	3.2
91.05466	15.4
93.07008	6.0
94.04147	1.9
95.04945	4.9
95.08585	5.3
97.06525	2.7
99.08081	1.6
103.05447	3.4
103.47867	1.0
105.07027	8.0
107.04924	5.8
107.08562	5.3
109.02889	1.5
109.06513	3.9
109.10133	5.5
111.04424	1.7
115.05439	3.1
116.06207	1.1
117.06992	3.3
117.58864	1.1
119.04916	7.7
119.08556	3.0
121.06499	4.5
121.10130	4.2
122.03625	4.5
123.08060	4.1
123.11687	3.2
125.05951	1.9
127.03860	1.5
128.06198	2.0
129.07005	5.9
131.04874	5.6
131.08556	2.7
132.05705	1.7
133.02777	1.1
133.06488	3.7
133.10097	2.9
134.03615	1.2
135.08012	4.5
135.11662	1.7
137.05951	62.2
137.09492	1.6
137.13261	1.6
143.04921	2.0
143.08424	1.1
144.05698	2.0
145.06464	3.4
145.10114	2.1
146.03571	1.9
146.07257	3.9
147.04358	3.4
147.08081	2.6
147.11653	3.6
148.05168	4.1
149.05960	3.6
149.09550	2.5
149.13239	1.6
151.03870	2.4
151.07513	28.6
153.01848	2.0
157.06526	4.8
157.07645	1.2
159.08040	2.4
159.11674	1.2
161.05954	100.0
161.09589	23.4
162.06418	1.4
163.07506	5.5
165.05525	1.3
165.06953	2.3
165.09094	5.2
165.12750	1.2
167.07031	6.0
173.13310	1.4
174.06743	3.4
175.07524	15.0
177.09045	5.5
179.06999	1.6
181.06416	1.5
181.12241	2.5
182.07272	1.3
187.07552	2.5
189.09077	54.1
191.06999	2.2
191.10632	1.1
195.08263	1.9
195.10126	16.5
195.13965	1.5
196.08736	1.2
199.07306	1.1
199.13399	1.0
201.09186	1.3
205.06421	1.4
205.08551	1.5
206.07256	1.4
207.08250	2.8
207.10123	82.2
208.10568	1.6
209.05966	1.6
213.08904	1.1
219.08159	1.9
219.10136	3.8
221.06082	2.2
221.09744	1.8
222.06877	1.1
224.08157	1.3
225.09036	2.3
229.14215	1.5
234.06712	2.3
235.07401	3.4
237.09076	2.4
238.09859	1.4
247.07549	1.4
249.09135	2.8
250.06145	1.5
251.06967	2.2
251.10846	1.6
252.07625	1.1
253.08574	3.6
255.06546	1.4
255.10135	1.3
264.07712	1.5
265.08560	6.8
267.10086	3.5
270.08850	1.8
277.08542	4.4
278.09180	1.2
279.10114	2.7
281.11655	1.9
283.09528	3.7
285.11166	7.6
291.10092	1.7
295.09583	2.3
297.11163	11.9
299.12714	3.7
305.11536	1.5
309.11160	4.2
311.12723	10.3
317.13992	1.5
323.12634	3.9
329.13770	1.5
337.14307	9.7
341.14029	1.2
349.14392	2.4
355.15277	7.9
367.15314	3.6
435.17725	1.2
449.18387	1.2
479.20755	7.9
491.19965	2.3
509.22040	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	509.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01847	1.3
55.05497	1.6
65.03924	1.2
67.05484	3.5
69.03402	2.1
69.07043	3.4
71.04974	0.8
71.54607	1.6
73.02901	0.8
73.07987	0.7
79.05482	4.4
81.03393	1.6
81.07039	8.6
82.07379	1.2
85.02881	1.7
85.06542	1.8
91.05476	11.5
93.07044	5.2
94.04160	1.3
95.04962	4.0
95.08604	5.2
96.08904	0.9
97.02881	1.6
97.06496	1.2
99.04458	1.0
99.08080	1.1
103.05442	4.2
105.07027	9.1
106.07327	0.9
107.04931	5.4
107.08578	3.9
109.02851	1.5
109.06492	3.2
109.10125	4.2
111.04377	1.0
111.08091	1.1
113.06020	0.8
115.05448	3.2
117.07006	2.9
119.04946	6.4
119.08546	2.3
121.06508	5.4
121.10094	2.6
121.60352	0.8
122.03628	4.5
123.04409	1.2
123.08041	3.1
123.11681	1.7
125.05905	1.1
125.09625	0.8
127.03913	1.3
128.06227	1.8
128.49785	0.9
129.06987	8.2
131.04929	5.9
131.08522	3.8
133.06451	2.2
133.10114	2.7
135.04413	0.9
135.08022	2.6
135.11667	1.9
137.05962	70.8
137.09578	1.1
137.13232	1.3
137.38962	0.7
143.04910	2.3
143.08514	0.8
144.05647	1.3
145.06491	3.6
145.10114	1.6
146.03638	1.4
146.07224	3.2
147.04428	1.6
147.08022	1.9
147.11641	1.5
148.05176	3.3
149.05977	3.1
149.09589	1.9
149.13194	1.0
151.03911	2.4
151.07523	28.2
153.01793	2.0
157.06505	4.3
159.04469	1.1
159.08026	1.8
160.05157	1.3
160.08810	1.0
161.05962	100.0
161.09590	24.8
161.13274	0.8
162.06461	1.2
163.04077	0.7
163.07530	8.7
165.05443	1.3
165.06842	1.1
165.09100	5.8
165.12796	1.1
167.07019	5.6
167.08369	1.2
169.10110	0.8
174.06714	5.5
175.07527	16.4
177.05399	1.1
177.09137	5.2
178.07758	1.4
179.08536	1.1
181.04976	1.2
181.06361	1.6
181.08603	1.2
181.12108	0.9
187.07513	2.5
187.11238	0.8
189.09082	54.6
191.07005	2.1
191.08546	0.9
191.10678	1.0
193.06497	1.7
193.08549	1.7
195.08112	2.3
195.10130	15.1
199.07507	0.8
201.09065	1.4
205.06538	2.2
205.08560	1.5
207.10143	69.0
209.09630	0.9
210.06747	1.1
211.07539	2.6
213.09038	1.1
219.08116	1.6
219.10091	1.6
221.05923	2.3
222.06674	1.9
223.07533	1.8
224.08234	1.9
225.09091	2.8
227.07042	1.9
233.05991	1.4
234.06757	2.2
235.07500	2.6
235.20410	0.7
236.08177	0.7
237.09087	4.8
239.10690	1.5
240.07706	1.2
247.07491	1.1
248.08318	2.0
249.09117	3.3
250.06242	1.6
251.06982	2.0
251.10692	1.3
252.07805	1.2
253.08559	5.3
255.06529	1.0
255.10216	1.1
263.06818	0.7
263.10928	0.8
264.07928	1.9
265.08560	7.3
266.09360	1.7
267.10181	3.1
269.08102	1.7
269.11847	1.1
270.08548	1.5
273.11359	0.9
277.08560	4.8
277.11938	0.9
278.09152	1.1
279.10117	2.8
279.76517	0.9
281.08163	2.5
281.11505	0.8
282.08826	1.0
283.09613	4.9
284.10300	1.3
285.11209	8.0
287.12918	1.1
293.08121	1.8
293.11533	1.2
295.09677	2.5
296.10416	0.9
297.11224	15.4
298.12030	1.5
299.12820	3.7
305.11758	1.7
308.10516	1.4
309.11172	3.8
310.12067	1.3
311.12775	13.0
313.10529	1.5
317.14215	3.9
323.12753	3.6
327.11990	1.4
329.13806	0.8
337.14264	9.6
341.13852	2.0
349.14420	2.4
355.15427	9.8
367.15363	4.4
461.19394	2.1
465.19357	1.1
479.20630	8.5
491.21198	0.8
509.21939	6.5
519.22736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.8
55.05474	2.0
57.03420	1.9
57.07058	0.9
60.74139	0.8
65.03915	1.9
65.92561	0.7
67.05483	3.2
69.03419	3.7
69.07043	3.5
70.03724	0.8
70.30950	2.7
71.04961	1.8
72.51476	0.7
73.02899	1.3
78.04715	1.1
79.05479	5.2
81.03380	2.2
81.07037	7.7
83.04936	1.3
83.08585	1.5
85.02886	5.1
85.06516	1.8
86.03223	0.9
91.05463	13.5
93.07034	5.7
94.04157	2.5
95.04953	5.2
95.08588	5.0
96.04339	0.8
96.08910	1.2
97.02872	3.5
97.06527	0.9
103.05434	3.2
105.07021	8.8
107.04940	6.9
107.08580	5.3
109.02879	1.2
109.06506	3.5
109.10133	4.4
111.04404	1.4
111.08047	1.0
111.12998	0.7
115.03917	1.1
115.05382	3.6
116.06249	0.9
117.07018	4.3
119.04940	7.5
119.08555	3.2
121.02854	0.8
121.06507	6.1
121.10129	2.9
122.03618	6.2
123.04397	1.5
123.08043	4.3
123.11687	1.7
125.09608	1.6
127.03886	1.4
128.06184	2.6
129.07005	8.1
131.04898	5.9
131.08553	5.1
133.04955	1.3
133.06487	3.2
133.10101	1.5
134.05252	0.8
135.04349	2.4
135.08032	2.7
135.11620	1.4
136.05154	1.6
137.05959	75.2
137.09576	1.7
137.13197	0.9
138.06229	1.8
139.07587	1.0
141.06989	1.1
143.04900	2.6
144.05673	1.7
145.06459	3.6
145.10127	1.2
146.03629	1.5
146.07236	4.8
146.97472	0.9
147.04381	1.8
147.08029	2.8
147.11615	1.5
148.05193	3.9
149.05957	5.7
149.09584	3.0
149.13226	0.9
151.03937	4.8
151.07520	33.1
151.11064	1.0
153.01811	1.0
153.05431	1.5
157.06461	4.9
158.07216	0.8
159.04356	0.8
159.08003	1.7
160.05141	1.3
161.05957	100.0
161.09586	23.7
162.06509	1.1
163.07487	7.6
163.11185	1.2
165.06956	2.1
165.09073	9.7
166.09412	2.8
167.07031	10.1
167.08376	1.5
171.07983	1.0
174.06737	5.0
175.07527	19.3
177.09120	4.7
178.07701	2.2
179.08559	1.9
179.10628	0.7
181.04900	1.6
181.06436	1.8
181.08560	0.9
181.12215	1.3
182.07185	1.1
187.07538	3.0
189.09081	54.5
191.06992	2.8
191.08600	1.3
193.06523	1.8
193.08507	1.0
194.07272	1.2
195.08246	1.7
195.10126	17.6
197.11703	11.6
198.12042	9.8
201.09067	1.0
205.06519	2.0
205.08441	1.6
206.07178	1.1
207.08337	2.3
207.10135	71.0
208.08733	1.0
208.10562	0.8
209.09714	0.9
210.06776	1.3
211.07626	1.5
217.06334	0.9
219.08046	2.6
219.10039	1.1
220.08675	1.0
221.05949	2.9
222.06711	2.0
223.07513	1.6
224.08307	1.8
225.09106	2.9
233.06018	1.3
234.06819	1.9
235.07542	2.9
236.08304	1.5
237.09142	4.9
238.06122	1.0
239.06996	1.3
239.10687	1.6
240.07866	1.2
241.08446	1.3
245.09537	1.0
247.07446	2.2
248.08241	1.5
249.09041	3.8
250.06200	1.3
251.06905	1.4
251.10649	2.6
252.07831	1.5
253.08554	5.6
255.06522	1.4
261.09067	1.3
262.06195	1.2
262.09570	0.8
263.06931	1.0
263.10822	1.1
264.07828	0.9
265.08527	8.5
266.08963	0.9
267.10062	4.2
268.07498	0.8
269.07974	2.0
269.11841	1.4
270.08817	1.5
273.11313	1.0
277.08545	6.5
278.09448	1.1
279.10049	4.5
281.07962	1.3
281.11765	1.0
282.08710	1.2
283.09406	4.0
284.10565	1.0
285.11179	8.1
291.10037	1.7
293.08044	1.7
293.11487	1.1
293.24646	1.1
294.08963	1.1
295.09637	1.4
296.10425	1.6
297.11166	14.0
299.12787	3.8
305.11719	1.5
308.10336	1.5
309.11273	4.0
310.11938	1.2
311.12738	14.2
313.10858	1.0
313.14316	1.4
317.13812	3.0
323.12891	4.9
325.14206	1.1
327.12231	1.8
329.13861	1.2
337.14310	11.6
341.13742	2.2
343.15479	2.3
349.14349	1.9
355.15274	12.5
357.11160	0.8
367.15509	6.6
369.14874	1.1
435.18063	1.2
447.18289	1.3
461.19443	2.4
465.18994	1.0
479.15475	0.8
479.20782	8.7
491.20395	1.8
509.21585	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	509.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.01862	3.9
55.05497	4.6
63.11024	1.6
63.33613	1.6
63.80712	1.9
67.05476	5.4
69.03410	6.8
69.07035	4.1
71.01344	2.1
71.04980	3.9
71.62759	2.5
73.02891	4.6
79.04568	1.7
79.05495	10.0
81.03381	7.4
81.07038	11.0
83.04962	5.0
85.02887	14.0
85.06532	6.3
87.04450	1.8
91.05464	20.3
93.07029	14.0
94.04156	3.5
95.04943	9.0
95.08566	5.6
97.02876	5.1
97.06503	7.3
99.04419	3.6
103.05433	5.5
105.07002	14.8
105.44061	1.8
107.04956	10.9
107.08575	10.5
109.02840	8.6
109.03480	1.7
109.06493	7.5
109.10125	6.2
109.60101	2.0
111.04414	2.5
111.08012	4.3
113.02330	2.1
113.05997	3.4
115.05453	6.1
117.06995	5.1
119.04951	9.3
119.08569	6.4
121.02834	19.1
121.06481	13.1
121.10095	5.3
122.03621	7.3
123.04408	3.5
123.08040	6.3
123.11699	3.1
125.05930	3.0
125.09594	2.2
127.03888	7.8
127.07514	2.9
129.07018	10.9
131.04900	6.8
131.08524	4.4
133.02783	2.4
133.06470	3.7
133.10109	4.5
135.04362	3.9
135.08018	5.9
135.11682	3.1
136.05161	3.3
137.05962	100.0
138.06296	2.7
139.03883	2.7
139.07422	1.7
140.04637	3.1
143.06996	2.0
143.08545	2.4
145.06458	3.8
146.03535	2.6
146.07196	2.3
147.04370	5.9
147.08040	4.3
147.11690	8.7
148.05206	2.2
149.05959	6.5
149.09622	2.6
151.03882	10.5
151.04932	2.1
151.07516	51.3
153.01784	5.5
155.06972	3.2
157.06438	4.6
159.07997	2.8
160.05142	2.8
161.05957	69.7
161.09564	17.8
161.13184	3.6
162.00716	1.9
163.07516	13.1
163.11157	7.1
165.06999	2.5
165.09058	4.9
165.12729	4.9
167.07013	9.2
167.08470	3.8
167.10719	2.1
169.01302	3.3
169.08585	2.3
171.11650	4.0
174.06702	6.3
175.07497	22.7
175.11151	4.4
177.05438	3.2
177.09050	6.7
179.07048	3.3
181.04967	10.6
181.06337	2.3
181.08484	2.3
181.12253	2.7
187.07501	4.0
189.09079	38.2
189.12726	2.3
191.07057	4.2
191.10632	5.1
193.08507	2.3
193.12120	3.4
195.08279	3.0
195.10091	19.1
199.11125	2.9
205.06561	4.0
205.08519	3.2
207.08168	3.9
207.10109	46.4
207.13637	2.5
210.06696	3.4
211.07387	2.9
211.13261	4.0
213.09042	2.4
217.12221	9.0
219.07932	2.2
219.10016	2.5
221.05864	4.3
223.07545	2.5
225.09027	3.8
227.07036	3.6
227.09009	9.2
227.12755	5.9
234.06644	2.9
235.07553	3.9
235.11337	1.7
235.13309	15.0
237.09048	6.9
239.06891	2.7
245.09673	2.6
247.07518	3.4
249.09143	6.5
251.10759	4.3
253.08447	3.7
253.14339	12.4
263.07217	2.0
263.11734	4.0
265.08517	8.8
265.13297	5.8
266.09097	2.2
267.10172	4.2
270.08865	4.2
277.08536	7.8
279.10425	4.3
280.07306	2.5
281.08038	2.9
281.11600	2.9
283.09457	6.2
285.11209	7.5
287.05490	2.8
290.04312	3.7
291.10074	3.4
293.07965	2.6
293.11435	2.1
295.09738	5.3
297.08344	2.7
297.11212	15.4
299.12738	4.6
301.03229	2.1
308.10605	2.4
309.11990	15.6
310.12564	2.9
311.12686	12.6
313.10492	2.2
315.04922	3.2
317.14014	4.1
318.03555	5.8
319.10504	3.4
323.12848	10.1
328.12970	5.7
329.13736	3.0
333.05988	68.8
334.06201	3.4
337.11127	23.4
337.14841	6.9
338.12387	7.6
339.12320	2.3
341.13922	4.7
343.15469	3.7
349.14340	5.7
353.13608	4.0
355.15472	12.9
367.15234	8.1
369.14331	7.0
370.15076	3.6
371.14978	7.6
374.11533	2.6
461.19675	3.5
463.17236	2.1
478.19458	5.8
479.20465	6.7
491.20575	2.7
509.21460	6.2
510.21814	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1298
Annotation	Myricetin 3',4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03923	1.5
55.01848	0.7
55.05518	0.8
57.03418	1.6
58.58321	0.4
61.02902	1.7
65.03917	0.6
67.05489	1.8
68.99785	0.5
69.03416	5.8
69.07037	1.3
69.13129	0.5
69.60651	1.6
69.61079	1.8
71.04991	2.2
73.02886	0.5
79.05470	1.9
81.03406	3.0
81.07047	2.7
83.04935	0.9
85.02892	11.2
85.06522	1.2
87.04459	0.7
91.03912	0.5
91.05463	3.5
93.07028	2.6
94.04174	1.0
95.04962	2.0
95.08606	1.3
97.02884	4.7
97.06528	0.5
99.04442	0.9
99.08061	0.5
103.05461	1.6
105.00073	0.5
105.07014	2.7
107.04932	1.8
107.08584	2.2
109.02839	2.1
109.06488	1.3
109.10141	1.1
111.04436	0.4
111.08038	0.5
115.05440	0.9
116.14034	0.4
117.06995	1.1
119.04934	1.5
119.08530	0.8
121.02818	1.1
121.06493	1.7
121.10126	2.0
122.03620	0.9
123.04440	0.7
123.08023	0.9
123.11695	0.7
124.03947	1.0
125.05972	0.9
125.09635	0.4
127.03867	3.1
127.07533	0.7
129.06970	1.6
131.04860	2.2
133.02838	0.6
133.06447	1.2
133.10066	0.7
135.04390	1.0
135.08025	1.1
135.11693	1.0
135.56015	0.4
137.02303	1.0
137.05960	17.8
137.09549	0.5
138.06291	0.8
139.03880	3.6
139.11201	0.8
141.05405	0.8
143.04883	0.7
145.04958	1.6
145.06462	1.1
145.08591	1.8
145.10072	1.2
146.07175	0.5
147.04384	1.8
147.08000	0.6
147.11676	0.9
148.05092	0.5
149.05984	1.0
149.09570	0.8
150.03070	0.5
151.03954	2.0
151.06413	0.7
151.07529	8.6
152.07880	0.5
153.01805	6.2
153.05458	4.9
153.06662	0.7
153.12721	0.4
154.06195	0.7
157.06462	1.1
159.08049	0.7
160.05173	0.4
161.05968	10.9
161.09598	2.2
162.06735	0.8
163.03986	0.6
163.07529	2.9
163.11201	1.1
165.01825	2.4
165.05505	0.7
165.09140	0.8
167.07056	4.7
167.08456	0.8
167.10634	1.0
169.06418	0.5
169.08632	0.6
173.05896	0.7
174.06653	0.4
175.03963	0.4
175.07474	4.2
175.11116	0.7
176.08063	0.5
177.05452	1.1
177.09103	1.0
179.06982	1.4
179.08394	0.5
181.04935	4.1
181.08571	0.6
181.12189	0.7
183.02895	0.4
183.13770	0.5
184.57907	0.4
189.09068	5.6
189.12694	0.5
191.07018	0.9
191.10622	0.8
193.08569	0.9
193.12231	0.7
194.02017	0.5
195.08514	0.5
195.10199	2.9
197.11667	0.8
201.09056	0.5
203.07008	0.8
205.06607	0.6
207.06351	1.1
207.08177	0.9
207.10130	6.6
209.11703	0.8
211.07555	0.5
213.05457	0.7
216.04308	0.6
217.12251	0.6
219.02809	0.5
219.08058	0.7
219.10049	0.7
225.08974	0.6
227.12747	1.7
229.04967	1.1
229.08585	0.5
230.05690	0.7
231.06453	0.6
233.08095	0.8
234.06786	0.5
235.13278	1.0
237.09102	0.7
241.04897	0.8
244.03609	1.8
249.09288	0.6
251.06972	0.4
253.08415	0.9
253.10773	0.9
253.14336	1.4
255.02963	0.7
255.10033	0.6
256.03757	0.5
257.04324	0.8
258.05222	5.2
259.06000	2.0
261.04007	0.5
265.08441	1.2
265.10837	2.5
267.10245	0.8
269.04471	1.5
269.07938	0.6
277.08679	1.4
279.10236	0.6
280.12939	0.4
283.09073	0.7
283.11987	3.9
285.03992	1.0
285.11130	1.3
286.04684	5.0
287.05515	8.1
291.08621	2.0
295.09644	0.7
297.11166	2.7
299.12796	0.8
301.03192	0.6
303.04993	2.1
305.11624	0.9
309.11304	1.0
311.12805	2.7
313.03265	0.8
313.10660	1.2
314.04208	0.8
315.04968	2.3
317.02908	0.7
317.14093	0.6
323.12799	1.8
327.12488	0.7
328.13040	0.9
330.14371	0.9
331.04376	5.4
332.05264	3.2
337.14291	2.2
339.12329	0.5
341.13855	0.6
347.07559	100.0
348.07898	3.2
349.14053	0.5
355.15564	1.5
367.15390	1.0
371.14774	0.6
433.16040	0.5
461.19495	0.7
479.20770	0.8
491.20413	0.8
509.21490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.1
57.03429	1.3
57.07059	2.3
58.71092	1.0
61.50970	1.0
61.72051	1.0
67.05502	9.5
68.05814	1.4
69.07070	7.3
70.04093	3.1
70.04507	1.9
71.04985	21.1
73.00747	1.2
79.05476	5.0
81.07050	16.6
83.04955	1.7
83.08607	4.6
83.69926	1.0
85.06538	1.6
91.05465	7.4
93.07040	29.2
95.04968	1.3
95.07977	1.1
95.08596	19.8
96.08973	1.0
97.06495	2.0
97.10119	1.7
98.98431	3.1
99.08051	1.3
105.07015	15.9
106.07371	1.5
107.08584	23.5
108.08910	1.3
109.06483	1.8
109.10139	21.4
110.10516	1.2
111.08063	4.8
111.70418	1.1
113.81017	1.1
117.06976	1.7
119.08566	35.5
121.10126	75.5
122.10517	1.1
123.08052	2.9
123.11670	6.5
124.99986	1.2
125.09600	3.6
127.11192	2.7
129.06903	1.2
131.08549	2.5
133.10112	23.6
135.08047	2.9
135.11685	23.5
137.05981	1.3
137.09612	3.6
137.13219	2.2
139.07568	1.2
145.10100	5.6
146.10828	1.4
146.48067	1.2
147.08192	1.1
147.11673	20.8
149.09694	1.0
149.13243	6.4
151.07570	1.2
151.11154	5.1
153.09123	4.9
157.10130	2.8
159.11670	2.9
161.09612	1.2
161.13219	6.2
163.11176	1.9
163.14812	3.5
165.09074	2.4
165.12711	1.5
171.11671	2.8
173.13257	3.6
175.14848	1.2
177.16367	1.3
184.07327	6.9
187.14809	7.5
189.16356	67.5
190.16745	1.8
195.13622	1.4
203.17975	10.8
207.17413	98.5
208.18025	1.4
213.16365	5.9
221.18985	3.2
223.17058	1.1
225.18465	100.0
226.18764	1.9
231.17400	19.2
233.15318	2.9
249.18492	14.7
251.16335	2.2
301.21133	1.1
336.26157	5.7
455.35278	8.6
473.36255	50.3
474.36627	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.9
57.03421	0.4
57.07068	0.5
58.06593	0.4
60.07882	0.4
60.08157	5.8
67.05509	1.5
69.03422	0.3
69.07045	1.1
69.65911	0.5
69.66321	1.3
71.04981	0.6
71.07363	2.4
79.05457	1.3
81.07047	2.0
82.07384	0.3
83.08599	0.5
86.09696	26.6
91.05441	0.8
93.07024	1.6
94.07363	0.5
95.04960	0.2
95.08596	1.9
96.08904	0.4
97.06532	0.4
97.10139	0.3
98.98456	2.4
104.10729	2.8
105.07028	1.2
107.08591	1.4
109.06510	0.2
109.10146	1.0
111.08044	0.4
117.06891	0.3
119.08572	1.1
121.10133	1.1
123.11667	0.4
124.99991	18.6
125.09558	0.4
127.11143	0.3
130.16376	0.2
131.08557	0.5
133.10104	1.0
134.10445	0.3
135.11627	0.7
143.08569	0.3
145.10057	0.8
147.11696	0.6
148.61896	0.3
149.13216	0.4
155.00862	0.3
157.10097	0.4
159.11711	0.2
161.13232	0.6
163.11195	0.3
173.13205	0.4
175.14803	0.4
184.07320	100.0
185.07704	0.5
185.13248	0.4
189.16423	0.4
201.16257	0.3
217.15907	0.3
217.19507	0.2
273.22195	0.2
336.26022	1.2
357.45111	0.3
455.35190	0.3
473.36136	0.3
490.33011	1.3
508.34042	4.5
509.35172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.048
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61308	1.3
86.95197	0.8
94.11452	0.9
116.98593	1.4
119.01890	2.4
127.61424	1.1
129.44569	0.8
137.02998	0.9
161.99181	1.0
177.00943	4.9
187.20804	0.8
213.87943	0.8
217.04108	1.0
219.01970	10.4
220.97029	1.0
222.97852	1.0
225.00835	1.0
234.99936	5.3
236.00081	1.5
236.99852	1.2
240.98886	1.9
243.02028	3.8
253.01019	2.3
258.99966	23.4
260.00201	4.2
261.00229	2.4
261.03024	49.5
262.03189	1.7
263.02985	1.2
264.98987	3.2
277.01007	28.6
278.01108	5.6
279.00812	5.1
282.99948	52.1
283.97180	1.4
283.99979	6.4
284.04648	2.2
284.99927	3.2
301.01016	100.0
302.01117	15.9
303.00845	7.0
316.99002	1.8
319.02081	6.3
324.02612	3.0
340.01819	1.1
342.02414	2.2
343.01859	1.0
359.00003	3.8
360.00076	1.8
361.00336	1.5
367.01828	1.1
379.47333	1.3
383.00113	1.6
385.03223	7.5
401.01212	13.3
402.01276	9.3
403.04727	9.5
404.00925	1.1
407.00021	5.5
425.01086	27.7
426.01059	4.2
443.02179	90.8
444.02438	13.4
445.01974	2.5
445.50537	1.1
465.02286	1.0
466.03479	14.5
467.02591	4.7
474.99551	1.3
484.03558	4.5
485.03024	2.7
485.28299	1.6
495.49316	1.1
508.04349	3.8
509.03455	6.5
516.50140	1.4
517.51099	1.7
526.01477	7.0
527.01520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01859	0.9
55.05502	11.3
57.03436	3.3
57.07067	31.7
58.67267	0.4
59.88511	0.4
65.03923	0.9
67.05495	39.8
67.51436	0.5
67.99007	0.4
69.07057	15.6
71.04979	1.8
71.08623	19.9
72.26449	0.4
74.79695	0.5
79.05478	17.4
81.03408	1.1
81.07044	44.5
83.04535	0.4
83.04964	2.7
83.08607	14.1
85.06528	2.4
85.10168	10.6
85.60389	0.4
91.05466	8.9
93.07030	24.4
95.04948	3.3
95.08591	26.5
97.06503	5.5
97.10155	4.2
99.08074	2.3
105.04527	0.7
105.07014	3.6
107.07856	0.7
107.08581	14.9
109.06480	1.3
109.10136	10.1
111.08060	3.6
111.11697	1.0
113.13280	0.6
117.06992	3.4
119.08591	0.9
121.10126	9.2
122.92534	0.4
123.11688	4.2
125.13232	0.7
127.07511	0.6
131.08533	3.9
133.10114	3.7
135.08047	0.5
135.11670	4.0
137.13248	1.8
139.11160	1.1
139.14816	0.5
149.09688	0.5
149.13237	19.6
151.11128	0.6
151.14769	0.8
159.11674	6.7
177.12752	4.4
195.13785	8.2
195.15471	0.7
213.14867	1.3
221.22566	1.1
229.47618	0.5
239.23633	7.3
260.98068	0.4
261.22214	0.6
287.30215	0.4
342.26627	0.7
399.73621	0.4
490.86215	0.5
507.40375	100.0
508.40826	3.3
533.83136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01871	0.8
55.05503	11.7
55.23769	0.5
57.03414	1.2
57.07066	29.7
57.60900	0.6
58.07406	0.8
62.04781	0.6
65.03925	1.7
67.05492	36.8
69.06716	1.1
69.07058	12.6
71.04976	2.3
71.08225	1.3
71.08619	19.9
71.12973	1.6
79.05478	16.3
81.03411	2.4
81.07043	46.7
83.04978	2.0
83.08609	16.0
85.06503	1.5
85.10161	9.3
91.05463	11.1
93.07027	22.4
95.04977	3.4
95.08593	22.4
97.06506	3.0
97.10154	4.9
99.08086	0.9
105.07010	4.3
107.08579	13.9
109.06491	1.2
109.10137	10.4
111.08057	2.9
111.11678	0.7
115.02180	0.7
117.07021	3.1
119.08565	1.5
121.06538	1.3
121.10122	5.9
123.11697	5.6
131.08542	3.8
133.10112	7.2
135.08014	0.8
135.11659	6.1
137.13223	1.8
145.44696	0.6
147.11641	0.8
149.13223	10.5
151.11154	0.9
159.11673	4.8
177.12776	2.2
195.13765	10.2
197.37164	0.7
213.14841	1.9
221.22597	1.0
239.23595	5.8
244.02274	0.7
489.36383	0.8
507.23886	2.1
507.40405	100.0
508.40646	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	507.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.9
55.05260	1.5
55.05500	16.0
57.03417	2.5
57.07063	43.3
58.99879	1.3
65.03912	2.3
65.96030	1.2
67.05492	54.4
69.07057	17.7
71.04980	2.1
71.07465	3.2
71.08620	28.6
76.48532	1.2
78.78327	1.2
79.05476	22.0
79.35439	1.3
81.03394	2.3
81.07039	55.5
83.04964	3.3
83.08598	20.6
85.06539	4.6
85.10163	12.7
91.05458	12.3
93.07027	27.5
95.04951	4.1
95.08591	39.0
97.06517	5.3
97.10162	6.8
97.32499	1.3
105.07024	5.5
107.08577	17.0
107.13185	1.2
109.06581	1.6
109.10143	14.5
111.08054	2.7
111.11696	2.6
117.07001	5.0
121.10137	7.8
123.11709	6.9
127.26293	1.2
131.08560	5.0
133.03455	4.8
133.10098	4.2
135.11667	5.1
137.13274	3.2
145.25777	1.2
147.11667	2.4
149.13219	18.0
156.05202	1.4
159.11626	8.2
177.12755	3.6
195.13751	9.0
207.07147	2.8
223.15395	2.7
239.23631	6.9
261.22302	1.7
273.50339	1.5
333.24973	6.1
335.25632	1.8
342.26828	8.5
342.76910	2.6
357.35486	1.4
361.91507	1.4
369.27640	1.6
371.26367	9.1
507.40378	100.0
508.40677	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3675
Annotation	Lycernuic acid D
Peak:m/z	Relative Intensity
55.05500	15.5
57.03432	4.3
57.07063	9.1
65.03900	4.3
67.05497	30.5
69.07058	23.9
69.55459	26.7
71.04983	30.7
79.05485	28.8
81.07047	56.4
83.04970	5.7
83.08593	11.0
91.05457	24.1
93.07034	52.4
95.04964	6.1
95.08025	7.5
95.08591	73.5
97.10184	5.9
98.21489	5.0
99.08083	7.8
103.16825	4.5
105.07023	30.4
107.08572	74.3
108.08891	4.0
109.06506	5.6
109.10134	61.5
111.08060	9.2
117.06966	5.3
119.08568	44.3
121.06496	9.8
121.09320	4.9
121.10137	82.2
123.08029	5.7
123.11690	46.3
125.09626	4.0
127.11177	73.3
131.08537	9.2
133.10118	68.5
135.08002	7.1
135.11664	86.9
137.13216	20.1
141.55183	4.1
143.08575	6.0
145.10115	31.5
147.11632	26.9
149.09628	7.2
149.13235	69.7
151.11050	5.7
157.10135	8.3
159.10481	3.6
159.11662	26.8
161.09534	5.9
161.13190	24.9
163.11162	6.3
163.14787	8.8
169.10179	4.8
171.11670	16.2
173.13269	21.6
175.11165	8.4
175.14815	17.5
177.16359	10.2
179.14276	4.1
185.13182	10.4
187.14821	11.4
189.12695	6.4
189.16359	11.2
199.14850	7.7
203.17888	10.0
205.12277	7.9
207.13858	4.7
211.14676	4.6
213.16382	6.6
215.17902	4.3
219.17365	5.0
221.19002	5.8
227.12695	5.5
231.17415	5.5
239.18063	3.9
247.16840	8.2
249.18288	4.6
275.20050	6.2
277.21716	4.3
281.17447	9.6
285.22031	6.7
289.21719	6.5
315.23264	4.8
383.33063	13.6
397.34366	7.2
407.32883	18.4
425.28775	7.6
425.34106	100.0
443.35172	85.1
446.77670	4.1
453.33698	19.2
461.35596	5.3
471.34418	31.6
489.28973	7.1
489.35693	27.9
507.36511	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	507.3678
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
50.34752	1.9
53.03921	3.1
55.01842	2.3
55.05488	8.3
57.03431	2.4
57.07047	5.3
65.89113	2.1
67.05225	1.9
67.05499	22.9
69.07053	15.4
69.65762	4.0
69.66089	16.7
71.04975	11.7
79.05473	15.4
81.03391	4.5
81.07052	27.4
83.04932	4.2
83.08576	6.8
85.06586	2.7
91.05459	15.1
93.06464	2.8
93.07030	30.8
95.04946	6.9
95.08600	26.8
97.06510	6.1
97.10178	4.7
98.21471	3.8
99.08097	4.9
103.13411	2.0
105.07013	22.5
105.38821	2.1
107.04936	5.1
107.08579	38.3
107.68404	2.4
109.06484	3.9
109.10135	32.5
111.08035	3.1
117.06986	5.7
119.08560	38.6
121.06499	5.3
121.10117	28.8
123.08032	5.3
123.11692	13.8
125.09586	3.9
127.07408	2.5
127.11179	15.3
129.06960	2.4
131.08533	9.8
133.10109	33.3
135.08022	14.1
135.11681	33.9
137.09569	4.2
137.13205	4.0
143.08565	4.4
145.10095	19.9
147.08011	2.3
147.11679	22.0
147.83463	1.8
149.09561	7.0
149.13254	25.1
151.11182	3.3
153.12724	2.0
155.08493	2.9
157.10063	6.2
159.07927	2.4
159.11671	33.0
161.09593	5.3
161.13223	20.3
163.11185	5.2
163.14771	2.9
167.10574	3.4
169.10085	3.1
170.10890	2.1
171.11629	8.3
173.13235	28.2
175.11148	4.3
175.14816	18.9
177.12714	3.9
181.12111	3.7
183.11650	3.7
185.13261	6.0
187.14827	16.0
189.12715	6.1
189.16331	15.0
191.14276	7.7
191.17915	3.2
193.12181	3.3
195.11742	2.4
195.13754	4.0
197.13181	3.3
199.14815	5.2
201.16389	10.2
203.17975	14.9
205.15813	6.3
207.13815	3.6
207.17290	2.3
217.15797	3.0
217.19386	5.0
219.17360	4.1
219.65544	2.3
221.18910	7.6
221.46381	2.1
225.16266	2.6
227.17978	4.0
233.15297	4.7
235.20432	4.8
245.18958	3.1
247.16833	2.8
249.18434	4.2
263.20016	6.6
285.22089	3.3
311.19965	2.4
407.33127	4.6
415.28152	7.4
425.34042	7.3
435.32623	10.7
443.35495	10.4
453.33646	62.3
454.33847	2.8
471.34686	100.0
472.34613	5.4
489.35809	5.5
507.28632	3.1
507.34811	4.4
511.55121	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.01852	1.0
55.05507	6.1
56.65749	0.8
57.07058	2.1
59.04994	0.9
67.05496	9.7
69.07059	5.0
70.00365	4.7
70.07904	0.8
71.39459	0.7
79.05482	6.0
80.21745	0.8
81.03405	1.6
81.07040	12.0
83.04969	1.6
83.08611	2.6
85.06516	1.9
86.27948	1.0
91.05460	7.2
93.07034	9.2
95.04958	1.5
95.08595	18.9
97.06506	3.0
98.20811	1.1
99.04430	1.3
101.05994	5.7
105.07011	13.1
107.08582	43.9
108.08891	0.9
109.06494	2.1
109.10137	10.8
111.08041	1.3
114.84352	0.9
117.06987	1.5
119.08569	17.9
121.06490	2.6
121.10136	15.1
123.08073	9.8
123.11663	2.4
125.09616	0.9
131.08551	3.6
133.10115	12.1
135.08006	2.9
135.11673	10.4
137.09581	2.6
137.13220	1.6
143.08488	1.2
145.10135	3.4
147.08072	0.8
147.11702	4.7
149.09641	1.3
149.13255	8.6
153.09122	1.7
157.10092	1.3
159.11685	13.2
161.09584	1.2
161.13232	41.6
162.13419	0.9
163.07567	2.0
163.11134	1.2
163.14819	3.3
167.10735	1.7
171.11639	1.2
173.13220	9.0
175.11142	1.4
175.14822	8.8
177.12727	10.6
179.14290	100.0
180.14636	1.4
185.13280	1.0
187.14789	1.3
189.11232	0.9
189.16347	1.7
191.14319	8.8
193.12245	1.2
193.15814	10.3
195.13803	9.4
201.12764	2.4
203.14291	1.2
205.12277	1.2
209.15355	10.3
219.13771	16.9
227.12482	1.2
227.99557	0.9
229.14314	1.7
231.13736	1.6
237.14825	5.8
237.18513	3.4
249.14789	1.6
251.19998	8.7
255.15938	3.9
261.18576	1.3
261.21967	1.5
279.19608	2.0
281.17770	1.1
291.19421	1.4
297.20877	1.1
335.25754	1.1
378.48480	0.9
448.61279	1.1
453.33487	1.3
461.36334	3.8
471.34784	4.2
472.19751	0.9
472.34888	1.1
489.35791	16.4
507.35983	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	507.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.01863	4.9
55.05500	19.3
57.03426	4.8
57.07072	3.6
62.13509	2.8
65.03926	2.8
67.05489	18.1
69.07057	13.0
69.35337	6.1
69.35752	22.5
69.61902	2.7
71.04984	22.1
79.05482	23.2
81.03410	5.3
81.07049	40.3
83.04952	6.1
83.08597	7.1
91.05469	22.8
93.07029	41.5
95.04948	9.2
95.08591	44.2
97.06522	6.9
97.10120	4.9
105.07026	28.6
107.08582	43.7
109.06501	8.5
109.10144	22.1
117.07023	6.4
119.08569	71.9
121.06461	6.1
121.10130	28.6
123.08071	7.0
123.11692	7.1
125.09621	3.2
127.11153	17.5
128.06181	2.4
129.06940	4.6
131.08530	10.7
133.10129	41.7
135.08003	3.3
135.11670	34.7
137.09587	4.0
137.13232	7.3
143.08542	4.2
145.10078	21.3
147.11652	28.1
149.13268	3.4
151.11203	5.2
153.12717	11.8
157.10094	7.6
158.10841	3.6
159.11668	24.1
161.09549	4.4
161.13210	12.1
163.11160	11.6
163.14758	4.0
165.09120	4.2
171.11659	12.5
173.13235	12.0
175.14812	100.0
177.16374	2.9
181.12196	9.3
185.13260	9.3
187.14758	10.8
189.12711	4.7
189.16397	19.8
191.10622	2.7
191.18016	3.3
197.13310	4.5
199.14857	6.0
201.16362	36.9
203.17900	35.9
207.13745	7.6
213.16275	2.8
215.17879	6.6
216.15173	2.9
217.19487	12.8
227.17969	5.3
245.18930	4.3
254.20239	3.9
255.21065	3.4
261.18561	4.4
265.18021	3.8
281.17578	3.9
283.15326	9.0
305.21063	12.4
357.23868	3.3
407.33151	5.4
415.28217	5.1
417.31509	3.9
425.34155	5.2
429.29993	8.1
435.32523	17.1
443.30981	4.0
453.33603	86.2
471.34665	43.9
489.28259	13.0
489.62509	3.1
507.29361	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	507.3671
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
53.03941	14.3
55.05514	41.2
57.03431	12.2
67.05494	80.7
69.07062	29.4
71.04984	31.6
77.72869	8.9
79.05482	77.0
81.03423	12.4
81.07045	91.3
83.04961	12.9
83.08600	22.6
87.55807	10.4
91.05450	69.5
93.07014	100.0
95.04968	23.2
95.08594	84.0
97.06584	12.1
97.10221	9.1
97.32163	8.8
98.20708	19.8
105.07013	73.9
107.04959	13.9
107.08577	77.2
109.06498	11.0
109.10129	38.9
117.06994	14.4
118.48447	8.0
119.08547	93.3
121.06512	15.8
121.10102	61.4
121.10866	9.9
123.08088	9.7
123.11720	15.1
127.11188	13.6
129.06966	9.9
131.03682	8.0
131.04948	8.0
131.08572	23.3
133.10133	81.0
135.08026	15.5
135.11678	41.6
137.09698	9.0
143.08554	12.6
145.10150	41.1
147.11646	51.9
149.09563	11.0
149.13187	7.5
159.11707	32.7
161.13206	21.3
163.11217	26.8
171.11658	26.2
173.13243	19.8
175.14784	58.4
177.16464	8.7
187.14789	39.3
189.16322	15.9
195.13821	19.5
197.13069	11.6
201.16388	24.9
202.16722	10.6
203.17909	88.0
205.15831	22.9
207.13806	17.8
215.17978	21.5
220.99664	9.1
283.15314	14.3
287.26492	9.5
294.63425	8.1
336.20670	9.7
453.33542	30.3
471.34534	30.3
489.28476	22.0
489.35416	12.8
496.25232	10.1
507.34930	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	507.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05809	2.4
51.44380	2.3
53.03933	3.9
53.93176	2.3
55.01867	4.8
55.05500	17.5
57.03426	2.9
57.07065	10.9
59.04981	6.2
59.05551	2.1
65.03942	2.5
67.05485	33.3
68.37224	2.4
69.03419	9.0
69.07059	54.7
69.47459	22.4
69.81705	2.2
71.04973	6.8
79.05488	21.6
81.03432	6.0
81.07041	85.5
83.04967	7.1
83.08604	29.2
85.02895	4.8
85.06538	11.8
89.06018	2.7
91.05471	21.2
93.07030	33.4
95.04950	9.9
95.08595	88.0
96.08937	4.3
97.02856	4.4
97.06503	7.3
97.10159	11.8
99.08079	9.7
99.84380	2.6
100.11243	3.0
103.05439	7.9
105.07021	21.5
107.04943	6.5
107.08572	35.7
109.06520	7.8
109.10143	63.2
110.10534	2.5
111.08058	13.9
111.11702	11.7
115.76167	2.6
117.06969	4.9
119.04914	7.0
119.08574	20.4
121.06534	5.4
121.10138	36.3
122.03618	4.7
123.08066	8.2
123.11694	47.8
125.09631	5.0
125.13251	7.2
127.03906	5.4
129.06961	4.7
131.04913	7.4
131.08556	5.1
133.06441	5.7
133.10100	15.6
135.08026	4.5
135.11684	28.1
137.05963	57.5
137.09607	12.6
137.13258	24.8
139.11166	6.8
145.06465	4.3
145.10121	5.6
147.04448	3.7
147.08058	2.5
147.11676	17.7
149.05942	5.4
149.09558	6.7
149.13246	23.6
151.03880	2.9
151.07555	12.5
151.14780	6.8
153.01891	5.6
153.05511	7.9
153.06891	2.6
153.12752	5.8
155.14275	4.1
157.06461	3.1
159.11644	6.2
161.05962	14.8
161.09650	4.9
161.13257	7.9
163.07542	9.3
163.11195	3.0
163.14734	17.1
165.06970	5.7
165.09091	100.0
165.12805	3.3
165.16339	6.3
167.06969	9.7
167.14279	3.5
168.07402	2.4
171.11641	2.6
173.09589	4.2
173.13214	2.4
175.07527	15.5
175.14854	3.9
177.05373	3.2
177.16351	10.7
181.04930	11.1
182.15343	5.4
185.13268	3.1
187.07454	3.5
187.14899	3.1
189.09082	7.6
189.16336	7.0
191.02527	2.6
191.17885	9.4
195.07968	3.5
195.17407	3.3
201.12921	2.5
203.17940	5.4
205.12170	6.1
210.06665	3.0
217.19499	6.2
221.05893	8.5
224.08446	3.6
225.09117	6.3
233.22662	2.6
251.23763	3.7
253.08479	7.3
261.25714	13.4
267.10022	4.0
273.25732	29.7
279.06232	3.3
279.26807	25.0
285.11142	15.0
291.26730	50.3
309.27808	26.9
313.10602	6.2
327.12430	4.2
463.17325	3.4
489.18784	11.0
507.19946	14.8
507.26660	2.9
507.38947	6.4
516.88196	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	507.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01852	2.3
55.05513	17.2
57.03429	3.6
57.07071	11.8
59.04981	4.7
67.05170	1.8
67.05499	23.6
69.03422	8.5
69.07059	72.2
69.83448	4.4
69.83863	4.9
71.04980	7.2
71.08627	6.4
73.06541	1.6
79.05485	15.0
81.03410	3.4
81.07048	100.0
82.07367	1.8
83.04952	3.7
83.08612	18.8
85.02890	18.8
85.06534	14.0
85.10158	2.0
87.72379	1.3
89.05992	1.3
91.05457	8.9
93.07028	35.9
95.04945	5.0
95.08595	73.6
97.02869	5.2
97.06525	10.8
97.10147	10.8
98.21519	2.0
99.04464	3.2
99.08062	7.7
103.05435	1.6
105.03380	4.2
105.07005	14.2
107.04946	2.1
107.08579	39.9
108.08910	1.7
109.02818	4.3
109.06499	4.6
109.10139	47.0
111.04462	1.6
111.08064	15.3
111.11714	17.0
113.09608	2.7
115.03961	1.5
117.06927	1.9
119.04972	1.5
119.08547	10.5
121.06493	4.7
121.10131	28.2
123.04356	1.8
123.08071	2.4
123.11693	40.0
125.09592	4.3
125.13275	2.5
127.03889	5.3
127.07548	1.5
127.11224	1.5
129.07002	1.8
131.04890	2.2
131.08513	2.5
133.06496	1.5
133.10118	7.4
135.08037	3.9
135.11678	21.9
137.05972	23.2
137.09613	5.4
137.12291	2.6
137.13243	29.8
137.14229	2.7
137.76587	1.2
139.11166	15.1
140.08568	1.3
140.39473	1.3
141.12686	2.5
141.24821	1.3
145.04962	2.8
145.06427	1.4
145.10104	3.6
147.11667	10.5
149.06039	2.0
149.09589	4.0
149.13243	24.4
151.03874	4.4
151.07471	1.9
151.14789	5.0
153.01869	2.0
153.12714	17.9
155.14287	8.6
159.11664	2.6
161.06030	1.9
161.09508	2.1
161.13251	7.6
163.07489	2.6
163.11143	4.9
163.14841	10.8
165.09117	10.2
165.12730	10.1
165.16319	2.0
167.07037	6.5
167.14297	6.3
170.21788	1.3
171.13771	4.8
175.14850	4.5
177.16368	6.4
179.17854	1.4
181.04897	2.0
183.13725	3.5
185.15384	1.7
188.11540	1.3
189.16371	4.4
191.17912	5.2
201.09279	1.5
203.17920	3.6
205.12288	3.0
205.19479	4.5
209.04306	1.5
213.18558	2.1
217.19487	5.3
223.20317	1.6
227.12796	2.0
235.20551	2.3
261.25827	2.8
273.25742	9.9
279.26794	10.4
291.26770	39.0
297.27863	5.0
309.27826	16.2
313.10815	1.5
327.28882	4.2
330.87970	1.5
476.28787	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99292	0.8
53.03930	2.2
55.01854	2.1
55.05251	1.6
55.05500	14.8
57.03424	2.1
57.07065	10.4
59.04994	1.9
61.02903	1.3
65.03928	1.5
67.05494	26.6
69.03413	6.6
69.07056	46.7
69.27042	8.9
69.36340	0.7
71.04977	4.9
71.08629	5.9
72.44528	0.8
73.02902	1.5
79.05476	16.3
81.03417	3.1
81.07042	100.0
82.07412	0.8
83.04974	2.0
83.08604	17.0
85.02892	11.9
85.06523	14.2
85.10114	0.9
90.87087	0.7
91.05447	6.8
91.44707	0.8
93.07033	34.4
95.04956	4.1
95.08591	76.8
96.08907	1.2
97.02873	3.4
97.06506	7.0
97.10156	9.9
97.59060	0.7
99.04441	1.3
99.08082	9.6
105.07016	12.5
107.04951	1.7
107.07850	1.8
107.08575	36.8
109.02856	2.9
109.06508	2.6
109.10138	53.9
111.04417	1.1
111.08067	10.5
111.11712	9.8
113.09660	2.1
117.06979	1.3
119.06213	1.1
119.08553	9.0
121.02873	2.1
121.06470	1.8
121.10123	27.8
123.04469	0.9
123.08035	1.7
123.11686	50.2
125.06020	1.6
125.09616	3.5
125.13256	2.6
127.03890	1.5
127.07533	0.7
127.11191	2.0
129.93776	0.8
131.04880	2.1
131.08560	1.5
133.06462	1.1
133.10095	6.4
135.08070	1.1
135.11664	22.2
137.05957	10.8
137.09578	2.3
137.13239	30.5
139.11148	7.6
141.12732	3.5
143.08539	1.4
145.04895	1.4
145.10132	1.7
147.11659	9.0
149.09715	0.9
149.13237	28.3
151.03970	0.9
151.07527	2.1
151.11198	1.7
151.14806	6.8
153.01787	0.9
153.05429	1.1
153.12721	14.7
155.14308	2.6
159.11639	1.3
161.05974	2.2
161.09653	1.2
161.13264	4.9
163.06061	1.3
163.07550	2.4
163.11250	1.8
163.14793	14.2
164.00409	0.8
165.09114	7.9
165.12721	4.2
165.16353	2.6
167.07018	9.0
167.14247	6.0
169.15919	0.8
171.13806	2.3
173.05997	1.0
173.09499	0.7
173.13306	1.1
175.07532	1.9
175.14804	2.5
177.09114	1.6
177.16354	13.3
179.03325	0.9
179.07057	1.1
179.17946	2.5
181.04869	2.1
181.08611	0.9
181.15819	1.3
183.13849	1.1
187.11154	0.8
189.16371	3.0
191.07025	1.2
191.17961	4.9
193.19521	0.9
195.17445	4.1
197.11707	2.4
199.07458	2.2
203.17978	3.7
205.19505	3.7
207.13815	1.2
209.18935	1.3
211.07632	1.1
213.18456	3.0
217.19519	5.0
221.18991	1.2
223.20473	4.0
233.56950	1.1
235.20604	1.6
247.24266	1.6
261.25687	4.8
265.08566	1.9
273.25739	12.6
279.26791	7.6
291.26785	40.0
297.27902	5.4
309.24329	0.8
309.27820	17.3
327.28760	6.2
335.12738	1.4
507.19427	1.7
507.28210	1.8
508.20175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	17.2
57.07073	11.2
59.04990	2.5
67.05498	28.7
69.03417	4.8
69.06714	4.0
69.07059	46.9
70.06577	2.7
71.04975	4.5
71.08607	2.4
71.71819	2.6
79.05473	15.4
81.03416	5.3
81.07046	100.0
83.04954	3.7
83.08610	23.0
85.02905	10.6
85.06512	13.3
88.58356	2.4
91.05453	13.0
91.54064	2.2
93.07031	39.0
95.04980	4.2
95.08595	72.2
97.02857	3.6
97.06536	6.2
97.10155	11.5
99.08101	2.7
105.07021	16.7
107.04913	3.1
107.08586	34.0
109.06471	4.0
109.10150	60.6
111.04442	3.1
111.08076	3.5
111.11697	17.0
113.32191	2.9
119.04915	2.8
119.08560	19.3
121.10139	26.5
123.08042	2.5
123.10801	4.1
123.11697	72.7
125.09534	4.0
125.13223	3.9
133.10129	8.1
135.08041	2.7
135.11693	29.3
137.05948	5.5
137.09615	5.3
137.13246	23.6
139.11176	5.7
145.10094	3.3
147.04399	4.0
147.11679	14.4
149.13226	25.8
151.07593	3.0
151.14857	7.1
153.12737	13.2
155.14288	17.2
157.10100	2.9
161.13232	11.5
163.14792	28.9
165.09071	4.6
165.12753	3.8
165.16426	6.6
167.07037	2.8
167.14284	4.3
168.13857	5.6
175.14798	4.6
177.09108	2.5
177.16393	12.9
179.18021	4.3
183.13771	3.4
189.16418	6.3
191.17941	5.2
196.13281	2.8
203.17961	8.0
217.19493	10.4
222.60245	2.2
261.25790	3.8
273.25742	39.4
277.54987	2.4
279.26892	5.0
291.26794	62.8
291.56058	2.5
309.27893	19.5
312.26587	3.5
327.28848	4.5
507.38904	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	507.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64428	0.2
55.05506	1.0
55.53980	0.2
57.03442	0.2
57.07064	0.3
58.95886	0.2
59.06109	0.2
65.03927	0.4
67.05170	0.2
67.05498	3.8
69.03411	0.7
69.07061	1.2
69.60614	0.2
69.60959	1.5
71.04970	0.3
79.05487	1.0
81.07048	4.7
83.04978	0.9
83.08609	0.6
85.02892	0.4
85.06532	0.7
91.05477	1.1
92.13229	0.2
93.07027	2.2
95.04936	0.8
95.08599	4.4
97.06503	0.5
97.10159	0.4
99.04425	0.2
99.08071	0.3
105.07011	0.9
107.04900	0.4
107.08592	1.8
109.02844	0.4
109.06492	0.7
109.10143	6.5
111.08086	0.5
111.11716	0.3
113.05974	0.2
113.09665	0.2
117.06976	0.3
119.08568	2.8
121.06480	0.5
121.10120	1.6
122.07281	1.5
123.08029	0.5
123.11699	3.0
125.05950	0.3
125.09637	0.4
127.03912	0.2
127.11163	0.2
129.06998	0.2
129.09082	0.4
131.07024	0.2
131.08627	0.2
133.06435	0.2
133.10088	0.5
135.08049	0.4
135.11690	1.1
137.05974	1.5
137.09596	11.8
137.13216	0.5
139.07495	0.3
139.11179	0.5
141.09088	0.6
145.06413	0.2
145.10071	0.4
147.08029	0.3
147.11671	0.9
149.05988	0.3
149.09587	0.9
149.13225	0.7
151.07576	0.9
153.09050	0.3
153.12646	0.2
155.10664	0.4
157.08568	0.7
157.10063	0.3
159.11653	0.6
161.05945	0.3
161.09615	0.2
161.13239	0.5
163.14775	0.5
164.08249	0.2
165.09091	100.0
166.09442	1.4
167.07050	0.6
173.11702	0.2
173.13135	0.2
175.07484	0.4
175.11086	0.3
175.14815	0.4
177.09087	0.5
177.16260	0.3
179.10712	0.2
181.04932	0.2
183.10101	0.3
187.09653	0.5
187.11192	0.2
187.13293	0.2
189.09068	0.2
191.10661	0.3
197.13303	0.2
199.11015	0.2
201.11232	0.4
203.10655	1.1
203.14284	0.4
203.17917	0.6
205.12195	3.6
207.10193	0.3
219.13643	0.2
221.15407	0.2
221.18970	0.4
223.13295	0.6
229.12172	0.2
231.13919	0.2
238.09650	0.2
245.15414	0.3
251.13429	0.2
267.16000	0.4
267.19534	0.6
279.26752	0.2
289.21426	0.2
291.23132	0.6
291.26730	0.6
299.19498	0.2
309.27750	0.3
319.22595	0.5
325.23816	0.4
337.23724	1.6
355.24677	0.3
425.30469	0.5
443.31653	0.9
471.31155	0.8
489.18408	0.2
489.32285	0.9
507.32709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05505	0.6
57.03423	0.4
57.07062	0.6
59.05003	0.3
65.03932	0.3
67.05496	4.0
69.03413	0.9
69.07060	1.5
70.28368	0.7
71.04966	0.6
77.03905	0.2
79.05478	1.0
81.03419	0.5
81.07049	5.1
83.04967	0.8
83.08591	0.7
85.02893	0.5
85.04695	0.2
85.06522	1.5
88.25304	0.2
91.05461	1.2
93.07042	1.2
95.04936	0.8
95.08595	6.3
97.02892	0.4
97.06496	0.5
99.04431	0.6
99.08082	0.5
105.07012	1.2
107.04933	0.5
107.08582	1.7
109.02827	0.2
109.06492	0.4
109.10139	6.5
111.08068	0.7
111.11720	0.3
113.05970	0.7
113.09657	0.5
117.07054	0.3
119.04951	0.3
119.08571	3.2
121.06470	0.8
121.10136	1.4
122.07273	2.3
123.08029	1.3
123.11698	3.0
125.05987	0.3
125.09586	0.5
129.09128	0.2
131.08575	0.3
133.06490	0.4
133.10135	0.5
135.08049	0.5
135.11662	0.8
137.05968	2.4
137.09598	11.3
137.13229	0.7
139.07538	0.3
139.11191	0.2
141.09082	1.5
145.10120	0.4
147.04417	0.4
147.08046	0.3
147.11674	0.6
149.09579	0.6
149.13258	0.6
151.03891	0.3
151.07527	2.1
153.05479	0.2
153.09106	0.3
153.12700	0.3
155.10617	0.3
155.14240	0.3
157.08575	0.7
157.09978	0.2
159.11783	0.3
161.05986	0.3
161.09570	0.3
161.12083	0.2
161.13303	0.4
161.47292	0.2
163.07477	0.3
163.11205	0.2
165.09093	100.0
166.09483	1.4
167.07040	1.0
167.14314	0.2
169.08589	0.4
173.11699	0.2
173.13228	0.3
175.07539	0.4
175.11084	0.4
177.09192	0.4
177.16420	0.4
179.07030	0.2
181.04915	0.9
187.09613	1.9
187.11160	0.3
189.12762	0.3
189.16382	0.3
191.06790	0.2
199.07581	0.4
203.10669	0.7
203.14304	0.3
205.12230	1.8
207.10028	0.3
212.17407	0.2
215.17502	0.2
229.74918	0.2
291.23254	0.5
291.26425	0.4
309.27734	0.4
317.21078	0.5
319.22589	0.5
319.88779	0.2
325.23386	0.2
337.23550	2.2
355.24854	0.3
425.30515	0.3
443.31363	0.2
471.30740	0.6
489.17972	0.4
489.31943	0.8
507.32562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2948
Annotation	Mucronine A
Peak:m/z	Relative Intensity
53.03934	5.3
55.01855	5.4
55.05501	26.9
57.03426	11.5
57.07037	1.6
58.59419	1.1
59.04975	2.2
65.03928	3.5
67.05495	57.0
69.03426	8.1
69.07059	20.3
69.63813	1.1
69.64127	8.7
70.07411	1.2
71.01334	1.2
71.04984	7.1
71.08625	1.3
72.31054	1.1
79.05481	47.6
81.03407	41.3
81.07043	64.1
83.04968	15.0
83.08606	21.5
85.02892	19.6
85.06524	5.1
87.04477	1.3
91.05470	48.1
93.07031	41.0
94.04168	1.8
95.04956	34.9
95.08594	27.1
97.02888	4.3
97.06511	6.0
97.10162	11.3
99.04446	1.7
99.08051	3.5
103.05436	2.1
105.04492	2.0
105.07018	33.2
107.04200	1.4
107.04935	24.4
107.08586	23.6
109.06503	9.6
109.09448	1.9
109.10142	21.9
110.11475	1.2
111.04422	4.6
111.08053	7.6
111.11721	1.3
115.05437	4.6
116.06250	1.9
117.06998	12.7
118.34516	1.3
119.04975	1.5
119.08559	27.2
119.09344	2.1
120.08904	1.4
121.02866	1.3
121.06481	8.1
121.10132	15.5
123.04402	2.6
123.08046	5.5
123.11678	6.8
125.09601	9.6
127.11174	1.8
128.06168	1.8
129.06995	12.9
131.04913	4.6
131.08551	22.5
133.06462	4.3
133.10098	13.9
135.08060	6.8
135.11667	4.7
137.05981	5.4
137.09602	4.0
137.13274	2.2
138.56609	1.4
141.06981	4.4
142.07753	2.2
143.08545	4.3
145.06482	3.4
145.10091	9.8
147.04489	1.2
147.08061	3.4
147.11674	18.8
149.05968	2.3
149.09615	5.4
149.13217	2.8
151.03903	1.5
151.07573	1.5
151.11201	1.9
153.09093	1.8
155.08568	2.6
157.06447	1.3
157.10115	11.1
159.07997	2.1
159.11646	7.4
161.09589	3.7
161.13231	4.0
163.11214	3.3
163.14828	1.7
165.09099	8.1
165.12762	6.7
169.10149	4.4
171.11707	4.0
173.09587	1.4
173.11731	2.6
173.13110	1.6
175.11127	8.2
175.14841	1.7
177.12717	6.7
179.10780	1.3
183.11662	2.0
185.09692	1.4
185.13252	2.2
187.11194	4.8
187.14827	1.7
189.09015	1.6
189.11188	6.1
189.12704	2.2
189.16373	1.6
193.12204	27.2
196.05531	1.2
197.13304	2.2
205.12190	9.2
207.13812	2.3
209.11598	1.9
211.13254	34.1
219.13858	2.1
223.13246	61.0
227.12659	6.9
229.14375	4.0
243.13890	1.4
245.15550	2.3
247.13274	3.4
261.14755	2.0
267.15887	14.9
279.15836	6.3
285.16986	1.5
297.16922	6.5
309.18027	1.5
343.14404	1.4
369.24109	2.3
372.00134	1.3
379.22568	1.3
387.25363	2.1
397.23615	2.1
415.24686	4.4
439.26846	1.4
443.27612	1.6
461.29135	1.9
471.27277	1.7
489.28378	25.1
489.34933	1.5
507.29483	100.0
508.20599	1.9
508.29834	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70692	1.4
53.03941	2.5
55.01855	3.5
55.05504	6.1
56.49436	1.2
57.03441	7.1
61.02910	3.1
67.05490	5.6
69.03422	13.1
69.07069	10.3
70.06572	2.2
71.04979	4.6
71.62131	3.0
73.02932	7.4
79.05486	8.7
81.03432	7.3
81.07040	16.5
83.04958	4.1
83.08607	8.7
85.02408	2.3
85.02898	24.6
85.06540	6.0
87.04449	2.7
91.05461	5.0
93.07032	14.1
95.04964	4.2
95.08042	1.9
95.08609	24.7
97.02883	14.9
97.06543	2.7
97.10154	5.7
99.04448	4.2
99.08086	16.7
103.05418	2.2
105.07031	7.7
107.04935	2.4
107.08591	29.7
109.02862	6.2
109.06501	1.7
109.10142	8.7
111.08067	9.1
115.03911	3.7
117.06979	1.6
119.04858	1.5
119.08568	5.1
121.02837	2.3
121.06512	3.3
121.10132	45.2
121.11015	2.2
121.29660	1.5
123.04403	1.6
123.08035	1.9
123.11739	2.2
125.09608	4.4
127.03915	8.7
131.04913	4.5
131.08533	2.9
133.04958	7.3
133.06477	2.0
133.10109	5.4
134.43520	1.6
135.04405	1.9
135.07999	1.6
135.11681	11.4
137.05971	18.7
137.09563	1.6
137.13222	5.8
138.09175	2.2
139.03958	1.8
143.08571	2.0
145.04927	6.5
145.06534	1.6
145.08601	1.7
145.10088	2.6
147.04390	2.3
147.08015	1.7
147.11703	2.0
149.13179	3.5
151.03854	3.1
151.07492	3.8
153.01772	3.1
161.05945	2.6
161.09616	1.8
163.06079	3.0
163.07495	6.3
163.11166	3.6
166.08658	2.9
167.07059	7.3
167.08232	1.6
175.07527	2.3
175.14795	5.7
176.15039	2.3
177.16376	100.0
180.30974	1.4
181.04951	2.5
181.12222	1.9
189.09065	1.6
191.10643	2.5
195.10065	1.8
195.17447	22.0
199.08609	2.6
204.06532	4.2
204.53130	1.6
205.08611	2.7
205.12195	2.3
213.18492	50.4
227.08180	2.1
227.12840	2.1
233.07968	2.4
235.07368	1.5
235.13486	1.4
259.08139	1.9
268.08228	2.1
293.08130	1.6
295.10046	2.7
299.05542	4.5
299.09082	7.4
299.12521	3.5
307.09479	2.6
309.11023	2.4
327.12177	4.9
339.12234	3.7
345.13263	15.1
351.12256	2.3
357.13596	1.7
369.13446	1.9
507.13669	18.0
507.20343	11.9
508.13611	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01854	3.2
55.05505	7.3
57.03430	8.6
57.07092	1.6
61.02908	1.9
67.05490	7.4
68.41104	1.4
69.03410	15.7
69.07055	13.2
71.04976	11.5
71.62018	1.5
71.62386	2.5
73.02899	6.8
79.05479	11.7
81.03391	7.6
81.07045	15.8
83.04964	6.6
83.08600	9.0
85.02886	28.1
85.06521	5.1
87.04454	2.3
91.05458	8.4
93.07037	19.3
95.04957	5.3
95.08592	23.6
97.02868	12.2
97.06516	3.9
97.10149	4.5
99.04432	4.7
99.08068	13.7
100.72694	1.4
101.05992	9.0
103.03930	2.4
103.05452	24.5
105.07019	8.2
107.04940	10.8
107.08578	29.1
109.02887	7.4
109.06474	2.3
109.10128	8.3
111.04414	3.1
111.08074	7.3
113.06012	1.6
115.03925	4.5
115.05415	3.0
117.06970	2.6
119.04931	2.5
119.07050	2.9
119.08571	3.8
121.06481	6.7
121.10122	47.1
121.10992	2.3
122.03688	2.4
123.04418	2.3
123.08026	2.0
123.11748	1.9
125.09603	4.1
127.03924	12.0
129.05449	2.9
129.07018	1.8
131.04904	38.8
131.06949	1.6
131.08546	2.4
133.04916	5.6
133.06418	2.8
133.10094	3.1
135.08017	4.2
135.11652	10.1
137.05951	43.7
137.13240	3.6
138.59474	1.6
139.11176	3.0
145.04950	4.6
145.06444	1.8
145.10120	6.5
147.04405	3.2
147.06480	1.9
147.08012	2.4
147.11667	2.2
149.05936	4.7
149.09595	2.5
149.13239	3.7
151.03864	3.1
151.07538	13.3
153.01846	2.0
153.05487	2.3
158.10603	1.5
159.08066	2.3
161.05949	15.6
161.09615	3.9
162.06699	2.2
163.06129	2.7
163.07510	67.5
163.11140	9.5
165.09122	2.4
167.06981	3.2
169.08626	2.1
172.03760	1.5
173.09711	1.7
175.07475	10.5
177.09042	24.4
177.16353	100.0
181.08640	5.0
181.12151	2.2
189.09114	7.7
191.07014	1.8
191.10625	6.6
193.08438	2.5
195.10141	3.1
195.17392	18.4
203.10597	3.3
205.08556	3.8
207.10114	16.4
209.11714	6.8
213.06555	2.2
213.18457	38.7
219.10161	5.2
221.11690	6.0
223.07559	1.6
225.43532	1.4
227.12794	12.8
241.07166	1.9
249.11334	1.8
261.31750	1.5
265.08340	1.7
287.12671	2.2
297.11276	2.1
299.12723	4.7
313.14273	2.9
324.52155	1.6
327.12357	2.5
331.15414	8.0
353.16049	2.9
357.18265	2.3
507.19626	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2795
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
52.80279	1.5
53.03934	2.8
55.01867	27.6
55.05500	15.8
56.46508	1.2
57.03429	49.1
57.07073	3.7
59.04983	5.7
60.32528	1.2
61.02920	13.4
67.05489	7.6
69.03420	38.2
69.07058	30.7
69.72427	10.6
71.01337	10.0
71.04981	9.0
73.02912	39.5
74.68074	1.5
75.04436	1.7
79.05495	8.0
81.03392	5.5
81.07043	24.0
83.04976	7.8
83.08607	5.9
84.04539	1.9
85.02895	84.1
85.06537	17.5
87.04438	7.7
91.03951	1.6
91.05464	6.6
93.07033	11.8
94.04190	1.8
95.04945	2.4
95.08597	32.0
97.02882	33.2
97.06519	5.9
97.10149	6.3
98.20766	2.8
99.04445	2.9
99.08079	18.2
99.63225	1.3
101.06027	1.8
103.03928	7.4
103.05465	12.9
104.58820	1.3
105.06991	5.2
106.85908	1.4
107.04957	6.2
107.08575	27.2
109.02862	5.3
109.06474	3.2
109.10148	13.7
111.04477	2.4
111.08058	3.8
111.11698	5.8
112.48990	1.4
113.09621	6.4
115.03154	2.3
115.03918	33.3
117.07011	2.7
119.04950	2.8
119.08544	2.7
121.06487	5.0
121.10133	33.3
122.03581	2.5
123.04494	1.8
123.08052	3.0
123.11730	7.4
125.05991	1.6
125.09619	6.6
127.03905	15.8
127.05825	1.6
127.11176	2.2
129.06937	2.5
131.04906	20.5
131.08549	2.8
133.04948	45.2
133.10088	2.4
135.08093	1.8
135.11679	14.0
137.05957	32.4
137.09619	1.8
137.13232	16.1
138.05437	7.4
139.05830	5.2
139.07477	1.8
139.11134	7.4
145.04945	16.0
145.06081	2.2
145.10127	1.9
147.04399	4.2
149.05975	2.7
149.09578	1.5
149.13289	4.0
151.03833	1.8
151.07533	6.6
151.14818	2.6
151.67697	1.5
153.02025	1.8
153.12717	9.3
161.06003	9.3
161.09579	2.5
162.06699	2.6
163.06084	3.8
163.07509	35.5
163.11148	3.1
167.07047	2.5
168.06543	1.5
171.08099	2.3
171.96747	1.7
172.34212	1.4
173.05956	3.4
173.08154	1.9
175.07535	6.3
177.09129	12.5
177.16367	86.2
178.09375	1.8
179.06967	1.3
181.08611	2.9
187.06068	1.5
187.07617	4.0
189.09109	9.8
191.07111	1.6
191.10565	2.4
193.04945	1.7
195.17435	46.8
204.08649	2.1
205.08650	5.4
207.10155	7.2
213.18468	100.0
219.10162	15.1
221.11810	3.5
227.12781	1.9
237.18570	2.0
287.12607	1.5
291.19455	1.7
297.20712	2.2
299.12802	1.9
307.09769	1.8
309.20590	2.0
313.14047	2.6
331.15231	4.3
345.13498	1.5
345.22714	2.1
353.13605	2.7
357.13162	1.8
375.14044	1.5
375.23822	11.2
507.21097	2.9
507.28177	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	507.2217
Annotation	Aviculin
Peak:m/z	Relative Intensity
50.67177	1.2
55.01855	3.7
55.05493	3.5
57.03436	5.6
64.10583	1.2
65.03925	1.7
67.05476	4.0
69.03420	19.2
70.14039	6.0
71.01338	3.0
71.04986	9.1
73.02909	2.8
75.04451	2.1
79.05484	6.1
81.03407	2.2
81.07022	2.9
83.04971	10.5
85.02888	28.3
85.06540	1.7
87.04456	2.2
91.05474	16.6
93.07009	1.7
93.12500	1.2
95.04956	18.2
95.08593	1.8
96.69244	1.2
97.02872	3.0
97.06506	5.7
98.20746	1.4
99.04442	4.9
103.05442	16.0
105.07024	10.3
107.04949	6.7
107.08544	2.2
109.02912	1.4
109.06428	1.3
111.04417	9.8
113.05984	6.4
115.03997	1.4
115.05434	7.3
116.06223	1.3
117.07004	5.8
119.04912	11.3
121.06498	5.2
121.10091	1.7
122.03596	6.7
123.04455	2.0
123.08063	2.2
127.03866	2.9
128.06207	3.8
129.05463	8.1
129.06953	7.2
131.04904	37.7
131.08539	1.9
132.05663	2.1
133.02904	2.5
133.06479	12.6
135.04410	3.8
135.08037	3.6
135.11690	1.1
136.05171	2.4
137.05951	100.0
141.05408	1.6
141.06932	5.6
143.04901	6.7
143.08527	2.5
144.05786	1.3
145.06491	11.2
145.08562	2.4
147.04385	28.0
148.05150	3.0
149.05948	11.3
150.55551	1.3
151.03969	1.7
151.07518	79.9
153.05431	1.5
153.06923	2.3
155.08545	3.3
157.06462	10.3
158.07202	1.7
159.04370	5.0
159.08051	4.6
160.05164	7.9
161.05959	15.2
161.09567	2.4
162.06668	2.3
163.07512	57.7
165.05478	2.2
165.06892	1.4
165.09070	9.0
167.04895	2.3
167.07004	21.4
169.06482	5.0
171.04456	1.3
171.08029	6.1
172.05249	1.6
173.05995	3.8
173.09659	1.6
174.06709	4.3
175.07526	32.1
176.04692	2.5
176.07970	1.4
177.05441	25.8
177.09048	11.0
179.07028	22.0
181.06433	1.7
181.08539	2.3
183.08037	6.1
185.05957	4.7
186.06818	1.4
187.07524	16.4
188.08379	1.3
189.05370	1.4
189.09059	18.6
190.06186	2.6
191.05371	2.4
191.07010	34.4
191.10619	3.1
192.07777	1.5
193.04912	1.3
193.08594	10.0
195.06490	3.5
195.08144	1.7
195.10155	4.0
197.05963	4.7
199.07484	11.9
199.11299	1.2
200.08313	1.3
201.05559	1.7
201.09056	11.5
203.06995	12.4
203.10646	5.3
204.07814	1.8
205.08553	13.0
205.12183	1.5
207.06471	2.7
207.10086	9.7
209.08035	1.5
211.07489	4.5
213.09138	3.6
214.06323	1.8
215.06976	6.6
215.10645	6.9
216.07832	2.2
217.08542	23.2
218.09285	1.4
219.10106	7.2
221.08055	7.8
225.08954	2.3
227.10764	1.5
228.07779	1.3
229.08531	15.4
231.10078	6.2
233.08047	9.4
233.11681	3.3
235.09677	2.5
240.94431	1.2
241.08519	1.9
243.10143	6.4
245.08018	2.9
247.09671	4.6
249.11243	7.7
259.09637	9.1
261.11194	4.2
263.08978	2.4
269.08188	2.7
271.09622	3.9
275.10049	1.8
275.12665	8.9
277.10733	3.7
285.11496	1.6
289.10553	7.6
293.13824	4.7
295.11707	4.5
297.11118	2.4
299.12637	1.4
307.11682	27.6
309.10934	1.6
311.12711	1.9
313.14365	1.5
323.12695	3.2
331.15228	4.6
335.12762	3.2
353.13885	1.9
355.15347	2.0
409.16284	1.7
418.87137	1.3
477.19043	1.4
507.20261	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1131
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.02371	1.0
53.03938	3.3
55.01864	2.2
55.05502	4.7
57.03421	3.6
57.07069	1.9
61.02917	5.8
65.03931	1.4
67.05495	6.6
68.99786	1.0
69.03420	40.7
69.07059	9.0
69.49474	2.2
69.49886	6.4
71.01334	1.4
71.04978	4.5
73.02901	1.3
73.06538	1.6
77.03940	0.9
79.05490	4.9
81.03407	19.2
81.07050	24.4
82.07383	1.5
83.01321	2.2
83.04970	2.5
83.08606	3.1
85.02895	42.8
85.06529	6.4
87.04435	1.2
91.05475	7.0
93.07030	10.6
94.07379	1.3
95.04957	5.2
95.08596	15.2
96.08949	1.3
97.02878	37.6
97.06524	3.3
97.10162	1.8
99.04441	13.2
99.05080	1.1
99.08093	2.3
101.06017	2.1
103.03958	0.8
103.05447	1.8
105.07005	10.2
107.04942	2.4
107.08581	11.7
109.02866	100.0
109.06534	3.4
109.10145	13.1
110.03190	0.9
110.10497	1.3
111.00755	1.0
111.04429	1.1
111.08070	3.5
115.03941	2.1
115.05421	1.4
117.07026	2.2
119.04925	1.9
119.08586	6.9
121.02860	3.2
121.06506	2.5
121.10129	8.5
122.03577	2.3
123.04408	1.9
123.08063	3.5
123.11691	9.1
125.05975	1.1
125.09629	1.5
127.03903	65.0
127.07557	1.8
129.06992	1.0
131.04912	5.4
131.08575	3.0
133.02834	1.5
133.04958	1.3
133.06523	1.7
133.10077	4.4
135.04390	1.5
135.08022	2.4
135.11661	4.2
137.02345	3.4
137.05957	28.1
137.09596	2.7
137.13277	2.7
139.03908	7.0
139.11201	2.1
143.08531	2.0
145.04935	18.5
145.06255	1.5
145.06474	1.4
145.08620	3.6
145.10120	3.7
147.04376	2.5
147.08017	2.1
147.11673	4.7
149.05965	2.4
149.09557	2.3
149.13246	3.9
149.55002	1.0
151.03906	1.9
151.07530	3.9
151.11140	1.0
153.01837	5.2
153.05363	2.2
156.07199	1.0
157.06468	0.9
157.10065	1.2
159.11684	2.0
159.36708	1.0
160.12000	1.0
161.05991	7.1
161.09613	1.5
161.13264	2.3
163.03955	1.6
163.07518	7.5
163.11212	2.7
163.14833	2.5
165.01834	1.8
165.05490	1.4
165.06955	1.5
165.09119	7.7
165.12770	1.2
167.07047	11.4
167.10658	1.5
167.14343	2.0
169.04935	11.9
173.05969	1.1
173.13171	1.3
175.07468	6.2
175.11179	1.1
175.14882	1.7
177.05475	2.1
177.09138	1.6
177.16431	1.9
178.16614	1.1
179.07053	1.6
181.04959	2.3
181.08623	4.9
183.04297	1.2
187.06012	12.7
187.07542	1.4
189.09053	1.9
189.12720	1.0
191.06984	1.9
191.10710	1.3
193.08640	1.8
195.10072	2.1
195.17329	1.0
196.10504	1.5
201.05428	1.6
201.16464	1.1
203.14278	1.4
205.07025	20.1
205.08827	1.5
207.08049	1.7
207.09901	1.2
207.13870	1.0
210.06725	1.1
215.10535	1.1
221.15298	1.9
225.09090	1.3
229.04932	4.2
231.10219	1.0
235.07626	1.0
237.09016	1.3
253.08801	1.7
257.04453	2.8
265.08521	2.0
267.09982	1.1
277.08578	1.6
279.26816	1.4
281.10333	1.0
283.09967	1.2
285.11060	4.4
291.10181	1.0
291.26730	4.0
294.08966	1.2
295.09875	1.5
297.11316	2.5
303.04953	86.2
304.05368	1.7
307.09598	1.6
307.26373	1.0
308.26553	2.4
309.11270	1.4
309.27737	3.0
311.12561	1.1
315.12375	1.4
327.29044	1.5
335.12875	2.0
339.12424	1.6
345.13321	1.2
357.13339	1.4
365.19742	1.2
447.17053	2.4
475.17010	1.8
477.19226	1.4
489.18896	2.7
507.19830	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	506.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.5
55.05503	6.9
57.07062	1.1
67.05500	14.0
69.03423	1.9
69.07066	8.2
69.07383	1.4
71.04646	1.2
71.04996	17.1
76.84506	1.1
79.05489	7.8
79.53921	1.0
81.07050	12.9
82.07397	1.3
82.13265	1.1
83.04990	2.2
83.08604	4.0
85.06535	1.3
91.05455	6.9
93.07034	17.1
95.01350	1.2
95.04966	2.2
95.08034	1.6
95.08600	15.7
96.08881	1.4
97.06535	2.9
97.10155	1.6
97.41896	1.3
99.08073	3.7
105.07022	13.2
106.07348	1.7
107.08585	24.2
108.08926	2.1
108.14651	1.1
109.06499	3.0
109.10137	17.3
110.10500	2.2
111.08070	3.9
117.07020	2.3
119.08584	21.5
120.08932	2.2
121.06472	2.1
121.10131	14.0
122.10480	1.4
123.08051	3.5
123.11697	7.2
125.09613	10.5
127.07546	1.2
127.11182	31.0
131.08546	7.4
133.10120	18.8
134.10477	1.2
134.81548	1.2
135.08038	8.4
135.11684	20.7
137.09634	3.4
137.13286	1.9
143.08571	2.8
145.10110	12.5
146.10493	1.1
147.11670	19.0
148.12033	1.4
149.09587	3.2
149.13292	6.0
153.09099	12.6
153.12749	1.8
155.10675	5.8
156.43414	1.3
157.10130	7.5
159.11684	27.8
160.11983	2.4
161.09615	3.6
161.13239	12.5
162.13580	1.8
163.11191	4.1
163.14789	2.6
165.12738	2.4
165.98453	1.3
171.11627	6.4
172.11996	1.5
173.09637	1.7
173.11865	2.0
173.13231	11.9
175.11182	6.6
175.14816	9.3
177.12770	2.3
177.16374	3.1
178.12808	1.1
179.14299	4.3
183.11620	2.7
184.07372	4.5
185.09663	1.2
185.13232	3.6
187.11134	3.3
187.14827	3.8
189.12692	2.7
189.16417	4.2
191.14311	3.7
193.15884	1.4
197.13211	2.3
199.14815	3.1
201.12718	2.2
201.16362	11.9
203.14299	2.3
203.17967	3.1
205.12218	1.4
207.17520	1.7
215.14311	1.2
215.17838	2.8
219.17412	31.5
221.18987	2.4
225.16396	2.0
230.14717	1.6
233.18959	2.5
239.20126	1.2
241.19476	1.2
243.17484	8.3
259.20471	2.4
260.20871	2.2
261.18466	15.8
262.18890	1.2
271.20483	2.6
289.21613	2.2
301.21619	1.2
331.22525	5.7
334.24570	1.9
367.26041	1.4
411.32492	3.9
424.32794	3.1
425.34674	1.4
429.33655	43.6
435.32608	3.5
442.33945	5.6
452.32214	5.5
453.33691	13.6
470.33420	22.7
471.34698	100.0
472.35022	3.0
488.34326	3.2
489.35709	97.5
490.35968	3.4
506.35471	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01846	0.7
55.05500	5.7
55.05747	0.5
57.03436	1.3
57.07078	0.8
65.03920	0.4
67.05492	7.7
69.03414	0.9
69.07058	13.6
71.01341	0.4
71.53617	0.5
73.02901	0.8
79.05482	4.2
79.05901	0.4
80.68376	0.3
81.07047	6.2
83.08605	6.0
83.30347	0.3
85.02892	2.8
87.76475	0.3
90.07071	0.3
91.05453	2.7
93.07031	13.7
94.34593	0.3
95.08593	93.1
96.08945	0.7
97.02882	1.5
97.10167	1.2
105.07013	4.1
107.08580	30.7
109.06506	0.7
109.10143	15.8
115.03930	1.0
119.08577	1.1
121.10126	56.0
122.10955	2.1
123.08047	1.0
123.11690	1.7
127.03831	0.8
132.06548	0.3
133.04962	1.8
133.10143	0.8
135.11676	8.5
137.05937	0.4
145.04950	1.1
147.04349	0.3
149.13231	5.4
150.07600	1.0
163.05989	0.7
165.09106	0.6
166.09534	0.4
177.16360	100.0
178.16765	0.9
184.32512	0.3
186.40077	0.3
260.08432	0.4
295.10156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01857	0.4
55.05504	0.6
57.33820	0.4
59.04995	0.5
67.05477	1.2
69.03423	2.8
69.07069	0.4
69.98895	0.7
69.99300	1.6
70.06567	0.5
71.04984	31.3
76.07619	0.5
79.05491	0.7
81.03404	2.7
81.07034	0.5
85.02894	2.2
85.06528	4.8
91.05476	0.5
93.07056	1.1
95.04954	1.6
95.08589	0.9
97.02879	3.3
99.04471	0.8
100.07620	2.3
103.07549	0.6
105.06995	0.7
107.07935	0.4
107.08589	0.8
109.02871	2.2
109.10064	0.5
111.04414	0.4
113.05994	4.8
115.03867	0.4
118.08635	3.0
119.08541	0.7
122.05919	0.4
123.08043	0.4
127.03893	2.5
127.07534	14.3
131.07034	6.6
135.11603	0.7
137.05954	1.1
137.09581	0.4
141.05423	0.5
145.04990	2.1
145.08580	100.0
146.08936	0.8
151.03868	0.6
151.07527	0.6
155.06979	0.8
165.09125	0.4
167.07040	1.2
168.07335	0.6
173.08080	2.6
187.05960	0.6
191.09123	9.0
191.10783	0.6
211.09804	0.4
212.17256	0.5
217.46445	0.4
257.10165	1.3
275.11179	0.8
299.11139	0.7
303.04825	1.9
317.12354	1.4
335.13260	1.2
343.01694	0.4
420.10461	0.4
489.02896	0.4
506.19699	0.6
506.27722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01860	4.4
55.37617	0.4
57.03426	8.5
59.04975	1.0
60.04501	0.9
61.02922	3.2
65.03918	0.8
67.05483	0.7
69.03417	9.7
70.97119	1.1
70.97460	0.6
71.01334	2.5
71.04952	1.2
72.04498	0.6
72.12897	0.4
73.02488	0.7
73.02900	11.4
79.05460	1.4
81.03388	2.0
81.07035	0.9
85.02887	21.1
87.04458	1.3
91.03938	0.7
91.05479	1.4
92.77132	0.6
95.08578	1.1
97.02277	1.1
97.02870	13.5
99.04418	1.0
101.05943	0.6
103.03917	1.2
103.04854	0.7
103.05447	6.4
105.06995	3.1
105.58546	0.5
107.04930	9.8
107.08547	1.3
109.02847	1.4
110.09645	0.5
111.04414	0.9
114.89803	0.4
115.03905	9.4
115.05416	0.7
119.04892	0.5
120.05747	0.7
121.06464	1.4
121.10168	0.5
123.11706	0.6
126.05444	0.6
127.03908	6.1
131.04916	2.3
131.08574	0.5
132.06575	1.3
133.04942	10.4
133.10094	0.8
134.58551	0.5
135.08023	7.0
137.05948	2.0
139.03893	3.0
144.06538	1.5
145.04922	6.7
145.06070	0.7
145.06528	0.7
145.08556	0.8
148.05193	0.7
150.07631	2.6
151.03871	1.4
154.06213	39.2
155.06586	0.5
162.07599	2.0
163.06061	2.8
163.07498	29.3
165.05598	0.6
166.08606	1.2
167.07036	1.8
180.06477	0.5
180.07805	2.3
180.08977	0.5
189.12514	0.5
195.10129	100.0
196.10435	1.6
199.05855	0.7
223.05894	0.9
241.06998	0.8
259.08160	1.6
273.11078	0.8
275.51483	0.5
281.97925	0.5
294.11670	0.7
303.04788	2.8
309.11380	0.6
317.06363	0.6
327.12271	1.4
329.82953	0.5
330.14420	1.0
342.14392	3.9
360.15811	0.5
456.82248	0.5
506.18942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01853	1.4
55.05502	9.1
57.07069	20.7
64.97646	0.9
66.52791	0.9
67.05162	1.3
67.05495	17.7
69.07060	7.6
69.36370	2.3
69.36788	5.8
71.04974	1.0
71.08623	15.1
75.18875	0.9
79.05479	9.1
81.03407	49.2
81.07047	18.1
83.04961	2.1
83.08605	16.7
85.10172	7.3
91.05466	10.5
93.07027	6.5
95.04949	11.3
95.08598	17.5
97.06540	1.3
97.10136	5.2
98.21532	1.8
105.07027	8.5
107.04938	2.9
107.08561	2.1
109.06458	1.3
109.10135	8.0
111.08052	2.2
111.11749	1.1
114.31070	0.9
117.07037	1.0
119.08591	5.3
121.06488	1.7
121.10107	2.2
123.11707	4.2
128.06239	1.0
129.06989	5.4
131.08546	4.6
133.06471	3.0
133.10109	2.3
135.11615	1.0
137.09589	0.9
137.13237	2.4
142.07756	1.7
147.08002	1.7
147.11617	3.7
149.09627	2.3
149.13245	1.0
157.10095	4.6
175.11128	5.4
176.79486	0.8
193.12218	24.7
239.23674	6.9
249.14885	5.7
266.15012	0.9
345.86743	0.9
445.20200	2.9
446.20630	1.8
505.22443	9.0
505.38828	100.0
506.22540	2.1
506.39114	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61084	0.7
53.03947	4.2
55.01853	2.4
55.05503	15.1
57.03421	2.0
57.07068	37.6
57.55638	0.7
61.53518	0.8
65.03926	1.3
65.78748	0.7
67.05495	29.5
69.03416	2.3
69.06708	1.3
69.07056	14.4
71.04980	1.5
71.08224	1.3
71.08621	24.7
71.36565	1.4
73.30326	0.7
79.05481	16.1
80.05898	0.6
81.03407	81.3
81.07047	31.3
83.04972	4.2
83.08606	26.6
85.06551	0.9
85.10168	14.9
91.05470	18.5
93.07033	10.2
95.04957	20.7
95.08592	25.8
97.02883	2.1
97.06550	1.3
97.10161	9.7
103.15697	0.7
105.07014	11.3
107.04949	5.0
107.08576	6.3
109.06493	1.7
109.10139	9.4
111.04449	1.1
111.08073	6.1
111.11720	1.8
115.05459	0.8
117.07008	2.2
119.04959	1.1
119.08563	10.7
121.06509	1.7
121.10109	5.8
123.08034	1.6
123.11677	3.4
125.09628	1.4
125.13324	0.7
129.06990	6.5
131.08548	6.5
133.06483	2.1
133.10118	4.7
135.11717	1.6
137.09641	1.4
137.13246	2.1
142.07777	2.3
145.10127	1.6
147.08022	2.5
147.11661	4.4
149.09622	3.7
149.13254	2.0
157.10130	7.9
159.11662	0.9
163.11148	0.8
165.12718	0.8
175.11183	6.4
185.13327	1.1
193.12202	19.6
220.27173	0.7
237.22119	1.4
239.23711	6.2
249.14780	3.9
329.20688	0.7
505.38879	100.0
506.39578	3.4
513.07727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3515
Annotation	Myrianthic acid
Peak:m/z	Relative Intensity
51.13348	4.7
55.05496	29.8
56.08792	4.8
57.03429	7.4
57.07067	8.7
59.04999	8.9
59.36743	4.7
60.35597	5.2
63.17864	4.8
65.03928	6.4
65.55779	4.8
67.05154	9.0
67.05492	88.0
69.07052	24.9
69.27716	28.6
69.28151	30.6
70.83154	4.8
71.04983	34.4
73.06514	5.2
79.05495	36.5
81.03396	9.8
81.07043	75.6
83.04979	9.9
83.08608	19.4
91.05448	35.6
93.07021	67.8
95.04978	13.4
95.08598	73.6
97.06505	21.8
101.06045	5.9
105.07010	49.2
107.04956	9.1
107.08580	85.2
109.06517	10.4
109.10139	86.1
110.15884	5.1
111.08064	13.0
117.07030	16.8
119.08566	92.6
121.06470	14.4
121.10115	65.4
123.08047	21.8
123.11693	27.4
125.05955	9.0
125.09594	20.7
127.11176	33.8
129.07005	7.0
131.08595	30.4
133.10104	68.0
135.08052	13.1
135.11687	48.7
137.05959	8.7
137.09604	18.5
137.13240	10.4
139.07443	5.9
139.11171	5.4
143.08553	14.5
144.09314	5.9
145.10092	52.5
147.11678	44.3
148.06125	4.9
149.09593	16.0
149.13246	17.7
151.07507	10.1
151.11166	14.9
153.12744	31.6
155.10590	8.4
156.09308	5.8
157.10106	18.4
159.11662	48.7
161.09628	13.8
161.13196	35.6
163.11166	24.2
163.14941	5.4
165.09120	6.2
165.12726	7.9
169.10059	9.2
171.11670	22.7
173.09612	9.5
173.11732	13.5
173.13255	30.3
175.11188	11.9
175.14815	23.7
177.12717	14.1
179.14275	10.7
181.12222	23.9
183.11720	10.3
185.13225	15.1
187.11180	5.6
187.14825	28.1
189.12782	13.4
189.16341	15.8
191.14319	21.9
197.13272	14.2
199.14835	20.4
201.12704	7.8
201.16409	23.6
203.14317	12.7
205.15919	15.0
207.13750	5.6
209.13225	6.1
211.14830	7.3
213.16252	12.6
215.14362	10.6
217.15900	12.2
219.17418	15.8
229.14339	19.1
231.17426	9.1
233.02708	6.2
237.16313	5.7
241.15974	9.2
241.19441	9.5
245.18919	11.5
251.16457	20.2
259.20587	19.3
261.18015	7.2
269.18802	6.8
271.20529	10.3
272.53244	5.5
284.65109	5.5
287.20221	6.6
291.19580	7.2
305.21002	37.3
313.10593	9.3
327.19595	9.1
333.24152	14.7
395.73547	5.8
409.30621	8.0
415.28903	6.0
423.32617	26.2
433.31009	18.4
441.33701	17.8
451.31891	42.4
452.32401	7.6
469.33148	100.0
487.33566	27.8
505.34695	33.0
528.67755	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	505.3525
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.05495	25.2
57.07051	6.8
65.09443	3.8
65.67938	4.2
67.05491	39.0
69.03399	6.3
69.07053	29.7
71.02096	11.6
71.05000	8.8
79.05470	30.7
81.03402	10.0
81.07046	75.0
82.16827	3.9
83.04964	13.8
83.08602	12.5
85.02888	6.2
87.04496	4.0
91.05453	28.1
93.07031	62.0
95.04924	21.5
95.08037	6.8
95.08593	83.9
96.08935	6.5
97.06548	9.1
97.10151	7.7
99.08041	8.0
101.89288	4.1
103.05396	5.3
105.07014	65.7
106.07352	5.5
107.04928	8.0
107.08563	67.4
108.08923	5.6
109.06490	12.6
109.10130	46.6
109.66578	4.7
111.08063	9.5
112.95882	3.7
117.06980	13.2
118.76135	4.3
119.08562	98.5
120.08862	3.8
121.06482	8.2
121.10123	53.4
123.08041	12.3
123.11684	21.9
125.09604	12.5
127.11179	4.1
127.85585	3.9
129.06992	10.3
130.63867	4.3
131.08551	54.0
132.08957	5.3
133.10103	65.2
135.07999	10.0
135.11665	25.3
137.05954	15.2
137.09584	8.9
139.07545	4.6
143.08537	17.1
145.10088	68.7
146.10529	6.0
147.04454	4.9
147.08043	8.4
147.11664	56.8
149.09612	11.3
149.13222	16.1
151.07489	7.0
151.11177	4.4
157.10088	18.2
159.11668	44.7
161.09566	16.0
161.13239	31.6
163.11171	10.9
163.14792	25.0
165.09100	20.0
165.12689	7.4
169.10083	6.1
170.10767	8.8
171.11693	20.6
173.13242	62.7
175.11200	5.2
175.14813	40.6
176.15126	6.2
177.12749	7.9
177.16368	24.3
183.10167	5.0
183.11646	7.7
185.13197	29.0
187.14789	100.0
188.15141	8.6
189.12741	5.2
189.16379	36.4
191.10646	4.4
191.14270	30.9
191.17944	11.6
193.15891	6.6
197.13275	9.2
199.14780	22.7
201.12738	4.7
201.16367	73.8
203.14240	24.0
203.17929	52.1
205.15840	54.4
207.17325	5.6
209.15303	14.9
211.14830	7.5
213.16347	17.7
214.97879	4.6
215.14294	7.0
215.18056	9.9
217.12309	5.5
217.15903	10.8
219.13722	10.9
219.17397	12.9
221.15332	14.0
223.16829	7.0
231.13918	4.5
231.17404	6.3
233.18764	4.8
247.16852	7.7
261.29019	4.5
393.31613	6.3
405.31430	21.6
407.32822	9.8
421.30887	8.8
423.32565	32.4
425.34262	4.9
433.31097	6.5
439.31827	13.3
441.33078	13.6
451.04910	4.9
451.32178	34.9
459.33624	15.7
469.33261	33.2
487.33554	13.8
505.26974	18.9
505.34390	10.4
506.28357	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3513
Annotation	11alpha-hydroxyasiatic acid
Peak:m/z	Relative Intensity
52.17439	1.4
55.05501	8.1
57.03435	1.7
57.07044	1.8
59.04986	2.5
62.85843	1.4
67.05505	7.8
69.03407	1.5
69.07043	5.3
69.48230	12.9
71.04986	21.1
71.06458	1.4
79.05477	8.4
79.63875	1.4
81.07040	24.4
83.04941	2.3
83.08609	4.6
91.05460	6.9
93.07024	32.5
95.04955	5.6
95.08591	26.2
97.06517	3.9
97.10151	2.1
99.04408	3.3
105.07026	12.8
107.08574	37.6
109.06501	4.9
109.10142	13.0
111.08057	5.5
117.07035	2.9
119.08565	20.2
121.06480	3.2
121.10117	23.7
123.00014	1.6
123.08047	4.8
123.11688	6.3
125.09615	6.7
127.11158	10.2
130.07719	2.4
131.08559	7.1
133.10104	17.3
134.12627	1.6
135.08063	2.5
135.11658	23.7
137.09615	4.2
137.13229	7.3
139.07581	1.6
139.11176	1.9
143.08533	3.6
145.10092	26.3
147.11626	15.7
149.09592	4.7
149.13248	2.7
153.12712	17.4
157.10089	5.0
159.11647	16.7
161.09593	3.3
161.13252	6.6
163.11140	12.1
165.12717	9.5
169.10091	3.2
171.11623	9.2
173.09651	2.9
173.13225	14.3
175.11182	3.8
175.14821	5.3
177.12727	1.8
181.12209	20.1
183.11658	4.9
185.13255	6.7
187.11163	2.9
187.14786	7.8
189.12723	3.4
189.16359	3.1
191.14250	2.3
193.10306	1.6
197.11610	2.1
197.13284	4.3
199.11447	1.7
199.13216	19.9
199.14743	2.5
201.12726	2.4
201.16391	2.1
203.14220	2.9
205.15784	2.3
207.13773	2.6
209.13284	2.2
211.14815	3.2
213.12714	1.8
213.16235	8.2
215.17876	3.7
227.17982	4.6
229.15907	2.5
229.19501	12.9
231.17381	6.9
237.16522	1.8
243.21101	6.9
245.18895	2.8
247.16922	2.4
247.20602	2.2
253.19473	2.1
257.18927	2.2
269.19083	2.6
271.20547	10.3
289.21707	9.1
291.19434	2.1
305.21103	2.4
307.22632	11.1
335.23627	2.2
363.27014	1.8
393.27881	2.1
405.31467	2.3
409.31079	2.7
415.29922	3.4
423.32544	2.7
427.31949	2.8
433.31039	12.2
441.33270	2.5
445.29514	1.7
451.32037	34.6
452.32471	2.1
469.33121	43.1
487.34167	20.9
505.35156	100.0
506.35892	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	505.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01854	3.8
55.05500	19.5
57.03421	3.8
57.07059	7.4
59.04990	3.0
61.02912	2.6
61.14306	1.5
65.03938	1.8
67.05493	34.3
69.03414	15.2
69.07059	49.5
70.06542	6.4
70.06973	5.0
71.04964	7.5
71.08628	2.8
73.02900	2.1
73.06552	2.8
79.05481	26.5
81.03396	7.4
81.07046	100.0
83.04958	5.5
83.08614	18.5
85.02412	2.4
85.02892	24.7
85.06512	6.2
91.05461	17.8
92.05793	1.6
93.07032	56.1
95.04951	7.9
95.08591	99.3
97.02865	8.5
97.06528	9.4
97.10149	12.1
97.17401	1.8
99.04414	3.5
99.08067	4.9
101.05997	6.5
103.05499	1.9
105.07014	34.6
107.04957	2.0
107.08580	49.0
109.02872	5.1
109.06498	7.2
109.10136	57.7
111.08061	8.8
111.11729	9.9
117.07018	4.0
119.08573	33.8
121.06507	5.4
121.10121	40.3
123.08051	5.0
123.11700	37.3
125.09609	6.3
125.13244	5.1
127.03892	7.8
127.23986	1.7
131.08521	11.9
133.10123	32.2
134.10396	1.8
135.07979	3.2
135.11676	31.4
137.05934	13.4
137.09586	16.6
137.13246	13.3
139.11140	19.4
141.09048	2.0
145.04967	3.4
145.10095	16.4
147.07927	1.8
147.11667	31.0
149.13251	25.5
151.03902	26.8
151.07501	2.1
151.11162	6.9
151.14795	5.8
153.12691	5.3
155.10608	13.2
156.09163	1.8
157.10135	2.2
159.11687	18.1
160.58717	1.6
161.06032	3.1
161.09587	4.3
161.13217	21.5
163.07524	3.0
163.11102	4.1
163.14787	16.3
165.09065	4.5
165.12738	14.9
167.07019	4.3
169.12202	3.9
173.13306	9.3
175.14799	17.5
177.16321	10.5
179.14299	5.3
181.08583	1.9
183.13815	4.8
187.14877	9.3
189.12782	2.1
189.16359	14.1
191.14279	2.4
191.17912	3.0
193.15913	3.7
201.16397	9.0
203.17841	4.8
205.19484	2.3
207.17465	9.1
211.16884	4.0
215.17944	16.0
217.12283	2.2
225.18500	6.0
229.14099	1.9
229.19556	2.1
231.21188	1.8
233.18982	6.9
251.20006	2.0
259.11765	2.8
265.25192	3.4
271.24167	37.7
277.25174	7.7
289.25211	34.1
296.16367	1.9
307.26245	31.1
321.11166	2.2
325.27295	8.4
343.15399	6.9
343.28238	1.8
505.19803	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	505.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99045	1.6
53.03925	2.5
55.01859	2.7
55.05499	16.6
57.03421	6.5
57.07067	4.9
59.04973	2.1
61.02916	2.1
65.03934	2.3
67.05494	28.7
69.03415	11.3
69.07059	35.6
71.04983	8.5
71.08622	3.4
71.62576	3.3
73.02888	1.9
79.05478	27.7
81.03392	8.2
81.07044	100.0
81.13637	1.5
83.04962	10.8
83.08610	12.8
85.02887	16.4
85.06532	7.5
91.05457	18.8
93.07031	45.1
95.04940	10.7
95.08595	73.4
96.08968	1.7
97.02884	8.1
97.06509	10.9
97.10166	5.4
99.04451	2.6
99.08089	4.7
101.05956	2.1
101.24863	1.6
103.05475	4.6
105.07020	26.8
107.04938	3.9
107.08582	39.9
108.02020	2.1
109.02872	4.7
109.06494	8.8
109.10136	72.4
111.04432	3.0
111.08066	8.0
111.11707	5.9
113.06017	3.3
115.07491	3.1
117.06984	4.4
119.04934	2.1
119.08554	28.9
121.06492	6.6
121.10128	32.5
123.04453	1.7
123.08064	5.0
123.11684	26.1
125.05931	1.8
125.09602	3.2
125.13252	2.3
127.03905	5.6
127.07540	4.7
129.07071	2.0
131.04886	9.3
131.08554	5.6
133.06503	3.9
133.10106	20.6
135.08032	3.6
135.11676	47.7
137.05956	13.2
137.09590	12.1
137.13239	22.4
139.07483	2.4
139.11166	5.9
141.05443	2.2
145.04913	2.0
145.08572	1.7
145.10095	10.0
147.08054	2.2
147.11670	18.9
149.13229	12.2
151.03886	57.6
151.04964	2.8
151.07472	4.7
151.11165	6.6
151.14825	5.1
153.05447	2.2
153.12686	10.2
155.10675	4.7
155.14287	2.6
157.10155	2.3
159.07924	1.9
159.11673	8.3
161.05969	3.4
161.09619	3.6
161.13266	9.2
163.07545	5.4
163.11166	6.4
163.14812	6.9
165.09096	28.6
165.12729	8.2
167.07007	10.3
169.12244	2.1
171.11621	3.4
171.13794	4.3
173.13252	5.9
175.07494	3.9
175.11139	3.1
175.14806	9.2
177.09061	3.5
177.16351	3.9
179.03383	5.9
179.07019	2.2
179.14226	1.7
181.12221	5.3
183.13786	2.3
187.14793	3.9
189.12752	2.9
189.16377	4.3
191.10634	2.1
193.08572	1.7
193.12184	1.8
193.15898	3.3
195.10115	9.1
197.15437	2.4
199.07507	1.8
199.13364	1.6
199.93842	1.7
201.16344	4.4
203.17944	2.1
205.12178	3.0
205.19466	1.8
207.13695	2.0
209.11609	2.2
215.18013	4.0
221.08083	3.2
260.11414	2.7
271.24152	11.2
277.25229	3.8
279.08646	5.1
289.25183	16.9
295.26321	2.0
307.26285	16.4
325.27328	6.3
343.15430	7.8
344.15936	1.7
506.19485	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05232	1.5
53.03935	4.6
55.01861	5.7
55.05504	19.9
57.03425	7.1
57.07071	8.3
59.04986	4.1
61.02904	3.2
64.21415	1.3
65.03934	1.4
67.05495	31.3
69.03423	17.3
69.07059	51.1
69.90480	4.7
69.90897	4.1
71.01341	2.0
71.04986	10.8
71.08601	3.2
73.02905	7.9
78.79971	1.2
79.05479	19.5
81.03394	8.5
81.07048	100.0
82.52394	1.3
83.04972	9.3
83.08610	20.5
83.46508	1.5
85.02892	28.5
85.06537	7.8
85.10142	2.3
86.42941	1.5
87.04447	4.4
91.05469	20.2
93.07034	68.8
95.04959	24.4
95.08598	75.4
96.08964	2.2
97.02873	15.3
97.06522	18.8
97.10154	5.7
99.04441	5.3
99.08081	3.9
103.05457	1.9
105.07018	30.1
107.04940	4.0
107.08584	49.5
109.02847	6.9
109.06508	14.9
109.10143	52.7
109.91446	1.6
111.08071	13.7
111.11687	6.8
113.06023	1.5
115.03933	5.5
115.05448	1.6
115.07587	2.6
117.07002	4.6
119.08571	26.8
121.02831	2.2
121.06498	9.5
121.10130	40.3
123.04465	2.1
123.08082	9.3
123.11691	48.3
125.05944	5.4
125.09614	5.4
127.03886	9.6
127.07551	4.3
129.05452	1.8
129.06990	2.9
131.04866	2.6
131.08557	9.2
133.04953	6.1
133.06496	3.5
133.10118	25.5
135.08049	4.9
135.11664	45.1
136.12019	2.3
137.05968	15.3
137.09581	10.8
137.13243	19.9
139.07507	2.1
139.11176	6.8
141.12683	3.9
143.07240	1.3
143.08566	5.1
145.04958	4.9
145.06438	2.6
145.10109	18.6
147.04384	2.2
147.08107	3.0
147.11652	16.3
149.05962	2.0
149.09616	6.2
149.13243	25.9
151.03909	5.0
151.07539	4.4
151.11174	18.5
151.14807	3.6
153.12764	10.7
155.10635	8.0
155.14392	1.7
157.08751	1.9
157.10068	3.3
159.08052	2.0
159.11659	10.4
161.05934	3.3
161.09575	1.9
161.13242	9.3
163.06068	1.8
163.07523	3.9
163.11134	16.7
163.14832	5.2
165.09100	24.6
165.12737	3.8
165.16434	2.2
167.06999	5.5
167.14336	2.2
169.10051	2.2
169.12213	5.7
171.11646	3.2
171.13783	1.5
173.09618	3.2
173.13260	5.2
175.07527	2.1
175.11200	2.8
175.14793	22.1
177.09090	5.3
177.16324	4.5
179.14207	2.1
181.05032	2.4
181.08664	2.2
181.12207	13.0
187.11165	5.6
187.14780	3.9
189.09103	2.0
189.12666	2.5
189.16389	4.5
191.06943	2.2
191.10692	3.0
191.14326	2.0
191.17964	3.9
193.12346	1.8
193.15858	18.3
195.13992	1.8
197.13434	2.0
199.13208	2.1
201.16408	2.6
203.10544	2.0
203.18042	2.7
205.12207	6.2
205.15833	2.0
207.13860	2.2
211.16904	96.7
212.17189	3.6
215.10628	4.4
215.17886	5.0
216.35098	1.7
217.12215	3.3
231.21002	1.6
233.11639	4.3
233.19080	3.4
235.13289	3.9
245.22786	1.4
251.12650	3.3
251.20078	4.1
253.14256	3.3
259.07913	1.9
271.13776	1.5
271.24182	5.9
277.25156	3.1
279.08597	1.9
289.25220	12.6
295.26196	4.9
297.11179	2.7
304.10159	1.7
307.09637	1.9
307.26279	17.4
309.11139	2.6
323.12720	2.2
325.27145	7.1
359.15018	1.7
377.15942	2.0
392.92200	1.8
395.17068	4.7
413.18341	1.5
461.73630	1.6
505.17053	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.7
55.05502	3.1
57.03431	4.9
57.07042	0.8
59.04989	0.7
61.02899	1.5
66.77094	0.7
67.05484	2.6
69.03427	5.5
69.07040	2.3
69.95438	2.6
69.95847	1.4
70.06577	1.4
71.01333	0.9
71.04971	2.3
73.02909	6.1
79.05474	2.7
81.03393	1.9
81.07049	11.1
83.04933	0.9
83.08597	1.7
84.04485	1.9
84.66407	0.7
85.02894	12.1
85.06525	1.2
87.04430	0.7
91.05467	5.3
93.07026	7.2
95.04970	1.6
95.08596	13.6
97.02889	7.0
97.06513	0.8
99.04445	1.5
99.08096	4.4
103.05479	1.0
105.06382	0.9
105.07021	12.4
107.04890	0.7
107.08581	10.4
109.02850	2.1
109.06517	0.9
109.10130	2.8
111.08025	0.8
113.09637	1.8
114.05576	0.8
115.03869	3.5
115.45457	0.6
117.07043	1.2
118.15385	0.7
119.08566	37.6
121.06471	0.9
121.10114	1.8
123.11674	2.5
127.03926	3.3
131.04886	1.0
131.08560	2.5
133.04953	4.7
133.10112	47.0
135.11679	10.7
137.05966	4.7
137.09589	1.6
142.04976	0.9
145.04929	2.9
147.11659	3.2
149.05927	0.7
149.13208	0.8
151.03874	2.7
151.07486	0.8
153.01817	2.4
159.11699	1.0
161.05920	1.2
163.03885	0.7
163.06032	0.7
163.07449	1.6
165.09174	0.8
167.07002	1.5
175.07541	0.9
175.14799	100.0
184.09746	1.4
185.09993	0.9
193.15857	14.2
211.16914	15.6
218.54907	0.7
219.10120	0.7
241.07162	1.0
259.11066	1.5
260.11316	1.1
343.12006	1.0
461.21237	2.3
505.18796	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2636
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
53.03927	0.8
55.01865	3.2
55.05491	2.4
57.03427	5.6
57.07055	1.0
61.02905	1.9
65.60426	0.6
67.05473	2.1
69.03416	6.4
69.07046	3.1
69.34499	6.6
70.06590	0.8
71.01328	1.0
71.04968	1.8
73.02898	5.6
79.05475	3.1
81.03387	2.3
81.07038	9.6
83.04965	0.7
83.08580	1.6
84.04487	1.9
85.02441	0.4
85.02889	11.9
85.06520	1.4
87.04442	1.1
91.05459	5.0
93.07030	6.2
95.04939	1.9
95.08588	13.8
97.02864	7.7
97.06521	0.9
98.21484	1.4
99.04423	1.3
99.08096	3.9
100.85551	0.6
102.62717	0.6
103.05408	0.9
105.07008	10.4
107.04912	1.0
107.08576	7.3
109.02830	1.7
109.10130	3.5
112.07561	0.8
113.09601	1.3
114.05499	0.8
115.03922	3.1
115.77318	0.5
117.06937	0.6
119.08562	39.0
120.08904	0.6
121.10117	1.9
123.04370	0.7
123.08058	1.1
123.11668	2.8
127.03917	2.8
127.07513	0.7
130.04956	0.7
131.04877	1.0
131.08540	1.7
133.04941	4.1
133.10106	47.6
135.07957	0.9
135.11674	9.7
137.05954	4.1
137.09592	1.4
142.05014	0.9
145.04984	3.6
145.08540	0.8
145.10126	1.0
147.04453	0.8
147.11699	3.3
149.13237	0.8
151.03880	3.1
151.07449	1.1
153.01794	2.5
153.12694	1.1
155.14301	0.8
157.06473	0.7
163.03905	0.6
163.06021	0.8
163.07527	1.6
165.09105	0.7
167.07047	1.6
173.13283	0.8
175.14796	100.0
175.55110	0.6
176.15085	1.5
179.07141	0.6
181.04849	0.8
184.09604	1.4
193.04935	0.6
193.15848	15.7
208.09937	0.6
209.66602	0.6
211.16905	16.4
241.07233	0.6
259.11099	0.7
260.11295	1.6
327.74039	0.6
461.21396	2.0
473.15857	0.8
505.19101	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	505.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05781	1.6
50.74417	1.7
51.02379	2.1
52.11480	1.7
53.03933	7.6
54.86118	1.6
55.01860	6.5
55.05502	55.5
55.60713	1.9
57.03411	5.6
57.07067	3.1
58.68884	1.6
61.02922	3.2
65.03902	2.7
65.75488	1.7
67.05489	18.7
69.03065	3.6
69.03416	44.1
69.07053	20.8
71.04985	17.1
71.62060	2.0
71.62463	2.0
73.02888	4.5
73.06544	80.8
79.05486	22.9
81.03402	37.7
81.07043	48.6
83.04969	16.0
83.08596	3.5
85.02893	51.2
85.06528	7.4
87.04471	4.2
91.05470	21.3
93.07030	47.5
95.04967	12.0
95.08589	38.9
97.02879	88.7
97.06519	18.8
99.04433	28.8
99.08066	3.3
101.02333	4.0
101.06002	100.0
103.03909	5.1
103.05451	4.6
105.06375	2.6
105.07014	30.4
107.04935	5.9
107.08581	35.0
107.69747	1.8
109.02858	19.5
109.06503	16.0
109.10136	22.4
111.04396	2.5
111.08066	15.0
113.09651	2.4
115.03913	2.4
115.07561	10.2
117.05476	2.8
117.06988	5.2
119.04928	2.2
119.08574	30.3
121.06496	22.6
121.10111	20.3
122.03623	6.7
123.04408	3.8
123.08045	5.4
123.11691	14.4
125.05970	11.5
125.09564	3.9
127.03905	57.3
127.07545	8.5
128.06294	2.0
129.05452	2.3
129.06897	2.6
131.04915	9.6
131.07025	3.3
131.08545	6.6
133.06470	3.9
133.10115	18.1
135.04340	2.3
135.08029	15.2
135.11696	11.3
137.05956	82.5
137.09590	10.6
137.13196	6.1
139.07510	7.2
139.11125	6.2
141.09064	5.0
142.07852	3.8
143.07034	14.1
143.08510	6.8
145.04979	12.6
145.08565	9.2
145.10097	10.0
146.08861	3.3
147.04381	2.8
147.08040	3.9
147.11659	36.1
149.09616	4.5
149.13208	10.1
151.03896	7.6
151.07515	10.8
151.11163	4.7
153.01765	2.0
153.09132	4.0
153.12767	5.0
155.07025	2.8
156.09294	2.6
157.08589	8.6
157.10100	7.9
159.08078	2.9
159.11705	6.0
161.05951	10.7
161.09581	2.6
161.13242	8.3
163.07520	12.4
163.11186	3.6
163.14799	5.2
165.09091	51.8
165.12692	13.7
167.07034	10.0
167.08420	2.6
169.08612	12.4
169.12195	9.3
171.11658	8.1
173.09642	4.9
173.13258	3.4
175.07536	8.5
175.11151	14.6
175.14787	8.5
177.08992	2.5
177.16321	3.1
181.04860	2.0
181.08537	11.7
187.05971	11.3
187.07457	3.7
189.09039	4.7
189.12686	12.7
191.07016	2.3
191.10626	2.0
191.14322	2.4
193.12234	14.6
193.15929	2.0
199.09610	19.6
199.11220	8.5
205.12224	3.6
207.13800	7.3
211.13274	13.3
211.16985	2.9
217.10600	6.3
217.12334	31.6
229.14319	6.3
235.13281	36.7
237.09186	2.8
253.14291	17.4
259.11728	43.1
259.23904	2.0
271.24051	4.0
277.12793	18.6
279.05127	1.6
279.09692	1.7
289.25143	5.8
297.11148	2.3
298.12115	2.0
299.12823	2.8
307.26266	6.4
325.14380	3.0
325.27448	4.9
337.14197	3.9
351.15921	2.0
415.28003	2.2
442.83926	2.2
454.38736	1.9
455.19376	1.9
487.20624	3.9
487.31036	3.4
505.22015	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.1
51.03444	1.4
53.03930	2.1
55.01862	4.5
55.05505	10.0
57.03421	4.6
57.07055	4.2
59.04978	3.1
61.12723	1.3
61.51920	1.4
65.03938	2.5
67.05491	12.9
69.03416	36.4
69.07056	21.6
70.06586	4.6
70.07000	4.6
70.90683	1.3
71.01316	1.6
71.04980	7.0
71.08612	1.5
73.02896	3.9
73.09479	1.5
77.03914	1.6
79.05482	12.3
81.03401	3.2
81.07044	44.1
83.04968	5.6
83.08585	8.8
85.02892	19.5
85.06502	3.8
91.05464	15.5
92.70377	1.4
93.07027	25.6
95.04958	18.6
95.08043	2.7
95.08603	34.8
97.02921	7.6
97.06508	6.6
97.10168	3.7
98.20737	1.7
99.04471	3.0
99.08070	2.5
101.06010	2.1
103.05453	44.3
105.07022	23.7
107.04968	8.0
107.08579	25.6
109.02861	4.7
109.06503	6.3
109.10147	27.8
111.04421	10.8
111.08038	5.1
111.11711	4.8
115.03886	3.5
115.05447	5.6
116.07110	1.6
117.07022	6.3
119.04922	5.7
119.08569	14.8
121.06508	7.0
121.10134	16.5
122.03656	2.7
123.08086	3.6
123.11687	22.1
125.05951	1.8
125.09621	1.8
125.13245	1.6
126.12807	2.3
127.03899	6.8
127.61301	1.8
129.05499	1.9
129.06995	3.4
130.04103	3.5
131.04907	100.0
131.08566	6.2
133.02852	4.3
133.04970	3.4
133.06476	9.0
133.10114	28.2
135.04381	3.2
135.08063	3.4
135.11693	12.6
137.04991	2.6
137.05971	37.1
137.09589	13.3
137.13228	6.8
139.11156	7.1
141.12781	1.5
143.03502	1.7
143.04887	3.7
143.08525	2.4
145.04922	2.0
145.06427	8.3
145.10127	7.3
147.04401	18.7
147.08037	3.8
147.11668	10.4
149.05983	8.6
149.13225	10.0
150.06744	6.9
151.03894	4.8
151.07542	11.5
151.11172	2.4
153.01781	8.5
153.05441	4.5
153.12733	7.0
154.06252	3.7
155.10663	3.7
157.06572	2.9
159.08020	2.8
159.11664	5.7
160.05173	2.0
161.05934	17.4
161.09590	1.7
161.13292	7.4
162.06728	13.9
163.03918	2.9
163.06093	3.1
163.07526	57.7
163.11273	1.9
163.14799	6.0
165.05493	12.8
165.09122	5.3
165.12738	6.9
167.07028	30.5
167.08452	3.2
169.06458	1.9
171.07979	2.7
173.05981	5.3
173.09665	1.8
173.13214	2.6
175.03999	2.1
175.07532	9.2
175.10994	1.5
175.14749	7.7
176.04649	2.1
177.05428	5.7
177.09052	2.5
177.16328	3.5
178.06274	1.6
179.07045	12.5
179.14311	2.4
181.04901	4.5
181.06416	1.9
181.08438	3.4
183.07985	1.8
183.13826	3.4
187.07547	6.7
187.14812	2.7
189.05409	6.1
189.09142	2.6
189.16370	3.2
191.07011	20.0
191.14253	7.1
193.04913	17.0
193.08606	9.6
193.15878	5.7
195.06454	3.7
195.10110	17.2
197.06181	2.3
197.08090	5.2
201.05333	1.5
201.09148	3.7
201.16321	1.8
203.06985	9.6
203.17955	2.1
205.08601	4.1
207.06471	3.2
207.10159	1.7
207.17485	2.6
209.08057	9.4
211.07776	1.8
211.09561	3.1
211.16895	10.0
215.06943	2.5
215.17934	5.5
217.08577	4.1
217.50813	1.6
219.06502	7.8
219.10060	4.4
221.08055	17.4
223.09760	2.5
229.08517	3.9
231.06503	4.7
233.08138	6.8
235.09702	1.8
239.09050	12.0
243.10150	3.4
245.08145	5.2
247.09715	5.8
247.24033	2.0
248.10379	2.0
249.07536	2.7
251.09245	1.9
257.08041	2.0
259.09662	2.7
261.07312	1.4
261.11203	7.6
263.09094	9.8
271.09711	4.4
271.24167	9.4
273.11206	1.8
277.25226	3.4
278.80383	1.6
279.12247	6.1
288.07767	2.4
289.10706	11.2
289.25235	12.9
307.11722	8.7
307.26205	11.0
315.12265	3.7
325.12988	3.8
325.27136	2.4
327.12320	10.0
333.65344	1.6
341.13632	7.4
342.14456	1.7
343.15332	1.9
345.13351	1.7
353.13779	2.2
359.14600	3.3
369.13220	2.4
371.15054	4.4
421.48343	1.8
439.17334	2.6
451.17413	2.9
457.18381	4.3
469.18729	7.6
487.19858	4.2
505.19919	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1911
Annotation	Tinosinen
Peak:m/z	Relative Intensity
53.03933	1.4
55.01844	2.3
55.05481	1.0
56.05016	1.6
57.03425	3.5
60.04502	0.8
61.02924	3.5
67.05485	2.5
69.03416	13.6
71.01345	0.8
71.04987	2.9
71.61529	0.9
72.08135	1.4
73.02907	3.0
74.06072	1.7
79.05479	3.1
81.03413	5.3
81.07052	2.7
83.04987	3.9
85.02892	35.2
85.06532	1.2
87.04499	2.1
91.03941	1.9
91.05452	5.8
93.07034	2.4
95.04958	4.4
95.08601	3.4
97.02874	12.0
98.38811	0.9
99.04452	2.8
99.08090	1.9
101.06011	1.7
103.05464	3.7
105.07014	8.7
107.04930	2.4
107.08580	1.6
109.02876	4.7
109.06487	2.4
109.10138	2.9
111.04457	1.0
115.03932	1.3
117.06983	1.0
119.04932	9.9
119.08572	1.5
121.06477	2.3
121.10122	1.7
123.04414	8.4
123.08047	3.0
125.93506	0.8
127.03929	9.6
127.07482	0.9
128.04340	0.9
130.05092	0.8
131.04929	1.8
133.05008	1.1
133.06464	6.7
133.10107	1.8
135.08057	2.3
135.11662	1.2
136.05196	1.5
137.05959	8.8
137.09598	4.0
139.03954	1.2
145.04935	5.7
145.10133	1.0
147.04405	13.8
149.05978	2.4
150.06760	2.6
151.03925	2.1
151.07526	12.5
153.01822	3.4
153.05417	1.7
155.03377	8.5
161.05956	4.5
162.06578	0.9
162.07745	1.0
163.03914	1.2
163.07553	2.1
164.04652	1.2
165.05421	1.2
165.09097	13.3
167.07050	2.0
169.04958	3.6
170.05725	67.4
171.06212	1.0
177.05484	4.3
178.06303	0.9
179.07013	52.9
181.04941	0.8
183.06517	3.2
189.08992	1.1
191.07062	1.6
193.08578	44.5
193.15829	5.1
195.10039	1.0
196.07390	1.5
209.08078	2.9
211.09633	100.0
211.16896	3.8
212.09927	0.9
241.09843	1.3
270.58060	0.8
312.45197	0.9
313.11832	1.7
325.10974	1.8
342.11887	1.3
373.14880	52.1
374.15082	1.3
415.13544	0.9
425.13541	1.0
427.14584	1.7
445.15692	3.2
455.14417	1.9
473.15372	4.5
505.17606	17.7
506.19345	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66780	2.3
55.05493	7.2
57.07048	7.7
62.69630	2.4
67.05473	10.4
69.07036	8.5
69.37817	23.3
71.08629	6.4
75.68106	2.6
79.05456	8.1
81.03407	15.5
81.07054	13.5
83.08605	4.9
85.10143	2.7
91.05461	6.2
93.07030	5.8
95.04927	3.5
95.08573	11.6
97.10185	3.5
98.20772	5.4
105.07015	3.8
107.08546	4.0
109.10118	5.1
119.08552	5.4
121.10113	7.4
127.11134	3.4
133.10133	4.1
135.11642	5.2
147.11659	8.0
189.16356	6.8
193.12161	4.8
219.17471	5.2
237.18626	3.1
249.14952	3.2
291.10901	3.0
441.37250	3.8
459.38266	100.0
460.38644	4.5
480.58838	2.7
504.37146	15.3
504.44052	11.9
505.38541	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	504.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04778	0.4
50.19318	0.4
53.03934	0.6
55.01866	2.3
55.05507	3.9
55.57653	0.4
57.03434	2.5
58.36364	0.4
61.02911	1.2
65.03929	0.5
67.05501	2.7
69.03424	4.1
69.06709	0.7
69.07062	9.1
69.79341	0.9
69.79756	1.8
71.01344	0.8
71.04983	0.5
72.04519	0.5
73.02906	3.9
79.05486	2.7
81.03394	1.5
81.07047	8.9
83.08596	2.7
85.02892	7.8
87.04440	1.0
91.05469	4.6
93.07024	6.4
95.04951	1.0
95.08598	11.4
96.08930	0.6
97.02876	5.1
97.06522	0.8
98.20734	0.7
99.04433	0.5
99.93284	0.4
103.03973	0.6
103.05476	0.9
105.07018	13.4
107.04967	0.6
107.08580	10.1
108.08922	0.7
108.35797	0.4
109.02847	0.7
109.06503	0.9
109.10152	4.5
111.04424	0.5
111.08056	1.4
111.67767	0.5
115.03941	3.0
117.05476	0.5
117.06973	0.9
119.08567	22.2
120.08900	1.2
121.06470	0.6
121.09300	0.9
121.10133	12.4
122.10464	0.4
123.08093	0.6
123.11684	1.0
124.12056	0.5
125.05989	0.5
127.03901	2.0
131.04898	0.6
131.08568	2.9
133.04958	3.1
133.06448	0.5
133.10118	12.5
134.10480	0.7
135.11694	3.5
137.06009	2.5
139.07690	0.4
139.11066	0.6
143.08543	0.8
145.04947	1.8
145.10098	2.5
147.11668	6.1
149.09619	0.6
149.13239	5.8
150.07631	0.5
153.39374	0.4
157.10117	1.0
159.11678	1.8
161.05972	0.6
161.09624	0.5
161.13252	1.1
163.06012	0.7
163.07542	0.8
163.11159	0.6
165.09032	0.7
171.11722	0.5
173.13239	2.3
175.14806	100.0
176.15141	2.0
177.16367	56.6
178.16725	1.3
179.05592	0.6
185.13153	0.5
187.14743	1.4
189.12825	0.7
189.16246	0.7
191.14285	0.8
193.08450	0.5
193.15881	1.8
197.13107	0.6
201.16455	0.7
203.14371	0.7
215.14287	1.2
217.15846	0.4
301.17978	1.4
307.19037	0.5
319.19034	0.6
343.15570	0.4
351.17761	0.7
355.21045	0.5
458.32614	0.5
504.20602	0.5
504.33984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01863	2.0
55.05510	7.2
57.03430	2.4
57.07067	1.4
59.30173	0.6
61.02918	1.2
65.03934	1.4
67.05499	6.1
68.05824	0.6
69.03429	3.6
69.07059	13.9
70.06583	1.8
70.72038	0.5
71.01385	0.5
71.04987	1.1
71.62193	0.5
71.62604	0.8
71.98917	0.5
72.04525	0.8
73.02911	3.0
77.03930	0.5
79.05477	7.3
81.03413	1.7
81.07047	18.3
82.07379	1.3
83.04958	1.2
83.08609	4.8
85.02895	6.2
85.06538	0.6
86.06068	1.1
91.05467	21.0
92.05815	0.7
92.57446	0.5
93.07034	11.7
94.07362	1.0
95.04953	2.5
95.08598	23.4
96.08189	0.7
96.08926	1.7
97.02879	4.5
97.06483	1.3
99.04413	0.7
99.08076	1.1
103.05443	2.7
104.06229	1.6
105.07023	33.5
106.07336	0.9
107.04960	0.7
107.08585	17.6
108.08228	0.5
108.08915	1.9
109.02844	0.5
109.06487	2.6
109.10145	5.8
110.10475	1.3
111.08065	1.2
115.03909	1.9
115.05419	1.1
115.36983	0.6
117.06993	6.2
119.08568	88.3
120.08862	3.3
121.06563	1.0
121.10128	7.7
122.10484	1.7
123.08084	1.3
123.11703	3.4
124.12022	0.9
125.09590	0.7
127.03905	2.1
130.43327	0.5
131.08560	5.6
132.08916	0.7
133.04953	3.8
133.10115	50.5
134.10471	1.9
135.08026	0.7
135.11676	4.6
136.12004	0.8
137.05954	2.7
137.09651	1.1
138.06215	0.6
143.08586	1.1
145.04941	2.9
145.10103	7.4
146.10411	2.6
147.11670	11.6
148.11996	1.1
149.09555	0.8
149.13211	1.2
150.07590	1.7
151.03848	1.0
151.11089	0.7
157.10152	1.1
158.10535	1.3
159.07921	0.6
159.11676	3.5
160.12302	1.8
161.09602	0.6
161.13210	1.8
163.06024	0.9
163.07416	0.6
163.11177	0.6
163.14807	1.2
164.15150	0.6
165.09097	1.2
165.12720	0.5
170.10767	0.6
171.11646	1.5
172.12003	0.6
173.13287	4.3
174.13600	1.3
175.14806	100.0
176.15096	4.0
177.16364	3.2
183.10107	0.8
185.13193	1.7
186.13585	0.9
187.14809	3.0
188.15195	2.4
189.12733	0.7
189.16325	1.2
190.16649	1.3
191.14285	0.9
192.14711	0.6
192.17444	8.0
193.15854	3.9
199.14723	1.6
201.12750	0.6
201.16356	2.0
202.16702	1.8
203.10472	0.5
203.14224	1.1
203.17989	1.2
209.15341	0.9
213.16371	0.6
215.17950	0.8
217.15913	0.8
219.17340	0.6
221.15222	0.7
228.18173	0.7
235.16862	0.7
241.06955	0.8
246.15656	0.6
259.08014	1.1
266.38870	0.5
306.24817	0.7
307.19034	0.8
324.50677	0.5
398.31345	0.6
412.33047	1.0
422.31152	1.6
440.32358	2.7
442.33585	1.8
450.30606	1.1
458.33536	0.8
468.31796	1.7
486.32648	0.9
504.28888	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.372
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
53.03929	4.1
55.01846	0.8
55.05253	1.7
55.05500	20.3
57.03425	1.7
57.07054	3.6
59.04979	1.1
65.03922	2.4
67.05495	58.7
69.07060	12.8
71.05000	5.2
71.08631	1.6
71.09256	1.2
71.09568	1.6
79.05482	31.7
81.03401	8.8
81.07045	81.6
82.81241	1.0
83.04951	2.2
83.08602	11.2
84.50816	1.0
85.06536	8.5
85.10152	0.9
89.46024	1.0
91.04895	1.3
91.05461	24.0
93.07032	26.2
95.04969	6.6
95.08592	22.0
97.06539	2.4
97.10149	5.7
99.08070	1.2
105.07011	16.5
107.04943	2.3
107.08572	14.0
109.06526	1.9
109.10124	10.4
111.08072	1.9
111.11721	1.5
117.06998	5.7
119.08557	11.4
121.10132	13.5
123.11677	10.8
129.06993	1.8
131.08534	5.7
133.10101	12.8
135.08080	1.0
135.11671	8.2
142.10077	0.9
143.08517	1.6
145.10095	5.1
147.11670	6.3
149.09592	2.3
149.13242	3.5
151.11169	4.7
154.26726	0.9
157.10107	2.1
159.11691	4.4
160.31758	1.3
161.13222	3.3
163.11224	1.2
169.12268	1.6
171.11700	1.5
173.13268	2.8
175.11195	1.5
187.13290	6.9
187.14774	1.7
189.16531	1.3
193.12157	4.9
249.14789	1.3
261.22131	2.4
275.20236	2.3
299.23685	1.2
317.24701	1.5
393.31641	1.4
411.32541	1.4
431.31467	5.1
458.37112	5.6
485.36542	1.6
503.37320	100.0
504.37564	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	503.3362
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
55.01851	1.6
55.05506	7.8
57.07066	4.0
67.05489	15.4
69.03419	4.7
69.07050	13.8
71.04986	4.1
71.08631	1.6
71.62746	1.4
78.84832	1.2
79.05492	10.1
81.07043	35.3
83.04972	2.8
83.08607	8.0
85.02882	3.8
85.06508	3.3
88.71455	1.4
91.05453	17.8
93.07024	29.6
95.04962	5.3
95.08591	42.6
97.02856	2.7
97.06519	5.4
97.10159	2.6
99.08074	7.6
103.05479	1.4
105.07012	39.5
107.05000	1.4
107.07868	1.9
107.08582	36.7
109.06498	4.1
109.10137	18.8
111.08044	4.2
111.13916	1.4
113.06017	1.4
115.03912	1.5
115.05489	1.7
117.06989	7.4
119.08564	74.5
121.06470	4.0
121.10123	28.7
123.08034	7.3
123.11694	8.3
125.05958	1.5
125.09590	3.4
127.03898	1.6
127.07565	1.7
127.11194	2.1
128.06218	1.7
129.07018	2.9
131.08549	29.0
133.09100	2.4
133.10114	46.0
135.08031	3.4
135.11664	14.5
136.38892	1.5
137.05954	4.1
137.09581	4.9
137.13208	2.6
139.11145	2.7
143.08504	7.9
145.04985	1.5
145.06445	2.7
145.10109	40.0
147.04387	1.5
147.08043	2.9
147.11684	33.8
149.05930	2.0
149.09616	3.9
149.13216	12.3
151.07507	2.2
151.11150	1.6
157.10147	10.1
159.11688	21.6
160.12349	1.7
161.09569	8.6
161.13231	17.4
163.07552	2.5
163.11171	3.7
163.14792	11.8
165.09073	2.6
165.12625	2.1
169.10077	2.4
171.11674	6.7
173.09637	2.3
173.13239	27.1
175.11252	3.2
175.14809	100.0
177.09090	1.7
177.12730	4.2
177.16368	11.8
179.14334	2.1
183.11676	5.6
185.13248	12.5
186.86618	1.5
187.14798	37.6
189.12718	5.1
189.16333	13.9
191.10518	2.1
191.14355	8.7
191.17955	1.9
193.12256	5.2
193.15839	7.5
195.11722	2.1
195.13805	1.9
197.13248	5.2
199.14787	16.0
201.12749	1.7
201.16357	39.1
203.14330	5.3
203.17955	12.7
205.15880	4.2
209.13235	1.9
211.14758	4.5
213.16331	7.8
215.14334	4.1
215.17931	3.9
217.15823	4.2
219.13899	3.0
219.17453	10.6
221.13470	2.3
221.15350	12.7
225.16336	2.4
227.17937	2.3
229.15843	4.0
229.19472	4.2
231.17485	2.2
233.15317	6.6
235.16933	2.2
237.18390	3.1
239.17894	2.8
241.19453	4.0
245.15341	4.0
247.16875	8.3
249.14685	1.8
249.18536	2.6
253.19624	2.1
265.18039	3.3
269.22577	1.9
281.22607	2.0
305.24683	5.9
375.30545	4.8
377.32269	1.9
393.31552	15.2
395.33066	3.5
403.29968	4.3
411.32663	9.1
421.25864	2.4
421.30994	33.5
423.32422	5.2
439.32193	33.0
440.31787	1.6
441.33640	4.2
449.30243	5.3
457.33170	11.5
467.31531	20.5
485.33124	11.0
503.34341	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	15.6
57.07064	6.3
67.05486	29.0
67.98860	3.9
69.07063	24.3
69.53375	18.9
69.53796	14.8
71.04954	4.5
79.05472	17.8
81.07042	72.3
83.04953	4.3
83.08601	18.1
89.02348	5.0
91.05465	22.3
93.07026	47.2
95.04948	11.7
95.08588	100.0
96.08964	4.7
97.06489	8.1
97.10171	8.0
99.08067	6.0
105.07016	69.9
107.08575	73.6
109.06470	8.1
109.10136	59.0
111.08027	5.4
113.06010	5.5
117.06976	8.8
119.08566	77.0
121.06476	7.3
121.10119	66.9
123.08026	21.3
123.11691	22.2
129.06902	5.8
131.04861	5.7
131.08527	56.2
133.10103	58.8
135.08000	8.5
135.11674	27.7
137.09579	23.0
137.13249	7.7
139.07466	5.0
143.08516	19.3
145.10100	79.7
147.08002	11.1
147.11674	42.1
149.05908	10.2
149.09583	6.9
149.13235	14.8
151.11115	6.1
151.14799	19.4
155.08495	4.5
157.10086	27.1
159.11665	53.1
160.11931	4.5
161.09554	5.0
161.13246	33.7
163.14787	15.2
165.09055	16.6
165.12759	6.9
169.10045	8.6
171.11650	15.4
173.13226	46.2
175.11162	6.1
175.14821	46.9
177.12872	5.9
177.16399	21.9
179.14281	10.5
183.10141	32.2
183.11642	12.1
185.13234	47.5
187.14799	67.8
189.16344	23.0
191.14250	10.6
191.17828	6.2
193.15810	9.0
194.28946	4.1
195.11639	4.6
197.13162	11.9
199.14766	33.0
201.12697	4.8
201.16353	56.6
203.14296	16.9
203.17876	12.8
205.12216	6.5
205.15797	35.5
213.16335	15.2
215.14323	6.8
217.15791	13.3
219.13876	23.3
219.17386	48.9
221.15263	9.0
223.16890	25.8
229.15738	5.5
231.13654	5.4
233.15286	9.4
235.16951	8.0
237.14807	12.2
239.16364	17.0
247.16858	10.4
265.17923	8.0
267.19516	6.5
305.24622	6.1
307.23978	6.1
309.25851	8.8
327.26813	5.0
351.30423	4.2
369.31128	4.2
379.29791	7.6
393.30875	4.3
397.31104	6.0
403.29868	6.6
421.30823	34.9
427.31815	6.0
429.33328	4.8
439.31973	55.4
441.33282	11.0
445.54300	4.4
449.30225	12.5
457.33011	86.0
467.31235	23.5
485.32715	49.1
503.34354	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3364
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
55.01865	5.3
55.05493	18.0
57.07065	8.1
65.03909	5.3
65.89640	3.8
67.05495	35.0
67.76049	4.0
69.03423	5.4
69.07059	27.3
70.22012	18.8
70.25906	4.1
71.01349	7.9
71.04984	8.8
73.06541	5.2
79.05489	26.3
81.07045	77.9
83.08620	12.1
89.02364	6.2
91.05450	26.7
92.23330	4.0
93.07024	57.7
95.04962	11.0
95.08589	86.9
95.41082	4.5
97.06508	6.0
97.10165	5.8
99.08066	12.4
99.55589	4.4
105.07013	85.2
107.08575	74.0
107.49294	4.8
109.06499	9.3
109.10147	62.1
111.08064	7.4
117.06995	19.3
119.07779	7.4
119.08565	90.8
121.06485	6.5
121.10122	88.6
123.08054	19.4
123.11707	26.6
125.09647	4.8
129.06981	5.7
131.08545	57.6
133.10106	68.8
135.08040	11.0
135.11667	50.3
137.05919	6.2
137.09633	26.4
137.13229	8.9
139.11281	5.6
142.07698	4.7
143.08565	29.0
145.10100	100.0
146.10503	4.9
147.08051	9.9
147.11684	49.1
149.05978	15.8
149.09583	5.8
149.13245	23.0
151.14801	19.6
156.09340	5.3
157.10130	30.4
159.11668	61.4
161.09578	7.2
161.13223	33.4
163.07513	6.7
163.11209	9.3
163.14771	22.4
165.09125	18.5
165.12807	5.6
170.10904	5.5
171.11665	21.3
173.13232	50.1
175.14777	49.1
177.16362	20.6
179.14322	6.0
181.10130	6.1
183.10143	43.9
183.11693	12.8
185.13232	46.4
186.13618	5.4
187.14790	90.6
189.16391	29.0
191.14313	7.4
191.17857	6.1
193.15907	9.4
193.29669	4.3
199.14742	39.8
201.12566	7.2
201.16342	60.9
203.14333	16.0
203.17790	11.2
205.15829	38.1
211.14833	8.9
213.16377	21.7
215.17828	9.5
217.15904	12.2
219.13869	32.1
219.17377	60.6
221.15303	8.1
223.16888	34.0
225.16479	5.3
229.15878	5.1
231.17322	8.9
233.15308	17.6
235.16893	9.6
237.14709	10.9
239.16338	22.6
245.15460	5.3
247.16869	8.0
249.18385	5.6
257.18954	5.0
267.19519	9.1
268.40933	4.9
300.22867	4.9
309.25565	7.7
327.26822	5.8
397.30899	6.2
421.30972	41.1
427.31998	11.9
431.29184	7.2
439.31964	69.6
441.33331	7.3
449.30389	16.2
457.33057	99.4
467.31433	25.5
485.32547	64.5
503.33942	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3359
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
55.05497	20.4
59.50355	4.6
67.05489	28.1
69.03433	4.6
69.07055	14.7
70.16982	11.0
70.17378	8.8
77.61770	4.4
79.05482	28.1
80.55803	4.3
81.07043	50.6
83.04975	4.6
91.05487	34.3
91.95335	4.3
93.07037	46.1
93.66084	5.0
95.04977	14.2
95.08600	61.9
97.06501	10.8
97.10176	6.4
98.21419	4.7
99.04433	4.5
99.08103	24.1
105.07010	57.4
107.08591	75.5
109.06496	9.6
109.10146	28.9
117.06994	12.5
119.08562	100.0
119.09355	8.6
121.06488	13.4
121.10130	37.8
123.08083	17.1
123.11709	10.0
125.09617	8.0
127.07564	5.2
129.06979	6.7
131.08560	62.4
133.10112	52.0
135.08051	10.0
135.11665	32.3
137.09581	6.3
141.08974	5.8
143.08533	25.6
145.10103	64.6
147.08012	7.9
147.11671	79.2
149.09601	7.6
149.13277	15.0
157.10126	23.1
157.51788	5.0
159.11676	37.5
161.09590	14.5
161.13239	21.3
163.11151	11.9
163.14792	12.2
165.12747	4.5
169.10139	5.6
171.11685	13.0
173.09680	7.9
173.13245	56.2
175.11205	9.4
175.14836	35.2
177.12753	8.6
177.16388	8.9
179.14284	5.9
183.11644	8.7
185.13246	19.4
187.14813	81.8
189.12746	10.5
189.16370	16.2
191.14256	20.4
193.15935	10.7
195.11699	6.8
195.13718	9.6
197.13214	8.1
199.14839	37.2
201.12698	9.1
201.16322	70.6
203.14259	15.1
203.17931	6.3
205.15810	9.1
211.14838	8.1
213.16296	14.1
215.14108	5.7
217.15919	5.0
219.13783	19.7
219.17360	24.8
221.15482	22.4
227.18004	8.9
229.19403	5.8
233.15347	6.7
235.13214	8.7
235.16908	5.7
237.14627	6.0
239.18069	6.1
241.19356	6.9
245.15340	7.3
247.16882	8.5
253.19620	6.2
259.16876	5.7
310.52466	5.1
375.30618	8.2
393.31747	26.8
403.29828	15.9
407.79086	4.4
411.32498	19.2
421.30911	62.8
423.32901	7.9
439.27081	6.6
439.32153	62.4
449.30212	9.4
457.33115	29.0
467.31473	49.7
485.33261	26.5
503.30014	22.3
503.33008	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	503.3359
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
51.02357	2.7
53.03955	3.5
55.01886	3.3
55.05501	17.7
57.07055	6.7
61.01554	2.4
64.46360	2.2
67.05488	58.4
67.05823	4.4
69.03415	3.7
69.07053	26.8
69.58456	17.3
69.58868	5.4
70.00064	2.4
70.89328	2.0
71.01340	6.8
71.04984	8.9
73.06524	4.8
79.05486	26.5
81.07039	74.7
83.04961	6.9
83.08609	17.3
85.06522	4.9
86.09694	3.7
89.02390	6.8
91.05456	32.0
93.07027	50.4
95.04953	12.5
95.08588	100.0
97.06501	6.9
97.10165	7.0
98.20810	4.0
99.08080	5.6
105.06303	3.5
105.07008	70.9
107.04944	5.6
107.08577	71.4
109.06504	12.3
109.10133	79.0
111.08079	5.3
113.05997	5.9
115.07542	2.7
117.06982	17.6
119.08557	83.3
121.10123	72.6
123.08046	14.2
123.11690	26.0
125.09597	5.8
127.11139	5.9
128.06215	3.4
129.07007	10.2
130.07817	3.6
131.07047	3.6
131.08546	50.3
133.10114	59.0
135.08043	9.1
135.11665	37.1
137.09602	26.8
137.13235	11.2
139.07521	3.6
142.07695	5.6
142.59515	2.6
143.08525	19.4
145.10089	87.1
147.08009	6.3
147.11662	42.6
149.09627	8.9
149.13214	16.1
151.07504	3.0
151.11115	3.0
151.14771	16.7
153.09114	2.9
155.08530	6.4
157.10101	22.7
158.10866	2.9
159.08038	2.8
159.11664	54.1
161.09558	5.1
161.13223	36.3
163.07407	4.1
163.11153	10.6
163.14783	15.1
165.09108	10.9
165.12759	6.2
165.16360	4.5
169.10022	5.4
170.10956	4.6
171.11674	18.4
172.12463	3.1
173.09637	3.3
173.11745	5.1
173.13219	47.0
175.11183	5.5
175.14780	38.1
177.09033	3.7
177.12675	5.8
177.16389	10.2
179.10707	3.7
179.14275	11.8
181.10114	3.0
183.10172	51.7
183.11693	8.9
184.07343	10.8
185.13220	57.7
187.07455	2.4
187.14781	70.9
189.12688	4.4
189.16348	28.1
191.14262	9.2
191.17914	8.8
193.12186	2.9
193.15865	9.5
195.11682	3.4
197.13281	6.5
199.14796	27.8
201.12724	3.8
201.16335	61.9
203.12689	3.0
203.14265	14.7
203.17935	10.2
205.12242	4.0
205.15887	18.0
207.13759	4.9
207.17468	2.5
209.15208	4.4
211.14774	7.0
213.16318	13.9
215.14316	5.7
215.17958	8.4
217.15756	11.8
219.13876	7.3
219.17384	62.8
221.15274	6.3
223.16896	3.8
225.16402	3.9
227.14316	3.5
227.17935	6.6
229.15916	7.3
229.19571	5.2
231.17433	9.8
233.15289	12.2
235.16949	6.5
237.14824	10.0
239.16238	25.9
245.15314	7.0
247.16823	13.9
249.18524	4.5
251.16322	4.5
257.19012	10.9
259.16965	3.2
261.18423	2.8
265.17923	4.6
267.19318	11.4
275.20007	10.8
309.25662	9.0
327.26782	6.6
336.44693	2.8
351.30505	3.5
355.26236	5.2
367.29770	3.6
379.29837	5.5
395.33215	3.2
397.30850	5.5
403.29749	7.0
409.30792	3.7
421.30966	32.4
423.32794	2.9
425.30453	7.5
427.32281	14.0
431.29724	3.5
439.32004	75.6
441.33563	4.8
449.30606	12.6
457.33035	52.8
467.31534	31.9
473.32834	2.6
485.32629	66.6
503.33936	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3361
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
53.03930	3.6
55.01861	3.4
55.05499	9.3
57.03426	2.4
57.07047	1.8
59.04990	3.4
61.41682	1.6
67.05495	28.9
69.03432	3.6
69.07061	14.3
69.47755	4.0
69.48160	11.8
71.04636	2.5
71.04987	28.7
73.06542	2.6
79.05481	14.5
81.03421	3.7
81.07047	47.0
83.04966	6.0
83.08617	5.5
85.06525	3.9
91.05453	16.9
91.05920	1.6
93.07031	47.2
95.04964	15.2
95.08596	37.8
97.06518	6.3
97.10177	2.0
98.20717	3.3
99.04438	4.5
99.08083	6.8
105.07015	29.7
105.19453	1.5
107.04951	3.7
107.08583	45.9
107.09291	3.5
108.08975	1.8
109.06508	10.3
109.08347	1.4
109.10145	26.7
111.08048	9.2
117.07010	8.1
119.08565	36.0
121.06490	6.3
121.10130	35.8
123.08052	15.7
123.11686	7.7
125.06028	1.8
125.09641	10.4
127.11170	17.7
129.06967	3.9
130.07814	2.7
131.08542	14.6
133.06413	2.2
133.10109	24.3
135.08096	8.7
135.11676	32.5
137.05899	2.0
137.09627	6.6
137.13254	6.7
139.11203	4.6
143.08554	7.4
145.10109	42.8
147.08060	7.2
147.11681	22.7
149.09590	7.8
149.13263	4.3
151.11183	5.9
153.12729	23.1
155.08517	2.7
156.09302	2.8
157.10091	15.0
159.08003	2.7
159.11667	19.5
161.09625	7.2
161.13216	9.6
163.11159	25.6
163.14862	2.1
165.09093	4.3
165.12810	3.6
167.08617	1.8
169.10139	4.7
171.11714	14.7
173.09647	3.2
173.13257	15.6
175.11203	7.2
175.14783	8.7
176.18907	1.7
176.48882	1.7
177.12776	3.5
177.16342	2.0
181.10114	1.4
181.10558	2.2
181.12202	33.9
181.13689	2.8
182.10941	1.9
183.11732	7.4
184.12447	2.2
185.13243	11.5
187.11214	5.5
187.14822	11.3
189.12770	5.7
189.16394	3.2
191.10660	1.9
191.14311	5.8
193.12283	2.1
195.11743	3.9
197.13268	6.9
199.11436	2.9
199.13324	23.2
199.14905	7.8
201.12793	5.1
201.16310	8.9
203.14346	7.7
203.17984	2.7
205.15891	3.4
207.11705	1.8
207.13727	2.6
209.13387	3.5
209.15489	2.1
211.14879	4.4
213.12857	3.3
213.16428	6.5
215.14279	3.9
217.16016	2.1
219.02272	2.0
219.13817	2.3
219.17383	3.0
221.13374	2.0
221.15346	3.7
225.16330	3.0
227.14394	2.5
227.17831	8.4
229.15984	4.4
230.16736	2.3
231.13614	2.0
233.15419	3.2
239.14322	1.9
239.18008	3.4
239.91974	1.7
241.19557	4.1
245.15344	2.2
245.19011	20.8
247.14845	2.3
247.17075	4.1
257.19058	3.4
259.16986	2.6
261.18692	2.1
263.17770	1.7
269.19052	6.5
273.18616	2.0
275.20172	5.7
277.19336	2.4
279.17255	2.0
281.19022	2.6
287.20087	10.9
295.20523	2.7
305.21127	16.0
321.22073	1.9
335.23633	6.1
339.23343	2.5
341.24832	2.4
341.36667	1.7
353.24811	7.2
363.23038	3.0
381.24368	6.3
389.28754	2.1
403.30188	2.9
407.30014	3.8
411.76819	1.7
421.31137	13.1
425.30612	4.2
431.29459	10.0
439.32132	13.3
449.30463	57.8
449.36517	3.3
450.30463	3.1
457.33005	11.0
467.31534	100.0
468.31778	4.4
485.32669	28.0
503.33740	74.7
504.34369	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	503.3361
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
53.03928	5.5
55.01849	8.5
55.05497	24.8
57.03421	4.8
57.07071	5.6
65.03925	6.1
67.05177	3.8
67.05498	55.2
69.03434	4.9
69.07057	31.9
69.46304	10.8
69.46724	24.6
71.01311	4.5
71.04966	12.9
78.53099	3.6
79.05489	29.5
81.03402	7.3
81.07045	81.7
83.04945	6.4
83.08599	15.5
85.06523	10.8
91.05470	35.0
93.07034	58.0
95.04945	10.9
95.08597	100.0
97.06528	11.4
97.10164	8.0
99.04385	3.8
99.08099	5.4
103.05438	3.9
105.07023	72.1
107.08577	75.1
109.06493	12.9
109.10146	79.4
111.08072	9.3
113.09626	9.0
117.07000	16.6
119.08566	80.4
121.06474	4.5
121.10139	73.8
123.08045	17.4
123.11697	29.7
125.09619	17.8
127.11194	4.1
127.24632	3.9
129.07007	9.1
130.07745	4.7
131.08556	40.2
133.09091	6.6
133.10103	71.8
135.08051	9.9
135.11652	40.0
137.09584	24.5
137.13231	8.6
139.47945	3.4
141.09250	4.0
142.07697	4.5
143.08553	20.7
145.10103	74.1
145.11148	7.3
147.08022	6.7
147.11674	48.0
149.09575	13.2
149.13246	21.3
151.11104	6.1
151.14763	11.7
155.10687	5.8
157.10088	29.6
159.11670	58.9
161.09627	9.4
161.13261	35.1
163.07455	3.9
163.11104	9.5
163.14819	19.3
165.09090	6.7
165.12691	8.2
169.10092	8.1
171.11620	17.9
172.12433	6.3
173.11858	7.7
173.13237	44.6
175.14857	39.6
177.12779	10.3
177.16382	12.4
179.14240	15.1
183.10144	27.5
183.11603	8.1
185.13232	47.0
187.14810	67.2
189.12782	8.6
189.16331	29.3
191.14287	14.4
191.17961	7.2
193.12312	4.1
193.15874	10.5
195.11694	5.7
197.13158	9.9
199.14815	30.4
201.12723	8.1
201.16357	42.4
203.14278	14.9
203.17941	8.6
205.12201	5.2
205.15836	13.1
207.13736	5.4
207.17436	5.3
211.13072	4.9
211.14839	8.9
213.16393	16.3
215.17918	10.2
217.15857	12.6
219.13632	7.2
219.17360	39.2
221.15289	8.7
225.16557	6.5
227.17906	7.8
229.15895	10.6
231.13814	6.0
231.17468	11.7
233.15257	11.9
235.16957	8.5
237.14749	7.4
239.16293	8.0
245.15230	7.7
247.16919	13.5
249.18521	4.5
257.19003	8.0
267.19534	6.0
269.22717	4.0
271.20407	5.5
275.20123	14.1
309.25781	7.5
327.26697	4.7
353.24561	5.2
369.31439	4.9
379.30377	4.1
393.31561	7.6
397.31165	8.0
409.30704	11.5
411.32462	6.1
421.31134	29.1
427.32147	21.5
431.28964	4.5
439.32074	63.6
449.30399	17.5
457.33218	44.9
467.31534	32.1
485.32782	64.9
503.33881	95.5
506.35492	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2479
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.03933	1.2
55.01838	0.9
55.05503	2.2
57.03411	2.2
57.07063	1.7
58.09650	0.6
59.04981	0.7
61.02910	1.0
67.05504	3.4
69.03420	40.7
69.07052	4.5
71.01361	0.7
71.04980	3.0
71.53776	0.5
71.62198	1.1
73.02886	2.5
79.05477	3.3
81.03414	2.0
81.07043	9.2
82.07778	0.6
83.04964	3.9
83.08611	1.0
85.02892	5.6
85.06520	2.3
91.05478	3.9
93.07027	5.0
94.04153	0.6
95.04951	2.1
95.08047	0.7
95.08603	10.4
97.02899	3.4
97.06503	4.4
97.10094	0.8
99.04427	0.9
105.07026	4.8
107.08580	14.9
109.02854	1.3
109.06505	7.5
109.10147	5.0
111.08044	3.3
115.03905	1.3
116.07091	0.7
117.05439	1.8
117.06981	0.8
119.08567	4.4
121.06475	2.6
121.10126	10.8
123.08035	2.8
123.11687	6.0
125.09611	19.8
127.03886	1.9
127.87209	0.6
131.04898	0.9
131.08578	5.4
133.04922	1.9
133.10107	16.8
135.08046	9.8
135.11676	4.8
137.05948	3.4
137.09590	5.9
139.11168	0.8
143.08525	1.1
145.04918	1.2
145.10086	2.4
147.11696	3.2
149.09569	7.0
149.13216	5.2
151.03780	0.9
151.11174	5.2
153.01797	1.5
153.09064	6.9
157.10085	0.7
158.10919	2.6
159.11638	1.2
161.06039	0.8
161.09564	0.9
161.13181	1.1
163.03822	1.2
163.07376	0.7
163.11169	3.0
163.14754	3.6
165.12746	2.7
167.07011	1.2
169.12186	0.7
173.13235	19.8
175.07509	0.9
176.11902	1.1
181.08514	0.9
189.09012	1.2
191.14279	74.0
192.14594	1.3
205.12154	0.9
207.13853	0.9
209.15337	100.0
210.15791	1.1
222.66568	0.7
275.11063	1.5
305.24792	0.7
322.11880	0.7
367.17780	0.8
503.19104	7.7
504.20392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2483
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
53.03931	1.0
55.01863	1.8
55.05521	1.7
57.03412	2.9
57.07057	0.9
59.04990	0.8
61.02913	1.8
65.03944	0.7
67.05495	1.9
69.03421	7.6
69.07050	2.4
69.38065	5.3
69.38480	2.1
71.01326	1.2
71.04985	3.9
73.02887	3.1
78.56221	0.7
79.05477	2.5
81.03397	3.9
81.07052	6.2
83.04965	2.5
85.02412	1.2
85.02898	12.5
85.06519	1.4
91.05435	3.4
93.07017	3.5
95.04960	16.1
95.08602	3.7
97.02893	4.6
97.06501	1.0
98.05977	0.7
99.04411	4.0
101.05981	0.9
105.07011	4.2
107.08585	8.7
109.02891	1.6
109.06508	5.3
109.10144	4.6
111.08035	0.9
115.03914	1.7
117.05447	0.7
117.07007	1.0
119.08566	3.2
121.06474	1.3
121.10121	8.2
122.07260	2.2
123.08057	3.8
123.11654	2.4
127.03906	6.2
131.04890	2.1
131.08537	2.8
133.04921	1.0
133.06465	0.9
133.10112	33.9
134.06749	0.9
134.10464	0.9
135.08034	4.5
135.11688	1.8
137.05975	3.5
137.09601	21.9
137.13240	0.9
139.11150	0.8
145.04933	2.1
145.10127	1.5
147.11638	2.2
149.09607	4.2
149.13257	6.3
151.07513	0.8
151.11169	9.7
153.09068	4.0
159.08057	2.4
161.13205	0.9
163.07483	0.9
165.12733	22.9
167.06978	0.9
173.13226	3.7
175.07521	1.1
177.09061	1.0
187.07574	2.5
189.12648	1.2
191.14291	26.7
191.77151	0.7
193.15840	1.0
205.08511	1.8
207.13782	1.9
208.14127	0.9
209.15341	100.0
210.15706	2.5
252.09503	0.8
305.17624	0.7
305.24826	1.3
331.11478	0.9
355.15308	1.2
371.20618	8.1
503.19089	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01865	3.2
55.05497	3.3
57.03423	3.2
57.07063	2.3
59.05005	1.5
61.02905	2.4
67.05486	5.8
69.03418	18.6
69.07052	8.7
71.04987	25.0
71.62308	1.7
73.02904	3.6
79.05475	5.8
81.03413	12.6
81.07047	19.8
83.04958	4.7
83.08620	2.3
85.02897	20.3
85.06535	4.5
86.88494	1.3
91.05453	4.8
93.07024	15.5
95.04955	5.4
95.08602	14.0
97.02869	8.2
97.06506	3.1
99.04430	5.0
99.08071	2.7
101.06007	1.8
105.07014	9.9
107.08566	15.4
109.02863	6.0
109.06487	7.0
109.10143	14.1
111.08053	2.7
117.05469	8.1
117.06978	1.4
118.80313	1.3
119.08563	7.8
121.06470	4.2
121.10117	20.0
123.08064	5.5
123.11668	6.3
125.09615	2.1
127.03889	11.2
129.05406	1.9
129.07047	2.1
131.04904	3.1
131.08557	4.0
133.06479	3.1
133.10107	7.1
135.08017	3.6
135.11696	6.8
137.05948	7.6
137.09622	10.0
137.13245	2.2
139.11136	2.8
141.06920	1.7
145.04930	3.6
145.06477	1.4
145.10149	2.5
147.11650	6.9
149.09593	7.6
149.13234	5.5
151.03893	3.3
151.07611	1.3
151.11150	13.5
153.01778	1.4
153.12726	5.9
157.10118	2.0
159.11604	2.5
161.05885	1.9
161.13257	2.3
163.07611	1.8
163.11093	1.7
163.14868	1.6
165.12726	33.6
167.07071	2.1
169.12279	1.6
171.13716	1.8
173.13272	3.7
177.12675	1.8
187.05922	2.1
187.07545	1.5
187.14867	1.5
189.09067	1.6
189.12810	1.7
191.14310	12.0
192.24844	1.2
195.10046	1.4
197.08099	1.8
201.16339	1.5
207.13914	2.4
209.15344	100.0
210.15622	1.6
211.13219	2.5
213.12811	1.3
229.18007	1.4
235.13258	2.8
255.37825	1.5
275.11237	9.3
287.23611	3.7
290.49670	1.4
305.24615	4.3
323.25699	5.3
341.13852	4.4
341.27112	1.4
355.92493	1.3
371.15118	2.4
371.20401	3.2
443.13470	2.9
457.16910	2.4
481.54434	1.7
503.17526	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	503.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52687	0.8
53.03924	1.4
55.05496	2.2
57.03415	1.2
58.81092	0.9
59.04984	1.6
61.02901	0.8
67.05480	3.9
69.03416	5.9
69.07057	4.3
69.38013	3.3
69.38427	5.3
71.04636	1.1
71.04984	12.8
73.02915	1.6
79.05479	4.1
81.03387	3.8
81.07047	8.5
83.04944	2.7
83.64014	1.0
85.02871	3.8
85.06521	1.1
89.06042	1.7
91.05444	4.9
93.07040	5.1
95.04948	3.0
95.08616	4.3
97.02859	3.0
97.06506	2.0
99.04446	1.2
99.08080	1.1
105.07029	6.1
107.04935	1.4
107.08575	17.2
109.02866	2.4
109.06483	5.3
109.10120	7.7
111.08049	2.3
117.05479	12.0
117.07021	2.2
117.50752	0.9
119.08528	4.0
121.06474	1.4
121.10135	13.7
122.07242	1.7
123.08032	1.7
123.11664	1.0
127.03841	2.2
129.05426	2.4
129.06929	0.9
131.08527	3.1
133.10110	100.0
134.10384	1.8
135.08031	12.3
135.11636	2.5
137.05986	1.8
137.09593	51.9
145.10088	2.1
147.08043	0.9
147.11649	6.1
149.09615	2.5
149.13257	13.4
151.11160	7.6
153.09135	1.0
158.69751	0.8
159.07985	1.2
159.11571	1.0
161.09538	1.0
163.14798	3.9
165.12697	1.8
167.07066	1.3
169.12158	1.4
173.11891	0.9
173.13277	5.1
175.11176	2.1
187.07533	1.0
191.14278	67.9
192.14671	1.7
193.12256	1.8
197.07997	1.9
209.15329	51.2
211.13216	1.4
215.09206	1.1
217.12163	0.9
226.00778	0.8
235.13058	1.1
251.34059	1.1
273.11902	0.9
275.11160	10.3
305.24719	0.9
372.57053	0.9
392.40393	0.9
485.23465	1.5
503.18826	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	502.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.05488	1.7
57.03402	0.7
59.03820	0.4
59.04974	1.7
67.05484	1.4
69.03423	3.1
69.07043	1.9
70.74367	0.9
70.74734	1.2
71.04984	9.5
73.06552	3.2
77.59851	0.5
78.73341	0.4
79.01822	1.3
79.05483	3.2
81.03392	3.6
81.07047	13.2
82.07388	0.6
85.02900	4.9
91.05473	1.9
93.07030	9.2
95.04927	0.6
95.08588	2.0
97.02858	2.7
97.06502	1.4
99.04424	0.8
101.03224	0.6
105.07011	0.9
107.01304	0.8
107.08574	5.9
108.08915	0.6
109.02871	4.7
109.10120	1.9
111.08048	0.9
119.08517	1.1
121.06526	0.8
125.02321	2.4
127.03902	8.1
135.11670	14.0
135.84171	0.5
136.12027	0.6
137.05946	1.0
143.03342	3.0
145.04907	0.9
145.10101	0.7
147.07686	0.5
147.11690	0.6
148.98849	0.5
153.01808	100.0
153.12721	70.0
154.02136	1.7
154.13057	1.6
159.11703	0.6
163.11151	0.6
166.57787	0.5
171.02856	15.1
196.21451	0.5
209.57790	0.5
256.16003	0.5
279.04950	1.4
297.06033	6.4
315.07040	39.3
316.07446	1.4
412.06308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.5
57.03430	37.9
60.04505	0.5
61.71509	0.4
66.98735	0.5
69.03432	2.4
69.48022	1.6
69.48446	2.1
71.04992	0.9
73.02896	0.5
81.03403	3.5
83.04964	1.1
85.02895	4.1
85.67658	0.5
89.06027	2.3
92.56225	0.4
94.92987	0.4
95.31208	0.4
95.31836	0.4
97.02877	3.3
99.04438	8.8
102.52971	0.4
109.02869	2.8
111.04433	0.5
113.05996	0.8
117.05477	12.7
118.22817	0.4
121.02877	0.5
127.03908	4.6
128.19258	0.5
129.05583	0.4
131.07025	100.0
136.07581	1.1
141.05467	1.7
143.03366	0.5
145.04942	1.2
152.07076	0.8
153.01796	7.8
153.02959	0.6
153.07362	0.5
159.06508	6.0
171.02951	0.7
177.07570	22.4
219.08676	0.7
239.73543	0.4
243.08595	0.7
285.09714	1.8
297.06201	0.5
303.10696	3.8
315.07004	0.8
321.11725	12.0
322.14822	1.5
339.11768	0.9
340.12247	2.1
429.24582	0.5
492.36273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.3
57.03430	6.1
59.04983	0.7
61.02921	3.2
63.74474	0.5
67.05483	1.2
67.99980	0.5
69.03067	0.7
69.03417	8.1
69.07054	0.9
70.06579	1.2
71.01337	1.5
71.04984	32.3
71.61384	0.7
71.61749	0.8
73.02909	10.5
79.05499	0.6
81.03413	2.5
83.04967	1.0
85.02895	16.0
85.06541	3.2
87.04439	1.1
91.03944	0.6
95.04949	0.9
95.08593	0.7
97.02882	11.5
98.06059	0.8
98.07169	0.9
99.04435	1.3
109.02872	2.3
113.05977	4.6
115.03925	6.3
125.02321	2.1
127.03901	6.1
127.07536	12.6
129.05501	0.8
131.04967	0.6
131.07033	17.2
132.06528	0.8
133.04948	6.7
143.07074	0.6
144.06548	1.3
145.04941	5.7
145.08582	100.0
146.08920	1.0
150.07631	0.7
153.01851	3.2
159.07803	0.6
162.07616	0.6
163.06015	1.1
164.35152	0.5
167.07019	0.8
173.08083	4.6
188.03746	1.3
191.09128	41.5
207.07658	2.7
217.54839	0.6
218.08148	0.6
223.05995	1.4
241.07063	1.2
259.08014	0.8
269.06506	1.1
277.09183	0.9
305.12442	0.6
317.12500	0.9
323.12381	1.5
325.21213	0.6
335.13373	2.2
502.20074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03922	1.3
55.01847	0.5
57.03431	4.4
66.08627	0.4
69.03108	0.5
69.03419	3.9
70.06597	0.5
71.04977	1.3
71.61347	0.6
73.02876	0.5
74.06066	0.4
79.01846	2.0
81.03409	8.6
81.07053	0.5
83.04965	0.7
83.63823	0.3
84.04478	0.6
85.02896	5.0
89.05980	0.4
89.66018	0.3
97.02879	7.2
97.06516	0.4
99.04434	2.2
107.01295	1.3
108.04430	1.3
109.02859	6.2
111.04425	1.0
111.81376	0.3
117.05487	1.2
123.53381	0.4
125.02328	3.5
127.03899	8.0
129.05458	1.2
131.07024	8.9
136.07576	0.6
137.05946	0.7
143.03365	4.8
143.07034	0.5
145.04973	1.8
153.01808	100.0
154.02133	1.4
155.22379	0.4
156.07758	0.4
166.05057	0.4
166.08754	0.3
168.10632	0.4
171.02872	14.1
176.03400	8.1
177.07552	2.2
194.04482	1.4
216.88554	0.3
255.04869	0.5
261.07544	0.6
279.04996	0.5
297.06015	11.5
315.07050	13.3
315.10721	0.7
321.11630	0.8
327.22736	0.3
338.08725	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	501.3206
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
53.03930	3.2
55.05256	2.7
55.05502	18.3
57.03406	3.4
57.07048	6.7
65.03918	3.3
66.89159	2.5
67.05492	23.0
69.03400	12.0
69.07059	24.2
70.82071	8.1
71.04964	9.9
72.32367	3.1
73.02906	2.7
79.05479	22.9
81.03387	6.8
81.07041	64.4
81.57407	2.9
83.04945	7.2
83.08614	13.4
85.02866	11.4
85.06506	10.2
85.96854	2.6
91.05468	27.1
93.07028	48.3
95.04939	11.4
95.08593	64.7
96.08935	3.0
97.02853	6.8
97.06510	13.7
97.10143	7.3
98.21523	2.9
99.04435	4.7
99.05099	3.2
99.08084	8.0
105.07011	70.8
107.04929	4.9
107.08575	74.5
109.02858	4.2
109.06483	15.9
109.10142	43.0
111.04418	3.5
111.08058	9.0
117.06995	10.2
119.08559	100.0
121.06496	12.9
121.10126	42.1
123.04430	2.9
123.08030	8.8
123.11674	16.9
125.05954	6.7
125.09644	5.6
127.03878	7.7
127.11118	3.3
128.06140	3.8
129.06961	8.3
131.08545	38.9
133.10112	46.4
135.08063	10.7
135.11650	25.8
137.05971	5.9
137.09590	10.7
137.13286	4.4
139.11133	7.3
141.05481	3.9
142.07732	3.4
143.08539	21.7
145.03923	3.1
145.10094	75.2
147.07980	7.7
147.11664	40.7
149.05963	3.9
149.09563	8.8
149.13248	16.2
151.07526	4.5
151.11148	5.8
153.09079	5.9
153.12746	4.3
155.08539	5.3
156.09268	4.5
157.06461	4.1
157.10085	22.0
158.10851	4.8
159.07977	5.2
159.11664	46.4
161.09573	10.4
161.13226	26.1
163.11130	12.2
163.13469	3.5
163.14720	14.5
165.07034	3.3
165.09105	5.8
165.12767	5.7
167.07039	5.2
169.10112	10.6
170.10883	8.6
171.11649	19.8
173.09619	5.4
173.13223	51.2
175.07344	3.3
175.11143	7.9
175.14796	59.3
177.09073	3.0
177.12720	7.6
177.16339	11.5
179.10667	4.5
183.11679	13.8
185.13225	31.2
187.11092	5.9
187.14798	48.1
189.12799	12.9
189.16371	15.9
191.14291	23.6
193.15831	4.0
195.10036	3.4
195.11630	5.9
197.13275	9.2
199.14746	28.0
201.12753	5.1
201.16365	41.1
203.14221	8.5
203.17886	8.1
205.15764	4.7
207.11841	3.1
207.13737	5.6
209.13356	6.0
209.15262	4.7
211.14771	9.8
213.12779	3.1
213.16284	14.9
215.14296	7.6
215.17958	6.1
217.12100	4.7
217.15819	6.8
219.13713	7.6
219.17407	6.6
221.15317	5.3
223.14806	3.6
223.16818	4.3
225.16335	6.4
227.17950	4.6
229.15775	4.8
229.19452	5.0
231.13831	5.9
231.17357	3.4
233.15216	6.4
235.13194	4.3
235.16936	4.9
241.19514	4.9
245.15392	7.2
247.17027	15.2
259.16827	8.9
265.17767	3.6
269.18658	4.5
275.19968	4.5
285.22052	3.5
303.23340	13.4
321.24091	12.5
373.28802	5.5
375.30222	3.2
391.29999	22.0
393.31583	3.6
409.30902	14.1
419.29370	22.2
420.06924	3.1
421.31137	4.7
429.29666	5.5
437.30411	37.4
439.32211	3.9
447.29489	5.2
455.31815	60.7
465.29941	17.4
483.31345	17.3
501.31662	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	501.3204
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
53.03942	4.9
55.05503	14.5
57.07070	5.3
67.05499	19.9
69.03423	5.7
69.07057	20.4
71.16891	13.7
79.05494	18.0
81.07048	54.7
83.08602	14.2
87.50441	4.1
91.05472	31.0
93.07031	51.5
95.04981	5.7
95.08598	65.2
97.06511	7.6
99.08089	5.0
105.07013	63.6
107.08588	70.1
109.06538	6.7
109.10139	46.6
111.08063	6.3
117.07001	8.8
119.08561	100.0
121.06522	8.5
121.10143	59.5
123.08061	5.3
123.11699	13.0
125.05969	5.5
129.07014	9.8
131.08562	63.1
133.02498	4.3
133.10115	58.7
135.08060	8.4
135.11665	25.9
137.05867	4.9
137.09569	10.0
143.08525	29.7
145.10097	84.2
147.11653	42.8
149.13257	21.9
151.07549	7.3
151.11195	5.8
153.09048	6.4
155.08582	10.8
156.09399	7.4
157.10094	40.2
159.11662	43.6
161.09604	8.9
161.13219	30.7
163.11186	9.6
163.14758	26.0
169.10124	12.9
170.10934	7.0
171.11610	25.5
173.13255	61.5
175.14795	88.4
177.09123	4.9
177.12726	8.6
177.16360	17.4
179.10728	8.6
179.14232	6.6
183.11685	20.9
185.13272	40.9
187.14798	61.3
189.12672	13.4
189.16350	22.5
191.14252	31.1
195.11658	5.8
197.13274	18.6
199.14790	44.3
201.12762	9.9
201.16344	53.6
203.14246	10.3
203.17896	11.4
205.15865	12.1
209.13284	6.1
211.14726	9.6
213.16309	30.1
213.28615	5.3
215.14159	5.9
215.18028	11.4
217.15842	9.7
221.15260	6.7
223.14905	6.4
223.16905	8.5
225.16449	7.1
227.17824	11.4
228.90244	4.7
229.15816	8.2
229.19435	8.1
233.15410	11.2
239.18050	5.8
241.19475	7.4
243.13741	5.5
245.15390	12.7
247.16948	12.0
253.19383	8.5
254.39867	5.0
259.16870	10.4
260.33459	4.5
267.21060	7.0
294.73419	4.7
303.23315	5.9
304.11700	5.1
307.24045	6.5
307.92410	4.6
337.64105	4.7
373.28705	11.9
390.09637	5.0
391.29971	37.7
401.28247	7.7
409.30847	18.2
419.29211	44.3
421.30823	7.0
437.30466	62.6
439.31931	6.4
447.29025	19.1
455.31494	84.7
465.29935	34.4
483.31033	31.1
501.32071	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41849	1.3
53.03937	1.9
55.01874	1.4
55.05503	9.2
57.07068	3.6
59.05026	1.6
65.03902	1.9
67.05489	16.9
69.03409	4.1
69.07068	14.8
69.42303	14.9
69.42709	2.8
79.05479	12.8
81.03421	2.9
81.07047	32.0
83.04971	2.8
83.08627	9.6
83.09045	1.6
85.02895	3.2
85.06528	3.5
86.22513	1.5
91.05461	18.5
93.07028	36.5
95.04965	3.9
95.08594	44.9
97.02870	2.3
97.06507	3.8
97.10161	2.7
98.20746	2.6
99.08089	14.3
102.24009	1.3
105.07014	67.8
107.08579	57.3
109.06499	6.4
109.10142	33.8
111.04466	1.6
111.08044	3.2
113.05972	1.8
115.05383	1.7
117.06996	8.2
119.08565	100.0
120.08898	1.9
121.06502	10.8
121.10126	37.6
123.04391	1.8
123.08069	8.6
123.11678	9.8
125.05991	3.8
127.03883	2.7
129.07002	6.0
131.07576	2.9
131.08549	56.6
133.10115	58.7
135.08058	8.8
135.11673	26.2
137.05972	2.6
137.09599	5.5
137.13211	3.0
142.07742	3.0
143.08527	18.5
144.09329	2.2
145.06470	1.9
145.10104	65.4
146.10468	1.4
147.08078	5.8
147.11668	57.9
149.09587	5.9
149.13239	11.9
153.09085	1.8
155.08546	5.3
156.09332	4.9
157.10092	25.5
158.10864	6.6
159.08025	4.3
159.11676	38.4
159.37849	1.5
161.09584	11.0
161.13223	23.1
163.11148	8.6
163.14818	14.2
169.10135	5.3
170.10901	4.4
171.11661	18.5
172.12534	3.7
173.09674	3.2
173.11725	3.4
173.13234	64.4
175.11311	2.2
175.14806	56.3
177.09158	1.7
177.12779	5.1
177.16396	10.5
179.14406	2.4
181.08667	3.9
183.11642	11.6
184.12566	1.5
185.13229	32.9
187.11308	3.3
187.14806	73.3
188.15141	2.1
189.09140	2.0
189.12701	17.0
189.16379	19.4
191.10556	2.9
191.14279	36.3
191.17970	4.9
193.12209	1.9
195.11717	3.1
195.13728	2.8
197.13243	7.9
199.11197	2.4
199.14803	34.3
201.12741	5.1
201.16354	58.3
203.14323	17.5
203.17946	9.2
205.12236	3.1
205.15892	5.8
207.13809	3.2
209.13287	3.5
211.14780	7.3
213.12738	1.8
213.16330	19.4
214.16957	1.6
215.14294	11.0
215.17953	4.0
215.99770	1.6
217.12279	3.7
217.15862	7.1
219.13753	8.3
219.17346	11.5
221.15417	2.6
223.14850	2.6
225.12730	2.0
225.16339	4.7
227.14426	2.0
227.17967	6.8
229.15915	5.4
231.13773	4.5
233.15390	4.1
235.13211	9.4
237.16615	1.8
239.17900	2.8
241.19478	3.6
243.17331	2.0
245.15329	7.3
247.16931	9.8
249.14705	14.1
253.19489	2.3
255.21083	2.5
259.16919	4.6
261.14874	2.1
267.21060	3.5
303.23245	2.7
307.24213	3.2
321.25479	2.1
337.25537	1.7
353.24643	6.6
371.25650	3.5
373.28918	5.6
375.30466	6.6
381.27689	3.8
391.25119	1.8
391.29959	28.4
393.31442	10.3
401.28159	2.2
409.31091	13.4
411.32578	2.8
419.29370	19.4
421.30801	5.5
437.30496	52.9
438.30933	3.0
439.31769	4.0
447.28653	2.9
455.31442	29.5
457.33881	1.9
465.30090	8.0
483.31085	10.3
501.31662	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	501.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.05502	12.6
57.03423	1.2
57.07057	4.3
58.48503	0.9
62.10764	1.0
67.05497	12.9
69.01600	1.1
69.03402	2.4
69.07056	12.9
71.04967	1.8
79.05472	13.9
81.03407	1.3
81.07045	29.5
83.04972	2.1
83.08613	6.2
85.02907	2.3
85.06512	3.4
91.05457	17.7
93.07027	31.9
95.04949	3.6
95.08591	43.0
97.02858	1.6
97.06531	2.9
97.10155	2.3
99.08082	14.7
99.89125	1.2
105.07016	57.6
107.08575	55.7
108.08897	1.6
109.06496	4.8
109.10135	28.4
111.04427	1.1
111.08073	2.4
115.05453	1.6
117.07000	8.5
119.08559	100.0
121.06515	10.4
121.10114	34.6
123.08037	8.4
123.11703	7.9
125.05981	1.7
125.09593	1.4
127.03885	2.7
128.06181	1.5
129.07004	4.3
130.07741	3.2
131.08542	55.4
133.06493	1.2
133.10107	50.3
135.08031	7.5
135.11670	21.1
137.05959	3.0
137.09576	5.2
137.13261	1.7
141.06926	1.9
141.80519	1.2
142.07762	3.0
143.08533	18.6
144.09273	2.5
145.10098	64.8
146.10692	1.4
147.08018	7.0
147.11659	61.9
149.05894	1.1
149.09605	4.7
149.13222	10.0
151.07620	1.2
153.09085	1.8
155.08549	4.7
156.09325	4.5
157.10094	25.9
158.10846	3.2
159.08032	2.5
159.11665	37.3
161.05939	1.2
161.09610	10.0
161.13226	21.4
163.07555	2.2
163.11188	7.6
163.14815	13.1
165.09132	1.4
165.12779	1.1
169.10117	9.8
170.10857	5.7
171.11665	18.1
172.12395	1.7
173.09673	3.1
173.13234	60.8
175.11220	4.7
175.14795	59.2
176.11987	1.4
177.09085	2.7
177.12756	5.2
177.16310	8.0
179.10692	1.7
179.14299	3.8
181.08643	2.5
181.10043	2.3
181.12160	1.2
183.11668	12.2
185.09671	1.9
185.13243	31.3
186.13756	1.2
187.11203	3.1
187.14786	72.9
188.15131	1.5
189.12698	13.6
189.16342	16.6
191.10658	2.6
191.14276	41.6
191.17851	2.4
193.10123	1.3
193.12221	1.6
193.15898	1.5
195.11702	2.7
195.13742	4.1
197.13251	9.7
199.11125	2.9
199.14787	37.7
201.12665	3.8
201.16348	61.1
203.10759	1.3
203.14272	16.2
203.17915	5.3
205.12172	1.7
205.15872	7.7
207.11800	2.3
207.13841	3.3
207.17372	1.7
209.13243	3.4
209.15210	1.6
211.14806	6.7
213.12932	1.3
213.16364	18.9
215.14272	9.5
215.17967	4.2
217.12239	3.7
217.15840	6.3
219.13814	6.9
219.17378	12.3
221.15353	2.2
223.14821	2.2
225.16399	3.5
227.17908	7.3
229.15822	3.2
229.19627	2.8
231.13759	3.1
231.17422	3.2
233.15248	6.4
235.13159	10.4
235.16896	1.6
237.16525	1.7
239.18024	5.1
241.19466	3.1
243.17479	1.4
245.15355	9.1
247.16916	4.8
249.14722	14.1
251.18124	1.7
253.19489	4.4
255.20985	1.7
257.15173	1.8
259.16956	6.8
261.14951	2.4
263.18027	2.0
265.19604	2.1
267.21082	4.9
271.20639	1.2
273.18527	2.0
279.21045	2.1
285.21918	1.5
307.24188	5.5
319.24338	1.2
321.25729	1.6
325.25107	1.9
335.23438	1.4
353.24588	8.6
363.26685	2.3
365.24710	1.7
371.25568	2.0
373.28973	5.2
375.30478	5.5
381.27844	3.6
383.25665	2.7
391.24997	2.3
391.29886	34.9
393.31387	10.6
401.28491	2.5
409.31158	16.2
411.32605	3.3
419.29407	27.1
420.29614	1.8
421.30936	3.0
427.32166	1.7
437.30457	57.7
438.31024	3.4
439.32074	3.4
447.29050	2.2
455.31516	27.7
465.30020	8.8
483.31021	15.2
501.32489	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	501.3203
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
52.51636	3.4
55.05491	10.4
57.07063	3.7
63.76902	3.5
67.05502	22.6
69.03423	4.2
69.07053	11.9
70.87680	11.0
79.05479	13.0
81.07043	41.3
83.04959	4.1
83.08613	8.2
85.06499	3.7
85.97965	4.0
91.05453	27.2
93.07035	41.6
95.04946	8.8
95.08585	54.8
97.06545	5.1
97.10123	4.5
99.08107	5.1
103.95614	3.7
105.07019	57.7
107.08582	66.8
109.06508	7.4
109.10143	33.2
111.08018	3.6
117.06947	10.4
119.08560	100.0
121.06497	6.7
121.10128	37.7
123.08051	7.9
123.11671	9.8
129.06981	7.5
131.08531	31.5
133.10107	54.7
135.08046	10.3
135.11697	22.3
137.05977	5.9
137.09592	8.3
142.07776	6.3
143.08513	20.8
143.78679	3.8
144.09369	4.9
145.10104	78.9
147.08055	5.5
147.11674	34.3
149.09644	6.7
149.13213	13.7
153.09045	5.6
155.08449	3.9
156.09348	4.8
157.10133	25.8
158.10938	6.2
159.11682	39.9
161.09592	12.9
161.13222	32.1
161.38135	4.0
163.07549	7.2
163.11151	14.5
163.14807	16.8
169.10118	13.0
170.10863	6.6
171.11668	27.7
173.09557	3.8
173.13246	56.2
175.11171	4.4
175.14803	88.4
177.16376	12.7
183.11685	12.8
185.13193	35.9
187.14781	57.0
189.12755	8.5
189.16351	24.4
191.14256	22.5
195.11674	5.8
197.13202	7.3
199.14780	30.7
201.12784	5.1
201.16350	53.0
203.14288	11.2
203.17943	8.8
205.15819	5.9
211.14825	8.1
213.16382	21.9
215.14345	7.9
215.17996	6.0
217.15907	9.0
219.13780	6.6
219.17615	4.2
223.16689	5.8
225.16280	5.6
227.17889	9.1
229.15814	5.9
229.19531	6.4
231.13776	6.8
231.17326	5.9
233.15317	6.9
235.13383	5.2
235.16852	6.2
237.14708	5.7
238.30322	3.7
241.19684	4.0
245.15346	9.0
247.16937	13.7
249.14700	5.1
251.18173	5.0
253.19286	4.3
259.16879	9.9
293.60153	4.0
373.28897	9.1
375.30493	11.8
391.29929	28.5
409.30753	18.8
411.32620	4.3
419.29407	30.1
421.30881	6.6
432.82129	3.8
437.30475	48.1
439.32278	5.5
455.31494	75.5
465.29926	14.6
483.30664	18.0
501.32053	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	501.3199
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
55.05495	10.5
57.07054	3.7
67.05480	11.4
69.07059	19.9
69.41901	31.1
69.42248	3.1
73.77561	2.7
77.03424	3.1
79.05466	11.4
81.07040	37.7
83.08604	7.6
84.33299	3.5
91.04966	3.2
91.05454	19.2
93.07022	31.8
95.04946	3.8
95.08588	50.6
97.06481	4.1
99.08085	3.6
100.11236	2.8
105.06377	4.8
105.07021	58.9
107.08567	49.4
109.06473	5.9
109.10124	32.8
111.08037	3.2
114.93295	2.9
117.07017	5.0
119.08565	100.0
121.06485	3.4
121.10118	44.6
123.08036	5.2
123.11664	13.4
123.51953	2.7
129.07002	4.6
131.08551	56.9
133.10115	58.8
135.07996	6.1
135.11667	20.4
143.08557	23.0
145.10117	67.5
147.07974	7.6
147.11668	36.7
149.09590	4.1
149.13268	17.6
155.08556	3.9
156.09328	7.9
157.10088	31.4
158.10823	5.8
159.11661	37.2
161.09563	9.2
161.13225	33.5
163.11140	10.1
163.14807	27.4
169.10086	6.2
170.10931	7.0
171.11656	19.5
172.12279	3.9
173.13220	60.6
175.11038	4.9
175.14804	77.2
176.12024	3.9
176.15149	3.4
177.12720	9.1
177.16333	17.9
179.14337	4.2
183.11667	9.6
185.13229	62.0
187.14787	85.4
189.12758	18.4
189.16367	32.5
191.14282	56.7
191.17899	12.3
193.15929	3.6
197.13194	5.8
199.14816	36.2
201.12827	3.4
201.16341	67.0
203.14328	27.1
203.17879	22.3
205.15843	11.7
207.13841	3.9
211.15045	3.1
212.85292	3.1
213.16287	21.5
215.14252	13.7
215.17851	4.9
217.15837	12.7
219.13824	6.4
219.17416	5.5
221.15233	6.4
223.14771	4.2
225.16222	3.6
227.17970	8.5
229.15820	6.8
231.13763	5.3
233.15494	6.2
235.13182	5.8
235.16866	6.2
241.19522	4.8
243.13646	5.4
243.17403	6.1
245.15256	7.3
247.16934	14.3
249.14804	22.0
253.19598	3.6
259.16794	4.3
261.14774	8.3
263.16443	4.5
267.21030	4.4
271.16989	5.8
307.23892	3.7
309.25821	5.0
353.24756	5.9
371.25677	10.9
373.28647	7.3
375.30252	8.0
381.27612	6.2
391.30057	22.7
393.31311	11.3
401.28494	3.9
409.31122	25.3
411.32480	13.0
419.29279	23.6
421.30664	9.6
437.30447	46.8
439.32043	5.6
447.28900	5.4
455.31442	38.7
457.33102	4.2
465.29971	9.5
483.31073	7.5
501.31866	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	501.3202
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
53.03928	2.4
53.68312	1.9
55.05498	8.2
67.05498	11.8
69.07066	10.2
69.51092	16.4
69.92333	1.7
79.05495	15.2
81.06574	2.1
81.07044	29.5
83.08601	7.7
85.06543	2.4
85.90669	1.6
91.05479	22.9
93.07031	38.0
95.04944	2.6
95.08595	43.8
97.06509	1.9
97.10127	1.8
98.20741	3.5
99.08082	12.5
105.07018	64.7
107.08582	54.4
107.62153	1.8
109.06493	5.1
109.10138	25.1
111.08051	3.5
115.05426	2.4
117.06978	6.4
119.08566	100.0
120.35202	1.7
121.06498	10.6
121.10127	31.9
123.08047	6.7
123.11678	6.4
124.41887	1.9
128.06207	2.6
129.06984	4.8
130.07748	4.3
131.08549	55.9
131.63792	1.6
133.10117	61.4
135.07996	6.0
135.11649	18.6
137.09583	5.3
142.07745	2.5
143.08562	18.0
144.09303	3.3
145.10109	65.1
147.07982	5.3
147.11668	62.5
149.09633	4.2
149.13231	8.0
151.07507	2.3
155.08546	5.9
156.09305	4.2
157.10095	27.4
158.10811	2.4
159.08046	3.4
159.11694	39.9
161.09637	10.7
161.13260	28.5
163.11162	4.8
163.14796	17.2
169.10092	6.2
170.10873	2.0
171.11671	20.1
172.12355	4.3
173.13237	60.9
175.11185	4.3
175.14798	53.0
177.12659	5.4
177.16347	6.2
179.14282	5.8
181.10088	2.8
182.10947	1.9
183.11707	11.8
184.12381	1.7
185.09593	1.9
185.13240	35.3
187.11197	3.9
187.14793	77.2
188.15135	3.0
189.12735	13.8
189.16330	14.0
191.10559	2.2
191.14268	39.3
193.15839	2.1
195.11714	4.7
195.13792	5.4
197.13190	8.7
199.14809	38.9
200.15321	1.8
201.12759	2.6
201.16357	72.0
203.14301	14.9
203.17958	4.4
205.15913	9.5
207.10129	1.8
207.13731	2.9
209.13231	3.0
211.14761	7.6
213.12692	2.4
213.16316	22.9
215.14336	9.1
215.17937	3.6
217.12137	3.1
217.15839	6.7
219.13794	7.2
219.17401	13.6
221.13297	2.2
223.14806	4.4
225.16229	4.8
227.17937	7.1
229.15881	6.6
229.19402	3.4
231.13783	3.8
233.15334	4.1
235.13164	11.5
237.14600	2.6
239.18039	4.6
241.19510	2.8
245.15318	7.3
247.16946	7.9
249.14731	15.2
251.18034	3.3
253.19449	4.3
255.21045	2.5
259.16824	5.6
265.17673	2.3
267.21127	4.2
305.22540	2.2
307.24133	5.9
309.25931	3.0
353.24658	12.4
361.99545	2.0
363.26852	3.2
373.28748	8.1
375.30286	6.5
383.26013	2.5
391.29959	33.8
393.31516	12.7
401.28214	2.8
403.29999	2.0
409.31046	20.3
411.32452	5.4
419.29382	29.0
421.30811	3.8
427.32043	2.6
437.30441	66.0
438.30643	3.5
439.32043	4.1
455.31512	35.7
456.31952	2.2
465.30020	12.2
483.31033	16.7
501.32141	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	501.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01860	6.7
55.05503	26.6
57.03421	7.4
57.07064	11.7
59.04990	4.0
61.02922	4.0
65.03935	5.0
67.05492	33.4
67.55424	3.7
69.03419	48.6
69.07059	37.2
71.04980	44.8
71.62961	6.6
73.02908	3.5
73.06552	4.9
79.05486	29.4
81.03403	13.2
81.07043	100.0
82.07373	4.4
83.04967	12.7
83.08604	8.2
85.02889	27.3
85.06528	13.6
91.05468	33.0
93.07029	64.3
95.04950	24.4
95.08048	4.5
95.08601	55.8
97.02883	12.5
97.06514	22.6
97.10155	9.2
99.04436	10.9
99.08076	18.6
101.05986	4.5
105.07013	79.0
105.07673	6.0
107.04951	5.7
107.08574	75.4
108.08963	3.3
109.02859	7.3
109.06496	34.1
109.10138	63.2
111.04436	9.4
111.08080	10.5
111.11683	3.6
113.06007	3.7
117.07008	11.0
119.08564	66.8
121.06490	13.3
121.10127	40.7
123.04379	3.8
123.08088	18.8
123.11690	28.2
125.05978	7.1
125.09613	35.6
127.03899	10.4
127.07519	6.6
127.11185	60.4
129.05513	3.9
129.06964	6.0
130.08632	4.2
131.08554	29.7
133.06468	8.5
133.10114	92.1
135.08037	18.1
135.11684	25.8
137.05959	21.3
137.09618	16.9
137.13216	5.9
139.07529	5.7
139.11148	13.1
141.09073	25.8
142.07774	4.4
143.08583	16.9
143.10608	3.6
145.04985	4.7
145.06453	3.4
145.10107	45.8
147.04306	3.4
147.08025	6.5
147.11685	40.7
149.05975	3.9
149.09596	10.9
149.13214	8.4
151.07544	7.7
151.11182	58.2
153.01836	8.8
153.05414	6.3
153.09128	7.0
153.12679	6.2
155.10658	36.6
156.09303	4.4
157.10135	22.8
159.07967	4.6
159.11636	37.5
161.05927	4.9
161.09601	13.1
161.13223	18.8
163.07542	5.0
163.11176	15.9
163.14815	7.3
165.09123	10.7
165.12747	16.2
167.07008	15.1
169.10062	9.7
169.12268	5.3
170.10951	3.8
171.08029	3.9
171.11649	16.4
173.09644	6.9
173.13255	29.4
175.11172	12.8
175.14816	30.2
177.12747	11.1
177.16342	6.9
179.10738	5.0
181.12265	6.0
183.11696	10.2
183.13782	19.2
185.13251	18.1
187.11209	6.7
187.14830	32.0
189.12695	14.0
189.16367	15.6
191.10678	5.4
191.14296	12.7
193.08640	4.6
193.12262	7.2
193.15826	23.1
195.10062	4.1
195.13785	5.7
197.13307	8.5
199.11218	4.7
199.14772	25.4
201.09042	4.2
201.16422	16.9
203.14305	10.4
203.18011	8.3
205.12299	4.3
205.15845	12.4
207.13779	10.3
209.13341	3.9
211.14847	8.9
213.16350	11.1
215.10715	3.4
215.14215	5.0
217.12227	3.5
217.15822	25.3
219.17416	4.4
221.15317	61.2
223.16876	4.2
225.16341	5.5
229.15976	5.5
233.15385	6.2
235.13181	5.3
235.16919	5.5
239.16373	12.5
245.15468	5.2
247.16911	4.9
255.14014	3.5
267.20969	4.8
271.09714	3.7
275.23715	5.0
285.22137	27.9
303.20001	2.9
303.23138	76.4
304.23502	4.6
321.20654	5.8
321.24228	87.5
339.25150	7.4
380.00244	3.6
391.30002	5.9
409.30615	4.1
419.29684	4.9
429.29922	4.7
437.30353	14.2
439.31894	4.9
455.31512	14.2
483.30591	11.3
501.24503	3.3
501.31747	33.9
502.30939	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01853	1.2
55.05495	2.0
56.78620	0.4
57.03431	3.1
57.07066	0.8
59.04972	0.7
61.02916	1.2
67.05488	2.8
67.45472	0.5
69.03423	7.5
69.07054	3.5
71.04990	3.4
71.62589	0.6
73.02890	0.8
79.05481	4.0
81.03408	3.0
81.07046	5.2
83.04966	5.3
83.08625	0.8
85.02897	10.1
85.06519	2.1
87.04414	0.8
91.05468	3.0
93.07033	6.2
95.04940	1.7
95.08590	5.3
97.02887	4.2
97.06491	1.5
99.04443	1.8
99.08074	1.0
105.07018	14.9
107.04922	1.8
107.08578	7.1
109.02830	1.7
109.06497	3.1
109.10133	4.3
111.04457	0.6
111.08080	1.0
113.02345	0.7
113.05981	0.8
117.05437	1.0
117.06995	1.7
119.04932	1.6
119.08561	10.6
121.02855	0.5
121.06506	3.6
121.10134	6.0
123.04354	0.6
123.08064	2.7
123.11674	2.0
125.05944	1.0
127.03909	3.7
127.07507	0.6
127.11185	0.8
129.06979	1.1
130.07791	0.6
131.07034	4.6
131.08583	4.0
133.06482	3.1
133.10118	6.1
135.08032	2.2
135.11667	3.2
137.05981	2.9
137.09563	2.7
139.11183	0.8
141.31804	0.5
142.07709	0.6
143.08502	2.9
144.09346	0.9
145.04956	1.7
145.06493	0.9
145.08949	0.8
145.10103	8.5
147.04376	1.2
147.07993	4.6
147.11668	9.4
148.64774	0.5
149.05876	0.8
149.09599	2.4
149.13213	0.8
151.07501	3.2
151.11166	0.6
153.01782	1.4
153.05539	0.5
154.02168	0.7
155.10619	0.8
156.09329	2.5
157.10052	0.9
159.08046	0.9
159.11676	7.3
160.08820	1.7
161.05952	0.8
161.09595	3.8
161.13242	4.6
163.09819	1.1
163.11165	18.1
164.41946	0.5
165.12712	0.6
167.07043	1.5
169.10062	0.6
171.11664	4.3
173.09615	1.2
173.13202	1.4
174.10396	0.7
174.98102	0.5
175.07616	0.9
175.11127	0.7
175.14787	0.9
176.11960	0.6
177.07599	0.6
177.09174	0.6
177.12726	17.4
178.13065	0.5
179.10629	0.7
181.08571	1.6
185.13194	0.9
187.07513	0.9
187.11119	1.1
187.14752	1.1
189.09052	0.7
189.12709	6.4
191.10638	1.5
191.14279	2.3
193.12201	0.7
195.10088	0.6
197.11656	0.6
199.14728	0.6
201.12715	0.6
201.16455	0.7
205.12241	0.7
207.13774	100.0
208.14151	2.5
209.11754	0.6
211.13213	0.6
215.10652	0.8
217.15923	0.6
219.13708	0.6
227.12697	1.1
233.11678	0.8
235.13373	0.6
242.32613	0.5
247.16772	0.8
262.44586	0.5
285.22083	0.9
303.23047	1.9
321.11395	0.9
321.24121	1.1
335.09348	1.0
339.25226	0.6
345.66437	0.5
369.18948	1.9
443.22794	0.6
447.31387	0.7
483.30734	0.6
501.23141	11.1
512.04498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97408	0.7
53.03935	1.2
55.01855	1.1
55.05492	2.8
57.03425	3.3
57.07058	0.6
59.04979	0.8
61.02896	1.6
65.03913	0.8
67.05482	4.6
69.03419	6.3
69.07064	4.2
69.71860	3.8
71.04973	3.2
71.32934	0.6
73.02882	0.8
76.02737	0.6
79.05481	3.1
81.03420	3.6
81.07035	7.1
83.04961	6.1
83.08573	0.8
85.02897	9.5
85.06522	1.8
87.04427	0.7
88.51093	0.6
91.05450	4.6
93.07028	6.8
95.04946	2.4
95.08607	5.9
97.02876	4.8
97.06506	1.4
97.10150	0.9
99.04407	2.3
99.08094	1.2
105.07018	17.2
107.04936	1.8
107.08574	7.2
108.36630	0.6
109.02859	2.1
109.06523	3.4
109.10130	4.8
111.08035	1.8
115.05418	0.9
117.05442	1.7
117.06981	1.8
119.04887	1.9
119.08559	11.5
121.06496	4.7
121.10126	6.9
123.08025	4.0
123.11682	2.4
125.05984	0.8
125.09612	1.0
127.03894	3.7
127.07540	1.0
128.06116	0.9
129.06969	1.8
131.04871	1.3
131.07014	3.6
131.08505	3.7
133.06456	2.9
133.10106	6.0
135.08043	2.6
135.11646	2.8
137.05968	3.2
137.09572	2.6
139.07460	0.8
139.11150	0.7
142.07724	0.9
143.08507	2.9
144.09280	1.2
145.04930	1.1
145.06485	0.9
145.10118	10.0
147.04388	1.4
147.07964	3.5
147.11679	9.1
149.09586	2.4
149.13248	1.0
151.07516	3.8
151.11081	1.1
153.01797	1.0
156.09326	2.8
157.10139	1.2
159.07988	1.6
159.11661	8.7
160.08841	2.8
161.05957	1.3
161.09624	5.5
161.13225	5.0
163.07439	0.8
163.11150	20.3
165.12688	1.2
167.06958	1.4
169.08595	0.8
169.10150	1.0
171.07889	0.7
171.11655	5.4
173.09616	1.1
173.13260	1.4
175.07451	1.0
175.11069	0.7
176.11905	1.2
177.05479	0.8
177.12723	20.3
181.08511	0.9
185.13193	0.8
187.07504	0.8
187.11182	1.6
187.14839	1.2
189.12720	8.1
191.10782	0.9
191.14307	3.1
199.14781	0.9
204.77768	0.7
207.13771	100.0
208.14047	2.3
217.12224	0.7
217.15924	0.7
235.97366	0.8
247.16751	0.8
252.15944	0.6
303.23196	2.3
321.24124	1.5
335.09598	1.2
369.18912	1.7
435.80692	0.8
478.69379	0.8
501.23022	10.8
501.29199	1.0
503.71881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76931	0.4
52.48530	0.4
55.01835	0.4
55.05490	0.7
57.03417	1.5
59.04969	0.7
61.02916	0.7
63.68233	0.4
67.05492	2.0
69.03416	4.3
69.08461	0.5
70.89548	0.4
70.93267	0.9
70.93646	0.8
71.04981	35.9
72.05323	0.5
73.02907	0.8
75.04461	1.0
81.03402	2.6
83.04976	2.5
85.02888	4.8
85.06531	5.5
86.27522	0.4
87.04443	0.5
89.06017	0.5
91.05450	0.5
95.04946	3.4
97.02880	3.9
97.06537	0.5
99.04407	1.0
103.07583	0.6
105.07008	0.5
107.08585	0.5
109.02861	2.5
109.06448	0.6
111.04361	0.4
113.05982	8.7
113.63692	0.4
119.08595	0.6
123.08053	0.6
123.11702	1.3
127.03901	5.2
127.07532	18.0
131.07024	15.0
131.07761	0.4
137.05992	0.6
141.05411	0.7
145.08574	100.0
146.08951	2.1
147.09026	0.9
149.08072	1.9
149.09570	0.7
153.01820	1.0
153.05515	0.4
155.07034	1.1
159.06531	0.6
167.09138	1.1
173.08060	3.2
177.07565	0.9
187.06050	0.9
189.12703	1.4
191.09129	10.2
192.09361	0.4
207.13808	2.1
229.21278	0.4
257.10208	1.2
275.11356	0.6
299.11230	1.1
311.13474	0.7
317.12271	3.3
321.17184	0.7
335.13269	8.0
336.13635	0.6
339.18155	0.5
383.29236	0.5
405.17493	0.9
441.11951	0.5
447.18591	1.7
465.19553	2.1
501.23782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
57.03422	1.9
59.04986	0.9
62.48975	0.6
65.03951	0.7
67.05488	2.1
69.03425	3.6
70.40996	2.2
70.41407	1.5
71.04984	42.3
72.43430	0.6
73.02914	0.8
79.05472	0.9
79.52043	0.6
81.03397	3.1
81.07007	0.8
82.26500	0.6
83.04964	2.7
84.04445	0.7
85.02897	4.6
85.06535	6.0
91.05447	0.8
93.07043	0.7
95.04963	3.2
95.08563	1.1
97.02866	3.7
105.07001	1.7
107.08573	1.2
109.02874	3.5
113.05996	8.6
123.08059	1.8
125.06017	0.8
127.03879	5.1
127.07539	19.4
131.07022	15.5
141.05478	1.2
145.08585	100.0
147.04443	0.9
147.11583	0.8
149.08086	1.9
149.09583	2.0
151.07573	0.8
153.01826	1.5
167.09081	0.9
167.99176	0.8
173.08090	2.1
174.10446	0.7
187.06097	0.7
189.12700	2.6
191.09149	11.4
207.13737	5.5
241.19536	0.7
257.10303	1.7
299.11230	1.0
307.05493	0.7
317.12347	3.1
335.13306	7.8
339.18036	1.4
405.17670	0.8
434.95493	0.7
447.18399	1.7
465.19580	2.6
472.29398	0.7
501.23386	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03145	0.8
55.05489	3.1
57.03423	1.2
57.07064	34.1
67.05487	3.7
69.07061	5.9
70.80461	2.0
71.08620	44.7
73.06549	6.3
79.05495	3.8
81.03412	2.8
81.07040	5.2
83.04953	1.5
83.08601	2.4
87.04449	5.7
89.01362	0.7
89.06017	100.0
91.05466	4.2
93.07017	5.4
95.04956	2.6
95.08594	3.1
105.07000	3.5
107.07051	4.7
107.08580	3.4
109.10143	2.7
113.13271	4.1
117.06995	1.3
117.09122	5.5
119.08575	3.9
121.10157	2.5
130.08595	4.6
130.20476	0.7
131.07022	1.6
131.08578	1.4
133.08582	50.4
133.10175	2.6
135.10201	0.8
135.11691	3.2
143.08630	1.3
145.10121	2.7
147.11687	1.7
157.10146	2.0
157.15868	6.8
159.11659	0.9
161.11736	1.6
161.13226	1.4
171.11761	1.1
173.13313	1.2
175.11110	0.9
175.14799	1.1
177.11203	20.8
185.13206	0.9
187.14793	2.1
193.12236	1.9
198.18517	1.8
201.16592	1.2
201.18445	19.2
211.13284	2.2
221.13864	5.3
239.14975	1.7
245.21104	11.2
255.15945	4.7
260.55347	0.7
265.16513	1.8
267.15732	1.0
283.17590	2.8
285.16998	1.5
313.61768	0.8
315.82010	0.7
327.20175	1.2
351.27380	1.1
371.22690	9.2
395.29907	1.1
403.24600	0.7
412.07361	0.8
423.43918	0.8
437.30402	0.9
439.32761	1.5
447.27435	2.9
455.31781	1.2
465.28336	7.5
483.35367	26.9
484.35965	1.1
490.25183	0.8
500.30823	1.7
500.37854	4.2
501.32257	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	500.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59671	0.2
55.05479	0.2
56.05017	0.3
57.03429	0.5
57.63512	0.2
58.06591	0.4
58.35173	0.2
59.05000	0.3
59.07373	0.4
60.07873	0.4
60.08156	5.7
61.02927	0.2
65.92219	0.2
67.05483	0.6
69.03421	0.6
69.07050	0.6
70.06578	0.5
71.04633	0.3
71.04986	3.5
71.07365	1.9
71.62320	0.4
76.45557	0.2
79.05479	0.4
81.03407	1.0
81.07056	0.6
83.04967	0.3
85.02879	0.6
85.06525	0.9
86.09696	26.8
90.68633	0.2
91.05461	0.5
93.07035	0.4
95.04951	0.4
95.08580	0.3
97.02882	0.7
97.06512	0.3
98.98442	1.6
103.36270	0.2
103.49924	0.2
104.10739	2.7
105.06980	0.5
107.04911	0.3
107.08575	0.2
109.02843	0.4
109.06461	0.2
113.06001	0.7
119.08572	0.3
121.10149	0.4
124.99990	17.1
127.03880	0.7
127.07512	1.8
131.07048	1.1
131.08560	0.5
137.05942	0.5
141.05399	0.3
145.04906	0.2
145.08585	8.2
147.09108	0.3
147.11650	0.2
149.09654	0.3
153.01808	0.4
155.07004	0.3
161.05934	0.2
163.11205	0.2
167.07027	0.4
173.08086	0.3
181.04916	0.4
184.07320	100.0
185.07681	0.9
191.09294	1.3
191.14258	0.3
207.13809	1.0
317.12253	0.5
335.13336	1.1
378.34625	0.2
432.21414	1.2
450.22461	11.6
451.22711	0.5
482.25659	0.3
500.19937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
58.06571	0.4
60.08160	4.3
60.98566	0.4
62.36293	0.4
63.36647	0.4
67.05488	1.3
69.03410	2.6
69.07059	0.9
71.04980	34.0
71.07360	1.4
71.13877	1.0
73.02911	0.5
78.71127	0.6
79.05490	1.0
81.03407	3.5
81.07037	1.0
83.04945	0.8
85.02885	1.9
85.06532	5.7
86.09694	18.5
87.04422	0.6
91.05441	0.8
93.07038	0.5
95.04949	1.9
95.08582	1.1
97.02876	3.0
97.06485	0.8
98.98456	0.6
99.04419	0.8
100.68089	0.5
104.10729	35.8
105.07010	0.8
107.08546	0.7
109.02895	2.6
113.06000	5.8
116.95755	0.5
119.08488	0.5
121.10162	0.9
124.99991	9.6
127.03927	3.5
127.07538	17.8
131.07022	10.4
131.08539	0.5
133.06453	1.7
133.10094	0.6
137.05997	1.1
139.91455	0.4
145.04906	1.7
145.08575	100.0
146.08884	0.9
147.11714	0.6
151.03891	0.5
153.01852	0.6
155.06985	0.8
163.11154	0.6
167.07082	0.5
173.08040	4.0
184.07317	35.6
185.08080	0.8
191.09132	18.9
191.14244	0.9
193.12141	0.5
207.13762	1.1
244.96971	0.4
257.10211	1.1
267.15744	0.6
275.11270	0.8
284.76971	0.5
299.11115	1.3
317.12241	4.2
335.13339	10.7
362.68762	0.6
432.21631	2.2
447.18848	1.1
450.22458	23.5
465.19574	1.4
500.20193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33345	1.8
53.03932	6.2
55.01857	4.8
55.05503	29.7
57.03429	25.1
57.07058	8.6
60.08158	3.1
61.02918	62.6
65.03938	2.4
67.05495	82.8
69.03080	2.0
69.03424	33.0
69.07057	38.6
71.01342	7.4
71.04980	6.4
71.08611	2.0
72.62106	1.8
73.02908	28.6
79.05481	26.3
81.03408	21.9
81.07044	96.3
83.04967	5.8
83.08603	21.8
85.02892	63.7
85.06523	4.3
86.09699	11.4
87.04465	3.8
87.10007	5.9
91.03938	44.2
91.05465	19.7
93.07036	36.5
95.04950	5.7
95.08593	68.4
96.78650	1.9
97.02876	52.1
97.06516	5.3
97.10159	9.3
99.04450	10.2
99.08061	3.7
101.02348	11.4
103.03934	9.3
104.10708	22.6
105.07020	17.8
105.11050	9.3
106.11221	2.6
107.04862	2.7
107.08594	23.5
109.02862	10.4
109.06531	5.0
109.10142	32.8
111.04462	3.0
111.08037	4.2
111.11746	2.8
114.26545	2.0
115.03897	5.9
117.05521	3.6
117.06995	3.1
119.08559	21.6
121.10123	19.4
123.08083	4.7
123.11675	12.7
124.99982	5.7
125.09622	3.2
127.00391	3.1
127.03897	24.4
129.05457	3.8
131.08566	6.0
133.10098	16.5
135.11662	11.7
137.09621	3.4
137.13220	7.7
139.53688	2.1
143.08540	4.9
145.04886	10.8
145.10115	7.6
147.11667	13.4
149.13228	10.0
151.11243	3.0
151.14787	5.7
155.08485	2.3
159.06499	2.5
159.11720	9.6
161.13228	9.1
163.14763	9.8
165.16379	2.2
171.11632	2.5
173.13362	3.8
175.14793	6.0
177.16356	2.3
183.06490	7.8
184.07266	13.2
185.07683	7.3
185.13176	3.1
186.07774	10.6
187.08017	3.1
187.14687	3.5
189.16220	4.9
197.13406	2.9
200.47314	2.1
201.07579	4.4
206.80722	2.0
217.15826	2.0
229.15916	2.2
245.22659	12.7
261.22232	3.1
263.23648	29.2
269.17322	4.3
270.17633	3.2
275.85156	2.1
305.24814	2.5
337.27332	100.0
338.27844	5.2
365.26819	2.3
371.26028	4.4
389.27243	3.1
407.27997	2.4
409.19754	2.2
426.85980	2.3
445.29504	2.2
463.30475	4.8
464.30740	7.8
481.32101	8.2
499.32874	52.1
500.32468	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	499.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
53.45473	1.5
55.01865	5.8
55.05503	31.3
56.89894	1.5
57.03432	26.7
57.07061	7.2
57.27100	1.7
61.02919	54.6
65.03928	2.0
66.35815	1.3
67.05495	81.0
67.36405	1.4
68.05809	1.8
68.99784	1.5
69.03067	2.8
69.03422	33.9
69.07061	36.6
70.77681	4.4
71.01324	6.4
71.04982	6.0
71.08606	2.9
73.02906	27.5
79.05485	29.0
81.03405	20.8
81.07045	94.8
82.07378	1.9
83.04973	7.1
83.08600	24.0
85.02894	59.2
85.06526	3.2
87.04454	4.0
91.03948	33.4
91.05463	25.9
93.07026	38.2
95.04962	7.5
95.08595	75.0
97.02876	48.0
97.06522	6.2
97.10149	12.1
99.04435	9.3
99.08086	3.8
101.02365	11.1
103.03928	10.1
105.07022	22.1
107.04927	3.9
107.08586	26.5
109.02869	10.7
109.06507	3.3
109.10152	31.7
111.04429	4.3
111.08055	5.2
111.11703	3.7
113.09650	2.8
115.03934	5.3
117.05504	3.2
117.07012	5.8
119.08578	21.0
121.10141	21.9
123.08063	4.5
123.11689	14.4
125.09626	3.4
127.03905	21.7
129.05461	6.2
129.06982	3.8
131.08536	8.3
133.10109	19.1
135.08060	2.7
135.11678	13.0
137.09586	2.5
137.13245	5.9
142.07820	1.6
143.08557	3.4
145.04881	8.4
145.10121	8.2
147.08022	2.6
147.11676	15.0
149.09608	2.2
149.13252	8.7
151.11203	3.8
153.12750	2.2
157.10100	3.5
159.06419	1.7
159.11664	4.5
161.13258	9.9
163.11163	1.9
163.14803	6.1
165.12721	4.2
165.16348	2.6
171.06590	1.9
171.11668	4.0
173.09550	1.8
173.13229	3.8
175.11105	2.6
175.14757	9.9
177.12698	2.1
177.16342	2.5
179.14296	2.5
183.06535	7.0
185.13164	4.3
187.14828	2.5
189.16380	5.8
190.69804	1.6
191.14418	2.2
191.17935	1.9
199.14769	2.3
201.07556	5.4
201.16447	2.6
217.19466	1.7
233.15231	3.1
245.22676	13.3
261.22260	2.4
263.23672	27.9
303.23163	2.8
305.24686	3.0
329.24585	2.4
335.26157	2.6
337.27310	100.0
338.27750	3.1
353.24396	2.4
365.26843	4.6
371.25677	6.7
389.26889	2.7
407.27774	2.7
433.29660	2.0
445.29211	3.8
459.49677	1.8
463.30463	6.2
464.30722	2.8
481.31778	10.2
499.32715	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39176	0.3
54.53409	0.3
67.05501	0.9
68.20551	0.3
69.03428	1.8
71.04984	29.4
71.22377	0.8
73.22478	0.4
81.03415	1.8
83.04946	0.4
85.02895	2.5
85.06526	3.9
95.04944	1.3
97.02874	2.3
99.04457	0.6
102.52668	0.4
109.02862	2.3
112.07612	0.7
113.05988	4.8
127.03923	3.0
127.07526	14.5
131.07019	11.4
141.05429	0.6
141.07320	0.4
145.08578	100.0
146.08885	1.5
153.01799	0.6
155.07019	0.8
173.08067	3.4
190.40120	0.4
191.09117	11.4
191.10820	0.8
257.10162	0.8
299.11234	1.0
317.12247	1.9
335.13324	4.1
485.13394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.01861	0.7
57.03405	0.5
65.17514	0.5
67.05489	1.3
69.03413	2.6
70.02362	1.1
70.02769	1.3
71.04984	35.1
81.03412	2.6
85.02885	3.5
85.06535	4.5
95.04968	1.1
97.02874	2.0
99.04438	1.0
101.66512	0.5
103.07520	0.5
109.02890	2.5
113.05988	5.5
127.03911	4.2
127.07542	15.7
131.07024	12.8
145.08577	100.0
146.08917	1.1
153.01810	1.1
155.07080	0.7
168.46700	0.5
173.08090	2.9
187.05977	0.5
191.09122	11.8
215.91467	0.5
257.10416	0.6
275.11221	0.7
299.11090	1.1
317.12186	1.8
319.12357	0.6
319.16031	0.7
335.13342	4.6
441.23267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73595	0.7
56.96539	1.3
57.03400	1.0
58.99851	1.2
69.03419	2.2
69.32392	9.8
81.03405	1.7
82.99847	2.5
83.46038	0.9
85.01400	1.0
85.02894	4.9
94.99836	1.1
97.02866	2.9
98.97576	2.8
101.00867	12.8
103.02423	2.8
109.02855	1.0
113.00867	3.5
116.98616	1.4
119.01910	26.5
121.03481	1.8
127.02409	9.6
127.03871	2.1
129.03952	1.9
131.01888	15.6
133.03462	2.4
137.02954	3.1
139.02373	3.4
142.03477	1.3
143.01878	23.2
144.02054	1.4
145.03447	48.6
146.03511	1.5
147.01349	3.3
147.04991	1.3
149.02951	3.8
153.01837	1.7
153.04041	0.9
155.01872	28.6
157.03445	18.4
158.99611	1.0
159.05011	1.6
161.02936	27.0
163.04553	6.4
167.01865	10.1
169.03467	5.6
171.01402	8.3
171.05064	5.1
173.02946	48.8
174.99168	2.1
175.04578	4.8
179.01878	3.8
181.03395	1.7
181.05594	1.5
183.01341	1.1
185.02937	52.5
186.03061	2.6
187.04524	7.9
189.00748	1.3
189.02405	9.2
189.06061	1.3
191.03986	3.0
193.00200	2.7
196.04637	1.6
196.26854	0.8
197.02940	17.2
199.00926	4.3
199.04535	3.2
201.00594	1.4
201.02350	1.6
203.03987	17.8
205.01683	0.9
205.05460	2.6
208.04625	1.4
209.02933	3.9
211.04619	1.7
215.03973	13.1
217.01917	54.8
217.05505	3.8
218.02046	1.0
219.01767	1.7
221.05013	7.6
227.03972	8.7
229.01944	10.1
229.05536	3.1
235.02995	17.4
237.02725	1.8
239.04028	1.4
239.29796	0.9
241.05576	1.0
245.05049	100.0
246.05220	2.6
247.02950	10.2
247.06636	3.1
253.01625	1.1
253.04086	1.8
257.05042	12.8
258.04840	1.6
259.02408	1.3
261.02774	2.4
263.06097	13.3
265.03976	2.1
271.02884	0.9
275.06027	11.0
276.02023	1.3
277.04025	20.2
279.03799	1.3
293.07196	4.0
301.04010	10.8
303.01358	4.8
305.07153	8.8
307.08755	7.4
319.05112	27.5
335.08130	5.9
337.06134	35.0
337.09570	1.2
338.06268	2.1
351.11295	4.8
365.09235	12.0
383.09732	1.1
397.01291	1.2
409.04947	2.1
481.09845	2.3
499.11282	55.8
500.11505	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32620	1.3
55.79072	1.4
66.25653	1.4
69.80703	7.7
69.81109	2.4
82.99855	2.0
95.11452	1.5
101.00848	11.2
103.02455	4.4
113.00835	2.7
119.01909	24.3
127.02409	8.7
131.01897	13.7
137.02936	1.7
139.02394	2.6
143.01881	21.1
145.03447	52.9
147.01358	3.2
149.02959	2.0
155.01886	23.1
157.03459	16.8
159.36694	1.5
161.02948	26.1
163.04497	8.2
167.01918	9.1
169.03474	4.3
171.01434	5.9
171.05031	4.5
173.02945	51.8
174.03056	1.7
175.04498	5.6
179.01970	4.6
183.01434	1.8
185.02939	53.0
185.04561	2.7
187.04532	6.1
189.02446	7.9
191.04028	2.8
193.01958	1.5
197.02925	18.8
199.00862	3.8
199.04501	2.1
201.02495	2.3
203.04002	12.5
208.04456	1.9
209.02907	3.1
215.03983	12.0
217.01917	54.5
217.03946	2.9
221.05093	5.6
227.03897	11.4
229.01883	10.2
229.05585	2.2
235.02972	20.3
239.03844	2.3
245.05048	100.0
246.05319	3.8
247.02989	14.9
247.06708	2.3
257.05042	13.5
259.02930	2.0
263.06158	14.0
265.03986	2.6
275.03305	2.3
275.06064	15.8
275.08597	1.8
277.04062	20.2
293.07199	6.8
301.03940	9.1
305.07129	8.7
307.08701	1.9
319.05103	34.2
320.05322	1.9
335.08093	7.2
337.06085	42.9
337.09842	3.1
338.06409	1.8
365.09253	17.3
383.10654	2.1
390.90152	1.9
481.09775	2.2
499.12946	62.4
500.11996	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	498.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01852	2.7
55.05512	10.3
56.48465	1.7
57.03416	8.4
57.07077	2.2
61.02908	3.7
67.05495	40.6
69.03407	2.9
69.07056	16.9
69.68190	4.9
69.68600	8.4
73.02898	2.8
74.21073	1.5
79.05482	23.8
81.07047	54.4
83.05014	4.0
83.08614	13.0
85.02871	4.7
85.06499	2.6
91.03942	3.3
91.05479	16.6
93.07024	31.3
95.04943	3.8
95.08595	20.2
97.02874	5.5
97.06529	6.8
98.21479	2.4
103.03925	2.5
105.07020	10.5
107.08582	21.8
109.06479	2.4
109.10145	11.5
111.08084	5.3
117.07006	8.9
119.08549	7.2
120.40196	1.8
121.06490	2.3
121.10149	11.6
123.11665	5.3
127.03966	2.0
131.08546	10.6
131.55360	1.8
133.10112	13.6
135.08038	2.2
135.11688	6.6
143.08537	2.6
145.10069	2.9
147.11644	3.5
149.09573	1.9
149.13216	14.2
157.10114	4.2
159.11687	8.0
162.81778	1.7
169.10115	2.0
171.11694	2.6
177.12747	2.7
183.11665	3.4
185.13264	2.7
195.13757	9.2
199.14700	2.2
251.16376	1.9
263.23779	2.1
269.17432	53.6
269.20166	3.7
285.47772	2.0
337.27292	7.6
353.24493	2.6
356.07248	1.9
371.26038	4.1
389.26889	2.4
445.29343	15.9
457.87112	2.3
463.30496	100.0
464.30695	3.9
472.31677	2.2
481.31165	2.1
498.30423	2.3
499.31876	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	499.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.9
56.96548	2.6
57.03423	7.6
61.02913	5.7
69.03422	26.7
71.61904	3.4
73.02899	4.9
81.03411	7.1
85.02892	48.6
87.04469	4.1
91.03950	2.5
97.02883	27.0
98.03207	2.6
98.97593	4.6
99.04455	5.3
101.00825	12.9
103.02426	3.5
109.02847	5.5
112.76539	2.0
115.02445	4.2
115.03915	3.1
116.98666	2.3
119.01909	29.2
121.01635	2.6
121.03564	2.8
127.02389	6.5
127.03883	20.7
131.01884	20.8
133.01828	2.9
133.03459	6.6
135.03247	3.1
137.02942	3.1
143.01875	23.5
145.03453	34.8
145.04929	9.6
147.01338	3.1
147.04994	3.2
149.02966	3.8
149.04730	3.0
153.01811	4.2
155.01874	24.5
157.03438	20.2
159.05090	4.2
161.02946	31.2
161.05592	3.2
161.55692	2.5
162.03127	2.7
163.02711	3.9
163.04517	8.3
167.01888	9.4
169.03468	6.9
170.06007	2.6
171.01366	7.0
171.05020	8.6
173.02951	47.4
173.04471	3.1
174.03049	3.7
175.02930	2.4
175.04539	8.6
183.05051	3.2
185.02943	46.1
187.04524	4.0
189.02336	5.6
189.06071	5.1
196.04720	2.9
197.02945	16.6
199.04411	3.3
202.55019	2.5
203.04028	16.4
203.05627	3.4
205.03793	3.4
205.05669	4.7
212.01190	2.5
213.06154	3.0
215.03979	10.9
217.01909	36.2
217.05605	6.4
219.01776	5.3
219.07024	5.8
221.04987	14.1
227.01981	3.4
227.04015	9.1
229.01945	7.0
231.07121	4.9
235.02985	17.7
235.15961	2.1
237.02805	3.2
241.01549	4.7
242.58267	2.7
245.02530	5.0
245.05052	100.0
246.00818	3.0
246.05261	6.0
247.02890	11.1
247.06715	4.5
249.01312	3.0
249.52631	2.1
251.08620	3.9
255.01332	8.2
257.05051	10.1
259.02469	4.6
259.06711	3.1
261.08179	4.4
263.05917	10.3
264.01923	5.2
265.04123	2.7
267.01208	2.8
275.05984	12.9
276.01849	4.8
277.03879	26.2
282.51978	2.5
284.06589	2.7
288.02029	4.4
291.09320	5.6
292.45844	2.2
293.09222	6.3
297.02402	10.0
301.03922	8.0
303.01361	8.1
305.07220	13.0
306.02927	5.6
307.08810	3.8
314.95151	2.7
315.03363	3.3
319.05173	24.1
319.08716	4.9
321.10181	13.4
322.10532	6.1
323.10181	4.9
325.07947	3.9
327.03244	2.6
333.10535	4.7
335.08148	5.2
335.11725	3.5
336.04114	2.9
337.06140	32.6
337.09842	3.8
339.03467	3.8
351.11362	12.7
352.11459	2.7
353.11389	4.8
365.09259	13.8
387.05627	3.0
388.04269	2.8
400.04895	3.4
409.05084	26.7
409.55066	10.4
410.04996	3.0
418.05682	25.3
418.55560	7.3
451.02597	6.1
481.08978	2.5
499.13931	71.4
509.01849	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	498.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05482	0.6
57.03411	0.3
57.07051	0.2
66.63921	0.2
67.05493	1.4
69.03402	0.3
69.07053	0.5
69.65923	1.9
70.06552	0.3
71.04967	0.7
79.05479	0.6
81.03413	0.4
81.07045	2.9
83.04946	0.3
83.08591	0.5
85.02890	0.6
85.06523	0.4
91.05481	0.7
93.07031	1.0
95.04918	0.4
95.08582	0.7
97.02871	0.3
97.06554	0.3
105.07010	0.9
107.08544	0.8
108.04457	1.5
109.06499	0.3
109.10122	0.8
110.05988	0.3
111.08083	0.3
119.08563	0.7
121.10129	0.9
122.05992	0.6
123.11692	0.6
124.07609	0.3
125.06039	0.3
126.05509	0.4
127.03857	0.3
131.08571	0.4
133.10126	0.8
135.11691	0.5
137.05905	0.5
138.05458	0.8
140.07031	1.1
140.54578	0.2
146.06007	0.9
147.11661	0.6
148.07529	0.6
149.13239	0.4
150.05470	0.4
159.11655	0.4
166.04968	0.7
168.06557	2.9
169.10101	2.2
169.15846	0.3
174.05501	0.7
177.12747	1.0
196.11220	0.3
204.06613	0.6
206.08090	1.5
211.08626	3.6
211.12224	0.7
212.09424	1.2
213.10237	0.8
221.10695	0.9
222.09088	1.1
222.11165	0.3
223.08571	0.6
223.12311	0.4
224.10921	1.7
225.10144	3.8
226.11006	0.5
227.08090	0.3
230.11304	0.3
239.08063	0.6
239.11745	7.9
240.08620	0.5
240.12489	0.5
241.09729	1.0
241.13353	1.1
242.10361	0.4
243.15915	1.1
249.10173	0.9
250.08598	1.1
251.08130	1.0
251.16678	0.3
252.08980	1.4
253.09657	4.4
254.10452	0.8
255.11116	0.3
257.12790	0.8
267.11246	9.8
268.11951	0.4
269.09561	0.3
269.12863	1.1
269.17432	4.2
269.20126	0.4
277.09821	0.3
280.08420	0.3
281.09338	0.4
283.10834	0.4
284.11514	0.6
285.12231	1.3
295.10709	5.3
297.12317	0.3
301.20026	0.5
313.11777	33.2
314.12073	1.0
323.10425	0.7
327.13254	0.3
341.11325	3.9
355.13004	1.4
359.12274	0.7
363.39407	0.2
373.13885	100.0
374.14233	2.8
466.19623	0.8
498.22086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
55.01839	0.6
55.05494	0.3
55.50380	0.2
57.03413	0.4
57.07044	0.3
67.05492	0.9
69.03402	0.7
69.07051	1.1
69.49949	1.8
71.04958	0.2
79.05454	0.6
81.03398	0.5
81.07046	2.0
83.04926	0.2
83.08633	0.3
85.02864	0.6
85.06529	0.5
91.05460	0.5
93.07041	1.0
94.06522	0.3
95.04930	0.6
95.08575	0.8
97.02859	0.4
97.06530	0.5
98.21479	0.3
105.06973	0.9
107.08559	0.7
108.04455	2.0
109.02818	0.4
109.06467	0.2
109.10136	0.6
110.06030	0.3
117.07020	0.2
119.08567	0.7
121.10079	0.7
122.05996	0.6
123.11671	0.3
124.07576	0.3
126.05519	0.3
127.03856	0.3
131.08577	0.4
133.10109	0.5
133.15727	0.2
137.05920	0.3
138.05489	0.6
140.07025	0.8
145.08597	0.3
146.06018	1.3
147.06688	0.3
147.11679	0.5
148.07555	0.5
150.05504	0.3
159.11632	0.6
165.09180	0.2
166.04965	0.7
168.06558	3.0
169.10103	1.6
169.15828	0.3
174.05429	0.8
177.12668	0.6
179.14241	0.3
185.13422	0.2
187.16866	0.5
194.09616	0.2
195.13844	0.3
196.11298	0.3
198.09256	0.4
199.08554	0.3
204.06502	0.5
206.08101	1.0
211.08615	3.7
211.12286	0.8
212.09218	1.1
213.10226	0.9
221.10690	0.8
222.09062	0.8
223.08658	0.6
223.12373	0.4
224.10931	1.8
225.10170	3.8
226.10953	0.8
226.32635	0.2
227.08058	0.4
227.11768	0.4
238.07309	0.2
239.08005	0.6
239.11748	7.8
240.08780	0.5
240.12506	0.8
241.09615	1.3
241.13246	0.5
242.10397	0.3
243.15862	1.0
249.10278	1.0
250.08571	1.1
250.10803	0.4
251.08191	1.0
251.11745	0.3
252.08545	1.4
253.09702	4.1
254.10461	0.6
257.12869	0.5
267.11249	11.7
268.11923	0.6
269.12952	1.4
269.17450	2.6
277.09760	0.3
280.08411	0.5
281.09097	0.7
283.10971	0.3
284.11591	0.6
285.12363	1.5
295.10724	5.6
296.11151	0.3
297.12280	0.6
298.10373	0.2
301.11935	0.3
301.20154	0.3
302.11124	0.3
313.11771	35.1
314.12173	0.7
323.10153	0.5
339.17145	0.2
341.11285	4.0
355.12787	1.4
359.12399	0.3
373.13882	100.0
374.14185	2.8
374.18610	0.3
466.19736	0.6
498.22324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
55.05488	1.1
57.03416	0.9
60.86478	0.3
61.02914	0.5
66.56742	0.3
67.05486	4.2
69.03409	0.8
69.07043	1.2
71.04964	1.2
71.14326	0.7
73.02942	0.3
76.42563	0.3
79.05479	1.5
81.03393	0.7
81.07032	7.5
81.62978	0.3
82.07385	0.4
82.11965	0.3
83.04955	0.5
83.08585	0.7
85.02910	0.8
85.06512	1.3
91.05471	1.8
93.07029	3.0
94.06543	0.4
95.04930	0.7
95.08599	1.5
97.02831	0.6
97.06508	0.8
99.04452	0.4
99.08067	0.6
105.06974	0.7
107.08547	1.3
108.04443	2.6
109.02882	0.4
109.10120	1.2
111.08042	0.4
117.06976	0.4
119.08543	0.7
121.06462	0.3
121.10116	0.5
122.05984	0.7
123.11665	1.0
124.07587	0.7
127.03893	0.5
131.08514	0.8
133.10069	1.8
135.11674	0.6
138.05452	0.7
140.07024	1.2
145.05019	0.3
146.05977	1.6
147.11629	0.4
148.07536	0.7
149.13237	1.4
151.11151	0.7
153.01778	1.5
157.10060	0.3
159.11693	3.1
160.11923	0.3
161.13255	0.6
166.04930	0.6
168.06517	3.5
169.10081	0.9
174.05499	1.4
175.92639	0.3
177.12689	3.5
179.14288	1.0
187.13271	0.9
195.13741	0.7
204.06473	0.7
206.08116	1.1
211.08650	3.9
211.12297	0.8
212.09268	0.6
213.10173	0.9
221.10728	1.1
222.09079	0.8
223.08548	0.6
223.12207	0.4
224.10704	1.1
225.10233	3.2
226.10864	0.5
227.08162	0.4
227.11745	0.3
235.69167	0.3
239.08041	0.6
239.11737	6.4
240.08757	0.6
240.12471	0.5
241.09605	1.5
241.13382	0.8
243.15880	4.4
249.10217	0.9
250.08614	0.9
251.08047	0.6
251.11757	0.5
251.16411	1.1
252.08939	1.2
253.09648	4.5
254.10358	0.9
255.11208	0.4
257.12820	0.7
267.11224	9.2
268.11862	0.5
269.12775	1.3
269.17413	14.7
278.07983	0.4
280.08328	0.4
281.09033	0.4
283.10794	0.4
285.12256	0.9
295.10672	4.5
297.12192	0.6
299.10190	0.6
301.20016	2.7
313.11749	32.9
314.12247	1.2
323.10144	0.8
327.12686	0.4
341.11240	5.2
355.12704	2.6
373.13861	100.0
374.14221	4.0
445.24326	1.3
466.19577	1.4
498.22406	2.2
498.28796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56927	0.3
53.03930	0.7
55.01852	0.7
55.05485	0.7
55.80492	0.4
57.03426	2.1
61.02915	0.9
63.06680	0.5
67.05478	1.9
69.03416	4.2
69.07053	2.1
70.06566	0.5
71.04982	31.9
71.17043	1.1
73.02905	4.2
81.03398	4.4
81.07041	2.6
83.04944	0.6
85.02892	7.6
85.06532	5.1
87.04447	0.7
93.07007	0.5
95.04942	2.3
95.08566	1.0
97.02876	7.1
99.04430	1.2
107.04951	0.5
107.08571	1.1
109.02868	3.6
109.10123	1.5
111.04435	0.6
113.05988	5.6
115.03902	2.2
121.10117	0.7
123.11687	12.4
127.03901	4.8
127.07536	16.8
131.06027	0.5
131.07011	9.2
131.07935	0.7
133.04932	2.3
137.05869	0.4
137.09680	0.6
138.09061	0.7
141.05435	1.2
145.04919	3.8
145.08572	100.0
146.08899	1.0
151.11163	3.6
153.01804	8.4
155.07018	2.6
161.05870	0.5
163.06055	0.6
166.08617	1.3
169.12206	5.6
171.02837	1.1
173.08090	4.1
181.04959	0.5
185.08047	0.8
187.13283	0.8
191.09116	20.9
206.41829	0.4
221.97394	0.4
257.10193	1.1
275.11276	1.0
283.15384	1.8
295.10040	0.4
297.05917	0.5
299.11258	1.6
301.16605	0.8
305.90442	0.4
313.15839	0.5
315.07028	1.4
317.12314	4.6
335.09229	0.7
335.13290	12.7
377.00952	0.5
436.04196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07048	1.0
70.04595	2.8
70.05000	1.5
81.07024	1.0
87.32132	0.7
90.64725	0.7
93.07017	0.8
95.08583	1.1
104.79440	0.7
107.08584	0.8
109.10155	0.9
147.04436	0.9
358.69934	0.8
416.21991	0.7
423.21744	0.8
426.68900	0.8
497.33835	100.0
498.34103	6.0
502.15753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
53.06427	0.1
54.87359	0.1
55.01863	0.3
55.05501	0.9
55.85406	0.1
57.03424	0.5
57.07059	0.1
59.76980	0.1
65.03927	1.4
67.05495	3.0
69.03421	0.2
69.07053	1.1
71.04987	0.3
72.47415	0.1
75.02414	0.1
79.05482	1.7
80.05813	0.2
81.03417	0.8
81.07047	5.3
82.03748	0.1
82.07353	0.1
83.04982	0.6
83.08610	1.0
85.02883	0.4
85.06522	0.4
87.04445	0.1
91.05467	14.5
92.05810	0.6
93.07035	2.5
95.04959	0.8
95.08592	1.3
97.02883	0.1
97.06493	0.6
97.10178	0.2
98.21510	0.2
99.04463	0.1
99.08076	0.2
105.07022	1.6
107.04961	0.2
107.08588	1.5
109.02872	0.1
109.06513	0.3
109.10139	0.6
111.08074	0.3
111.11679	0.1
116.77586	0.1
117.07001	0.4
119.04925	29.3
119.08555	1.1
120.05245	1.2
121.06541	0.2
121.10119	1.4
123.08041	0.2
123.11691	1.2
125.09615	0.2
127.07515	0.1
129.06969	0.2
131.08510	0.6
133.06447	0.1
133.10124	0.5
135.08035	0.2
135.11659	0.4
137.09563	0.1
145.10114	0.3
147.04387	100.0
147.11652	2.0
148.04718	4.5
148.05942	0.2
149.13243	1.1
151.11137	0.1
151.92319	0.1
157.10168	0.3
159.11678	0.4
165.12733	0.7
171.11719	0.1
175.11096	0.2
177.12776	0.2
183.13760	0.1
193.12202	0.4
195.13803	0.6
211.13301	0.4
213.14825	0.2
227.12773	0.1
229.14304	0.3
253.14322	0.1
267.15887	2.7
268.16306	0.2
269.17438	3.0
270.17773	0.2
285.16916	1.5
405.25732	0.1
413.64633	0.1
453.28223	0.2
461.28595	0.4
462.29178	0.2
479.29941	3.9
480.30154	0.2
497.18668	0.1
497.30191	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.6
55.01859	1.7
55.05503	14.8
57.03431	12.7
57.07049	2.2
65.03929	3.0
67.05495	54.0
69.07057	23.9
69.60870	11.2
71.04990	8.3
77.86437	1.4
78.76743	1.6
79.05486	32.6
81.03400	5.0
81.07045	100.0
83.04963	9.5
83.08601	13.4
85.02855	1.4
85.06520	5.5
91.05465	26.1
93.07030	44.1
94.07324	1.6
95.04961	6.4
95.08594	24.1
97.06515	12.1
97.10134	3.8
99.08079	3.5
105.07027	27.1
107.08579	26.8
109.06492	7.6
109.10143	5.3
111.08063	4.6
117.06996	4.6
119.04905	2.4
119.08561	20.9
121.10120	26.9
123.08051	4.2
123.11682	21.2
126.91488	1.6
129.06961	2.2
131.08551	6.5
133.10144	7.6
135.08005	2.6
135.11682	6.8
137.09610	1.6
137.13168	1.6
141.09099	1.5
145.10120	2.2
147.04399	5.5
147.11665	48.0
149.13249	21.6
159.11681	9.9
165.12724	17.0
177.12709	5.8
183.13821	3.2
193.12299	3.1
195.13733	12.6
229.14336	5.6
238.36043	1.9
267.13040	1.9
267.15869	56.6
269.17432	78.9
285.16922	31.1
479.30014	93.7
497.29767	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	497.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	2.0
53.03942	8.3
55.01854	7.9
55.05502	29.5
57.03180	2.8
57.03427	32.2
57.07049	4.9
57.79864	1.6
59.04977	2.7
61.02918	74.6
62.10874	1.6
65.03915	5.3
67.05494	91.1
69.03416	46.3
69.07062	25.3
69.79459	6.9
69.79877	4.7
71.01328	8.1
71.04990	10.8
73.02901	35.7
75.04465	2.8
79.05005	1.9
79.05479	59.5
81.03398	31.1
81.07043	100.0
83.04965	8.5
83.08604	11.9
85.02892	73.8
85.06520	3.2
87.04433	4.7
91.03939	46.7
91.05461	42.8
93.07025	85.7
95.04974	11.1
95.08592	75.5
97.02874	64.6
97.06494	9.9
97.10138	6.1
98.21434	2.6
99.04446	13.7
99.08065	3.5
101.02351	16.1
103.03902	9.8
105.04517	1.7
105.07006	31.8
107.04919	2.7
107.08578	49.6
109.02859	13.1
109.06495	7.1
109.10135	35.2
111.04421	5.7
111.08049	4.9
115.03898	5.3
116.06275	1.9
117.05458	4.2
117.06972	14.8
119.08553	30.0
121.06464	3.7
121.10119	35.8
123.08052	4.2
123.11671	16.7
125.09603	2.6
127.03898	24.5
128.87646	1.9
129.05461	5.1
129.06963	8.1
131.04927	2.0
131.08545	23.8
133.10098	24.3
135.11670	21.6
137.09579	4.4
137.13269	3.0
141.06966	2.9
143.08519	5.9
145.04921	10.1
145.10085	19.9
147.04373	1.9
147.06473	2.6
147.07964	2.0
147.11674	17.4
149.09602	3.6
149.13255	12.0
151.11217	2.7
155.08568	2.5
157.10065	4.6
159.06567	2.3
159.11685	14.4
159.58650	1.7
161.09549	3.9
161.13254	13.8
163.11124	2.8
163.14798	5.1
164.71529	2.0
169.10092	1.9
171.11644	5.7
173.09612	2.5
173.13213	11.3
175.11160	2.3
175.14790	4.3
177.12741	3.6
177.16461	2.5
183.06458	6.0
183.11607	3.4
185.13194	4.6
186.46483	1.7
187.11253	2.3
187.14801	6.6
191.14256	3.4
195.11703	1.8
197.13202	3.2
199.14767	5.2
201.07562	5.3
203.14325	2.0
205.15910	1.8
209.13277	2.7
243.21074	7.5
261.22095	23.5
273.22141	3.7
301.21484	2.6
303.23126	4.7
315.22955	3.1
327.23401	2.5
333.24036	2.4
335.25748	92.4
339.23447	1.9
345.24173	3.1
349.77179	1.8
351.23236	4.7
359.26016	1.9
363.25177	5.2
369.24164	6.5
377.26492	3.4
405.26080	3.1
443.28027	2.1
461.28897	7.5
479.30093	9.9
497.30893	48.7
497.37704	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	497.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.1
53.03935	5.6
55.01862	6.5
55.05504	27.7
57.03431	33.9
57.07059	2.5
59.04979	2.0
61.02915	54.8
65.03931	5.0
67.05495	89.4
69.03067	3.1
69.03418	46.8
69.07056	24.0
69.42719	16.7
71.01330	8.9
71.04982	10.7
73.02912	27.5
75.04437	2.2
79.05482	61.6
81.03411	31.0
81.07047	100.0
83.04964	8.7
83.08620	12.8
85.02891	58.8
85.06570	4.1
87.04430	4.3
91.03945	35.2
91.05464	47.3
93.07030	75.6
95.04974	13.1
95.08595	80.5
97.02874	50.5
97.06500	6.9
97.10132	7.1
99.04431	10.7
101.02367	8.8
103.03933	11.3
105.07019	37.3
107.04945	6.8
107.08575	41.4
109.02853	10.2
109.06497	6.9
109.10134	33.4
111.04455	4.2
111.08044	4.5
115.03937	5.1
117.05479	2.4
117.07004	17.5
118.96780	1.9
119.08563	31.1
121.06490	5.0
121.10123	35.5
123.08027	6.4
123.11675	13.7
125.09606	3.8
127.03889	19.6
129.05463	6.9
129.06976	7.6
131.08557	28.6
133.06500	2.9
133.10106	31.2
135.08022	3.4
135.11664	25.7
137.05975	2.6
137.09601	3.6
137.13203	2.7
142.07697	2.1
143.08543	8.6
145.04926	8.3
145.06438	2.9
145.10085	21.6
147.08031	3.1
147.11681	19.6
149.09645	4.8
149.13216	15.8
151.11136	3.3
155.08467	3.0
157.06448	2.8
157.10117	7.4
159.11655	16.6
161.09576	3.4
161.13261	11.2
163.11205	3.2
163.14793	5.7
169.10123	4.7
171.11639	6.6
173.09599	3.6
173.13179	13.7
173.61497	2.0
175.11116	2.7
175.14796	4.3
177.12743	3.2
177.16498	2.4
183.06490	5.5
183.67639	2.1
185.13211	7.6
187.11107	2.5
187.14786	5.5
189.12794	3.4
189.16473	2.2
195.11801	2.3
197.13225	3.4
201.07426	3.5
201.12755	2.8
201.16368	2.3
222.13690	1.9
226.92525	2.0
231.17549	2.4
243.21062	8.2
259.20557	5.8
261.22131	20.7
285.21967	2.8
301.21518	3.3
303.23126	4.8
313.21399	2.1
315.23080	4.5
327.23083	2.8
335.25735	83.3
341.24774	3.5
345.24237	3.8
351.22961	2.2
363.25043	2.6
369.24030	11.3
377.26602	2.3
387.25198	8.5
405.25931	4.4
419.27658	3.3
443.27859	4.4
461.28555	10.7
479.29782	16.0
497.30908	46.5
504.06036	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57813	0.1
55.01867	0.2
55.05495	0.5
57.03422	0.4
58.47908	0.1
63.36206	0.1
65.03925	1.4
67.05497	1.3
69.03401	0.2
69.07053	0.5
77.95103	0.1
79.05479	0.9
81.03415	0.6
81.07043	2.1
83.04976	0.3
83.08608	0.3
85.02880	0.2
85.06509	0.1
91.05466	13.1
92.05798	0.2
93.07028	1.2
95.04964	0.4
95.08603	0.9
97.06516	0.4
105.06977	0.7
107.04943	0.2
107.08592	0.8
109.06481	0.2
109.10118	0.4
111.08123	0.2
117.07013	0.1
119.04924	27.9
119.08566	0.5
120.05248	0.2
121.10111	0.7
123.11688	0.3
131.08562	0.2
133.10106	0.4
135.11678	0.3
147.04385	100.0
147.11639	0.7
148.04726	1.4
149.13252	0.5
150.83504	0.1
151.11105	0.2
157.10117	0.2
159.11638	0.2
165.12698	0.2
193.12207	0.3
195.13774	0.2
211.13164	0.3
267.15811	0.9
269.17441	1.0
285.16882	0.5
360.33630	0.1
461.28287	0.2
466.30753	0.1
479.29877	1.5
497.29956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01845	0.5
55.05515	0.5
55.83180	0.3
57.03416	1.1
57.07056	0.4
61.02908	1.2
64.42287	0.4
65.03910	0.8
67.05490	2.6
69.03418	3.9
69.07058	44.6
69.78642	1.9
70.56107	0.3
71.04964	1.0
73.02901	0.4
79.05477	1.5
80.04966	0.4
81.03412	2.0
81.07047	6.7
83.01332	0.4
83.04980	0.7
83.08628	1.0
85.02894	7.7
85.06536	3.3
87.04466	0.4
91.03924	0.4
91.05475	0.9
92.04990	0.8
93.07040	3.1
94.06561	1.8
95.04935	0.7
95.08601	3.3
96.08120	0.6
97.02881	3.1
97.06510	8.3
97.10168	0.5
99.04420	0.5
99.08063	0.6
105.06964	0.9
107.08573	1.4
108.04482	0.5
109.02861	1.5
109.06474	1.3
109.10147	3.0
111.04411	0.4
113.09621	0.8
119.08565	0.5
121.05185	0.4
121.06467	0.7
121.10134	1.5
122.06004	4.1
123.04330	0.5
123.11691	2.5
124.07557	1.2
125.05968	1.0
125.09615	0.8
126.05495	0.4
127.03875	1.7
127.11167	1.1
131.07220	0.4
132.04564	0.4
132.08038	0.7
133.10100	1.0
135.11662	1.4
137.05956	2.3
137.13222	0.6
138.05449	3.0
139.11076	0.4
140.07043	4.3
142.08585	0.6
144.08064	1.3
145.04904	0.7
145.08797	1.5
145.09976	0.6
146.09634	1.9
147.11635	0.6
148.03917	0.7
149.13248	0.8
150.05486	50.7
151.05818	0.3
153.01775	0.5
153.12737	1.0
157.08832	0.9
158.05952	0.5
158.09605	0.5
159.10445	0.6
160.07564	0.7
160.11108	0.4
161.08344	3.1
162.09161	2.3
163.04964	0.5
163.14769	0.5
164.03401	0.8
165.04225	0.6
166.04979	15.0
167.07063	0.9
168.06503	0.8
171.13782	0.6
172.07530	0.9
172.11177	2.5
173.08299	1.0
174.09108	1.3
174.12733	3.9
175.09904	0.5
176.03409	3.2
177.16302	0.5
178.04993	1.9
182.04504	0.5
182.09688	0.5
185.08321	1.0
186.07602	0.5
188.07047	0.5
188.10695	1.0
189.16313	0.5
190.08617	0.8
190.12218	5.1
191.10602	0.4
192.02855	0.8
194.04475	2.1
198.07635	0.5
198.09279	0.6
200.07097	0.6
200.10727	4.7
202.08504	0.6
202.12231	5.1
213.10098	0.4
215.08139	0.6
215.11740	0.5
216.10202	3.3
217.13428	0.4
218.08154	1.1
218.11739	15.9
225.10225	0.5
226.08711	0.5
227.11829	0.4
228.10159	10.3
229.13326	0.7
234.11218	2.5
243.11234	1.3
244.05843	0.4
244.09622	1.6
245.12837	1.4
245.22531	0.9
246.08702	0.7
246.11230	13.6
255.11182	1.0
256.09634	1.3
257.09119	1.3
261.12363	0.7
262.10681	0.6
263.23663	1.5
271.10788	4.0
272.09106	2.4
273.09723	0.4
273.12253	2.4
274.10703	1.5
281.24710	5.0
287.10236	6.0
289.11740	5.8
290.10211	1.2
291.13446	0.6
299.10214	4.7
299.25818	1.3
300.08398	0.4
317.11273	22.5
317.26904	0.7
318.09259	0.8
335.12323	100.0
336.12802	1.9
497.17413	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.1
53.03931	0.1
55.01852	0.1
55.05502	0.2
57.03426	0.1
64.17705	0.1
65.03922	1.4
67.05490	0.5
68.05814	0.1
69.07056	0.2
69.56556	0.2
69.56960	0.5
73.80567	0.1
79.05481	0.4
80.05819	0.1
81.03404	0.8
81.07050	0.5
82.03742	0.2
82.07375	0.1
83.04955	0.2
83.08601	0.2
85.02891	0.2
91.05466	12.7
92.05806	0.2
93.07039	0.3
95.04955	0.4
95.08583	0.2
96.05260	0.1
105.06998	0.2
107.04971	0.1
107.08578	0.2
109.10133	0.1
111.08080	0.1
119.04922	27.7
119.08545	0.2
120.05239	0.3
121.10114	0.2
127.03909	0.1
131.08574	0.1
131.16237	0.1
133.10115	0.2
135.11682	0.1
145.10144	0.1
147.04384	100.0
148.04724	1.2
149.09592	0.2
157.10185	0.1
193.12169	0.3
194.12570	0.2
195.12724	0.1
211.13274	0.3
212.13591	0.2
213.13971	0.1
269.17142	0.1
308.18213	0.1
311.40683	0.1
489.57425	0.1
496.29974	0.1
497.30048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.1
53.03947	0.1
55.01862	0.2
55.05516	0.5
57.03423	0.1
65.03922	1.1
67.05498	1.7
68.05836	0.3
69.03410	0.2
69.07047	0.8
69.31270	0.3
69.31692	0.8
71.04981	0.3
71.96472	0.1
79.05480	1.0
81.03401	0.6
81.07043	2.8
82.07388	0.7
83.04967	0.4
83.08612	0.4
85.02889	0.2
85.06528	0.2
91.05466	10.8
92.05807	0.2
93.07032	1.0
94.07365	0.2
95.04963	0.4
95.08585	1.0
96.08883	0.2
97.02859	0.1
97.06507	0.3
97.10129	0.1
99.04460	0.2
99.08067	0.1
105.07019	1.4
106.07368	0.2
107.04948	0.2
107.08574	0.7
107.87899	0.1
108.08907	0.2
109.02844	0.3
109.06529	0.3
109.10113	0.5
111.08057	0.3
117.06963	0.2
119.04925	25.1
119.08546	1.1
120.05247	0.2
120.08870	0.2
121.10117	0.9
122.10432	0.2
123.08080	0.2
123.10854	0.2
123.11687	0.7
124.11977	0.2
125.09567	0.2
127.03880	0.3
129.06932	0.1
131.08559	0.2
133.10101	0.4
135.08051	0.1
135.11690	0.2
137.09700	0.1
145.10150	0.2
147.04387	100.0
147.11642	1.2
148.04733	1.0
148.11951	0.6
149.12241	0.2
149.13290	0.2
151.11113	0.1
157.06415	0.1
157.10133	0.2
159.11665	0.2
161.13168	0.2
163.11191	0.1
163.14851	0.1
165.05466	0.1
165.09074	0.1
165.12737	0.7
166.13055	0.4
175.11249	0.2
177.12799	0.1
179.08580	0.1
184.10687	0.1
193.12219	0.2
195.13742	0.1
207.06592	0.3
208.69022	0.1
211.13252	0.3
229.14371	0.2
230.14806	0.1
231.06680	0.2
267.15930	0.6
268.16165	0.5
269.16760	0.4
320.31253	0.1
333.09555	0.3
437.12387	0.5
451.28137	0.1
453.28156	0.1
479.29321	0.6
496.29602	0.3
497.14185	0.2
497.30255	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84417	0.2
55.05501	0.3
57.03429	0.2
65.03924	1.0
67.05497	1.0
69.07045	0.2
70.28091	0.4
70.28487	0.2
71.04994	0.3
71.74026	0.1
75.21732	0.2
79.05476	0.7
81.03408	0.6
81.07046	1.3
81.69748	0.2
83.04964	0.3
83.08611	0.4
85.02883	0.3
85.06517	0.2
89.37485	0.2
91.05468	12.6
93.06999	0.8
93.32429	0.2
95.04967	0.3
95.08605	0.5
105.07027	0.6
107.08559	0.5
109.06489	0.2
109.10139	0.3
119.04926	24.4
119.08547	0.4
121.10121	0.5
123.11681	0.2
127.03885	0.3
131.04868	0.2
131.08653	0.2
133.10089	0.3
135.11664	0.3
137.09686	0.2
147.04388	100.0
148.04732	1.0
149.13251	0.4
157.10158	0.2
159.11597	0.2
160.80693	0.2
193.12376	0.2
195.13901	0.2
211.13242	0.3
222.70686	0.2
267.15967	0.3
269.17407	0.5
284.64850	0.2
461.28391	0.2
479.29187	0.5
497.13550	0.2
497.29968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39988	2.4
55.94632	2.5
56.96552	10.1
57.03422	5.8
58.99858	3.5
61.02910	8.2
67.05482	3.9
69.03426	29.5
69.81998	17.4
71.04980	5.3
73.02902	12.8
81.03402	9.1
83.04914	4.4
83.12868	2.2
85.00988	2.6
85.02895	51.3
86.03230	4.2
87.04433	4.4
91.03960	2.4
97.02881	30.4
98.97567	24.6
99.04469	5.8
101.00896	5.0
103.02441	3.3
105.07081	2.7
107.04884	2.4
109.02872	3.8
110.49856	2.6
110.97573	6.3
113.00883	3.0
115.02405	2.9
115.03913	5.9
116.98605	16.3
117.03989	2.9
119.01903	29.4
127.03900	18.0
128.98592	5.6
131.00145	3.6
131.01913	23.1
131.05525	8.2
133.03438	10.3
134.99612	5.8
135.04994	3.6
137.01895	3.3
137.02940	4.2
139.03975	2.5
143.00177	2.8
143.01868	11.0
143.05507	3.2
144.02605	3.0
145.03503	15.7
145.04951	12.7
146.99594	8.3
147.03207	3.8
147.05040	24.6
149.02980	4.6
149.06595	12.1
152.02274	2.9
153.01808	10.8
155.01871	15.8
155.05580	4.4
157.03481	13.0
158.99666	7.0
159.05035	9.8
161.01747	3.0
161.02962	20.5
161.06593	28.3
163.02713	5.9
163.04448	7.8
165.06125	6.4
165.07718	2.6
169.03479	4.1
170.99643	3.0
171.03699	2.6
171.04984	18.2
173.01376	5.5
173.02943	23.6
173.06578	15.2
175.02907	3.4
175.04498	10.4
177.00717	12.1
177.04152	5.0
177.06006	3.6
179.07617	10.6
183.05019	9.8
184.04910	3.6
185.02936	9.5
185.06572	24.5
187.04468	4.3
187.08180	5.1
189.00677	9.4
189.02379	2.6
189.04344	5.6
189.06053	36.2
191.02307	5.1
191.03937	3.4
191.07556	6.6
193.03770	3.4
193.05386	4.8
195.05122	4.8
195.07018	3.6
197.06593	8.5
199.08182	4.9
201.00734	4.5
201.06075	34.2
203.02299	3.5
203.03978	11.9
203.05763	4.5
203.07628	42.5
204.04044	3.1
205.03801	4.4
205.05569	3.0
207.05255	4.5
209.06592	5.7
213.06096	4.7
215.04105	6.0
215.07600	55.1
217.05603	4.3
217.09186	9.0
219.01697	17.8
219.07138	8.3
221.05025	34.9
223.04840	5.6
225.06091	13.1
227.07680	8.7
231.07227	14.0
233.05029	3.3
233.08722	4.4
235.56773	3.4
237.02757	22.2
239.07678	16.9
245.04962	20.7
245.08656	9.0
246.05220	7.9
249.08545	2.8
255.07072	4.2
257.05176	4.5
257.08066	4.2
259.06668	8.5
261.02704	5.2
261.08218	9.6
272.06680	3.6
273.08160	7.8
275.06223	6.2
275.09750	5.4
277.00583	5.1
279.03848	6.5
281.07071	5.4
281.57083	5.9
287.09735	5.0
291.06094	5.7
291.09232	76.9
292.09619	5.1
293.05737	3.8
295.06824	3.8
302.05026	2.5
303.01013	3.6
305.10770	100.0
306.07321	2.9
306.10828	5.7
309.10590	26.6
310.06146	3.0
311.06400	3.8
316.99033	3.6
317.07153	3.4
321.10373	37.3
322.10608	5.2
323.12100	16.8
326.08658	4.4
332.12143	3.2
335.08353	5.6
335.11951	9.7
349.09467	4.4
351.10925	11.1
358.99838	4.4
363.10040	7.6
369.10403	3.6
377.09091	6.3
391.00577	3.3
393.12137	3.7
409.11960	4.2
437.10349	13.2
461.11386	6.7
465.10858	9.0
475.56625	3.6
479.12363	28.1
497.13171	71.8
498.13495	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	496.3389
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05493	0.6
56.05018	1.1
57.03422	0.3
57.07066	3.2
58.06562	1.2
59.07377	0.2
60.08152	16.6
67.05485	0.7
69.07050	0.5
69.64359	1.3
70.06574	0.3
71.06964	0.3
71.07362	6.2
71.08620	2.3
81.07035	0.9
81.60027	0.2
83.08596	0.6
85.10180	1.1
86.09690	48.9
87.10043	0.4
92.80952	0.2
95.08600	1.1
97.10134	0.3
98.98446	3.3
104.10725	100.0
105.11069	0.8
109.10139	0.4
117.39217	0.2
118.83249	0.2
123.11648	0.2
124.99982	27.9
143.01021	0.3
148.55142	0.2
153.96584	0.2
163.01524	0.9
166.02603	0.3
181.02557	0.2
184.07307	96.5
185.07655	0.7
201.76878	0.2
258.11032	1.4
283.26315	0.2
288.24738	0.2
313.27359	2.0
419.25403	0.3
437.25021	0.2
478.32877	9.6
479.32944	0.6
496.33887	43.7
497.34100	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
56.05030	0.3
57.03426	0.3
57.07066	0.7
58.06622	0.5
60.08156	5.6
60.08470	0.3
67.05498	0.5
69.03412	0.1
69.07054	0.4
71.07368	2.3
71.08620	0.5
72.03510	0.1
79.05498	0.3
81.07037	0.6
83.08632	0.2
85.10169	0.3
86.09693	24.8
87.10034	0.2
89.06023	0.2
91.05460	0.3
93.07037	0.3
95.08603	0.6
98.21531	0.2
98.98441	1.9
104.10722	2.9
104.11404	0.2
105.07037	0.2
107.08584	0.3
108.08904	0.1
109.10141	0.2
114.34277	0.1
119.08575	0.3
121.10140	0.2
124.99987	17.1
127.91179	0.1
133.10104	0.4
135.11620	0.2
143.01028	0.2
159.11726	0.3
166.02596	0.2
172.51137	0.1
184.07312	100.0
185.07693	0.7
189.16376	0.4
201.16377	0.2
215.17894	0.1
230.96507	0.1
258.11127	0.2
260.15939	0.1
269.66791	0.1
313.27332	0.2
364.83023	0.1
391.33344	0.2
437.33975	0.2
478.33163	1.2
496.33691	4.0
497.35962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01867	3.3
55.05510	10.8
57.03428	4.2
57.07063	2.3
57.41814	1.2
59.04989	1.8
61.91222	1.2
67.05164	2.0
67.05499	23.8
69.03424	17.6
69.07056	16.7
70.06397	4.3
71.04990	8.6
75.04531	1.3
79.05477	14.2
81.03410	33.8
81.07047	77.9
82.07391	2.4
83.04972	7.4
83.08613	9.5
84.42514	1.1
85.02895	9.8
85.06538	6.6
89.05991	1.5
90.66766	1.2
91.05466	20.5
92.05774	1.2
93.07030	17.4
95.04973	4.1
95.08599	19.8
97.02879	9.6
97.06524	7.4
97.10138	2.8
99.04446	5.5
99.08071	4.3
101.02379	1.3
101.05975	2.2
105.03701	1.2
105.07018	34.6
107.07051	1.7
107.08575	17.6
109.02864	20.1
109.06515	6.5
109.10152	9.0
109.71418	1.3
111.08112	1.4
113.06011	2.7
115.33844	1.2
117.05524	1.4
119.04907	1.4
119.08562	29.1
121.06514	1.6
121.09309	1.9
121.10139	28.1
123.04716	1.8
123.08067	5.1
123.11687	39.5
124.12056	1.3
125.09626	1.4
127.03899	27.7
127.07549	5.1
127.11163	1.2
129.05580	1.3
129.06975	2.1
131.08519	2.3
133.10063	6.5
135.11691	2.2
137.05997	1.9
137.09587	3.1
137.13268	1.5
138.06351	1.3
141.09105	1.9
143.66008	1.3
145.04944	3.5
145.08655	2.1
145.10075	2.6
147.04457	2.1
147.11673	100.0
148.11946	3.4
149.09599	2.3
151.07524	1.6
153.05504	1.3
157.10132	3.4
163.07486	1.6
163.82132	1.3
165.09090	2.6
165.12737	50.2
166.13092	1.9
167.07045	2.0
171.11694	1.6
175.11127	5.6
177.09157	1.4
183.13776	13.4
184.14169	1.3
185.09595	1.5
187.95839	1.2
193.12227	14.0
211.13354	9.1
229.14328	89.1
230.14647	2.2
263.23633	2.4
265.09744	2.1
267.11212	2.9
277.96237	1.3
281.09085	1.5
281.24655	8.0
291.15805	2.2
293.09131	1.8
301.14355	3.1
309.16992	3.8
311.10147	3.0
319.15359	12.9
337.16406	61.8
338.16891	2.0
339.09753	2.7
342.19150	1.4
355.17444	48.9
356.17661	2.3
371.12372	13.4
372.12775	2.3
373.14011	2.9
373.18509	15.9
443.23007	2.8
456.71045	1.2
496.21387	1.3
496.29056	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.3
55.05495	2.2
57.03430	3.2
57.07059	0.8
59.04985	0.8
61.02916	1.7
65.03898	0.3
67.05495	3.5
69.03419	5.1
69.07050	3.8
69.91312	1.0
69.91724	1.1
71.01332	0.6
71.04979	11.7
73.02908	3.9
73.06551	2.9
74.03748	0.4
79.05483	1.8
81.03393	1.1
81.07039	4.9
83.08611	3.1
85.02888	12.4
85.06509	0.8
87.04446	0.7
91.05458	1.1
93.07029	7.2
95.04930	0.5
95.08590	21.8
96.08896	0.5
97.02879	6.8
97.06503	1.0
97.10123	0.7
99.04453	0.4
103.03896	0.5
105.06999	1.1
107.08577	8.9
109.02847	1.4
109.06507	0.9
109.10137	5.1
110.10516	0.3
111.08076	0.6
115.03906	3.1
115.80153	0.4
119.08567	0.9
121.06493	0.4
121.10125	5.5
123.08076	0.4
123.11686	3.0
125.09535	0.4
127.03904	4.7
133.04948	5.0
136.12122	0.4
137.05939	1.2
137.09644	0.4
137.13225	0.5
145.04053	0.4
145.04953	3.7
147.11659	0.5
149.13231	17.3
151.03934	0.4
151.07536	0.5
153.01872	0.4
163.03911	0.5
163.06020	1.8
163.11206	0.5
165.12726	0.4
167.14287	100.0
168.14667	1.7
175.11197	0.4
179.14343	0.7
181.12187	0.8
185.15332	3.6
199.07751	0.4
199.13309	0.6
223.05922	0.9
241.07042	0.8
259.08072	1.0
277.09189	0.4
281.24692	1.0
295.10172	0.7
329.19382	0.5
496.20694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96824	1.0
52.22826	0.9
53.03928	2.1
55.01870	3.6
55.05505	3.2
57.03427	3.8
57.07081	1.1
67.05501	11.1
69.03419	9.3
69.07053	9.2
69.44331	9.5
71.04987	8.0
79.05479	8.9
81.03408	12.6
81.07044	30.8
82.07367	1.7
83.04967	3.9
83.08604	2.8
85.02882	7.9
85.06548	6.4
91.05466	13.1
92.05778	1.3
93.07027	13.6
95.04430	0.9
95.04955	5.0
95.08580	8.7
97.02881	5.4
97.06513	7.4
98.20703	1.6
99.04436	6.2
99.08060	1.4
101.05999	2.3
105.07011	17.8
106.07368	2.0
107.04936	2.4
107.08578	19.4
109.02863	18.2
109.06502	5.4
109.10163	4.9
110.03152	1.5
110.10419	1.1
111.04422	2.2
111.08059	2.5
113.05975	2.7
117.07008	1.6
119.08549	14.9
120.08939	2.7
121.06502	4.9
121.10123	19.9
122.10509	1.1
123.04443	1.5
123.08044	2.5
123.11674	12.6
124.07557	1.3
124.12067	2.4
125.05929	2.2
125.09637	2.4
127.03900	19.0
127.07549	2.8
127.64072	1.0
128.04272	1.5
129.05392	1.0
129.06961	2.1
131.07016	1.2
131.08560	3.6
133.04912	1.4
133.10127	5.0
135.08040	3.2
135.11658	4.9
137.05963	5.5
137.09593	1.6
137.13228	1.5
139.11168	2.2
143.08574	1.3
145.04961	1.3
145.08618	7.1
145.10091	9.4
147.08066	1.3
147.11665	48.4
148.12012	4.4
149.05869	1.1
149.09566	5.5
149.13243	1.6
151.07584	3.4
153.01810	2.0
155.88397	1.1
157.10065	7.7
163.11156	23.3
165.12738	20.7
166.13103	3.6
167.07022	10.2
167.08565	5.6
167.10678	6.2
167.14293	1.6
169.08586	12.8
173.09613	1.8
175.11162	9.7
177.12749	1.2
181.12247	4.5
183.13762	1.4
185.07141	1.7
185.15384	2.1
191.09111	2.3
191.10643	11.4
193.08594	1.1
193.12265	2.9
209.11638	12.1
210.14879	1.1
211.13351	3.9
213.06619	2.2
227.12740	26.9
229.14313	100.0
230.14702	5.3
269.13824	2.4
285.16895	2.9
289.14658	1.2
297.98608	0.9
317.13895	2.0
335.14682	2.9
337.16467	6.3
338.16711	5.6
353.15875	11.7
355.17432	23.3
356.17865	4.1
371.16882	9.0
373.18466	4.2
389.17755	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.0
55.01859	1.7
56.05014	1.3
57.03414	5.8
60.04505	4.8
65.89365	1.4
67.05476	4.7
69.03392	4.0
69.07043	2.3
69.38232	4.4
69.38658	8.3
70.06595	1.3
71.04970	4.0
71.45129	1.0
73.02920	8.5
79.05466	4.8
81.03405	6.6
81.07053	7.1
85.02872	3.9
85.06520	3.0
87.04482	1.6
91.05449	6.3
93.07030	6.3
93.45478	1.2
95.04939	3.6
95.08579	5.5
97.02862	2.9
97.06498	3.2
99.04447	3.0
99.08066	1.6
103.05428	6.6
105.07001	3.4
107.04939	2.1
107.08570	3.3
109.02853	5.2
109.06508	3.2
109.10122	4.5
112.13879	1.3
113.05965	2.6
115.03942	2.1
117.06979	2.2
119.04903	3.5
121.02855	3.4
121.06451	3.8
121.10114	4.8
122.03639	2.2
123.04407	2.7
123.08067	2.4
124.03996	1.7
127.03892	1.8
129.06985	2.7
131.04895	12.0
131.06995	1.5
133.04889	1.7
133.06462	2.3
133.10080	2.1
135.04422	2.0
135.08017	3.4
137.05954	50.8
137.09578	5.5
139.03857	1.7
139.11171	2.3
140.10667	5.8
141.05428	1.7
147.04385	4.5
147.08006	1.7
147.09116	2.3
149.05969	6.6
149.09633	1.5
150.06664	1.8
151.07524	17.9
153.01784	1.4
157.06442	1.9
159.09151	2.4
161.05930	5.6
161.09576	5.4
163.07516	100.0
165.09039	3.0
167.06964	3.4
167.08382	1.6
167.10661	5.8
171.08008	2.4
173.07072	2.4
173.10721	1.9
175.07436	7.6
175.08450	1.6
175.08795	2.8
181.04918	1.6
185.11720	2.3
189.09067	21.2
189.19682	1.3
193.06488	1.7
193.08566	2.0
195.08014	2.0
195.10049	2.0
198.99500	1.6
207.10097	16.1
211.07535	2.7
214.07738	1.5
218.09273	3.6
219.07594	2.8
223.07498	1.8
239.06909	1.9
241.08644	2.5
242.04663	1.5
253.08601	1.7
253.12233	1.9
267.10278	1.5
271.09583	8.6
273.11316	4.1
285.11240	1.5
297.11121	2.2
299.12799	9.6
317.13788	60.1
318.13980	2.4
329.13968	2.0
334.13910	1.7
352.14911	5.9
364.56140	1.3
415.57437	1.4
424.30545	3.6
434.19339	2.2
442.31439	4.7
460.16882	1.7
460.32364	5.1
478.18036	5.3
478.33514	4.2
496.18723	6.2
513.39807	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01865	0.5
56.96558	0.4
57.03435	0.4
61.02914	0.6
67.40908	0.2
69.03420	3.3
71.01199	0.8
71.04984	0.7
73.02931	0.3
75.39148	0.3
79.01846	2.0
79.05480	0.4
81.03410	5.0
81.07040	0.3
83.04994	0.3
85.02895	4.7
95.47552	0.2
97.02884	5.4
97.06557	0.3
98.97556	0.8
99.04446	0.6
99.37437	0.3
107.01291	1.1
109.02867	4.7
111.04409	0.3
121.02878	0.3
125.02325	3.3
127.03908	8.2
137.02341	0.4
139.03828	0.4
143.03378	3.5
145.04950	1.2
147.04391	0.3
149.05940	0.3
153.01813	100.0
154.02156	1.2
155.03348	0.4
158.99640	0.3
161.01213	0.3
167.07040	0.6
171.02876	16.1
197.61127	0.3
208.89693	0.3
219.01688	0.5
237.02769	0.5
279.04980	1.3
297.06009	7.7
303.01288	1.1
304.01688	0.3
305.05276	0.3
315.07065	28.8
316.07443	0.6
317.08688	0.5
487.01517	0.3
496.02432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
55.05503	24.0
56.96545	1.0
57.03429	10.3
57.07061	3.9
59.04985	1.3
61.02884	0.9
65.03910	3.8
67.05495	59.8
69.03415	4.6
69.06712	1.4
69.07057	20.6
71.01323	0.9
71.04981	9.6
72.58611	0.9
73.02892	1.9
73.06565	1.4
79.05482	39.7
81.03407	42.6
81.07046	100.0
82.07339	1.1
83.04967	16.3
83.08606	21.4
85.02412	1.4
85.02891	19.8
85.06527	7.0
86.25349	0.8
87.04417	1.1
91.05470	49.8
93.07030	41.3
95.04956	20.7
95.08595	26.7
97.02878	3.5
97.06523	10.0
97.10158	6.5
99.04424	1.9
99.08054	5.7
101.02444	0.9
101.06001	1.0
103.05433	0.9
105.07017	45.1
105.67312	0.9
106.07351	0.9
107.04933	8.1
107.08585	24.5
109.06501	6.7
109.10138	10.5
111.04414	5.2
111.08054	9.6
113.05978	2.8
117.06998	5.5
119.08564	38.2
120.08933	1.0
121.06483	3.1
121.10124	27.2
123.04371	1.0
123.08070	5.7
123.11697	23.8
125.09621	4.5
127.07506	2.5
127.11178	1.0
128.06241	1.2
129.05537	1.0
129.06993	10.3
131.08562	12.4
133.06435	3.0
133.10097	14.2
135.08015	2.1
135.11679	5.4
137.09575	2.9
137.13246	1.7
139.11072	1.0
142.07777	2.7
143.08496	1.4
145.06378	0.9
145.10101	7.1
147.07999	3.1
147.11664	52.1
149.09589	4.6
149.13274	6.1
151.07420	0.9
151.11174	1.5
153.12747	1.3
155.08394	0.9
157.10098	10.0
159.11687	3.6
163.11209	5.0
165.12729	21.1
169.10173	1.1
173.09544	1.6
173.11769	1.5
173.13185	1.0
175.11163	10.6
177.12691	2.1
181.12199	2.4
183.13831	3.9
189.11165	1.1
191.10643	2.5
192.68468	0.9
193.12216	35.8
195.13745	3.5
199.11243	0.9
199.13174	0.9
205.12289	0.8
209.11707	3.5
211.13258	44.2
227.12769	5.0
229.14233	5.5
229.68033	1.0
267.15878	51.8
268.16373	1.0
269.17422	5.0
283.15253	3.9
285.16934	10.0
309.16885	0.9
346.41498	0.8
348.47983	0.9
367.18311	1.0
367.22733	1.3
385.23712	3.4
423.27402	2.5
459.27301	3.9
477.28421	18.2
477.34595	0.7
478.28555	1.6
495.29404	89.3
496.29541	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	495.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01847	2.6
55.05505	15.4
57.03432	5.0
57.07062	2.2
59.04988	2.0
64.89523	0.8
65.03932	1.8
67.05495	40.8
69.03418	1.7
69.07059	18.2
69.27559	2.0
69.27973	7.3
71.04977	4.6
71.46848	0.7
79.05481	29.0
81.03403	11.3
81.07043	100.0
83.04971	8.7
83.08607	15.2
85.02893	6.9
85.06529	5.5
91.05464	32.2
93.07034	21.4
95.04966	9.8
95.08592	21.3
97.02882	1.7
97.06520	9.1
97.10178	2.1
98.21523	1.7
99.08064	3.8
99.23164	0.7
101.06006	1.1
105.04543	1.0
105.07014	47.6
107.04963	2.3
107.08572	15.9
109.06502	7.3
109.10133	2.6
111.04445	1.3
111.08058	3.8
113.05993	1.8
115.05453	0.8
117.06998	3.1
119.08564	35.3
121.06485	1.5
121.10127	25.1
123.08070	5.6
123.11688	32.8
125.09591	0.9
127.07548	3.3
129.07010	3.1
131.08600	4.7
133.10120	4.7
135.08069	1.1
135.11725	1.9
137.09610	1.1
137.13214	2.4
141.09068	1.1
142.07802	1.0
143.08586	1.1
145.10110	2.3
147.08037	1.7
147.11665	73.4
148.12025	1.1
149.09560	2.0
149.13277	2.0
153.12753	0.9
157.10133	3.3
159.11702	2.5
163.11183	2.1
165.12729	35.9
175.11169	3.7
183.13795	7.3
193.12228	13.3
195.13806	1.4
211.13252	15.4
229.14287	8.2
267.15878	57.9
269.17639	1.7
283.15210	1.2
285.16922	4.3
367.22772	1.4
385.23749	1.3
403.24973	1.0
449.29004	3.2
459.27548	3.2
477.28488	15.0
495.29477	86.0
496.29953	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	495.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.8
55.01856	3.4
55.05500	21.3
57.03425	10.9
57.07062	1.7
59.04996	2.1
65.03928	2.5
67.05492	41.4
67.15202	0.9
69.03405	2.7
69.07058	18.6
69.53679	4.4
69.54105	4.8
71.04990	6.6
79.05474	39.6
81.03403	55.7
81.07042	100.0
83.04967	17.6
83.08601	24.4
85.02409	2.1
85.02888	24.2
85.06535	7.5
91.05466	47.4
93.07030	24.3
95.04951	24.1
95.08588	22.5
97.02876	2.8
97.06510	7.4
97.10157	3.8
99.08069	4.4
101.05981	2.4
102.79195	1.1
103.05445	1.2
105.07011	49.9
107.04946	7.4
107.08570	18.7
109.06493	7.8
109.10159	3.4
111.04422	3.8
111.08075	9.7
113.06003	2.8
117.07005	3.3
119.08554	44.4
119.89375	1.2
121.06481	1.9
121.10122	28.5
123.08041	5.6
123.11681	30.4
125.09575	1.6
127.07541	4.9
129.06964	9.0
131.08568	9.1
133.06493	1.9
133.10110	9.9
135.07964	1.2
135.11664	2.4
137.05960	1.3
137.09662	2.7
137.13277	2.2
142.07761	1.9
145.10129	2.9
147.07979	2.7
147.11662	70.0
148.12032	1.5
149.09633	5.3
149.13298	1.4
151.11084	1.6
157.10127	11.2
163.11127	1.4
165.12724	27.7
175.11124	9.8
183.13811	3.0
193.12212	50.6
209.11646	1.3
211.13254	57.3
212.44823	1.2
229.14316	5.3
231.13721	1.3
267.15866	70.0
268.16354	1.4
285.16907	13.9
385.23355	1.7
459.27277	2.8
477.28360	14.9
495.29443	98.2
496.29642	5.3
496.91678	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64056	0.8
53.03931	4.1
55.01855	3.0
55.05501	17.7
57.03425	11.1
59.04993	1.8
65.03913	1.7
67.05495	27.9
69.03425	4.7
69.07059	5.8
69.79615	5.7
71.04986	7.2
78.96287	0.8
79.05484	26.4
81.03410	63.6
81.07044	31.4
83.04975	15.2
83.08611	22.2
85.02893	35.8
85.03422	1.5
85.06520	2.1
87.04468	1.1
91.05469	37.9
91.21699	0.9
93.07033	18.4
95.04955	30.1
95.08585	10.7
97.02888	2.7
97.06519	3.7
97.10138	5.3
98.20763	1.7
99.08038	0.9
105.04507	0.8
105.07017	26.3
107.04932	6.0
107.08582	8.2
109.06520	6.2
109.10136	3.7
111.04424	3.5
111.08064	13.0
113.05965	2.8
115.05467	2.0
117.06986	2.4
119.08569	21.6
121.06462	1.5
121.10143	11.3
123.08041	2.7
123.11696	2.2
125.09610	1.6
129.06990	11.8
131.08542	13.1
133.06468	3.7
133.10107	11.8
134.47873	0.9
135.08049	1.5
137.06015	0.9
137.09566	2.7
142.07774	3.3
145.10120	1.9
147.08029	3.5
147.11653	17.0
149.09567	5.0
149.13170	1.0
157.10115	14.8
163.11182	2.3
164.89616	0.8
165.12715	3.7
175.11166	17.0
181.33646	0.8
193.12215	55.4
194.12498	1.1
194.72435	0.9
211.13261	73.8
212.13664	1.6
227.12828	1.3
267.15875	11.7
285.16928	3.9
308.41251	0.9
385.23557	2.5
403.24487	0.9
451.26871	1.1
459.27432	3.2
477.28482	8.3
495.29462	100.0
496.29803	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	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.05265	0.8
55.05509	14.9
57.03432	10.0
57.07063	0.8
59.04992	1.4
65.03929	2.9
67.05499	26.6
68.31341	0.7
69.03417	3.8
69.06773	0.7
69.07061	8.2
70.20602	2.9
71.01326	0.7
71.04988	6.7
79.05485	26.3
80.51122	0.7
81.03411	63.5
81.07050	36.2
82.03756	1.0
83.04977	12.6
83.08128	1.4
83.08613	25.4
85.02898	35.7
85.06525	3.3
91.05472	33.7
92.67896	0.7
93.07038	19.7
95.04350	1.4
95.04958	27.7
95.08602	11.9
97.02892	4.4
97.06532	4.5
97.10169	6.5
99.08086	1.6
105.07019	27.3
107.04945	8.2
107.08593	9.6
109.06517	5.6
109.10153	5.0
111.04414	3.6
111.08074	12.4
113.05996	3.1
115.05468	1.3
117.06990	2.1
119.04921	0.9
119.08569	21.6
121.02814	1.0
121.06485	2.8
121.10128	10.6
123.08070	2.9
123.10891	0.8
123.11651	3.6
125.09595	3.3
128.06215	1.5
129.06989	12.4
131.08560	14.1
132.26878	0.9
133.06474	3.1
133.10132	11.6
135.08070	1.5
135.11662	1.6
137.06009	1.7
137.09613	2.0
139.11209	1.1
141.06960	1.1
142.07745	3.0
145.06485	0.8
145.10117	2.3
147.08052	3.0
147.11670	14.6
149.09601	6.8
149.13286	0.8
151.07504	0.9
151.11145	1.1
157.10106	12.7
159.11658	0.8
161.09563	0.9
163.11134	1.7
165.12743	3.0
167.07065	1.2
169.15829	1.1
175.11163	16.1
189.69519	0.8
193.12221	53.2
194.12514	1.2
211.13274	77.6
212.13603	1.4
219.13763	0.8
227.12782	1.2
267.15872	9.7
267.18509	0.8
285.16916	4.5
321.56522	0.8
339.23499	1.2
359.22299	1.3
367.22751	2.4
385.23636	2.8
393.37173	0.7
403.24652	1.9
431.28168	0.8
433.26178	1.6
447.34940	0.7
459.27151	5.1
477.28226	10.7
495.29507	100.0
496.22702	0.7
496.29929	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	495.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01862	3.1
55.05501	16.9
56.59805	0.9
57.03424	12.6
57.67012	1.0
59.04976	1.6
64.46831	1.3
65.03936	2.3
67.05494	29.3
67.05858	1.4
69.03417	5.5
69.07047	7.4
71.04977	6.9
71.07246	2.4
75.30026	1.2
79.05479	32.8
81.03402	70.7
81.07043	39.6
83.04961	14.2
83.08604	27.3
85.02891	39.4
85.03413	1.4
85.06528	2.3
91.04882	2.0
91.05460	40.0
93.07028	25.0
94.89510	1.0
95.04955	30.8
95.08596	14.3
97.02872	2.7
97.06498	6.4
97.10146	5.5
105.07015	26.3
107.04946	6.7
107.08582	9.9
109.06498	6.1
109.10146	4.4
111.04439	3.3
111.08048	13.7
113.05977	4.0
115.05434	2.9
115.64539	1.1
116.06182	1.0
117.07006	3.5
119.08561	22.1
121.06477	1.7
121.10114	13.4
123.08048	3.1
123.11682	3.1
125.09607	2.5
129.06979	11.8
131.08545	13.6
133.06485	3.1
133.10089	11.3
135.11647	1.4
137.09636	2.4
142.07765	3.8
145.10092	3.1
147.08043	4.4
147.11670	17.4
147.79901	1.2
149.09566	8.6
157.10095	18.2
163.11229	2.7
165.12727	4.1
175.11137	19.4
193.12210	58.5
194.12666	1.6
211.13252	85.2
267.15878	15.1
285.16864	5.3
349.21402	1.2
367.22742	1.2
369.07657	1.3
385.23846	3.2
459.27295	4.7
477.28372	8.5
495.29471	100.0
496.23593	1.3
496.29950	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	495.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04209	1.9
53.03921	6.0
55.01859	4.3
55.05499	4.4
57.03409	3.6
57.62520	2.5
61.02902	2.6
67.05485	10.9
69.03424	12.5
69.07038	9.9
69.51188	16.6
71.04979	7.2
73.02894	2.6
79.05479	16.1
79.45104	2.2
79.70637	2.2
81.03409	17.3
81.07041	34.6
83.04980	12.2
83.08599	3.3
83.10345	2.0
85.02909	13.1
85.06516	10.3
86.68634	2.4
91.05462	13.5
93.07026	38.3
95.04949	8.6
95.08597	14.6
97.02859	8.3
97.06516	21.7
98.21413	5.6
99.04415	13.5
105.07006	27.0
107.04910	7.3
107.08585	27.4
109.02856	25.1
109.06495	20.0
109.10110	4.1
111.08063	10.9
117.06958	3.6
118.24259	2.4
119.04957	3.4
119.08553	12.8
121.06487	45.6
121.10130	10.5
123.08049	6.0
123.11670	6.8
125.05950	10.7
127.03899	27.8
127.07508	6.8
129.06964	3.3
131.04948	2.5
131.08566	4.7
133.06482	3.1
133.10109	11.6
135.04352	3.2
135.08037	13.4
135.11662	3.9
137.05951	41.9
137.09561	2.6
139.07520	10.2
142.07721	3.1
143.07028	7.7
143.08553	4.1
145.04968	4.0
145.10196	12.5
145.11128	2.7
147.04327	8.1
147.08000	5.4
147.11674	37.2
149.05901	4.9
149.09541	4.8
149.13235	6.4
151.07507	8.3
151.11143	4.2
153.01869	4.0
157.06435	2.6
157.08575	7.0
157.10100	11.1
159.11713	3.4
161.05966	8.7
161.13219	6.3
163.11124	9.1
165.09015	2.9
165.12784	17.1
167.10609	4.4
169.08618	3.6
169.12231	6.7
171.11655	13.3
173.09593	3.6
175.07515	9.5
175.11140	20.9
181.04921	2.5
181.12177	6.4
184.98386	2.8
187.06010	8.2
189.12700	13.9
191.10597	6.3
193.12253	23.7
199.11151	18.7
202.25211	3.1
205.07024	3.1
207.13867	14.8
209.11693	5.0
211.13289	16.0
217.12201	59.8
227.12807	11.4
229.14305	6.7
235.13261	82.8
235.15581	5.7
253.08629	3.4
253.14316	100.0
265.08505	3.2
271.15338	10.1
295.09943	2.6
297.11179	6.7
319.15192	3.9
323.13013	2.6
341.13809	8.2
343.14951	4.0
361.16370	5.3
379.17474	12.5
382.65179	2.8
397.18546	19.1
415.19641	4.5
469.97675	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	495.2428
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
50.14727	1.8
50.83694	1.7
53.03936	3.9
55.01862	4.5
55.05503	7.6
57.03430	3.3
58.24490	1.7
67.05482	9.1
69.03408	14.6
69.07047	13.5
71.04976	8.4
71.14581	4.6
73.02900	3.1
76.95538	1.9
77.23315	2.1
79.05479	17.7
81.03409	19.2
81.07043	34.9
83.04970	10.6
85.02905	10.3
85.06522	7.8
87.04424	2.3
91.05450	15.1
93.07036	33.2
95.04957	12.6
95.08590	17.8
97.02850	10.1
97.06509	26.0
99.04444	15.4
101.06048	3.2
105.07015	26.7
107.04967	2.9
107.08566	28.3
109.02860	28.7
109.06525	21.2
109.10146	4.8
111.08051	10.0
112.07639	2.1
113.05978	3.7
115.07558	1.8
117.07014	2.1
119.04927	2.4
119.08552	16.1
121.06484	43.2
121.10137	7.6
123.04422	2.6
123.08038	4.7
123.11678	6.8
125.05980	11.4
127.03896	24.7
127.07504	9.6
129.07019	3.5
131.04874	3.0
131.08574	5.7
133.02831	2.5
133.10091	14.3
135.04381	2.6
135.08061	12.7
135.11620	2.1
135.75372	1.8
137.05957	24.1
137.09557	2.4
139.07527	15.0
141.05460	3.4
143.07042	11.4
143.08556	4.5
145.04973	2.4
145.10094	7.0
147.04387	4.2
147.08040	6.4
147.11668	38.7
147.12770	2.7
149.13275	4.7
151.07516	5.3
153.01860	5.5
157.08595	10.2
157.10106	14.0
159.08011	2.6
161.05936	8.1
161.09564	3.6
161.13249	7.4
163.07536	4.2
163.11206	8.9
165.12744	19.9
167.06993	2.3
169.08643	3.5
169.12166	10.5
171.08128	1.9
171.10316	2.7
171.11632	13.7
173.09561	4.8
175.07545	6.2
175.11145	28.1
181.04839	2.6
181.08560	3.1
181.10118	4.4
181.12213	4.0
187.06003	8.2
189.12729	17.5
191.10637	5.4
193.12193	29.3
199.11180	19.1
199.12900	2.8
205.06970	3.7
207.13766	10.9
209.11644	3.2
211.13271	23.0
215.10678	2.1
217.12218	69.6
217.14285	4.2
227.12755	5.2
229.14352	6.8
235.13260	85.4
236.13728	2.7
251.12857	2.5
253.14314	100.0
254.14668	2.4
257.13806	2.3
271.15414	14.8
287.19153	2.2
289.16458	4.4
292.02774	2.0
295.09760	2.8
297.11185	6.7
301.14227	2.0
323.12781	3.1
335.09052	1.8
341.13965	5.2
361.16367	6.0
379.17316	10.3
397.18567	15.9
415.19696	4.3
478.98257	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1121
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03921	0.4
55.01856	0.7
55.05494	0.6
57.03416	1.2
61.02917	1.6
67.05476	0.7
68.99772	0.6
69.03416	3.9
69.99120	1.2
69.99524	0.6
70.06553	0.4
71.04980	0.7
72.95557	0.3
73.02887	0.6
77.61677	0.3
79.05469	0.6
81.03400	1.9
81.07038	1.1
85.02887	10.8
85.06536	0.3
87.04441	0.5
91.05455	0.3
93.03392	0.3
93.07013	0.9
95.04936	0.5
95.08580	0.3
97.02871	3.5
97.06509	0.3
98.21413	0.4
99.04411	0.7
99.08042	0.3
102.77307	0.3
103.05436	0.4
105.07021	0.7
107.04931	0.4
107.08591	0.7
108.02088	0.4
109.02872	2.4
109.10143	0.5
111.00771	0.8
111.04414	0.4
115.05540	0.3
119.08575	0.5
121.06521	0.4
121.10153	0.7
123.11646	0.3
127.03883	2.3
131.04851	0.7
133.10086	0.5
135.07990	0.3
137.02315	0.8
137.05949	1.4
138.03175	0.3
139.03864	2.1
140.04552	0.4
143.08597	0.3
145.04944	1.7
145.06064	0.2
147.04399	0.4
147.11665	0.4
151.11124	0.3
153.01813	6.5
153.05443	0.3
153.12656	0.3
161.05870	0.3
163.03964	0.3
163.07513	1.2
164.07829	0.3
165.01816	2.3
166.02579	0.5
167.03349	1.6
167.06999	0.8
167.10777	0.4
177.09114	0.3
179.03358	0.6
183.02861	0.6
189.05394	0.3
193.04950	0.8
203.03448	0.3
206.05821	0.3
208.03630	0.6
210.01508	0.3
217.04961	2.9
219.02849	2.7
233.04385	1.1
234.05251	0.6
241.04915	0.5
243.03011	0.3
244.03528	1.5
245.04359	3.3
247.02190	0.3
259.05939	0.7
261.03763	0.9
273.03937	3.8
277.07031	1.4
287.05472	1.0
289.03287	2.4
290.04160	1.2
300.02631	0.4
301.03372	5.5
304.05563	0.8
315.04819	0.4
318.03644	9.3
333.05984	100.0
334.06287	2.4
441.84760	0.3
494.36697	0.5
495.01413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.076
Annotation	Myricetin 3-glucuronide
Peak:m/z	Relative Intensity
55.01861	0.4
55.13652	0.2
57.03414	1.1
67.05492	0.3
68.99780	1.1
69.03402	0.9
69.07065	0.3
69.69451	1.9
71.01350	2.1
71.04992	0.4
71.20909	0.3
71.21295	0.2
73.02906	3.3
75.04445	0.4
79.05461	0.5
81.03400	0.7
81.07042	0.4
85.02892	10.7
85.06551	0.3
86.54613	0.3
91.05447	0.3
93.07014	0.4
93.35028	0.2
95.01304	1.3
95.04935	0.4
95.08578	0.6
97.02870	1.2
98.21419	0.6
99.00801	1.0
101.02364	0.7
103.03912	0.7
107.04926	0.3
107.08585	0.4
109.02871	1.5
109.06438	0.3
109.10126	0.4
111.00776	2.2
111.04472	0.3
113.02360	3.9
121.02822	0.3
121.10155	0.3
123.08030	0.4
125.02330	0.3
127.03893	0.8
131.03394	3.2
132.95882	0.3
133.10176	0.3
137.02290	1.9
137.05962	0.4
137.09578	0.3
141.01782	1.7
143.03314	0.3
152.07066	0.4
153.01811	9.3
159.02867	1.8
161.05959	0.3
165.01820	3.2
167.06885	0.3
177.05475	0.4
178.99977	0.6
179.03404	1.6
179.06914	0.3
179.45033	0.3
181.04848	0.4
183.02898	1.2
183.04373	0.3
189.05479	0.4
193.01161	0.3
195.02896	0.6
197.13002	0.4
199.03865	0.3
203.03372	0.4
204.06526	0.3
207.02719	0.3
217.04919	3.3
221.04379	0.5
227.03389	0.6
235.05888	0.4
240.06467	0.4
244.03748	0.4
245.04385	4.7
255.02957	0.8
263.02200	0.3
263.05444	0.8
273.03867	4.4
290.04108	1.2
300.14331	0.2
301.03391	0.9
315.13339	0.4
316.68057	0.3
319.04437	100.0
320.04837	1.5
323.04193	0.8
333.14276	0.4
336.10709	0.4
365.05219	0.4
369.06430	0.3
411.15649	0.5
454.05725	0.3
494.18179	0.4
495.19266	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	495.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.5
53.63634	0.4
66.75881	0.4
67.01822	0.6
71.53284	0.7
71.53632	0.5
81.03401	6.2
85.02854	0.7
93.02130	0.5
95.01264	1.8
97.02856	0.9
105.03344	0.5
109.02864	14.4
121.02843	0.5
123.04430	0.6
127.03854	0.5
129.05397	0.7
133.02783	1.9
137.01376	0.5
137.02315	8.6
149.02303	1.0
151.03911	0.5
153.01704	0.6
163.03981	0.6
165.01796	6.4
166.02548	1.1
167.03354	0.7
168.06480	0.5
173.02325	1.0
177.01765	0.9
179.97346	0.4
189.01724	1.2
190.02557	0.5
193.01286	12.6
194.02032	0.9
195.02864	14.1
197.63881	0.5
201.01816	2.0
203.03366	0.5
213.01730	0.6
217.01216	1.8
219.02678	0.6
219.04584	0.5
225.05379	1.0
229.01254	1.6
231.02776	0.8
235.03877	1.3
237.05550	1.3
245.00700	1.0
246.01576	1.0
247.02193	2.1
251.03354	0.6
253.04997	2.1
253.46696	0.4
257.00800	6.9
259.02286	1.7
261.12131	0.4
263.03409	1.3
265.04889	1.3
273.00220	3.6
275.01712	5.4
276.02298	0.5
281.04443	3.1
285.00302	5.5
291.02786	1.3
293.04404	0.9
299.01978	1.1
300.99771	5.9
302.00522	5.6
303.01291	58.1
304.01694	3.0
308.03299	0.5
309.03906	2.6
313.03387	0.5
315.01224	2.9
319.02301	1.3
321.03931	1.3
323.01807	1.0
327.01312	0.6
328.99039	0.5
331.02182	0.7
337.03281	7.1
339.01331	0.9
341.02869	1.1
347.01926	2.2
349.03397	1.7
351.01352	1.1
352.99249	0.8
355.04428	1.2
363.01273	0.5
365.02814	8.5
374.94421	0.7
375.01236	2.0
377.02853	1.5
387.01212	0.8
392.95367	1.4
393.02350	8.3
403.00812	1.9
405.02390	2.0
421.01730	4.5
431.00336	3.4
438.01669	0.5
439.02908	2.5
449.01678	2.2
467.02225	1.3
477.00833	2.2
495.01865	100.0
496.02255	3.2
508.95123	0.5
522.95850	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.4
54.53092	3.5
55.01854	5.6
55.05500	17.0
57.03417	11.1
60.04512	5.6
61.02911	3.8
66.85309	3.1
67.05491	21.1
68.72054	3.0
69.03428	27.9
69.07070	21.2
69.44877	33.8
70.06572	8.5
71.04976	14.1
73.02923	5.8
79.05474	34.8
81.03418	30.4
81.07050	66.1
83.04987	19.7
85.02905	30.4
85.06526	13.6
87.04496	3.7
91.05465	24.2
93.06469	4.9
93.07037	72.6
94.07343	5.3
95.04954	14.1
95.08598	29.6
97.02900	28.0
97.06523	18.9
97.10155	3.4
99.04449	21.4
101.05998	6.7
105.07018	65.0
106.02901	3.8
107.04935	12.5
107.08586	58.3
109.02867	33.2
109.06486	23.9
109.10144	21.0
110.92004	3.7
111.04419	7.2
111.08112	4.8
117.07021	6.0
119.04935	4.6
119.08578	30.9
121.06496	46.1
121.10147	26.6
123.04376	4.1
123.08016	8.2
123.11695	12.5
124.03952	13.2
125.06037	5.6
127.03914	32.0
127.07536	10.9
129.05402	4.8
129.06969	5.6
131.04939	4.4
131.08511	10.1
133.06415	4.7
133.10098	22.3
135.04401	3.4
135.08031	15.3
135.11707	14.4
137.05971	22.3
139.07521	9.6
143.08563	11.8
145.04984	10.2
145.06381	3.8
145.10085	20.6
147.08014	8.2
147.11671	77.2
149.05952	5.8
149.09685	7.1
149.13231	8.5
151.07515	8.1
153.01871	6.2
153.09087	4.1
153.12639	5.3
155.07018	4.5
157.10158	17.7
161.05957	6.5
161.09645	4.4
161.13263	8.2
163.11192	32.4
165.09091	5.8
165.12743	29.3
167.06985	5.4
171.11684	19.1
173.09602	11.5
173.13249	4.3
175.11127	27.3
177.05534	8.9
181.12238	7.1
187.05994	4.0
187.11151	4.4
189.08984	4.4
189.12738	22.6
191.10651	16.3
193.12285	14.2
199.11215	22.5
205.06982	7.5
207.13770	15.4
209.11716	14.6
209.15369	7.0
211.13289	9.1
215.10771	5.5
217.12248	54.3
223.13292	4.4
227.12799	15.1
229.12344	3.5
229.14363	14.6
235.13251	92.8
236.13464	5.2
253.14354	100.0
254.24609	3.9
268.08304	4.1
271.15421	5.9
281.71054	3.7
297.16998	14.8
309.12503	6.0
310.80414	3.4
314.26837	5.0
332.28018	5.9
335.15005	7.2
337.16446	4.3
353.15945	21.1
355.17514	4.0
361.16263	10.6
369.14294	9.0
379.17435	13.1
397.18536	14.1
476.31180	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	493.3881
Annotation	Sipholenol G
Peak:m/z	Relative Intensity
51.80147	1.9
53.03938	3.7
53.12682	2.0
55.01861	6.0
55.05503	23.8
57.03421	6.6
57.07063	3.6
64.27443	2.1
67.05497	45.9
69.03403	5.9
69.07056	23.9
69.52728	2.2
70.79556	5.2
71.04977	9.2
79.05478	33.2
81.03404	20.6
81.07047	59.5
82.07349	2.4
83.04951	13.8
83.08595	18.2
85.02894	5.9
85.06476	3.6
91.05469	31.5
93.07030	39.8
95.04964	16.2
95.08591	40.6
97.02873	2.9
97.06493	6.6
97.10155	7.5
105.07013	35.8
107.04934	9.8
107.08580	86.9
108.08890	2.6
109.06496	10.0
109.10141	31.2
111.04426	5.2
111.08054	9.5
111.11700	2.4
117.07003	7.5
119.08562	45.5
119.09349	4.0
121.06468	7.0
121.10125	38.3
123.08067	12.8
123.11687	21.6
125.09621	7.0
127.11167	6.6
129.07005	4.2
131.08556	16.0
133.10104	22.5
135.08052	4.9
135.11673	27.9
137.09578	7.4
137.13237	5.9
139.07492	3.8
139.11127	2.2
143.08575	3.6
145.10091	17.2
147.08064	5.5
147.11678	24.7
149.09581	7.4
149.13229	10.4
151.11151	9.2
153.09070	9.1
153.12752	3.5
157.10081	5.1
159.11671	12.0
161.09625	3.9
161.13228	57.8
163.11107	11.4
163.14786	6.2
165.09245	2.7
165.12706	6.6
167.10658	2.7
171.11644	5.1
173.13214	10.9
175.11198	6.3
175.14793	15.6
177.12637	2.7
179.14281	100.0
181.12190	5.7
187.14816	3.8
189.11205	2.7
189.12766	5.0
189.16417	5.3
191.14259	3.1
193.12209	10.6
193.15871	11.0
195.13719	2.8
201.16298	3.8
203.17920	5.6
205.19476	9.4
209.11540	4.0
211.13271	7.9
213.16446	2.7
217.19452	4.5
227.12843	3.3
229.19408	5.4
247.20531	6.1
259.20514	3.2
265.21640	5.1
267.15866	14.5
283.15399	4.0
317.06335	10.5
373.74716	2.2
385.30725	2.7
393.31671	3.3
401.22910	3.4
411.32443	4.1
429.33517	6.9
439.36044	4.4
443.27515	2.4
457.37347	28.5
461.28949	4.2
475.26782	9.1
475.38605	16.8
493.27600	55.8
494.28043	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55523	0.8
53.03926	1.5
55.05505	11.9
56.37729	0.9
56.88450	1.0
57.03441	5.3
57.07071	28.3
67.05496	34.1
69.03400	1.2
69.07060	12.7
69.33197	10.9
71.01331	1.8
71.04960	2.6
71.08276	1.4
71.08627	19.5
79.05481	20.2
81.03400	4.2
81.07047	26.3
81.44891	0.9
83.04947	4.1
83.08606	11.9
85.06519	2.2
85.10170	10.9
91.05476	8.8
93.07030	25.7
95.04958	4.5
95.08601	22.5
95.09157	0.6
97.06512	5.7
97.10158	9.6
99.04403	1.1
99.08041	1.5
105.07031	3.9
107.04946	1.6
107.08578	16.4
109.10146	12.6
111.08015	1.5
111.11724	1.7
117.06933	1.9
117.45307	0.9
119.08574	3.3
121.10125	3.5
123.11691	3.7
125.09536	0.9
130.71082	0.9
133.10115	2.0
133.73805	1.0
135.11670	33.1
137.13188	1.7
145.10114	5.0
153.12753	1.9
163.11057	4.7
166.92238	0.9
181.12184	6.8
193.12219	1.3
193.50963	1.1
199.13264	1.5
221.22723	1.1
239.23679	9.3
313.14096	1.0
317.06696	1.6
493.18613	2.3
493.30942	5.3
493.38803	100.0
494.39151	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	493.2792
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03927	3.4
55.01864	8.0
55.05261	1.7
55.05504	21.0
55.05766	0.7
56.05809	1.0
57.03427	8.2
57.07061	1.4
59.04983	2.7
65.03925	2.4
65.09063	1.0
67.05499	29.8
69.03438	5.1
69.07052	10.8
70.08963	0.9
70.53117	1.0
70.83067	3.5
71.01344	1.9
71.04986	5.2
71.31792	1.0
77.03905	1.1
79.05486	31.3
79.05948	1.8
81.03410	41.0
81.07045	37.0
82.07377	1.3
83.01315	4.7
83.04970	15.5
83.08612	19.1
85.02901	14.5
85.06524	3.0
90.23355	1.0
91.05468	28.8
92.05796	1.1
93.07033	28.0
95.04959	23.3
95.08595	17.3
97.02879	4.4
97.06520	4.9
97.10159	7.8
98.10490	1.3
99.04418	2.8
99.08097	1.5
103.05428	1.3
105.07013	20.9
107.04944	11.5
107.08574	16.9
109.02850	1.4
109.06509	8.2
109.10140	9.5
111.04453	6.0
111.08059	7.5
113.06028	1.3
115.05415	1.5
117.06995	7.8
119.04910	1.1
119.08571	15.6
120.85925	0.9
121.02805	1.0
121.06507	5.8
121.10136	13.8
123.04406	2.9
123.08037	6.2
123.11690	4.6
125.05943	3.1
125.09621	5.9
127.03854	1.0
128.06230	1.9
129.07001	9.7
130.07805	1.4
131.04913	1.9
131.08553	11.0
133.06483	2.9
133.10109	10.1
135.08026	4.6
135.11662	10.5
137.05952	3.8
137.09630	3.6
142.07814	2.2
143.08551	1.5
145.06467	1.9
145.10083	11.9
147.04433	3.2
147.08043	3.1
147.11697	10.1
149.09610	4.4
149.13208	1.1
151.07550	1.6
151.11195	1.8
153.12730	3.0
155.08542	2.0
157.10104	7.0
159.08113	1.5
159.11708	2.2
161.09593	1.1
161.13251	1.3
163.07481	1.6
163.11150	12.6
165.09119	3.2
165.12749	2.4
167.07051	3.2
171.11676	1.3
173.09604	3.5
175.11209	8.0
181.12209	4.0
181.87791	1.1
189.09238	1.0
189.11229	3.0
191.10664	3.5
193.12216	26.2
201.12773	1.4
205.12257	1.5
209.11700	10.0
211.13281	31.8
213.12587	1.1
219.13721	2.3
220.14249	1.5
221.14261	1.1
227.12759	10.0
231.13882	1.2
235.13077	1.5
247.13086	1.8
249.14864	2.6
265.14221	1.6
267.15955	6.9
283.15253	6.4
317.06580	2.7
355.22473	1.1
359.52966	1.0
365.20868	1.2
373.23297	1.5
383.22165	2.9
401.23022	4.1
439.24796	1.2
447.26993	2.1
457.25616	3.0
461.27960	2.9
475.26672	13.7
493.27808	100.0
494.28247	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2789
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03926	3.8
55.01870	9.4
55.05503	24.0
57.03429	9.3
57.07066	1.4
57.39541	0.8
59.04984	2.0
65.03930	2.6
67.05495	33.9
69.03408	4.7
69.07059	8.6
69.94143	2.9
69.94555	2.7
71.01331	1.6
71.04986	5.7
73.09517	0.8
74.76218	0.8
79.05480	36.3
79.08434	0.8
81.03406	47.4
81.06565	1.8
81.07042	32.5
83.01317	3.5
83.04974	17.7
83.08605	20.4
84.41169	0.8
85.02893	15.6
85.06519	2.6
91.05464	30.8
93.06462	1.6
93.07029	28.7
95.04955	23.9
95.08601	15.6
97.02866	4.4
97.06519	7.8
97.10155	7.2
98.21375	1.2
99.04448	1.1
103.05481	1.7
105.07013	22.0
105.07672	1.7
107.04944	13.9
107.08577	17.0
109.02852	1.4
109.06483	7.4
109.10133	10.8
111.04409	6.8
111.08047	8.6
113.05982	1.8
115.05415	1.6
117.06989	8.4
117.79227	0.9
119.04941	1.9
119.08566	17.4
121.02888	4.1
121.06461	5.6
121.10120	12.0
123.04460	1.6
123.08044	7.3
123.11677	3.1
125.05965	2.0
125.09588	6.7
127.07447	0.9
128.06192	0.9
129.06984	9.4
130.07729	1.7
131.04878	1.5
131.08554	10.7
132.80118	0.9
133.06464	2.4
133.10112	8.3
135.04411	2.5
135.08070	3.3
135.11673	10.9
137.05937	3.0
137.09584	3.4
141.06984	0.9
142.07732	2.3
143.08514	2.0
145.06464	3.0
145.10104	11.6
147.04382	2.4
147.08023	4.4
147.11655	9.6
149.09560	5.5
151.03917	0.9
151.07542	1.3
151.11214	1.7
153.09074	1.5
153.12746	5.3
154.07823	0.8
155.08568	1.4
157.06514	1.0
157.10103	7.5
159.08075	1.4
159.11685	2.0
161.05957	1.5
161.09641	1.5
161.15840	0.9
163.11148	16.1
165.09094	2.4
165.12726	2.6
167.07013	1.0
169.10104	1.7
173.09590	3.4
173.11778	1.8
173.13150	1.1
175.11168	8.5
177.12668	0.9
181.12183	5.3
183.11711	1.5
185.13292	1.2
189.11206	3.7
191.10640	4.8
193.12212	29.6
201.12755	1.5
201.14622	0.9
209.11714	12.1
211.13242	32.3
219.13802	1.4
227.12756	12.1
229.12253	1.2
229.14296	3.0
231.13869	1.3
247.13295	9.6
249.14877	3.7
265.14331	3.1
267.15860	9.0
283.15359	8.4
317.06592	1.6
321.16885	1.6
327.23053	1.2
337.21716	1.0
355.22534	1.5
365.21307	1.7
371.09720	0.9
383.21945	4.2
401.23007	5.6
419.24387	1.6
421.25693	1.0
447.27594	1.1
457.25882	2.9
475.26871	24.5
476.26996	1.1
493.27875	100.0
494.28326	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2786
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03923	3.1
55.01863	8.4
55.05500	18.4
57.03433	8.1
57.07053	1.0
59.04989	1.9
62.80624	0.8
65.03939	1.8
67.05490	20.5
69.03404	3.0
69.07060	5.7
69.55099	4.9
71.04970	3.4
79.05482	25.4
81.03403	37.8
81.07044	24.6
83.01323	6.2
83.04971	13.2
83.08129	1.3
83.08605	18.6
85.02887	18.9
85.06516	2.0
91.05466	23.4
93.06462	1.5
93.07027	23.1
95.04952	18.9
95.08586	10.4
97.00072	0.7
97.02865	3.2
97.06525	4.8
97.10133	2.7
99.04426	2.1
99.08044	1.3
99.77293	0.8
103.05446	0.7
105.07012	14.5
107.04942	8.7
107.08562	12.5
109.06499	5.6
109.10136	3.6
111.04423	3.3
111.08061	8.5
113.06013	1.9
115.05393	1.0
117.06997	6.3
118.34922	0.7
119.08562	14.0
121.06487	4.2
121.10126	8.9
123.08044	5.5
123.11687	1.7
125.05951	1.9
125.09592	1.9
128.06207	1.1
129.06996	6.6
130.07822	0.8
131.08559	8.0
133.06485	2.1
133.10123	5.3
135.08018	2.3
135.11674	7.1
137.09587	2.1
142.07748	1.6
145.10110	9.7
147.07999	2.7
147.11661	9.2
149.09586	3.3
153.12692	2.6
155.08577	1.1
157.10085	8.2
163.11157	17.7
165.12717	2.2
173.09584	2.3
175.11177	7.5
181.12201	3.2
189.11166	0.9
191.10652	2.2
193.12210	35.5
209.11694	5.9
211.13248	45.0
227.12729	4.4
249.14862	1.1
267.15833	3.8
268.10034	0.8
283.15366	2.4
283.96170	0.8
285.17090	0.9
383.21982	2.1
401.23322	1.6
441.27582	0.9
461.29041	1.1
475.26843	5.8
493.27841	100.0
494.28198	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	493.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
55.01870	8.7
55.05251	2.3
55.05503	26.2
57.03431	11.4
57.07059	1.7
59.04977	2.2
65.03921	2.5
67.05495	38.9
69.03403	5.0
69.07061	11.3
70.15899	5.8
71.04989	6.7
73.02933	2.0
79.05482	43.3
81.03408	57.8
81.07047	39.7
83.01356	1.8
83.04971	17.1
83.08606	26.4
85.02897	15.3
85.06521	2.5
85.46279	1.2
91.05466	34.5
93.07027	40.2
93.07609	2.0
94.07385	1.7
95.04957	31.1
95.08031	2.7
95.08596	31.5
97.02866	4.5
97.06522	7.3
97.10147	8.5
99.04440	3.9
103.05435	1.6
105.07022	23.4
107.04945	16.3
107.08582	31.0
109.02822	1.5
109.06502	7.9
109.10143	13.1
111.04459	7.9
111.08069	8.3
113.06055	2.1
115.05449	2.0
117.07000	11.3
119.05018	1.4
119.08561	20.9
121.02834	6.3
121.06506	7.3
121.10126	16.0
123.04424	2.5
123.08070	5.3
123.11694	3.6
125.05975	3.0
125.09606	6.5
128.06175	1.6
129.06981	12.0
130.07785	1.8
131.08571	13.3
133.06441	4.4
133.10103	9.9
135.04373	3.0
135.08035	4.4
135.11674	27.4
137.05916	2.1
137.09593	2.6
142.07751	2.8
143.08563	2.3
145.10103	21.6
147.04341	2.1
147.08061	4.6
147.11650	12.1
149.09634	5.8
153.12714	4.9
155.08540	2.8
157.10107	9.5
159.11673	3.0
161.09531	1.9
163.11163	36.4
165.12737	3.0
171.10179	1.4
173.09621	3.4
173.13414	1.8
175.11185	7.9
175.42798	1.7
177.12869	1.5
181.12206	8.4
183.11674	3.0
187.11166	1.7
189.11151	3.2
191.10663	5.4
193.12225	32.8
203.14294	1.7
209.11732	5.4
211.13260	41.9
219.13737	2.4
227.12747	52.8
229.14377	4.1
247.13306	15.5
249.14932	4.9
265.14517	2.3
267.15927	21.9
283.15286	11.6
295.24368	1.5
313.25345	1.9
315.16122	1.7
317.06461	2.3
321.16989	4.0
355.22977	1.7
383.22055	4.7
401.23334	5.6
475.26874	34.1
493.27896	100.0
494.28323	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	493.2788
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.02371	1.0
53.03933	4.2
53.88573	0.6
55.01627	0.6
55.01863	10.2
55.05501	23.7
57.03426	10.3
57.07057	0.8
59.04974	2.8
65.03900	2.1
67.05492	29.3
69.03403	2.7
69.07055	9.3
71.01331	2.9
71.04987	5.9
79.05477	33.0
81.03402	47.5
81.07040	33.7
83.01322	6.6
83.04966	17.7
83.08606	22.4
85.02890	21.2
85.06506	2.2
91.05463	34.6
93.07024	34.2
95.04350	1.2
95.04950	22.1
95.08588	17.2
97.02864	4.1
97.06519	7.8
97.10157	5.6
99.04431	2.2
99.08076	1.5
103.05413	1.1
104.48395	0.6
105.04481	1.1
105.07008	25.0
107.04944	10.4
107.08578	16.8
109.06491	9.5
109.10126	6.1
111.04424	6.0
111.08061	9.3
113.05979	1.8
115.05421	1.7
116.85808	0.6
117.07002	8.3
119.04862	1.0
119.08563	19.5
121.06508	4.9
121.10111	13.6
123.04353	0.8
123.08043	7.7
123.11691	3.1
125.05960	2.0
125.09604	3.6
127.07542	0.6
128.06229	1.0
129.06975	8.8
130.07741	2.0
131.08543	9.6
133.06433	2.5
133.10118	9.6
135.08046	3.3
135.11668	11.2
137.05968	2.2
137.09576	2.5
137.13213	0.7
139.07527	0.9
142.07745	2.3
143.08519	1.7
145.06458	1.7
145.10100	13.6
147.08041	4.3
147.11670	11.9
149.09572	5.1
149.13225	1.6
151.07491	1.3
151.11087	1.5
153.09235	0.8
153.12686	4.7
155.08502	1.9
157.10120	8.3
159.11624	0.8
161.09570	0.8
163.11145	20.7
165.09097	1.2
165.12717	2.2
167.06937	0.7
171.11667	1.5
173.09592	2.7
173.13196	1.8
175.11169	9.4
175.53764	0.7
177.91394	0.6
180.28934	0.6
181.12212	3.6
187.11115	0.7
189.11172	0.8
189.12756	0.8
191.10626	3.4
193.12199	35.5
194.12564	0.7
195.13814	1.1
203.14180	0.9
209.11707	7.8
211.13235	43.4
212.13542	0.8
225.08920	0.6
227.12718	4.8
229.14372	1.1
229.47234	0.8
249.14851	1.4
265.14636	1.2
267.15869	5.3
283.15250	3.7
285.16980	1.2
316.24789	0.7
317.06308	4.2
380.54437	0.7
383.22025	3.0
401.23010	1.9
411.74167	0.8
453.43976	0.8
457.25354	1.4
475.26761	7.0
493.27838	100.0
494.27963	2.7
498.53586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2062
Annotation	Schizandriside
Peak:m/z	Relative Intensity
55.01853	2.7
55.05508	1.6
57.03416	5.2
65.03937	1.4
67.05487	2.4
69.03077	1.4
69.03426	20.9
71.00360	2.4
71.00697	1.4
71.04983	25.3
73.02908	2.3
75.04473	2.1
79.05464	4.8
81.03398	1.7
81.07027	4.3
83.04948	2.4
85.02899	39.6
87.04465	2.2
88.15047	1.4
91.05461	9.0
93.06993	2.9
94.14178	1.3
95.04943	5.6
97.02892	1.9
102.04701	1.6
103.05457	30.1
105.07004	7.5
107.04941	3.2
107.08559	3.7
109.06502	2.4
109.10145	2.7
111.04436	21.4
115.05415	3.9
117.07001	3.7
119.04924	8.2
119.08567	3.6
121.06490	6.6
122.03619	2.6
123.04408	2.6
124.05145	2.2
128.06223	1.7
129.05457	4.5
129.06931	2.4
130.04123	2.9
131.04913	100.0
132.05157	1.5
133.02824	7.4
133.06451	5.7
135.04367	3.3
137.05959	68.4
143.04868	1.4
143.08522	1.6
145.06502	7.3
146.03610	2.9
147.04396	34.8
147.06390	2.0
147.08023	8.1
147.11650	1.5
149.05960	13.5
150.06787	7.3
151.07539	8.6
152.01178	1.3
153.05406	1.5
157.06483	4.8
159.08018	3.9
161.05975	28.8
162.06729	21.3
163.03902	3.0
163.07526	80.1
165.05481	3.6
165.06879	1.5
167.06989	2.9
169.06407	2.7
171.04411	4.5
171.08034	5.9
173.05974	7.0
175.07536	20.0
177.05466	4.2
179.07077	9.1
180.07751	1.5
181.06538	2.0
181.08537	1.6
183.08087	2.0
184.05066	1.9
184.87869	1.6
185.05763	1.7
185.07182	3.3
187.07527	11.5
189.05399	2.8
189.09114	2.7
191.07068	9.2
193.08589	23.2
195.07913	1.8
197.05840	2.5
199.07526	9.4
201.09016	2.1
203.06998	3.7
204.70226	1.4
205.08551	7.2
211.07471	2.8
213.06696	1.9
213.09143	2.5
214.77132	1.6
215.06975	3.8
217.08556	18.4
229.08600	6.3
231.10075	2.3
233.07927	2.2
235.09752	4.9
237.09155	3.0
241.08696	2.1
247.09509	4.0
253.08562	2.0
259.09613	5.2
265.08527	2.5
271.09613	3.0
277.10706	2.0
282.08545	1.6
283.09763	2.5
285.11136	9.6
289.10834	2.8
291.09955	2.9
293.11594	1.9
297.11166	20.1
299.12674	3.6
303.12463	1.8
309.11224	2.4
311.12811	8.0
315.12363	7.6
317.13733	9.1
321.11105	2.0
323.12766	14.8
329.13593	3.0
339.11948	2.1
341.13724	7.9
347.14401	1.4
353.13849	2.1
365.13770	2.3
371.14716	2.5
383.14743	5.8
392.91824	1.5
409.16312	5.0
421.16504	2.9
427.17023	1.9
439.17575	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	493.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.3
69.03399	0.3
70.67342	0.8
71.04984	0.2
73.02882	0.3
81.03399	0.2
81.07050	0.2
84.20796	0.2
85.02888	0.4
91.05453	0.3
95.04975	0.3
97.02855	0.4
98.20773	0.2
99.44008	0.2
105.07028	0.5
109.02794	0.3
109.10126	0.3
115.03862	0.3
119.08532	0.2
119.57553	0.2
121.10124	0.2
127.03884	0.4
133.06425	0.4
133.36316	0.2
137.05994	0.2
140.07050	0.3
147.04428	0.6
148.07509	0.3
149.02333	1.5
150.02626	1.3
153.01830	1.5
159.06284	0.3
161.05901	0.3
161.07115	0.3
163.03940	1.0
164.04195	0.8
167.07002	0.4
179.06963	0.4
181.04893	1.1
182.05318	0.5
194.08092	0.4
198.09119	0.2
203.08131	0.4
213.07260	0.4
214.10970	0.2
215.11789	0.6
219.07021	0.2
227.11813	0.4
229.09579	0.3
243.11115	0.2
255.11189	0.6
257.12662	0.4
269.12738	0.5
271.10455	0.2
271.14447	0.3
287.13876	0.6
296.11255	0.6
297.12228	0.4
299.13855	1.5
303.10489	0.5
315.13333	1.4
316.14108	2.6
321.11469	1.5
331.12961	0.3
361.14655	0.4
363.12527	2.7
433.16766	8.8
434.17062	0.4
465.18665	0.8
475.17288	0.5
493.18744	100.0
494.19147	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	493.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
57.03433	0.3
67.05464	0.3
69.03414	0.5
69.07024	0.3
71.04978	0.3
71.06173	0.3
71.06519	0.5
83.04955	0.3
85.02894	0.9
91.05439	0.3
93.07010	0.3
94.06551	0.8
95.04944	0.4
97.02882	0.8
102.30166	0.2
105.07024	0.3
106.06544	0.3
107.07336	0.3
109.10115	0.3
110.48837	0.2
120.08085	0.8
121.08880	0.7
121.10130	0.4
124.07542	0.4
131.04985	0.3
132.08058	0.5
134.05981	0.8
137.05983	0.5
140.07019	0.4
146.06020	0.3
148.07544	1.8
149.02342	1.3
150.02650	0.6
152.07054	0.8
153.01846	0.9
160.07578	0.3
163.03889	0.9
164.04260	0.6
165.05431	0.4
168.06569	0.7
174.07838	1.3
175.08646	0.3
176.07057	0.7
181.04950	0.9
182.05310	0.7
190.08511	0.3
194.08105	1.9
198.09140	0.6
199.08681	0.8
200.09361	0.7
201.10222	1.7
202.11073	0.3
203.08202	0.4
204.06473	0.4
212.10847	0.3
213.10216	1.4
214.08820	0.3
214.11009	0.6
215.11810	2.2
216.12578	0.6
224.07106	0.3
225.10159	0.6
226.08781	0.3
227.08025	0.4
227.11716	2.2
228.12526	0.3
229.09673	1.2
229.13403	1.2
239.11784	0.9
241.09755	0.9
241.13263	0.7
242.10522	0.8
243.11092	1.3
244.11803	0.3
246.11226	0.5
253.13402	1.0
255.11221	2.2
256.11893	0.5
257.12726	1.3
259.10599	0.4
266.00543	0.3
269.12820	2.8
270.13425	0.5
271.14325	0.6
272.11224	0.4
273.12335	1.2
281.12775	1.3
283.10669	0.4
287.13901	3.4
288.14783	1.1
289.15454	0.8
295.11005	0.3
296.11209	2.3
297.12329	1.8
298.09601	0.5
298.13037	1.6
299.13864	7.2
301.11685	0.5
315.13330	6.7
316.14093	12.0
317.14795	1.5
321.11331	0.8
324.10822	0.9
351.11948	0.9
357.14584	0.3
363.12439	1.3
369.14551	0.6
375.15536	1.0
383.16125	0.4
391.15091	0.3
419.14160	0.6
429.16388	0.6
433.16684	3.9
439.99036	0.3
447.17203	0.8
451.68933	0.3
454.40381	0.3
465.18640	4.1
475.16736	1.5
493.18362	100.0
494.18765	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	493.0968
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
53.03921	0.2
61.02909	0.2
67.05489	0.2
69.03419	1.0
69.07063	0.2
69.30491	1.5
69.30915	0.4
70.06590	0.4
71.04990	0.3
73.02902	0.2
75.05560	0.3
77.03429	0.2
77.03870	0.2
79.05479	0.3
81.03410	1.4
81.07026	0.3
85.02894	0.9
89.06020	0.4
91.05447	0.4
92.60461	0.2
93.07021	0.4
95.04956	0.5
95.08567	0.2
97.02895	0.8
97.06524	0.2
99.04424	0.3
105.03362	0.7
105.07003	0.3
107.01278	1.0
107.08588	0.4
109.02866	1.3
109.06476	0.2
109.10125	0.3
111.04469	0.2
113.89397	0.2
115.03960	0.2
115.05431	0.2
117.05474	0.3
119.04923	0.2
121.06477	0.2
121.10088	0.3
123.04416	0.4
123.08034	0.2
125.02310	0.3
125.09592	0.4
127.03926	0.8
128.15640	0.2
131.04880	0.4
133.02841	0.5
133.06447	0.2
135.08142	0.2
137.05977	0.7
139.11182	0.3
140.04678	0.2
143.03416	0.3
145.05067	0.2
145.06348	0.2
147.04373	0.5
149.05914	0.2
149.09523	0.3
151.03874	2.5
151.07558	0.2
153.01808	6.1
154.02153	0.2
161.02324	4.3
161.05981	0.3
163.07516	0.5
167.03337	0.2
167.10629	0.4
171.02892	0.7
175.07478	0.2
179.03366	100.0
180.03714	1.9
181.04939	2.4
185.11641	0.3
205.04831	0.2
271.10583	0.2
287.13965	0.2
297.05984	0.7
315.13452	0.2
316.14032	0.2
317.02808	0.5
331.12683	0.6
441.24249	0.2
493.18088	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0969
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
55.01857	0.3
57.03428	0.9
57.22573	0.1
65.03915	0.2
67.01846	0.1
68.99789	0.2
69.03407	0.5
71.01343	1.8
73.02905	3.2
75.04471	0.2
77.50637	0.1
79.05505	0.1
81.03395	0.1
83.01315	0.2
85.02891	8.3
87.00823	0.1
89.02390	0.1
92.02595	0.7
93.03394	0.8
93.38128	0.1
95.01315	1.5
95.04964	0.1
97.02883	0.5
98.20705	0.2
99.00788	0.7
101.02351	0.6
103.03925	0.6
109.02838	0.1
111.00774	0.3
113.02351	4.0
117.01793	0.2
121.02837	0.8
126.03127	0.3
131.03377	2.6
135.04367	0.1
137.02312	0.2
137.05962	0.1
139.03893	0.7
141.01811	1.8
145.06456	0.1
149.02281	0.1
149.09608	0.1
151.03880	0.6
153.01801	6.0
154.02132	0.1
159.02869	2.0
163.03902	0.2
163.07588	0.1
165.01813	0.5
166.02539	0.1
167.07022	0.3
173.05907	0.1
177.03963	0.1
177.05473	0.2
183.02872	0.1
190.06425	0.1
200.04695	0.2
201.05479	0.6
203.03374	0.3
205.04845	0.1
217.04892	0.6
218.05753	0.4
219.02869	0.2
228.04163	1.0
229.04926	2.6
230.05254	0.1
231.02824	0.3
239.03288	0.1
241.89032	0.1
243.06329	0.1
245.04353	1.0
246.05209	1.2
256.03610	0.1
257.04416	2.1
258.04999	0.1
260.03162	0.3
261.07529	0.3
271.05981	0.2
273.03842	1.1
274.04678	3.2
275.04944	0.1
284.03156	0.3
285.03897	3.5
286.04416	0.2
287.01855	0.2
287.05579	0.1
288.06223	0.1
291.03159	0.1
301.03351	0.2
302.04163	10.4
303.04495	0.3
316.05795	0.2
317.06500	100.0
318.03113	0.2
318.06848	3.4
329.06519	0.1
359.07504	0.2
390.09885	0.1
514.42786	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	492.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.9
57.07061	2.5
67.05494	10.8
69.07063	7.9
69.70415	12.7
71.04990	11.5
79.05478	6.9
81.07047	17.5
83.08608	4.5
91.05465	5.8
93.07046	20.0
95.08603	22.7
97.06538	3.1
105.07030	14.0
106.92909	2.0
107.04917	2.0
107.08585	22.6
109.10160	25.2
111.08082	2.0
119.08570	33.4
121.10127	45.2
123.08065	5.2
123.11709	5.5
125.09603	2.5
127.11192	1.9
128.16400	1.9
131.08569	7.8
133.10112	22.5
135.11678	29.7
137.09621	5.9
137.13254	3.0
145.10120	13.1
147.11684	16.8
149.09564	4.0
149.13264	7.2
151.11192	2.9
159.11688	12.5
161.13274	6.6
163.11163	3.8
163.14885	2.6
173.13245	13.6
175.11324	1.9
175.14684	2.8
177.08923	1.6
180.91072	1.7
187.14821	3.2
189.16367	50.2
191.17949	5.1
193.12259	2.1
199.14706	1.7
207.17422	100.0
212.11333	2.1
215.17940	26.4
225.18472	55.0
225.20694	2.8
233.18999	22.7
249.18581	1.9
251.20059	24.8
317.06470	4.0
421.34650	2.0
439.35565	8.2
457.36716	15.4
492.30206	9.1
493.28314	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	492.404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16314	1.1
55.05489	3.7
57.07048	1.6
67.05479	4.8
69.07058	7.8
69.64457	9.2
71.04981	7.6
79.05464	3.2
81.03432	1.6
81.07050	13.6
83.08617	3.0
85.75048	1.2
91.05435	1.5
93.07025	8.3
95.08601	19.4
105.07033	7.1
107.08574	15.7
109.06512	1.2
109.10146	14.3
117.06974	1.8
119.08547	17.8
121.10133	15.5
123.11675	4.9
125.09638	1.9
127.11186	13.9
131.08551	6.1
133.10107	25.1
135.11674	6.4
137.09570	2.8
137.13205	4.4
143.08549	2.6
144.72137	1.2
145.10091	13.1
147.11664	8.9
149.13234	5.8
155.16939	1.5
157.10085	5.6
158.10782	2.7
159.11661	20.1
161.13235	9.6
163.11137	1.4
163.14789	4.3
169.10048	3.2
170.10901	2.2
171.11650	5.5
172.12448	2.0
173.13214	14.9
175.14854	9.9
177.16255	2.3
183.11690	2.8
184.12373	2.3
185.13258	8.6
187.14819	12.6
189.16400	6.7
191.14265	8.5
191.17949	3.1
197.13202	4.1
199.14798	26.1
201.16350	63.6
202.16574	1.5
203.17891	1.8
205.15826	2.2
211.14801	3.2
213.16322	4.6
215.17926	6.0
217.15768	2.0
217.19583	3.2
219.17287	1.6
225.16386	4.5
227.17918	3.2
229.19435	2.8
235.20410	3.1
239.17880	2.3
241.19415	1.9
245.19092	1.5
253.19435	1.9
259.20474	3.0
267.21069	3.1
277.21616	2.9
279.20715	1.3
281.22589	2.4
285.22525	1.3
317.06366	1.5
335.27502	6.1
352.94556	1.3
403.33514	12.6
421.34586	100.0
422.34912	4.3
422.65302	1.4
439.35657	50.5
457.36768	34.9
458.37015	1.5
492.30090	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	492.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	7.4
57.07051	2.2
65.23482	1.4
67.05491	12.5
69.03396	2.2
69.07047	9.0
70.19174	7.9
71.04980	17.2
72.95672	1.8
77.97428	1.6
79.05499	8.4
81.03307	1.5
81.07049	20.1
81.73508	1.7
82.07365	2.0
83.08611	4.1
85.02922	1.8
85.06508	1.6
87.82877	1.6
89.05989	2.5
91.05477	9.4
91.41482	1.7
93.07034	25.4
95.04951	4.0
95.08591	28.7
97.06505	4.5
97.10152	3.0
99.08096	7.8
105.07026	26.3
107.08586	31.1
109.06483	3.7
109.10141	26.2
111.08042	2.8
117.06998	2.2
119.07777	2.8
119.08565	33.4
120.08900	2.9
121.09314	2.4
121.10130	39.2
122.10433	4.5
123.08057	3.0
123.11691	13.6
125.09591	7.0
127.07505	2.2
127.11192	25.7
129.07037	2.1
131.08575	11.7
133.10109	27.2
135.11662	25.9
137.09593	5.7
137.13231	3.5
139.11095	2.0
143.08516	5.7
145.10098	25.2
147.08032	3.5
147.11678	30.9
148.12067	2.0
149.09528	4.6
149.13226	10.3
151.11115	3.2
153.12758	2.9
155.10690	1.7
157.10121	13.8
158.10954	3.4
159.11664	25.4
161.09564	6.0
161.13220	11.3
163.11171	13.3
163.14804	4.0
165.12805	2.3
169.10187	2.6
171.11688	9.4
173.13214	18.0
175.11185	3.3
175.14848	9.6
179.14314	3.7
183.11671	4.7
183.13707	2.6
185.13219	7.9
187.14809	16.9
189.16351	28.9
189.17909	3.0
191.17856	2.1
196.12325	1.6
197.13235	4.3
199.14801	16.4
201.16374	9.1
203.17957	8.0
205.15869	3.9
207.17401	22.3
209.13393	1.7
211.14798	2.9
213.16359	8.3
215.17882	10.5
217.15784	7.7
219.17366	5.0
225.16338	2.6
227.17830	3.8
229.19479	4.3
231.17387	4.4
233.18939	6.4
235.16872	8.0
239.17973	2.2
247.16888	2.5
249.18442	10.7
251.19971	2.9
255.20947	3.2
255.51749	2.1
267.20990	4.1
269.22543	3.9
273.22028	1.9
281.22543	2.8
285.21970	10.0
287.23633	2.5
299.23624	2.6
325.25333	3.9
335.27316	2.2
341.28314	2.2
353.28409	3.1
359.29236	2.1
369.31366	2.5
371.29199	2.3
403.33414	2.4
410.34927	7.6
421.34650	26.5
428.35989	3.7
438.34891	2.1
439.35648	68.2
440.35913	3.5
456.35556	3.7
457.36703	100.0
458.37015	1.7
474.36914	2.2
492.30188	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	492.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	4.2
55.05492	19.7
55.88029	5.0
57.07057	4.5
66.01272	3.7
67.05505	29.1
69.07065	27.4
70.21911	9.4
70.22313	16.4
71.04987	43.8
79.05474	16.6
81.07053	45.5
83.04997	5.2
83.08598	23.0
85.06528	5.3
91.05466	25.0
93.07031	53.0
95.04964	11.5
95.08596	84.5
97.10129	10.9
99.08057	10.9
105.07018	64.0
107.08580	95.1
109.06522	6.7
109.10145	66.8
111.08060	4.9
113.41890	4.6
117.07005	6.6
119.07780	6.4
119.08567	75.4
121.09303	6.3
121.10123	75.9
123.08008	5.3
123.11686	34.4
125.09609	16.3
125.62075	3.7
127.11172	86.4
131.08556	14.4
133.10123	62.7
135.08044	8.0
135.11676	80.7
137.09630	7.2
137.13242	12.0
139.07547	3.9
145.10089	22.8
147.11662	32.1
149.09589	7.2
149.13239	35.9
157.10069	7.7
159.11641	26.7
161.13232	100.0
163.14778	17.0
165.12778	4.9
171.11626	7.5
173.13182	25.0
175.11203	5.3
175.14896	31.2
177.16342	12.8
179.14236	14.3
185.13254	4.4
187.14748	18.3
189.16371	17.5
191.14240	5.7
191.17929	29.5
201.16443	11.6
203.17897	45.2
217.19496	16.5
219.17575	6.4
221.19044	31.5
229.19464	17.1
231.21043	9.5
235.20526	8.1
245.19209	4.9
247.20572	55.5
249.18478	37.0
265.21655	7.3
267.19482	8.4
277.21594	6.0
305.90927	5.3
317.06323	6.1
383.81973	4.4
421.34512	12.5
431.35052	17.8
439.35712	61.3
440.36279	4.8
445.36584	8.7
457.30624	7.1
457.36789	98.1
475.31882	7.0
475.37833	80.3
492.30185	12.4
492.36893	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	492.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01854	7.4
55.05496	7.4
57.03427	6.1
57.07056	2.6
58.05398	2.7
67.05494	12.9
69.03419	28.5
69.07057	16.0
69.84242	11.4
69.84651	7.1
71.01336	3.0
71.04983	16.0
73.02914	18.2
77.03902	2.9
79.05482	26.4
81.03402	20.9
81.06640	3.3
81.07056	41.9
83.04968	18.5
85.02895	41.7
85.06532	17.7
87.04449	3.7
91.05472	26.5
93.06489	3.0
93.07034	41.3
95.04960	18.5
95.08596	12.6
97.02888	24.7
97.06528	29.2
98.21413	5.3
99.04444	36.0
101.06030	2.7
103.05447	5.5
105.07016	55.9
106.02901	5.0
106.07337	3.0
107.04952	11.5
107.08575	41.0
108.08860	4.1
109.02865	19.0
109.06502	32.7
109.10135	10.6
111.04470	6.3
111.08012	2.9
113.05983	7.9
115.03923	4.1
117.06998	12.2
119.04930	6.9
119.06150	2.8
119.08573	30.6
121.02901	3.7
121.06497	20.5
121.10146	39.4
123.04423	6.6
123.08038	6.8
123.11643	4.6
124.03949	21.9
125.06000	18.8
127.03907	21.9
127.07545	22.4
128.06238	4.2
129.07010	5.1
130.07797	3.8
131.04898	4.4
131.08548	28.4
133.06464	7.7
133.10117	25.7
135.04391	8.0
135.08025	11.0
135.11665	14.8
137.05951	48.7
137.09589	5.5
138.06303	3.8
139.07494	4.3
139.11147	2.8
143.07028	18.5
143.08568	13.9
144.09326	3.8
145.04930	9.4
145.06470	11.2
145.10101	100.0
147.04356	3.2
147.08051	9.3
147.11665	8.9
149.09654	6.0
151.03900	3.6
151.07523	24.0
152.07932	3.3
153.01816	5.3
153.05444	9.9
155.07019	8.5
155.08528	3.0
157.10141	4.7
158.07265	3.3
159.08015	12.0
159.11673	35.0
161.05934	10.5
161.09563	17.2
163.07481	9.0
163.11160	55.6
165.09084	12.7
167.07034	21.5
168.07338	8.4
169.10112	10.1
171.08020	6.1
173.05956	5.1
173.09602	51.4
175.07526	8.1
176.08000	3.6
177.05415	6.2
177.09073	4.0
177.12743	2.7
179.10674	7.0
181.04903	6.5
181.08652	2.9
181.12224	29.7
185.09581	3.5
187.11165	76.2
189.09129	7.5
189.12680	6.5
191.07014	4.4
191.10651	42.8
193.08623	3.2
197.09464	3.4
203.10612	4.0
205.12228	56.0
207.10149	4.9
207.13872	5.0
209.07849	4.0
209.11685	10.7
215.10658	45.0
217.08672	3.5
223.13208	4.2
229.12210	4.6
233.11714	58.2
251.12750	73.0
267.12070	3.8
268.08130	6.7
268.84918	2.6
269.13785	24.0
277.08289	4.0
286.09189	8.1
288.05783	3.8
289.14331	4.4
296.09885	3.3
297.11197	3.6
299.12570	3.7
300.51422	3.2
307.15402	3.5
313.19666	3.0
315.04614	4.7
317.06488	23.5
317.13773	4.1
325.16547	12.7
331.08054	7.1
341.13525	3.1
342.14493	3.5
359.14743	16.2
377.15906	45.2
378.16263	2.9
395.17001	74.7
398.35532	2.8
413.18027	81.9
462.17566	3.0
474.20099	4.5
492.21063	16.3
492.27475	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	492.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	14.5
55.01863	6.4
55.05502	10.5
57.01419	3.1
57.03421	8.9
57.07064	3.3
61.02908	5.6
67.05493	24.1
69.03419	52.2
69.07066	20.4
70.03767	3.7
70.06586	4.6
70.73891	10.2
71.01316	3.3
71.04979	21.6
73.02898	7.4
78.11900	3.1
79.05476	26.9
81.03400	34.6
81.07049	49.1
82.03704	4.5
82.07330	3.3
83.04966	40.8
84.08137	3.4
85.02892	47.1
85.06529	31.1
85.72273	3.1
87.04455	7.4
91.05448	29.0
93.07027	53.7
95.04963	31.5
95.08584	25.4
97.02885	48.5
97.06511	37.2
98.03215	8.9
99.04440	33.7
99.08054	3.6
101.05984	4.5
103.05452	7.6
105.07012	68.8
107.04940	25.2
107.08582	38.3
108.08911	4.5
109.02856	36.2
109.06499	38.7
109.10154	12.1
110.03204	5.5
111.04440	10.3
111.08073	7.2
113.05992	9.4
115.05467	3.9
117.06990	12.9
119.04913	6.6
119.08553	25.3
121.02866	4.9
121.06484	21.2
121.10120	34.8
123.04400	8.6
123.08048	9.3
123.11658	5.2
125.05981	42.3
125.09633	4.3
127.03905	35.0
127.07544	24.8
129.07010	8.8
131.04881	12.7
131.08554	28.8
133.06468	11.7
133.10088	18.3
133.14299	3.1
135.04425	10.7
135.08054	16.4
135.11642	16.4
137.05946	50.3
137.09566	4.0
138.06339	5.7
139.07562	4.5
139.11104	3.2
140.03343	3.5
141.05461	3.4
143.07034	46.8
143.08522	11.1
144.09265	4.7
145.04919	17.1
145.06410	8.3
145.10101	93.0
146.05305	5.4
147.04379	7.9
147.08044	9.3
147.11676	7.6
149.05972	7.1
149.09598	11.8
149.13341	2.9
151.03862	6.9
151.07527	29.9
153.01797	13.1
153.05424	13.9
154.07762	3.5
155.07018	4.1
155.08601	3.2
157.06418	3.4
157.08711	3.2
157.10139	9.1
159.08032	11.0
159.11659	34.4
161.05969	15.0
161.09601	11.4
161.13199	4.4
162.06270	4.2
163.07507	13.6
163.11166	49.2
165.09077	10.7
166.09454	4.5
167.07027	20.0
167.10678	3.2
168.07439	3.3
169.08659	6.3
169.10106	14.9
171.08046	7.7
171.11696	3.3
173.09593	44.8
175.07567	7.0
175.11165	6.4
176.07852	4.2
177.09050	3.8
177.12816	5.5
181.12204	24.0
187.07524	4.2
187.11154	74.9
189.09096	6.6
189.12672	4.2
191.06964	4.8
191.10648	45.1
197.09529	7.4
203.10629	3.6
205.08672	4.0
205.12218	46.3
207.10138	6.6
209.11600	18.3
213.09146	4.7
215.10634	41.1
217.08659	7.7
223.13239	4.0
227.12737	12.5
233.11682	49.0
235.09583	5.7
249.18457	4.7
251.12747	67.0
267.12247	6.4
269.13785	34.8
272.18890	3.2
287.02417	2.2
287.05450	61.1
287.11200	11.2
288.05792	91.1
289.05988	4.5
296.10144	3.1
299.12787	5.2
310.12003	5.0
317.06497	19.7
331.15460	6.3
335.14874	6.0
353.15918	5.3
359.14777	22.5
371.16830	4.4
377.15863	58.8
378.16196	4.0
395.11807	4.5
395.16971	89.5
396.17328	5.1
413.18051	100.0
475.19577	4.1
492.20480	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	492.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94817	0.6
53.03932	1.0
54.58422	0.6
55.05492	2.3
57.03408	1.0
57.07069	1.2
58.99569	1.4
61.02900	1.4
64.36503	0.7
67.05484	1.5
69.03417	36.7
69.07043	2.9
70.67441	2.6
71.04964	1.3
76.02219	3.4
78.24105	0.7
79.05466	1.8
81.03394	2.0
81.07040	4.8
83.04948	2.8
83.05390	0.7
83.08591	1.0
85.02883	11.2
85.06507	2.6
86.08779	0.8
86.99036	0.8
90.29956	0.6
91.05448	2.8
93.07017	2.9
95.08592	7.4
97.02867	3.5
97.06527	3.4
105.00069	0.8
105.07001	4.1
107.04929	1.6
107.08571	10.9
109.02817	2.2
109.06485	3.6
109.07153	0.6
109.10125	2.0
111.08051	2.9
115.78030	0.6
119.08569	3.3
121.06479	2.6
121.10126	11.6
122.02709	23.1
123.08067	3.1
123.11700	6.7
125.09608	15.4
126.51909	0.7
127.03888	2.1
130.14977	0.8
131.04939	2.0
131.08569	4.4
133.10089	3.8
135.08026	9.8
135.11646	5.1
138.09122	1.6
145.04939	1.8
145.10091	2.2
147.04405	1.0
147.11626	3.4
149.09595	9.5
149.13210	2.8
151.11113	1.7
153.01813	1.5
153.09071	5.3
158.10852	3.1
163.07451	1.1
163.11139	1.8
163.14789	4.2
165.12733	2.3
166.08661	3.6
167.05302	1.3
167.10646	2.4
173.13234	18.3
176.11980	0.9
179.03442	0.8
182.08113	0.8
184.09525	0.6
188.08289	0.7
191.14276	62.9
192.14583	1.1
197.09781	0.8
208.35599	0.7
209.15331	100.0
210.15627	1.1
214.04736	0.8
223.11412	4.1
241.12531	5.4
330.13971	0.9
330.17395	11.3
376.38190	0.8
437.74649	0.6
492.21875	2.2
493.18127	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	13.4
57.07066	5.9
67.05500	21.4
69.07070	20.2
70.87865	7.2
71.04979	15.4
73.31190	2.3
79.05488	14.3
81.07056	25.5
83.04967	4.0
83.08600	7.8
83.68975	2.1
83.75431	2.7
85.06512	4.2
89.58588	2.1
91.05463	26.0
93.07036	38.6
95.04948	5.9
95.08598	38.2
96.08967	2.4
97.10140	5.0
99.04416	2.9
99.08086	7.6
105.07008	26.0
105.44957	2.0
106.07355	2.6
107.04933	2.7
107.08583	100.0
109.06507	5.0
109.10139	36.0
111.08070	6.1
111.11701	2.3
112.76682	2.3
117.06972	3.6
119.08574	57.0
120.08881	2.6
121.06447	3.5
121.09319	3.6
121.10132	50.4
123.08063	5.0
123.11709	16.8
125.09615	7.2
127.11185	31.8
129.06975	3.7
131.08543	9.4
133.10110	40.9
135.08017	4.4
135.11668	47.2
137.09552	3.6
137.13257	4.6
143.08556	4.4
145.10129	19.8
146.10378	2.5
147.11673	30.7
148.12099	2.7
149.09593	6.4
149.13232	19.6
151.11179	5.0
152.11525	2.4
154.68970	2.4
157.10091	6.8
159.11679	25.6
161.13243	31.5
163.11125	5.8
163.14816	5.0
165.09044	5.4
165.12703	3.2
167.10677	21.8
171.11621	4.9
173.13225	22.6
175.11232	4.1
175.14801	29.4
177.16295	4.6
179.14171	4.0
187.11116	3.7
187.14799	18.1
189.16385	22.6
191.14265	3.5
191.17883	4.8
193.15944	5.0
197.13141	3.9
199.14729	4.5
201.16350	7.7
203.14276	3.0
203.17978	31.2
205.12088	3.3
205.15956	2.4
205.19507	3.2
207.13741	3.8
207.17404	17.0
215.17841	5.7
217.15887	3.9
217.19518	8.6
219.13791	6.8
219.17447	5.0
221.18947	14.1
222.26888	2.3
223.13202	3.2
225.18474	6.7
227.17790	2.7
231.17389	5.7
233.15382	7.2
233.18985	4.4
235.16954	7.1
235.20448	4.3
246.49281	2.5
247.17006	3.1
249.18521	3.9
271.24301	3.3
289.25226	7.0
337.26648	2.8
409.34641	23.5
419.32715	3.4
427.35800	5.8
437.34174	22.7
455.35379	24.6
456.35223	4.0
457.32916	4.4
473.36520	14.1
475.34067	8.4
491.29840	20.9
491.36404	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	491.3723
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
55.05497	2.5
57.07051	1.1
58.76910	0.6
61.39907	0.6
65.03924	0.9
67.05482	1.8
69.07062	3.7
69.51254	1.2
69.51669	4.4
71.04977	5.7
79.05470	4.5
81.07046	5.3
81.75560	0.7
82.39599	0.8
83.08611	1.0
85.06554	0.8
91.05470	4.2
93.07027	7.5
95.08598	10.7
98.32325	0.7
99.08083	1.6
105.07014	8.8
107.08575	48.6
108.08863	1.1
109.06476	1.5
109.10136	10.5
119.08558	21.1
119.51867	0.6
121.06494	3.9
121.09307	1.0
121.10124	13.0
121.10915	1.3
123.08049	8.1
123.11699	4.7
127.11168	9.8
131.08505	2.2
133.10114	14.2
135.11670	13.7
137.09590	2.1
137.13213	3.3
145.10118	2.5
147.11681	6.9
149.13225	13.2
151.14830	1.0
153.09077	0.8
156.09271	0.8
157.10164	1.2
159.11667	11.0
161.13235	44.8
162.13582	0.9
163.11240	1.0
163.14737	3.5
165.12733	0.9
171.11673	2.2
173.13220	3.6
175.14795	8.6
177.12749	1.3
179.14284	100.0
180.14616	2.5
185.13203	1.0
187.14842	1.8
189.12738	1.7
189.16379	1.7
193.15833	8.7
199.15001	0.8
201.16434	1.1
203.17937	5.4
207.13625	0.9
217.19460	5.8
219.17390	1.4
221.18977	2.2
231.05965	0.7
233.18956	1.3
235.20517	9.1
236.20512	0.7
245.18968	3.1
249.18495	0.8
263.20044	12.8
275.20056	2.8
281.21158	1.1
395.33414	1.1
409.34683	1.2
437.33908	2.4
445.36639	4.7
454.04089	0.8
455.35153	4.8
473.36261	17.4
474.36459	1.1
491.35373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3724
Annotation	rubiarbonol F
Peak:m/z	Relative Intensity
51.28911	2.4
53.03956	3.3
55.05508	17.0
65.03929	4.0
67.05498	26.6
69.03399	5.1
69.07062	19.7
71.04989	35.8
79.05482	28.4
81.03407	4.6
81.07050	45.7
83.04977	5.7
83.08611	11.3
85.06529	4.3
90.52006	2.7
91.05470	26.0
93.07026	53.5
95.04945	18.4
95.08044	3.8
95.08594	49.4
97.06525	6.6
97.10165	5.6
98.21494	7.0
99.08060	9.3
104.84782	2.9
105.07017	43.7
107.08582	66.6
109.06538	13.4
109.10147	45.8
111.08032	6.1
117.07010	6.4
119.08564	62.3
121.06472	6.4
121.09300	5.3
121.10131	82.0
123.08054	25.3
123.11671	24.7
125.09611	11.0
127.11171	51.9
129.06906	3.3
131.08542	25.8
133.10115	45.3
135.08081	2.5
135.11668	68.9
137.09627	12.7
137.13255	5.7
139.11099	3.3
143.08542	7.1
144.09290	5.0
145.10085	27.4
147.11681	46.9
149.09566	4.2
149.13240	22.5
151.11200	4.3
153.12766	4.8
156.09361	3.6
157.10132	16.9
159.11674	100.0
161.09575	5.0
161.13254	31.5
163.11168	9.7
163.14821	8.8
165.12735	7.3
167.14198	2.6
169.10220	3.2
171.11655	15.9
173.09442	3.1
173.13242	36.4
175.11128	6.6
175.14807	40.9
177.12730	16.8
177.16299	6.7
179.14389	5.9
181.12207	26.1
183.11694	8.2
185.13228	15.8
187.14856	17.1
189.12738	3.1
189.16434	8.7
191.14270	4.9
193.15862	5.9
195.11772	3.6
197.13225	4.2
199.14804	7.8
201.16443	8.3
203.14314	6.0
203.17888	27.6
207.41260	2.8
213.16525	4.5
215.17921	4.1
217.15819	3.6
217.19510	5.5
219.17410	8.2
221.18924	6.2
225.16345	3.7
227.17931	17.5
229.19420	4.2
233.18892	6.3
235.16914	3.9
235.20497	3.2
245.18982	96.1
247.20461	3.6
261.18503	5.5
263.20035	80.6
264.20468	3.5
272.78629	2.9
281.21088	56.2
283.20639	5.3
297.22043	4.4
315.22995	4.9
333.24252	2.6
357.27982	3.8
369.27594	4.3
407.32800	2.8
409.34839	3.4
419.32898	13.5
420.99472	2.9
437.34146	44.4
443.35303	4.4
455.35242	78.1
459.27737	3.7
473.36469	54.7
491.29825	25.1
491.36859	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	491.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01858	8.0
55.05502	46.8
57.03428	4.6
57.07068	14.1
57.99874	1.4
59.04976	2.7
61.02908	1.7
65.03928	3.1
67.05495	41.6
69.03432	11.1
69.03740	1.7
69.07061	57.3
71.04979	5.5
71.08612	6.2
73.02917	1.8
79.05489	28.0
81.03404	12.7
81.07048	100.0
83.04958	6.1
83.08133	2.9
83.08606	44.8
85.02491	1.7
85.02900	21.2
85.06535	14.4
85.10193	2.6
87.04414	1.5
87.76411	1.5
91.05465	18.6
93.07037	27.6
95.04949	10.2
95.08596	93.3
97.02872	5.5
97.06522	4.9
97.10160	50.5
99.04436	3.3
99.08092	12.3
101.06042	1.9
103.05496	1.9
105.07025	19.0
107.04948	15.2
107.08580	41.9
109.02861	5.5
109.06528	7.8
109.10145	62.3
111.04476	2.5
111.08098	8.9
111.11700	23.4
112.22772	1.5
113.09664	2.7
115.05418	4.0
117.07006	6.5
119.08529	13.2
121.02807	4.4
121.06514	9.1
121.10140	14.3
123.04411	3.0
123.08071	7.5
123.11701	40.1
125.09606	26.6
125.13245	16.4
127.03890	3.7
127.07502	2.1
127.11205	2.7
128.06235	2.1
129.06982	4.6
130.84660	1.4
131.04855	2.3
131.08533	9.4
133.06427	4.1
133.10092	12.2
135.04367	2.8
135.08052	8.5
135.11658	11.5
137.05975	6.1
137.09584	4.5
137.13237	37.5
139.11160	3.8
139.14803	2.2
143.08609	3.4
143.10580	2.0
145.04916	5.0
145.06473	3.4
145.10054	7.7
147.04405	2.7
147.08031	4.2
147.11617	5.1
149.06006	2.5
149.09631	3.6
149.13237	22.7
151.07516	2.9
151.11150	1.9
151.14743	12.0
153.01730	1.7
153.09047	3.4
153.12756	3.0
155.14304	5.2
157.10104	4.0
159.08005	2.3
159.11690	5.1
161.05945	2.9
161.09630	4.5
161.13243	3.8
163.06020	4.9
163.07347	2.2
163.11180	3.9
163.14830	11.4
165.09117	18.7
165.12665	2.3
165.16373	8.8
166.09393	3.9
167.07047	11.1
167.14305	12.9
169.10052	1.9
169.15874	5.1
171.10162	1.7
171.11740	3.2
173.05939	2.2
173.13313	7.7
175.11125	3.3
175.14888	2.7
177.05345	1.6
177.09128	2.0
177.16385	4.4
179.17952	5.6
181.04994	3.9
183.11739	2.1
183.17322	1.8
185.13182	1.5
189.09096	4.8
189.11208	14.6
189.12776	3.4
191.06960	3.1
191.14293	5.8
191.17961	2.9
193.12239	7.0
193.19398	3.1
201.12743	2.5
203.10655	3.0
205.08548	2.6
205.12126	2.9
205.19368	2.7
209.07919	1.8
209.11681	2.0
219.13803	20.4
219.21048	2.3
227.12711	10.1
229.12328	1.7
239.36415	1.9
247.13237	6.0
263.12753	2.3
275.27304	10.5
281.13831	2.4
293.25116	1.5
293.28314	31.1
311.29370	4.3
353.20789	2.0
363.19348	2.4
371.22076	2.8
383.29120	1.9
389.23227	3.6
399.21347	3.4
409.30997	3.3
417.22733	2.6
445.25830	8.0
463.26968	6.2
473.25497	9.0
491.18735	4.6
491.25314	44.3
492.26566	2.9
512.42975	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3359
Annotation	Homaline
Peak:m/z	Relative Intensity
53.03941	0.3
55.01864	0.6
55.05501	2.1
57.03410	0.3
57.07066	0.3
59.04976	0.3
60.06356	0.2
60.56694	0.2
65.03923	0.3
67.05493	5.2
69.03409	0.7
69.07059	1.3
69.46883	2.0
71.04981	0.9
79.05055	0.2
79.05481	2.7
81.03401	0.8
81.06567	0.4
81.07042	5.7
83.04980	1.0
83.08594	1.0
85.02876	0.3
85.06512	0.7
91.05467	2.2
93.07024	3.0
95.04945	1.1
95.08585	3.3
97.06509	0.5
97.10160	1.4
98.21461	0.3
99.08066	0.3
101.94607	0.2
105.07008	1.3
107.04938	2.1
107.08573	2.0
109.06501	1.4
109.10139	6.9
111.08053	0.3
113.09574	0.3
117.07005	0.8
119.04848	0.2
119.08557	3.8
121.06477	1.5
121.10118	1.5
122.07265	1.4
123.08049	0.5
123.10805	0.3
123.11691	6.5
125.09607	1.2
129.06950	0.4
131.04877	0.2
131.08531	1.1
133.10092	0.9
135.08061	0.7
135.11667	0.3
137.05946	0.3
137.09593	11.7
138.09946	0.2
139.07486	0.2
143.08517	0.4
145.06464	0.5
145.10083	1.0
147.04385	0.3
147.07990	0.4
147.11652	0.6
149.09587	0.5
149.13246	0.8
155.08478	0.3
155.10657	0.6
157.10123	0.3
161.09529	0.4
163.11186	0.6
165.09087	100.0
166.09467	1.6
167.07082	0.4
167.10643	0.4
171.07968	0.2
171.11624	0.3
173.09593	0.3
173.11742	0.4
173.13237	0.3
175.11130	0.6
183.10117	0.7
185.13284	0.3
189.11252	0.4
189.12762	0.5
191.14297	0.5
201.11179	1.9
203.14249	0.3
205.12178	0.6
209.11636	0.2
209.19002	0.3
219.13838	0.7
227.12758	0.4
249.14853	0.3
276.17007	0.2
293.24796	0.6
321.24481	0.2
339.25330	1.9
349.21552	0.3
354.24960	0.2
367.22421	0.7
371.22369	0.2
375.64536	0.2
385.23654	1.3
445.26132	0.3
445.32837	0.4
459.27338	3.5
473.33063	0.3
491.30829	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01860	14.4
55.05505	56.3
57.03424	7.7
57.07048	2.9
59.04998	2.7
65.03941	4.5
67.05499	57.1
69.03415	10.1
69.07055	25.3
70.06616	2.1
71.04978	12.9
71.62455	2.7
79.05486	66.8
81.03414	22.2
81.07049	67.3
83.04969	13.1
83.08604	33.4
85.02897	6.1
85.06533	6.7
87.04440	2.5
91.05467	42.8
93.07037	57.9
95.04960	24.2
95.08595	35.5
97.02900	3.5
97.06511	8.4
97.10161	60.8
99.08104	3.5
103.05457	4.8
105.07021	28.5
107.04936	51.0
107.08586	43.6
109.02870	8.9
109.06504	31.3
109.10147	24.8
111.04436	2.6
111.08083	7.3
115.05428	2.2
117.07002	17.3
119.04899	3.1
119.08558	23.0
121.02833	1.8
121.06490	35.9
121.10130	32.7
123.04437	3.1
123.08060	8.2
123.11678	8.7
125.06034	2.7
125.09615	54.8
127.07546	2.4
127.11176	2.5
128.06221	2.8
129.06993	11.7
130.07826	2.5
131.04929	5.3
131.08565	26.1
133.06487	6.3
133.10115	18.5
135.04445	2.3
135.08032	18.4
135.11696	11.1
137.05978	6.5
137.09615	5.2
137.13229	3.2
139.07573	3.1
139.11176	5.1
141.06961	4.6
143.08569	11.0
143.10658	2.9
145.06435	13.9
145.10085	14.1
147.04407	6.2
147.08023	8.5
147.11671	8.2
149.06067	2.0
149.09599	8.9
149.13261	3.3
151.07542	4.6
151.11195	4.9
153.09090	6.7
153.12709	2.5
155.08539	5.0
157.06415	2.1
157.10112	7.2
159.08051	6.7
159.11705	7.7
161.06009	3.2
161.09604	7.7
161.13248	3.2
163.07486	2.2
163.11188	10.8
163.14832	2.5
165.09137	19.7
167.07031	4.1
167.08534	2.6
167.10660	5.9
169.10175	4.8
171.07994	4.7
171.10284	3.2
171.11717	5.6
173.09599	5.0
173.13232	11.4
175.07600	3.2
175.11189	6.0
177.09042	2.8
177.12790	2.3
179.08536	2.2
183.11673	4.1
185.09604	2.8
185.13286	4.3
187.11183	3.5
187.14836	4.0
189.09137	5.9
189.11215	34.4
189.12675	3.1
189.16417	2.2
191.10674	4.5
191.14302	12.0
193.12206	9.8
195.11696	2.9
197.13226	3.6
199.11357	2.8
199.13274	5.3
201.09142	2.0
201.12733	2.8
203.10612	2.9
205.12149	3.4
207.11690	2.3
209.11685	3.8
219.11635	1.7
219.13759	47.9
223.13109	3.0
225.11301	2.6
227.12682	14.9
233.15314	4.3
237.12805	2.1
249.14853	5.8
255.13898	2.0
257.15207	2.9
263.12781	7.1
267.15817	2.1
271.16876	3.2
273.14804	4.6
275.16428	7.6
287.16397	2.8
289.18008	2.0
329.25034	2.9
339.23102	4.0
349.21552	10.6
353.20782	3.2
357.24207	4.2
367.22629	26.3
371.22162	5.7
381.20547	4.8
385.23700	29.1
389.23102	9.1
399.21289	2.9
403.24762	11.2
407.24329	2.7
417.22156	3.7
423.25244	2.4
426.69589	2.0
441.26175	5.3
445.25708	16.4
455.31223	2.6
459.27371	100.0
463.26648	13.5
473.24701	10.4
491.26196	55.8
491.30273	41.8
492.26569	4.7
505.85638	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2994
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03944	8.3
55.01857	5.3
55.05261	3.2
55.05504	35.0
57.03431	13.3
59.04979	2.3
60.19586	1.6
65.03928	2.8
67.05495	62.0
69.03410	4.7
69.07053	14.8
71.04981	8.5
71.62296	2.3
71.62691	2.6
79.05482	82.7
81.03407	54.3
81.07047	71.8
81.29061	2.0
83.04977	22.3
83.08614	26.3
85.02891	12.5
85.06522	7.5
91.05471	100.0
93.07029	68.9
93.07616	4.0
95.04955	41.3
95.08036	3.2
95.08593	37.8
97.02887	3.8
97.06520	6.9
97.10159	12.1
99.08092	2.7
101.05997	1.6
103.05468	1.7
105.04534	1.7
105.07018	55.9
107.04938	12.9
107.08583	28.5
109.06511	10.6
109.10149	15.1
111.04401	2.5
111.08100	8.4
115.05450	2.2
117.07005	23.1
119.04877	2.0
119.08564	44.1
121.06481	4.8
121.10123	19.1
123.08047	8.0
123.11682	16.2
125.09651	8.2
127.11171	3.8
128.06194	4.1
129.06979	24.9
131.04810	2.1
131.08540	16.7
133.06462	3.9
133.10117	25.2
134.88359	1.8
135.07999	3.5
135.11661	6.7
136.04816	1.5
137.05956	2.3
137.09633	3.2
141.06998	4.2
141.09032	2.3
142.07770	2.2
143.08543	12.5
145.06496	3.8
145.10112	20.6
147.08025	6.1
147.11664	47.2
148.11998	2.1
149.09612	6.1
149.13232	3.3
151.11153	2.6
155.08540	4.2
157.10132	13.3
159.11664	5.7
161.09586	6.3
161.13248	11.7
163.11137	4.3
165.09105	3.5
169.10057	4.1
169.12207	1.9
171.11658	27.8
173.09604	2.1
173.13249	3.7
175.11110	11.6
175.14726	2.0
179.14291	2.0
181.10156	1.9
185.13257	5.0
187.13277	5.2
187.14809	2.6
189.11185	4.6
189.12727	11.4
189.16422	4.3
193.12213	31.2
195.11671	2.6
197.13173	2.4
207.13776	31.9
211.13257	23.6
217.19312	2.2
225.14842	4.6
227.12772	6.1
231.13846	3.9
243.15929	5.2
247.17023	2.5
249.14763	9.3
254.55356	1.9
267.15884	35.2
277.17905	2.9
281.17429	43.4
305.17514	7.2
363.23038	4.4
381.24240	6.4
399.25180	7.0
417.26089	1.9
437.34125	2.7
445.35794	3.0
455.27509	3.8
455.35007	4.8
473.28830	71.7
473.34543	2.6
491.29938	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	491.2995
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
52.40844	1.9
53.03941	10.3
55.01860	6.2
55.05502	33.5
57.03432	14.3
59.04980	2.7
65.03932	5.2
67.05495	78.1
69.03419	4.3
69.07052	13.6
69.93626	4.7
69.94027	9.1
71.04977	8.0
71.05319	1.7
79.05481	88.5
81.02917	2.0
81.03054	1.5
81.03403	74.4
81.07045	78.8
83.04970	18.8
83.08604	27.6
85.02897	14.3
85.06542	5.2
91.05467	100.0
93.07027	73.3
95.04956	45.5
95.08594	36.6
97.02911	2.6
97.06531	7.5
97.10140	12.7
105.04545	2.2
105.07014	62.8
107.04928	13.6
107.08575	27.9
109.06493	9.9
109.10149	11.9
111.08077	13.1
115.05447	4.9
117.06995	18.2
119.04919	2.2
119.08567	44.3
120.65326	2.1
121.06508	7.7
121.10117	14.3
123.08060	9.3
123.11674	12.2
125.09637	5.1
127.07550	2.5
128.06229	3.1
129.06990	24.9
131.08525	17.5
133.06514	5.7
133.10118	18.5
135.11676	3.7
137.09526	1.8
141.06993	2.2
142.07790	3.9
143.08548	12.2
145.06546	2.4
145.10092	15.9
147.08095	5.8
147.11671	46.1
147.12766	3.2
149.09613	7.0
151.11206	2.3
155.08507	3.3
157.10135	12.5
159.11703	4.5
161.09622	4.6
161.13210	13.9
163.11215	3.2
165.12761	4.3
169.10150	2.9
170.22755	2.8
171.11642	27.6
171.12923	2.3
175.11148	10.2
181.10066	2.0
185.13306	2.6
187.13312	6.6
189.11183	4.1
189.12778	11.9
193.12204	36.5
195.79039	1.9
199.14900	2.3
207.13794	36.9
211.13228	29.2
211.14897	2.5
225.14883	4.5
227.12816	6.9
229.15923	2.1
231.13795	4.1
243.15971	5.8
244.29265	2.2
249.14713	10.6
267.15878	44.4
267.18500	3.4
281.17447	31.6
305.17563	5.0
353.24991	3.0
363.23187	3.1
381.24420	4.4
399.25299	6.9
455.28085	4.0
473.28934	93.3
491.30121	72.5
491.37314	3.9
492.30518	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2998
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03936	12.1
55.01858	7.7
55.05502	40.8
57.03431	13.6
59.04986	4.3
62.60639	1.8
65.03930	5.3
67.05493	70.2
68.05853	2.2
69.03432	4.6
69.07063	18.1
69.42814	20.4
69.75967	1.7
70.68069	1.8
71.04975	8.2
79.05482	78.9
81.03406	72.2
81.07049	73.8
82.07370	2.2
83.04965	22.0
83.08604	29.9
83.19825	1.8
85.02897	12.3
85.06523	6.1
91.05468	100.0
92.05808	2.1
93.07030	67.7
95.04961	40.0
95.08591	39.9
97.02872	5.7
97.06528	9.7
97.10153	14.6
98.20795	4.5
99.04454	2.2
99.08101	4.7
102.96532	1.7
103.05444	2.7
105.04530	2.8
105.07011	62.2
107.04932	18.4
107.08576	31.6
109.02850	3.0
109.06482	11.7
109.10136	18.3
111.04386	3.2
111.08086	8.7
113.06014	3.3
115.05434	6.1
116.06205	1.9
117.07005	20.9
118.07256	1.9
119.04905	2.7
119.08564	45.7
119.09862	1.9
121.06534	10.6
121.10117	20.4
123.08035	13.7
123.11697	12.5
125.09613	12.2
127.07500	2.8
128.06207	2.8
129.06992	28.0
131.08554	20.8
133.06464	4.1
133.10110	24.5
135.08058	6.4
135.11665	9.7
137.09592	4.1
139.07521	2.0
139.58931	2.2
141.06998	2.6
143.08534	13.9
145.06483	4.7
145.10110	27.9
147.08057	6.6
147.11667	37.1
149.09615	6.4
149.13315	2.6
151.11125	3.5
153.12776	3.0
155.08490	2.9
157.10094	11.0
159.11670	5.9
161.09589	3.7
161.13229	10.7
163.11183	15.2
165.09071	4.7
165.12709	3.8
169.10117	2.2
171.08102	4.0
171.11664	23.8
173.09581	4.1
175.11151	9.8
181.12132	2.2
183.11671	3.6
185.13211	5.6
187.13284	7.7
189.11203	4.1
189.12741	7.7
191.10567	3.8
193.12198	30.0
197.13229	2.3
203.14507	2.1
204.14697	2.4
207.13786	25.3
209.11729	8.1
211.13205	23.7
211.14990	2.4
227.12744	11.6
229.15897	3.1
231.13794	4.1
243.15843	5.5
247.16899	2.3
249.14816	8.3
267.15848	32.0
277.18039	4.4
281.14246	3.6
281.17398	27.4
305.17331	6.4
353.24655	2.8
363.23221	4.7
381.24191	3.6
399.25214	6.4
417.26279	3.4
442.00421	2.2
445.28912	2.2
455.27927	2.9
473.28903	93.2
491.29846	38.5
492.29993	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97541	1.2
53.03918	3.3
55.01868	10.5
55.05503	51.9
57.03436	7.7
57.07056	8.3
58.76320	1.3
59.04972	3.1
61.02897	1.3
62.78629	1.2
65.03914	3.4
67.05493	47.1
69.03423	11.7
69.07057	45.4
69.47524	1.3
69.93260	7.9
71.04967	6.7
71.08613	1.6
71.72761	1.3
79.05476	34.4
81.03416	18.2
81.07046	79.9
83.04973	7.6
83.08607	47.4
85.02883	20.2
85.06536	8.8
91.04969	1.8
91.05467	21.5
93.06486	1.9
93.07030	31.4
95.04962	16.7
95.08595	66.0
97.02877	7.6
97.06517	6.4
97.10155	63.6
99.00763	1.8
99.04431	1.5
99.08070	7.4
101.05931	1.9
103.05428	2.9
105.06379	1.9
105.07014	22.3
106.07368	1.9
106.11725	1.4
107.04301	1.5
107.04950	24.4
107.07874	1.8
107.08574	39.1
109.02873	7.8
109.06509	14.4
109.10136	47.7
110.10425	1.6
111.04412	3.7
111.08062	11.7
111.11702	10.7
113.09600	1.8
115.05389	2.9
115.90662	1.2
117.07008	11.4
119.04896	2.9
119.08556	17.1
121.02861	8.4
121.06495	19.5
121.10129	17.7
123.04336	4.8
123.08051	6.5
123.11695	25.3
125.05909	2.2
125.09615	43.9
125.13222	8.3
125.16530	1.4
127.03850	5.0
127.11156	1.9
128.06261	1.7
129.06917	5.5
130.43291	1.4
131.04842	2.7
131.08537	14.1
133.06490	7.7
133.10100	13.1
135.04353	4.3
135.08044	11.2
135.11647	9.2
137.05988	7.7
137.09633	6.3
137.13219	14.2
138.88760	1.3
139.14659	1.9
141.06937	2.3
141.08913	1.4
143.08499	5.4
143.10637	2.0
145.04887	3.8
145.06465	9.1
145.10094	9.5
147.04343	4.1
147.07957	5.9
147.11662	8.9
149.05890	2.6
149.09511	6.0
149.13228	7.5
151.03806	3.9
151.07448	4.8
151.11078	4.3
151.14772	5.2
153.05461	1.9
153.09036	5.6
153.12682	2.5
155.08485	3.0
155.14204	2.5
157.10049	6.1
159.07994	4.0
159.11612	5.3
161.05872	3.2
161.09546	6.1
161.13139	4.6
163.05936	3.7
163.07454	3.8
163.11101	6.0
163.14749	4.9
165.06921	1.5
165.09076	25.4
165.12697	3.0
165.16374	7.2
167.05643	1.5
167.07024	23.4
168.07263	1.8
169.10049	2.5
169.15790	5.2
171.07954	4.3
171.10182	2.2
171.11639	3.6
173.05899	5.3
173.09526	3.2
173.13095	6.3
175.07507	3.0
175.11061	4.8
175.14745	1.8
177.09015	1.7
177.16316	4.6
179.06947	1.8
179.10590	3.1
179.17906	3.6
181.04855	5.1
183.11620	2.0
185.09546	2.4
185.13264	1.7
187.07562	2.4
187.11075	2.7
187.14742	3.0
189.09079	4.8
189.11104	28.5
189.12697	4.2
191.06979	2.4
191.10553	4.4
191.14227	5.7
191.17763	2.3
193.12224	13.0
193.19434	2.3
199.11177	2.5
199.13083	1.4
201.12814	2.8
203.10542	4.3
203.14128	1.7
205.12218	2.8
205.19499	2.9
207.10004	2.0
207.13684	3.1
209.11536	2.7
217.12154	3.4
219.13765	42.4
219.20972	1.8
225.11078	3.2
227.10539	1.9
227.12726	24.1
229.12074	1.6
229.19252	1.5
233.08034	1.5
235.13116	1.8
237.14717	2.2
247.13275	9.0
249.14728	1.9
255.13661	1.5
263.12634	7.3
265.14178	1.7
267.15790	1.4
275.27161	5.7
281.13736	3.7
293.28400	12.4
319.15222	1.6
353.20944	2.4
367.22513	2.7
369.18915	3.1
371.21866	6.0
373.23520	3.4
381.20282	4.9
385.23529	2.5
389.23245	7.7
391.40341	1.7
399.21695	8.5
407.24161	2.6
417.22488	5.9
419.31641	2.0
439.77872	1.5
445.20688	1.6
445.25751	19.1
447.26721	2.5
459.00455	1.4
459.27478	13.3
461.17526	2.0
463.26822	14.1
473.25256	21.5
491.18402	9.8
491.25955	100.0
492.19360	2.3
492.26480	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	491.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39538	1.4
53.03926	3.7
54.49392	1.5
55.01860	13.1
55.05502	75.5
55.47390	1.6
57.03419	7.9
59.04980	3.9
65.03915	3.2
67.05495	59.3
69.03406	11.2
69.07059	20.4
70.83129	3.4
70.83487	3.5
71.04983	11.6
71.47472	1.5
79.05479	54.3
81.03403	19.3
81.06570	3.6
81.07043	63.9
83.04962	12.9
83.08141	2.2
83.08611	42.2
85.02893	5.9
85.06510	7.1
91.05468	32.7
93.06463	2.9
93.07030	44.3
95.04948	25.2
95.08588	28.9
97.02869	3.8
97.06519	7.7
97.10155	92.8
99.00822	2.0
99.04427	2.2
103.05446	2.8
105.07016	29.0
107.04936	45.8
107.08578	51.2
109.02846	7.5
109.06499	21.2
109.10133	16.4
111.04404	4.6
111.08069	6.2
115.05410	3.6
117.07005	15.5
119.04900	3.5
119.08560	19.3
121.02837	5.0
121.05640	2.6
121.06490	35.2
121.10115	17.2
123.04407	4.5
123.08049	8.9
123.11658	7.9
125.05981	3.7
125.09610	76.5
128.06235	2.4
129.07018	9.3
131.04919	3.6
131.08548	20.8
133.06464	5.5
133.10097	12.7
135.04381	2.7
135.08020	15.7
135.11639	7.6
137.05917	2.8
137.09599	3.9
139.11183	2.3
141.06973	3.5
143.08574	8.4
143.10640	4.7
145.06490	9.5
145.10104	10.7
147.04378	4.6
147.08005	7.6
147.11649	7.2
149.05992	2.3
149.09572	6.2
149.13228	2.6
150.03004	1.6
151.03839	2.8
151.07529	4.8
153.05496	2.5
153.06824	1.6
153.09117	8.3
153.12769	2.6
155.08530	6.3
157.06454	1.8
157.10129	5.6
159.08058	5.2
159.11649	6.9
161.05899	4.7
161.09598	9.3
161.13231	2.5
163.11121	8.8
163.14766	2.3
165.09056	16.1
167.07014	4.4
167.08467	2.4
167.10571	2.0
171.07956	3.0
171.10268	2.7
171.11630	4.1
173.09634	4.1
173.13235	13.1
175.11139	4.4
179.10606	2.2
181.09962	1.7
183.11635	3.1
185.09537	3.3
185.13309	2.1
187.14699	2.7
189.09335	3.0
189.11191	50.4
189.12794	2.2
191.10600	2.4
191.14302	10.7
193.10323	2.6
193.12210	8.7
195.11676	2.3
199.11273	4.1
199.13229	3.7
201.12706	6.0
203.14259	1.7
209.11632	3.7
211.11182	1.8
211.13072	2.2
213.12701	2.6
215.14209	2.5
217.12186	2.8
219.13766	73.7
220.14182	1.7
225.11040	3.6
227.12698	22.1
227.14571	2.1
231.13799	2.4
237.12741	1.9
237.14777	2.0
247.16951	2.3
249.14745	4.0
255.13774	2.5
257.15326	1.7
263.12729	10.5
271.16995	2.2
273.14807	3.9
275.16449	7.8
287.05420	5.3
293.28430	2.2
314.52612	1.7
339.23145	3.0
349.21521	3.0
353.20953	3.9
367.22522	15.8
371.21982	7.8
381.20444	5.8
385.23669	18.5
389.23056	11.1
399.21573	8.6
403.24661	5.1
407.24133	5.2
417.22314	4.0
441.26288	2.8
445.25751	25.2
447.27380	3.0
459.27356	54.0
463.26770	17.7
466.73532	1.9
473.24911	19.0
482.42252	2.0
491.25491	100.0
492.26654	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	491.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01627	1.3
55.01862	16.5
55.05503	32.3
57.03419	6.6
57.07058	1.8
59.04965	4.4
65.03896	3.5
65.08816	0.9
66.41984	0.9
67.05495	32.3
67.05836	1.1
69.03388	2.8
69.07059	12.5
71.01327	1.8
71.04990	10.0
79.05481	44.7
81.03410	23.2
81.07047	45.8
83.01332	13.3
83.04976	26.5
83.08608	21.2
85.02891	6.4
85.06485	4.9
91.05468	36.6
93.07033	56.4
94.07318	1.2
95.04955	19.2
95.08598	24.0
97.02823	5.2
97.06525	11.3
97.10152	6.6
99.04399	4.0
99.08071	5.6
103.05417	1.8
104.07069	1.2
105.07018	30.1
105.08076	1.2
107.04284	1.7
107.04939	19.7
107.08584	34.9
109.02824	1.4
109.06509	18.1
109.10145	10.7
111.04462	5.7
111.07996	3.9
113.05981	1.4
113.09543	1.5
113.15805	1.0
115.05413	2.0
117.07009	21.0
119.08569	26.4
121.06477	12.2
121.10134	20.0
123.04319	2.1
123.08054	15.4
123.11675	2.5
125.05912	3.5
125.09609	6.7
127.07519	2.7
127.11094	1.3
128.65324	1.2
129.07001	6.0
130.07729	4.4
131.04875	2.0
131.08556	13.7
133.06450	1.9
133.10112	12.4
135.08040	5.8
135.11676	26.3
137.05948	2.1
137.09518	4.9
137.13206	1.6
139.07515	1.9
139.11108	1.1
143.08482	4.0
145.06396	2.4
145.10114	33.3
147.08032	6.7
147.11700	7.7
149.05928	1.7
149.09535	5.1
149.13173	2.5
151.07466	1.3
151.11124	1.5
153.09004	1.7
153.12726	10.2
155.08453	3.1
157.10020	3.6
159.11574	4.3
161.09514	3.3
161.13203	2.2
163.11157	59.9
165.09038	2.8
167.06940	1.6
167.10622	1.4
171.11606	3.8
173.09612	10.2
173.13168	4.3
175.11104	2.2
175.14714	2.5
177.12724	2.3
181.12198	9.1
185.13126	3.2
187.14647	3.3
189.11011	1.7
189.12633	1.9
191.10669	8.5
191.14139	2.5
193.12299	2.3
195.11560	1.7
197.13167	1.7
199.13062	1.5
199.14796	1.8
201.16298	1.6
205.11951	1.6
205.15781	1.6
205.19415	1.4
207.13704	3.1
209.11687	21.4
215.14226	1.5
219.13770	2.4
227.10822	1.3
227.12727	16.7
229.93375	1.2
247.13243	1.3
249.14597	1.5
265.14194	1.5
267.15625	2.5
273.14587	1.9
283.15164	2.3
288.04758	1.4
323.09271	1.2
357.23941	1.5
367.22379	3.1
385.23322	3.4
403.24667	5.8
409.30692	4.4
455.31485	2.3
459.27231	10.5
491.25934	100.0
492.26300	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1902
Annotation	5-Hydroxy-7,4'-dimethoxy-6,8-di-C-prenylflavanone 5-O-galactoside
Peak:m/z	Relative Intensity
53.03924	3.7
53.89102	0.9
55.01856	2.9
55.05503	4.6
57.03418	3.9
57.07059	1.5
59.04995	0.9
60.30918	1.0
61.02906	2.7
65.03911	1.4
67.05494	8.2
69.03416	14.2
69.07066	5.4
69.44299	8.6
71.04983	5.5
73.02902	2.2
73.06557	0.9
77.03886	0.9
79.05475	10.2
81.03403	12.8
81.06635	1.4
81.07043	14.9
83.01295	1.2
83.04972	2.4
83.08594	3.8
85.02886	17.1
85.06516	3.7
91.05466	8.8
93.07030	12.6
94.04099	1.3
95.04949	7.5
95.08582	11.8
97.02869	10.0
97.06500	5.2
97.10160	2.4
99.04440	7.5
99.08082	1.7
103.03843	1.0
103.05401	1.7
105.07006	9.4
107.04939	6.2
107.08579	10.5
109.02858	2.3
109.06512	5.4
109.10144	12.1
111.04426	2.2
111.08041	2.7
115.05464	2.2
117.06983	4.4
119.04952	1.2
119.08553	8.9
121.02814	2.9
121.06475	7.5
121.10120	7.9
122.03625	1.2
123.04413	2.6
123.08028	2.5
123.11686	4.8
125.05977	1.5
125.09599	4.4
127.03915	6.1
127.07508	1.3
128.06212	1.3
129.06960	2.1
131.04871	1.4
131.08528	3.2
133.06461	3.1
133.10107	5.5
135.04370	1.6
135.08049	2.0
135.11641	3.8
136.05257	0.9
137.05937	9.4
137.09587	8.6
137.13174	1.3
139.07491	2.2
139.11168	1.1
143.08507	1.9
145.04933	2.7
145.06459	6.3
145.10109	3.5
147.04369	1.9
147.07997	1.8
147.11632	4.0
149.05943	1.7
149.09576	2.9
149.13231	2.0
151.03934	1.0
151.07518	8.3
151.11075	2.3
153.09076	0.9
155.05890	1.0
155.06992	1.6
156.10135	2.8
157.06429	1.1
157.10178	4.0
159.08015	1.6
159.11624	2.2
161.05957	3.2
161.09544	2.7
161.13239	1.6
163.07487	2.4
163.11133	2.8
165.05452	29.1
165.09087	65.0
165.12703	2.6
167.03293	1.1
167.07028	26.4
167.08417	1.2
167.14166	1.1
169.06375	1.4
169.10153	1.3
171.08058	1.2
171.11649	2.0
173.05966	5.0
173.09676	1.5
173.13260	1.7
175.07489	3.1
175.11186	3.0
175.14713	1.6
177.09074	1.4
181.04941	7.2
181.06349	2.1
181.12177	1.5
187.11179	1.1
189.09039	3.1
189.12665	2.8
191.06993	4.2
191.10612	2.2
191.14247	1.2
193.08510	1.3
193.12181	2.6
195.08034	2.0
195.92317	1.0
196.08350	1.2
197.05779	1.2
199.07443	3.6
199.11275	1.4
201.12791	1.1
203.14261	1.1
205.06682	1.4
205.08562	1.6
205.12196	2.6
207.08031	1.7
207.13721	2.4
211.07523	2.0
213.09081	1.9
214.09399	1.5
217.12187	4.2
219.08049	1.5
219.10040	1.4
220.08792	1.2
221.09671	1.5
222.06627	1.1
223.07512	2.5
224.08202	1.5
225.09073	3.7
227.06982	1.2
227.12743	3.3
235.07455	2.0
235.13278	3.6
236.08272	2.2
237.09070	5.6
239.06944	6.2
241.08437	1.6
242.09105	1.2
247.13379	1.7
249.09082	1.2
250.09943	1.1
251.07095	1.9
251.10637	3.2
252.11444	6.0
253.08478	2.1
253.14299	3.0
254.05717	1.3
254.09271	1.9
255.06311	2.2
255.10143	1.9
263.07037	1.7
265.08487	1.9
265.12225	1.2
267.06375	2.6
267.10092	1.6
268.07169	2.4
268.10934	2.0
269.07828	1.8
270.08813	9.5
279.13605	1.2
281.07904	1.1
281.11530	1.3
283.09589	44.1
283.13196	28.4
284.10266	6.7
285.10760	10.5
291.09906	1.1
294.08810	1.4
295.09622	3.8
296.10352	1.6
297.11185	4.3
301.14203	3.1
304.10904	1.4
307.09586	4.2
307.12967	1.7
309.11133	2.3
311.09076	1.8
311.12708	22.5
314.11301	1.2
321.11066	2.4
323.12558	1.6
325.10757	1.5
325.14203	4.9
328.12860	3.9
329.13715	100.0
330.13977	1.5
335.12775	2.4
339.12177	1.6
349.10681	1.7
349.14545	1.6
353.13794	9.4
365.13791	5.9
367.15341	1.8
371.14740	4.3
379.17413	1.4
389.13806	1.5
395.14810	6.0
419.14725	1.7
437.15680	2.6
455.16803	2.6
459.27106	1.3
461.17886	2.0
473.25394	1.8
473.32529	2.6
491.18884	16.7
491.27637	13.9
492.19907	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1177
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
53.03939	1.6
55.01848	0.8
55.05486	0.4
57.03424	1.1
61.02903	0.6
67.05496	0.3
68.99799	0.5
69.03418	7.1
69.07049	0.4
69.74652	1.2
71.01344	0.2
71.04987	1.2
73.02888	0.7
75.20989	0.2
79.05453	0.5
81.03402	8.2
81.07028	1.0
83.01314	0.3
85.02887	5.9
85.06496	0.3
87.04478	0.4
91.05457	0.7
93.07014	0.5
95.04937	0.5
95.08595	0.5
96.82452	0.2
97.02877	5.8
97.06498	0.3
98.20918	0.4
99.04450	1.9
103.03988	0.3
105.07018	0.7
107.04939	0.6
107.08563	0.7
109.02860	6.0
109.10132	0.4
111.00771	0.5
115.05380	0.3
117.07015	0.3
119.08537	0.5
121.02832	2.0
121.06479	0.4
121.10136	0.6
123.08028	0.2
123.11727	0.4
124.07562	0.9
127.03898	6.3
131.04871	0.3
133.02808	0.5
135.04320	0.2
135.08012	0.2
135.11687	0.3
137.02322	0.8
137.05972	1.1
137.09583	0.3
145.04927	1.2
145.06467	0.4
145.08574	0.6
145.10039	0.2
147.04375	0.8
147.11571	0.3
151.03922	0.3
151.07549	0.7
153.01797	3.4
153.05540	0.3
157.06427	0.3
157.10423	0.3
161.05997	0.5
163.07455	0.2
165.01801	1.9
165.09094	1.0
167.07028	2.1
173.05914	0.4
175.07657	0.3
177.05521	0.2
179.06947	0.3
181.04933	0.6
183.02859	0.6
185.05894	0.5
187.05998	6.5
187.07654	0.4
191.00888	0.2
191.07021	0.3
197.05922	0.2
205.07076	0.7
207.06464	0.2
213.05400	1.1
229.14232	0.3
231.06425	0.5
241.04892	0.8
258.05228	1.4
259.05908	0.4
287.05444	100.0
288.05777	3.8
329.14569	0.3
338.11984	0.3
461.17633	0.2
491.19208	2.0
501.29437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1179
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03941	2.1
55.01859	1.0
55.05497	1.5
57.03425	1.5
59.04978	0.5
60.88501	0.3
61.02916	2.9
67.05488	1.5
68.99785	0.7
69.03421	22.7
69.07056	1.4
69.66595	2.6
71.01353	0.6
71.04990	3.3
73.02917	0.6
79.05483	1.5
81.03408	9.6
81.07056	2.7
83.01324	1.6
83.04979	0.8
85.02895	21.9
85.06515	0.6
86.09710	0.3
87.04463	0.7
89.06026	0.8
90.13306	0.3
91.05445	2.0
93.07043	2.7
95.04945	1.1
95.08588	2.5
96.08957	0.4
97.02880	24.5
97.06509	0.8
97.10156	0.4
98.20809	0.5
99.04443	7.6
99.08097	0.4
103.03913	0.4
103.05434	0.7
105.07030	1.4
107.04940	1.0
107.08575	2.1
109.02866	47.2
109.06487	0.9
109.10165	2.3
110.03203	0.6
111.00811	0.8
111.08096	0.3
115.03923	1.0
117.06982	0.6
119.04939	0.5
119.08566	1.0
121.02877	2.6
121.06505	0.8
121.10148	1.7
123.04437	0.5
123.08085	0.6
123.11697	1.1
125.05935	0.4
125.09706	0.4
127.03902	28.4
129.05487	0.4
129.06921	0.4
131.04926	0.8
131.08554	0.8
133.02844	0.5
133.10132	0.8
135.08066	1.0
135.11671	1.0
137.02342	1.4
137.05960	4.5
137.09656	0.7
139.03876	2.5
145.04948	11.2
145.06447	0.8
145.10117	0.8
147.04361	1.3
147.11638	0.8
149.13234	0.5
149.48885	0.4
151.03876	0.8
151.07469	1.6
152.61084	0.3
153.01807	3.0
153.12695	0.4
157.06465	0.7
157.10153	0.4
159.11667	0.5
161.05956	1.2
161.09628	0.5
161.13205	0.6
163.07556	0.8
163.11191	0.5
163.14821	0.5
165.01831	1.9
165.09070	2.8
165.12767	0.5
167.07019	3.1
169.04971	5.0
173.05850	0.3
173.13214	0.4
175.07501	0.8
175.11127	0.8
177.05518	0.4
177.09116	0.6
177.12665	0.7
177.16391	0.5
181.04938	1.2
183.02908	0.7
185.06001	0.4
187.06010	6.0
187.11119	0.3
189.09061	0.7
191.06964	0.5
191.14238	0.7
193.08650	0.5
195.17496	0.4
205.07036	7.9
205.12206	0.4
205.72859	0.3
213.05458	1.4
213.18521	0.4
231.06516	0.5
235.07625	0.4
241.04994	0.8
258.05173	0.9
259.06058	0.5
287.05460	100.0
288.05811	2.9
295.09665	0.6
309.11237	0.7
311.05637	0.4
417.11569	0.5
462.85278	0.4
473.19275	0.5
488.19928	0.3
491.18433	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41864	0.8
55.05492	3.2
57.07062	2.2
65.03940	0.8
67.05495	7.7
69.03406	2.7
69.07062	5.4
69.35818	8.5
71.04982	8.5
71.08614	1.6
73.02927	1.0
79.05483	4.2
81.07043	11.7
82.07346	1.2
83.04955	1.1
83.08602	3.7
85.02863	1.8
85.06522	1.6
85.10170	1.2
91.05456	6.7
93.07037	8.9
95.04969	1.5
95.08595	17.6
96.08932	1.6
97.06512	2.4
97.10186	1.5
99.08107	1.2
105.06368	1.5
105.07018	18.6
107.04924	1.6
107.08575	15.6
108.08951	0.9
109.06501	2.0
109.10130	11.7
111.08039	2.0
117.07003	2.5
119.08566	41.0
120.08897	2.4
121.06516	0.9
121.10126	12.1
121.10935	1.6
122.10445	1.0
123.08056	4.7
123.11680	3.0
125.05862	1.1
125.09619	5.5
127.07555	0.9
127.11164	7.1
131.08556	4.3
133.10114	16.7
135.08012	3.1
135.11668	6.9
137.09610	5.2
137.13242	1.1
139.11121	0.9
140.51906	0.7
143.08516	2.6
145.10106	34.4
146.10474	1.8
147.08038	6.7
147.10501	1.2
147.11659	16.5
148.11967	1.5
149.05957	1.8
149.09552	1.7
149.13219	3.4
151.11108	1.7
153.09067	4.2
155.08563	1.0
155.10655	1.9
157.10066	2.5
159.07890	0.9
159.11688	5.9
161.09583	4.5
161.13206	6.8
163.07500	1.8
163.11131	5.3
163.14799	2.5
165.09100	10.7
165.12689	1.1
171.11662	2.8
173.09624	2.1
173.11903	0.9
173.13226	5.1
174.13934	1.2
175.11122	2.0
175.14787	3.1
177.09111	1.2
177.12695	1.8
183.13818	1.5
185.13281	1.3
187.14801	9.3
188.15224	0.8
189.16351	71.4
190.16679	2.1
191.10620	2.8
191.14301	1.3
195.11667	0.9
195.13785	2.5
197.13272	1.3
199.14807	1.7
201.16393	2.2
203.14360	1.1
203.18031	3.9
205.15822	5.5
205.19411	1.1
207.17422	7.9
211.14745	1.6
213.04861	0.8
213.16364	2.9
215.14268	6.7
215.17876	0.8
217.15811	1.2
231.17278	4.2
233.15334	22.6
243.21071	1.5
247.16887	1.1
249.18494	4.9
251.16373	15.9
313.27341	1.4
314.27673	2.0
318.82016	1.1
367.29636	1.0
369.27847	21.1
387.28732	1.8
419.32755	1.2
437.34113	8.8
454.33447	1.2
455.35150	100.0
456.35263	4.9
472.34906	2.5
473.36224	49.7
474.36441	3.5
490.36270	7.4
491.29761	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	489.3567
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03930	5.9
55.01854	3.1
55.05499	14.3
57.07055	2.5
67.05488	24.1
67.17140	2.7
69.07054	19.3
69.51506	19.4
71.04990	7.7
79.05479	35.1
81.03403	7.0
81.07045	49.3
83.04971	11.1
83.08604	12.5
85.06522	2.9
90.09282	3.3
91.05464	31.0
93.07029	52.6
95.04954	12.0
95.08591	66.7
95.09159	2.4
97.06483	4.6
97.10126	4.8
98.05003	2.9
105.07014	52.1
107.04904	6.4
107.08566	62.0
108.56340	2.6
109.06477	4.2
109.10137	39.1
111.08056	8.1
117.06995	10.8
118.85590	2.5
119.08551	58.7
121.06484	8.2
121.10141	34.0
123.08036	9.0
123.11682	20.8
125.06046	2.7
125.09635	10.6
127.11153	7.0
129.07008	5.0
131.08548	28.9
133.10115	42.4
133.58017	3.0
135.11671	29.9
137.09668	6.6
141.06857	3.0
143.08546	9.9
145.10088	49.9
147.11676	35.7
149.09587	8.7
149.13225	18.4
156.09180	3.7
157.10089	10.3
159.11656	30.6
161.09570	7.8
161.13161	19.0
163.11165	24.0
163.14795	11.0
165.09097	4.8
165.12758	5.2
171.11615	15.4
173.13191	31.1
175.11179	6.1
175.14789	24.2
177.12726	8.1
177.16348	26.1
181.12236	4.8
185.13219	8.8
187.14801	46.5
189.12782	7.4
189.16368	27.2
191.00903	3.2
191.14278	10.4
191.18071	6.1
197.13313	4.0
199.14832	6.6
201.12691	3.6
201.16324	17.8
203.14378	13.6
203.17924	55.8
205.15836	100.0
205.19327	4.3
206.16156	5.2
207.13756	6.3
207.17378	6.1
209.15314	3.6
211.14818	4.4
213.16417	9.5
215.14381	3.6
215.17900	7.8
217.19612	4.5
221.15355	10.3
223.16841	14.9
227.12724	33.9
227.17921	4.0
231.17435	3.8
233.15321	3.7
235.16852	4.7
247.16997	3.3
249.18436	10.0
329.24881	3.0
357.83572	2.9
377.32159	2.9
379.33563	5.7
389.32031	6.9
391.33755	3.8
395.33295	6.8
407.33231	18.9
409.34384	4.0
423.32373	3.8
425.34344	13.8
435.32599	15.4
441.33240	5.0
443.35236	3.8
453.33640	27.9
471.35098	6.2
489.28384	32.5
489.35574	11.5
490.28525	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	489.3569
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.34592	0.7
55.05515	1.9
57.07056	1.7
67.05493	4.0
69.07066	4.8
69.95883	1.4
69.96301	3.0
71.04990	10.8
79.05489	3.4
81.07046	11.0
83.04983	1.4
83.08607	2.2
85.06516	1.3
89.05632	0.7
89.06030	7.9
91.05461	5.1
93.07030	13.0
95.04987	1.3
95.08580	11.8
97.06522	2.2
99.08094	2.2
105.07015	19.9
107.08584	16.4
109.06527	0.8
109.10131	9.1
117.07029	1.8
119.08572	19.9
119.09436	1.0
121.10130	14.0
123.08062	3.3
123.09000	0.7
123.11726	3.9
125.09623	4.2
127.11177	6.0
129.28952	0.9
131.08556	10.9
133.10120	20.8
133.11079	1.6
135.08035	2.2
135.11668	7.7
137.09625	1.5
137.13248	1.2
139.50433	0.8
143.08464	1.9
145.10103	15.3
147.11670	39.8
149.09645	2.2
149.13239	21.8
151.11098	1.0
157.10158	4.3
158.10931	1.1
159.11670	22.5
161.09633	2.2
161.13239	9.1
163.11171	3.6
163.14864	2.1
165.12787	1.9
169.10071	1.1
171.11739	1.9
173.13243	21.2
175.11235	1.9
175.14818	11.8
177.12752	1.9
177.16348	1.5
179.10699	0.8
185.13231	1.8
187.14825	5.3
189.12720	1.8
189.16344	7.1
191.10593	0.7
191.14272	4.5
191.17885	1.9
193.12227	2.4
193.15939	1.3
197.13260	1.0
199.14821	3.9
200.40407	0.8
201.12723	2.7
201.16389	15.4
203.14299	1.8
203.17941	2.4
213.16321	1.6
215.14226	0.8
215.17848	3.7
217.19427	3.7
219.13905	9.8
219.17395	22.3
225.16440	1.0
233.15321	1.6
233.18964	7.6
235.20482	2.1
237.14844	12.0
237.18449	11.6
243.21262	1.3
245.15526	0.8
251.16309	1.7
275.23639	1.7
335.25726	1.3
339.27209	0.9
373.27133	1.2
385.27347	0.9
407.32846	3.0
425.34250	5.1
435.32657	3.2
443.35141	1.1
453.33618	14.5
467.79803	0.9
471.34689	21.4
489.35703	100.0
490.35822	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	489.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.1
55.01863	2.8
55.05497	18.4
56.17332	1.9
57.03413	2.3
57.07066	8.5
57.42538	1.8
67.05495	27.4
69.03413	6.6
69.07062	32.3
71.04989	4.8
71.62393	2.5
75.68233	1.7
76.92245	1.9
79.05489	18.1
81.03403	3.8
81.07046	77.4
83.04968	7.1
83.08614	18.3
85.02877	6.5
85.06540	5.7
91.05461	23.1
93.07030	44.2
95.04939	6.9
95.08591	81.1
97.06535	6.0
97.10152	8.6
99.08073	4.4
103.05479	2.4
103.85706	2.1
105.07010	51.9
107.04950	3.5
107.08584	52.1
109.02873	2.5
109.06513	5.8
109.10139	52.7
111.04448	2.4
111.08060	6.2
111.11694	8.0
113.09668	2.7
117.07012	8.8
119.08565	51.2
121.06480	5.5
121.10129	43.8
122.07263	1.9
123.08062	6.2
123.11681	35.4
125.09635	6.5
127.03914	2.7
127.07522	1.8
129.06967	4.0
131.08551	27.0
133.10107	38.3
135.08017	7.5
135.11679	24.0
137.05989	5.0
137.09561	7.4
137.13246	11.3
139.11203	2.9
142.07816	2.7
143.08565	7.0
145.06471	2.6
145.10106	42.9
147.08047	3.0
147.11670	38.6
149.09627	4.1
149.13234	32.0
151.11104	4.0
151.14803	3.0
153.12753	4.6
154.78816	1.9
155.08562	2.7
155.14276	2.8
157.10098	10.3
159.11682	26.2
161.09621	7.0
161.13246	20.9
163.11156	6.4
163.14795	24.3
165.05490	2.0
165.09106	38.4
165.12759	5.5
167.06987	12.2
167.14326	3.2
169.10049	3.1
169.92747	2.0
171.11667	9.0
173.13243	26.4
175.11200	4.2
175.14807	34.2
177.12881	4.3
177.16359	32.4
179.17976	2.6
180.24821	1.9
181.05000	6.7
183.11737	2.9
183.13867	2.4
185.13226	8.4
187.11197	2.6
187.14787	41.2
189.12759	4.5
189.16351	24.3
191.14296	14.4
191.17897	11.8
193.12276	2.7
195.11678	2.6
197.13208	3.3
199.14775	13.6
201.12732	3.0
201.16380	17.7
203.14348	14.1
203.17917	51.0
203.19722	3.4
205.15851	100.0
205.19531	5.2
211.14867	2.8
213.16348	8.2
215.14438	2.2
215.17943	2.9
217.15898	5.0
217.19469	4.4
219.17427	4.2
221.13313	1.9
221.15349	9.7
223.16927	8.0
227.17880	3.8
231.17458	3.8
235.16841	2.7
249.18449	11.5
273.25793	10.2
291.26666	13.9
309.27808	3.6
377.32031	4.0
379.33597	3.2
389.32022	4.1
395.33386	10.2
407.33090	16.4
409.34653	3.7
423.32550	5.2
425.34329	12.6
435.32504	12.9
441.33691	3.8
443.35355	2.8
453.33878	18.2
471.30026	3.5
471.35461	3.8
489.17618	9.1
489.29745	2.4
489.36502	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	489.3569
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.01873	1.5
55.05501	4.6
57.07072	1.6
59.04984	1.7
62.80905	1.1
67.05505	9.7
69.03423	6.1
69.07059	7.0
69.88707	6.6
71.04980	17.1
79.05472	7.9
81.07040	18.1
83.04963	2.9
83.08602	3.5
85.06522	3.2
91.05466	6.9
93.07029	20.3
95.04980	3.3
95.08019	2.3
95.08590	19.5
97.06513	3.6
97.10192	1.6
99.08088	3.0
103.28593	1.1
105.07027	16.6
107.04902	1.3
107.08571	44.2
107.09273	2.5
109.06478	6.5
109.10140	15.8
111.04422	1.2
111.08086	3.9
117.07027	3.7
119.08566	25.1
121.06504	3.6
121.10122	14.8
121.10910	1.5
123.08040	7.3
123.11675	13.6
125.05959	1.6
125.09596	6.8
127.07513	2.1
127.11167	28.2
129.07019	2.5
131.08557	7.8
133.10109	15.7
135.08023	6.6
135.11670	12.5
137.09633	5.2
137.13232	2.1
139.11192	2.9
141.07031	1.4
143.08548	4.6
143.10754	1.6
144.09288	1.4
144.46901	1.1
145.10080	12.1
145.10922	1.0
147.08023	3.1
147.11653	15.2
149.09599	10.4
149.13219	5.6
151.11182	2.9
153.12766	2.2
155.08614	1.3
155.10658	13.0
156.09363	2.0
157.10133	7.8
159.08035	1.7
159.11644	13.2
160.08862	1.1
161.09627	5.0
161.13242	13.3
163.07527	2.9
163.11201	4.7
163.14873	2.3
165.12735	7.4
169.10156	3.5
170.10925	1.9
171.11670	9.8
173.09666	3.6
173.11858	2.5
173.13220	13.4
175.11159	7.8
175.14825	8.0
177.12782	3.1
177.16301	1.2
179.14301	6.7
181.10265	1.2
183.11771	4.2
183.13797	2.4
185.13161	5.7
187.11217	3.2
187.14824	8.2
189.12720	7.8
189.16368	5.5
191.10736	1.4
191.14290	5.1
195.11711	2.1
197.13269	3.9
197.15349	1.3
199.11281	1.3
199.14743	6.6
201.12804	3.0
201.16467	3.5
203.14366	4.2
203.17990	3.5
205.15828	2.4
208.12436	1.4
209.13246	2.9
211.14815	2.7
213.12714	3.3
213.16341	3.1
215.14316	2.6
215.17897	1.5
217.15929	3.8
219.17455	1.2
223.16872	1.5
225.16548	2.3
227.14354	1.3
227.17909	2.7
231.17480	2.1
233.19272	1.4
235.14888	1.6
239.17953	3.8
241.19556	1.6
245.19049	4.5
249.18611	1.5
257.19055	2.6
263.20267	2.0
265.19446	2.2
275.20038	1.5
283.20673	3.3
299.20126	2.4
301.21301	1.3
302.71732	1.3
313.21756	2.1
317.21149	2.9
317.24643	1.3
319.22852	2.1
325.21729	1.6
327.23154	1.6
331.22324	1.7
349.25381	3.8
355.26544	2.3
367.26248	15.1
373.27319	3.3
385.27313	51.5
386.27847	1.9
407.33231	2.0
417.31689	2.8
425.34302	5.4
435.32520	11.5
443.35226	3.1
445.33328	2.4
453.33572	39.7
454.34027	2.1
471.34662	100.0
472.34906	5.7
489.35818	42.8
490.36420	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3569
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03946	3.1
55.01862	2.9
55.05495	15.1
57.03435	2.1
57.07060	4.0
59.19527	1.7
65.66924	1.6
67.05492	17.5
69.03449	3.3
69.07054	16.5
69.07337	1.5
69.49140	14.1
71.04984	32.5
74.09698	8.7
79.05480	21.4
81.03407	2.6
81.07046	46.1
81.07500	2.3
83.04965	4.4
83.08608	9.4
85.06545	6.4
89.06033	2.6
91.05467	19.0
93.07037	35.1
95.04951	8.4
95.08592	51.5
97.06522	19.9
97.10181	3.9
99.04477	3.4
99.08073	10.0
103.14668	1.6
105.07016	42.6
106.07365	1.9
106.15970	1.7
107.04972	3.1
107.08578	70.1
108.08927	2.1
109.06516	9.2
109.10136	37.7
109.10809	2.8
111.08079	11.0
113.09698	2.4
117.07041	4.8
119.08566	63.6
120.08932	1.9
121.06510	3.7
121.10125	45.3
123.08046	11.2
123.11694	16.9
125.09610	10.8
127.07497	2.0
127.11176	30.7
128.06203	2.6
129.07001	3.2
131.08556	21.7
133.10114	37.6
133.11031	2.1
135.08096	7.4
135.11673	19.4
137.05823	2.1
137.09621	8.0
137.13246	10.0
139.07591	1.8
139.11218	1.8
142.07773	2.9
143.08556	9.2
143.96744	1.8
144.09369	3.4
145.10104	33.6
145.11110	2.5
147.08110	4.6
147.11658	35.1
149.09602	11.6
149.13225	13.3
151.11200	4.7
155.08533	2.9
155.10689	4.0
156.09328	3.5
157.10109	18.3
158.10913	2.6
159.08134	2.0
159.11673	38.1
161.09671	7.2
161.13246	20.0
163.11188	10.8
163.14883	6.0
165.09178	2.6
165.12749	28.8
167.14281	2.1
169.10112	4.5
170.10930	2.5
171.11656	15.0
173.09636	2.7
173.13232	39.7
174.13695	2.1
175.09892	1.6
175.11259	7.4
175.14824	17.2
177.12776	4.9
177.16365	3.1
179.14359	2.0
183.11856	10.2
183.13763	21.5
185.13203	11.7
187.11284	4.0
187.14771	22.1
189.12823	6.1
189.16382	17.6
191.10899	1.6
191.14247	9.4
193.15938	2.5
197.13359	7.7
199.14810	11.9
201.12683	8.4
201.16321	10.1
203.14310	8.1
203.18068	5.7
205.15952	6.7
207.13797	3.1
207.17578	2.2
211.14833	7.1
213.13055	1.9
213.16350	14.9
215.14421	5.2
215.17749	8.0
217.15988	4.8
219.13916	2.8
219.17525	5.6
221.13365	2.4
221.15488	5.8
223.17021	3.4
225.16409	2.6
227.17900	11.5
228.18637	2.1
229.15895	6.3
229.19467	44.7
231.17406	17.1
233.15445	2.8
233.19109	2.3
237.16646	1.9
241.19633	1.7
243.17609	4.2
243.21097	5.4
245.19185	4.8
247.16980	4.1
247.20526	16.0
249.18695	2.3
251.65921	1.8
253.19530	9.0
255.21059	2.6
257.19162	2.5
263.20270	3.0
265.21829	3.4
271.20526	41.2
289.21576	43.9
289.24448	3.1
305.21323	2.6
307.22604	100.0
309.22281	2.5
313.21609	2.4
355.26431	1.9
367.26492	3.9
407.33170	5.4
411.32880	4.1
417.31680	4.7
425.34387	5.4
429.33786	3.6
430.33344	1.9
435.32608	16.9
443.35294	2.1
453.33694	43.0
453.39334	3.0
454.33926	2.2
471.35416	19.2
489.35919	77.0
490.36389	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3567
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03939	2.8
55.05501	8.7
57.07068	3.5
59.04980	1.2
67.05494	13.5
69.03426	1.3
69.07057	15.1
71.04984	23.9
73.06548	3.5
73.31026	1.2
79.05473	15.2
81.03399	4.1
81.06568	1.9
81.07041	31.9
83.04967	5.0
83.08607	3.9
85.06540	1.9
90.82359	1.1
91.05468	15.1
93.07033	33.6
95.04962	6.5
95.08595	33.2
97.06521	5.0
97.10168	2.2
98.31298	1.1
99.08058	1.5
105.07014	26.7
107.08580	33.0
109.06501	5.2
109.10147	19.8
111.08049	2.6
113.09551	1.3
117.06993	5.1
119.08562	61.3
121.06483	2.9
121.10125	28.2
123.08039	3.3
123.11711	6.6
125.05984	1.4
125.09620	3.5
127.11166	14.5
129.06976	3.0
130.07771	1.2
131.08536	9.3
133.10115	39.1
135.08029	4.2
135.11679	35.8
137.09598	5.6
137.13231	4.7
139.07567	1.2
139.11134	2.1
142.07759	1.7
143.08542	5.4
145.10098	19.4
147.08017	2.4
147.11665	23.1
149.09610	3.0
149.13246	5.5
151.07561	1.6
151.11223	2.5
153.12720	23.6
156.09360	2.5
157.10106	8.6
159.11676	19.2
160.12405	2.0
161.09608	2.5
161.13226	13.4
163.11200	9.4
163.14793	3.5
165.09093	1.7
165.12793	2.0
169.10144	2.9
170.10843	1.5
171.11659	11.1
172.12413	2.1
173.09682	1.8
173.13242	16.9
174.13658	1.2
175.11235	4.4
175.14801	100.0
176.15154	1.8
177.12805	2.3
177.16367	4.9
179.14220	1.6
181.12221	9.3
183.11678	5.2
184.12459	2.3
185.13170	7.5
186.14015	1.9
187.11176	1.7
187.14767	11.7
189.12825	2.4
189.16348	12.2
191.14230	2.7
191.17882	2.8
193.15855	1.9
197.13232	6.1
199.13283	1.7
199.14810	10.2
201.12691	2.3
201.16345	32.7
203.14259	1.3
203.17932	28.1
205.15871	5.4
207.13791	5.3
209.13449	1.5
209.15437	1.5
211.14825	3.3
213.16302	6.6
215.14384	2.4
215.17932	5.3
216.15092	5.3
217.15759	2.4
217.19519	5.0
219.17406	2.5
223.14732	1.7
223.16939	1.6
225.16428	4.1
227.17960	4.9
229.15884	2.5
229.19431	1.8
230.16705	2.4
233.18820	2.3
235.14832	1.9
235.16936	1.9
239.17841	3.3
245.19006	5.4
247.16898	2.2
251.16461	3.6
253.19470	3.0
254.20285	4.8
255.21042	5.0
261.18530	4.4
265.18118	1.7
273.22119	3.0
305.21008	13.3
317.21155	1.6
319.22559	2.3
323.21997	2.4
331.22623	2.1
357.24268	2.0
361.23892	1.3
383.25772	2.4
407.33060	4.8
415.28259	6.7
417.31332	4.8
425.34109	3.1
429.29883	5.9
435.32571	18.3
443.35620	2.5
453.33600	89.2
454.33871	6.7
471.34689	53.1
472.35092	3.8
489.28348	10.4
489.35510	8.3
490.28467	1.8
490.35767	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3566
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05498	12.3
66.47736	2.3
67.05486	12.3
69.07066	14.1
70.02312	15.1
71.04975	7.5
79.05460	16.9
80.68710	2.6
81.07046	29.1
83.08605	5.5
91.05460	16.5
93.07025	32.1
95.04984	3.2
95.08588	34.7
97.06495	3.9
97.10161	3.1
98.21465	5.1
99.08047	3.8
105.07011	34.4
107.08578	42.0
109.06476	4.0
109.10128	22.7
117.07008	7.1
119.08566	59.1
121.10109	39.4
123.08023	5.5
123.11687	8.7
127.11172	3.7
129.06958	4.9
130.07762	3.6
131.08543	30.7
133.10104	37.1
135.08041	4.4
135.11664	23.9
137.09552	2.5
137.13271	3.1
143.08556	6.4
144.09299	2.7
145.09023	3.9
145.10100	47.0
147.11670	47.5
149.09656	3.0
149.13239	9.9
157.10117	8.2
158.10889	4.5
159.11659	34.5
161.09605	4.0
161.13258	20.0
163.11136	9.0
163.14796	9.6
169.10159	3.0
171.11659	10.6
173.13216	11.8
175.14796	21.8
177.12764	5.6
177.16362	16.5
183.11610	2.7
185.13170	4.9
187.14801	66.3
189.12617	4.4
189.16345	33.7
191.17949	4.2
199.14793	6.4
201.16350	87.7
202.16794	3.3
203.14241	2.5
203.17934	21.8
205.15846	100.0
206.16251	3.2
207.17409	8.2
213.16353	10.2
215.17940	7.4
217.19412	4.9
219.17424	12.3
223.16879	13.2
227.17917	3.4
229.15561	2.9
229.19356	4.0
231.17368	3.5
233.18990	3.2
239.18260	3.0
241.19649	2.9
247.16946	9.3
265.64807	3.0
296.16089	2.8
337.11978	2.6
389.32019	3.7
407.33075	32.8
409.34433	3.4
425.34146	22.3
431.01706	2.9
435.32388	7.9
443.35205	3.5
453.27924	3.2
453.33655	35.1
471.34857	17.3
473.13983	3.8
489.35931	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	489.3568
Annotation	Arjunolic acid
Peak:m/z	Relative Intensity
55.05495	14.5
57.03415	4.0
57.07050	5.3
58.70892	2.3
63.14413	2.6
67.05495	54.0
69.07048	22.0
69.53238	19.2
69.53649	3.9
71.04973	18.4
79.05486	23.5
81.07046	47.7
83.08604	12.1
85.06519	3.8
91.05459	24.3
93.07034	43.9
95.04976	3.0
95.08596	52.2
97.06493	4.2
97.10164	6.3
99.08080	6.5
105.07014	34.3
107.08574	52.8
109.06517	4.6
109.10136	48.7
111.11618	2.7
113.09589	3.0
117.07000	5.6
119.08555	52.0
119.09350	4.8
121.06477	5.2
121.10140	41.9
123.08028	3.8
123.11690	14.5
125.09620	7.5
127.11174	22.1
131.08542	18.4
133.10117	50.4
134.75716	2.5
135.11664	49.9
137.09641	4.2
137.13255	4.4
143.08536	5.0
143.10652	2.6
145.10112	23.6
147.11671	21.0
149.09607	5.2
149.13246	39.6
157.10133	7.2
159.11667	48.7
161.13226	23.5
163.11186	3.7
163.14877	4.9
171.11667	9.3
173.11702	7.6
173.13245	12.8
175.14867	10.3
177.12723	74.2
177.14226	4.1
179.14288	6.1
183.11708	3.2
185.13239	5.9
187.14825	7.8
189.12692	4.0
189.16411	6.2
191.14342	7.6
195.13969	2.9
197.13370	3.7
199.14755	4.5
201.12796	2.8
201.16396	6.4
203.17935	13.7
205.15881	5.0
212.06667	2.9
213.16451	3.8
215.18028	4.0
217.19421	16.3
219.17429	8.9
221.19019	8.1
227.17964	3.8
235.20485	16.6
245.18950	16.6
249.18509	3.7
257.19244	3.1
263.20123	10.3
285.22043	3.4
299.23712	3.0
379.29791	3.7
397.31021	5.0
409.31100	3.1
415.32162	3.9
425.34128	4.3
427.32190	7.5
429.33759	9.4
435.32751	7.1
443.35263	33.7
444.51910	2.7
453.33386	14.0
455.35318	4.6
471.34683	89.3
472.35144	5.8
489.35739	100.0
490.35999	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	489.3569
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.46160	1.4
53.03926	1.6
55.05506	8.9
57.03439	3.1
57.07063	2.5
59.04984	1.6
63.83056	1.5
67.05494	14.8
69.03429	2.2
69.07053	12.4
69.86914	6.8
71.04988	8.6
73.06550	1.7
79.05483	11.3
81.07044	24.8
82.48112	1.4
83.04971	3.2
83.08611	5.1
85.06548	4.2
91.05470	12.6
93.07038	26.9
95.04962	4.2
95.08596	36.9
96.64382	1.4
97.06507	6.6
97.10150	3.0
98.98459	5.3
99.04440	3.1
101.06017	5.6
105.07013	19.0
106.07353	1.3
107.08580	33.2
107.09280	2.3
109.06512	7.0
109.10146	23.3
111.08064	9.7
117.07030	4.2
119.08572	33.5
121.06532	6.1
121.10130	27.4
123.07240	1.5
123.08081	6.3
123.11684	12.8
125.09636	6.0
127.07577	2.5
127.11187	6.5
129.06989	1.7
131.08546	9.0
133.10112	26.3
134.66655	1.4
135.08070	3.7
135.11647	11.7
137.09618	4.2
137.13257	2.9
139.07539	8.1
139.11140	2.1
141.09152	1.4
143.08543	5.3
145.10109	17.7
147.08104	2.7
147.11668	27.3
149.09645	4.6
149.13252	9.5
151.11160	4.8
155.01073	5.3
155.08612	1.5
157.08803	2.2
157.10143	9.6
158.10829	2.1
159.11671	19.0
159.51027	1.5
161.09583	3.3
161.13229	14.2
163.11185	6.6
163.14748	7.0
165.09154	1.8
165.12758	6.6
167.10678	1.4
169.10149	3.6
171.11653	7.2
173.13203	13.3
173.54276	1.5
175.11243	3.5
175.14816	14.9
177.12775	4.7
177.16399	6.9
179.10692	1.9
183.11722	4.8
183.13853	1.7
185.13185	7.1
187.11153	1.6
187.14787	11.0
189.12817	3.2
189.16307	9.5
191.14302	4.0
193.15947	1.9
197.13272	5.7
199.14795	9.2
201.12692	2.4
201.16403	13.9
203.14410	3.2
203.18001	6.1
205.12207	1.6
205.15936	5.2
207.13950	2.0
207.17409	1.9
209.13222	2.5
209.15253	1.7
211.14856	5.5
213.16481	3.9
215.14391	3.5
215.17966	5.7
217.15924	3.4
217.19464	7.6
219.17485	6.3
221.15387	2.3
223.17052	2.1
225.16420	1.8
227.17967	3.6
229.15912	2.0
229.19469	2.0
231.17444	2.6
233.19031	2.0
247.16977	2.7
253.19495	2.2
255.21136	4.0
261.18591	2.5
261.22122	3.0
271.20355	3.1
273.22202	7.0
273.25467	1.9
281.19168	2.1
289.21613	4.1
311.20303	1.5
317.21271	2.5
335.25833	8.3
356.69638	1.5
365.28394	2.6
375.26700	2.0
383.29822	2.0
393.27808	5.3
407.33224	2.9
411.28802	7.0
417.31622	1.9
425.34564	2.7
429.30087	5.5
435.32443	5.9
443.35309	9.5
447.30978	16.3
453.33752	17.2
471.25089	2.0
471.35028	33.2
489.35782	100.0
490.36365	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	489.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01864	2.3
55.05500	17.0
57.03427	3.5
57.07067	11.6
59.04996	4.9
61.02910	2.0
65.03928	0.8
66.04702	0.8
67.05495	23.8
69.03420	7.7
69.07059	66.7
69.60727	3.6
69.61140	1.3
70.07388	0.7
71.04987	7.8
71.08334	0.7
71.08630	8.0
73.02899	1.3
73.06550	0.9
79.05480	13.8
81.03403	3.6
81.07046	100.0
82.07375	1.6
83.04974	2.8
83.08607	19.5
85.02895	22.8
85.06539	8.5
85.10167	1.2
87.04459	0.9
89.06019	0.9
91.05474	9.0
93.07029	36.3
95.04957	5.8
95.08594	70.2
96.08920	0.7
97.02869	3.9
97.06522	9.3
97.10150	7.8
98.21429	1.2
99.04449	2.0
99.08086	4.8
100.39004	0.6
101.05976	0.7
103.05477	1.8
105.07013	15.1
107.04969	2.1
107.08578	31.7
108.08901	0.7
109.02846	3.8
109.06538	4.1
109.10145	41.4
111.04429	1.3
111.08065	10.1
111.11708	17.4
111.12401	0.6
113.06004	0.6
113.09653	1.7
117.06976	1.6
119.04937	0.7
119.08559	11.3
119.09341	1.1
120.72482	0.7
121.06504	1.8
121.10128	24.3
122.03654	1.7
123.04418	1.6
123.08079	2.7
123.11691	40.5
125.05972	1.4
125.09641	2.4
125.13280	3.7
127.03928	3.1
127.07558	1.7
127.11163	1.7
129.07007	1.8
131.04904	3.2
131.08545	2.6
133.06497	1.9
133.10089	5.6
135.08022	1.6
135.11678	19.5
137.05963	27.5
137.09589	2.5
137.13231	22.6
139.11165	14.2
141.12747	1.5
143.08577	1.1
145.04942	2.1
145.06491	0.9
145.08562	1.1
145.10117	4.2
147.04388	1.7
147.08015	1.5
147.11681	9.2
149.05984	1.6
149.09595	1.4
149.13228	21.0
151.03949	1.1
151.07542	2.8
151.11192	2.3
151.14845	4.4
153.09102	0.8
153.11499	1.0
153.12729	15.1
155.08644	0.7
155.14252	6.4
156.10187	5.4
157.10114	1.2
159.08031	1.5
159.11717	2.7
161.06049	2.4
161.09654	0.9
161.13203	4.5
163.07539	2.6
163.11221	1.4
163.14818	8.8
165.09097	10.5
165.12727	6.6
165.16420	1.8
167.07024	34.1
167.14297	6.2
168.07343	1.8
169.10182	0.7
171.11755	1.1
171.13768	4.9
173.09715	1.8
173.13174	1.7
175.07587	1.1
175.11198	0.8
175.14767	3.4
177.09192	1.2
177.12741	1.0
177.16370	6.0
179.03307	0.8
179.07069	0.8
179.14342	1.8
179.17970	1.6
181.04980	1.3
181.08586	1.4
183.11716	0.9
183.13846	1.4
185.13271	1.0
185.15355	1.2
187.07538	1.2
187.11105	1.3
187.14737	1.0
189.09059	1.3
189.12747	1.4
189.16345	2.4
191.10660	1.5
191.17891	4.5
193.08612	2.1
193.10271	0.7
193.15839	0.8
195.10155	1.9
197.18971	0.6
203.08742	0.7
203.10661	1.0
203.17969	3.0
205.12268	1.9
205.19542	2.2
207.17653	0.8
209.18884	1.5
211.09660	2.7
215.10735	1.0
217.19542	2.9
221.18973	1.3
232.43810	0.7
233.09705	1.2
235.20547	1.4
249.09322	0.7
251.12924	0.7
261.08850	0.8
261.25775	5.6
273.25775	7.5
279.26794	8.0
284.10455	1.0
285.67444	0.7
291.26776	21.9
291.29932	1.3
293.11713	1.6
297.11365	0.8
297.27945	2.0
309.27789	7.2
310.11853	0.7
311.12640	1.6
318.15430	1.1
325.14215	6.8
327.03162	1.0
327.28842	1.3
341.13870	0.8
343.15436	1.7
364.62698	0.7
481.50638	0.8
489.18274	1.2
489.32108	2.5
490.22446	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55936	0.6
53.03937	2.0
55.01866	2.3
55.05252	1.3
55.05504	15.4
57.03431	1.6
57.07071	10.5
59.04987	2.2
65.03935	0.9
67.05497	26.1
69.03426	6.3
69.07061	48.5
69.61619	0.6
69.90331	1.1
69.90742	3.3
71.04989	3.9
71.08626	6.9
73.02901	1.0
73.06557	0.7
79.05484	14.9
81.03413	2.7
81.07049	100.0
82.07401	1.2
83.04977	2.5
83.08612	17.9
85.02897	15.5
85.06539	11.6
85.10166	1.2
86.06821	0.7
89.30589	0.7
91.05471	8.0
93.07034	35.9
95.04973	4.4
95.08596	74.5
96.08917	1.4
97.02882	3.4
97.06505	6.9
97.10159	9.5
99.04463	2.0
99.08084	7.7
105.04534	0.8
105.07024	12.4
107.04938	1.5
107.08582	41.8
109.02890	2.5
109.06521	2.8
109.10146	54.0
110.10512	1.1
111.04437	2.0
111.08079	12.5
111.11704	12.9
113.09656	1.6
115.03896	0.8
115.05434	0.9
117.07009	1.7
119.06055	0.7
119.08563	8.1
121.02861	0.7
121.06509	2.1
121.10130	26.2
123.04420	1.4
123.08073	2.6
123.11695	54.5
124.12028	1.3
125.06029	1.5
125.09601	3.6
125.13271	3.4
127.03886	3.2
127.11234	0.7
129.06984	1.1
131.04950	1.8
131.08588	2.5
133.06429	0.7
133.10136	6.6
135.08064	1.2
135.11676	24.0
136.12022	0.7
137.05963	8.1
137.09613	1.9
137.13240	31.1
139.07539	1.3
139.11168	7.1
141.07027	1.0
141.12735	3.6
141.41925	0.7
143.08553	1.5
143.14308	0.8
145.04985	2.6
145.06454	0.8
145.10152	2.4
147.08009	1.4
147.11676	8.8
148.12112	1.0
149.06001	1.3
149.09627	1.2
149.13249	25.0
151.07555	1.7
151.11148	1.3
151.14803	5.8
153.01825	5.0
153.12729	16.2
153.13939	1.2
155.14316	2.5
157.10144	1.9
159.08015	0.9
159.11710	2.0
161.05989	1.1
161.09615	1.6
161.13249	5.5
161.76295	0.7
163.07533	1.7
163.11209	2.2
163.14824	12.7
164.15129	0.8
165.09113	6.3
165.12790	4.4
165.16374	2.0
167.07030	44.5
167.14322	6.2
168.07349	1.8
169.10109	1.1
169.15785	0.8
171.13802	3.2
173.13306	1.7
175.07507	1.0
175.14830	3.1
177.09097	0.8
177.16371	11.5
179.07016	0.8
179.14243	0.9
179.17900	3.4
181.05013	0.8
181.08586	1.5
181.15858	1.1
183.13844	1.4
183.51120	0.9
185.13264	1.0
187.11223	0.9
187.14996	0.7
189.16414	4.2
191.10638	0.9
191.17920	6.7
193.08626	1.5
193.15987	1.3
193.19554	1.4
195.06557	0.9
195.17378	0.9
201.16463	1.3
203.10719	1.1
203.17896	3.8
205.08606	0.8
205.12239	1.1
205.19467	3.7
209.19060	1.3
211.07831	0.8
211.09735	3.0
211.20517	0.7
215.10612	0.9
217.19482	6.2
221.19020	1.3
233.22693	0.8
235.20670	1.6
245.22507	0.7
247.24162	1.5
251.12755	1.0
251.93898	0.7
261.25772	4.2
273.25748	7.8
277.08768	0.8
279.26831	6.1
291.26779	32.2
292.27289	2.1
297.27756	3.2
309.27832	11.3
327.28943	2.7
357.65042	0.8
489.23724	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.01846	1.7
55.05492	1.6
57.03432	2.1
59.04984	0.5
59.49950	0.5
65.03944	0.5
65.61962	0.4
67.05479	1.9
69.03423	4.9
69.07043	0.7
70.23155	1.8
70.23524	0.6
71.01347	0.4
71.04708	0.3
71.04984	3.8
73.02884	0.6
79.05481	3.4
81.03384	0.6
81.07028	1.7
83.04967	7.7
85.02893	6.3
85.06544	0.7
87.04444	0.6
91.05461	6.0
93.07037	1.0
94.04190	2.2
95.04940	3.3
95.08590	1.0
97.02894	0.8
97.06524	1.0
99.04461	1.0
100.07540	0.4
101.06033	0.5
103.05453	5.8
105.07015	14.4
107.04929	2.2
107.08577	0.7
109.06498	1.2
109.10165	0.7
111.04420	11.5
112.73338	0.4
113.05965	0.6
115.05405	2.4
117.07024	2.0
118.99507	0.4
119.04924	5.1
119.08549	0.9
121.06402	0.9
121.10121	0.9
122.03629	5.9
123.11626	0.5
125.05984	0.5
127.03921	0.7
128.06183	1.5
129.05453	1.1
129.07008	2.1
130.04056	0.5
131.04906	9.6
131.08569	1.6
133.02817	0.6
133.06470	18.1
135.04349	0.5
135.08049	1.5
136.05212	1.2
137.05956	100.0
138.06322	1.0
141.06969	1.8
143.04897	1.1
143.08536	1.7
144.05690	0.9
145.06465	5.0
145.10179	0.4
147.04388	12.3
147.08026	1.3
149.05959	4.7
149.09557	0.5
151.07520	50.8
152.07863	1.0
153.06961	1.2
154.07738	0.5
155.08543	2.5
157.06435	2.1
158.07274	1.0
159.08061	2.4
160.05179	1.8
161.05963	5.1
161.09613	0.9
162.06726	1.9
163.07512	12.8
164.04543	0.6
165.05457	1.2
165.06956	1.5
165.09084	9.6
167.07027	1.4
167.08525	0.5
169.06454	1.9
169.10034	0.5
170.07191	0.5
171.04355	1.1
171.06519	2.6
171.08058	3.0
172.05173	0.8
172.08810	0.5
173.05925	1.4
173.09631	0.6
174.06711	1.6
175.07518	11.6
175.09001	0.7
177.05449	4.2
177.09079	5.8
179.07011	20.3
179.10564	0.9
181.04990	0.5
181.06512	1.3
181.08595	1.3
183.08009	6.3
185.05867	2.1
185.09520	0.6
187.07503	7.1
187.11172	0.4
188.08276	0.8
189.05478	0.7
189.09067	4.8
191.07002	6.8
191.10641	1.5
192.07668	0.4
193.08591	3.4
195.06496	0.7
195.08171	0.4
195.10127	2.8
197.05960	0.9
197.09628	1.1
198.06683	0.7
199.07527	2.6
201.09073	3.6
203.07010	3.3
203.08612	0.4
203.10645	2.6
205.08600	2.4
207.10138	1.5
209.08015	1.0
211.07535	0.9
213.09023	1.5
215.07016	1.1
215.10646	2.1
217.08501	2.3
219.10069	3.6
225.09053	1.4
229.08534	2.3
229.12106	0.7
231.10127	2.7
233.08054	0.6
233.11693	1.3
235.09714	1.1
237.11263	0.6
243.10138	1.6
245.07953	0.5
247.09653	1.4
247.13292	0.6
249.11153	5.1
257.11652	1.5
261.11398	0.7
263.09167	0.8
264.07803	0.6
265.08560	0.7
271.09625	0.5
275.12729	8.2
277.08530	0.5
279.10001	0.9
283.09674	0.5
289.10822	1.0
291.10086	1.3
293.14032	2.2
297.11154	1.1
299.12689	1.0
305.11813	0.7
307.11789	6.4
309.11130	2.9
311.12802	1.5
323.12756	1.3
325.14258	0.8
335.12778	1.3
341.13889	2.0
343.15411	1.8
349.14334	0.6
355.15543	0.6
367.15366	1.3
371.14951	0.5
409.16400	0.6
435.18002	0.6
453.19031	1.0
471.19849	1.3
482.77356	0.5
489.21692	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	488.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	23.9
56.10303	3.3
67.05482	16.0
69.07062	26.7
71.04965	4.0
71.58746	6.6
79.05468	8.7
81.07040	32.1
81.67660	3.4
83.08591	13.5
83.75237	4.0
87.00837	3.6
91.05464	7.1
93.07034	26.2
95.08053	3.7
95.08562	22.7
97.06423	3.9
97.10142	15.9
105.07005	16.1
107.08575	43.5
109.06485	6.6
109.10124	23.0
111.08051	6.8
118.39435	3.4
119.08559	53.3
121.10127	26.2
123.08021	9.8
123.11670	10.3
130.73734	3.3
133.10098	19.1
135.08031	35.7
135.11662	19.2
136.44482	4.1
137.09569	12.2
137.13225	7.4
139.11139	4.2
145.10091	13.3
147.08025	7.3
147.11673	23.9
149.09579	4.7
149.13202	14.3
157.10040	3.7
159.11642	6.9
161.09576	10.9
161.13200	11.0
163.14803	100.0
165.09052	20.3
173.13303	6.0
175.11110	5.0
175.14725	11.0
179.10704	4.1
187.14801	9.7
189.16344	96.2
201.16382	3.8
203.17854	13.1
207.17410	13.2
213.16309	8.7
217.19511	5.0
231.17393	41.3
249.18440	16.5
273.22125	3.7
307.22644	6.6
357.27783	50.1
387.28738	13.3
435.36267	8.1
453.37384	63.1
471.38376	53.2
505.57068	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	488.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48836	0.4
53.03918	0.5
55.01864	0.9
55.05488	1.4
55.48776	0.4
56.05027	0.6
57.03432	3.9
57.63699	0.5
59.04993	0.9
59.88226	0.5
61.02912	1.1
67.05492	1.0
69.03419	4.5
69.61035	3.9
71.01329	0.5
71.04983	41.1
71.08620	10.0
73.02908	3.1
81.03399	2.3
81.07058	2.9
83.04972	3.5
85.02892	7.5
85.06535	7.1
87.04489	0.7
95.04948	2.0
97.02883	6.1
99.04434	1.8
99.08090	5.7
101.06001	5.4
101.07110	0.6
102.05547	0.8
103.07570	0.6
109.02841	3.2
109.06517	3.3
113.06001	6.1
115.03923	1.9
115.07545	0.6
117.09119	16.8
119.07017	0.6
127.03912	5.4
127.07533	20.4
129.05487	0.8
131.07016	11.1
133.04950	2.5
137.03531	0.6
141.05484	0.7
141.09090	17.2
141.10182	1.0
145.04921	2.3
145.08578	100.0
146.08928	2.0
155.07013	1.5
159.10146	3.2
163.06013	0.7
173.08098	4.0
177.11200	22.2
187.06010	0.8
191.09123	22.6
227.09062	0.7
257.10071	0.7
263.11218	1.0
275.11154	0.9
281.12155	0.8
287.11099	0.6
299.11163	1.5
305.12241	2.2
313.71249	0.5
317.12192	4.5
334.05777	0.5
335.13303	12.4
335.17126	1.0
366.45679	0.5
393.17435	0.6
417.17609	2.1
435.18518	5.6
453.19690	3.2
488.39243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01862	1.5
55.05489	2.3
56.93984	1.2
57.03432	14.6
59.04978	3.7
60.25021	1.2
60.95818	1.2
61.02912	2.3
62.13462	1.2
64.42889	1.2
67.05474	1.5
69.03071	2.4
69.03419	34.1
69.07047	2.9
70.06563	2.9
71.04983	19.8
71.08623	43.7
71.13233	2.3
71.13576	2.4
72.08141	1.8
73.02892	4.5
75.60174	1.2
79.05454	2.8
81.03403	7.6
81.07051	11.6
83.04955	4.7
84.96030	1.3
85.02419	2.3
85.02895	30.4
85.06537	3.9
87.04458	18.8
89.05962	1.5
91.05454	3.1
95.01304	3.5
95.04946	2.1
95.08617	1.6
97.02882	27.4
99.04424	5.0
99.08076	21.6
101.05984	3.1
105.07030	1.8
107.04911	1.7
107.08541	1.9
108.04414	1.3
109.02845	4.1
109.06504	17.0
110.27192	1.3
111.04427	1.3
113.02333	4.7
113.05965	3.4
115.03165	1.9
115.03926	28.1
117.03294	1.7
117.05483	1.1
117.09117	52.9
119.08523	1.3
120.08082	1.5
121.02856	1.7
121.10016	1.3
125.06057	1.2
127.03920	8.4
127.07515	8.7
131.07027	8.9
133.04939	27.6
135.88971	1.2
136.07545	2.6
137.05928	5.4
138.09093	2.1
141.09084	76.3
142.09464	1.5
145.02849	1.4
145.04933	5.0
145.08582	39.4
151.03925	2.1
153.01778	4.3
154.02205	1.3
155.07047	1.6
159.10165	13.3
163.03827	2.7
177.05406	6.3
177.11200	100.0
179.07030	1.4
179.99858	1.3
181.05020	1.9
190.08514	1.6
191.09099	5.7
207.07628	1.3
213.07506	1.3
233.74042	1.3
239.05405	2.9
255.11963	1.2
255.24548	1.4
257.06509	1.5
264.15884	3.0
272.12933	1.3
291.12155	1.1
308.14865	5.6
315.72070	1.3
327.44806	1.3
335.13333	4.2
343.49347	1.2
396.17615	1.3
435.18329	2.7
470.17578	1.6
488.21106	3.7
494.58228	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.9
55.01847	2.2
57.03418	6.9
59.04980	3.1
61.02916	4.1
65.03931	2.4
67.05476	4.3
69.03415	3.7
69.49210	13.5
69.49622	5.0
70.06562	2.2
71.04984	6.3
79.05491	3.9
81.03399	5.9
81.07041	2.3
81.90968	2.0
83.04976	2.7
84.08135	2.9
84.66486	2.2
85.02901	7.4
85.06564	2.0
86.09654	1.9
87.04425	2.0
91.05463	8.4
93.03364	4.1
93.07007	4.6
95.04949	39.5
95.08614	3.2
97.02892	5.0
97.06523	2.4
98.21558	3.8
99.04416	2.4
103.05451	4.0
103.93423	1.8
105.04504	2.7
105.07021	3.5
106.04165	10.1
107.04935	2.6
109.02860	4.9
111.04436	1.9
117.05474	2.9
121.06506	11.2
122.11008	1.8
123.04417	50.7
123.08085	1.9
124.07560	2.5
125.02316	2.4
125.05986	5.6
127.03894	6.7
127.07512	5.4
131.04948	2.0
131.07014	15.7
133.06491	2.7
134.03595	3.7
135.04359	2.2
137.05943	3.9
140.04659	15.0
143.03369	2.8
145.04962	2.0
145.08585	19.8
146.08958	2.3
148.05183	2.5
149.05963	22.4
153.01791	9.0
153.09068	6.0
154.02180	2.2
155.07024	30.4
156.07690	2.1
161.06013	3.2
163.03879	5.2
167.07045	10.1
177.05481	17.5
177.07559	3.4
179.06996	2.7
181.08533	15.6
183.06516	81.3
188.84203	1.9
191.07019	5.9
192.07881	2.9
193.08607	5.8
195.06509	8.5
209.08066	100.0
210.08438	2.3
225.07686	3.3
227.09148	2.2
229.65962	2.0
243.08589	4.2
389.90976	2.0
409.12103	2.0
471.99219	2.2
475.42169	2.6
488.20187	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	488.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.9
55.01847	2.2
57.03418	6.9
59.04980	3.1
61.02916	4.1
65.03931	2.4
67.05476	4.3
69.03415	3.7
69.49210	13.5
69.49622	5.0
70.06562	2.2
71.04984	6.3
79.05491	3.9
81.03399	5.9
81.07041	2.3
81.90968	2.0
83.04976	2.7
84.08135	2.9
84.66486	2.2
85.02901	7.4
85.06564	2.0
86.09654	1.9
87.04425	2.0
91.05463	8.4
93.03364	4.1
93.07007	4.6
95.04949	39.5
95.08614	3.2
97.02892	5.0
97.06523	2.4
98.21558	3.8
99.04416	2.4
103.05451	4.0
103.93423	1.8
105.04504	2.7
105.07021	3.5
106.04165	10.1
107.04935	2.6
109.02860	4.9
111.04436	1.9
117.05474	2.9
121.06506	11.2
122.11008	1.8
123.04417	50.7
123.08085	1.9
124.07560	2.5
125.02316	2.4
125.05986	5.6
127.03894	6.7
127.07512	5.4
131.04948	2.0
131.07014	15.7
133.06491	2.7
134.03595	3.7
135.04359	2.2
137.05943	3.9
140.04659	15.0
143.03369	2.8
145.04962	2.0
145.08585	19.8
146.08958	2.3
148.05183	2.5
149.05963	22.4
153.01791	9.0
153.09068	6.0
154.02180	2.2
155.07024	30.4
156.07690	2.1
161.06013	3.2
163.03879	5.2
167.07045	10.1
177.05481	17.5
177.07559	3.4
179.06996	2.7
181.08533	15.6
183.06516	81.3
188.84203	1.9
191.07019	5.9
192.07881	2.9
193.08607	5.8
195.06509	8.5
209.08066	100.0
210.08438	2.3
225.07686	3.3
227.09148	2.2
229.65962	2.0
243.08589	4.2
389.90976	2.0
409.12103	2.0
471.99219	2.2
475.42169	2.6
488.20187	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	487.3413
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03937	3.8
55.05496	14.4
57.07067	6.9
65.35734	3.0
67.05500	28.9
69.03411	10.3
69.07069	20.5
71.04966	8.5
71.62660	5.5
79.05480	19.4
81.03421	5.1
81.07047	66.2
83.04969	14.2
83.08614	13.8
85.02896	4.1
85.06528	9.6
91.05465	25.4
93.07027	48.5
95.04954	15.9
95.08587	62.8
95.64919	3.3
96.08926	4.5
97.02863	4.5
97.06515	9.8
97.10142	4.9
99.08069	8.9
105.07017	68.2
107.08580	68.9
109.06513	11.6
109.10145	42.0
110.10464	4.0
111.08072	6.7
111.11666	3.4
113.09614	4.1
117.06999	11.8
119.08562	100.0
121.06498	4.8
121.10118	49.6
123.08077	14.1
123.11677	36.3
125.09611	10.8
127.11224	4.0
129.07030	9.4
131.08549	45.9
133.06447	3.4
133.10118	68.8
135.08041	6.9
135.11653	23.6
137.05975	7.5
137.09622	13.0
137.13225	7.0
142.07771	6.4
143.08553	20.6
144.09328	5.1
145.06540	3.6
145.10110	73.6
147.08083	5.9
147.11664	56.2
149.09575	8.3
149.13190	17.5
151.11191	5.9
153.09038	4.6
153.12762	4.4
157.10065	27.2
159.08070	4.1
159.11670	44.8
161.09631	12.6
161.13240	25.6
163.11156	11.2
163.14847	13.9
165.09113	13.4
169.10168	7.3
170.10976	5.8
171.11664	23.1
173.09546	5.0
173.13232	44.7
175.11226	8.4
175.14810	44.4
177.12712	5.3
177.16389	18.0
179.14265	4.1
183.11722	10.4
185.13258	21.1
187.14775	62.6
189.12750	6.3
189.16345	30.8
191.14304	15.5
191.17992	4.5
193.15930	4.6
195.11769	4.4
197.13225	8.5
199.14790	29.7
201.12692	8.4
201.16348	49.0
203.14279	13.5
203.17955	15.4
205.15857	71.2
207.11816	3.9
207.17497	4.1
209.13300	5.2
209.15352	4.0
211.14876	6.5
213.16388	12.3
215.14301	5.5
215.17963	10.5
216.14830	3.2
217.15826	10.8
219.13760	6.8
219.17419	8.3
221.15353	9.0
225.16237	4.1
227.14459	4.2
229.15814	6.2
231.17406	5.1
233.15443	4.4
235.17021	6.0
239.18080	3.3
241.19484	3.7
245.15311	5.1
247.16881	8.6
249.14677	8.5
253.19455	4.1
255.21143	5.2
273.18390	4.1
285.10223	3.7
287.98282	3.9
289.25085	5.0
341.13138	3.7
405.31546	24.5
423.32654	25.9
433.30942	12.2
439.32413	4.9
441.33932	17.7
451.32071	33.9
452.32425	3.8
469.33344	65.8
470.33447	5.6
485.16412	4.0
487.33798	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	487.3414
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.00166	2.8
55.01851	3.3
55.05513	18.8
57.03409	4.0
57.07065	3.6
64.83785	2.4
67.05495	25.9
69.03408	9.2
69.07063	21.7
69.46774	5.9
69.47166	23.5
71.04963	7.0
79.05492	17.8
79.90032	2.7
81.03394	5.1
81.07046	52.2
83.04952	7.9
83.08601	13.1
85.06526	3.9
91.05472	30.6
93.07039	51.3
95.04946	9.2
95.08599	71.4
96.08927	2.9
97.06501	9.7
97.10173	5.1
97.39606	2.7
99.08088	5.3
105.07013	59.2
105.46076	2.8
107.04951	4.1
107.08583	67.0
109.06493	12.7
109.10141	37.3
111.08064	8.0
117.07010	10.1
119.08566	100.0
121.06489	6.1
121.10134	47.1
123.08060	6.0
123.11698	18.1
125.09611	12.4
129.06984	5.7
131.08553	40.2
133.06468	6.0
133.10106	46.0
135.08040	9.3
135.11670	24.4
137.05956	4.7
137.09558	5.1
139.11179	3.2
142.07710	4.0
143.08525	19.1
144.09227	4.1
145.06377	4.2
145.10094	63.3
147.08051	4.2
147.11668	34.2
149.09587	12.5
149.13222	11.6
153.09117	4.7
155.08554	5.1
156.09280	3.4
157.10123	29.8
158.10832	3.5
159.07970	3.2
159.11668	52.6
161.09554	8.8
161.13246	32.4
163.07481	4.9
163.14784	15.5
165.09091	8.9
165.12700	3.3
169.10100	10.9
170.10922	5.0
171.11688	19.7
173.09499	4.1
173.13237	52.1
175.11174	7.8
175.14799	43.6
177.12671	3.7
177.16309	16.5
179.14279	6.2
183.11670	12.2
185.13228	30.3
187.14789	58.3
188.15117	4.0
188.85545	3.6
189.12720	5.3
189.16327	30.2
191.14313	23.5
191.17915	10.2
192.14655	3.8
193.15923	5.3
197.13271	9.2
198.13885	3.0
199.14813	30.3
201.09175	3.4
201.12646	4.1
201.16338	53.9
203.10738	4.5
203.14304	32.6
203.17905	18.0
205.15862	40.1
209.13385	3.6
211.14781	7.1
213.12685	3.6
213.16382	17.7
215.14299	5.1
215.17873	5.1
217.15884	17.5
219.13805	4.5
219.17496	17.5
219.19258	3.2
221.15323	8.5
225.16364	3.2
227.17793	7.2
229.15976	3.5
231.13794	3.6
231.17485	7.0
233.15396	9.4
235.16930	6.2
237.16379	3.4
241.19528	4.1
245.15327	7.3
247.16862	6.6
249.14754	17.0
253.19658	3.3
255.21057	3.7
259.16794	7.8
283.20453	4.2
335.23517	3.5
387.30368	5.1
395.25867	4.7
405.31546	37.9
421.30789	4.4
423.32736	25.5
433.31094	23.5
441.34232	16.6
450.17270	3.3
451.32278	26.3
454.03586	3.6
469.33368	34.0
487.34625	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3415
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05499	17.9
57.07062	3.5
62.69409	3.3
67.05498	21.4
69.03403	4.2
69.07064	21.8
70.81123	7.3
70.81448	3.2
79.05479	18.1
81.07043	50.6
83.04955	8.4
83.08598	13.3
87.51469	3.4
91.05473	29.9
93.07031	38.5
95.04948	4.3
95.08596	76.2
96.08913	4.2
97.06500	8.7
105.07014	63.6
107.08569	67.1
108.23524	3.2
109.06487	6.8
109.10145	45.7
111.08076	6.3
117.07005	10.3
119.08563	82.0
120.59305	3.3
120.67324	3.2
121.06478	5.2
121.09306	4.1
121.10134	51.0
122.10397	4.1
123.08050	8.2
123.11693	15.2
125.09593	8.6
129.07047	6.2
131.08565	39.8
133.10110	60.9
135.08063	3.2
135.11661	25.4
137.09650	8.8
143.08574	14.0
144.09233	3.0
145.10109	76.5
146.10474	4.1
147.10629	4.0
147.11673	42.2
148.61427	3.7
149.09547	4.8
149.13237	16.9
151.11067	3.4
155.08554	4.2
156.09311	8.0
157.10104	29.0
159.11670	61.8
159.12869	5.9
161.09572	9.2
161.13223	31.3
163.11139	7.1
163.14810	24.0
165.09074	8.5
169.10094	5.9
170.10855	4.6
171.11673	13.3
173.13251	43.3
175.11174	5.6
175.14819	35.5
177.09023	3.9
177.12694	6.3
177.16377	16.0
183.11604	7.1
185.13261	23.7
187.14815	100.0
188.15132	8.1
189.12653	4.5
189.16396	34.5
191.14307	21.5
191.17923	22.0
193.15773	4.4
197.13193	5.6
199.14784	18.9
201.12604	4.0
201.16356	63.4
202.16792	3.7
203.14302	17.0
203.17940	53.9
204.18405	4.2
205.15820	30.7
207.17360	4.3
209.15306	17.8
211.14822	4.7
213.12715	3.5
213.16376	14.1
213.36058	3.3
215.14394	5.0
215.17928	12.6
217.15874	15.3
219.13808	4.7
219.17424	8.5
221.15334	9.9
225.16394	4.7
227.17903	3.9
229.15718	5.1
229.19479	3.3
231.17329	4.5
233.15445	3.2
233.18979	4.2
235.16962	7.1
239.18021	5.9
241.19408	4.5
247.16862	9.9
249.14865	4.1
259.16895	3.8
377.32193	4.5
387.30569	5.4
389.31958	3.6
393.31168	3.6
405.31601	20.0
407.33121	10.7
421.30179	3.7
423.32285	9.8
425.34155	4.9
433.31006	6.1
439.31992	6.6
441.33383	6.1
443.35208	4.9
451.32092	26.7
469.32825	12.7
487.34442	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	487.3411
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
55.01854	3.0
55.05502	10.1
57.03432	2.1
57.07059	4.0
57.13884	1.8
59.04996	2.9
64.00295	1.8
67.05492	18.6
69.07052	16.7
71.04979	30.1
73.06535	3.6
79.05492	11.3
81.07048	45.2
83.04985	5.1
83.08605	6.0
83.96249	2.0
85.06515	2.3
91.05467	14.7
93.07028	41.6
95.04946	6.5
95.08595	45.3
97.06511	7.2
99.08088	3.4
105.07014	29.9
107.04945	2.8
107.08578	50.8
107.09282	3.4
108.72498	1.9
109.06501	4.0
109.10135	27.1
109.10804	2.0
111.08071	7.9
117.07021	5.6
119.08566	58.1
121.06498	4.9
121.10130	41.8
123.08051	15.9
123.11697	16.0
125.09625	10.4
127.11166	27.3
129.06982	2.8
131.08559	20.4
133.10114	38.5
134.10478	2.4
135.08069	6.3
135.11671	41.8
137.09657	8.7
137.13225	5.7
139.11153	1.7
141.06906	1.8
143.08539	10.2
145.09019	3.0
145.10112	40.1
147.08022	5.1
147.11664	26.6
149.09599	7.5
149.13252	11.7
151.07539	4.0
151.11150	13.1
153.09047	2.6
153.12714	28.3
156.09322	3.1
157.10126	15.9
158.10918	3.5
159.07985	3.6
159.11659	33.0
160.12132	1.7
161.09608	6.5
161.13234	19.5
163.11201	15.3
163.14827	6.7
165.09111	7.7
165.12782	3.5
166.46526	1.9
169.10118	7.0
170.10867	4.8
171.11658	15.8
172.12473	1.9
173.09604	4.7
173.13237	33.3
175.11165	6.3
175.14783	15.1
177.12762	6.7
177.16414	5.1
179.14357	6.6
181.10829	2.1
181.12180	12.7
183.11673	5.9
184.12346	3.7
185.09676	2.3
185.13213	15.3
186.13942	2.1
187.11209	3.1
187.14812	25.1
189.12755	5.7
189.16365	14.6
191.12509	2.7
191.14232	20.2
191.15509	1.7
191.17926	4.3
193.15863	2.7
195.11659	4.0
197.13246	8.2
199.13133	3.0
199.14796	15.1
201.12793	5.8
201.16379	19.3
202.16791	2.0
203.14247	6.4
203.17891	3.4
204.01302	1.7
205.15851	13.3
207.11829	1.7
207.13760	2.6
209.13257	3.3
211.14827	6.6
213.12823	3.3
213.16394	7.6
215.14313	7.1
215.17934	4.0
217.12476	1.9
217.15898	11.2
219.13844	1.9
219.17433	12.9
221.15317	2.1
223.14905	3.5
223.16968	4.2
225.16449	4.4
227.14241	2.2
227.17886	4.3
228.14772	2.2
229.15825	4.6
231.17435	6.2
233.15370	5.8
235.14801	2.5
235.17027	5.2
237.16417	4.6
241.12228	2.1
241.15945	3.4
243.17412	3.2
243.21236	1.9
245.18954	6.3
247.16872	4.5
249.18501	2.3
251.16246	17.3
255.17494	2.4
257.18933	2.6
259.20642	3.2
261.18460	1.9
265.17987	3.8
269.18918	2.1
271.20572	6.7
273.18646	4.3
285.18365	2.6
287.20105	7.9
289.21774	3.5
291.19516	5.1
305.21054	39.0
308.21133	1.8
309.18411	4.0
317.21066	3.8
319.22672	2.4
323.83591	1.9
327.19485	8.0
345.20599	5.6
347.23648	2.5
363.26563	2.6
365.24744	2.7
383.25772	2.0
405.31418	10.7
415.29724	2.8
421.31009	5.3
423.32669	25.6
433.30945	21.0
438.55649	2.4
439.31998	2.6
441.33600	18.9
451.26266	3.8
451.31982	54.1
452.32147	3.9
469.33060	100.0
470.33261	7.5
487.34122	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	487.3414
Annotation	gypsogenic acid
Peak:m/z	Relative Intensity
53.03951	2.0
55.05500	13.3
57.03415	3.1
57.07059	4.3
59.05000	2.5
67.05484	17.9
69.03402	4.1
69.07061	20.2
69.35568	18.2
69.35977	5.3
71.04971	7.0
79.05482	14.9
81.03406	3.4
81.07049	46.5
82.85122	2.2
83.04940	5.0
83.08604	13.5
85.02875	3.4
85.06527	4.5
91.05476	17.5
93.07027	43.3
95.04939	6.9
95.08598	69.0
97.06515	7.7
97.10155	5.6
98.21548	4.2
105.07022	62.2
107.08587	74.5
109.06487	9.4
109.07600	3.1
109.10143	33.3
111.08050	9.7
113.45312	2.1
115.05396	2.4
117.06976	7.5
119.08566	89.1
121.06483	7.2
121.10131	53.5
121.10767	1.3
121.10987	1.9
123.08035	6.7
123.11725	13.8
124.87460	2.4
125.09624	5.4
127.11122	4.6
128.06187	3.2
129.06978	9.1
130.48557	2.2
131.08545	32.2
133.10118	56.6
135.08002	8.9
135.11676	27.4
137.09598	7.5
139.07527	3.4
139.11086	2.5
140.30804	2.2
141.06960	3.5
142.07733	6.5
143.08539	27.4
144.09328	3.0
145.10112	81.5
147.08035	7.4
147.11668	41.9
149.09616	5.7
149.13246	35.8
151.11147	2.9
153.09058	2.9
155.08540	10.7
156.09315	8.9
157.10120	41.8
158.10814	3.1
159.08058	3.8
159.11684	49.7
160.11958	2.5
161.09624	10.7
161.13231	32.1
163.07439	2.2
163.11159	9.3
163.14796	35.2
165.09010	3.3
165.12695	2.7
167.08502	2.5
169.10147	8.5
170.10858	8.9
171.11674	28.7
172.12459	3.5
173.09584	6.2
173.13249	50.1
175.11200	8.7
175.14799	56.9
177.12756	6.5
177.16367	79.1
178.16742	3.2
179.10648	3.5
179.14211	2.8
181.10139	3.6
181.12218	6.4
182.10838	6.4
183.11670	16.5
184.12337	2.4
185.09590	2.1
185.11641	3.4
185.13237	39.9
186.13889	2.3
187.11246	5.0
187.14795	100.0
188.15128	4.5
189.12715	11.8
189.16380	50.5
191.10724	3.3
191.14291	10.7
191.17938	8.8
193.12157	2.5
193.15851	15.3
195.11600	3.4
196.12358	3.4
197.13300	16.7
199.14783	28.3
201.12674	4.3
201.16356	30.4
203.14255	28.3
203.17906	33.6
205.15871	13.3
207.14050	2.2
207.17319	5.1
208.51306	2.2
209.13335	5.4
211.14824	16.5
213.12891	2.8
213.16368	24.3
215.14360	10.7
215.17888	7.9
217.15814	14.2
219.17393	7.8
221.15320	10.3
223.14813	4.6
223.16870	7.4
225.01018	2.5
225.16441	5.4
227.17857	8.8
229.15892	11.6
229.19496	5.0
231.17403	28.3
233.15344	10.9
235.16885	10.4
237.16412	4.4
239.18085	2.5
245.15460	2.8
247.16930	11.5
249.18472	52.4
251.16336	16.4
253.19620	2.8
257.22287	3.2
261.18427	2.6
265.17734	3.5
265.58612	2.7
267.19537	33.6
271.20535	3.1
367.26151	2.5
375.30417	6.2
387.30325	6.5
393.31805	10.7
395.33020	2.9
403.29865	4.4
405.31488	35.9
415.28592	2.4
421.31107	11.4
423.32523	61.5
424.32797	5.5
433.30988	24.9
434.30960	2.4
439.32104	4.4
441.33618	74.7
442.34091	6.6
443.35208	4.3
451.31989	49.7
452.32483	5.0
469.33261	39.2
470.32813	2.8
487.28339	3.8
487.34186	62.7
488.34247	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	487.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	17.1
57.03432	4.0
57.07066	5.6
61.02906	2.1
64.15119	1.8
65.03941	2.7
65.95461	1.7
67.05493	32.5
69.03423	12.3
69.07056	45.2
69.33099	9.1
69.33524	12.6
71.04975	5.6
71.08617	2.3
73.06565	4.6
79.05479	24.9
80.02579	1.7
81.03403	7.6
81.07045	87.1
83.04977	4.4
83.08606	17.9
85.02879	23.7
85.06525	4.3
91.05463	23.6
93.07029	52.3
95.04957	8.7
95.08591	100.0
97.02876	7.3
97.06508	6.9
97.10189	11.7
99.08081	4.8
101.05992	4.2
103.05445	2.4
105.07016	36.8
107.04917	3.1
107.08584	50.5
109.02919	3.9
109.06499	8.5
109.10145	58.2
111.08051	6.3
111.11710	5.3
115.03925	2.1
117.06999	4.7
119.08556	32.9
121.06504	5.1
121.10132	37.6
123.08073	5.2
123.11692	31.2
125.09653	5.2
125.13250	2.0
127.03870	6.0
127.07568	3.1
131.04872	2.5
131.08528	16.4
133.06494	2.5
133.10117	34.1
135.08052	2.9
135.11681	26.5
137.05984	6.3
137.09593	16.1
137.13206	11.1
139.11179	13.3
143.08519	2.8
145.04973	2.2
145.08675	2.3
145.08922	2.6
145.10085	18.3
147.04375	2.0
147.08008	2.3
147.11661	24.2
149.09576	2.6
149.13266	21.0
151.11172	6.5
151.14804	3.9
153.01765	4.5
153.12769	3.2
153.75975	1.8
155.08539	2.3
155.10645	9.9
157.10167	3.2
159.08043	3.5
159.11671	16.2
161.05960	2.6
161.09566	5.0
161.13220	20.3
163.11118	2.8
163.14787	16.3
165.09084	4.2
165.12724	10.9
169.12251	3.3
173.13251	8.1
175.14767	9.7
177.08984	1.9
177.16440	9.4
179.03448	3.0
179.14259	3.9
187.14828	8.3
189.16342	14.8
191.17934	2.9
201.16315	5.4
203.17928	4.2
204.17940	1.9
207.17410	5.1
215.17946	13.9
221.18953	2.3
225.18459	5.4
233.18939	5.1
271.24182	19.9
277.25171	4.2
289.25253	23.6
307.26245	14.3
325.27478	3.5
367.26080	2.2
415.28497	3.5
421.29099	2.3
433.29303	3.4
487.20959	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	487.2143
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
53.03937	0.3
55.01850	0.3
55.05502	0.4
57.07045	0.3
59.96845	0.2
67.05492	0.7
69.03411	0.9
69.07060	0.8
70.06578	0.9
71.04980	1.1
71.62306	0.4
73.02885	0.4
79.05467	0.6
81.03409	0.7
81.07056	2.1
83.04976	0.7
85.02884	1.3
85.06527	0.3
86.09698	1.1
87.04479	0.3
91.05476	0.6
93.07050	1.4
95.04952	1.0
95.08587	1.3
97.02887	0.9
97.06496	0.5
97.10175	0.3
99.04413	0.4
105.07021	0.9
107.04849	0.3
107.08599	1.1
109.02875	0.5
109.06474	0.5
109.10144	0.9
111.04467	0.3
111.08047	0.4
117.07016	0.3
119.08575	0.6
121.06519	0.3
121.10141	0.6
123.11710	0.4
125.09616	0.4
127.03856	0.7
131.04907	0.8
133.10098	0.6
135.11711	0.5
137.05962	0.8
137.09662	0.2
145.04974	0.3
145.08569	0.7
145.10199	0.3
147.04417	0.4
147.11668	0.5
149.05914	0.5
151.07492	0.4
153.01794	0.7
153.12730	0.4
153.50679	0.3
154.38152	0.3
159.11673	0.3
161.05942	0.4
161.09647	0.3
163.07652	0.3
167.07101	0.3
173.13176	0.3
174.05612	0.3
175.07552	0.4
177.05467	0.4
193.12070	0.4
203.05275	1.3
229.15544	0.5
265.14429	0.2
265.72241	0.3
275.07401	0.9
307.19040	0.3
325.20059	0.6
335.09430	13.5
355.17206	4.5
476.11307	0.3
487.21442	100.0
488.21796	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	487.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
57.03424	43.0
58.03745	0.5
59.04978	1.0
61.02919	0.6
67.05473	1.7
68.61536	0.3
69.03417	5.2
70.06563	0.6
70.74345	1.3
71.04968	1.7
73.02876	0.9
75.04461	1.2
79.05456	0.5
81.03403	4.0
81.07024	0.9
83.04965	2.0
85.02872	4.3
85.06519	1.2
85.07624	1.0
85.93607	0.3
87.04453	0.7
89.06001	1.9
93.07028	0.4
95.04423	0.5
95.04953	3.8
97.02875	2.9
99.04431	9.8
99.94736	0.4
101.05968	0.7
107.04966	0.4
109.02845	3.1
109.06487	0.8
109.10116	1.2
111.04385	0.9
113.05978	4.5
115.03909	0.5
117.05471	15.8
123.04395	0.7
123.08021	0.4
124.07581	0.4
127.03887	6.0
127.07518	0.4
127.55732	0.4
129.05463	1.2
131.07014	100.0
132.07332	1.3
135.04398	0.7
137.05940	1.3
137.09540	0.4
140.07030	0.4
141.05415	2.0
143.03352	0.6
143.06937	0.4
145.04932	1.6
145.08592	0.6
147.04292	0.5
149.08067	2.2
149.09698	0.4
153.01796	4.3
154.02147	1.0
155.02267	0.5
155.06995	1.3
159.06485	4.7
163.03894	1.7
165.05556	0.4
167.07007	0.5
167.09120	1.4
173.08047	3.5
177.07541	11.9
187.06097	0.5
189.05310	0.4
192.06560	0.5
193.04955	0.4
243.08618	0.7
284.11929	0.4
285.09723	1.3
297.13876	0.3
303.10641	3.5
307.13034	0.6
321.11719	2.8
325.13754	0.9
335.13263	1.2
355.11722	0.4
391.15808	0.5
429.67148	0.4
433.16858	2.3
451.17810	1.5
487.13220	0.7
487.17914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.0
63.76426	0.4
67.05500	0.8
69.03427	4.6
70.58050	1.6
70.58402	0.6
71.04980	39.8
72.05322	0.6
73.01593	0.4
81.03403	3.1
85.02885	2.7
85.06533	5.2
87.04452	0.5
95.04945	1.4
95.94312	0.5
97.02896	3.4
99.04456	2.8
103.07558	0.7
109.02851	1.9
112.11054	0.5
113.05970	6.3
117.05495	2.2
127.03897	4.1
127.07533	17.3
131.07027	12.0
135.71915	0.5
145.04913	2.2
145.08577	100.0
146.08936	0.9
153.07588	0.9
155.06969	0.6
163.06059	0.5
173.08072	2.4
187.05994	0.8
191.09135	11.1
257.10107	0.7
299.11292	1.3
300.85602	0.5
317.12369	2.5
321.11850	2.1
335.13245	4.3
336.57892	0.5
372.09549	0.6
433.17010	0.7
451.17889	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.05491	0.7
57.03415	1.1
59.04982	0.8
67.05482	1.2
67.69135	0.3
67.81599	0.3
69.03419	5.6
69.07038	0.4
69.44250	3.4
71.04980	38.2
71.57178	0.3
73.02901	0.6
81.03400	3.0
81.07053	0.6
83.04953	1.0
85.02888	4.1
85.06523	6.1
85.07638	0.5
87.04422	0.4
91.05441	0.4
95.04954	1.7
95.08578	0.6
97.02869	3.5
98.20763	0.8
99.04444	3.0
103.07553	0.4
105.06982	0.6
107.08553	0.5
109.02846	2.4
109.06517	0.3
109.10164	0.7
111.75326	0.4
113.05986	6.6
114.52036	0.3
117.05457	1.3
119.08562	0.5
123.04384	0.5
123.08004	0.5
127.03889	5.5
127.07529	20.3
128.07896	0.4
131.07016	13.7
133.10098	0.6
135.06485	0.5
137.09554	0.7
141.05391	0.5
143.06976	0.8
145.04942	2.7
145.08571	100.0
146.08896	1.3
153.01782	1.0
153.07561	0.9
155.07027	1.4
159.06544	0.3
163.05975	0.9
166.06949	0.3
173.08076	3.1
177.07573	0.3
181.97256	0.4
187.05965	0.4
191.09120	11.2
193.15913	0.8
210.93520	0.4
257.10086	0.8
263.16623	0.4
275.11084	0.5
279.10687	0.8
289.12540	0.7
297.11554	0.6
299.11273	1.0
307.13071	0.7
317.12259	2.8
321.11691	2.6
325.13986	0.5
335.13263	4.0
391.15897	0.4
433.17007	0.8
451.18057	1.6
487.18076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.1
55.05496	3.7
57.49785	1.6
65.03938	1.6
67.05496	4.6
69.03419	92.0
69.07055	4.4
69.95696	8.2
71.04980	1.7
73.02900	2.5
79.05482	7.2
81.07034	8.9
82.82005	2.1
83.04967	1.7
84.51211	1.5
85.02890	6.9
91.05463	16.0
93.07037	9.6
94.04164	2.4
95.04961	12.1
95.08584	6.9
97.06506	2.2
98.20779	1.6
99.04412	2.1
102.04671	2.4
103.05451	36.2
105.07015	14.9
107.04908	3.3
107.08574	6.5
109.06486	3.5
109.10128	6.7
111.04421	27.0
115.05462	6.2
116.06258	2.4
117.07005	6.6
118.31664	1.7
119.04965	14.0
119.08546	5.4
121.02831	2.0
121.06510	9.2
121.10123	3.2
123.08055	5.1
123.11687	3.3
127.03915	2.5
129.06989	3.2
130.04114	8.6
131.04907	100.0
131.08556	3.0
133.02847	11.7
133.06422	11.1
133.10121	4.6
135.04410	5.9
135.08011	5.1
135.11676	2.6
136.73196	1.4
137.05949	47.1
137.09610	2.8
137.13223	1.8
139.07567	2.3
145.06464	9.8
145.10095	3.6
146.03558	2.3
147.04398	29.7
147.08058	7.9
147.11653	2.9
149.05954	20.9
149.13242	2.5
150.06760	18.3
151.03856	2.7
151.07535	13.5
152.04636	2.0
153.05470	2.4
155.08615	2.7
157.06447	2.0
159.04381	2.2
159.08020	3.4
161.05960	30.2
161.07233	2.5
161.13307	1.5
162.06738	38.3
163.03941	2.5
163.07523	86.6
163.14700	2.2
165.05440	4.0
165.09073	6.8
167.07027	17.2
171.04359	2.0
173.06000	4.6
173.09601	2.2
173.13228	2.0
175.07530	15.5
175.14757	2.7
176.04681	1.7
177.05443	11.6
177.09094	6.4
178.06232	1.8
179.07007	24.3
179.08516	2.3
181.05022	2.6
181.08588	3.7
183.08078	5.3
185.05986	1.9
185.24266	1.7
187.07497	4.9
189.05475	4.1
189.09128	4.1
189.16345	1.6
191.06992	39.0
193.08607	22.8
195.06462	3.5
195.08070	2.5
197.07942	1.9
199.07516	3.6
201.09039	3.4
203.06935	7.6
205.08545	5.6
207.06494	3.0
207.13718	2.1
209.08051	13.6
211.07527	4.1
213.09058	3.0
215.07004	2.0
215.10619	2.7
217.08609	4.8
219.10161	3.4
221.08011	12.2
223.09581	2.6
225.09212	2.2
227.07042	2.4
229.08588	4.5
230.75035	1.5
231.10106	3.1
233.08002	9.9
235.09550	3.0
241.08586	5.3
243.10132	4.0
245.08064	2.3
247.09727	7.6
250.52805	1.9
259.09573	7.5
261.11227	2.8
267.10077	1.9
271.09647	5.9
277.10767	3.6
283.09836	2.1
289.10681	10.9
289.25247	2.1
295.09634	2.1
299.12610	1.7
307.11655	4.5
315.12173	22.8
327.12250	39.6
335.12982	2.8
339.12354	7.6
341.13757	20.6
342.14047	2.0
345.13309	7.9
351.12296	2.2
353.13699	13.7
359.14795	8.5
371.14969	13.0
389.15924	8.8
398.39548	1.8
439.17395	8.2
451.17435	2.9
457.18326	7.0
469.18497	17.3
487.19580	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	487.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01867	3.1
55.05503	10.9
57.03423	4.0
57.07060	2.7
57.49254	1.5
59.04980	2.4
63.21963	1.3
65.03941	1.8
67.05489	14.0
69.03419	96.2
69.07056	15.6
71.04985	7.2
71.62378	2.7
73.02908	2.2
73.06538	11.8
77.03909	1.5
79.05478	14.3
81.03404	6.8
81.07047	38.2
83.04964	5.8
83.08605	3.2
85.02894	12.5
85.06519	6.4
91.05460	18.3
93.07029	21.3
95.04954	16.8
95.08591	30.4
95.09163	2.7
97.02910	7.2
97.06530	6.0
97.10160	4.2
99.04440	3.5
99.08062	4.1
101.06016	13.4
102.04678	2.1
103.03934	1.5
103.05453	33.0
105.07017	31.3
107.04951	6.6
107.08577	24.3
109.02856	5.7
109.06519	8.4
109.10131	16.8
111.04425	21.6
111.08079	8.6
113.09647	1.8
115.05453	5.9
117.03326	2.7
117.07018	8.7
119.04946	13.1
119.08559	12.1
120.05702	1.8
121.02860	4.5
121.06480	12.6
121.10118	15.9
122.03633	3.3
123.04432	3.2
123.08041	9.7
123.11684	16.4
124.05183	2.0
125.05968	3.5
125.09588	3.5
127.03918	4.5
128.06221	4.1
129.05466	2.1
129.06998	3.8
130.04115	6.3
131.04912	100.0
131.08563	7.9
133.02844	9.2
133.06470	10.6
133.10098	11.5
135.04413	5.0
135.08051	6.1
135.11671	7.9
137.05963	52.0
137.09566	7.8
137.13239	5.5
139.07559	3.4
139.11197	3.9
141.06979	2.3
143.04921	1.8
143.08588	4.2
145.04930	1.6
145.05444	1.5
145.06487	11.1
145.10089	9.7
146.03607	4.1
147.04393	28.4
147.07976	7.3
147.11682	12.1
148.05251	1.7
149.05966	17.6
149.09576	6.0
149.13260	5.3
150.06760	19.5
151.03908	2.9
151.07527	15.8
151.11157	5.1
153.01801	3.3
153.05476	6.3
153.06940	1.7
153.12686	1.7
157.06480	1.8
157.10143	3.3
159.04463	2.4
159.08023	2.1
159.11699	6.3
160.05141	3.1
161.05969	33.1
161.09590	4.0
161.13268	6.5
162.06731	40.0
163.07521	85.3
163.11191	2.1
163.14792	3.5
165.05444	5.8
165.09094	15.4
165.12773	2.8
167.07036	25.3
167.08473	1.9
167.10715	1.6
169.10152	1.5
169.12233	2.6
171.04428	1.6
171.08028	2.0
171.11713	3.7
173.06012	4.5
173.09576	2.3
173.13309	4.1
175.07516	15.8
175.11160	2.4
175.14790	4.5
177.05457	10.3
177.09085	4.8
177.12924	1.5
177.16377	5.2
179.07007	18.9
179.08501	2.4
179.10556	1.9
181.04990	2.1
181.06631	1.7
181.08580	6.4
183.08023	3.2
185.09657	2.3
185.13145	2.1
187.07449	7.2
187.11147	1.6
187.14857	2.4
189.05482	4.5
189.09105	5.0
189.12767	2.2
189.16365	2.3
191.06992	34.2
191.10641	2.1
191.14415	2.2
193.04990	1.7
193.08583	20.1
195.06520	3.1
195.08121	3.3
195.10030	1.4
197.08102	3.0
199.07544	4.1
201.05414	2.2
201.09105	4.7
201.16391	1.6
203.07021	6.8
203.10611	2.2
205.05017	2.5
205.08551	4.3
205.12202	2.3
205.15742	1.7
207.06499	3.2
207.10080	1.5
207.13771	3.2
209.08038	9.0
210.06726	1.7
211.07431	3.5
213.05463	1.6
213.09158	2.4
215.06911	2.2
215.10689	1.8
215.17908	2.5
217.08667	3.7
219.06438	2.3
219.10201	2.7
221.07988	11.5
227.07062	3.0
227.10677	2.2
229.04996	2.0
229.08624	3.9
231.10190	2.3
233.07970	9.4
233.11740	2.4
235.07516	2.2
235.09645	2.8
237.08951	1.5
241.08575	2.1
243.10182	3.9
245.08066	2.2
247.09642	7.1
257.08051	2.6
259.07343	1.6
259.09424	7.7
259.11905	5.5
261.11298	3.4
271.09659	6.5
271.24115	4.1
273.11157	1.9
277.10718	4.7
281.11761	2.1
289.10684	9.5
289.25302	6.0
291.12323	2.2
295.09558	3.4
307.09174	2.1
307.26285	10.0
311.12704	2.4
315.12204	22.3
323.12802	2.4
325.10730	2.2
325.14352	1.9
325.27289	2.0
327.12238	36.9
339.12247	6.0
341.13745	18.5
345.13293	8.3
353.13782	11.9
359.14828	6.1
371.14944	11.6
389.15848	4.3
425.20999	2.5
439.17462	7.7
451.17609	2.5
451.28119	1.6
457.18384	5.1
469.18726	15.3
487.21387	25.7
487.30957	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14256	0.9
55.01859	2.8
55.05497	4.2
55.31140	1.0
57.03413	2.1
59.04994	1.0
64.97177	0.9
65.03941	1.2
65.69555	1.1
67.05484	5.6
69.03420	88.7
69.07051	4.8
71.04974	3.0
71.23391	1.1
71.62196	1.8
72.97525	1.0
73.02922	1.8
75.37834	1.0
77.03911	1.9
77.50849	1.0
79.05476	5.7
81.03403	2.2
81.07044	9.8
83.04919	1.3
83.08602	2.0
85.02899	7.8
85.06493	1.0
89.03905	2.3
91.05475	15.9
93.07024	10.2
95.04957	12.9
95.08593	11.5
95.53279	0.9
97.06506	2.4
99.04426	2.0
101.06024	1.6
102.04686	2.0
103.00814	1.2
103.05450	32.7
105.07020	14.3
107.04936	2.7
107.08559	6.5
109.02883	2.4
109.06508	3.1
109.10175	5.7
111.04422	20.7
115.05445	5.9
117.03342	1.4
117.07011	7.2
119.04931	10.3
119.08562	6.0
119.47167	1.0
120.05714	1.9
121.06486	11.3
121.10105	4.6
122.03613	4.2
123.08038	5.0
123.11668	2.6
125.05906	1.4
125.09623	1.2
127.03885	2.3
128.06210	1.5
129.06956	2.6
130.04099	9.5
131.04907	100.0
131.08513	3.3
132.05673	1.5
133.02846	8.1
133.06479	11.4
133.10118	6.3
135.04398	9.0
135.08014	4.9
135.11688	3.7
137.05960	49.2
137.09563	3.2
137.13242	1.6
139.07507	3.1
139.11169	1.8
143.04903	1.8
143.08557	2.3
144.05630	1.1
145.06442	11.0
145.10094	2.6
146.03598	4.2
147.04395	28.4
147.08008	4.5
147.11627	3.0
149.05963	18.1
149.09567	2.6
149.13303	2.3
150.06746	19.5
151.03879	2.8
151.07518	13.8
153.01729	1.1
153.05450	2.2
157.06522	2.0
157.10120	1.8
159.04396	2.6
159.08026	2.8
159.11678	2.2
161.05956	31.8
161.13258	2.2
162.06737	41.6
162.77618	1.1
163.07523	87.4
165.05434	6.3
165.06732	1.2
165.09062	7.8
165.12704	1.8
167.07013	16.0
169.06461	1.6
171.04410	2.3
171.08069	2.1
173.05983	4.3
173.09624	1.3
175.07509	13.1
177.05464	9.4
177.09082	5.1
177.16411	1.9
177.82680	1.2
178.06317	1.3
179.07031	22.8
179.08530	1.7
181.04991	1.9
181.06494	1.4
181.08586	4.7
182.07271	1.3
183.08104	2.8
185.05939	1.9
185.09628	1.1
187.07507	5.3
189.05463	4.5
189.09088	2.5
191.07010	40.5
191.14313	2.2
193.08572	23.9
195.06487	4.3
195.08061	2.5
198.06789	1.7
199.07497	3.6
201.05435	2.1
201.09073	5.3
203.07007	5.8
203.10709	1.3
205.04878	1.8
205.08578	4.0
207.06453	2.3
207.10078	1.1
207.13785	1.4
209.08064	10.9
211.07579	3.7
213.09082	3.5
215.06993	2.5
215.10580	2.3
217.08530	3.5
219.06642	1.4
219.10097	1.7
221.08015	11.2
223.07484	1.5
223.09508	2.4
225.09007	1.5
227.10663	1.7
228.07748	1.3
229.08539	5.8
231.06383	1.5
231.10176	3.2
233.08034	6.6
235.09650	2.4
239.06895	1.8
241.08533	3.2
243.10150	3.4
245.08009	2.7
245.11916	1.4
247.09703	7.5
255.10161	1.2
257.08060	2.1
259.09601	7.6
261.11227	5.4
267.10202	2.3
271.09634	6.5
271.24136	1.9
277.10675	2.9
287.12341	1.2
289.10715	12.1
289.25183	2.6
291.12433	1.7
295.09653	3.6
297.11298	2.0
307.12033	2.3
307.26254	2.2
315.12262	23.7
321.11227	1.6
323.12479	1.9
327.12259	43.4
335.12781	1.4
339.12317	6.9
341.13812	21.0
345.13403	9.1
351.12149	2.8
353.13809	12.8
357.13071	1.3
359.14905	6.6
369.13412	1.3
371.14774	15.0
389.15909	5.9
439.17282	7.7
451.17410	1.9
457.18686	5.6
469.18570	12.4
487.19644	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	487.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01856	0.8
55.05481	1.2
57.03413	2.1
60.37114	0.5
61.02898	0.6
65.03904	0.6
67.05476	1.4
69.03426	3.5
69.07049	0.8
70.06573	0.6
70.86887	0.5
70.87236	1.6
71.04983	6.5
72.05305	0.7
73.02891	0.9
76.03975	1.5
79.05486	1.2
81.03382	2.4
81.07034	2.3
83.04961	1.4
84.04489	5.1
84.08112	0.8
85.02905	3.4
85.03994	1.3
85.06513	2.3
85.47818	0.6
86.06039	1.0
87.04453	16.6
88.06886	0.5
88.07659	0.6
90.83006	0.6
91.05457	1.9
93.05771	2.4
93.07014	1.0
94.06531	1.0
95.04931	2.2
95.06128	0.5
95.08586	1.0
97.02851	2.2
98.97545	0.8
99.02660	0.8
99.04427	2.4
99.05568	0.9
100.04718	0.8
105.07011	0.9
106.06563	0.7
107.07308	0.8
107.08558	0.8
109.02856	2.0
109.06501	1.0
109.10119	0.9
110.03160	0.6
111.04459	0.8
112.03919	0.9
113.02338	0.7
113.05981	1.1
114.06272	0.7
116.98573	1.1
117.05487	1.5
119.04957	1.0
119.08552	0.7
120.08070	1.6
121.02857	1.4
121.06461	0.7
122.05975	0.9
123.08056	1.0
124.07603	0.9
126.03722	14.5
126.09268	0.6
127.02086	0.5
127.03878	2.0
127.07538	3.8
128.07866	1.3
129.05493	0.6
130.04991	3.7
131.04861	1.1
131.07014	4.7
131.08502	0.8
131.24960	0.5
132.08105	2.9
133.08836	1.3
133.10098	0.8
134.09598	1.3
135.04364	0.6
136.07593	0.6
137.05956	6.7
138.03696	1.1
138.09114	1.1
141.05479	0.8
145.06250	0.9
145.08572	8.9
145.09708	0.9
145.10121	0.6
146.08907	5.3
147.04362	3.7
147.07991	0.8
148.07526	0.8
150.09200	0.8
151.03909	0.6
151.07509	1.3
151.11226	0.6
152.05254	2.2
153.01796	3.8
155.06989	1.6
156.07327	1.0
156.10184	1.1
159.08032	0.7
160.07590	1.5
161.05948	1.5
161.08344	2.2
162.09077	0.6
163.07495	2.0
163.11229	0.8
166.06842	9.5
167.07001	1.6
168.04697	1.2
172.03896	1.0
173.09468	0.6
174.05380	0.6
175.07527	1.5
176.05209	1.8
177.03276	4.2
177.05452	0.9
178.04955	0.6
179.07076	2.5
179.09360	1.9
179.10735	0.8
180.04755	1.5
180.10204	5.8
181.08597	0.5
182.11821	0.7
183.08095	0.5
184.08028	1.1
185.03824	2.0
187.07562	0.6
188.06917	0.6
189.09055	0.7
190.04967	1.9
192.04755	0.6
192.09581	1.0
193.08504	0.7
194.06328	13.9
201.09070	0.7
206.04436	1.5
207.07936	0.8
212.07373	100.0
213.07620	1.2
214.08961	1.0
215.06828	0.6
220.07878	1.0
228.87564	0.6
229.08475	0.8
231.04323	5.1
231.10294	0.6
238.08937	3.4
248.07358	1.4
255.11604	6.9
265.10037	2.3
266.08420	9.2
273.11316	0.7
275.41177	0.6
283.11005	4.4
288.06570	0.9
308.13080	0.8
311.12985	0.7
321.12442	1.1
325.11819	1.9
336.13809	1.1
358.14230	18.2
394.14224	0.8
412.15457	1.0
421.15918	0.6
469.17844	1.0
487.18350	6.1
487.26596	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72949	0.5
53.03941	0.8
55.01865	1.1
55.05257	0.6
55.05502	8.3
55.78841	0.5
56.05011	1.3
57.03414	1.5
57.07059	1.5
58.99572	11.0
61.01122	0.8
65.03905	1.5
67.05495	28.9
68.05029	0.6
69.03422	2.7
69.07058	5.4
69.46401	5.2
70.06550	0.6
71.04967	1.4
71.08627	0.7
72.08136	1.4
74.00636	0.6
76.02217	54.9
76.03988	3.0
79.05482	8.8
80.04989	1.0
81.03400	1.1
81.06567	1.2
81.07044	24.4
82.07369	0.5
83.04955	1.6
83.06104	3.1
83.08600	2.5
84.04494	17.4
84.08123	0.7
85.01121	1.3
85.02888	0.7
85.06506	1.3
86.99020	3.6
87.02677	1.7
88.02208	1.2
91.05459	6.6
93.07027	11.6
93.37959	0.5
95.04965	4.3
95.08592	39.1
96.08963	0.5
97.02871	0.9
97.06527	1.4
98.24741	0.6
99.05569	1.6
101.42912	0.5
103.05451	0.6
105.07000	8.2
107.04938	0.7
107.08578	6.5
108.08126	0.6
109.06488	3.2
109.10139	26.9
110.10457	0.6
111.08056	0.9
112.03932	1.2
113.04203	1.4
116.01665	21.1
117.06982	1.6
119.08570	11.0
121.10138	3.1
123.08062	4.4
123.11651	1.4
127.03898	1.0
129.06535	4.3
130.04987	5.5
130.06810	3.2
130.08618	0.8
131.08536	1.1
133.10127	4.0
134.09642	1.5
135.08083	1.0
135.11656	2.5
137.09573	3.5
139.05768	1.3
141.04733	0.9
142.03191	5.3
142.05051	0.6
143.03377	2.1
143.08549	0.8
144.01125	10.1
145.06065	2.0
145.10081	1.1
147.08005	0.9
147.11649	1.0
149.09573	1.0
149.13161	0.6
151.07527	0.8
151.13632	1.0
151.14803	15.5
156.08345	0.8
157.10066	0.6
159.11624	0.8
161.09637	1.6
161.13237	8.8
162.02177	37.0
165.09079	1.3
167.05241	1.2
170.02652	1.7
173.13345	0.7
179.04831	100.0
179.14291	32.5
180.05122	0.6
187.05370	2.8
203.14328	1.0
211.20200	0.6
215.04846	1.0
216.06918	0.9
233.05882	15.5
233.09537	1.5
236.14687	1.8
237.12997	1.5
245.05920	2.9
247.16435	0.6
249.88045	0.6
254.15726	1.3
290.17487	0.7
291.06366	1.3
308.09045	17.6
339.17328	15.1
340.15781	1.7
357.18356	3.2
393.18323	1.5
411.19485	18.4
412.18982	0.7
468.21655	7.6
486.22604	9.0
486.33176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83305	0.8
54.89002	0.9
55.01875	2.2
55.05506	8.7
56.05034	1.1
57.03401	1.1
57.07058	2.6
57.98792	0.9
58.99580	13.0
67.05495	32.8
69.03423	3.0
69.07052	6.8
69.50941	8.0
71.04990	1.2
76.02216	60.4
76.03980	2.9
79.05476	10.4
81.03423	1.6
81.07046	31.3
82.07394	1.3
83.04970	2.5
83.06092	2.7
83.08604	3.7
84.04488	21.3
85.01115	1.4
86.78452	1.2
86.99044	3.5
87.02650	1.2
88.02205	1.8
91.05462	8.3
93.07034	12.2
95.04961	4.7
95.08595	44.9
96.08936	1.1
97.02898	1.3
97.06526	1.4
99.05567	1.8
104.28616	1.1
105.07012	13.4
106.07372	0.9
107.08575	9.7
108.08905	1.4
109.02879	1.0
109.06510	4.0
109.10139	24.5
110.09657	0.9
110.10497	1.9
113.04224	1.8
113.49320	1.0
116.01664	20.2
117.07033	2.2
119.08567	14.6
120.08857	1.3
121.10122	5.8
123.08042	5.2
123.11718	2.3
129.06633	2.9
130.04977	6.6
130.06863	3.4
131.08560	2.8
133.10059	5.6
134.09627	3.6
134.10510	1.4
135.08022	1.4
135.11653	2.2
137.09615	3.4
139.05742	2.0
142.03159	4.5
142.07767	1.3
143.08589	1.6
144.01122	11.7
145.06125	2.4
145.10094	1.9
146.10468	1.7
147.04300	1.2
147.08009	1.2
149.09627	2.1
149.13283	1.4
151.14786	18.7
157.10094	1.6
159.11665	1.9
161.09544	1.9
161.13223	13.4
162.02179	39.3
162.13690	1.1
170.02713	3.1
171.11688	1.2
173.13268	1.3
174.13562	1.4
175.14780	2.1
178.15791	0.9
179.04831	100.0
179.14291	30.1
179.15810	1.9
180.05055	1.6
185.13303	1.1
187.05316	2.4
187.14796	1.2
191.14253	1.7
202.16702	1.1
203.14235	2.0
214.17935	1.0
215.04759	1.8
216.06880	1.5
233.05862	15.0
233.09467	1.2
236.14607	3.3
237.13016	4.6
245.05939	2.8
254.15718	2.4
256.16385	1.1
286.66461	1.1
290.17456	3.1
291.06464	2.2
306.24899	1.3
308.09021	16.4
313.39728	0.9
339.17322	16.2
340.88559	0.9
357.18317	2.2
393.18329	3.6
411.19434	14.7
468.21497	10.7
486.22263	6.2
487.18750	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30976	0.6
53.03934	0.7
54.93186	0.5
55.05494	0.6
57.03409	2.1
61.84995	0.7
67.05493	4.3
68.19851	0.7
69.03419	5.3
69.07060	1.3
69.60981	5.3
71.04984	42.7
73.02901	2.6
81.03389	4.0
81.07038	1.1
83.04935	1.2
85.02908	4.3
85.06535	9.4
87.04456	0.7
91.05482	1.1
94.06527	0.9
94.18298	0.6
95.04958	8.9
95.08577	0.8
97.02887	4.4
97.06512	1.0
98.20780	1.5
99.04439	22.4
100.03971	1.1
107.04930	0.7
107.08662	0.6
108.08056	0.8
109.02876	4.7
113.05994	7.4
117.05489	9.5
124.07585	0.6
126.03709	0.6
127.03908	5.6
127.07545	22.2
129.09053	0.6
131.07031	12.3
136.07526	0.7
137.05943	1.4
141.05449	7.1
145.04953	2.7
145.08582	100.0
146.08936	2.1
147.04416	1.0
153.01837	2.1
155.07016	18.0
167.06903	0.9
173.08122	5.8
174.03712	1.9
190.04866	0.6
191.09189	14.8
212.07365	4.0
225.07689	0.8
233.62267	0.7
257.10178	1.6
261.09671	0.9
275.11230	1.3
299.11179	0.9
307.12628	1.1
317.12222	5.0
330.62848	0.6
335.13351	7.7
344.87961	0.6
358.14569	0.9
381.99985	0.7
415.15948	0.9
433.16638	1.3
486.21744	1.0
487.21750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.4
56.67164	1.5
57.07064	3.6
64.38919	1.3
67.05495	8.5
69.07063	12.0
71.08617	4.8
79.05479	7.1
81.07049	16.0
83.08606	6.4
84.12721	1.2
87.04426	1.8
87.08104	8.2
91.05479	9.8
93.07035	33.0
95.04962	4.5
95.08591	19.4
95.09149	1.6
96.22923	1.6
97.06548	1.6
97.10154	5.4
105.06335	1.0
105.07014	26.2
107.08580	15.7
109.06502	6.9
109.10143	11.2
112.76409	1.2
117.06946	1.6
119.08562	17.2
121.06511	11.1
121.10129	76.6
122.10548	2.1
123.08053	20.9
123.11711	5.1
125.09624	2.0
125.54478	1.2
129.07068	1.3
131.08549	9.2
133.10097	14.0
135.08026	10.0
135.11690	6.3
136.29105	1.4
137.09615	3.9
143.08597	2.0
144.09305	1.5
145.10103	26.8
147.08057	1.5
147.11671	28.6
149.09615	29.6
149.13274	5.2
149.43758	1.4
151.11206	4.3
157.10107	2.3
158.10863	1.7
159.11678	9.7
161.09618	3.2
161.13246	3.3
163.11179	17.6
163.14825	2.0
165.12695	3.6
171.11763	2.4
173.13228	29.4
173.14629	1.8
175.11147	1.9
175.14769	14.6
177.12836	3.6
185.13373	1.5
187.14809	3.8
189.12738	2.4
189.16391	3.9
191.14362	4.1
193.12253	3.1
201.12849	2.2
205.15930	1.7
213.16434	1.6
215.17921	11.3
217.15800	1.5
219.13777	13.8
233.18977	90.3
234.19380	3.4
237.14838	13.2
361.23706	8.2
399.29083	2.7
425.30768	1.8
449.33813	2.0
467.35431	4.8
485.36331	100.0
486.36560	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	485.3256
Annotation	Fupenzic acid
Peak:m/z	Relative Intensity
53.03940	2.1
55.05500	15.0
57.07054	5.5
59.04975	2.4
65.03968	2.0
67.05496	26.4
69.03400	4.4
69.06776	1.8
69.07064	23.9
70.07368	2.0
70.29680	9.6
71.04987	2.9
79.05476	23.2
81.07042	64.3
83.04961	6.6
83.08608	11.7
85.02894	3.1
85.06522	6.5
91.05467	23.9
93.07032	44.7
95.04939	7.8
95.08594	77.4
97.02846	2.5
97.06510	8.0
97.10155	3.9
99.04440	3.2
99.08076	9.0
104.10705	2.9
105.07011	67.0
107.08575	60.0
109.02817	2.7
109.06506	7.3
109.10136	50.9
111.04424	3.2
111.08077	7.3
111.11713	3.5
113.05999	3.8
117.06987	8.9
119.08563	100.0
121.06513	6.7
121.10126	47.7
123.08038	11.3
123.11678	23.8
125.05955	4.0
125.09615	5.8
127.11161	2.4
129.06999	3.8
130.07751	4.5
131.08545	43.1
133.09081	3.8
133.10107	66.0
135.08020	8.8
135.11670	25.1
137.05960	4.3
137.09599	8.7
137.12242	2.1
137.13168	9.9
139.07544	4.9
139.11150	4.0
141.05421	2.0
142.07765	3.1
143.08527	15.9
145.09030	3.8
145.10110	71.4
147.08009	6.0
147.11678	62.8
149.05904	2.4
149.09616	5.2
149.13228	24.4
151.07512	3.6
151.11258	2.6
153.01837	2.4
153.09048	4.2
153.12733	2.5
155.08531	2.6
156.09259	3.0
157.10094	20.3
158.10924	3.1
159.08000	3.1
159.11671	39.0
161.09573	9.2
161.13239	33.6
163.07455	2.0
163.11119	6.8
163.14815	19.0
165.09146	4.1
165.12698	2.3
167.07004	2.4
167.74324	2.6
169.10060	5.3
170.10925	3.0
171.11674	18.8
172.12495	2.8
173.09587	4.8
173.13237	50.2
174.13850	1.9
175.11180	8.6
175.14804	59.5
177.12762	4.5
177.16364	23.3
179.10725	3.3
179.14319	4.8
181.12239	2.4
183.10150	2.6
183.11655	7.4
184.07323	3.7
185.13223	20.7
187.11174	3.6
187.14798	66.9
189.12750	5.5
189.16336	27.9
191.10706	2.4
191.14278	12.8
191.17891	3.6
193.12253	6.9
193.15828	5.6
195.11639	2.6
197.13245	9.5
199.14786	28.3
201.12724	5.7
201.16356	72.3
201.18253	4.5
203.14282	9.2
203.17911	23.7
205.15906	5.2
205.19324	2.4
207.13661	3.6
209.13255	3.5
211.14764	6.4
213.16331	17.3
215.14294	8.3
215.17902	7.9
217.15881	7.0
219.11784	2.9
219.13803	5.0
219.17383	10.1
221.15335	20.1
223.14729	3.2
225.16362	6.0
227.14299	2.2
227.17892	5.9
229.15874	6.9
229.19496	6.9
231.13733	3.2
231.17474	4.8
233.15320	7.3
235.16902	6.5
239.17946	2.8
241.19539	3.6
245.15375	7.4
247.16878	17.5
249.14621	3.1
255.17325	2.6
259.16846	5.7
261.14795	2.4
261.18460	2.6
261.88281	2.1
263.16223	3.8
265.17935	3.4
267.21033	2.1
273.18591	3.3
279.20883	3.0
287.23547	3.8
305.24808	10.2
353.24496	3.5
357.24280	2.2
367.26318	3.0
375.30389	7.2
377.32056	3.9
393.31400	17.0
395.33206	4.4
397.30685	4.5
403.29974	7.5
405.31320	3.1
411.32553	4.6
421.25876	4.1
421.30960	45.2
423.32416	8.5
425.30243	3.6
431.31287	4.1
439.32367	42.6
441.33725	6.3
449.30905	12.7
467.31705	22.9
485.27017	3.0
485.32275	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3254
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.01280	2.3
55.05500	12.7
57.07061	3.9
67.05492	20.0
69.03420	4.7
69.07061	20.2
69.39124	22.3
71.01340	2.9
71.04985	2.7
79.05499	13.0
81.03371	1.9
81.06577	2.9
81.07046	44.7
82.07427	1.9
83.05000	2.1
83.08594	9.0
85.02886	3.7
85.06525	3.9
89.02371	5.6
91.05467	13.4
93.07026	28.3
95.04940	6.5
95.08593	59.8
97.06474	5.1
97.10155	5.6
105.07017	29.7
107.08578	47.1
109.06494	6.0
109.09438	3.7
109.10139	42.3
110.10522	2.1
111.08051	3.5
113.05985	4.9
114.18332	2.6
115.86814	2.6
117.07001	8.4
119.08562	100.0
121.06491	3.6
121.10130	46.6
123.08049	9.4
123.11683	27.4
125.06007	2.7
125.09585	5.9
129.06989	3.1
131.08545	25.9
133.10112	37.5
135.07996	4.0
135.11693	18.6
137.05957	3.4
137.09583	9.0
137.13190	10.7
139.07507	4.7
139.11183	3.9
142.07730	3.5
143.08484	13.3
144.09337	3.1
145.06523	2.6
145.10097	56.5
147.07983	3.3
147.11678	19.7
149.09595	2.4
149.13261	15.3
151.11142	5.4
151.14807	7.3
155.08633	2.2
156.09319	3.7
157.10101	15.7
159.11670	42.8
161.09595	5.7
161.13226	16.5
163.07498	7.3
163.11140	4.5
163.14789	9.7
165.09145	5.6
165.16376	9.0
167.14180	2.7
169.10052	7.1
170.10869	3.4
171.11658	13.6
172.12363	3.0
173.09608	4.5
173.13251	38.8
175.11116	3.6
175.14781	22.2
177.16333	11.1
179.10646	3.6
179.14319	3.4
183.10124	15.1
183.11667	9.3
185.13237	24.5
187.14780	42.9
189.12685	4.8
189.16367	19.6
191.14334	5.2
191.17967	3.7
193.12265	2.7
197.13280	5.4
199.11125	3.1
199.14803	32.5
201.12830	2.6
201.16353	59.7
203.14328	5.7
203.17899	12.9
205.12215	6.8
205.15837	5.1
211.14775	6.1
213.16360	18.9
215.14229	5.2
215.17897	6.9
217.15810	6.3
219.13733	6.1
219.17459	5.3
221.15417	3.0
223.14748	3.9
225.16341	3.1
227.17899	4.7
229.15771	5.6
229.19510	3.7
231.13890	3.8
231.17342	5.6
233.15332	5.8
235.16803	3.4
237.14719	5.0
239.16292	5.8
245.15309	8.2
247.16777	12.4
257.15335	2.2
259.16968	16.1
269.22681	2.2
273.18542	3.7
281.22534	3.9
305.24796	4.6
307.24112	4.8
309.25665	9.1
311.23590	2.2
353.24698	9.6
355.26294	8.1
397.30975	27.5
403.29810	6.9
405.31158	4.1
407.29282	5.9
421.30908	19.8
425.30267	15.4
431.29309	2.4
439.32043	30.0
441.33496	5.0
449.30496	31.8
467.26846	2.1
467.31595	25.7
485.32776	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	485.3255
Annotation	Ganolucidic acid E
Peak:m/z	Relative Intensity
51.42012	2.4
55.05505	13.7
57.03413	3.3
57.07057	4.6
65.03941	3.4
67.05492	23.0
69.03412	3.4
69.07054	22.4
69.40053	12.1
69.40481	14.3
71.04974	4.6
79.05478	20.3
81.03439	2.9
81.07047	51.3
83.04962	4.0
83.08591	11.6
85.06506	3.5
91.05470	29.3
93.07031	49.3
95.04948	13.1
95.08595	67.1
97.06500	8.4
97.10167	4.5
105.07015	72.6
105.17109	2.8
107.07857	3.7
107.08579	69.6
109.06501	22.9
109.10139	37.9
111.04415	8.9
111.08063	9.7
113.05989	3.2
117.06994	11.3
119.08559	100.0
120.94860	2.2
121.06451	13.0
121.10136	49.3
123.08028	13.3
123.11700	16.0
125.05946	2.6
125.09635	3.4
128.06218	3.5
129.07007	10.7
130.07788	3.1
131.08556	59.2
133.06488	3.8
133.10109	68.9
135.08037	10.2
135.11684	28.0
137.09619	5.6
137.13222	4.6
142.07762	7.9
143.08549	24.5
144.09314	6.4
145.06441	5.1
145.10097	90.0
147.08005	11.1
147.11659	49.3
149.09587	10.3
149.13240	17.0
151.07500	5.3
155.08517	7.5
156.09296	9.0
157.10081	32.4
159.08061	7.2
159.11661	45.9
160.12393	3.1
161.09595	17.0
161.13223	31.0
163.11177	27.7
163.14799	25.0
165.09138	4.6
165.12782	3.4
169.10069	11.6
170.10907	5.0
171.11667	23.6
173.09581	7.7
173.13242	58.2
175.11191	13.3
175.14798	85.4
176.11929	3.3
177.09161	2.9
177.12746	19.7
177.16338	16.2
179.10666	4.8
181.10056	4.9
182.10898	4.7
183.11662	14.0
185.13242	24.7
187.11177	7.1
187.14796	76.1
189.12708	16.3
189.16367	46.7
191.10632	3.1
191.14275	93.5
191.17926	16.3
193.12210	5.7
193.15820	3.7
197.13254	14.3
199.11177	2.9
199.14816	29.2
201.12750	15.7
201.16347	78.0
203.14268	32.0
203.17905	42.7
205.15842	11.2
207.11852	3.0
207.13712	4.7
207.17543	3.2
209.13298	5.5
211.14848	5.5
213.12686	6.4
213.16330	11.9
215.14262	11.1
215.17894	7.6
217.15910	14.2
217.19402	3.2
219.13702	18.5
219.17415	8.7
221.15320	13.2
223.14760	3.9
225.16377	5.3
227.14259	3.6
227.17886	11.1
229.15848	10.1
229.19316	5.3
231.17342	5.2
233.15341	8.8
235.16811	14.4
239.18001	5.6
241.19530	4.3
245.15343	11.4
245.19005	4.8
247.16885	23.3
249.14577	14.6
253.19572	3.0
255.17361	3.2
255.20970	3.2
273.18542	4.2
275.16058	3.3
375.30566	4.1
377.31976	4.1
393.31482	7.6
403.29959	27.9
405.31500	5.7
411.28705	10.5
421.30960	54.8
423.28696	8.9
431.29425	5.2
439.32129	50.7
441.29135	22.4
449.30405	26.6
467.31543	44.6
485.32864	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3253
Annotation	Fupenzic acid
Peak:m/z	Relative Intensity
55.05495	11.9
57.03391	3.2
67.05495	28.1
68.05792	3.3
69.03418	3.3
69.07059	19.4
70.54124	2.7
70.82173	9.5
71.04955	7.0
79.05474	24.0
81.03398	6.4
81.07041	48.4
83.04946	6.2
83.08600	8.6
85.06535	3.9
91.05462	27.3
93.07030	46.3
95.04955	9.0
95.08590	61.8
97.06520	7.4
97.10162	3.2
99.08065	11.8
103.05430	3.2
105.07013	61.9
107.08582	73.6
109.06489	8.6
109.10140	32.7
109.45274	2.5
111.04429	3.3
111.08089	5.6
115.05414	3.3
116.64847	2.6
117.06987	8.7
119.08572	100.0
121.06480	14.3
121.10129	46.6
123.08059	14.4
123.11667	13.2
128.06244	4.2
129.07010	6.7
129.37987	3.2
131.08551	50.5
132.00266	7.0
133.10107	63.0
135.07076	2.8
135.08052	12.3
135.11667	24.6
137.09575	3.9
137.13223	4.9
139.07573	3.3
142.07727	3.5
143.08551	13.6
145.10100	66.5
147.08012	6.8
147.11667	59.2
149.09557	8.0
149.13281	15.6
151.07428	2.8
153.09117	4.1
155.08481	5.8
156.09305	3.2
157.10120	25.2
157.75070	2.8
159.08022	7.4
159.11682	39.8
161.09598	10.4
161.13232	22.9
163.11140	9.4
163.14842	20.7
165.12643	3.9
169.10092	6.0
171.11652	17.8
173.09607	8.9
173.13220	46.1
175.11165	10.9
175.14816	39.6
177.00905	3.3
177.12697	15.2
177.16380	13.2
179.00452	3.7
179.14293	4.5
181.10074	3.0
181.12190	3.2
183.11673	7.9
185.13156	22.9
187.14798	71.2
189.12711	8.9
189.16356	29.1
191.10674	4.1
191.14313	27.6
191.17889	4.1
193.12119	4.8
194.00055	6.0
195.01877	4.4
195.13820	4.1
195.99712	4.4
197.01709	2.9
197.13176	9.9
199.11220	2.8
199.14809	15.3
201.12727	6.5
201.16359	75.8
203.14322	14.1
203.17958	18.8
205.12321	3.0
205.15866	7.9
211.14742	6.9
213.16338	14.7
215.14258	8.9
215.17915	7.6
217.15866	10.0
219.13789	24.0
219.17455	8.9
221.13362	3.3
221.15320	14.3
225.16347	4.6
227.17856	7.5
229.15915	6.7
229.19409	4.1
231.13756	6.4
233.15321	9.1
235.16800	5.0
237.14723	6.9
241.19377	4.5
245.15392	4.2
247.16934	14.9
255.20982	4.8
256.14374	2.9
267.21021	4.1
269.22849	3.3
271.54041	2.9
285.91904	15.5
286.92294	4.5
287.91666	6.2
293.52979	3.2
297.22107	3.2
355.26245	3.8
367.26300	4.5
393.31683	16.6
395.33170	3.7
403.29828	10.8
421.25882	3.9
421.31006	49.2
423.32800	5.0
431.29941	3.5
439.31937	42.0
449.30441	11.5
453.93442	10.0
454.92944	12.6
467.31650	26.2
485.33026	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	485.3256
Annotation	Poricoic acid B
Peak:m/z	Relative Intensity
53.03940	3.9
55.05502	10.3
57.07055	5.4
67.05499	22.8
68.42697	1.9
69.03417	4.6
69.07051	23.0
69.42572	18.7
71.01332	2.6
71.04984	4.6
79.05482	15.4
81.03408	4.5
81.07046	46.2
83.04978	5.1
83.08607	10.3
85.02882	4.4
85.06528	3.9
85.58227	2.4
89.02373	3.2
91.05453	15.8
93.07028	35.6
95.04941	4.9
95.08586	61.6
95.92024	1.8
97.02875	2.8
97.06542	4.8
97.10136	5.6
105.07015	32.6
107.01442	1.7
107.08578	40.4
109.06520	6.4
109.10139	42.7
111.08083	2.9
111.11716	4.0
113.06004	2.9
117.07000	8.1
119.08561	100.0
120.08938	1.9
121.06523	4.5
121.10126	44.4
122.10500	1.9
123.08064	8.9
123.11692	26.1
125.09611	4.8
127.03855	3.3
128.80312	1.8
129.06992	5.5
130.07755	2.7
131.08527	24.7
133.06488	2.6
133.10112	36.5
135.08041	4.8
135.11667	20.6
137.05986	2.3
137.09590	8.5
137.13200	10.0
139.07573	4.3
141.12753	2.6
142.30240	1.9
143.08549	10.8
145.09023	3.8
145.10098	53.2
147.08014	4.0
147.11658	24.8
149.09624	6.4
149.13263	16.6
151.07542	2.8
151.11174	3.6
151.14793	5.1
155.08487	4.3
156.09270	2.3
157.10095	19.7
158.10851	3.3
159.07985	2.7
159.11667	41.0
161.09604	5.4
161.13225	22.3
163.07504	6.6
163.11186	5.9
163.14781	14.2
165.09081	5.6
165.12723	4.2
165.16338	8.9
169.10075	4.4
170.10847	3.6
171.11632	15.9
172.12465	2.1
173.09573	3.0
173.13243	44.9
175.11192	4.1
175.14796	19.1
177.12691	3.6
177.16367	13.3
179.10674	2.3
179.14369	3.1
183.10115	11.2
183.11684	8.3
184.12462	2.5
185.13206	22.8
187.14801	42.0
189.12799	2.9
189.16353	21.9
191.14293	6.2
191.17957	2.7
193.12247	3.7
193.15782	3.6
195.11702	2.5
195.13686	2.3
197.13226	5.1
199.14778	26.6
201.12909	2.5
201.16345	38.0
203.14302	7.8
203.17966	8.0
205.12180	4.8
205.15891	3.5
209.13268	3.6
209.15260	2.9
211.14957	4.0
213.12776	2.8
213.16373	21.1
215.14255	4.9
215.17868	10.2
215.97960	1.8
217.15895	8.3
219.13803	6.8
221.15263	3.4
223.16838	2.4
225.16368	3.0
227.17937	7.3
229.15759	5.4
229.19458	6.0
231.13847	4.1
231.17444	5.3
233.15335	7.2
235.16980	3.8
237.14754	3.1
239.16209	2.8
241.19646	2.2
245.15384	10.0
247.16916	10.1
249.22015	2.4
253.19452	2.8
259.16837	14.6
271.16855	3.5
285.18335	2.7
287.23688	3.1
305.24615	4.0
307.24057	5.3
309.25757	7.0
325.21594	3.1
327.23206	2.2
353.24814	9.2
355.26291	6.9
379.30075	4.0
397.30966	24.3
403.29984	7.8
405.31552	3.8
407.29312	7.8
421.30969	19.4
423.32336	4.4
425.30389	14.9
431.29886	4.0
439.31985	25.3
441.33502	5.2
449.30389	33.8
450.30341	2.5
467.31195	22.9
485.32227	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3255
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05495	17.4
57.03408	4.0
57.07059	8.8
58.52405	4.1
65.03933	6.7
67.05494	30.0
69.03413	6.2
69.07056	33.2
71.04993	5.2
71.62250	7.1
79.05488	20.7
81.03394	5.4
81.07049	66.4
83.04958	12.9
83.08598	8.9
85.02869	6.0
85.06521	8.0
85.47180	4.4
91.05457	39.0
93.07030	64.5
95.04948	10.6
95.08578	75.5
97.06515	13.7
97.10156	4.9
99.04410	4.9
105.07009	78.3
107.04945	5.4
107.08575	88.0
109.06516	10.8
109.10136	46.6
111.08080	10.4
117.07006	14.7
119.08564	96.6
121.06504	9.5
121.10111	59.9
123.08037	15.8
123.11683	20.5
125.09613	9.4
129.06970	9.1
131.08545	54.9
133.10109	66.4
135.08025	6.7
135.11678	27.3
137.05923	5.4
137.09575	9.3
137.13216	7.9
139.90878	5.0
142.07758	10.9
143.08554	36.2
145.10089	100.0
147.08058	5.5
147.11664	42.6
149.09602	12.5
149.13208	37.0
151.07503	9.3
151.11198	7.0
153.09091	5.0
155.08533	14.2
156.09277	10.1
157.10109	48.8
158.10791	5.0
159.08047	4.9
159.11653	68.8
161.09564	14.5
161.13225	40.7
163.07542	6.0
163.11151	10.5
163.14803	94.3
165.09097	5.4
165.12802	4.4
167.08546	5.9
169.10054	26.5
170.10847	8.0
171.11690	39.6
173.09584	9.6
173.13229	63.5
175.11188	9.7
175.14816	59.2
177.12651	7.7
177.16348	17.5
179.14227	5.6
181.10080	6.3
181.12212	5.7
182.10872	8.9
183.11659	24.8
185.13246	39.6
187.11156	14.1
187.14777	55.0
189.12727	12.4
189.16393	30.6
191.14285	29.9
191.18025	6.4
195.11702	12.1
197.13251	34.6
199.11203	7.5
199.14813	38.7
201.12704	13.2
201.16371	55.7
202.16750	5.4
203.14244	26.4
203.17905	9.7
208.75360	4.6
209.13263	15.9
211.14775	23.8
213.12700	7.0
213.16386	22.1
215.14291	14.2
215.17886	9.9
217.12143	5.3
217.15910	8.0
219.13710	8.6
219.17308	6.3
221.13393	5.7
221.15358	17.5
223.14897	9.8
225.16403	10.6
227.14391	8.2
227.17838	9.5
229.15784	12.7
231.17484	5.6
233.15318	9.4
235.14801	8.5
237.14772	13.0
237.16719	6.9
238.25012	4.4
239.18016	8.1
241.15733	6.7
243.17365	6.6
245.15504	10.5
245.29022	4.4
247.16998	16.3
255.20950	4.9
263.16339	9.7
273.18555	10.9
283.20480	4.6
291.19537	13.2
317.22360	4.8
353.24503	5.7
373.28815	7.0
385.28821	12.7
391.29803	7.7
403.29916	40.6
405.31607	6.9
419.29263	20.5
421.25870	5.6
421.30942	61.0
423.31934	5.7
431.29501	23.4
437.30252	12.9
439.32025	82.5
441.33246	5.5
449.30554	69.9
467.31631	84.5
485.32990	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3254
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
51.94888	1.9
53.03949	2.7
55.05497	14.6
57.07061	5.1
63.33337	1.9
67.05497	22.4
68.52706	1.8
69.03411	2.4
69.06705	2.9
69.07050	25.1
69.57127	12.9
69.57540	4.7
69.99419	2.2
71.04989	5.0
71.08630	2.3
79.05481	16.7
81.03445	3.0
81.06580	3.5
81.07046	59.6
83.04980	2.8
83.08617	11.4
85.06532	4.9
85.51446	2.0
91.05458	23.2
93.07028	40.2
95.04944	5.4
95.08594	80.0
97.06538	4.8
97.10159	5.4
98.20747	3.1
99.04453	2.0
99.08043	3.0
105.04523	2.1
105.07011	58.9
107.04906	2.4
107.08582	66.9
109.06475	4.5
109.09435	3.9
109.10134	41.5
111.08062	3.6
113.05946	2.9
114.69431	2.2
117.06998	9.3
119.08561	100.0
121.06474	6.7
121.10124	51.7
123.08035	8.6
123.11672	17.5
125.09599	3.4
128.06206	2.0
129.06979	7.5
130.98422	1.9
131.08534	41.1
133.10114	66.3
135.07999	6.5
135.11681	24.8
137.06007	3.0
137.09569	6.9
137.13269	3.9
142.07793	2.6
143.08534	13.0
144.09291	2.2
145.10098	68.2
147.08046	4.9
147.11667	48.8
149.09546	4.8
149.13271	20.0
151.11099	2.6
153.09045	5.0
155.08496	3.7
156.09377	2.7
157.10141	17.5
158.10880	4.1
159.07933	2.7
159.11671	34.4
161.09596	10.8
161.13234	31.1
163.07533	2.5
163.11116	6.8
163.14792	23.3
165.09135	4.3
165.16177	2.3
167.10648	3.4
169.10031	5.8
170.10867	3.6
171.11620	11.2
173.09616	4.1
173.13237	43.8
175.11157	6.8
175.14798	93.9
177.09090	3.7
177.12752	4.5
177.16359	27.1
179.10764	3.5
179.14233	3.9
181.12190	2.4
183.11685	7.4
185.13210	22.6
187.14783	77.4
189.12703	6.9
189.16356	44.9
191.14246	16.6
191.17937	5.6
193.12207	5.6
194.44366	2.0
194.46262	2.5
195.11690	2.5
197.13202	7.5
199.14775	20.8
201.12758	5.5
201.16353	63.0
203.14342	12.0
203.15999	3.1
203.17920	44.7
205.15871	11.1
207.13655	3.2
211.14757	5.5
213.16368	23.1
215.14334	4.3
215.17865	13.7
217.15826	8.3
219.13733	9.3
219.17406	7.5
221.15358	12.5
225.16399	3.2
227.17929	4.7
229.15791	4.8
229.19473	7.7
231.13808	4.0
231.17361	3.4
233.15341	9.4
235.16896	8.7
237.14697	3.7
239.17984	4.1
241.19510	3.6
243.17525	2.6
245.15298	7.2
247.16861	20.9
249.14859	7.6
249.18472	6.9
253.19397	3.9
255.20978	3.8
257.18927	2.1
259.16837	10.3
261.18442	9.2
267.21030	5.8
269.22644	2.9
273.18488	3.0
305.24561	3.6
309.25714	3.7
333.25726	2.6
339.23203	2.8
355.26312	6.3
375.30399	7.6
377.31879	3.4
393.31464	31.2
395.33017	6.5
403.29834	8.7
413.30460	3.6
421.30948	54.4
422.30637	2.4
423.32462	7.5
431.30902	2.6
439.32047	55.9
440.32010	2.2
441.33813	5.0
449.30695	10.8
467.31686	27.0
485.33029	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01864	0.9
55.05487	1.0
57.14261	0.6
67.05481	3.2
69.03408	2.0
69.07059	6.1
69.47828	1.4
69.48244	4.2
71.04981	37.1
79.05481	14.6
81.03401	1.9
82.90264	0.6
85.02879	2.8
85.06533	5.1
89.64162	0.6
91.33337	0.5
95.04945	2.8
95.25713	0.6
97.02895	2.1
97.06519	7.8
99.04461	0.7
104.13049	0.6
109.02872	2.7
113.05993	5.6
115.07549	7.7
125.91517	0.7
127.03907	5.0
127.07533	16.4
127.57693	0.7
128.07941	0.7
131.06140	1.0
131.07028	12.1
133.08591	11.3
145.08580	100.0
146.08899	1.4
151.09644	18.7
159.07974	0.8
173.08124	3.7
191.09117	15.5
232.97278	0.6
299.11261	1.5
317.12195	4.2
319.13940	1.4
335.13339	7.4
375.95255	0.8
416.26605	0.7
431.19235	0.8
449.20120	1.2
467.21039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01850	0.6
55.05485	0.4
56.12659	0.4
56.96524	0.3
57.03429	41.5
58.03767	0.5
59.05000	0.6
67.05486	0.7
69.03420	3.5
69.07048	0.5
69.44476	3.4
71.04978	0.9
71.16567	0.4
79.01838	0.7
81.03410	4.1
81.07030	0.6
82.50555	0.4
83.04977	1.0
85.02895	4.8
85.06507	0.5
89.06020	1.7
91.27311	0.4
93.07009	0.6
95.04938	0.7
95.08610	0.5
97.02876	4.7
99.04436	8.4
109.02855	3.5
111.04475	0.7
113.05993	1.2
115.03911	0.4
117.05476	15.6
121.06511	0.4
125.02329	0.9
127.03916	5.9
127.04911	0.7
129.05466	0.5
131.07024	100.0
132.07323	0.7
137.05937	0.6
139.03899	0.7
141.05460	1.7
143.03377	1.3
145.04913	1.8
153.01811	19.9
153.02812	0.7
154.02071	0.5
159.06534	4.6
163.03915	0.7
167.07056	0.6
171.02888	2.3
177.07567	12.5
182.04233	0.4
187.05968	0.5
207.07602	1.3
230.76764	0.4
243.08635	0.9
254.57620	0.4
285.09747	1.5
297.06067	1.1
303.10663	2.8
305.11234	0.6
305.14566	0.6
315.07178	0.5
321.11908	3.3
323.12360	1.8
357.31534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
55.01861	1.6
55.05499	1.4
57.03432	2.6
59.04980	0.8
61.02905	0.4
62.33405	0.4
68.10822	0.4
69.03082	0.5
69.03424	9.0
69.07069	0.6
70.91031	0.9
71.01348	0.6
71.04980	7.3
73.02887	1.4
79.01840	0.4
81.03407	23.3
81.07027	1.5
83.04967	4.5
85.02895	3.4
85.06514	0.5
91.05451	0.7
93.07019	1.2
95.08601	1.0
97.02898	1.1
97.06491	0.9
99.03822	0.8
99.04437	10.2
103.03902	2.0
105.06992	1.0
107.08579	0.9
109.02865	8.8
109.10133	0.6
109.64008	0.5
113.05960	0.7
117.05486	2.8
119.08539	0.7
127.03915	4.1
127.07521	1.0
131.07025	2.2
133.06512	0.5
133.07610	1.8
133.10095	0.6
135.09155	0.5
136.07637	0.6
137.05931	0.7
139.03824	0.5
143.03334	0.9
145.08563	3.5
149.09613	0.5
153.01814	8.6
153.12712	2.5
160.07515	0.6
161.07059	6.0
163.08653	7.3
164.07100	0.8
171.02846	1.0
178.07350	0.6
179.08101	1.1
184.07343	1.1
189.06572	5.2
191.08101	10.8
206.06831	0.9
207.07626	100.0
208.07954	1.0
215.08308	0.7
219.07495	0.8
220.08311	0.9
221.09175	0.5
229.09669	1.1
243.07675	0.9
244.08276	0.6
247.10770	1.2
249.08751	0.9
259.10696	1.0
287.10239	2.4
305.11182	7.0
305.13889	0.5
315.06909	0.9
322.05237	0.5
323.12329	34.0
324.12772	0.9
341.13409	39.7
342.13773	1.0
347.12308	7.9
365.13403	8.2
387.15469	2.6
405.16537	5.9
413.13400	5.3
423.17581	2.0
431.14429	13.3
432.14404	0.6
449.15460	16.5
450.15402	0.5
467.16565	15.2
485.18451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1285
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
50.01600	0.2
51.02375	0.6
52.69237	0.3
53.03922	1.2
57.03428	2.0
61.02910	0.3
61.95210	0.3
67.05484	0.4
69.03074	0.3
69.03419	3.4
69.07054	0.3
71.04977	0.6
71.10201	0.7
73.02905	0.3
79.01833	3.0
81.03404	7.8
81.07053	0.3
83.04964	0.4
84.08132	0.3
85.02895	4.2
91.05470	0.3
95.04932	0.5
97.02876	6.2
99.04435	1.4
103.03931	1.2
107.01315	1.7
107.04895	0.7
107.08579	0.2
109.02863	4.8
111.04428	0.6
114.65790	0.2
117.05468	0.6
123.04457	0.4
124.07565	0.3
125.02338	3.4
127.03905	7.4
127.92397	0.3
131.07037	4.0
135.04353	0.3
136.07527	0.5
137.06047	0.3
139.03897	1.2
141.05400	0.3
143.03375	5.6
145.04970	1.4
145.06473	0.4
149.05962	0.3
153.01808	100.0
154.02158	1.1
159.06511	0.3
163.03903	0.5
167.03276	0.3
170.05695	0.4
171.02867	12.0
171.06494	1.0
177.07530	0.3
181.04993	0.6
183.06438	0.6
195.02887	0.7
195.06503	0.5
197.61772	0.3
205.04993	0.4
213.03920	0.9
213.07390	0.6
233.08070	0.7
237.03847	0.8
237.07652	0.6
255.04945	2.4
261.07495	3.5
279.08527	1.2
297.06012	8.6
306.13370	0.3
315.07022	5.3
323.12582	0.3
323.15933	0.3
354.11972	0.4
465.73584	0.3
485.16315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65024	0.7
52.93669	0.5
54.21091	0.6
64.18784	0.6
69.32664	2.8
69.33084	4.3
73.95596	0.8
81.16556	0.7
84.50743	0.6
85.54997	0.8
93.37310	0.6
96.06641	0.8
97.82423	0.7
98.97395	1.4
106.71788	0.7
116.98389	2.8
134.99435	2.0
149.08466	0.7
177.00797	1.1
182.99828	0.8
192.98567	0.8
219.01784	1.5
222.97710	1.1
232.96571	1.2
234.96332	1.5
234.99915	6.0
235.99873	1.0
236.99478	1.7
240.98798	1.7
250.97632	2.2
252.97472	2.4
253.00908	1.4
258.96909	1.1
258.99945	20.8
259.99948	2.8
260.99734	4.8
261.02917	3.0
261.99493	0.9
264.98911	3.2
274.97678	4.2
275.97632	1.5
276.97510	9.0
277.00925	31.8
278.01105	3.3
279.00812	5.6
282.99936	54.2
284.00006	8.5
284.99756	9.5
285.99704	1.0
292.98779	1.9
293.98862	0.9
294.98672	3.5
298.97607	4.6
299.97919	2.0
300.97629	8.3
301.00974	100.0
302.01028	12.9
303.00790	21.0
304.00989	2.6
305.00552	1.2
316.95557	1.0
316.98779	10.4
317.98810	4.2
318.98584	15.9
319.02097	7.0
319.98901	1.7
324.02612	4.0
326.02396	1.5
336.99649	0.9
342.98792	0.9
359.00110	2.5
360.00140	1.6
360.99966	6.1
364.99045	1.6
383.00735	0.9
401.01651	4.2
402.01401	2.4
403.00925	5.3
404.01016	3.6
406.99991	5.6
418.98901	4.2
419.98447	1.2
425.01193	29.1
426.01340	3.2
427.01099	5.2
428.01263	0.9
443.02441	98.5
444.02618	9.9
445.02039	19.4
446.01825	3.8
447.01819	1.0
460.99561	22.0
461.99976	1.4
464.50961	0.7
466.03714	8.2
467.03226	3.2
468.04114	1.1
484.01761	2.8
485.01019	20.1
486.01376	2.3
503.03421	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	484.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.0
57.07068	28.8
59.04993	1.2
64.93253	0.7
67.05499	3.1
69.07059	3.6
69.58729	2.0
69.59153	4.0
71.08624	25.8
73.06543	7.5
79.05483	1.3
81.07043	3.6
83.08604	4.3
84.20567	0.7
85.10166	27.6
87.04462	3.6
89.06019	100.0
91.05491	1.6
93.07028	2.5
95.08592	3.1
97.06532	0.8
97.10141	1.7
98.20823	1.3
99.11721	4.0
105.07022	2.8
107.07075	3.6
107.08588	3.2
109.10143	3.2
117.09115	4.1
119.08575	2.3
121.10133	3.1
129.07045	0.9
130.08620	4.7
131.07008	0.9
131.08562	1.0
133.08582	52.5
133.10190	2.4
135.10223	0.9
135.11710	1.6
141.16342	5.1
145.10129	2.7
147.11707	2.1
149.09708	1.0
149.13194	0.7
152.85043	0.8
157.10147	1.5
159.11751	1.2
160.12111	0.8
161.09637	1.1
161.11755	1.0
161.13188	1.2
171.11604	1.0
175.14824	1.9
177.11203	19.0
177.12659	1.5
185.13234	0.8
185.19025	6.9
187.14839	1.0
189.16374	0.8
192.33643	0.7
195.12184	1.2
203.14326	0.9
217.15846	0.7
221.13800	4.5
226.21660	2.7
229.21623	12.7
233.15479	1.2
234.15698	1.0
239.14922	2.6
247.16820	0.9
273.24216	10.6
283.17551	3.2
287.04337	0.8
312.26212	2.2
327.20096	11.8
379.30536	2.2
423.33102	1.7
438.30957	1.0
449.29788	0.8
466.34293	1.0
467.35840	29.2
468.36185	1.2
484.38339	2.5
485.32587	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	484.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01864	3.1
55.05497	2.2
57.03434	7.6
57.07061	3.1
59.04982	1.3
61.02919	4.6
64.70288	0.8
65.03917	0.9
67.05491	7.1
69.03423	10.5
69.07060	4.4
69.56509	1.4
69.56919	5.4
71.01332	0.9
71.04977	5.8
72.01451	1.1
73.02908	21.1
79.05473	6.2
81.03405	3.9
81.07047	100.0
82.07365	1.7
83.04948	1.1
84.07978	0.8
85.02893	34.7
85.06535	2.9
86.09708	1.0
87.04458	2.0
91.03934	1.7
93.07037	3.5
95.04936	1.8
95.08598	37.3
95.30224	0.9
97.02885	22.4
99.04443	2.8
99.08081	1.2
103.03943	1.7
107.08578	1.4
109.02876	4.4
109.10150	3.3
111.11690	1.2
114.60324	0.9
115.03904	9.3
121.10162	1.3
123.11688	1.1
127.03909	13.0
127.07516	1.8
131.04932	1.4
131.07094	1.2
133.04955	17.8
135.11700	1.8
137.05998	4.2
137.13237	62.8
138.13635	1.6
139.11201	1.1
145.04935	16.7
145.08569	9.2
149.09601	1.2
151.03874	1.7
153.01840	4.4
153.12720	2.9
154.13087	1.6
155.06975	1.0
155.14294	3.8
163.06021	8.9
163.07436	1.4
167.06973	1.1
171.11609	1.2
173.11716	1.8
173.15341	1.2
184.07323	2.0
190.10799	0.8
191.09129	1.2
193.05016	0.8
197.18187	0.8
205.68379	1.0
217.07100	1.1
223.06001	3.3
236.18304	1.1
241.07039	3.4
259.08133	10.3
277.09207	2.2
295.10184	13.9
303.04926	1.1
317.19647	1.6
487.37216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22425	0.3
55.01864	3.3
55.04563	0.4
55.05498	1.0
57.03430	6.1
57.07062	0.5
59.04988	1.6
61.02912	2.5
67.05490	0.4
69.03072	0.6
69.03421	9.0
69.07059	3.3
69.65466	2.4
71.01342	1.2
71.04966	0.5
71.08620	45.7
72.08946	0.4
73.02908	12.6
76.26293	0.3
76.95482	0.3
81.02959	0.4
81.03365	1.7
81.07026	0.9
84.86212	0.3
85.02893	18.5
86.09695	1.5
87.04457	1.3
89.20783	0.4
91.03934	0.6
97.02879	12.4
99.04433	0.7
99.08078	100.0
100.08405	0.8
103.03910	1.0
104.10715	0.8
105.07001	0.6
107.08555	0.4
109.02858	1.5
111.11777	0.4
115.03902	5.4
124.99974	1.0
127.03896	5.0
128.04149	0.3
129.12741	11.3
129.13727	0.6
133.04951	7.2
145.04942	5.8
153.01804	0.9
155.14294	2.7
163.05980	2.2
173.15350	81.7
174.15668	1.1
177.37546	0.3
184.07300	5.4
193.05009	0.4
193.12215	0.4
210.79196	0.4
217.07036	0.6
223.05894	1.0
223.62944	0.4
230.10249	0.4
241.07037	1.3
259.07999	1.7
265.80066	0.4
484.26117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79033	1.9
53.03930	3.6
55.05504	15.0
57.03410	2.3
57.07064	7.1
57.43609	1.6
59.04988	3.0
60.08139	2.7
65.03934	2.4
65.59644	1.5
65.72715	1.6
67.05497	27.7
68.60568	1.6
69.03406	9.3
69.07064	25.6
69.84119	7.9
69.84538	3.2
71.04978	4.9
72.35006	1.5
74.36861	1.7
78.59122	1.5
79.05486	20.7
81.03424	5.2
81.06568	3.0
81.07050	57.3
83.04974	5.9
83.08614	6.7
85.02882	7.5
85.06541	6.2
86.09701	9.9
91.05466	27.3
93.07035	51.6
95.04967	9.5
95.08593	65.1
97.02853	3.1
97.06524	6.2
97.10165	4.8
97.92679	2.1
99.04472	1.8
99.08041	3.6
103.05462	3.0
105.07020	70.4
107.04917	2.0
107.08584	69.1
109.02820	3.0
109.06522	9.9
109.10145	46.7
111.04427	4.3
111.08070	6.6
113.05990	2.7
115.05466	3.4
117.07021	8.5
119.08564	100.0
121.06477	9.2
121.10133	48.2
123.04373	2.0
123.08052	10.4
123.11677	16.5
124.99991	6.1
125.05943	4.2
125.09641	5.7
127.03923	3.5
129.07011	5.8
130.07742	2.9
131.08549	42.2
133.06480	2.9
133.10114	49.6
135.08054	10.0
135.11670	27.8
137.05952	6.9
137.09593	8.7
137.13249	4.1
139.07541	3.2
139.11156	3.8
141.05487	2.3
141.07004	3.1
142.07774	3.1
143.08519	15.2
144.03693	1.9
144.09302	4.0
145.10114	69.7
147.08040	5.0
147.11668	37.9
149.06036	2.1
149.09634	6.8
149.13239	12.9
151.07504	5.1
151.11197	3.9
153.01869	2.6
153.05498	3.3
153.09102	7.4
155.08534	6.6
156.09332	5.7
157.10098	31.8
158.10867	3.7
159.08058	4.8
159.11670	42.6
161.09630	9.7
161.13232	23.6
163.07532	5.6
163.11205	8.3
163.14792	14.1
165.09145	4.0
165.12785	3.3
167.07080	2.1
167.10657	2.2
169.10121	16.7
170.10921	4.8
171.11681	27.6
173.09596	4.0
173.13243	58.6
175.07599	2.0
175.11192	8.1
175.14810	77.0
176.15152	2.1
177.09099	5.1
177.12651	8.3
177.16399	7.8
178.05827	1.6
179.07164	1.8
179.10638	4.3
179.14291	4.9
181.08583	4.2
181.10100	3.4
181.12204	4.2
182.11050	2.5
183.11710	15.2
184.07321	32.9
184.12338	2.4
185.09637	3.4
185.13255	21.8
187.07529	2.3
187.11166	6.0
187.14796	49.4
189.09108	2.3
189.12653	10.5
189.16371	13.3
191.10667	4.3
191.14284	37.5
193.08578	3.1
193.12233	3.7
195.11700	4.2
197.13216	11.3
199.14793	37.8
200.15216	2.0
201.12708	5.3
201.16368	50.3
203.10750	2.5
203.14314	5.5
203.17917	8.1
205.12279	4.3
205.15891	6.8
207.13728	2.9
209.13261	9.2
211.14809	10.8
212.15442	2.3
213.16327	25.8
215.14311	8.5
215.17914	5.6
217.12288	2.7
217.15918	6.0
219.13692	8.2
221.15385	3.5
223.16968	3.1
225.16350	5.6
227.14346	3.2
227.17957	6.3
229.15854	5.3
229.19495	4.2
231.13747	3.1
231.17468	2.6
233.15363	7.9
235.13226	2.4
235.16812	2.6
237.14612	2.3
237.16696	2.9
239.18005	5.1
241.19466	4.3
243.13727	2.2
243.17535	2.4
245.15343	10.3
247.16969	9.2
251.17975	3.3
253.19437	3.8
257.22650	2.4
258.16177	4.0
259.16971	11.0
265.19678	2.2
267.21149	5.3
271.17163	1.8
273.18546	2.6
285.22116	5.2
294.50595	2.0
303.23141	10.3
305.17529	2.1
307.24240	5.3
309.25739	3.3
321.24472	3.7
325.21579	2.1
353.24759	10.2
363.26602	2.6
373.28775	6.8
375.30450	5.5
381.27744	4.6
391.29919	29.2
393.31528	5.7
401.28375	3.2
409.31372	3.9
411.29047	2.9
419.29376	28.5
421.31052	7.3
429.29950	5.7
437.30499	62.9
438.31018	3.1
439.32202	4.7
447.29330	4.1
455.31656	2.9
465.29962	20.4
483.30753	23.6
484.22824	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	483.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	15.5
57.07063	4.2
67.05491	26.2
69.07055	20.5
69.37881	2.8
71.62170	2.4
71.62552	4.5
79.05479	19.2
81.07038	47.3
83.05000	2.7
83.08596	8.0
85.06550	2.5
91.05467	26.7
93.07028	44.0
95.04945	8.9
95.08591	64.7
97.06534	8.0
97.10147	3.4
99.08087	3.0
103.94611	2.4
105.07011	71.5
107.08582	64.8
109.06505	8.0
109.10133	50.6
111.08054	6.3
115.05396	3.0
117.06980	8.3
119.08564	100.0
121.06490	6.6
121.10122	50.3
123.08050	5.1
123.11678	15.0
125.09608	4.1
128.06197	4.1
129.07021	5.9
130.07777	3.0
131.08548	52.7
133.10109	49.4
135.08029	10.3
135.11664	19.8
137.09578	3.1
137.13249	4.9
142.07797	4.0
143.08533	31.5
145.10094	82.8
147.08035	3.2
147.11662	36.8
149.09615	5.1
149.13211	13.3
151.07425	3.7
151.11169	3.8
153.09128	3.5
155.08472	12.6
156.09341	7.8
157.10121	36.1
158.10872	5.1
159.11671	48.3
161.09578	10.4
161.13200	23.0
163.07500	5.7
163.11139	6.8
163.14767	14.1
165.12651	3.3
169.10083	14.0
170.10945	4.3
171.11667	34.6
172.12413	3.6
173.13225	53.9
174.51384	2.4
175.11191	3.4
175.14799	79.3
177.09175	4.2
177.12733	5.8
177.16371	10.6
179.10559	2.9
179.14326	5.0
181.08667	2.6
181.10179	3.5
181.12209	4.5
183.11684	13.1
185.13229	43.0
186.13957	2.7
187.14803	56.0
189.12737	6.3
189.16324	12.8
191.14262	34.0
195.11641	6.5
197.13220	25.0
199.14787	76.7
201.12698	4.6
201.16356	62.6
203.14220	4.6
203.17979	8.2
204.18442	2.6
205.15863	10.6
207.13702	5.7
209.13260	10.4
211.14742	15.9
213.12831	4.6
213.16338	36.1
215.14307	6.9
215.17987	7.1
217.15816	5.5
219.13786	8.0
223.14778	5.2
225.16315	8.6
227.17944	13.2
229.15916	5.8
229.19540	7.3
231.13748	7.2
231.17371	4.2
233.15309	7.5
239.18031	7.2
241.19501	6.6
243.13774	3.0
245.15337	20.1
247.16898	7.1
251.17860	8.2
253.19534	6.1
255.21068	3.0
257.15268	4.5
259.16910	15.9
265.19501	3.7
267.21188	7.5
273.18658	6.2
279.21167	2.7
305.22562	4.0
307.24219	15.7
309.25449	3.3
353.24664	15.0
373.28915	9.3
375.30396	8.8
381.27692	5.8
391.29932	64.2
391.34937	3.4
393.31470	9.6
409.30972	7.2
419.29288	35.1
421.30954	6.0
428.04395	2.5
437.30469	73.3
438.30551	4.4
455.31647	2.9
465.29730	17.7
483.30692	32.3
498.44028	3.7
504.98557	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.8
55.05494	9.0
57.07067	2.2
67.05502	16.3
69.07063	16.1
69.51390	12.1
79.05489	12.6
81.07041	35.5
83.04973	2.4
83.08641	9.2
91.05470	17.3
93.07032	28.0
95.04945	4.9
95.08592	39.4
97.06531	4.4
97.10164	2.0
99.08096	4.4
105.07017	68.6
107.07857	2.6
107.08582	50.1
109.06490	2.6
109.10143	22.6
117.07018	6.7
119.04909	1.7
119.08567	81.7
121.06483	9.0
121.10143	27.5
123.08052	4.8
123.11687	4.3
129.07022	5.9
130.07780	2.7
131.07568	4.3
131.08546	74.6
133.09114	2.9
133.10112	53.3
135.08031	4.0
135.11685	12.5
137.05910	2.9
137.09642	5.1
143.08563	16.5
144.09332	3.0
145.10106	69.6
147.08043	7.5
147.11661	35.8
149.05968	2.6
149.09660	4.4
149.13246	16.6
153.09093	5.0
155.08531	4.7
156.09334	6.0
157.10098	26.8
158.10925	5.2
159.08134	2.7
159.11668	30.0
161.09596	12.0
161.13232	35.6
163.07454	1.8
163.11177	11.6
163.14819	28.2
165.09079	2.2
165.12811	2.4
169.10112	4.6
170.10977	3.6
171.10365	2.9
171.11696	22.1
172.12427	2.5
173.13248	80.1
175.11272	4.5
175.14801	97.3
176.11978	6.4
177.09164	2.0
177.12706	4.2
177.16341	14.6
179.10724	2.2
179.14275	2.0
183.11673	9.6
185.09615	2.3
185.13223	21.1
187.11214	3.8
187.14790	58.2
187.16418	3.3
188.15172	2.0
189.12744	28.3
189.16345	31.1
191.14281	100.0
191.17857	10.0
192.14658	2.7
195.11696	2.5
196.12497	1.8
197.13254	7.1
199.14793	37.5
201.12740	5.6
201.16354	68.8
202.16682	2.4
203.14297	10.7
203.17940	31.8
205.12245	2.8
205.15968	2.3
207.13832	2.4
209.13350	2.3
211.14737	4.5
213.16339	10.3
215.14317	9.1
215.17955	5.2
217.12308	4.9
217.15868	13.0
217.19208	1.9
219.13724	10.5
219.17432	4.4
221.15349	2.6
221.19316	2.1
223.14893	2.3
225.16402	4.1
227.14357	3.1
227.17915	10.0
229.15866	4.4
229.19576	7.6
231.13739	2.5
233.15404	2.5
235.13220	24.7
235.16745	9.2
237.14717	3.8
239.18021	3.9
241.19499	4.2
243.13791	3.3
243.17462	3.9
245.15457	8.7
247.16864	14.9
249.14851	7.6
249.18501	5.6
253.19554	2.4
255.17303	2.2
259.16882	3.2
261.14767	3.1
269.22406	2.7
289.18085	2.5
303.23334	2.2
307.24075	3.3
309.25702	2.0
353.24774	3.2
373.28943	8.6
375.30429	5.4
391.29953	23.7
393.31543	5.9
401.28464	3.9
409.31012	3.8
419.29428	32.0
421.31100	6.3
437.30450	54.7
438.30618	2.8
439.32132	11.3
447.28696	5.6
455.31387	3.7
465.30017	19.4
483.31039	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	11.1
57.07071	3.5
65.87330	2.3
67.05483	12.4
69.07054	19.0
69.51252	21.7
69.51601	4.5
71.38587	2.3
79.05482	14.2
81.07042	32.6
83.08607	7.1
83.50507	2.5
91.05474	17.8
91.59812	2.2
93.07025	29.6
95.08591	47.9
97.06529	6.7
98.79436	2.4
99.08087	8.4
102.88083	2.6
103.25455	2.7
105.07014	77.2
107.08579	55.9
109.10139	20.1
111.08089	2.2
112.75505	2.0
117.07009	9.4
119.08562	85.7
121.06524	13.1
121.10117	31.6
123.08017	3.5
123.11707	5.6
129.06964	8.1
130.07777	2.3
131.07573	4.6
131.08551	72.6
133.10101	50.6
135.08025	6.4
135.11690	12.5
136.25586	2.2
142.07785	3.6
143.08534	18.8
144.09354	5.3
145.10109	71.3
147.08047	7.7
147.11673	38.2
149.09619	6.1
149.13248	14.2
153.09125	2.3
155.08566	5.3
156.09305	6.8
157.10118	27.6
158.10817	4.6
159.08046	4.2
159.11688	38.8
161.09627	12.9
161.13237	36.1
163.11165	12.9
163.14809	34.6
169.10130	5.4
170.10832	6.5
171.11665	21.6
172.12503	2.7
173.13243	91.9
174.13589	5.4
175.11201	2.4
175.14813	95.2
176.11958	7.9
176.15227	3.2
177.12672	4.0
177.16371	19.1
179.10765	3.0
179.14331	3.5
181.10101	4.7
183.11722	10.7
185.13246	21.7
187.11154	4.5
187.14795	65.8
189.12727	26.8
189.16370	34.9
191.14282	100.0
191.17940	8.6
192.14656	3.7
193.15836	3.2
197.13234	7.6
199.14771	42.4
201.12730	7.4
201.16360	79.4
203.14320	15.3
203.17931	35.1
207.13705	4.3
209.13237	4.4
209.15126	2.6
211.14818	5.2
213.16377	20.4
215.14291	8.8
215.17909	5.4
217.12213	6.7
217.15874	12.8
217.19180	2.5
219.13777	10.2
219.17441	6.1
221.15318	3.9
225.16367	6.5
227.14268	2.8
227.17923	10.4
229.15831	6.7
229.19455	6.9
231.13742	5.0
231.17496	4.0
233.15471	2.9
235.13200	22.4
235.16925	5.8
239.17923	5.5
243.17389	5.8
245.15366	13.7
247.16913	17.9
249.14778	3.7
249.18463	6.0
255.21272	2.5
257.15305	3.6
259.16827	2.7
261.14828	5.6
267.20938	3.1
287.16745	2.5
301.17993	2.6
305.22705	2.4
307.24225	4.1
353.24591	4.0
373.28772	6.3
375.30420	7.1
391.29877	23.4
393.31552	6.9
409.30994	7.2
419.29440	34.0
421.31128	6.9
437.30487	67.5
438.30621	5.8
439.31833	11.0
447.28668	7.7
465.29953	21.9
483.31027	23.5
484.30927	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	483.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.05494	10.3
67.05499	14.4
67.36880	1.9
67.46954	2.5
69.03413	11.6
69.07057	14.3
70.82152	6.5
71.04972	4.8
79.05474	12.1
81.07056	29.5
83.08611	7.6
91.05473	16.9
93.07027	34.0
95.04949	4.9
95.08597	36.2
97.06554	3.1
97.10154	2.8
99.04451	2.0
105.07008	38.0
107.08578	42.0
109.06471	4.8
109.10142	21.9
111.08092	3.2
117.06974	9.8
119.08569	59.9
121.06474	7.7
121.09314	2.6
121.10131	37.9
123.08051	5.6
123.11671	7.8
125.09569	3.0
128.06180	2.7
129.05461	3.7
129.06935	5.0
131.08551	33.5
133.10104	37.0
135.08028	7.3
135.11664	18.0
137.09604	5.0
139.07513	3.2
141.06943	2.4
142.07776	3.3
143.08568	17.5
145.06377	2.8
145.10110	53.9
146.10297	1.9
147.07993	2.7
147.11659	25.5
149.09583	3.2
149.13272	12.7
151.07426	2.0
153.09055	4.4
155.08531	4.6
156.09293	5.0
157.10117	22.6
158.10970	2.0
159.11650	40.9
161.09634	4.2
161.13234	15.3
163.07468	2.9
163.11145	7.3
163.14763	18.3
165.09065	3.0
165.12740	2.8
167.07005	3.7
169.10112	6.5
171.11691	15.7
173.09648	3.2
173.13255	28.9
175.11162	4.1
175.14799	23.0
177.12697	4.6
177.16359	16.8
179.14267	2.4
180.86188	1.9
181.08571	60.7
181.10114	3.1
183.10237	2.9
183.11659	10.6
184.12373	2.6
185.13245	19.7
187.14790	91.2
188.15005	3.1
189.12685	3.8
189.16393	13.4
191.10622	2.7
191.14297	7.3
195.11603	3.6
197.13226	7.4
199.13115	3.4
199.14766	21.9
201.16354	83.7
203.14252	6.0
203.17923	8.2
207.13722	3.4
209.13307	4.6
211.11226	3.2
211.14771	4.2
213.16336	21.3
215.17928	7.3
217.15799	4.2
217.95921	2.1
219.13824	4.7
221.15353	5.2
223.14964	2.6
225.16310	5.4
227.14316	2.1
227.17949	11.5
229.19534	2.5
230.61330	2.0
231.13791	2.5
233.15283	3.2
237.07478	2.4
237.14648	3.2
238.07890	2.5
239.17918	5.7
241.19409	7.0
245.15358	11.3
247.16908	4.6
251.17940	3.6
253.19467	6.2
259.16788	4.6
263.16351	33.1
279.20834	2.9
307.24139	3.0
309.25717	2.4
335.20392	2.3
349.29120	3.3
377.28415	4.3
419.29120	9.5
423.28857	2.5
437.30499	100.0
438.30637	6.9
439.32028	47.9
440.32196	4.0
447.28906	4.1
465.29947	5.8
483.30881	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	483.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57747	0.6
52.64682	0.5
53.03930	0.7
55.05505	18.7
57.03432	7.9
57.07067	10.0
57.07339	1.1
59.31711	0.4
67.05492	4.4
69.07058	24.1
71.08621	5.3
79.05482	1.9
79.31163	0.4
81.07052	5.9
83.04956	1.1
83.08606	20.7
85.06575	0.5
85.10160	1.9
88.38541	0.7
88.70354	0.5
91.05485	1.1
93.07033	4.7
95.08604	5.1
97.06533	2.7
97.10156	13.3
98.98451	8.5
105.07020	1.6
107.08560	4.1
109.10152	2.7
111.08076	1.3
111.11691	3.4
117.07038	0.5
119.08593	1.2
121.10113	3.9
123.11679	1.1
125.09588	0.8
125.13258	1.3
131.08557	1.2
133.10109	1.5
135.11658	3.5
137.13214	0.6
144.77745	0.6
145.10114	1.2
147.11667	1.4
149.13292	1.2
155.01019	4.4
158.12119	0.6
159.11635	0.9
161.09677	0.7
161.13240	0.7
173.02005	0.8
173.13206	0.9
175.14824	0.8
191.14268	0.6
199.14871	0.6
201.16371	0.6
227.20085	0.6
229.04819	1.0
237.22026	1.2
311.25760	100.0
312.26019	1.5
375.78876	0.5
447.24713	3.0
465.33200	0.7
483.34625	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
53.56909	0.5
55.01859	1.6
55.05486	2.9
57.03426	5.9
57.07063	0.8
58.99987	0.6
59.04972	2.3
61.02913	3.5
65.03907	1.0
67.05489	8.8
69.03072	1.2
69.03420	16.6
69.07050	1.8
69.57022	1.7
69.57442	3.6
70.03796	0.6
71.04980	48.0
73.02892	2.9
75.04469	4.0
79.05462	2.0
81.03405	9.6
81.07033	0.9
83.04969	12.5
83.36782	0.7
84.05302	0.8
85.02888	15.1
85.06526	10.3
87.04440	2.5
91.05487	0.8
93.07021	1.4
94.06526	1.0
95.04955	17.3
95.08592	0.9
97.02876	8.6
97.06486	3.7
99.04440	4.9
101.05958	0.8
103.07537	0.6
105.07020	1.0
107.08552	1.7
108.08086	1.2
109.02859	8.4
111.04422	2.7
112.07592	2.0
113.05984	29.8
115.03851	0.8
118.06520	3.0
119.08522	0.7
120.08075	0.7
121.10136	0.8
122.05979	1.8
124.03848	0.8
127.03895	14.7
127.07532	21.9
129.05479	1.0
131.07024	23.5
136.07567	0.9
137.05902	1.1
141.05429	2.1
143.07024	1.8
145.04950	3.2
145.07680	4.7
145.08574	100.0
146.05988	1.7
146.08820	0.9
149.08072	6.2
149.09428	1.1
153.01825	3.6
155.07016	3.0
157.05074	0.8
159.06514	6.2
164.07034	1.1
167.09164	1.3
173.07040	27.9
174.07791	1.7
177.07536	3.7
184.07294	1.9
184.11267	1.0
187.05959	1.7
189.10187	2.1
196.10004	1.2
201.10214	0.7
202.10977	2.3
203.11757	3.1
206.08347	1.4
207.13708	1.0
211.12288	2.3
212.10796	0.7
219.15378	0.8
221.10701	1.8
223.08661	0.9
224.09457	1.1
227.09151	1.1
229.13423	1.4
238.10974	1.2
239.09160	1.7
239.11755	4.2
241.09731	1.0
244.12122	2.2
245.10165	1.5
247.14465	0.9
252.06042	0.8
257.10132	4.2
257.12854	8.6
258.11151	1.3
262.13156	1.4
267.08762	1.0
267.11276	9.4
268.08380	0.7
272.11877	0.7
275.11053	2.6
275.13913	7.8
285.12296	17.4
286.13089	0.8
290.12521	1.4
293.12213	1.8
293.15094	0.8
299.11267	0.8
303.13336	46.2
304.13644	1.5
305.01831	0.7
311.13321	2.7
317.12308	4.9
321.14389	38.7
322.14624	1.0
335.13345	10.0
346.27444	0.7
387.16406	1.0
405.17578	2.8
447.18518	4.7
465.19385	4.5
483.19437	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	483.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01862	0.8
56.90009	0.6
57.03422	1.6
61.02926	2.7
66.95128	0.5
67.05485	1.2
69.03415	5.9
70.57828	1.2
70.58224	1.4
71.01352	0.7
71.04991	1.1
73.02895	1.2
79.05486	0.7
81.03390	2.5
85.02415	0.9
85.02894	10.9
87.04452	1.0
94.06538	1.1
96.64427	0.6
97.02877	5.0
99.04465	0.8
109.02857	2.9
111.04421	0.8
122.06028	1.2
127.03942	3.6
136.07553	1.8
137.05943	1.6
138.05469	1.0
145.04979	0.9
147.04324	0.6
148.07509	1.0
151.03854	0.8
153.01796	6.0
154.02113	0.8
164.07111	0.7
166.52106	0.6
168.07951	0.7
169.01299	0.8
169.08810	0.8
169.35405	0.6
173.07043	0.9
181.08823	1.3
182.08220	0.7
182.09740	0.8
183.09132	1.4
184.11253	0.7
185.07077	0.9
187.12117	0.7
194.09668	1.4
195.09123	1.3
196.09883	6.7
196.11414	0.7
197.10588	2.8
198.07878	1.0
199.08618	0.9
206.08369	17.2
206.10300	1.1
209.07068	1.4
209.10822	0.8
210.07944	0.9
210.11446	1.3
211.08691	1.8
211.12254	10.9
212.09032	0.6
212.10832	0.7
213.10178	0.9
215.09554	0.6
220.09946	2.1
221.10698	7.3
223.08604	4.9
224.09428	8.4
225.10170	1.0
226.11032	1.1
227.08102	3.8
227.11818	0.8
237.10258	3.3
238.10995	6.1
239.07982	1.6
239.11769	25.6
241.09677	2.3
252.08838	2.0
254.10307	1.0
257.12830	5.4
258.11282	1.0
259.14465	0.6
267.11252	57.2
268.11536	1.8
271.10718	1.1
272.11493	5.0
273.12128	0.8
275.13843	0.9
276.12350	1.0
285.12296	60.6
286.12564	2.3
287.13916	0.8
303.13348	100.0
304.13620	2.5
321.14368	8.2
322.12735	1.5
324.90454	0.6
340.37143	0.6
447.17862	1.1
465.18839	3.1
483.19901	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	483.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.01860	1.2
57.03413	2.2
61.02907	2.7
61.99701	0.7
62.09203	0.7
67.05499	1.1
69.03423	8.2
69.07049	2.0
70.06583	1.1
70.75658	0.8
71.00784	1.9
71.01159	0.6
71.04981	2.1
73.02901	2.5
81.03405	3.6
84.88217	0.7
85.02895	14.3
87.04451	1.2
89.36266	0.8
91.05477	1.0
93.07045	1.0
94.06561	1.3
97.02890	6.8
97.06531	1.9
105.05743	1.5
108.08095	2.9
109.02862	2.3
112.07582	3.4
118.06535	3.4
120.08137	1.4
122.06032	3.0
124.07574	1.3
127.03902	3.8
128.04979	1.3
131.07074	1.3
136.07556	3.5
137.05952	1.3
140.07010	1.4
143.03389	0.7
145.04959	2.7
145.07588	7.2
146.06009	3.7
146.08392	1.9
148.07585	1.4
149.09370	0.7
152.07106	0.8
153.01801	4.8
158.09676	1.2
164.07104	1.6
168.06601	1.3
170.05750	1.1
173.07077	43.0
174.07860	5.0
174.11496	1.3
175.12297	1.3
181.08788	1.0
186.09041	0.9
188.03767	1.0
189.10217	5.4
194.09572	1.7
196.09837	4.5
197.10701	2.2
199.23260	0.7
201.10162	1.6
202.10909	4.1
203.11723	6.3
206.08372	9.9
209.06964	0.9
210.11540	0.8
211.12231	7.0
212.10698	1.1
220.09901	1.5
221.10780	5.0
223.08665	2.4
224.09435	5.0
227.08086	1.9
229.13353	2.5
230.11830	1.2
232.12054	1.2
234.98991	1.2
237.10179	2.3
238.11055	3.9
239.11731	14.9
241.06514	1.2
241.09743	1.6
244.12021	6.3
257.12799	15.7
258.11215	1.2
262.13092	3.5
267.11255	32.0
272.11444	1.9
273.12170	0.9
275.13864	14.8
277.03415	3.3
285.12299	44.4
286.12802	0.8
287.13821	1.7
290.12616	4.7
293.14902	1.2
303.13348	100.0
304.13666	2.6
305.15030	1.2
321.14410	72.4
322.15060	1.6
402.28821	0.9
423.09494	2.4
460.49188	0.9
465.18561	2.1
483.13547	0.9
483.19730	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	483.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01859	0.9
55.05496	0.6
57.03415	2.2
61.02901	2.4
61.54483	0.5
65.03933	0.6
65.70460	0.5
67.05479	0.9
69.03419	6.3
71.04954	1.2
73.02894	1.1
73.25727	0.5
79.05504	0.8
81.03421	3.0
81.07041	1.3
83.04974	0.7
85.02888	9.2
87.04401	0.6
91.03940	0.6
91.05430	1.1
93.07006	0.8
94.06554	1.0
95.04928	1.0
97.02882	4.3
97.06521	1.2
99.04427	1.5
107.08551	0.7
109.02856	2.3
109.06471	1.1
111.81070	0.5
119.04900	0.6
120.08108	0.8
121.06458	0.6
122.06002	1.3
124.07552	0.8
125.02303	1.3
125.05927	0.8
127.03900	3.8
127.07520	1.6
131.04869	0.7
131.07021	1.1
134.05991	0.7
136.07539	1.1
137.05954	4.1
139.03850	0.6
143.03366	1.5
144.07983	0.6
145.04945	1.6
147.04361	1.7
149.05914	1.8
151.03850	1.5
152.07019	1.1
153.01801	15.0
153.02977	1.2
153.09029	0.8
154.02077	0.8
155.07048	0.6
161.05981	1.0
164.07043	1.4
166.08586	0.8
167.03354	0.8
167.07147	0.8
169.01312	2.9
169.08809	0.8
170.05814	0.6
170.09668	0.7
171.02884	0.7
171.10231	0.8
173.08154	1.1
179.07069	1.0
180.08112	0.7
184.11215	0.9
193.04991	0.6
194.09610	2.2
195.09123	0.9
196.09903	7.5
197.10687	2.9
206.06581	0.6
206.08363	15.2
209.07077	1.4
209.10709	0.8
210.11420	1.0
211.08656	0.9
211.12277	9.8
211.18846	0.6
220.09920	2.6
221.10657	7.3
223.08574	4.0
224.09387	7.5
225.10106	0.8
226.10976	1.6
227.08109	3.2
227.11873	0.7
228.08823	0.8
229.13275	0.5
234.98990	1.2
236.10324	0.9
237.07930	0.5
237.10124	2.7
238.10939	5.8
239.07997	1.3
239.11743	24.8
241.09604	2.2
252.08800	1.0
254.10475	1.9
257.12820	4.3
267.11240	58.0
268.11646	1.7
271.10684	0.9
272.11536	5.8
273.11292	0.9
275.13739	1.2
277.03445	0.7
285.12277	57.9
286.12604	2.0
287.13882	0.8
291.05066	0.8
297.05716	0.8
303.13333	100.0
304.13699	3.5
321.14334	6.1
333.14417	0.6
339.11151	0.6
423.09485	0.9
465.18448	2.2
483.19635	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	483.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.9
58.99866	1.3
60.01463	0.7
61.02913	0.9
63.96084	0.8
69.03419	4.1
69.65535	2.0
69.65950	4.0
74.95592	0.7
75.52827	0.7
81.03419	2.0
82.02651	0.8
82.99878	2.5
85.02898	7.9
94.52634	0.8
94.99896	0.9
97.02876	4.9
98.97603	1.1
101.00874	10.1
102.06464	0.8
109.02851	3.0
110.47462	0.9
110.97560	0.8
113.00837	2.6
115.02446	1.5
116.98576	0.9
119.01908	25.4
120.01981	1.0
127.02435	2.6
127.03905	2.4
129.04001	1.3
131.01892	14.9
133.03473	2.9
137.02930	1.7
139.02414	1.4
142.03481	1.0
143.01884	20.7
145.03444	14.5
145.04932	2.5
147.01389	2.3
147.05040	4.4
149.02928	3.9
153.01799	2.6
153.03963	1.0
155.00615	1.2
155.01878	23.7
155.03101	1.6
157.03436	8.9
159.01389	1.6
159.05069	1.3
161.02939	25.9
163.04509	2.2
165.06079	0.9
167.01869	7.3
169.03506	6.2
171.01311	0.8
171.05014	3.4
173.02943	43.9
173.06824	1.1
174.03078	1.8
175.04541	5.0
177.02347	4.3
179.01866	2.8
181.03322	1.0
183.01324	1.2
183.05070	2.8
184.04597	0.9
185.02943	50.5
186.03152	1.4
187.02890	1.2
187.04498	7.7
189.06015	5.1
191.03947	3.0
195.03458	1.3
196.04533	1.5
197.02953	18.8
199.04430	1.9
200.04443	1.2
201.02425	40.1
201.06067	10.3
202.02538	1.0
203.03966	15.8
203.07588	1.2
205.05571	0.9
206.08348	1.1
208.04533	0.9
209.02992	2.8
211.04492	1.5
211.06454	1.2
213.02420	9.6
215.03978	11.1
215.07407	1.1
217.05618	1.7
219.03491	92.9
219.07004	2.7
220.03734	2.8
221.02983	1.4
221.05016	7.8
225.02408	1.5
225.06102	2.0
227.03999	11.2
231.03519	11.0
231.07016	1.7
233.05145	1.2
235.06667	1.0
237.02481	2.3
237.04547	3.9
239.04088	1.8
239.11604	1.5
240.87407	0.8
242.05186	4.1
243.03473	3.3
243.07227	0.9
245.05054	100.0
246.05199	5.9
247.06633	1.9
249.04538	7.9
250.87015	0.9
255.03542	4.8
257.05066	6.6
257.12842	1.4
259.06589	3.5
261.04526	16.7
261.08298	1.1
263.06076	13.7
264.06128	0.9
267.11237	4.2
271.06702	1.1
273.04526	1.8
273.07822	1.5
275.06049	13.9
277.03406	2.0
277.07599	1.1
279.05597	8.6
285.04504	3.1
285.12344	5.0
291.05954	1.5
291.09177	8.8
293.07184	5.3
303.05606	28.7
303.09094	2.3
303.13174	10.0
304.05579	1.1
305.07162	9.7
307.09183	1.1
309.10321	2.8
321.06674	50.3
321.10300	4.9
321.14017	6.6
322.06906	1.7
335.08130	3.8
339.07913	2.8
347.07977	1.0
349.09702	3.3
365.09204	12.6
367.10641	3.3
383.10123	0.9
423.03461	0.9
465.10922	4.7
483.10883	48.1
483.17325	9.8
484.12796	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	482.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01866	4.4
55.05488	2.8
57.03432	8.6
57.07056	2.5
57.93813	0.6
59.04978	2.8
61.02913	3.3
67.05478	2.8
69.03420	11.8
69.07062	13.5
70.34184	1.6
70.34578	1.4
71.01338	2.3
71.04980	13.8
73.02907	10.3
73.06521	1.7
77.92973	0.7
79.05478	3.6
81.03410	3.5
81.07052	12.7
83.04967	1.5
83.08600	3.2
85.02895	32.0
85.06504	1.1
86.09685	3.6
87.04438	2.0
89.44051	0.7
91.03923	1.2
91.05466	4.0
93.07031	14.0
95.04950	2.0
95.08591	6.4
96.36150	0.7
97.02881	16.8
97.06519	1.5
99.04417	1.0
103.03925	3.0
104.10727	0.9
105.07021	4.0
107.04955	0.7
107.08577	14.4
109.02877	3.6
109.06514	2.3
109.10138	4.1
111.04409	1.1
115.03928	8.9
117.07016	0.8
119.08575	6.6
121.02852	1.6
121.06473	1.2
121.10110	2.1
123.08083	0.9
123.11677	0.8
124.99983	2.4
125.13279	6.5
127.03890	9.8
128.06299	0.7
129.05476	0.9
131.07042	1.0
131.08566	1.7
133.04948	13.0
133.06464	1.0
133.10141	1.6
135.10667	1.3
135.11678	21.0
137.05969	1.3
137.13255	1.2
139.03856	1.2
139.11160	0.9
143.08568	0.8
145.04955	12.7
145.06204	0.9
145.10110	1.6
147.08060	1.9
147.11635	0.9
148.09608	0.8
149.09630	1.0
151.03885	1.7
151.11198	1.6
153.01814	1.8
153.12727	100.0
154.13092	1.8
154.85034	0.6
159.08008	1.7
159.11777	0.7
161.09642	1.3
161.13243	1.2
163.05991	6.3
165.12729	4.9
166.08606	1.2
169.04955	0.7
171.13776	1.5
173.09682	1.7
177.12782	1.7
179.73782	0.6
184.07333	11.8
189.12735	1.6
191.10736	0.8
193.08588	1.1
195.13885	1.4
201.86087	0.7
207.13725	1.8
210.94380	0.6
211.09628	2.2
217.07079	0.6
219.13811	1.2
223.06007	1.6
231.13797	1.0
241.07066	2.0
249.14977	0.8
259.08151	3.2
261.14874	2.1
267.15778	1.6
277.09009	0.8
279.15771	1.7
282.61737	0.7
285.16888	5.8
295.10214	2.3
297.16980	3.2
315.17984	9.3
333.19000	2.2
333.91324	0.6
367.20856	0.7
377.51498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.7
53.22565	0.6
55.01857	1.3
55.05500	3.8
55.71660	0.5
57.03435	3.2
57.03649	0.7
61.02906	2.0
64.10835	0.5
67.05495	11.6
69.03392	1.4
69.06718	0.8
69.07060	9.3
69.46686	5.4
70.07378	0.7
71.04978	2.1
73.02911	1.0
74.96323	0.5
79.05489	5.7
81.03396	1.1
81.07044	38.1
82.07372	1.7
83.04971	3.0
83.08605	4.8
85.02885	3.1
85.06528	5.2
91.03934	1.3
91.05465	8.0
93.07035	6.5
95.04925	0.7
95.08594	9.7
96.08907	1.7
97.02884	1.4
97.06512	3.7
97.10135	0.9
98.21500	1.2
99.08072	3.2
101.05974	0.7
105.07015	14.8
107.08577	7.0
109.06487	2.4
109.10114	3.5
110.10445	1.5
111.04386	0.7
111.11700	1.0
112.12004	0.7
113.02337	0.6
113.09613	2.3
114.09948	0.9
119.08566	12.5
121.09320	0.8
121.10128	10.0
122.10471	0.6
123.08047	3.0
123.11686	17.1
124.12012	1.1
127.03852	0.8
127.07525	1.6
129.06982	1.2
133.10103	1.3
135.11652	1.9
136.11967	0.7
137.05925	2.0
137.09566	1.0
137.13223	2.3
141.09131	0.6
145.10059	0.9
147.11665	38.7
148.11960	1.0
149.13228	0.7
152.15070	0.6
153.01804	3.3
157.10078	1.0
165.12735	17.3
175.11151	2.0
183.13806	3.0
191.17987	0.9
192.18251	1.8
193.12224	1.6
209.18996	1.0
210.19339	1.4
227.20010	1.0
228.20311	1.6
229.14313	6.4
248.24536	0.8
265.25189	1.0
266.25543	2.5
267.15881	40.2
268.16150	0.9
284.26489	1.4
285.16925	100.0
286.17285	1.8
303.17957	0.8
447.22394	1.0
482.11844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24599	0.3
55.05494	0.7
57.07064	0.6
59.45592	0.3
66.36028	0.3
67.05487	1.4
69.07050	0.8
69.64204	1.9
69.64615	0.6
71.08620	0.4
74.36189	0.3
74.49004	0.4
79.05468	0.4
79.53522	0.3
81.07037	1.6
83.08605	0.6
85.28479	0.3
87.28838	0.3
91.05437	0.3
93.07030	0.4
95.08585	1.1
97.10188	0.5
105.06967	0.3
107.08543	0.4
109.10142	1.2
119.08565	0.6
121.10110	0.4
123.11726	0.6
125.02342	0.7
133.10106	0.4
139.03931	0.4
149.02336	0.5
161.13100	0.3
167.03377	0.5
179.31335	0.3
199.06030	0.7
463.33942	1.4
481.36465	100.0
482.36685	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	482.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.5
55.01851	1.9
55.05497	1.2
57.03428	3.5
59.04977	1.6
60.07124	0.5
61.02906	1.2
67.05474	0.5
69.03415	6.7
69.07048	1.6
71.01343	0.6
71.04980	12.6
71.54426	1.1
73.02908	6.4
73.06545	3.1
79.05473	3.0
79.66899	0.5
81.03402	1.1
81.06573	0.9
81.07040	12.6
85.02892	15.3
91.03938	0.7
91.05471	0.8
93.07030	8.9
95.04936	0.6
95.08607	2.2
97.02876	11.1
97.06515	0.8
103.03925	1.1
107.08575	8.7
109.02857	1.5
109.10120	1.5
115.03918	4.9
127.03912	4.6
133.04933	6.8
135.11670	18.4
136.11992	0.7
145.04941	6.4
153.12720	100.0
154.13063	2.1
163.06013	4.6
171.13786	1.3
196.66058	0.5
223.05983	0.5
229.99432	0.6
241.07103	1.1
259.08139	2.0
277.08942	0.7
285.17014	0.9
295.10281	0.9
313.11801	0.5
405.07077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01873	2.5
55.05510	4.3
55.55005	1.8
57.03407	2.4
59.76730	1.8
63.42294	1.7
67.05505	10.1
68.99798	1.6
69.03416	9.4
69.07063	15.6
69.07840	1.6
69.44436	4.0
69.44848	12.3
71.04990	11.2
79.05488	13.0
81.03416	19.7
81.07042	26.2
82.07398	2.0
83.04977	5.3
85.02896	10.8
85.06527	4.9
91.05465	8.1
93.07036	31.4
95.04958	6.6
95.08568	10.9
96.05305	1.6
97.02880	5.9
97.06510	13.1
99.04435	14.9
101.05990	2.4
105.07021	27.7
107.04917	2.3
107.08584	38.7
109.02863	32.4
109.06524	9.6
109.10130	4.4
111.04399	2.1
111.08054	5.0
113.05992	5.2
117.06984	4.0
119.08578	10.0
121.06502	12.6
121.10130	34.2
121.18667	1.6
122.10438	2.2
123.08037	6.0
123.11691	3.4
125.05907	1.8
127.03893	28.0
127.07503	3.4
131.08521	4.2
133.10045	2.6
135.08054	6.4
135.11690	15.3
137.05975	5.0
137.09563	2.1
139.11137	2.6
145.08566	3.7
145.10127	29.8
147.11687	10.9
148.14368	1.6
149.05940	2.0
149.09613	14.4
151.07491	6.3
153.01831	2.2
153.12750	7.8
157.09941	2.0
159.11652	3.3
163.11168	72.9
164.11597	2.9
165.09116	2.3
165.12769	4.2
167.06998	2.8
167.10637	22.7
169.08585	37.2
169.66380	1.9
173.09596	5.9
175.11121	2.4
181.12207	19.9
185.11702	4.0
187.11275	2.0
191.10649	41.8
191.12312	3.0
192.75998	1.8
205.12050	1.9
209.11684	41.6
214.15898	2.0
215.10675	2.5
227.12749	100.0
228.13194	4.0
229.14328	6.1
233.11678	2.0
245.13835	7.1
269.13791	11.4
282.64880	1.4
285.16956	16.4
289.14279	6.5
317.13782	7.0
335.14816	12.0
353.15903	49.3
371.16913	28.4
389.17856	6.5
465.19992	2.0
482.19070	5.8
483.22244	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	481.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
55.05502	23.5
57.03427	4.2
57.07074	13.6
67.05492	29.5
69.03409	8.4
69.06717	3.1
69.07062	50.4
70.18423	3.7
70.18831	9.1
71.04979	8.5
71.08619	2.4
71.44662	1.9
79.05484	12.6
81.03416	3.0
81.07045	100.0
83.04977	4.0
83.08604	23.3
85.02888	11.7
85.06531	43.3
85.87108	2.4
91.05468	9.0
93.07037	25.7
94.90229	2.2
95.04960	3.9
95.08595	75.6
97.02879	4.6
97.06519	5.1
97.10162	15.1
99.04447	2.1
99.08076	22.6
105.07027	12.8
107.08585	26.3
109.02902	3.3
109.06488	4.4
109.10140	64.9
111.11691	16.9
113.09647	33.5
119.08575	11.5
121.10135	26.8
122.03613	2.7
123.08017	2.7
123.11685	31.0
125.09600	4.4
125.13235	2.0
127.03918	4.5
127.11204	6.1
133.10107	4.3
135.11668	27.2
137.05974	26.0
137.09633	2.5
137.13219	19.8
139.11128	6.4
141.12718	3.1
145.10109	4.6
147.11670	15.5
149.05991	3.2
149.13223	12.2
151.07497	5.7
151.11192	2.2
151.14795	7.7
153.01805	2.6
155.14244	3.4
161.09631	2.0
163.14815	4.4
165.09181	3.2
165.12726	10.0
165.16376	3.2
167.06975	4.2
177.16394	6.9
179.10608	2.2
179.17902	2.4
187.14793	3.2
191.10651	2.1
191.17929	29.8
209.18977	34.8
227.20052	38.5
229.14215	3.0
247.24129	18.9
265.25217	48.6
267.15900	19.5
283.26254	42.0
285.16956	36.6
301.27298	6.0
319.28558	2.6
337.35907	2.2
445.28976	2.5
481.11154	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	481.3156
Annotation	Xestobergsterol B
Peak:m/z	Relative Intensity
53.03924	2.8
55.01857	8.5
55.05506	23.0
57.03428	4.8
57.07050	7.0
59.04994	3.0
67.05164	3.3
67.05492	43.1
69.03420	6.5
69.06707	3.9
69.07053	31.0
69.97626	7.0
69.98021	4.2
71.04963	9.1
73.82660	2.3
77.03935	2.2
79.05485	32.1
81.03391	6.7
81.07043	72.0
82.07355	5.5
83.04969	15.3
83.08603	9.7
85.02887	5.2
85.06536	7.3
91.05463	28.7
93.07032	53.3
94.07330	4.4
95.04961	11.3
95.08592	61.3
97.02877	3.5
97.06516	13.7
97.10157	6.2
99.04423	7.3
99.08084	4.8
101.05997	3.6
105.07013	33.9
107.04949	3.3
107.08576	65.7
109.06482	12.8
109.10138	44.5
111.04408	4.0
111.08038	9.7
117.07017	5.7
119.07788	3.1
119.08563	40.4
121.06478	6.3
121.10127	60.7
123.08047	11.0
123.11692	35.9
125.05956	6.2
125.09637	6.2
127.07500	4.9
129.06955	4.1
131.08537	15.8
132.08858	2.6
133.10106	51.2
135.08005	7.1
135.11664	63.3
136.11880	2.8
137.05928	7.7
137.09547	4.7
137.13251	18.6
139.07443	3.2
143.08530	6.7
145.10103	24.3
147.08015	3.1
147.11655	30.5
148.11961	2.5
149.09607	6.5
149.13235	39.2
150.13528	3.3
151.07486	3.4
151.11157	9.5
153.01929	2.4
153.12720	3.2
155.06989	5.4
156.09349	4.0
157.10097	8.4
159.11702	20.3
161.09601	11.7
161.13254	19.6
163.11151	10.8
163.14813	7.5
165.08966	2.5
165.12761	11.4
169.10106	3.8
171.11626	9.3
173.09563	2.8
173.13257	17.8
175.11176	9.5
175.14787	20.6
177.12717	8.2
177.16310	7.5
179.14296	3.3
181.12207	6.9
185.13220	10.7
187.11086	3.5
187.14796	10.0
189.09068	2.4
189.12712	5.5
189.16370	23.2
191.10680	5.4
191.14186	4.5
193.12195	12.7
195.13748	7.1
197.13248	7.2
199.14832	5.3
201.12749	3.1
201.16426	3.7
203.10747	2.7
203.14333	9.7
203.17903	2.8
205.12184	5.3
207.13786	2.8
209.11536	3.9
209.13368	3.7
211.13226	8.7
211.14944	4.2
215.14340	5.2
215.17975	4.2
217.12135	2.8
217.15825	5.5
219.13759	5.4
221.15379	2.7
227.14345	3.5
229.15945	3.8
231.13814	3.9
233.15236	4.4
235.16876	6.3
239.12706	3.2
245.15485	4.1
253.14255	6.9
261.18521	3.6
267.15775	4.1
285.22040	4.1
339.26843	7.4
357.27762	5.0
363.26822	6.7
371.29468	4.3
381.27814	17.4
391.26187	3.4
399.28885	28.5
409.27121	10.1
413.40097	2.8
417.24561	3.9
417.29959	67.8
418.30228	4.1
427.23276	3.8
427.28464	44.5
435.30389	3.5
445.29459	100.0
446.29745	5.7
463.30801	33.0
481.14563	7.1
481.29340	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	481.3154
Annotation	Xestobergsterol B
Peak:m/z	Relative Intensity
55.01834	5.4
55.05506	23.2
57.03421	4.3
57.07071	9.5
63.88402	3.6
67.05487	42.4
69.03411	14.9
69.07048	35.0
70.52473	11.5
71.04972	10.2
79.05476	31.3
80.43513	3.9
81.03405	18.4
81.07044	86.6
83.04948	10.8
83.08599	13.2
84.76216	4.1
85.02885	10.9
85.06537	33.5
91.05465	36.3
93.07026	51.6
95.04946	17.7
95.08600	71.9
95.68459	4.0
97.02905	6.1
97.06495	11.1
97.10132	4.6
99.04440	10.4
99.08071	6.9
105.07006	47.6
107.04922	10.9
107.08582	51.1
109.02837	8.2
109.06496	27.3
109.09421	6.4
109.10133	44.7
111.04456	9.4
111.08049	8.1
113.06021	4.7
117.07020	6.6
119.07681	5.2
119.08556	92.4
121.06469	9.6
121.10098	40.2
122.03638	9.4
123.04422	5.2
123.08034	10.8
123.11706	23.4
125.05962	10.8
125.09596	8.1
127.03902	9.6
127.07536	35.3
129.06985	6.6
131.08537	19.5
133.10115	60.2
135.08028	9.4
135.11687	32.1
137.05966	100.0
137.09592	10.1
137.13210	10.3
138.06268	4.3
139.07491	5.0
139.11220	5.2
142.07706	6.0
143.08524	13.2
145.06337	5.2
145.10071	34.3
147.04332	5.4
147.11639	30.8
148.05280	4.2
149.09581	8.5
149.13206	8.3
151.03931	3.9
151.07504	11.4
151.11140	9.2
153.09029	5.0
153.12791	6.5
153.93373	4.2
155.07018	5.8
155.08476	6.0
157.10089	14.4
159.11636	36.9
161.09535	6.5
161.13225	15.2
163.11206	11.5
163.14801	8.4
165.09045	12.1
165.12769	5.7
165.16290	5.0
167.06989	6.7
167.10611	4.8
169.10001	4.3
170.10794	6.5
171.11649	13.9
173.13208	26.6
175.11176	10.5
175.14810	86.9
177.12848	5.7
177.16435	5.0
179.10622	5.4
183.11629	10.5
185.13232	16.1
187.07457	4.5
187.11211	5.7
187.14803	14.4
189.12628	5.3
189.16325	19.0
191.10690	8.2
191.14194	4.9
193.12201	9.6
195.11667	5.9
197.11552	7.0
197.13248	9.1
199.14772	15.9
201.12538	4.8
201.16403	38.8
203.17978	37.4
205.15776	6.2
211.09564	5.4
211.13072	7.6
211.14964	5.3
213.16376	13.0
215.17877	9.9
217.15904	4.8
227.17880	4.3
229.14244	4.2
239.17923	5.9
247.24419	4.9
253.08513	4.3
253.14290	5.6
258.34930	4.0
265.08636	7.8
265.25150	6.5
279.15820	9.0
283.26266	6.9
285.11240	9.4
297.11276	9.0
301.21594	9.0
314.09589	4.7
319.22668	6.4
389.23145	11.1
403.24530	8.3
409.27194	10.7
427.28336	98.5
428.28607	7.1
445.29501	58.2
463.27518	14.2
481.28232	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	481.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.0
55.01868	9.1
55.05254	1.8
55.05501	18.5
57.03429	14.7
57.07043	3.6
65.03919	2.3
67.05493	80.0
68.05827	1.8
69.03415	10.4
69.07058	26.3
71.01329	1.6
71.04994	13.6
75.03346	1.7
79.05475	42.3
79.97665	1.8
81.03406	55.1
81.07044	83.6
82.07394	2.4
83.04965	21.3
83.08611	20.4
83.18550	1.5
85.02429	1.9
85.02897	24.7
85.06537	9.8
86.89118	1.7
87.04401	1.9
91.05465	78.4
93.06462	2.8
93.07026	44.4
95.04951	28.9
95.08595	24.9
97.02878	3.1
97.06509	8.1
97.10149	6.3
99.04434	5.8
99.08095	2.5
103.05442	1.6
105.07017	70.7
107.04910	6.0
107.08577	56.3
109.06499	14.1
109.10139	96.6
111.04401	4.4
111.08080	10.6
113.05968	6.8
117.06969	2.8
119.08573	26.7
121.06470	4.9
121.10139	18.4
123.04388	1.8
123.08064	8.1
123.11688	19.1
125.05963	3.5
125.09603	3.4
127.07513	4.4
127.11162	2.5
127.84626	1.5
128.06197	2.6
129.06961	10.3
131.08569	16.9
133.06433	1.6
133.10104	100.0
134.10410	1.5
135.08038	2.9
135.11656	7.4
137.05942	13.8
137.09575	4.7
142.07742	4.2
143.08493	4.2
145.10123	7.4
147.08089	1.5
147.11682	14.2
149.09636	10.2
149.13220	3.9
151.07530	2.6
151.09940	3.0
151.11154	55.1
153.09059	1.8
153.12755	1.7
157.10094	12.2
159.10399	1.6
159.11661	5.3
161.09625	5.6
161.13237	1.8
163.07448	1.8
163.11113	3.4
165.08972	1.8
165.12654	2.3
167.07094	2.3
169.12216	14.8
171.11610	3.1
173.13177	2.7
175.11160	11.2
175.14847	3.5
179.10585	4.1
187.14787	1.9
189.12709	1.6
189.16324	2.1
191.14354	2.5
193.12228	42.9
197.11610	1.7
199.14836	2.1
211.13255	58.1
211.15256	3.3
212.13649	1.8
215.12723	4.2
253.14316	98.4
254.14497	2.1
267.15881	11.9
271.15344	8.9
285.16974	2.1
326.06854	1.7
371.22275	1.9
427.28119	2.8
445.29422	5.8
463.26550	16.0
471.59534	2.1
481.27817	90.7
482.27551	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.2
51.02383	0.6
53.00311	0.2
53.03938	0.6
55.01863	0.7
57.03424	0.7
61.02914	0.2
68.99795	0.2
69.03423	3.5
71.04967	0.8
71.62179	0.3
73.02915	0.3
79.01851	4.7
79.05475	0.3
81.03407	5.4
81.07028	0.4
83.04971	0.7
85.02898	2.4
85.06530	0.3
91.05467	0.3
93.06974	0.2
94.24280	0.2
95.04919	0.4
97.02883	4.8
99.04433	0.9
103.03899	0.6
103.05433	0.5
107.01318	1.5
107.04907	0.3
107.08598	0.4
109.02876	3.1
109.06477	0.4
111.04442	0.6
115.05457	0.3
119.04965	0.4
122.03616	0.2
123.04390	0.3
125.02339	3.7
125.05954	0.2
127.03902	4.0
127.07572	0.3
129.05490	0.3
131.04927	1.0
133.02829	0.5
135.11671	0.3
136.07559	0.4
137.05959	7.0
139.03905	0.4
140.07095	0.3
141.06966	0.4
141.37764	0.2
143.03381	7.9
145.04930	0.8
145.06477	0.3
145.08600	0.7
147.04402	0.9
149.05978	0.9
151.03903	3.4
151.07559	0.4
153.01813	100.0
153.02802	4.2
154.02147	1.8
155.07027	0.4
157.06419	0.3
159.04370	0.3
160.05159	0.3
161.05986	0.5
163.07465	0.9
164.07027	0.6
165.05464	0.4
166.05016	0.5
166.06293	0.2
167.03404	1.5
167.06763	0.3
169.05141	0.3
169.06473	1.1
171.02879	4.3
171.04196	0.2
173.06091	0.2
175.07544	0.9
177.05426	2.1
178.99924	0.2
179.06958	0.8
181.04950	0.3
181.06416	0.4
186.06703	0.2
187.07518	0.9
189.05516	0.2
191.06996	1.7
197.05943	0.8
201.05458	0.4
201.09091	0.9
203.06949	1.7
205.08620	0.4
214.06363	0.2
215.06978	1.2
217.04965	0.3
219.22543	0.2
229.08588	3.0
233.08046	4.9
241.05566	0.2
242.08154	0.6
245.08121	0.6
247.09705	0.2
255.05031	0.6
257.08023	2.4
275.09210	1.1
278.10217	0.4
293.10135	0.6
297.06012	4.5
301.11478	0.3
304.08151	0.2
315.07028	2.2
319.04337	1.0
319.12811	1.5
323.04056	0.4
403.14938	0.2
421.15808	0.3
434.09491	0.2
445.10498	0.2
463.17523	0.6
481.18005	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.3
51.02374	0.8
53.03926	0.6
55.01862	0.7
57.03416	0.5
67.05476	0.5
69.03072	0.3
69.03422	3.6
71.04979	1.2
71.61182	0.4
73.02900	0.3
75.05566	0.3
79.01843	5.5
79.05482	0.3
81.03408	4.9
81.07021	0.3
82.29420	0.2
83.04976	0.6
84.04496	0.2
85.02420	0.3
85.02895	3.1
85.06534	0.3
91.05489	0.4
93.07036	0.4
95.01349	0.3
95.04964	0.4
95.08585	0.3
97.02883	4.4
99.04436	0.6
103.03919	0.4
103.05440	0.4
107.01297	1.5
107.04910	0.4
107.08551	0.3
109.02866	3.3
111.04430	0.7
111.08071	0.3
115.03881	0.4
115.05428	0.2
117.07014	0.4
119.04885	0.3
121.06523	0.4
122.03596	0.3
122.05998	0.3
123.04375	0.5
125.02348	4.2
127.03901	3.8
127.07553	0.4
131.04887	1.2
131.07053	0.2
133.02844	0.4
135.04369	0.3
136.07549	0.3
137.05960	6.2
138.05443	0.3
139.03862	0.8
141.06973	0.6
143.03383	8.9
145.04950	0.7
145.06448	0.5
145.08580	2.2
147.04370	0.6
149.06009	1.0
151.03883	4.1
151.05048	0.3
151.07538	0.3
151.15878	0.2
153.01808	100.0
153.02800	4.3
153.60059	0.2
154.02132	1.1
155.06952	0.2
160.05147	0.4
161.05902	0.5
163.07494	1.0
164.07037	0.4
165.05455	0.5
166.04984	0.5
166.06258	0.8
166.08585	0.3
167.03363	0.7
167.06793	0.4
169.05096	0.2
169.06474	0.9
171.02864	4.1
171.04210	0.2
172.03206	0.3
173.05975	0.4
175.07465	1.1
176.04608	0.3
177.05438	2.8
179.07048	0.6
181.06529	0.2
183.04504	0.3
183.06772	0.2
187.07486	0.9
188.03786	0.4
189.05411	0.2
191.07011	2.1
195.02910	0.4
197.05980	0.8
199.07521	0.2
201.09149	0.6
203.06979	2.5
205.08566	0.4
212.07062	0.2
213.03824	0.3
215.06943	1.6
217.08673	0.3
227.11800	0.2
229.08568	3.6
233.08063	5.1
237.03864	0.2
242.08046	0.5
244.48729	0.2
245.08032	0.5
247.09781	0.3
255.05048	0.5
257.08023	2.1
260.09189	0.3
275.09082	1.0
278.10251	0.5
283.10843	0.4
293.10217	1.4
297.06006	3.3
301.11804	0.5
315.07028	1.9
319.04559	0.7
319.09515	0.2
319.12549	1.0
368.80826	0.2
445.11063	0.3
463.17117	0.7
481.18140	2.0
481.24841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01625	0.9
55.01865	11.5
55.05486	1.9
56.98379	1.1
57.03429	20.9
57.07056	2.8
59.04984	2.9
61.02686	0.9
61.02921	9.4
62.52329	0.9
63.33227	1.0
67.05507	5.3
69.03422	30.6
69.07058	57.8
69.28630	6.8
69.29060	4.7
70.07410	1.1
71.01328	3.6
71.04968	1.7
73.02911	31.6
79.05468	1.5
81.03414	4.9
81.07049	21.4
82.07369	1.4
83.08621	1.4
85.02894	61.2
85.06509	1.0
87.04441	4.2
91.03931	3.1
91.05424	1.1
93.07019	2.2
95.04968	2.1
95.08596	5.7
97.02882	46.2
97.59666	0.9
98.21535	1.6
99.04420	2.9
103.03905	3.3
107.08561	1.8
109.02855	5.8
109.06498	2.9
109.10144	11.1
115.03922	29.4
121.10123	1.9
123.11691	100.0
127.03899	21.1
127.07550	1.0
130.78242	0.9
133.04947	39.2
133.05968	2.0
133.10139	1.7
137.05939	1.4
145.04936	25.0
147.11703	1.7
150.07539	1.7
151.11160	73.6
163.05991	8.1
168.35504	0.9
169.12218	12.7
193.12279	1.2
199.05997	1.7
210.96674	1.0
223.05946	4.3
229.14374	1.8
241.07072	5.2
247.24416	1.1
259.08054	4.4
277.08942	1.3
281.40894	1.0
283.15344	15.0
283.36237	1.1
313.16434	5.8
318.06650	1.2
397.32626	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0972
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03922	0.4
55.01874	0.4
57.03416	0.9
61.02905	1.5
62.63884	0.3
68.21591	0.4
68.99781	1.5
69.03424	3.5
69.53799	0.6
69.54202	2.0
73.02904	0.6
81.03390	1.7
85.02892	9.8
97.02888	3.6
99.04429	0.5
105.06991	0.6
109.02850	1.3
109.69846	0.3
111.00793	2.3
113.42470	0.3
114.70903	0.3
119.59315	0.3
127.03939	2.4
137.02303	1.6
137.05943	1.8
145.04944	2.0
153.01802	9.1
161.05917	0.4
165.01794	3.0
166.02522	0.5
177.05389	0.6
179.03392	1.2
183.02832	0.8
189.05429	1.0
195.02893	0.7
199.03830	0.4
203.03246	0.4
207.02838	0.7
217.04900	2.6
219.02827	0.3
245.04436	4.6
255.02841	0.7
264.25409	0.3
272.03278	0.5
273.03897	3.7
290.04028	0.9
290.17761	0.3
297.11206	0.5
301.03336	0.9
319.04449	100.0
320.04855	2.3
361.05429	0.4
400.85260	0.3
454.77347	0.3
481.10059	0.4
497.35822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
55.01855	1.6
55.05503	1.8
56.05016	0.8
57.03419	3.9
61.02910	2.6
65.03938	1.7
67.05485	2.2
69.03421	9.7
69.07046	1.8
71.04971	2.2
71.62302	1.2
73.02892	1.3
79.05478	2.9
80.05004	28.5
81.03395	5.5
81.07040	3.9
83.04983	1.4
85.02894	26.5
85.06522	1.7
86.09695	1.5
87.04456	1.7
91.03974	1.2
91.05464	4.3
91.09215	0.6
93.03397	2.2
93.07030	4.4
95.04952	1.9
95.08595	3.2
97.02875	8.8
97.06497	1.8
99.04431	2.8
99.08034	0.8
103.05454	1.9
105.06990	3.5
106.04154	2.0
106.06525	4.4
107.04956	3.6
107.08595	2.2
108.04465	100.0
108.82445	0.7
109.02873	3.7
109.06510	1.9
109.10129	2.0
111.04408	1.3
115.03927	0.9
119.04896	1.4
119.08570	1.3
120.04454	7.3
121.06471	5.6
121.10128	1.8
122.06062	3.4
123.04445	1.2
123.08041	2.1
124.12032	0.8
125.00005	1.2
125.05988	1.7
127.03900	6.0
131.04927	3.5
131.08601	1.2
132.04463	1.9
132.05695	2.1
133.06465	1.9
134.05992	29.6
135.08035	1.1
137.05936	3.5
137.09584	1.2
145.04961	4.1
145.06439	0.7
145.08562	1.3
145.10139	1.3
146.05991	8.5
147.08034	0.8
149.05957	7.2
149.09654	1.5
150.05479	2.6
151.07524	1.2
153.01819	1.3
153.05498	0.7
153.09077	1.6
154.06229	1.1
155.06999	1.6
159.08015	0.9
160.05214	1.0
161.05916	3.7
161.09602	1.2
163.07521	2.7
163.11163	2.8
164.07043	14.6
164.91643	0.8
165.09062	1.7
167.07014	11.7
167.10721	0.7
169.08614	2.4
177.05417	5.7
177.09059	1.2
179.07001	1.3
181.08545	4.9
181.12245	0.8
182.09470	1.1
183.10162	0.8
184.07283	7.0
185.74036	0.7
191.06999	20.6
191.10674	1.2
192.07776	11.8
193.08572	2.4
205.08327	0.8
209.08054	43.7
210.08717	1.2
227.12703	3.5
252.08754	0.9
268.09778	3.9
283.15439	2.7
288.12231	5.6
300.12183	8.8
303.04852	1.1
304.05301	2.0
309.13260	0.8
317.06686	1.4
318.07394	3.9
318.13312	31.9
319.13809	1.1
353.16022	1.7
360.14597	0.7
408.00208	0.8
455.38672	0.8
462.16632	2.6
470.54208	0.9
480.18088	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03933	0.6
55.01861	0.4
55.05506	0.3
57.03417	0.9
61.02910	0.4
62.06083	0.2
69.03422	3.9
70.06580	0.4
71.04988	0.6
73.02898	0.6
76.07601	0.2
79.01827	1.9
79.05471	0.4
81.03409	7.3
82.06586	0.2
83.04948	0.3
85.02420	0.3
85.02898	4.2
87.04443	0.3
89.06005	0.2
91.05475	0.3
93.07018	0.3
95.04955	0.5
95.08600	0.3
97.02878	6.9
99.04467	1.0
100.98613	0.2
107.01318	1.3
107.04952	0.5
109.02870	6.1
111.04406	0.4
113.05960	0.3
115.03825	0.3
119.01957	0.2
121.02843	1.5
121.06475	0.6
123.04553	0.2
125.02340	3.3
126.09169	0.6
127.03901	8.4
133.04971	0.4
137.05975	0.7
138.09116	1.9
139.03923	0.3
143.03374	4.1
145.04988	1.5
147.04372	0.3
149.05949	0.7
151.03896	0.5
152.07047	0.3
153.01810	100.0
154.02139	1.5
154.08617	1.6
161.06064	0.2
164.06993	0.2
165.05528	0.2
166.04945	0.4
166.08612	4.0
167.03355	0.6
167.07033	0.4
169.04887	0.3
171.02867	15.2
182.08080	0.9
184.09779	0.4
188.03673	0.2
195.06555	0.3
201.09291	0.2
203.07005	0.3
233.04274	0.2
237.03947	0.3
243.57684	0.2
255.04955	0.2
279.05014	0.6
297.06018	9.8
298.06042	0.3
301.12329	0.3
303.01437	0.3
304.01431	0.2
310.12881	0.3
315.07056	20.9
316.07492	0.3
319.04529	0.6
326.12363	0.4
407.08063	0.2
480.17664	3.6
481.17914	0.3
484.84882	0.2
502.64465	0.2
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	Isovitexirone
Peak:m/z	Relative Intensity
53.03941	1.0
55.01859	2.0
55.05508	6.4
57.03415	2.3
57.07047	1.2
59.04983	1.0
65.03941	0.8
67.05496	13.9
69.03408	3.4
69.07060	7.6
69.66527	5.4
71.04981	2.5
73.02879	1.1
79.05479	11.1
81.03397	3.0
81.07043	35.4
83.04961	3.7
83.08596	4.1
85.02898	4.2
85.06529	26.0
91.05476	9.4
93.07028	16.5
95.04951	5.1
95.08591	17.7
97.02853	1.6
97.06507	4.8
97.10164	1.7
97.76991	0.8
99.04439	7.4
99.08075	2.3
105.07011	11.6
107.04967	1.0
107.08576	29.2
108.08852	1.1
109.02849	2.4
109.06503	19.2
109.10136	13.1
111.08074	5.5
113.05975	1.1
117.06992	1.5
119.04919	0.9
119.08564	20.4
120.08881	0.9
121.06507	3.0
121.10126	17.2
122.10448	1.9
123.08028	4.2
123.11689	8.9
125.09644	5.1
125.10467	0.7
127.03915	2.1
127.07533	21.8
127.11156	0.9
129.07025	1.4
131.08540	6.2
132.20836	0.9
133.06506	1.3
133.10100	15.9
135.08035	6.3
135.11688	6.5
137.05959	8.1
137.09615	4.6
137.13210	0.9
139.07559	2.8
142.07768	0.9
143.08549	2.5
145.10098	11.6
147.07997	2.4
147.11668	16.3
149.09615	4.5
149.13225	7.6
150.13574	2.4
151.07523	2.7
151.11124	2.4
153.01788	1.4
153.09007	1.5
153.12723	0.9
155.06998	2.6
155.08499	1.8
157.10078	7.6
159.08084	1.8
159.11684	14.8
161.05949	1.4
161.09593	3.6
161.13214	6.6
163.07489	1.5
163.11200	4.1
163.14752	1.3
165.09085	4.8
165.12712	9.4
166.09454	1.1
167.07033	3.6
167.08348	1.0
167.10738	1.1
167.14423	0.9
168.09273	1.0
169.10130	1.9
171.11703	6.9
173.09583	2.0
173.13239	14.7
175.11156	4.7
175.14827	5.6
177.09117	1.4
177.12685	4.0
179.10605	4.2
179.14206	1.2
180.09286	1.0
181.08583	1.3
183.11617	4.3
183.13841	1.0
185.09581	1.2
185.13246	4.3
187.11163	3.1
187.14781	7.4
189.09012	1.0
189.12741	3.6
189.16370	3.9
191.10611	1.2
191.14195	2.0
193.12257	2.3
193.15919	1.0
195.10117	1.7
195.11723	1.2
195.13837	1.0
197.11661	1.2
197.13275	3.2
199.09698	1.9
199.14731	6.3
201.12761	3.4
201.16330	1.8
203.10712	0.9
203.14285	3.3
205.12207	2.2
205.15883	1.1
207.10124	1.5
209.13281	2.1
211.09460	0.8
211.14812	3.1
213.12840	1.1
213.16307	6.0
215.14320	2.2
215.17914	8.8
217.15941	2.0
219.13699	2.0
221.15375	1.6
223.14882	2.0
225.11133	2.6
225.16414	1.8
227.17944	3.8
229.12262	1.6
229.14360	2.9
229.19499	10.2
231.13782	1.7
231.17325	4.9
233.15289	2.1
243.13831	1.4
243.21115	3.8
245.19006	1.4
247.16943	2.7
247.20570	2.9
249.18475	1.1
251.17865	1.0
253.19603	2.8
255.17459	1.0
257.15497	1.0
259.16922	1.1
265.14319	1.4
271.20499	7.9
281.24722	1.7
285.18436	0.8
289.21582	6.6
299.20029	1.8
303.04895	8.6
303.15829	0.9
305.21204	1.0
306.21826	1.9
307.22672	12.3
311.20068	1.0
317.06512	4.0
337.16599	1.6
337.25034	1.1
362.05185	0.8
365.24823	1.1
367.22873	1.1
371.22180	1.4
379.26379	2.3
381.27750	1.7
383.25943	1.1
389.24313	2.3
397.27243	3.7
399.28802	2.5
401.26968	1.7
407.25729	6.6
415.28473	3.4
417.30115	1.5
425.26724	17.2
443.27914	18.5
461.28934	20.0
479.29987	100.0
480.30371	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	479.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01862	3.3
55.05254	1.8
55.05503	21.4
57.03418	6.6
57.07067	2.5
59.04984	1.3
65.03941	1.1
67.05492	53.5
69.03407	3.0
69.07056	24.8
69.38260	5.7
69.38690	5.2
71.04970	6.0
76.45673	1.4
79.05482	36.3
81.03411	9.3
81.07041	100.0
83.04967	9.9
83.08604	15.3
85.02901	4.4
85.06514	6.6
91.05463	32.3
93.07028	46.1
93.07618	2.5
95.04950	9.7
95.08595	23.5
96.26778	1.2
97.06516	8.9
97.10159	2.0
99.04369	0.9
99.08079	5.7
103.96791	1.2
105.07014	30.7
107.04908	2.1
107.08572	26.0
109.06485	6.1
109.10139	4.1
111.08059	7.1
113.05984	1.7
117.07005	5.1
119.04925	1.2
119.08568	21.7
121.10120	24.9
123.08044	2.6
123.11668	19.9
125.09597	2.1
127.07518	2.4
129.06985	2.3
131.08548	7.4
133.06461	1.6
133.10121	7.0
135.08112	1.5
135.11671	5.2
137.09508	1.5
141.08983	1.4
145.10031	1.5
147.04384	1.1
147.11653	44.2
149.09622	1.6
149.13231	21.1
157.10190	2.4
159.11642	8.6
165.12720	23.6
175.11197	3.5
177.12726	3.4
183.13818	3.5
189.11176	1.2
193.12204	9.1
195.13766	7.9
211.13235	11.2
213.14828	2.6
229.14261	5.9
267.15866	39.0
269.17401	3.3
303.05045	4.5
387.25064	1.4
461.28683	4.9
479.29968	95.8
480.30310	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	479.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.0
55.01867	4.5
55.05500	19.5
57.03419	9.7
57.07052	1.4
59.98974	1.1
65.03930	2.5
67.05493	53.0
69.03423	2.0
69.06714	1.4
69.07060	17.5
71.04977	8.8
77.03901	0.9
79.05480	42.4
79.75539	0.9
81.03405	33.1
81.07041	68.1
83.04968	12.1
83.08604	21.1
85.02891	19.1
85.06526	4.6
91.05466	32.7
93.07030	44.1
93.07520	0.7
95.04953	26.7
95.08592	18.5
97.02825	1.6
97.06512	8.8
97.10191	4.4
99.08070	3.3
99.93446	0.9
105.04506	1.2
105.07017	21.9
107.04963	5.2
107.08578	23.8
109.06493	6.3
109.10136	5.0
111.04419	1.6
111.08073	11.3
113.05970	1.7
115.05458	1.6
117.06986	6.6
118.98285	0.9
119.08562	13.8
121.06491	2.8
121.10123	16.5
123.08030	2.7
123.11678	2.5
125.09607	2.2
129.06981	9.0
131.08548	15.3
133.06473	1.8
133.10121	12.6
135.08023	2.6
135.11678	5.3
137.09576	1.7
142.07776	2.6
143.08588	1.1
145.10056	2.0
147.08109	2.1
147.11652	10.6
149.09633	5.6
149.13231	20.7
151.07339	1.1
157.10114	10.3
159.11646	8.5
163.11148	1.6
165.12683	2.7
173.13251	1.1
175.11137	9.8
177.12701	6.4
189.11258	1.2
193.12207	37.7
195.13802	8.3
197.06625	1.1
211.13252	47.5
213.14789	1.3
219.13821	1.0
267.15820	10.5
269.17505	7.9
270.53470	0.9
289.18170	0.9
303.05032	2.6
341.24588	1.2
343.22610	2.5
351.23157	1.6
361.23703	1.0
369.24295	3.4
373.59354	1.2
387.25107	6.0
461.28882	14.7
479.29959	100.0
480.30377	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	479.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
54.14775	1.1
55.01857	4.6
55.05503	20.5
57.03433	10.4
57.07065	3.6
61.02929	1.4
62.06062	2.9
65.03922	3.2
65.98113	1.2
67.05495	58.4
68.05818	3.2
69.03414	4.3
69.07053	22.2
70.87939	3.9
71.01318	1.7
71.04962	7.0
73.02910	2.1
79.05482	48.0
80.05831	1.3
81.03408	28.1
81.07047	72.3
82.07382	2.8
82.63472	1.3
83.04974	13.9
83.08606	22.0
85.02887	20.9
85.06538	4.6
91.05469	47.7
92.62807	1.5
93.07029	52.1
93.10333	1.3
95.04955	20.1
95.08588	27.9
95.09155	2.2
97.02873	2.0
97.06520	10.0
97.10138	5.5
99.04413	1.4
105.04515	1.7
105.07013	27.8
107.04960	6.5
107.08577	28.8
109.06512	7.0
109.10134	10.4
110.10471	1.9
111.04442	1.6
111.08066	11.0
114.01302	1.3
115.05492	2.1
117.06996	8.7
119.08568	19.0
121.06454	3.1
121.10126	20.6
123.08075	4.2
123.11746	6.6
125.09613	3.3
129.06998	9.3
131.03360	1.9
131.08560	14.9
133.06494	2.6
133.10100	19.3
135.08017	3.2
135.11691	9.4
137.02267	2.3
137.09599	1.5
142.07762	1.8
145.10112	5.9
147.08063	3.3
147.11661	12.3
149.09584	7.1
149.13252	21.0
151.11182	1.9
153.01804	2.1
157.10132	10.0
159.11687	9.5
161.13231	2.8
163.11180	1.8
165.09090	1.4
165.12738	3.8
171.11588	1.6
173.09641	1.5
173.13191	2.2
175.11165	10.0
175.14929	1.6
177.12711	5.0
183.85748	1.5
185.13249	2.1
189.11217	1.5
193.10486	1.1
193.12198	33.0
193.13831	2.4
195.13759	11.1
197.13181	2.0
207.13658	1.8
211.13245	42.4
217.15752	1.6
227.12741	1.7
229.05061	3.3
255.15833	1.8
267.15851	10.7
269.17557	6.8
303.01517	3.2
303.04919	47.0
304.05362	4.6
306.27957	3.0
307.28198	20.1
317.06549	4.5
338.27536	8.5
343.07797	1.3
351.98755	1.6
369.23917	3.1
387.25235	3.1
443.28015	2.8
461.28693	18.8
469.12088	1.4
479.29974	100.0
480.29932	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81285	2.0
53.03932	3.2
55.01858	6.3
55.05512	14.6
57.03427	4.4
57.84045	1.8
58.47030	2.1
59.04997	2.6
63.06543	1.9
67.05497	24.7
68.99785	3.2
69.03404	6.3
69.07074	12.4
69.07392	2.0
70.05178	10.8
71.04968	2.2
77.03895	2.6
79.01839	3.1
79.05479	36.6
81.03414	10.9
81.07041	40.5
81.07735	2.0
82.07352	1.9
83.04975	17.0
83.08599	7.2
85.02879	6.0
85.06516	7.7
90.32162	2.4
90.57595	2.1
91.05466	29.9
93.07027	28.6
95.04963	12.9
95.08591	19.0
97.02891	4.9
97.06519	8.8
97.10142	5.6
98.10495	2.2
99.04409	2.2
99.08103	2.1
103.05448	7.8
104.06232	5.2
105.03358	2.2
105.07007	40.4
107.04922	13.8
107.08557	17.0
109.02869	2.3
109.06507	12.1
109.10137	8.6
111.04439	5.5
111.73636	2.3
113.05965	2.1
115.05411	4.2
117.07002	8.4
119.04916	4.9
119.08537	11.9
121.06482	13.8
121.10133	11.6
123.04414	4.3
123.08018	3.8
123.11667	6.2
125.02320	6.6
125.05923	2.3
125.09564	3.2
129.06970	5.1
131.04878	10.2
131.08525	7.9
132.05675	4.4
133.06476	25.2
133.10059	6.9
135.04425	2.3
135.08020	5.9
135.11700	4.7
137.02310	5.1
137.05965	7.5
137.09579	4.4
139.03871	3.9
139.07594	2.1
141.06941	3.0
143.08502	3.3
145.06467	2.4
145.10109	6.1
147.04362	10.3
147.08055	3.4
147.11656	8.7
149.05930	10.4
149.09622	4.9
149.13237	3.9
151.03848	2.6
151.07526	17.4
152.06136	3.1
153.01788	18.7
153.06941	3.4
155.04945	3.6
155.08551	4.5
157.10139	5.8
159.04417	5.6
159.11661	4.9
160.05164	5.0
161.02367	3.2
161.05943	35.5
161.09589	2.4
161.13150	2.8
163.03851	4.6
163.07532	4.8
163.11162	2.9
165.01743	10.2
165.05463	4.6
165.07010	7.0
165.09081	15.2
165.12689	2.5
167.03397	6.3
167.07150	4.2
167.08559	7.8
170.07942	2.4
171.07994	5.4
171.11610	3.2
173.13225	4.6
175.11168	5.0
177.01813	5.5
177.05437	6.9
177.06902	4.3
177.09009	3.2
178.06261	2.8
179.03424	4.3
179.06993	7.0
179.08514	4.6
181.01303	31.8
181.06499	4.1
183.02896	3.4
183.04346	2.8
183.07968	4.9
187.03932	3.6
188.04686	2.3
189.01857	2.6
189.05412	8.2
189.12836	2.4
191.03331	5.9
191.06924	4.7
191.10620	3.8
193.01297	18.9
193.06470	8.7
193.08347	4.2
193.12239	4.4
195.02820	2.5
195.08014	18.4
196.05983	2.1
197.05823	3.4
198.07567	2.0
202.99706	4.4
205.01303	5.7
205.04900	6.9
205.06569	10.9
205.12314	3.2
207.02791	5.1
207.06374	6.1
207.08041	4.9
209.00787	22.6
209.05952	3.0
211.02301	8.1
211.07573	11.8
211.13162	3.0
213.08992	2.8
215.03406	2.5
217.01297	4.9
218.02051	2.5
219.02895	5.2
219.06548	3.5
219.13875	4.2
220.05168	2.2
220.07306	2.5
221.00856	2.3
221.05916	19.3
221.07954	4.9
223.02321	17.6
223.07480	18.0
227.03342	4.4
227.06958	3.3
229.04938	6.3
231.02771	3.1
233.05931	9.7
235.02324	15.4
235.07539	12.6
239.06894	23.4
240.08000	2.4
241.08513	7.9
243.02826	2.4
245.00865	6.2
245.04285	2.3
247.02335	4.2
249.00311	16.1
249.05717	13.1
250.06360	5.0
250.60350	2.6
251.07025	21.5
253.04927	4.5
253.08624	6.3
254.05852	3.6
255.02855	8.0
255.06487	4.4
257.04413	31.7
257.07312	2.8
257.08154	3.0
263.01758	14.0
267.06479	45.6
268.03784	3.0
268.07224	4.1
269.04944	4.3
269.08047	25.3
271.02454	4.7
271.05792	3.6
272.07520	2.9
277.04938	13.3
279.06451	21.5
281.04675	4.6
281.08044	6.2
282.05032	3.3
283.02316	17.1
283.05670	3.6
285.04190	3.5
285.07623	7.0
291.01346	13.9
293.17252	3.1
295.05945	81.9
296.06885	7.2
297.04260	2.2
297.07498	47.7
299.05640	3.1
299.09155	6.1
301.03342	3.6
303.01535	3.8
303.04922	31.8
305.04630	9.6
307.06006	21.0
308.02972	5.5
309.03943	4.0
313.07019	39.2
313.10529	3.4
315.01315	3.3
315.05069	4.2
315.08640	5.2
317.06342	7.0
323.01611	5.2
323.05435	100.0
324.05991	5.3
325.03406	4.4
325.07004	45.2
327.04971	3.8
327.08618	8.7
329.10107	5.9
333.03845	3.0
335.05380	3.3
339.08627	4.0
341.06512	80.3
343.08099	12.3
351.04947	97.5
353.06317	5.4
355.08093	25.6
357.09555	13.9
359.07568	9.4
368.22559	2.8
369.06012	77.3
369.23828	4.7
371.07370	2.6
373.09122	12.1
379.04340	8.7
383.03079	2.9
383.07571	36.2
386.23990	5.1
387.06982	19.6
387.11310	3.1
387.24597	6.9
397.05399	21.3
401.08615	33.1
403.10239	2.6
405.25500	3.1
411.06995	10.9
415.06485	9.3
419.09387	3.4
419.14343	5.5
429.08087	11.2
443.27618	2.7
460.27887	3.7
461.15311	7.0
461.29037	11.8
461.35226	2.1
478.28510	3.1
479.16339	17.1
479.29807	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	479.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.01855	8.0
55.05503	14.6
57.03434	2.2
59.04995	3.1
63.05896	1.9
63.39441	1.9
67.05492	18.3
68.99783	3.3
69.03408	6.2
69.07044	10.0
70.87260	3.7
70.87592	3.7
71.04960	2.9
79.01824	3.2
79.05487	28.4
80.96890	1.9
81.03406	5.3
81.07046	28.8
81.58154	1.8
83.04967	13.4
83.08612	6.8
85.02882	6.3
85.06535	4.9
91.05463	26.4
93.07026	26.7
95.04955	12.5
95.08588	17.2
97.02876	6.4
97.06486	2.3
97.10147	6.1
100.11253	3.0
103.05446	8.0
104.06261	3.8
105.03391	4.2
105.07020	44.4
107.04934	14.6
107.08580	16.3
109.02852	3.4
109.06493	8.0
109.10129	10.4
111.04447	4.7
111.08064	4.0
115.05453	3.6
117.07003	6.0
119.04930	6.5
119.08557	10.7
121.06493	11.9
121.10123	8.9
122.83104	1.8
123.08042	6.1
123.11707	9.2
124.12064	1.8
125.02336	5.0
125.05985	2.7
125.09568	4.3
126.09977	2.2
127.11194	2.1
129.06975	5.6
131.04927	9.6
131.08565	6.2
132.05678	5.8
133.06483	24.4
133.10126	6.8
135.04344	3.1
135.07968	4.9
135.11647	4.1
137.02309	4.4
137.05948	9.1
137.09602	2.8
139.03838	4.7
139.07529	4.7
143.08528	3.3
145.06474	3.3
145.10078	5.9
147.04399	11.2
147.08022	3.6
147.11635	9.4
149.05951	8.9
149.09550	4.5
149.13220	2.4
151.07538	19.5
152.06200	4.1
152.92758	1.9
153.01788	15.4
153.06882	3.1
155.04868	4.4
155.08534	5.4
157.10139	3.4
157.95235	2.5
159.04372	4.8
159.11749	3.8
160.05139	3.4
161.05948	32.4
161.09628	2.2
161.13232	2.2
163.03836	5.1
163.07494	6.4
163.11130	2.9
165.01765	9.2
165.05522	2.9
165.06960	8.8
165.09074	15.5
165.12744	2.2
167.03352	2.4
167.06998	6.0
167.08522	9.0
169.06404	3.0
169.07693	4.1
171.11711	2.2
173.13298	2.8
175.11172	4.1
177.01854	3.4
177.05400	8.4
177.06956	6.8
177.09140	2.2
178.07713	3.4
179.03387	4.2
179.07021	4.5
179.08516	4.8
181.01268	28.6
181.06615	2.4
182.15352	3.5
183.02815	4.5
183.04282	4.0
183.08060	5.2
183.11530	2.4
185.09557	3.4
186.81119	2.3
187.03876	4.7
187.07472	2.2
187.14804	2.3
189.01819	4.2
189.05396	10.0
189.12685	3.3
191.03371	8.6
191.07002	5.5
192.07709	3.6
193.01328	18.6
193.06450	6.6
193.08485	4.2
195.02745	3.0
195.07990	17.5
197.05888	3.7
201.05290	3.1
202.99783	4.2
205.01340	4.6
205.04901	6.1
205.06490	7.0
207.02789	4.8
207.06401	4.0
207.08055	5.0
209.00752	16.5
209.05898	2.4
210.14793	2.5
211.02347	8.9
211.07472	11.2
215.03447	2.7
217.01308	6.5
217.15800	2.2
219.02937	3.0
219.06502	3.8
221.06026	17.9
221.07990	4.5
223.02362	13.7
223.07462	19.8
225.03864	3.1
225.06070	1.9
225.09061	4.0
226.06755	3.9
227.03389	3.0
227.07057	2.6
229.04915	8.9
230.99236	2.4
231.02843	4.1
233.05957	7.9
233.15231	2.6
235.02312	18.5
235.07532	9.8
239.06953	21.7
241.04799	2.9
241.08572	7.1
242.05727	2.6
243.02962	2.4
243.06569	3.7
245.00856	5.3
245.04312	2.5
247.02377	4.5
249.00284	16.2
249.05702	15.0
250.06271	3.2
251.07034	28.5
252.04227	2.6
253.04956	4.7
253.08772	2.5
254.05754	3.0
255.02904	5.3
255.06538	3.9
257.04428	29.2
257.07294	2.4
257.08163	2.5
263.01801	15.9
263.06903	2.9
267.06451	41.0
268.07327	7.1
269.04626	4.2
269.08041	24.1
270.08945	2.7
271.02252	4.1
271.06021	4.4
277.05008	9.7
279.06442	26.1
281.04477	5.7
281.08002	5.3
281.17508	4.1
282.05023	3.0
282.17737	3.7
283.02301	14.2
283.05930	6.0
285.07556	6.4
286.08826	2.7
291.01352	14.3
295.05981	69.9
296.06741	7.1
297.04245	3.5
297.07529	48.0
298.08109	3.5
299.05759	2.2
299.09064	7.3
301.03439	4.0
303.04990	18.1
305.04266	8.8
307.05933	21.8
308.03070	3.2
309.03769	4.3
313.07043	32.4
313.10602	4.5
315.05130	4.0
315.08569	6.3
317.06610	5.7
317.21143	3.0
323.05463	100.0
324.05865	3.7
325.06992	37.5
327.08676	9.4
329.10144	5.9
341.06506	67.7
342.06775	2.5
343.08011	10.2
351.04938	85.0
353.06531	7.8
355.08011	24.2
357.09628	10.4
359.07669	4.6
368.22980	2.2
369.05988	74.3
370.06229	3.6
373.09253	10.9
379.04431	8.6
383.07516	36.1
386.23859	3.9
387.07077	17.4
387.24600	4.3
397.05371	19.9
401.08685	29.0
411.07065	9.9
415.06378	10.8
419.09424	4.1
419.14371	4.4
429.08170	11.2
433.15842	2.6
446.62488	2.1
461.15390	6.1
461.28900	11.3
478.28839	2.9
479.16431	17.0
479.30194	16.0
483.62140	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1177
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
52.82051	0.2
53.03927	0.4
55.01853	0.4
57.03420	0.8
61.02909	1.0
62.35643	0.2
67.45792	0.2
69.03418	2.8
69.33378	1.0
69.33803	1.3
71.04967	0.3
73.02899	0.5
81.03410	1.7
85.02894	9.7
87.04468	0.3
91.03916	0.5
92.02628	0.6
93.03398	0.8
97.02885	3.1
99.04469	0.5
109.02861	1.0
121.02834	0.5
126.03127	0.3
127.03901	1.8
137.29045	0.2
139.03868	0.5
145.04918	1.9
151.03868	0.5
153.01797	6.0
153.02963	0.4
163.03899	0.3
165.01807	0.3
201.05418	0.3
203.03300	0.4
217.04890	0.8
218.05777	0.4
228.04178	0.9
229.04926	2.4
245.04471	0.8
246.05142	1.4
256.03778	0.3
257.04388	1.6
260.03152	0.2
273.03909	1.3
274.04703	3.1
284.03204	0.2
285.03876	3.9
302.04166	10.5
303.04736	0.4
307.33035	0.2
317.06516	100.0
317.70276	0.2
318.06900	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0813
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
50.01653	0.1
55.01859	0.4
57.03427	1.3
57.65128	0.1
65.03925	0.3
67.01859	0.3
67.05477	0.2
68.87470	0.0
68.99777	0.9
69.03419	0.5
71.01344	2.0
71.35258	0.1
72.70901	0.1
73.02906	3.7
75.04467	0.4
79.05453	0.1
81.03397	0.3
81.07043	0.1
83.01333	0.3
85.02891	9.8
87.00819	0.1
91.05447	0.1
93.03394	0.4
95.01317	1.4
95.04942	0.4
97.02877	0.7
99.00806	0.6
101.02370	0.6
103.03924	0.7
105.03395	0.1
105.07045	0.1
107.04942	0.1
109.02845	0.5
110.03659	0.1
111.00783	0.9
111.04433	0.1
113.02349	4.1
117.01810	0.2
117.06988	0.1
119.04945	0.1
121.02842	1.1
121.10113	0.1
123.04373	0.3
127.03873	0.3
129.06950	0.1
131.03386	2.7
131.04819	0.3
133.02847	0.1
133.06496	0.2
135.04366	0.2
137.02321	3.8
137.05971	0.2
139.03949	0.1
139.11171	0.1
141.01810	1.7
145.02853	0.1
145.06456	0.3
149.02315	0.5
149.05923	0.1
151.03883	1.0
151.05064	0.1
153.01802	4.4
155.04877	0.2
157.06516	0.1
159.02869	2.3
159.04242	0.2
159.45097	0.1
161.05963	0.4
163.03886	0.7
163.07501	0.2
165.01816	2.2
166.02644	0.3
167.07010	0.1
171.02924	0.1
173.02411	0.1
173.05963	0.5
175.07510	0.1
177.05417	0.2
179.03348	0.2
181.01219	0.1
181.12209	0.1
183.02873	0.9
183.04405	0.4
187.03966	0.3
189.05559	0.1
189.08961	0.1
191.03297	0.2
191.06995	0.1
193.08589	0.1
195.02885	0.3
201.05435	2.0
203.06972	0.1
205.04907	0.2
207.02904	0.1
213.05498	0.1
215.03333	0.2
215.48735	0.1
218.05571	0.1
219.02979	0.2
219.06490	0.2
228.04176	0.2
229.04930	4.9
230.05254	0.1
239.03394	0.1
245.04340	0.1
246.05313	0.1
247.05949	0.9
257.04410	3.1
258.04782	0.1
273.03922	0.1
274.04709	0.9
275.05399	0.2
285.03918	1.4
286.04608	0.1
302.04205	0.2
303.04935	100.0
304.01761	0.1
304.05280	2.8
315.04889	0.2
345.05777	0.1
357.13065	0.1
461.06332	0.1
479.07965	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	478.2918
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03937	1.2
55.01848	1.3
55.05268	0.9
55.05503	10.9
57.03423	4.7
57.07049	1.8
62.06081	35.4
65.03918	1.0
67.05492	29.2
68.05816	1.3
69.07057	14.5
69.78838	6.1
70.42253	0.9
71.04954	1.0
79.05484	9.0
81.03394	1.5
81.07044	29.4
83.04951	3.0
83.08598	7.8
85.06525	1.7
91.05452	5.7
93.07036	14.0
95.04926	2.6
95.08590	19.3
97.06491	2.2
97.10136	3.7
98.06033	3.4
98.98463	8.2
99.08080	1.0
105.07022	4.9
107.04938	1.3
107.08565	8.0
109.06494	1.1
109.10125	6.1
113.26988	1.0
117.07006	1.0
119.08578	4.3
121.10093	5.0
123.08082	1.1
123.11685	3.4
124.01556	1.4
125.09602	1.3
131.08569	1.2
133.10092	2.5
135.11667	2.7
137.13225	1.6
142.02588	1.7
147.11636	2.5
149.13231	3.0
155.01003	5.1
161.13280	2.2
173.02100	2.3
175.14728	0.9
193.12190	1.4
193.19684	1.0
194.00186	0.9
198.05197	2.2
211.13199	1.0
216.06268	3.9
245.22630	2.5
249.18510	1.0
258.40967	0.9
263.23743	5.8
299.07333	1.0
303.04825	6.5
306.27853	45.8
307.28110	1.5
337.27310	100.0
338.27664	2.8
366.69666	0.9
386.24188	1.0
417.23877	1.2
460.28116	10.3
461.28909	1.0
478.28873	10.8
479.30005	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.292
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03942	0.9
55.01850	0.8
55.05505	9.6
57.03431	6.9
57.07063	1.9
62.06065	0.7
65.03930	1.1
65.67765	0.3
67.05495	21.5
68.05834	0.7
69.03437	0.3
69.07059	13.7
69.98101	2.0
71.04972	1.2
74.45851	0.3
75.52534	0.4
79.05479	7.6
80.05807	0.4
81.03400	1.3
81.07044	27.8
82.03735	0.5
82.07365	0.5
83.04971	1.0
83.08128	0.6
83.08604	7.4
84.08955	0.4
85.06523	0.9
91.05469	6.0
93.06461	0.6
93.07031	9.5
95.04933	1.2
95.08594	19.2
96.08921	0.7
97.02824	0.4
97.06500	2.0
97.10137	3.6
98.06007	1.0
99.04491	0.5
99.08081	0.6
105.07006	3.4
107.08575	5.5
107.74760	0.3
108.08910	0.6
109.06548	0.4
109.10141	8.2
110.10461	0.5
111.08050	0.7
111.11751	0.5
112.07600	0.5
117.06989	0.8
119.08554	3.6
120.08896	0.4
121.10124	4.2
123.11671	3.0
124.01551	0.5
125.09634	0.6
129.07042	0.5
131.08511	1.1
133.10103	3.3
134.10370	0.4
135.11714	2.2
136.12021	0.5
137.09616	0.5
137.13277	1.2
139.60493	0.4
147.11662	2.3
148.11992	0.5
149.13208	1.8
151.11157	0.7
151.14784	0.5
153.12767	0.6
154.84357	0.5
159.11661	1.1
161.13226	1.2
163.14844	0.6
165.12782	0.7
175.14792	0.7
187.14813	0.4
189.16351	0.6
193.12187	0.6
201.16280	0.4
211.13297	0.8
216.06323	0.7
245.22685	0.4
263.23666	0.8
267.15866	0.6
303.04871	1.8
306.27875	8.6
337.27307	100.0
338.27719	2.9
442.33853	1.0
460.28131	0.8
460.35101	1.4
478.28561	2.1
478.35260	0.6
479.30307	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30628	1.1
51.39516	1.1
53.03933	2.1
55.01860	2.1
55.05503	2.2
56.75467	1.3
57.03428	8.8
59.04966	2.2
60.04489	1.9
61.02910	1.4
65.03922	1.3
65.65295	1.1
67.05475	1.9
69.03400	4.4
69.80807	2.0
69.81213	6.1
70.06555	1.1
71.01340	1.1
71.04983	59.4
72.08146	1.1
73.02896	4.0
74.09704	1.2
75.04465	5.2
79.05485	1.6
81.03416	3.5
81.07005	2.2
83.04967	7.3
85.02895	100.0
85.06540	1.6
87.04441	3.1
91.05484	1.7
93.07029	2.3
95.04957	2.1
95.08603	1.8
97.02873	8.9
98.20831	1.4
99.04442	2.7
101.05965	1.7
103.03943	1.4
103.05480	1.3
105.07052	1.5
107.04931	1.4
107.08553	1.8
109.02882	2.7
111.04424	5.3
112.07550	1.4
115.03939	2.2
118.35648	1.4
121.02859	23.1
121.06436	1.6
121.10139	2.0
123.07989	1.7
127.03915	7.4
129.05461	45.2
133.04974	2.6
137.05963	2.7
140.10666	1.9
144.06558	9.9
145.04956	4.5
147.06502	23.9
147.07683	1.8
149.09595	7.1
151.03871	4.4
153.01820	2.5
153.05452	18.8
153.08923	1.2
161.09528	1.4
163.03839	1.6
164.07040	4.2
227.94504	1.4
243.08722	2.7
244.09512	7.5
255.08618	2.7
303.04834	1.3
317.06491	5.0
342.15543	1.4
345.80032	1.3
378.15060	1.4
379.15912	2.0
442.31497	2.1
478.19138	3.6
479.15567	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	478.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03926	0.8
55.01865	0.8
57.03431	0.7
67.05528	0.5
69.03419	4.3
69.07064	0.8
69.68629	3.0
70.06580	0.7
71.04955	0.8
79.01839	1.5
81.02967	0.8
81.03407	9.8
81.07039	0.5
83.04979	1.3
85.02893	4.4
92.16770	0.4
95.04942	0.7
96.08084	0.4
97.02885	7.8
99.04431	1.6
107.01318	0.9
109.02859	5.9
113.06015	0.6
113.11217	0.4
119.04927	0.5
121.02866	0.7
124.07587	1.2
125.02338	2.9
127.03904	8.8
131.04982	0.5
135.04352	0.6
140.07051	1.6
143.03383	4.7
145.04965	2.8
152.07011	1.6
153.01810	100.0
154.02119	1.5
157.10149	0.7
163.03931	0.5
168.06543	2.5
171.02869	18.2
182.08125	0.5
194.10408	0.6
210.03987	0.6
235.13213	0.7
261.14499	0.4
279.04956	1.1
281.13837	0.9
297.06012	13.9
297.09381	0.8
298.12991	0.6
299.14813	1.1
303.01291	2.0
315.07056	32.1
316.07492	0.7
474.88785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.1
55.01857	6.8
55.05502	27.1
57.03409	4.8
57.07069	18.4
57.11223	2.2
67.05496	37.5
69.03392	4.2
69.07059	45.0
69.35231	16.7
69.35659	10.2
71.04976	7.7
71.08614	9.5
79.05486	25.3
81.07045	100.0
83.04969	5.5
83.08607	29.5
85.06516	3.8
85.10172	4.1
91.05455	13.1
91.31621	2.2
92.27356	2.3
93.07032	37.8
95.04974	4.6
95.08591	65.1
97.06525	3.8
97.10168	18.0
99.04435	17.8
99.17471	2.6
105.07021	22.2
107.04924	2.8
107.08586	29.3
109.06511	13.0
109.10146	39.9
111.04398	4.7
111.08019	3.9
111.11705	10.4
117.07004	3.2
119.08546	22.7
121.06478	2.8
121.10109	22.0
122.35480	2.2
123.08051	4.0
123.11704	20.4
125.05965	12.4
125.09633	3.5
125.13216	2.6
127.03918	24.4
129.07022	4.0
131.08554	7.6
133.10086	14.0
134.30756	2.5
135.08051	3.5
135.11691	16.3
137.05952	66.5
137.09554	4.4
137.13257	9.3
139.07545	2.6
141.05400	3.8
142.07687	2.9
143.08495	3.8
145.10060	7.7
147.08052	2.4
147.11697	11.6
149.09604	6.2
149.13176	14.5
151.07547	7.8
151.14853	2.7
155.07024	7.1
155.08479	2.4
157.10101	8.9
159.11691	7.1
161.09595	5.8
161.13255	4.9
163.11243	3.3
163.14818	8.8
165.09192	3.7
167.06992	8.1
171.11552	3.0
173.09631	5.1
173.13177	3.2
175.11154	6.9
175.14807	4.2
177.09059	7.6
179.06958	5.6
183.06554	15.9
183.11674	3.3
185.09660	6.6
186.08105	2.5
187.11095	6.5
188.08328	5.5
191.10608	4.9
193.08525	3.1
193.12126	2.6
199.11127	5.0
203.10645	25.6
205.12222	4.0
217.12277	4.2
219.13759	6.9
235.09621	13.0
245.15326	3.2
249.18463	3.2
259.16888	3.4
261.25754	3.8
273.18420	2.8
275.27426	7.1
315.30417	5.7
321.80142	2.8
333.31476	6.0
389.26913	3.3
399.32587	20.8
417.33557	10.3
441.33560	7.1
459.34540	27.5
477.28104	8.1
477.33966	14.0
490.47815	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	477.357
Annotation	2,3-diepi-25-Methyldolichosterone
Peak:m/z	Relative Intensity
55.01844	10.9
55.05500	34.5
56.05802	2.4
57.03415	7.3
57.07058	7.0
59.04976	5.6
65.03909	4.2
67.05492	78.1
69.03395	7.3
69.07052	36.4
71.04985	25.6
71.61954	3.0
71.62388	3.0
79.05050	5.0
79.05477	58.3
81.03399	22.5
81.07046	100.0
83.04950	13.0
83.08184	3.2
83.08608	28.5
85.02876	5.8
85.06525	8.3
91.05470	49.9
93.07030	92.4
94.07379	2.8
95.04955	24.1
95.08595	78.8
96.08906	5.9
97.02852	3.9
97.06509	18.9
97.10141	17.0
99.08053	8.8
103.05421	3.6
105.06367	4.6
105.07018	57.1
106.07319	4.4
107.04963	13.0
107.08578	81.4
108.08887	3.7
109.06489	14.9
109.10143	44.3
111.08047	10.7
115.05483	3.3
117.06990	20.1
119.08568	76.9
120.08865	4.5
121.06464	12.0
121.10120	58.8
123.04422	2.7
123.08016	9.7
123.11680	25.8
125.09607	15.9
127.11178	33.7
129.06975	10.0
131.08553	31.7
133.06435	2.5
133.10114	61.2
134.10432	5.2
135.08055	7.5
135.11670	44.7
137.05942	3.3
137.09610	7.3
137.13246	7.7
139.07503	3.6
139.11186	3.4
141.06931	3.7
143.08517	7.8
145.06430	5.0
145.09016	4.7
145.10095	44.5
146.10432	4.5
147.08028	7.5
147.11653	39.3
148.12091	3.6
149.09576	19.1
149.13232	36.0
151.11150	11.8
153.12672	7.0
155.08522	5.5
157.10065	16.9
158.10944	2.9
159.11673	42.8
161.09499	4.2
161.13234	42.0
161.39893	2.5
163.11157	21.0
163.14783	7.7
165.09048	7.4
165.12697	4.6
167.28754	2.5
170.10870	2.6
171.11649	13.8
173.09541	6.5
173.13187	24.2
175.11111	5.3
175.14807	43.6
177.12704	8.2
177.16345	8.9
179.10599	2.9
179.14201	3.5
181.12148	5.8
183.11598	6.2
185.13194	11.1
187.11084	3.4
187.14807	21.4
189.11128	8.2
189.12656	3.7
189.16385	36.9
191.10655	4.1
191.14293	14.3
193.12241	6.5
193.15819	3.8
195.13759	10.0
197.13277	8.1
199.14725	9.2
201.16370	26.8
202.16650	4.5
203.17897	13.6
205.12192	3.4
205.15829	5.0
205.19341	3.7
207.17412	10.3
209.11670	9.3
209.15321	4.0
211.14879	4.2
213.16336	8.4
215.14430	5.0
215.17859	13.6
217.15942	3.8
217.19466	25.4
219.17383	6.9
221.15309	12.2
221.18919	3.5
223.13248	5.0
227.12659	15.3
227.17772	5.7
231.17323	3.0
233.15268	5.5
233.18977	3.7
235.16925	9.6
235.20491	5.4
241.19363	7.2
255.21004	19.9
267.15887	5.3
271.20605	6.5
273.14679	3.2
273.22031	3.5
339.23068	2.9
349.21509	4.3
357.24048	2.6
367.22464	9.7
385.23703	12.3
395.33167	29.4
403.24533	4.7
405.31335	6.2
413.34256	19.8
423.32550	25.5
424.32391	3.4
441.27707	5.4
441.33557	68.3
442.34039	5.1
459.27289	27.7
459.34601	18.9
477.21295	4.9
477.28296	100.0
477.37878	15.6
478.28427	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	477.2839
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
55.01868	12.6
55.05259	2.9
55.05504	42.0
57.03427	9.9
57.07066	3.0
59.04972	1.9
65.03918	3.1
67.05495	63.4
69.03408	7.1
69.07057	19.5
71.01331	2.5
71.04974	6.0
79.05481	59.8
81.02973	2.6
81.03407	34.0
81.07040	56.6
83.04961	12.5
83.08609	29.9
85.02888	4.7
85.06537	3.2
89.24702	1.8
91.05470	39.5
93.07029	50.3
95.04955	28.5
95.08592	28.5
97.02858	4.2
97.06506	7.6
97.10152	30.3
99.04455	2.6
103.05470	3.1
105.07016	29.1
107.04946	23.0
107.08575	31.1
109.06503	8.1
109.10134	17.5
111.04436	4.3
111.08056	8.9
115.05435	3.3
117.07018	17.7
119.08558	24.7
121.06476	21.0
121.10133	17.5
123.08075	9.0
123.11672	4.4
125.06073	2.0
125.09626	22.1
129.07001	14.4
131.04852	4.4
131.08560	18.9
133.06470	8.3
133.10112	13.1
135.04332	2.1
135.08038	10.7
135.11650	11.4
137.05905	2.0
137.09581	4.9
141.06937	4.0
142.07700	3.1
142.89832	2.0
143.08543	7.6
145.06470	15.7
145.10097	19.3
147.08038	12.0
147.11610	9.3
149.09575	8.8
149.13280	6.0
153.09128	3.7
153.12659	4.2
154.07848	2.6
155.08530	7.5
157.06473	4.4
157.10146	7.9
159.08076	4.5
159.11670	10.4
161.05952	3.7
161.09648	4.3
161.13205	2.5
163.11163	13.4
165.12733	2.0
169.10175	3.9
171.07983	5.0
171.10295	2.5
171.11702	5.1
173.09595	5.3
173.13284	2.9
175.11131	7.0
177.12753	4.5
185.09563	3.8
185.13261	4.2
187.11182	3.1
187.14806	3.7
189.11205	13.7
189.12717	3.1
191.10600	4.5
193.12193	16.1
195.11798	2.0
195.13719	4.6
197.13252	3.2
199.11049	4.5
205.12129	2.8
209.11604	9.5
211.13232	5.4
213.12811	2.3
215.14313	3.8
223.13254	3.2
225.12798	2.6
227.12637	18.4
231.13835	2.9
233.15309	14.9
237.12819	2.0
241.14180	3.7
249.14845	3.8
255.14027	2.6
263.16449	2.1
267.15900	31.1
273.14871	10.5
273.18564	1.8
291.19589	2.1
323.15918	1.9
339.23132	5.7
341.21048	4.5
349.21420	11.2
357.24268	7.6
359.22278	2.2
367.22647	34.0
385.23660	49.4
386.23987	4.0
403.24652	22.4
415.24750	5.6
433.25546	11.9
441.26318	5.8
459.27338	88.4
460.27402	7.0
477.28372	100.0
478.28760	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	477.284
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
52.45958	1.9
55.01862	12.5
55.05503	49.3
57.03434	12.8
58.83720	2.0
59.04990	1.9
62.94177	1.7
65.03918	2.8
66.93031	1.7
67.05163	3.8
67.05493	42.1
69.03406	7.0
69.07061	13.7
71.04982	5.2
79.05477	51.3
81.03406	51.1
81.07041	45.7
83.04955	7.1
83.08607	30.1
91.05463	44.1
93.07035	29.3
95.04952	29.0
95.08592	23.7
96.24096	2.1
97.02898	2.1
97.06511	4.3
97.10156	41.7
100.54274	2.0
103.05431	2.6
104.14842	1.9
105.07003	28.9
107.04935	29.3
107.08577	27.1
109.06496	9.0
109.10144	12.3
111.04440	3.4
111.08076	6.6
115.05438	3.9
117.06995	17.4
119.04888	2.1
119.08558	23.5
121.06477	36.0
121.10108	8.9
123.04423	2.8
123.08064	7.0
123.11633	3.0
125.09607	34.2
129.06964	18.3
131.04919	4.9
131.08543	19.0
133.06503	9.9
133.10060	10.8
135.08009	11.2
135.11691	4.4
137.05904	2.3
137.09633	2.8
141.06953	5.6
142.07722	3.2
143.08536	8.0
145.06429	18.5
145.10124	11.2
147.04370	3.4
147.08034	10.1
147.11662	11.9
149.09633	5.5
149.13208	2.1
153.09097	6.7
155.08499	6.9
157.06429	3.6
157.10133	7.5
159.08049	6.0
159.11673	4.8
161.05998	3.5
161.09569	4.8
163.11127	4.6
165.12759	2.4
167.08635	3.1
169.10100	5.1
171.08023	5.4
171.11624	6.3
173.09618	3.2
173.13297	2.6
175.11168	10.3
177.12662	3.0
179.33147	2.0
185.09511	2.5
185.13156	3.2
187.14738	2.1
189.09125	2.0
189.11194	13.9
189.12662	4.7
192.53534	2.2
193.12221	30.1
195.11662	3.9
195.13655	2.8
197.13277	2.6
199.11172	4.0
200.01837	1.9
205.12227	3.1
211.13222	5.0
213.12808	2.6
215.14297	5.1
217.12257	2.9
225.12631	3.2
227.12697	24.9
229.66635	2.0
231.13779	3.4
233.15347	18.4
235.13260	2.1
241.14352	3.4
245.15503	2.1
248.59795	1.9
249.14859	6.7
267.15887	50.4
268.16599	2.0
271.16986	2.7
273.14841	7.2
323.20166	1.9
339.23331	4.7
341.21051	7.3
341.25574	1.9
349.21564	12.9
357.24228	10.4
367.22583	35.7
368.23022	3.0
375.25006	2.6
385.23666	56.8
386.24155	3.0
403.24719	21.6
405.23953	2.2
415.24899	4.0
433.25809	14.6
441.26419	8.0
459.27353	100.0
460.27609	6.6
477.28415	84.5
478.28741	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	477.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52653	1.7
51.84967	2.0
53.25179	1.7
55.01868	12.2
55.05505	52.2
56.15453	1.7
57.03431	13.6
57.07065	2.2
59.05001	2.5
60.71554	1.7
65.03947	2.2
67.05496	54.3
69.03403	7.2
69.07060	16.1
69.79003	9.4
71.04964	5.4
79.05484	63.9
81.03407	66.0
81.07050	53.5
83.04972	15.8
83.08609	34.1
85.02888	6.7
85.06508	3.2
91.05470	53.8
93.07040	33.2
95.04964	32.3
95.08592	21.0
97.02846	2.7
97.06504	6.6
97.10163	41.8
105.06362	3.2
105.07021	35.9
107.04945	27.4
107.08583	24.2
109.06497	10.8
109.10115	11.5
111.04433	2.7
111.08049	8.6
115.05430	2.8
117.06990	13.6
119.04937	2.3
119.08574	27.0
121.06493	27.3
121.10123	11.2
123.04433	2.3
123.08038	9.4
123.11708	3.5
125.06045	2.5
125.09617	33.6
128.06233	3.2
129.07007	17.5
131.04939	5.6
131.08548	18.7
133.06470	9.9
133.10094	14.5
135.08031	11.6
135.11681	3.4
141.06981	3.8
142.07770	3.0
143.08549	7.7
145.06464	23.5
145.10097	12.0
147.04420	3.0
147.08018	10.6
147.11635	15.9
149.09599	8.8
151.07526	2.5
153.09097	9.9
155.08530	4.7
157.06474	3.8
157.10091	15.0
159.08055	4.4
159.11665	4.0
161.05980	2.4
161.09595	2.6
163.11142	5.9
165.12721	2.2
167.08536	3.3
169.10101	5.1
171.08006	4.8
171.10280	2.1
171.11646	7.5
173.09593	4.1
175.11191	10.8
177.12909	2.8
181.10101	3.1
181.12134	1.8
183.08009	3.0
185.09561	3.0
187.11192	2.2
187.14793	3.9
189.11217	17.4
189.12708	3.9
193.12239	30.6
195.11697	4.5
197.09543	2.6
197.13278	6.0
199.11145	2.9
205.12192	5.0
211.11475	3.1
211.13246	14.8
213.12846	2.5
215.14339	5.7
217.12274	3.3
223.11188	2.2
223.13234	3.0
225.12718	3.3
227.12694	13.8
227.14568	2.0
231.13799	5.0
233.15338	13.4
235.13390	2.9
237.12679	2.1
241.14273	3.8
245.15378	5.5
249.14931	4.4
255.13838	2.9
257.15253	2.0
259.13293	4.0
267.15897	38.0
273.14804	14.0
275.16595	2.1
291.15891	3.6
313.21292	2.0
315.36765	2.2
339.23120	6.7
341.21243	3.5
349.21539	14.7
357.24231	7.5
367.22620	37.1
385.23706	66.3
386.24222	3.2
403.24768	22.0
433.25879	11.5
441.26398	8.4
459.27399	100.0
460.27585	5.6
477.28412	94.4
478.28647	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	477.284
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
51.97559	1.5
55.01862	9.2
55.05502	47.4
55.09936	1.4
57.02438	1.5
57.03423	11.9
57.07090	1.9
59.04980	1.7
65.03927	3.3
67.05497	48.0
69.03408	7.0
69.07056	14.4
70.24556	8.6
71.04977	3.2
79.05482	55.4
81.03406	47.0
81.07045	47.0
83.04963	12.3
83.08607	25.1
85.02902	6.2
85.06546	1.9
91.05466	44.6
93.07028	28.9
95.04951	31.0
95.08588	19.9
97.06521	6.0
97.10159	37.9
103.05415	1.9
105.07018	30.8
107.04948	28.2
107.08583	26.3
109.06491	9.8
109.10146	12.9
111.04410	3.2
111.08063	5.5
113.05918	2.0
115.05444	1.7
117.07003	15.4
119.04919	2.9
119.08565	22.5
119.09332	2.1
121.06487	22.9
121.10133	11.7
123.04445	1.8
123.08044	9.7
123.11694	2.6
125.09612	28.5
125.16808	1.5
128.06177	2.6
129.06982	17.9
131.04921	4.3
131.08554	20.1
133.06461	9.3
133.10120	13.6
135.08052	9.4
135.11667	5.2
137.09619	2.1
141.07001	4.3
142.07780	3.5
143.08551	6.7
145.06451	16.0
145.10092	10.7
147.04327	2.8
147.08049	10.3
147.11671	13.4
149.05974	1.7
149.09631	7.9
153.09096	6.3
153.12686	2.5
155.08537	4.4
155.34116	1.7
157.06474	5.4
157.10085	12.8
159.07988	5.4
159.11644	4.0
161.05959	2.7
161.09648	5.1
163.11159	6.0
165.12752	3.7
167.08572	3.7
169.06512	2.0
169.10155	4.5
171.08055	6.1
171.10364	1.7
171.11705	6.9
173.09581	4.8
175.11127	11.0
181.10078	2.9
183.11723	3.1
185.09438	3.3
187.11172	3.1
187.14870	2.9
189.09412	2.4
189.11201	15.7
189.12753	4.2
193.12216	27.2
195.11700	3.8
197.13179	4.1
199.11247	4.7
205.12212	2.9
211.13196	16.2
213.12746	5.0
215.14346	5.0
217.12192	2.6
223.13132	3.4
225.12671	3.6
227.12617	11.2
231.13948	2.3
233.15288	11.9
235.13275	3.4
237.12669	3.1
241.14308	3.2
245.15546	3.5
249.14919	3.7
255.13745	2.5
257.15283	1.9
259.13202	2.4
262.25711	1.6
267.15842	28.4
273.14902	11.5
287.16318	1.9
291.15909	1.7
339.23022	7.5
341.21136	2.2
349.21625	12.5
357.24133	6.9
367.22620	41.2
368.22992	3.6
380.54367	2.0
385.23697	73.2
386.23950	4.3
403.24738	22.9
404.24640	1.9
405.24194	2.1
423.25320	2.4
431.27902	2.4
433.25885	7.5
441.26294	9.2
459.27304	100.0
460.27805	7.4
477.28415	85.9
477.35425	3.2
478.28806	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	477.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01867	11.9
55.05501	50.4
57.03423	15.4
59.04977	3.8
65.03928	3.9
67.05495	60.8
67.05861	3.0
69.03411	6.8
69.07063	14.8
69.46011	15.0
70.93349	1.7
71.04964	4.7
79.05479	57.6
79.55441	1.9
81.03408	69.2
81.07046	52.9
83.04974	15.0
83.08605	34.0
85.02888	6.6
85.06523	2.6
91.05463	50.5
93.07034	40.6
95.04955	37.2
95.08589	26.9
95.78876	2.2
97.02883	2.9
97.06499	7.8
97.10155	35.1
98.20747	4.3
102.20784	1.8
105.07015	34.0
107.04939	27.5
107.08566	30.9
109.06519	12.8
109.10152	12.4
111.04395	2.8
111.08060	7.7
113.05982	2.5
115.05444	4.7
115.13551	1.9
117.06990	13.3
119.04916	3.1
119.08556	28.7
119.47666	1.7
121.06479	27.2
121.10107	17.4
123.04414	2.1
123.08038	6.8
123.11690	6.6
125.09605	29.0
128.06239	2.3
129.06999	17.3
131.04945	3.3
131.08548	22.4
133.06458	9.9
133.10107	15.6
135.08037	9.8
135.11699	9.2
135.61900	1.8
137.09616	4.2
141.06993	4.4
142.07776	4.9
143.08553	6.4
145.06453	11.5
145.10114	13.9
147.04440	2.6
147.07983	10.6
147.11681	16.6
149.09569	9.8
149.13231	5.2
153.09106	6.0
155.08528	5.1
157.06436	2.4
157.10124	13.3
159.08018	5.5
159.11684	7.6
159.79495	1.7
161.09625	2.5
163.11147	13.5
165.09076	1.9
165.12755	4.1
167.08551	3.3
169.10172	4.6
171.08089	3.1
171.10182	2.1
171.11639	4.9
173.09653	3.9
173.13200	3.1
175.11156	14.6
177.12720	4.5
183.11650	2.2
185.09666	2.6
185.13246	2.2
187.11157	4.4
187.14774	2.0
189.11205	16.7
189.12721	3.6
193.12199	32.4
195.11649	2.6
197.13193	3.5
199.11185	5.6
201.12973	2.4
211.13264	15.0
213.12723	2.6
215.14297	4.6
217.19592	2.9
223.13210	2.3
225.12830	3.1
227.12682	24.9
227.14479	2.0
231.13806	3.3
233.15331	13.2
237.12695	2.2
239.47179	1.8
241.14267	3.2
245.15291	3.0
249.14877	4.2
255.13811	3.5
257.15271	2.0
267.15863	47.2
267.18573	3.6
273.14694	13.1
287.16565	2.3
289.17960	2.7
291.16104	2.4
321.22021	3.7
339.23355	4.9
341.20883	2.9
349.21646	11.4
357.24210	7.9
367.22641	34.9
385.23691	63.7
386.24008	3.6
403.24759	20.5
423.25427	2.2
433.25766	8.0
441.26297	6.6
459.27350	94.8
460.27783	4.9
477.28394	100.0
478.28860	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	477.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.3
55.01866	9.7
55.05505	45.2
57.03419	11.4
67.05164	3.3
67.05493	47.7
69.03408	10.9
69.07052	18.0
71.04971	4.1
79.05479	48.4
81.03407	47.8
81.07046	43.6
83.04961	9.8
83.08601	20.3
85.02879	4.9
85.06535	5.2
91.05464	39.4
93.07026	32.7
95.04958	28.4
95.08592	23.8
97.02873	3.7
97.06498	7.8
97.10151	33.6
99.08082	3.7
99.51817	1.9
103.05441	2.4
105.04508	1.9
105.07013	35.5
105.66673	1.9
107.04942	25.9
107.08585	33.0
109.06522	14.5
109.10130	15.4
111.08059	8.7
115.05433	3.9
116.06200	2.1
117.06998	10.2
119.04891	2.8
119.08552	22.6
121.06484	26.5
121.10091	11.1
123.08028	11.2
123.11679	5.0
125.05997	3.4
125.09608	28.1
129.06929	12.9
131.04922	3.4
131.08562	19.4
133.06453	10.7
133.10112	10.8
135.04428	2.7
135.08049	12.7
135.11664	5.2
137.05998	4.4
137.09602	5.4
141.07033	2.3
142.07745	4.2
143.08531	7.5
145.06477	12.3
145.10100	12.9
147.04391	3.4
147.08018	12.0
147.11655	19.7
149.05934	2.0
149.09576	8.4
149.13239	10.1
151.07545	3.3
151.11151	3.4
153.01773	5.6
153.09073	7.0
153.12779	2.4
155.08517	5.5
157.06496	3.2
157.10114	11.1
159.08095	4.7
159.11668	6.5
161.05986	4.3
161.09550	5.7
161.13255	3.9
163.11105	5.0
165.09076	2.8
165.12706	3.8
167.07014	6.0
167.08527	4.2
169.10092	5.2
171.08078	4.7
171.10210	3.0
171.11670	7.1
173.09648	4.2
175.07529	2.0
175.11139	11.6
183.08069	2.2
183.11646	4.6
185.13301	3.5
186.83055	2.0
187.11162	4.3
187.14732	3.7
189.11179	19.0
189.12741	21.5
193.12196	24.4
195.11598	2.8
197.09567	2.6
197.13251	3.2
199.11195	3.9
205.12163	4.8
207.13869	3.1
211.11333	2.1
211.13260	5.6
211.38087	2.1
213.12708	3.2
215.14308	7.4
217.12181	4.4
219.13828	2.0
221.15207	2.2
223.13277	3.8
227.12643	23.2
233.15306	18.3
235.13318	3.6
237.12878	2.4
241.14285	2.5
249.14882	6.7
255.13725	3.3
267.15881	40.3
273.14804	11.1
275.16602	3.1
291.15927	3.1
329.24792	2.3
339.23141	5.2
341.20731	3.8
349.21692	14.2
357.24237	8.9
367.22562	34.8
367.26819	3.5
368.23212	3.6
385.23648	58.4
386.24045	2.5
403.24689	24.0
415.24866	3.5
433.25815	14.4
441.25998	11.2
459.27344	100.0
460.27621	8.5
477.28369	75.9
478.28622	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	477.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00488	1.0
51.02388	1.1
53.03917	1.6
55.01856	2.8
55.05494	5.0
57.03424	1.4
67.05495	7.2
69.03410	5.1
69.07054	3.7
69.49419	9.7
71.04987	6.7
73.02913	5.6
79.05470	8.5
81.03408	4.4
81.07050	10.1
83.04971	3.4
83.08617	2.2
85.02901	7.4
85.06514	4.1
91.05474	8.7
92.90365	1.1
93.07025	9.4
94.04185	2.4
95.04973	3.5
95.08606	7.4
97.02890	2.1
97.06525	2.7
97.10151	3.4
98.20560	1.3
99.04436	2.9
103.05449	3.4
105.07020	7.6
107.04951	3.9
107.08582	8.4
109.02876	4.1
109.06502	4.5
109.10143	7.7
111.04456	1.9
111.08055	2.0
115.05451	4.0
117.05431	1.2
117.07014	4.1
119.04927	2.8
119.08559	6.8
121.06495	4.9
121.10120	4.7
122.03626	6.1
123.04456	1.3
123.08051	4.9
123.11710	3.3
125.05963	2.1
125.09602	4.9
127.03915	1.9
129.05484	2.0
129.06970	4.6
131.04910	5.5
131.08511	2.5
133.06468	3.3
133.10104	3.6
135.08037	3.4
135.11647	3.4
137.05962	100.0
137.09587	3.1
138.06348	2.8
139.07538	2.1
139.11108	1.2
143.04912	3.4
143.08534	3.2
145.06447	3.9
145.10086	3.7
147.04384	3.6
147.08000	3.4
147.11650	4.5
149.05962	3.5
149.09573	1.7
151.03883	3.7
151.07520	26.2
153.01823	5.3
155.08553	2.1
157.06516	4.1
157.10046	1.2
159.08015	3.5
159.11671	2.2
160.05161	3.5
161.05920	5.9
161.09618	2.4
161.13229	1.4
163.07530	10.1
163.11192	2.6
165.05467	1.5
165.06947	2.0
165.09116	8.3
165.12778	2.0
167.07031	7.3
171.08046	5.1
171.11691	1.7
173.09610	1.4
174.06703	1.7
175.07529	28.2
175.11176	1.8
175.14813	1.3
177.05455	8.6
177.09068	6.1
179.07066	2.8
179.08473	1.3
179.10680	1.7
183.08054	3.8
185.09624	1.5
187.07585	5.7
189.09093	6.3
189.12776	1.6
191.07045	4.7
191.10626	3.4
193.08667	2.6
193.12242	2.4
195.08450	1.9
195.10161	13.0
199.07477	3.3
199.11140	1.7
201.09099	2.4
202.07668	1.3
203.06984	3.5
203.10651	3.7
205.08563	2.8
207.10197	3.0
207.13632	1.5
211.07516	1.9
213.09044	2.0
215.08540	1.7
215.10614	1.6
217.08621	3.5
217.12198	2.6
219.10115	4.9
225.09023	1.8
227.10558	1.7
229.08443	1.8
229.12183	1.7
231.10182	2.1
233.11774	1.6
233.15211	1.4
235.13251	3.0
243.07756	2.2
245.11862	1.3
248.08269	2.0
253.08536	1.4
253.14340	2.2
261.11380	2.3
262.09607	1.4
265.08566	2.7
267.10245	1.5
269.08237	1.5
274.09662	1.9
277.08624	3.3
279.09903	2.5
290.09442	1.3
291.10043	3.2
293.11444	1.6
295.09793	1.8
296.10663	1.4
297.11142	2.8
299.12732	2.0
303.09903	1.9
305.11478	2.9
308.10583	1.9
309.11118	2.7
311.12738	4.1
313.14301	3.2
315.08588	1.6
317.11725	4.4
321.11148	3.2
323.12723	3.5
325.14539	1.4
331.15329	3.9
335.12769	4.1
337.14368	2.9
341.13525	1.3
343.15356	6.3
349.14267	3.9
355.15283	5.0
357.17081	2.6
367.15390	16.1
367.22369	2.0
385.16348	2.9
385.23663	4.3
393.83823	1.3
397.16357	2.1
403.24466	1.5
405.16837	2.2
423.17880	4.7
441.25906	1.2
459.26892	5.4
477.19321	1.3
477.28241	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	477.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
53.69001	1.0
55.01868	2.0
55.05486	3.1
57.03409	1.8
57.07047	0.9
67.05495	6.0
69.03403	3.5
69.07056	4.5
71.04977	5.0
71.62608	1.0
71.62967	1.2
73.02895	4.6
77.29323	0.9
79.05458	4.4
81.03400	2.6
81.07049	7.3
83.04956	3.2
83.08572	1.7
85.02896	6.6
85.06525	2.6
85.89805	1.0
91.05463	8.3
93.07045	7.1
94.04148	2.0
95.04941	3.6
95.08580	4.9
97.02852	1.8
97.06503	2.6
97.10154	1.4
99.04427	3.2
103.05438	2.5
105.07001	4.5
107.04928	4.3
107.08563	7.5
109.02847	2.2
109.06520	2.9
109.10136	5.0
111.04403	1.6
113.06018	1.2
114.94679	1.0
115.05446	3.3
117.05481	1.6
117.06985	4.1
119.04919	3.1
119.08539	4.2
121.06490	3.7
121.10135	3.6
122.03642	5.9
123.08058	4.3
123.11641	1.6
125.05970	1.1
125.09610	4.7
127.03934	2.5
128.06180	2.0
129.05472	1.2
129.06972	2.8
131.04890	3.9
131.08553	3.1
133.06462	2.2
133.10062	1.8
135.04393	1.1
135.08005	3.2
135.11646	1.8
137.05952	100.0
138.06268	1.4
139.11211	1.1
141.81873	0.9
143.04852	3.6
143.08560	2.8
144.05702	1.1
145.06413	3.7
145.10081	2.6
147.04382	3.7
147.08009	2.2
147.11659	2.9
148.05080	1.1
149.05904	1.5
149.09618	2.2
151.03922	2.2
151.07523	26.6
151.11159	1.2
153.01820	3.1
153.06947	0.9
155.08508	2.8
157.06477	2.8
157.10086	1.9
159.07999	2.1
159.11594	1.3
160.05190	3.8
161.05937	8.0
161.09575	2.1
161.13249	0.9
162.03091	1.5
162.06580	1.0
163.07486	6.0
163.11176	1.2
165.05453	2.5
165.06905	1.8
165.09084	7.3
167.07022	4.5
169.10097	1.5
171.08051	4.3
171.11716	1.7
173.09558	1.3
174.06773	1.6
175.07527	29.0
177.05467	7.9
177.09048	7.2
179.07050	2.3
181.04974	1.2
183.08047	3.6
185.09636	0.9
187.07460	4.6
189.05406	1.3
189.07300	1.0
189.09019	6.6
191.06952	4.1
191.10686	2.7
193.08609	1.6
195.10133	11.7
197.05919	1.3
199.07578	2.7
201.09000	2.8
203.06998	3.8
203.10602	4.6
205.08539	2.9
207.08115	1.0
207.10057	1.5
209.08020	1.4
211.07574	2.3
213.09076	2.9
215.10704	2.3
217.08568	2.6
219.08189	1.4
219.10115	3.6
221.09755	1.2
221.11758	1.4
225.09061	2.9
227.10617	1.7
231.10216	2.0
233.07880	1.6
233.11671	2.3
235.09560	1.1
237.11159	1.1
239.10625	1.5
241.08607	1.8
243.10228	1.6
245.09369	1.8
248.08383	1.3
249.08870	1.3
249.11272	1.8
253.08398	1.1
259.09708	1.3
261.11261	3.0
265.08441	1.6
269.08026	1.3
273.08847	1.0
274.09689	1.2
275.10544	1.3
277.08487	2.8
277.11557	0.8
283.09836	1.1
287.12805	2.5
289.11981	1.4
290.09210	1.3
291.10007	2.6
293.08054	1.5
293.11325	1.2
295.09665	1.1
297.11243	2.6
299.12793	2.8
303.10159	1.2
305.11664	2.9
307.09482	1.8
308.10333	1.3
309.11035	4.5
311.12601	5.5
313.14343	1.4
315.08383	1.4
317.11679	3.4
321.11072	4.6
323.12689	5.2
325.14175	2.7
329.13889	1.9
331.15344	3.8
334.11880	1.5
335.12613	4.7
337.14301	3.9
337.78754	1.0
343.15289	6.0
349.14340	4.2
355.15579	5.7
357.16861	3.5
365.13898	1.3
367.15369	13.7
367.22641	2.1
379.15179	2.0
381.16675	1.3
385.16360	4.7
385.23706	3.2
397.16257	2.0
403.24564	1.3
405.16812	1.6
423.17932	5.5
441.19226	1.2
459.19504	1.4
459.27121	1.9
477.20963	1.5
477.28387	3.0
482.21759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01856	2.9
55.05501	5.1
57.03418	9.1
67.05483	7.0
69.03416	4.7
69.07061	4.2
71.04988	14.1
71.56926	3.4
72.59647	1.8
73.02892	7.0
73.73897	2.1
79.05488	6.3
81.03403	5.5
81.07047	15.1
83.04986	2.9
85.02895	20.5
85.06526	8.9
91.05450	12.5
93.07030	12.1
94.04193	3.1
95.04949	7.1
95.08588	6.2
97.02842	2.4
97.06493	4.0
99.04420	3.3
99.08041	2.3
103.05442	3.4
105.07030	11.9
107.04939	2.8
107.08577	13.2
109.02875	5.1
109.06511	5.2
109.10138	5.8
111.04430	2.7
115.05418	4.5
117.05516	2.2
117.06958	3.8
119.04923	4.7
119.08557	5.7
121.06467	5.9
121.10120	8.2
122.03620	3.7
123.08015	3.3
123.11700	2.8
125.09618	3.1
127.03899	2.5
128.06169	2.4
129.05391	3.5
129.06982	3.7
131.04921	6.8
131.07039	8.5
131.08495	2.4
133.10107	4.9
135.08012	3.3
135.11670	2.5
137.05952	100.0
137.09578	2.8
143.03360	2.4
143.04892	3.5
143.06961	1.9
145.06473	3.3
145.10033	2.3
147.04396	4.3
147.07965	3.6
147.11661	3.7
149.05916	3.1
149.09615	3.8
151.03900	2.8
151.07506	28.5
153.01781	5.8
155.08612	3.1
157.06442	4.5
159.07967	2.7
160.05203	4.6
161.05966	6.4
161.09634	2.0
163.07509	12.2
165.06955	4.3
165.09138	3.9
167.07028	9.1
171.08070	4.8
173.05984	2.3
175.07500	26.8
177.05450	9.4
177.09082	7.3
183.08060	4.8
187.07539	4.9
189.07599	2.0
189.09065	10.6
191.07019	3.3
193.08553	2.2
195.08417	2.8
195.10092	14.0
197.05888	2.8
199.07491	3.6
201.09047	3.7
203.07019	4.9
203.10646	5.3
217.08578	6.2
219.10199	4.7
221.95427	2.6
225.09053	2.9
227.10832	2.7
233.07941	2.9
233.11739	4.2
235.09402	2.5
249.11252	3.4
261.11420	3.3
265.08481	3.2
277.08530	3.5
285.11273	2.4
287.12720	7.5
305.11511	5.0
309.11078	4.7
311.12543	4.2
313.14334	5.2
317.11603	4.1
321.11328	4.3
323.12796	4.0
331.11700	3.7
331.15451	3.9
335.12866	4.1
337.14343	3.9
343.15335	7.2
349.14261	2.6
355.15308	7.2
357.17044	3.3
367.15283	13.0
385.16501	5.5
399.27646	2.4
405.17221	3.3
423.17944	2.9
441.19162	3.1
477.21027	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01857	14.6
55.05498	1.8
57.03429	24.7
59.04986	5.1
61.02913	19.2
67.05473	2.8
69.03418	35.1
71.01344	5.3
71.04987	5.3
71.62030	1.5
71.62452	1.7
72.04505	1.8
73.02906	100.0
79.05471	3.1
81.03408	9.7
81.07047	3.4
83.04943	1.5
83.29371	1.4
84.04539	1.4
85.02894	90.7
85.06561	1.7
87.04462	5.1
91.03933	3.5
91.05468	3.1
93.07003	2.1
95.04984	2.1
95.08605	1.6
95.75087	1.4
97.02879	62.0
99.04451	6.7
103.03933	3.2
105.07026	14.2
107.04943	2.4
109.02890	9.9
109.06503	3.0
114.05565	1.4
115.03914	42.3
117.05498	2.4
119.08535	2.9
121.06458	2.1
124.05189	17.1
127.03906	32.9
131.04941	2.1
131.06984	8.0
133.04950	53.6
133.06438	8.5
133.10056	1.4
137.05969	33.0
143.03401	2.2
144.06549	2.8
145.04941	43.4
145.08578	4.4
149.05956	1.9
150.07565	7.1
151.03882	1.9
151.07530	6.6
161.05962	3.2
161.09648	1.4
163.06024	17.4
163.07373	2.4
165.09091	72.3
167.07040	2.6
175.07520	4.7
177.09109	1.6
180.08661	3.7
187.07507	2.1
189.09085	6.3
191.10539	1.6
193.04890	2.3
199.06013	3.6
201.09058	4.8
207.10152	2.3
217.06882	1.6
223.05922	8.0
231.10313	1.5
241.06970	8.5
243.10155	2.8
259.08139	11.4
261.11206	4.8
277.09048	4.9
279.12332	2.1
279.15320	1.3
295.10120	2.0
309.11151	1.5
314.11987	2.2
330.14511	1.6
477.19077	2.0
489.73651	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01857	14.6
55.05498	1.8
57.03429	24.7
59.04986	5.1
61.02913	19.2
67.05473	2.8
69.03418	35.1
71.01344	5.3
71.04987	5.3
71.62030	1.5
71.62452	1.7
72.04505	1.8
73.02906	100.0
79.05471	3.1
81.03408	9.7
81.07047	3.4
83.04943	1.5
83.29371	1.4
84.04539	1.4
85.02894	90.7
85.06561	1.7
87.04462	5.1
91.03933	3.5
91.05468	3.1
93.07003	2.1
95.04984	2.1
95.08605	1.6
95.75087	1.4
97.02879	62.0
99.04451	6.7
103.03933	3.2
105.07026	14.2
107.04943	2.4
109.02890	9.9
109.06503	3.0
114.05565	1.4
115.03914	42.3
117.05498	2.4
119.08535	2.9
121.06458	2.1
124.05189	17.1
127.03906	32.9
131.04941	2.1
131.06984	8.0
133.04950	53.6
133.06438	8.5
133.10056	1.4
137.05969	33.0
143.03401	2.2
144.06549	2.8
145.04941	43.4
145.08578	4.4
149.05956	1.9
150.07565	7.1
151.03882	1.9
151.07530	6.6
161.05962	3.2
161.09648	1.4
163.06024	17.4
163.07373	2.4
165.09091	72.3
167.07040	2.6
175.07520	4.7
177.09109	1.6
180.08661	3.7
187.07507	2.1
189.09085	6.3
191.10539	1.6
193.04890	2.3
199.06013	3.6
201.09058	4.8
207.10152	2.3
217.06882	1.6
223.05922	8.0
231.10313	1.5
241.06970	8.5
243.10155	2.8
259.08139	11.4
261.11206	4.8
277.09048	4.9
279.12332	2.1
279.15320	1.3
295.10120	2.0
309.11151	1.5
314.11987	2.2
330.14511	1.6
477.19077	2.0
489.73651	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55881	1.5
53.03922	4.9
55.01840	2.4
55.05498	18.6
57.03426	2.9
57.07053	4.3
63.39309	1.6
65.03915	1.7
67.05494	44.6
69.03403	2.7
69.07054	23.1
69.50283	9.5
69.50712	4.3
71.04980	15.7
79.05477	39.4
81.03411	10.2
81.07041	60.7
82.07382	2.5
83.04970	8.5
83.08608	11.4
85.02905	1.7
85.06512	5.3
89.06013	6.4
91.05467	37.0
93.07028	56.6
94.07354	1.9
95.04961	11.3
95.08591	48.6
96.08915	2.1
97.06508	9.1
97.10138	5.5
99.04427	2.2
99.08073	3.4
105.07016	42.7
107.04922	4.2
107.08579	47.7
108.08896	1.5
109.06492	9.0
109.10136	35.1
110.10480	1.9
111.04448	1.9
111.08044	5.5
115.05473	1.7
117.06999	10.4
119.08562	44.3
120.08904	3.0
121.06489	6.7
121.10120	36.8
122.10445	2.6
123.08066	7.3
123.11690	16.8
125.09621	6.2
127.11164	11.8
128.06166	1.8
129.06982	6.5
130.63930	1.5
131.08559	21.8
133.06499	3.3
133.10117	30.6
134.10358	1.8
135.07997	7.8
135.11688	20.9
136.12018	1.6
137.09602	8.5
137.13220	5.3
139.11137	2.5
143.08562	8.3
144.09235	2.6
145.10095	32.0
146.10411	2.2
147.08018	4.0
147.11668	50.2
148.12041	2.2
149.09575	5.4
149.12157	2.8
149.13243	31.7
151.07542	2.4
151.11139	4.0
153.08951	1.6
153.12671	2.6
155.08411	1.7
157.10103	9.4
159.08063	2.7
159.11670	30.0
161.09563	4.3
161.13229	25.1
163.11153	6.3
163.14745	5.9
165.12704	5.6
168.70781	1.4
169.10114	2.8
171.11650	15.5
173.13214	16.2
175.11194	3.5
175.14780	17.4
177.12723	5.8
177.16347	3.7
177.75455	1.5
179.14287	4.4
181.10104	2.0
181.12149	1.8
183.11699	3.1
185.13171	6.3
187.14803	16.0
189.09164	3.3
189.12709	6.2
189.16380	12.2
191.10570	1.6
191.14378	3.0
191.17961	4.1
193.12210	2.1
195.13712	3.2
197.13225	2.9
199.14790	6.9
201.16354	14.9
203.14259	2.7
203.17937	5.1
205.15884	11.6
207.10222	2.0
207.13734	12.0
207.17445	2.6
213.16406	4.7
215.14056	2.0
215.17908	4.3
217.15837	3.7
217.19505	3.6
219.17401	21.7
223.16902	5.0
225.14629	2.4
227.17949	2.1
231.17433	3.3
231.21063	2.9
233.18970	7.9
235.16844	2.4
235.20461	2.1
237.18486	10.0
253.87640	1.7
381.31537	1.8
383.21768	2.7
383.25925	2.6
393.31244	2.0
401.26880	2.8
409.34698	2.7
413.59729	1.9
415.27899	2.4
421.35233	7.9
439.31268	4.4
439.35733	8.8
457.28763	3.1
457.36423	14.8
475.31009	38.2
475.37659	100.0
476.31387	5.0
476.37997	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	475.3776
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
50.18906	1.4
53.03935	6.7
53.62403	1.3
55.01851	4.8
55.05503	21.9
57.02156	1.3
57.03416	5.1
57.07053	2.8
59.04991	2.1
63.98819	1.7
64.80254	1.5
65.03917	4.0
67.05493	60.6
69.03415	26.2
69.07051	24.0
69.59998	6.1
69.60427	4.8
71.04980	21.0
73.06539	5.4
77.03885	1.2
79.05477	52.6
80.05827	1.7
81.03412	5.2
81.07042	71.9
83.04969	12.1
83.08614	13.6
85.06543	4.2
89.67443	1.3
91.04889	1.7
91.05462	43.1
93.07026	74.1
94.07384	2.3
95.04953	13.7
95.08592	55.9
97.06505	15.9
97.10158	5.8
99.08073	15.0
105.04473	1.9
105.07011	40.1
106.07388	1.7
107.04898	3.5
107.08569	58.7
109.06499	8.6
109.09440	2.5
109.10139	28.7
111.08040	6.0
111.11696	1.6
114.83330	1.6
117.06997	7.0
119.08555	44.1
120.08968	1.7
121.06493	3.8
121.10125	46.5
123.08061	6.1
123.11690	7.3
125.09605	39.5
127.07525	3.0
127.11169	25.9
127.94715	1.6
128.94862	1.4
129.06953	8.5
130.07677	1.7
131.08540	14.0
133.10098	38.5
135.08035	4.1
135.11665	15.7
137.09576	3.7
137.13216	4.5
139.11153	45.3
141.09052	3.4
142.07741	2.4
143.08524	7.2
145.10100	29.2
146.10545	1.6
147.07999	3.1
147.11665	43.1
149.09651	2.1
149.13208	22.6
151.11176	5.3
153.12708	4.3
155.10625	13.1
157.10088	6.5
159.11656	27.5
161.09590	3.6
161.13228	21.3
163.11145	30.9
163.14789	15.9
164.11546	1.8
165.12735	24.3
167.14323	2.2
169.10052	4.0
170.10861	1.4
171.11636	15.8
173.13252	13.0
175.14778	7.9
177.12726	4.3
177.16376	2.5
179.14352	2.2
181.12305	1.5
183.11667	3.0
183.13785	19.5
185.13237	7.6
187.14764	17.5
189.12790	6.9
189.16324	9.2
191.14305	2.3
191.17894	2.4
193.15825	5.8
195.13783	4.1
195.17329	2.1
197.13283	3.9
199.11136	1.8
199.14743	4.7
201.16365	28.6
203.17918	66.9
205.15877	2.4
207.13770	19.5
209.15390	3.6
211.14941	2.8
211.16919	7.6
213.16380	10.1
215.17906	5.2
217.19481	3.9
219.17458	2.9
221.15341	3.0
225.14638	1.7
225.16522	2.7
227.17888	8.7
231.17552	3.6
233.18945	1.5
241.19427	1.8
249.18457	27.5
250.18739	2.4
251.20120	3.8
253.19467	6.8
255.21016	2.1
257.22379	1.5
259.20563	2.0
267.21222	2.3
269.22592	31.2
273.22046	3.7
277.21588	2.6
281.22659	8.2
287.23700	9.3
291.23337	2.0
295.22668	6.3
305.24600	3.1
325.25302	2.4
353.28421	4.0
379.31155	1.7
403.33713	3.0
421.34579	27.0
439.35657	100.0
440.35907	6.0
457.36707	19.8
475.30777	74.4
475.37769	9.6
476.31207	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	475.3775
Annotation	Sipholenone D
Peak:m/z	Relative Intensity
54.07481	2.9
55.05502	14.5
57.07057	6.4
67.05497	26.2
69.07056	29.3
70.78364	6.5
71.04978	45.4
71.08598	3.0
79.05476	17.0
81.07047	41.6
83.08596	11.0
85.06544	4.8
91.05462	23.9
93.07037	43.9
95.04947	4.6
95.08589	64.2
97.10150	5.7
99.08083	10.2
105.07012	46.2
107.08580	79.8
109.06497	5.2
109.10142	59.7
110.10499	2.4
111.08020	5.9
111.11700	3.1
117.06991	7.1
119.08563	82.5
121.06509	2.5
121.09303	5.2
121.10129	72.0
123.08060	6.4
123.11689	28.0
125.09599	10.8
127.11177	93.6
131.08549	18.9
133.10115	72.6
135.08025	4.5
135.11673	76.2
137.09642	3.5
137.13232	10.4
141.12695	3.4
145.10101	24.7
145.68224	3.0
147.07872	2.9
147.11678	38.7
149.09581	7.2
149.13240	39.3
157.10098	7.2
159.11678	23.2
161.09644	6.1
161.13232	100.0
162.13742	3.3
163.11180	5.3
163.14832	13.4
165.12704	4.9
171.11633	8.3
173.13216	23.5
175.11325	3.8
175.14793	24.2
177.12698	4.3
177.16383	15.3
179.14275	18.3
185.13220	5.5
187.14813	17.2
189.16348	21.0
191.14352	4.8
191.17924	21.4
193.15868	3.0
199.14833	5.4
201.16348	12.2
203.14299	3.2
203.17921	37.8
205.12093	3.1
205.15784	6.3
205.19440	5.4
207.13731	3.3
213.16296	6.5
215.17929	7.0
217.15915	4.3
217.19472	19.0
219.13846	4.9
219.17407	7.1
221.18958	23.2
223.16971	3.3
227.17952	4.6
229.19498	18.4
231.17464	5.8
231.21028	7.2
233.18985	6.2
235.20541	4.6
241.19302	2.7
245.18970	4.2
247.20531	57.4
249.18506	18.3
263.20041	5.8
265.21545	8.5
297.22028	3.6
299.23642	3.2
317.24670	3.4
335.27060	2.7
411.35944	5.7
421.34460	21.2
431.35190	6.3
439.35703	69.3
440.36163	4.9
445.36758	10.2
450.74423	3.1
457.36801	72.6
458.36734	3.8
475.32104	7.6
475.38007	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3776
Annotation	Sipholenone D
Peak:m/z	Relative Intensity
51.71120	3.8
53.03942	5.9
55.05499	20.5
57.03424	5.2
57.07052	11.7
57.22501	3.8
67.05494	43.7
68.05837	4.5
69.03416	4.4
69.07060	41.6
69.37954	40.4
71.04961	10.9
71.08624	5.5
79.05486	46.6
81.03381	5.6
81.07049	71.3
83.04937	6.0
83.08612	20.8
85.06534	9.4
86.33797	4.1
91.05462	32.8
93.07031	74.8
95.04959	11.1
95.08047	6.3
95.08602	78.2
97.06516	10.2
97.10143	7.3
98.20693	4.5
99.04420	5.2
99.08062	8.4
105.07013	57.5
107.08579	92.0
109.06512	10.6
109.10141	71.2
111.08041	5.6
111.11680	5.6
115.39851	4.0
117.06985	8.2
119.08565	90.6
121.10129	87.1
123.08047	12.3
123.11697	29.8
125.09599	4.8
127.11177	14.7
129.07030	6.7
131.08554	28.7
133.10123	78.0
135.08041	13.0
135.11667	52.9
137.09642	7.2
137.13226	10.4
137.97617	4.2
143.08524	8.3
145.10101	38.3
147.08073	3.9
147.11671	63.3
149.09590	9.9
149.13258	33.6
151.11211	6.1
151.14775	4.7
155.08498	4.8
156.09363	5.8
157.10138	22.4
158.10841	5.1
159.11658	46.0
161.09692	5.6
161.13232	41.9
163.11212	8.8
163.13609	5.0
163.14822	17.4
168.01237	4.1
169.10132	5.3
171.11693	16.0
173.13266	33.1
175.11150	5.5
175.14799	33.6
177.12740	17.7
177.16362	35.7
178.16930	4.4
183.11711	7.5
185.13231	11.8
187.14816	33.1
189.12836	7.2
189.16389	63.9
191.17982	22.9
199.14787	14.3
201.12723	6.1
201.16371	16.0
203.14243	10.8
203.17950	24.1
205.15849	14.3
207.13690	10.6
207.17361	10.2
213.16339	17.0
215.17952	10.3
217.15875	18.4
217.19443	20.4
219.13831	8.9
219.17317	11.8
221.18936	7.0
227.18079	5.7
231.17392	12.0
233.18987	12.5
235.16911	15.1
235.20441	4.4
344.94006	5.4
378.12213	4.3
403.33737	5.7
411.36118	12.9
421.34604	48.7
429.37131	9.0
439.35828	66.6
440.35828	5.9
457.37030	100.0
458.37064	6.0
475.31787	49.1
475.38690	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	475.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.5
55.05503	2.8
57.07056	1.1
65.85371	0.5
67.05486	5.0
68.65558	0.5
69.07053	5.6
69.38449	4.6
69.48856	0.4
75.01723	0.5
79.05470	2.5
81.07043	9.4
83.04981	1.0
83.08585	1.8
85.06506	1.6
91.05444	3.2
93.07032	8.2
95.04971	0.6
95.08593	17.0
97.10126	0.6
98.20770	1.1
99.04439	2.5
101.05987	2.1
102.71130	0.5
105.06303	0.5
105.07011	12.4
107.08573	13.1
108.08915	0.5
109.06503	1.4
109.10145	8.9
111.08075	0.8
116.44074	0.5
117.06952	1.1
119.08563	23.4
121.06464	0.8
121.10131	11.1
123.08065	1.1
123.11675	3.7
125.05938	0.5
125.55282	0.5
129.06958	0.6
131.08554	2.5
133.10112	14.4
135.08038	1.1
135.11658	9.6
137.05898	0.6
137.09627	0.6
137.13191	1.4
143.08464	1.0
145.10109	10.9
146.10939	0.5
147.11661	34.2
149.09526	1.1
149.13248	5.1
151.11147	0.7
153.09074	1.0
157.10074	2.1
159.11653	11.3
161.13216	6.7
163.11143	1.8
163.14815	6.6
165.12730	12.1
167.10654	0.7
171.11621	1.5
173.13216	6.3
175.11142	3.7
175.14790	8.5
177.12711	1.5
177.16321	1.0
179.10583	0.6
179.14267	1.0
181.12257	1.6
183.11649	0.5
185.13214	1.4
187.14804	8.3
189.12692	1.7
189.16348	52.9
190.16621	0.9
191.14261	2.3
191.17909	2.7
193.12215	12.4
193.15907	1.0
195.13751	2.2
197.13170	0.8
199.14801	1.3
201.16353	5.0
203.14153	0.7
203.17955	7.0
205.15793	0.6
205.19513	0.9
207.13855	6.0
207.17406	26.5
208.17719	0.5
209.13341	0.6
209.15291	1.4
213.16316	2.2
215.17923	8.1
217.19438	1.2
221.15318	1.0
221.18976	0.7
223.16956	1.1
227.17755	0.6
233.18997	3.7
235.16838	2.3
241.19406	0.6
243.17404	0.7
249.18454	7.9
251.20030	5.0
261.18329	0.8
293.91132	0.5
361.28644	1.1
379.29953	5.3
397.30945	37.4
398.31183	1.2
415.32004	29.4
416.32404	1.1
433.33014	2.9
439.35608	1.0
457.36636	1.1
475.32339	100.0
475.37909	11.7
476.32736	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	475.3777
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
55.05499	19.8
57.03421	6.6
57.07071	10.8
67.05508	30.1
69.07067	35.2
71.04986	25.0
79.05489	26.9
81.03400	7.5
81.07047	51.9
83.08611	16.7
91.05477	25.0
92.33234	4.6
93.07034	52.9
95.04967	9.8
95.08587	99.6
97.06526	6.2
97.10154	8.2
99.08040	5.2
105.07018	38.4
107.04945	6.1
107.08572	71.7
109.06509	10.4
109.10153	47.5
111.11713	6.3
116.06044	4.6
117.06976	23.8
119.08567	82.7
121.10123	57.7
123.08065	10.9
123.11689	25.6
125.09631	8.9
127.11162	41.1
129.06967	9.1
131.08598	25.0
133.10127	52.7
135.11711	39.6
137.09570	8.0
137.13249	11.8
143.08528	13.0
144.09373	6.2
145.10112	54.2
147.11671	49.7
149.09608	11.1
149.13245	22.2
157.10139	19.9
159.11664	70.3
161.13298	36.6
163.14833	15.9
169.10083	6.7
169.83308	5.0
171.11708	19.8
173.13252	34.7
175.14801	18.2
177.12770	5.5
177.16406	7.3
179.14331	5.1
184.12511	8.0
185.13232	16.7
187.14761	25.7
189.16351	89.2
191.14294	11.2
191.17946	14.0
195.13882	6.5
197.13290	9.4
199.14767	33.1
201.16380	51.7
203.14310	5.9
203.17975	15.6
207.17453	21.7
211.14781	8.9
213.16319	10.2
215.17924	52.8
219.17516	4.9
225.16441	7.8
231.17531	5.1
233.19011	32.0
235.16895	6.0
251.20097	11.5
257.73779	4.9
267.21005	5.2
281.22711	6.9
299.23599	6.9
421.34576	79.6
439.30914	6.8
439.35855	100.0
440.35855	8.2
457.37314	27.2
475.32181	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3774
Annotation	CHEMBL1651034
Peak:m/z	Relative Intensity
53.03908	6.0
55.05499	18.6
57.03431	5.7
57.07061	4.3
67.05484	24.5
69.07052	23.9
69.75761	8.8
69.76172	26.6
71.04981	25.4
79.05478	21.2
81.07044	40.6
83.04987	5.9
83.08603	11.9
91.05457	21.1
93.07037	36.1
95.08600	64.9
97.06514	4.5
98.98463	6.2
105.06989	24.3
107.08585	49.0
109.10138	45.6
111.08054	5.1
119.08566	46.6
119.81062	4.3
121.10145	38.2
123.08054	7.0
123.11687	14.3
125.09610	7.0
127.11154	36.0
129.06979	5.2
131.08542	13.8
133.10121	40.2
135.11676	28.0
136.99994	5.9
143.08565	10.2
145.10127	33.9
147.11687	36.2
149.13228	22.4
155.01085	6.5
157.10147	14.6
159.11652	37.2
161.13261	21.5
163.14795	7.8
171.11717	15.8
173.13286	23.0
175.14828	16.5
183.11719	6.9
184.12502	5.9
185.13327	9.9
187.14787	22.3
189.12775	5.6
189.16368	31.2
191.17947	5.9
197.13301	11.6
199.14752	26.7
201.16360	77.4
203.17900	6.6
207.13785	5.4
211.14851	10.3
213.16399	16.6
215.18036	7.5
217.19534	6.2
219.17332	5.9
225.16394	7.7
229.19397	7.3
233.19005	11.0
238.94647	5.3
253.19450	5.8
259.20566	12.8
267.21109	11.9
285.22171	4.3
299.23752	9.3
317.24582	5.5
355.26154	6.1
356.56232	4.5
357.11951	4.3
403.33652	4.3
408.24396	4.7
421.34579	88.4
422.34570	5.9
439.35626	100.0
440.35779	6.3
457.37280	8.3
475.33041	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3415
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
50.43413	1.9
53.03932	5.1
55.01857	4.6
55.05506	16.6
56.02705	1.9
57.03431	16.8
57.07065	45.7
59.04996	2.7
61.02638	3.3
61.02921	43.8
67.05495	33.7
69.03422	23.4
69.07052	24.1
69.28372	16.3
69.28785	6.4
71.01353	3.6
71.04990	18.4
71.08621	30.3
73.02911	19.3
79.05478	19.0
81.03409	16.1
81.06572	3.5
81.07050	49.6
83.04964	5.9
83.08624	16.5
85.02894	42.3
85.06470	2.1
85.10178	15.0
86.89042	1.9
87.04465	2.5
91.03947	26.9
91.05451	15.0
93.07037	43.5
95.04932	5.7
95.08597	56.7
97.02879	33.9
97.06503	2.7
97.10150	11.0
98.21447	4.4
99.04429	9.5
99.08068	6.1
100.45815	2.1
101.02367	8.7
103.03925	5.8
105.07014	40.9
105.07676	3.6
105.68140	2.1
107.08576	45.9
109.02859	7.9
109.06494	4.1
109.10143	40.8
110.10490	2.9
111.08118	2.0
111.11665	2.5
115.03934	2.7
117.05453	3.2
117.07012	5.6
119.08575	59.1
119.09426	2.9
120.08893	2.7
121.06475	4.6
121.10134	66.0
122.10400	2.3
123.08035	8.8
123.11709	17.5
125.06022	2.3
125.09642	5.1
127.03902	20.0
127.11174	14.6
129.05452	3.9
129.06960	3.7
131.08542	12.7
133.06505	2.7
133.10109	44.1
135.08052	8.8
135.11671	20.2
137.04538	2.2
137.05911	2.0
137.09615	4.8
137.13266	5.7
139.07507	2.4
143.08557	6.6
145.04953	5.0
145.10117	21.8
147.08015	6.9
147.11662	38.4
149.09593	6.5
149.13246	14.8
151.07521	3.7
151.11180	3.5
151.14819	3.0
155.47697	2.0
157.10121	9.6
158.27222	2.2
159.06546	2.4
159.11690	28.8
161.09642	9.6
161.13231	38.9
163.11156	15.7
163.14784	6.2
165.09055	6.5
165.12767	3.9
171.11673	8.9
173.09616	2.7
173.13266	14.0
175.11224	4.9
175.14799	71.0
175.16246	4.2
176.15143	2.2
177.12729	9.0
177.16365	3.3
179.10651	3.1
183.06444	5.4
185.13258	7.1
187.11153	2.1
187.14813	8.9
189.12703	5.4
189.16388	18.2
191.14413	3.5
191.17871	3.3
197.13214	3.5
199.14842	11.3
201.07539	4.6
201.16322	18.8
203.14278	9.9
203.17975	4.3
205.12227	3.1
207.13766	19.6
207.17549	2.3
211.14827	4.5
213.16434	5.1
215.14354	2.6
215.17978	5.4
217.15923	10.2
217.19427	3.5
219.17459	25.5
221.15376	29.1
223.13290	3.1
229.15947	2.5
231.13806	4.0
231.17542	3.0
233.19055	4.2
235.16942	2.3
237.18469	4.0
239.17853	2.4
239.23671	26.0
257.24857	2.9
283.20462	2.5
285.22003	2.7
285.70105	2.2
313.27319	97.5
314.27579	3.9
323.27325	6.4
329.21310	2.6
341.26837	4.8
351.26862	3.4
355.28558	3.0
367.26450	2.8
369.27951	4.2
393.31418	4.0
411.32556	6.4
421.30817	6.9
439.31558	44.2
457.32886	100.0
458.33554	4.8
475.33572	63.4
476.34024	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3413
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
53.03931	7.9
55.01851	9.2
55.05502	37.8
57.03425	6.2
57.07052	5.7
59.04982	2.8
65.03928	4.9
67.05494	69.8
68.05794	2.9
69.03408	3.6
69.07055	35.8
71.04982	15.8
79.05481	65.4
80.05808	2.7
81.03398	27.8
81.07043	94.8
83.04961	10.4
83.08600	21.4
85.06528	10.9
90.88548	2.8
91.05464	57.1
93.06463	5.1
93.07030	83.3
95.04961	24.2
95.08591	78.7
97.02904	2.5
97.06515	19.7
97.10155	9.1
99.04436	3.1
99.08072	11.7
105.07012	59.9
107.04915	13.1
107.08576	100.0
108.19135	2.5
109.06503	21.3
109.09441	5.4
109.10133	60.5
111.04420	4.7
111.08073	15.9
113.09613	5.6
115.05385	3.5
117.06996	16.1
119.04947	2.5
119.08562	83.5
120.08946	2.6
121.02855	2.6
121.06463	14.0
121.10123	70.4
123.08054	32.9
123.11678	21.6
125.05974	3.5
125.09612	10.7
127.07465	3.7
127.11155	8.1
128.06157	3.1
129.06975	16.4
131.08539	28.2
133.06430	5.8
133.10106	64.3
135.04370	3.5
135.08022	11.4
135.11674	39.5
137.05946	3.4
137.09558	16.0
137.13239	7.2
139.07513	3.5
142.07826	6.3
142.35045	2.8
143.08521	19.0
145.06445	5.5
145.10120	41.2
147.04414	3.4
147.08058	7.9
147.11671	50.1
149.06007	3.4
149.09595	11.6
149.12114	4.1
149.13217	25.5
151.11165	12.3
151.14771	3.5
153.09050	3.6
153.12740	6.4
155.08493	4.1
157.10085	14.8
159.07991	3.0
159.11681	46.3
160.12161	2.9
161.05986	2.9
161.09605	8.1
161.13237	36.1
163.07500	3.1
163.11176	24.2
163.14790	18.9
165.09082	5.5
165.12727	7.9
169.10092	7.6
171.11646	18.8
173.09573	7.3
173.13216	34.3
175.11177	12.4
175.14799	48.0
177.09137	2.6
177.12723	20.9
177.16348	11.2
179.14246	13.4
181.10025	3.3
181.12181	8.7
183.11644	6.8
185.09674	2.9
185.13220	12.7
187.11159	5.9
187.14798	20.3
189.09070	3.2
189.12648	17.3
189.16350	29.6
191.10661	5.4
191.14258	15.7
193.12213	14.4
195.13783	6.3
197.13293	7.5
199.11205	4.0
199.14804	9.7
200.15454	2.6
201.12654	5.1
201.16380	18.9
203.14261	10.3
203.17879	8.0
205.12224	5.9
205.15863	7.9
207.13725	15.1
207.17493	3.3
209.11613	4.2
209.13361	3.3
211.14789	5.1
211.71622	2.9
213.16391	6.7
215.14322	6.9
215.17935	15.9
217.15932	13.6
219.13782	10.3
219.17412	36.2
221.15331	15.8
221.18942	3.2
223.14804	4.1
225.14659	3.9
227.12680	18.2
227.17831	5.5
229.19521	2.8
229.73155	4.0
231.13803	3.6
231.17358	5.2
233.15303	10.3
233.18971	11.9
235.16888	4.0
237.14783	5.3
239.16266	7.1
243.17403	8.9
245.18913	4.3
247.13252	8.4
247.16811	3.6
249.18311	3.6
251.16403	10.4
253.19481	3.3
261.18317	7.2
263.20114	3.6
273.18637	3.7
299.23520	4.9
355.22684	3.3
365.21033	4.3
379.29840	8.4
383.21829	13.7
393.31488	15.6
397.31006	11.0
401.22623	6.2
403.29745	3.0
411.32614	26.0
421.30826	32.4
429.33505	10.0
439.31714	43.7
457.25793	12.5
457.33054	32.1
475.26837	48.3
475.32318	54.6
476.27090	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	475.341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.5
55.01836	0.7
55.05502	2.2
56.18399	0.1
57.03411	0.5
57.07061	0.2
57.93082	0.2
59.04985	0.2
61.64800	0.2
65.03920	0.3
67.05494	6.0
69.03429	0.8
69.07064	1.7
69.97324	0.5
71.04947	0.6
74.34840	0.1
79.05486	2.9
81.03407	2.4
81.06589	0.4
81.07043	6.9
82.07377	0.2
83.04971	1.6
83.08611	1.3
85.02880	0.4
85.06499	0.6
87.47410	0.2
91.05460	2.5
93.07025	2.9
94.27665	0.2
95.04949	1.8
95.08590	5.6
97.06492	0.5
97.10133	1.1
98.21468	0.3
99.04418	0.3
101.05968	0.5
103.05394	0.2
105.06998	2.1
107.04929	1.5
107.08577	2.9
109.02818	0.4
109.06543	0.8
109.10139	6.6
111.04403	0.3
111.08046	0.7
111.11689	0.2
113.09586	0.3
117.07015	1.0
119.04890	0.2
119.08556	4.2
121.02859	0.3
121.06471	0.8
121.10119	1.7
122.07289	1.6
123.04401	0.2
123.08032	0.7
123.11686	1.5
125.02264	0.2
125.05958	0.4
125.09602	1.1
127.03878	0.3
127.11141	0.4
128.06203	0.3
129.05376	0.2
129.06976	0.8
131.04861	0.4
131.08540	1.4
133.06430	0.6
133.10069	1.2
135.08009	0.7
135.11690	1.5
137.05940	0.6
137.09592	10.5
137.13210	0.6
137.54680	0.2
141.12900	0.2
142.07787	0.3
143.08524	0.4
145.06473	0.5
145.10106	1.3
147.04376	0.2
147.08002	0.7
147.11668	1.0
149.05930	0.2
149.09581	1.7
149.13232	0.8
151.07529	0.5
151.11093	0.2
151.14792	0.6
153.09073	0.5
153.12682	0.4
155.08504	0.4
157.06474	0.3
157.10114	0.8
159.08063	0.6
159.11682	0.4
160.05180	0.2
161.05968	1.3
161.09579	0.5
161.13232	0.5
163.07579	0.3
163.11176	1.4
163.14816	0.5
165.09084	100.0
166.09418	1.3
167.06976	0.4
169.10071	0.4
171.08015	0.3
171.11687	0.4
173.05971	0.4
173.09592	0.5
173.13174	0.3
175.07538	0.5
175.11169	0.7
175.14778	0.3
177.09151	0.8
177.12770	0.3
177.16426	0.3
179.10652	0.7
181.12233	0.3
183.11818	0.3
185.09576	0.3
185.13269	0.3
187.07530	0.2
187.11160	0.5
189.09082	0.5
189.11162	0.4
189.12746	0.7
189.16327	0.3
191.10641	0.9
191.14297	0.2
193.12219	0.8
199.14857	0.3
201.08936	0.2
201.12646	0.3
203.10701	0.4
203.14293	0.2
203.17894	0.2
204.31233	0.2
205.12180	3.5
207.13754	0.3
209.11572	0.2
211.11205	0.2
213.12730	0.2
217.12418	0.2
219.13850	0.3
227.12737	1.3
229.12189	0.2
231.13768	0.2
243.13953	0.3
247.13347	0.6
247.16920	0.2
251.23669	0.2
259.24252	0.2
265.14240	0.3
269.15280	0.2
271.13406	0.4
273.14832	0.4
277.25211	0.2
285.14529	0.2
289.14304	0.7
311.09137	0.3
317.29572	0.2
323.25797	0.8
337.21518	0.2
355.22672	0.5
365.21286	0.7
373.23419	0.2
383.22043	3.0
383.26263	0.2
401.23026	1.2
411.32495	0.2
419.24350	0.2
429.33823	0.7
431.24551	0.4
439.25092	0.5
439.36459	0.4
457.25821	3.2
475.26984	7.6
475.34201	1.1
476.27289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71009	0.2
53.03930	0.5
55.01859	0.8
55.05502	3.2
57.03420	0.6
57.07062	0.3
58.84592	0.2
65.03921	0.4
65.90119	0.2
67.05495	6.5
69.03406	0.8
69.07060	2.0
71.04969	0.8
71.08616	0.2
72.35898	0.2
78.24538	0.2
79.05486	3.7
81.02964	0.3
81.03402	3.0
81.07047	8.2
83.04987	1.5
83.08605	1.9
85.02884	0.2
85.06520	0.4
91.05467	3.6
93.07035	3.6
95.04947	2.2
95.08597	6.3
96.59483	0.2
97.02872	0.4
97.06506	0.8
97.10163	1.4
98.20633	0.3
99.08086	0.3
101.06010	0.5
103.05431	0.3
105.07019	2.4
107.04951	1.6
107.08581	2.9
109.02876	0.4
109.06495	0.8
109.10144	7.7
109.10900	0.4
111.04433	0.3
111.08044	0.6
113.09630	0.3
115.05467	0.3
117.07009	1.1
119.07775	0.3
119.08565	4.2
120.52384	0.2
121.02838	0.4
121.06504	1.4
121.10125	2.3
122.07294	1.4
123.04369	0.4
123.08066	0.7
123.11697	1.5
125.05934	0.2
125.09581	1.2
126.91113	0.2
128.06181	0.5
129.06964	0.9
131.04895	0.4
131.08539	1.4
133.06450	0.8
133.10129	1.6
135.04395	0.2
135.08028	1.1
135.11679	1.4
137.05933	0.5
137.09598	10.5
137.13220	0.5
139.11163	0.2
141.06958	0.4
143.08574	0.6
145.06470	0.9
145.10086	1.6
147.04364	0.6
147.08029	0.8
147.11639	1.0
149.05885	0.3
149.09605	2.1
149.13220	0.8
151.07521	1.1
151.11082	0.3
151.14795	0.8
153.09036	0.4
153.12689	0.6
155.08514	0.5
157.06491	0.2
157.10126	0.9
159.08035	0.6
159.11667	0.5
160.05142	0.3
161.05934	1.0
161.09554	0.4
161.13237	0.4
163.07535	0.3
163.11163	1.8
163.14784	0.8
165.09088	100.0
166.09392	1.4
167.07005	0.8
167.08354	0.2
169.10147	0.3
171.08034	0.4
171.11697	0.6
173.05998	0.3
173.09595	0.8
173.13203	0.5
174.06819	0.2
175.07581	0.5
175.11165	0.8
175.14844	0.2
177.07759	0.2
177.09093	0.8
177.12755	0.3
179.10657	0.9
181.12224	0.3
183.07971	0.3
183.11659	0.4
183.17291	0.2
185.05962	0.3
185.09711	0.2
185.13248	0.4
187.07547	0.3
187.11090	0.5
189.09073	0.6
189.11172	0.4
189.12732	0.5
189.16496	0.4
190.09877	0.3
191.10594	1.0
191.14328	0.2
193.12198	0.8
195.11574	0.2
197.13231	0.2
201.12761	0.4
203.10658	0.4
203.14253	0.4
205.12190	3.7
207.13768	0.2
209.11601	0.4
211.07501	0.2
211.11179	0.3
211.14677	0.2
213.12708	0.3
217.15923	0.2
227.12599	1.6
231.13708	0.4
246.89725	0.2
247.13297	0.8
249.14795	0.3
257.11758	0.2
259.24207	0.3
269.15341	0.3
271.13251	0.5
273.14749	0.4
277.25134	0.4
289.14243	0.7
311.09052	0.6
323.25754	1.0
337.21429	0.3
355.22598	0.4
365.20871	0.7
377.25192	0.2
383.22000	3.2
391.59439	0.2
401.23044	1.3
421.23633	0.3
421.34888	0.4
429.33408	0.6
431.24164	0.5
439.24792	0.6
439.36169	1.0
457.25900	2.9
457.36478	0.7
475.26776	9.2
475.32910	2.4
476.27054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81497	1.3
52.18121	1.8
53.03939	8.2
55.01847	5.4
55.05267	1.8
55.05506	24.0
55.61963	1.3
57.03427	7.9
57.07061	3.6
59.04976	2.0
61.66645	1.5
65.03919	4.4
67.05495	83.8
69.03405	2.2
69.07057	33.3
70.68887	4.4
71.04997	7.6
71.82712	1.3
74.28934	1.6
75.39844	1.4
79.05482	75.5
81.03407	12.9
81.07043	100.0
83.04967	11.2
83.08215	1.5
83.08614	19.0
85.06499	6.5
91.04886	3.5
91.05464	60.6
93.07028	99.3
94.07339	1.9
95.04956	26.0
95.08592	58.6
96.08898	1.8
97.02908	1.6
97.06532	11.3
97.10125	8.9
99.08040	6.2
104.85725	1.5
105.04468	1.7
105.07015	46.1
107.04951	9.4
107.08576	66.9
108.08930	1.8
109.06519	9.8
109.10138	27.6
111.08046	6.3
115.05443	1.9
117.06990	15.0
119.08560	42.6
119.09437	2.2
121.06467	6.9
121.10126	33.3
122.10430	1.9
123.08049	9.5
123.11698	11.5
125.05941	1.8
125.09592	4.7
127.07565	1.6
127.11141	6.7
128.06166	3.3
129.06993	16.7
131.08549	19.3
133.06490	2.8
133.10109	28.5
135.08017	5.2
135.10693	1.8
135.11676	22.8
136.11975	2.0
137.09558	5.1
137.13200	3.6
139.07411	1.6
139.11159	2.5
141.06886	1.6
141.09125	2.2
142.07693	1.6
143.08521	11.4
145.06355	2.1
145.10110	25.0
147.07994	5.5
147.11662	41.8
148.12013	2.0
149.09540	4.8
149.13234	29.3
151.11136	8.1
153.09132	1.9
155.08511	2.9
157.10071	5.7
159.11652	21.1
161.09566	5.2
161.13242	23.9
163.11156	4.2
163.14818	3.7
165.09108	2.4
165.12761	4.0
169.10106	2.5
171.11638	23.9
173.09453	1.7
173.13246	10.6
175.11140	2.3
175.14865	8.0
176.15128	1.6
177.12675	6.1
177.16364	4.1
179.14272	2.5
183.11649	3.3
185.13358	2.9
187.11172	1.9
187.14830	8.6
189.12709	15.0
189.16362	10.9
191.14264	4.1
191.17981	2.4
193.12207	2.5
195.13789	8.0
197.13190	1.9
199.14758	3.3
201.16356	8.5
203.14270	1.9
203.17917	5.0
205.15817	3.9
207.13762	26.8
207.17226	2.7
211.14783	2.3
213.16400	2.5
215.14227	2.8
215.17812	3.9
217.15819	2.8
217.19380	2.7
219.13670	1.9
219.17403	3.2
223.16884	2.9
225.14777	5.1
227.17920	1.9
231.17447	3.3
231.20868	2.0
233.15283	8.2
233.18948	2.8
235.17001	2.3
251.16353	3.3
257.08206	1.6
271.20520	1.8
273.18719	1.4
289.14334	1.5
299.24014	1.9
313.10883	1.9
355.26160	1.8
359.29404	1.9
393.31439	3.5
411.32275	8.0
421.30273	2.4
429.33640	7.4
439.35431	10.2
440.32629	1.9
457.32312	9.5
457.36862	5.2
475.30484	95.1
475.36655	5.3
476.30826	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.9
53.03939	4.7
55.01847	2.7
55.05255	1.5
55.05501	18.8
57.03424	4.5
57.07057	2.7
60.03230	0.8
65.03920	2.6
67.05492	53.6
69.03414	8.1
69.07053	20.4
70.23065	3.6
71.04980	8.7
73.06537	3.0
77.03905	1.6
79.05479	54.7
81.03407	7.6
81.07042	63.1
83.04965	11.1
83.08205	0.9
83.08607	11.6
85.06528	5.0
87.21571	0.8
89.44018	0.9
91.05466	39.3
93.07029	62.5
94.07360	0.9
95.04958	14.4
95.08588	37.0
97.06509	12.3
97.10133	3.2
99.08082	5.5
103.05460	1.3
105.04496	1.6
105.07011	34.6
107.04942	3.4
107.08574	37.6
109.06509	6.9
109.10138	12.4
111.08058	6.0
111.11679	1.5
111.56550	0.8
113.09628	1.2
115.05418	1.2
117.07005	9.8
119.08562	25.6
121.06472	2.9
121.10120	28.1
123.08059	5.0
123.11692	6.3
125.09612	17.7
127.07509	2.0
127.11166	10.1
128.06210	1.9
129.06970	8.9
131.08545	9.5
133.10107	19.9
135.08017	3.7
135.11658	11.8
137.09569	2.1
137.13219	2.4
139.07535	1.4
139.11159	15.0
141.09074	2.0
143.08510	6.9
145.10089	14.0
147.08018	1.7
147.11661	30.5
149.09621	1.4
149.13229	19.8
151.07452	1.0
151.11145	2.7
153.09030	1.1
153.12672	0.9
155.10649	3.2
157.10049	3.4
158.10870	1.0
159.11650	17.9
161.09596	2.8
161.13219	12.9
163.11160	13.6
163.14792	8.2
165.12732	9.1
169.10030	1.7
171.11665	17.8
173.13245	5.3
175.14799	2.9
177.12737	4.1
177.16365	1.3
179.14241	2.3
181.12300	0.8
183.11665	1.7
183.13768	6.4
185.13197	3.2
187.14760	8.5
189.12737	7.2
189.16350	4.1
191.14268	2.1
191.17880	1.5
193.15897	1.5
195.13802	3.9
197.13185	1.0
199.14749	2.4
201.16394	10.0
203.17941	22.4
205.15794	1.8
207.13750	23.6
209.15306	1.0
211.14877	1.3
211.16876	3.4
213.16356	3.8
215.17896	2.7
217.15778	1.0
217.19426	1.0
218.65881	0.9
221.15363	1.6
225.14769	3.7
227.17815	2.5
231.17453	1.7
234.58530	0.9
239.18054	1.2
241.19522	1.1
249.18422	11.4
253.19498	1.3
255.21007	1.0
269.17419	1.2
269.22623	9.7
273.22000	1.7
277.21655	1.1
281.17526	1.6
281.22592	2.9
287.23602	3.5
291.23151	1.4
295.22745	2.6
350.28714	0.8
351.26599	1.0
365.28302	1.1
403.33298	1.4
421.34650	10.9
439.35690	34.6
457.37143	8.2
475.31049	100.0
476.30997	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	475.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81497	1.3
52.18121	1.8
53.03939	8.2
55.01847	5.4
55.05267	1.8
55.05506	24.0
55.61963	1.3
57.03427	7.9
57.07061	3.6
59.04976	2.0
61.66645	1.5
65.03919	4.4
67.05495	83.8
69.03405	2.2
69.07057	33.3
70.68887	4.4
71.04997	7.6
71.82712	1.3
74.28934	1.6
75.39844	1.4
79.05482	75.5
81.03407	12.9
81.07043	100.0
83.04967	11.2
83.08215	1.5
83.08614	19.0
85.06499	6.5
91.04886	3.5
91.05464	60.6
93.07028	99.3
94.07339	1.9
95.04956	26.0
95.08592	58.6
96.08898	1.8
97.02908	1.6
97.06532	11.3
97.10125	8.9
99.08040	6.2
104.85725	1.5
105.04468	1.7
105.07015	46.1
107.04951	9.4
107.08576	66.9
108.08930	1.8
109.06519	9.8
109.10138	27.6
111.08046	6.3
115.05443	1.9
117.06990	15.0
119.08560	42.6
119.09437	2.2
121.06467	6.9
121.10126	33.3
122.10430	1.9
123.08049	9.5
123.11698	11.5
125.05941	1.8
125.09592	4.7
127.07565	1.6
127.11141	6.7
128.06166	3.3
129.06993	16.7
131.08549	19.3
133.06490	2.8
133.10109	28.5
135.08017	5.2
135.10693	1.8
135.11676	22.8
136.11975	2.0
137.09558	5.1
137.13200	3.6
139.07411	1.6
139.11159	2.5
141.06886	1.6
141.09125	2.2
142.07693	1.6
143.08521	11.4
145.06355	2.1
145.10110	25.0
147.07994	5.5
147.11662	41.8
148.12013	2.0
149.09540	4.8
149.13234	29.3
151.11136	8.1
153.09132	1.9
155.08511	2.9
157.10071	5.7
159.11652	21.1
161.09566	5.2
161.13242	23.9
163.11156	4.2
163.14818	3.7
165.09108	2.4
165.12761	4.0
169.10106	2.5
171.11638	23.9
173.09453	1.7
173.13246	10.6
175.11140	2.3
175.14865	8.0
176.15128	1.6
177.12675	6.1
177.16364	4.1
179.14272	2.5
183.11649	3.3
185.13358	2.9
187.11172	1.9
187.14830	8.6
189.12709	15.0
189.16362	10.9
191.14264	4.1
191.17981	2.4
193.12207	2.5
195.13789	8.0
197.13190	1.9
199.14758	3.3
201.16356	8.5
203.14270	1.9
203.17917	5.0
205.15817	3.9
207.13762	26.8
207.17226	2.7
211.14783	2.3
213.16400	2.5
215.14227	2.8
215.17812	3.9
217.15819	2.8
217.19380	2.7
219.13670	1.9
219.17403	3.2
223.16884	2.9
225.14777	5.1
227.17920	1.9
231.17447	3.3
231.20868	2.0
233.15283	8.2
233.18948	2.8
235.17001	2.3
251.16353	3.3
257.08206	1.6
271.20520	1.8
273.18719	1.4
289.14334	1.5
299.24014	1.9
313.10883	1.9
355.26160	1.8
359.29404	1.9
393.31439	3.5
411.32275	8.0
421.30273	2.4
429.33640	7.4
439.35431	10.2
440.32629	1.9
457.32312	9.5
457.36862	5.2
475.30484	95.1
475.36655	5.3
476.30826	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
55.01859	6.5
55.05254	1.4
55.05501	17.9
57.03418	4.6
59.04974	1.4
65.03937	1.5
67.05167	1.5
67.05498	26.4
69.03430	2.2
69.07066	6.6
71.04980	1.6
75.60561	0.9
79.05479	23.0
81.03410	13.2
81.07045	20.4
83.04956	3.5
83.08604	10.8
85.02890	1.1
85.06535	1.4
91.05458	15.2
93.07033	15.9
95.04948	11.9
95.08591	12.6
97.02872	1.2
97.06528	3.2
97.10154	11.6
103.05444	1.2
105.03317	0.9
105.07019	13.0
107.04939	8.2
107.08579	13.3
107.41614	0.9
109.02850	5.9
109.04162	0.9
109.06497	3.0
109.10139	11.2
111.04396	1.6
111.08064	2.1
115.05457	1.9
117.06978	9.5
119.04928	2.6
119.08570	10.3
121.06479	7.5
121.10130	7.6
123.04446	2.6
123.08042	4.0
123.11665	1.3
125.02336	2.5
125.06010	1.0
125.09622	7.7
128.06229	1.8
129.06985	7.1
131.04915	4.4
131.08528	7.8
133.06493	7.0
133.10110	5.0
135.04359	1.8
135.08025	4.1
135.11682	5.9
137.05988	2.2
137.13329	0.9
141.06976	3.0
143.08496	4.7
145.06464	9.1
145.10149	6.9
147.04391	3.6
147.08002	5.6
147.11671	3.4
149.05991	1.8
149.09607	3.4
153.09117	1.9
155.08530	4.4
157.06503	4.4
157.10097	4.9
159.04404	1.3
159.08020	4.7
159.11705	2.8
160.05228	2.8
161.05951	16.4
161.09654	3.1
163.07532	1.4
163.11168	6.1
165.06976	1.3
165.09114	3.9
167.06992	1.4
167.08537	2.0
169.06511	2.8
169.10118	3.7
171.08052	3.6
171.11610	2.2
173.05962	3.9
173.09641	5.4
173.11778	1.7
173.13261	1.7
175.07545	2.8
175.11179	3.8
175.14760	1.1
179.08495	1.1
181.06514	1.3
181.10143	1.3
183.08092	3.1
183.11653	2.0
185.05937	1.7
185.09575	1.5
185.13246	2.2
187.07529	2.0
187.11142	2.5
189.09045	3.4
189.11200	2.9
191.10657	1.9
193.12215	3.5
195.11694	2.0
197.09593	2.2
197.13211	1.7
199.11140	2.0
199.14726	1.4
201.09047	2.0
201.12733	2.4
203.14255	1.2
205.12274	3.2
211.11168	3.9
213.09320	1.4
213.12708	2.8
225.12697	2.0
227.12604	4.5
229.12161	1.2
231.13823	3.7
237.10995	1.4
241.12193	1.0
242.93637	1.0
243.13852	3.2
267.66302	0.9
269.15286	3.8
271.13248	4.0
273.14755	4.9
285.14847	3.1
287.16431	2.6
289.14255	11.3
303.15900	1.5
337.21579	2.1
347.20108	1.8
355.22482	4.7
365.21063	10.6
383.22113	48.5
384.22455	1.6
401.23169	19.2
402.23712	1.3
403.22491	1.5
419.24249	2.7
421.23715	3.2
431.24307	4.1
439.24548	6.2
457.25781	41.4
458.26212	1.8
475.26852	100.0
476.27161	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	475.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68636	1.3
56.96318	1.8
56.96560	17.4
57.37517	1.3
60.04535	1.8
61.79699	1.4
62.42170	1.6
69.03418	5.1
71.04973	1.5
71.61205	2.8
71.95222	1.5
81.03411	2.9
84.96012	5.3
85.02898	3.7
85.07641	1.7
85.45838	1.7
89.50726	1.6
97.02872	3.6
98.97575	55.7
104.72650	1.5
110.97563	12.0
115.97799	2.9
116.98611	42.2
117.05447	3.3
120.08074	6.3
121.08447	2.5
127.03889	2.4
128.98589	23.0
131.00154	3.6
133.98805	1.6
134.99641	21.4
136.07605	1.6
137.05972	3.2
143.00108	2.9
144.98061	1.6
145.04961	1.7
146.99637	23.5
149.01212	4.9
152.98553	2.4
153.00699	2.2
153.01811	5.3
158.99638	5.0
161.01224	6.5
162.99072	2.1
164.07083	2.2
165.00708	3.9
166.08621	2.8
167.07164	1.9
167.08862	2.3
170.99622	6.7
177.00703	8.9
179.02301	2.5
189.00752	8.2
201.00793	4.4
208.00429	1.8
213.04352	3.5
217.79109	1.5
219.01730	38.3
223.02748	4.0
226.01479	9.2
235.02818	14.7
237.02803	100.0
241.03764	14.5
244.02605	3.2
253.03792	14.7
255.01582	1.7
255.03812	8.8
256.02484	2.2
259.04962	4.0
260.04437	3.4
263.04385	6.1
265.03711	2.9
271.04858	4.6
278.06107	1.7
281.05508	2.3
295.04831	1.6
303.45892	1.5
319.05121	2.8
321.77292	1.6
337.05881	6.1
353.05344	1.7
355.06757	3.0
367.06927	15.7
371.06281	2.1
379.06943	3.4
385.08112	8.6
397.07986	6.4
408.32092	1.6
415.09076	56.2
416.09573	2.5
433.10138	33.8
456.11655	2.8
475.11118	41.6
475.17828	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
54.95457	0.3
55.01865	0.4
57.03436	1.7
59.99731	0.3
66.92039	0.3
67.05485	0.7
69.03416	3.9
69.07054	0.5
70.90343	1.0
71.04981	36.5
72.04480	0.3
73.02906	0.7
79.05460	0.4
81.03400	2.9
83.04942	0.4
83.22443	0.3
85.02887	3.8
85.06529	5.4
87.04436	1.4
95.04947	1.3
97.02883	3.7
99.04433	1.2
101.06008	0.3
103.07560	0.5
104.07092	0.7
105.05476	0.6
106.06532	0.5
108.04426	0.3
108.08102	0.7
108.57516	0.3
109.02843	2.9
113.05981	6.4
115.03921	0.4
119.04929	0.3
123.06528	1.0
124.07620	0.3
125.02337	0.6
127.03895	4.3
127.07534	20.6
131.04970	1.5
131.07021	14.6
133.04958	0.8
136.07549	0.4
138.09132	0.4
141.05473	0.8
143.63225	0.3
145.04915	1.4
145.08575	100.0
146.08893	0.9
147.04367	1.1
148.07565	0.7
153.01814	1.0
155.07031	0.9
161.05995	0.4
162.09035	0.4
163.03847	0.8
166.08669	0.5
173.08073	2.5
177.05473	0.3
180.06490	0.5
184.09674	0.4
185.08078	0.6
190.08595	1.1
191.09125	17.2
199.06003	0.4
202.10757	0.4
209.04419	0.6
213.07626	0.7
249.09660	0.6
257.10220	0.8
267.10736	0.7
275.11258	0.5
277.12857	0.6
291.10864	1.6
299.11371	0.6
312.17957	0.5
317.12274	2.9
328.14041	0.4
335.13303	9.0
361.14801	0.4
379.15521	0.6
403.15936	0.9
421.17038	4.6
439.17883	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.05494	0.6
57.03430	50.8
59.04985	1.3
61.02940	0.4
66.39152	0.5
69.03424	2.6
69.58385	4.3
70.10612	0.5
70.14565	0.5
71.04984	1.2
76.68655	0.5
81.03400	3.8
83.04970	3.4
85.02891	4.0
85.06541	0.7
89.06002	1.8
97.02880	3.5
99.04446	10.8
101.06013	6.1
109.02868	2.1
113.05998	1.2
115.03883	0.7
117.05481	15.0
127.03914	6.0
129.05475	4.3
131.07027	100.0
141.05457	1.6
145.04965	1.6
147.06503	0.9
153.01823	1.0
159.06500	6.1
164.18002	0.5
177.07559	18.3
219.08588	0.5
227.09210	0.8
263.11176	0.6
285.09659	1.7
303.10690	5.4
305.12329	1.4
310.53940	0.5
321.11734	9.6
375.98334	0.5
403.15872	1.4
421.17020	5.6
439.18179	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24696	2.7
53.03925	3.9
55.05500	30.2
57.07064	15.6
67.05495	36.9
69.03415	3.6
69.06708	4.1
69.07056	38.5
71.08611	6.7
71.62251	4.9
73.17826	2.6
79.05463	19.7
81.07043	74.7
83.08611	26.2
85.10168	3.7
91.05474	13.7
93.07032	49.5
95.04953	7.1
95.08594	100.0
97.06547	3.5
97.10162	21.1
101.75145	2.7
105.07002	37.7
107.08578	75.9
109.06494	6.8
109.10139	71.2
111.11700	8.2
117.06992	6.5
119.08559	58.4
121.09295	4.9
121.10121	57.6
121.43095	2.6
122.10494	2.7
123.08037	5.1
123.11697	43.7
126.63476	2.6
128.72260	2.5
131.08565	7.6
133.10110	42.1
135.08026	8.5
135.11678	37.6
137.09587	3.5
137.13193	14.7
144.09288	3.9
145.10095	21.4
147.11670	26.9
149.09579	8.0
149.13237	39.0
151.14806	13.0
157.10168	7.7
159.11676	22.3
161.09639	3.2
161.13240	37.0
163.11156	6.2
163.14807	31.4
171.11636	7.9
172.57216	3.1
173.13237	15.0
175.11269	3.0
175.14807	51.5
177.12778	35.8
177.16339	26.4
179.14316	6.9
185.13260	5.5
187.14809	18.9
189.16377	33.0
191.14273	10.7
191.17889	8.8
193.15833	29.4
195.13643	3.7
197.13081	3.1
199.14795	6.3
201.16286	13.5
203.14241	5.9
203.17935	12.0
205.15881	15.4
205.19499	6.6
207.17494	6.2
215.17950	5.2
217.15865	14.2
217.19490	10.1
219.17403	8.0
219.21120	10.7
221.15431	3.7
227.17976	4.4
229.19475	4.5
229.61107	3.2
231.17564	6.8
231.20978	13.4
233.22562	7.8
235.16917	4.8
245.22615	4.1
253.18069	3.6
257.62781	4.0
311.23694	3.2
313.25134	5.4
331.26312	5.6
353.28137	3.6
389.06219	3.0
409.33853	4.0
409.38617	6.0
415.18948	6.9
416.19571	3.6
419.36572	10.7
427.40015	14.0
437.37891	40.8
455.39041	32.3
473.23843	52.9
473.30719	5.4
473.40051	55.0
474.24197	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	473.3618
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
54.25032	1.8
55.05501	9.4
57.07064	3.0
62.80008	1.7
67.05497	19.1
69.07058	17.5
69.71612	8.5
69.72030	4.1
71.04966	2.2
79.05475	13.9
81.07050	32.1
83.04978	2.6
83.08587	8.2
85.06538	3.3
90.10529	1.5
91.05452	12.0
93.07034	29.9
95.04967	2.7
95.08595	62.8
97.06522	2.5
97.10161	5.5
99.08102	4.1
105.07015	30.2
107.08578	50.2
109.10143	31.9
111.08064	2.4
117.07033	4.2
119.08562	51.1
121.10124	43.1
123.08089	3.8
123.11687	14.9
125.09635	4.0
127.11209	3.2
131.08565	12.1
133.09096	2.5
133.10112	53.7
135.08051	3.7
135.11665	28.9
137.09593	2.6
137.13255	3.0
143.08537	3.4
145.10089	22.8
147.11656	41.5
147.12746	2.2
149.09549	2.6
149.13240	20.1
151.11166	2.3
153.09071	5.1
157.10045	7.8
159.11661	19.0
161.09630	3.0
161.13225	24.5
163.11159	7.8
163.14818	20.5
165.12766	2.8
167.10716	2.3
171.11702	5.9
173.13252	10.8
174.14046	1.8
175.11203	1.9
175.14806	20.7
177.12790	3.0
177.16370	23.1
179.14322	4.5
183.11620	2.0
185.13197	2.5
187.14789	24.2
189.16357	76.9
190.98306	1.6
191.14218	2.3
191.17929	20.3
193.12222	2.3
197.13283	2.0
199.14836	4.6
201.16341	21.7
203.17924	92.6
205.15851	45.0
205.19609	4.4
207.14088	1.9
207.17406	27.0
213.16452	5.3
215.17897	11.1
217.15866	2.7
217.19540	7.0
219.17453	5.0
221.18997	5.3
227.17816	2.1
229.16026	2.7
229.19603	4.8
231.17558	4.4
231.21101	3.7
235.16963	7.1
239.17970	2.6
243.21243	1.7
247.16859	3.1
249.18469	19.5
313.25345	2.4
391.33701	10.2
409.34601	90.9
410.34726	4.0
427.35867	12.7
437.34192	25.5
455.35306	19.4
473.36276	100.0
474.36633	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	473.362
Annotation	16-Oxolycoclavanol
Peak:m/z	Relative Intensity
51.78660	1.3
55.05510	8.2
57.07053	2.3
59.04985	3.0
65.03939	1.7
67.05486	8.5
67.67696	1.4
69.07059	13.7
69.63783	10.0
71.04978	14.2
79.05486	6.7
81.07056	19.6
83.08601	5.2
85.06545	2.3
91.05458	9.1
93.07022	17.3
95.04964	1.8
95.08596	27.0
97.10149	4.6
99.04448	1.9
99.08051	3.2
101.05993	2.0
105.07005	17.9
107.07851	3.1
107.08583	63.0
109.06481	3.4
109.10142	25.2
111.08059	4.1
111.11668	1.6
117.06991	2.8
119.08554	28.0
121.10122	23.0
123.08070	4.0
123.11701	17.0
125.09639	3.9
127.07515	1.7
127.11182	22.8
129.07002	1.9
130.07808	1.9
131.08537	10.2
133.10107	22.7
135.08018	2.9
135.11682	11.7
137.09584	3.8
137.13275	3.1
142.07782	2.6
143.08525	7.8
145.10101	19.1
147.10507	1.8
147.11658	30.9
149.09624	3.7
149.13234	10.3
151.11194	2.5
155.08519	1.9
156.09270	2.8
157.10106	11.8
159.11681	25.7
161.13243	15.9
163.11151	3.1
163.14812	5.9
165.12733	17.1
169.10065	4.3
170.10803	2.6
171.11655	12.7
173.13263	21.4
175.11140	2.7
175.14767	11.1
177.12724	2.4
177.16383	2.4
179.14328	2.4
181.12256	1.9
183.11676	7.0
183.13754	1.4
184.12428	2.9
185.13219	16.0
186.13899	1.9
187.14798	13.9
189.12709	3.8
189.16318	11.2
191.14282	3.1
195.11685	2.8
197.13243	7.4
199.14786	21.2
201.12596	2.1
201.16371	26.9
203.14316	2.9
205.15852	4.1
207.17421	2.1
209.13367	3.0
209.15350	6.7
211.14816	7.8
213.16394	7.0
215.14346	2.4
215.17921	6.4
217.15884	3.6
219.13739	2.2
223.14775	6.3
223.16789	2.2
225.16364	3.7
227.17917	5.7
229.19551	1.6
231.17433	2.3
233.18985	7.2
235.14708	2.2
237.16362	6.1
239.18077	3.1
241.19484	2.1
247.20787	2.1
251.20070	1.9
253.19521	4.0
255.21062	2.3
257.18942	1.8
259.20731	2.6
263.17929	1.9
265.19431	3.5
267.21005	2.3
273.22159	2.1
279.20929	3.4
285.22137	3.6
287.19931	1.9
291.21112	1.9
293.22568	3.8
295.24274	2.4
297.22171	3.1
309.22110	2.6
311.23477	3.7
313.25162	2.1
317.54095	1.6
321.25772	2.0
325.25351	3.3
333.25522	2.5
339.26389	1.9
351.26785	5.3
357.27960	3.4
359.27216	2.6
363.26678	2.6
369.27679	6.8
377.28201	5.6
395.29218	9.5
395.33817	1.8
401.31952	6.0
409.34372	2.3
413.30099	9.4
419.32980	19.7
437.34113	100.0
438.34473	2.5
455.35080	41.2
473.35544	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	473.362
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
55.05500	10.5
57.07079	3.4
67.05493	8.8
69.07040	16.1
69.70513	9.6
69.70934	4.6
71.04977	8.2
79.05486	9.0
81.02108	2.3
81.07047	26.3
83.04960	2.2
83.08603	5.4
91.05481	7.4
93.07038	21.0
95.04956	2.3
95.08036	4.5
95.08592	49.9
105.07029	27.3
107.08583	44.4
109.06490	2.5
109.10134	27.1
111.08036	5.0
117.06986	3.5
119.08569	39.1
121.06522	2.4
121.10126	39.3
122.04381	2.2
123.08090	2.6
123.11668	13.5
127.11189	7.9
131.08539	10.6
133.10126	38.3
135.08087	3.6
135.11679	26.0
137.13243	3.5
143.08539	2.8
145.10080	21.4
147.11673	33.0
149.09576	4.2
149.13245	16.1
151.11118	2.3
151.14742	2.5
153.09079	2.3
156.09512	2.7
157.10117	5.9
159.11659	13.4
160.12469	2.2
161.09641	2.3
161.13229	21.9
163.11137	7.4
163.14803	20.1
165.12785	2.7
171.11646	4.2
173.13287	12.0
175.11118	2.6
175.14818	18.9
177.16368	23.6
179.14267	3.2
183.11604	2.5
185.13248	6.2
187.14816	24.1
189.16354	73.6
191.14462	2.7
191.17986	11.0
193.15912	2.8
199.14763	3.7
201.16348	19.2
203.17934	88.6
205.15849	42.2
205.19524	7.3
207.17416	30.5
213.16408	5.8
215.14351	3.0
215.17955	5.2
217.15916	3.0
217.19563	5.1
218.75961	2.5
219.17343	6.6
221.18922	3.0
223.16867	5.6
225.18553	2.6
231.17435	12.5
235.16930	3.8
249.18379	15.5
317.31702	2.5
391.33496	7.6
409.34595	100.0
410.34894	6.4
427.35889	10.7
434.56497	2.5
437.34158	27.8
455.35394	29.1
473.36523	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	473.3621
Annotation	Crataegolic acid
Peak:m/z	Relative Intensity
55.05513	1.9
55.05731	0.4
56.41240	0.3
57.07059	0.6
59.04977	0.5
67.05214	0.3
67.05501	3.4
69.03427	0.5
69.07059	3.6
69.50244	2.7
71.04987	5.5
79.05485	3.3
81.07045	7.8
83.04947	0.4
83.08600	1.8
91.05472	3.4
93.07031	6.0
95.04961	0.5
95.08592	11.2
97.06506	1.9
97.10132	0.6
99.08073	1.1
105.07018	6.7
107.08580	14.4
109.06503	1.0
109.10141	9.2
111.08097	1.9
112.73363	0.3
117.07013	1.0
119.08565	11.4
121.10124	7.6
123.08074	1.4
123.11676	3.8
125.09628	2.9
126.98418	0.3
127.11189	6.2
129.06958	0.6
131.08539	2.9
133.10117	8.6
135.08008	0.7
135.11684	5.1
137.09607	1.4
137.13249	1.6
139.11168	0.7
141.12761	0.4
142.07756	0.5
143.08553	1.4
144.09291	0.5
145.10103	5.6
147.08029	0.4
147.11670	9.7
147.12778	0.6
149.09610	1.1
149.13255	2.9
150.84482	0.4
151.11176	0.6
151.14830	0.6
153.12723	1.2
155.08551	0.5
156.09354	0.5
157.10139	3.3
158.10870	0.5
159.11676	6.5
161.09634	0.7
161.13216	5.3
163.11143	2.4
163.14757	1.9
165.12761	3.5
169.10081	1.1
170.10921	0.6
171.11682	3.5
172.12488	0.4
173.09647	0.4
173.13243	5.5
175.11235	0.5
175.14810	7.8
177.12685	0.8
177.16321	2.1
179.14246	0.5
181.10129	0.5
183.11655	1.4
183.13805	1.5
184.12474	0.9
185.13268	3.2
187.14780	4.8
189.09006	0.5
189.12749	0.7
189.16350	3.5
191.14290	1.2
191.17929	0.8
195.11702	0.7
197.13257	3.3
199.14801	4.8
201.12709	0.6
201.16333	5.4
203.14302	1.4
203.17946	4.1
205.15863	2.4
207.11679	0.5
207.17403	0.8
209.13254	1.1
211.14815	1.6
213.12653	0.5
213.16281	2.6
215.14409	0.7
215.17996	1.7
216.15085	0.5
217.15919	1.2
217.19437	4.5
219.17500	1.1
223.14865	0.9
225.16391	1.6
227.17908	2.4
229.19550	0.6
231.17422	0.9
233.19000	0.5
235.14806	0.5
237.16351	0.9
239.17989	1.0
241.15863	0.4
241.19490	1.1
243.17453	0.5
245.18912	0.9
249.16289	0.5
249.18567	0.6
251.18044	0.9
253.19554	0.8
255.17464	0.4
255.21071	2.0
257.18881	0.6
259.20645	0.7
263.17941	0.7
265.19513	1.2
267.21130	0.7
273.22079	5.6
277.19333	0.5
279.20999	0.9
283.20602	0.6
291.23343	0.7
293.22620	0.5
297.22055	0.6
301.21506	0.6
307.22818	0.6
311.23645	0.6
321.26086	0.5
333.25519	0.8
349.25089	0.4
351.26935	1.0
367.26035	0.4
367.30002	0.5
369.27686	0.5
379.29947	1.0
383.29355	0.4
395.33176	0.7
397.30997	0.9
399.28995	0.5
401.32248	0.5
409.34656	1.5
413.30338	0.6
419.33026	4.3
427.35858	1.9
437.34180	9.5
455.35172	12.8
456.36002	0.5
473.36230	100.0
474.36450	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	473.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01856	2.9
55.05254	2.2
55.05505	27.0
57.03425	4.8
57.07070	13.3
61.02910	1.5
65.03918	1.8
67.05500	31.6
69.03414	9.0
69.07061	52.7
71.04988	4.8
71.08617	4.0
73.02903	1.8
74.75947	1.2
75.58133	1.2
78.24551	1.1
79.05482	16.5
81.03405	8.6
81.07047	100.0
82.07365	1.3
83.04968	3.7
83.08607	31.6
84.04511	1.2
85.02897	27.4
85.06544	8.5
85.10191	1.8
87.04398	1.5
91.05464	10.1
93.07037	31.1
95.04963	6.7
95.08597	93.8
97.02878	5.5
97.06528	4.6
97.10155	18.7
99.04428	2.6
99.08092	7.7
103.03899	1.2
103.05386	1.1
105.07026	12.8
107.04940	3.5
107.07852	2.0
107.08580	36.8
107.09280	2.4
108.08928	1.5
109.02859	5.9
109.06517	4.7
109.10143	60.9
110.10513	1.5
111.04428	3.4
111.08059	8.9
111.11703	16.8
113.05975	1.4
113.09630	2.8
115.03957	1.2
117.07039	3.2
119.04923	1.4
119.08559	13.0
121.06506	5.4
121.10120	19.1
123.08054	3.7
123.11699	36.4
125.09616	5.6
125.13262	12.5
127.03874	7.0
127.11156	1.8
128.06328	1.7
129.05470	1.5
129.06970	2.3
131.08574	6.3
133.10110	8.5
135.08051	4.6
135.11688	12.0
137.05981	2.8
137.09607	3.8
137.13242	25.2
139.07565	1.8
139.11142	3.5
139.14771	2.2
141.06940	1.9
143.08534	3.5
143.10718	1.3
145.04961	5.0
145.06413	1.3
145.10097	8.0
147.04410	1.9
147.08047	2.8
147.11664	7.3
149.05875	1.4
149.09605	3.0
149.13235	27.4
151.03908	2.1
151.07553	2.3
151.11162	2.1
151.14786	8.3
153.09146	2.2
153.12737	2.2
155.14252	2.0
157.10146	3.4
159.08052	2.8
159.11693	6.1
161.06010	1.9
161.09631	3.1
161.13252	5.1
163.05997	2.3
163.07433	1.2
163.11238	3.7
163.14804	10.3
165.09085	13.2
165.12740	2.4
165.16347	5.6
167.07022	4.1
167.10677	1.5
167.14296	10.8
170.10629	1.2
171.11705	3.0
173.09544	1.4
173.13264	4.8
175.11238	2.0
175.14857	4.0
177.09099	2.5
177.12766	2.0
177.16385	3.7
179.14378	1.7
179.17928	3.2
181.04950	1.2
183.11728	2.9
185.13272	2.0
187.07629	1.5
187.11089	1.9
187.14804	2.8
189.09106	1.7
189.16325	2.9
191.17902	2.0
193.19507	2.1
197.05965	1.7
197.13300	2.0
199.14877	1.4
201.16342	3.3
203.18004	2.0
205.12270	2.5
205.15703	1.4
205.19431	2.3
211.14932	1.5
217.15944	1.5
219.13794	3.8
219.21109	1.9
236.96198	1.4
237.22148	1.4
249.25746	2.2
255.07523	1.5
275.27277	8.3
283.09421	1.3
287.27460	1.3
293.20984	2.4
293.28354	16.3
300.06250	1.8
301.10764	1.3
301.67239	1.2
305.28235	1.1
311.05557	1.4
311.09119	19.7
312.09439	1.4
315.08774	5.2
317.28363	1.2
321.85587	1.4
329.09955	1.3
375.11929	3.9
376.12399	1.6
381.20596	3.6
383.29550	2.1
392.54938	1.2
399.21280	1.4
401.30627	2.3
419.31601	1.9
437.32755	1.2
454.36008	1.3
455.13525	1.9
455.25247	1.9
455.31564	2.2
473.25266	9.4
473.31812	2.4
473.36880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01857	2.6
55.05504	20.8
57.03421	3.6
57.07069	14.9
61.02918	2.5
65.15855	1.0
66.27284	1.1
67.05498	30.6
69.03422	10.4
69.07058	56.0
69.37186	9.6
69.37603	2.3
71.04992	1.6
71.08628	7.4
73.02919	2.3
79.05488	17.1
79.19311	1.1
81.03410	6.0
81.07047	100.0
82.07369	1.5
83.04953	2.6
83.08602	33.5
85.02895	24.8
85.06538	8.2
85.10182	1.8
91.05469	8.9
93.07028	26.5
95.04937	3.9
95.08595	92.8
97.02905	5.9
97.06532	3.9
97.10158	19.6
99.04431	2.8
99.08070	6.0
103.03939	1.2
105.07018	14.7
107.04926	2.6
107.08575	29.8
107.09283	1.9
109.02861	2.7
109.06516	5.3
109.10147	62.5
111.04438	2.4
111.08064	7.3
111.11700	18.0
115.03899	2.0
117.07037	2.6
118.10996	1.1
119.04942	1.9
119.08568	18.5
121.06489	3.7
121.10132	20.5
123.04371	1.6
123.08055	3.3
123.11689	38.7
125.09620	3.1
125.13259	13.3
127.03900	4.8
127.11198	1.4
129.06973	2.4
131.08521	6.9
133.04953	1.8
133.06456	1.7
133.10124	12.0
135.08008	3.2
135.11685	13.6
137.09601	3.5
137.13242	31.1
139.07550	1.7
139.11171	2.8
139.14832	2.8
141.06970	1.4
143.08531	2.0
145.04936	5.1
145.10095	10.1
146.69855	1.6
147.04398	5.1
147.11679	7.4
149.05975	1.5
149.09595	3.1
149.13235	22.7
151.07513	2.1
151.11172	3.1
151.14816	10.5
153.12721	2.9
155.08577	1.3
155.14290	2.8
156.09319	1.6
157.10104	4.2
159.11684	6.0
161.09555	2.1
161.13206	7.9
163.06059	2.5
163.07399	1.5
163.11140	2.7
163.14819	11.5
165.09071	17.9
165.16412	5.3
167.07013	11.1
167.14284	8.5
169.15816	2.7
171.11687	3.6
173.13193	5.9
175.14833	5.3
177.12740	1.6
177.16431	5.6
179.14325	2.6
179.17934	4.4
181.04895	1.7
185.13260	4.8
187.14751	6.9
189.09238	1.2
189.12718	3.8
189.16383	4.5
191.10634	1.5
191.14363	2.0
191.17961	2.9
193.19485	2.8
194.82721	1.2
197.19026	1.3
199.14864	2.8
201.16422	3.0
203.14297	2.0
203.17854	2.5
205.12357	1.2
205.15842	4.7
205.19482	2.8
206.16200	1.3
207.13741	2.2
213.16396	1.3
215.14326	1.9
217.15924	1.8
217.19479	1.1
219.13779	1.8
219.17474	1.2
219.21124	2.4
227.17952	1.7
231.17418	1.8
237.22115	1.5
249.25777	1.9
275.24344	1.6
275.27286	7.9
281.28177	1.7
293.21219	1.9
293.28384	21.4
311.09073	2.9
383.29639	2.2
391.29816	2.3
401.30322	2.2
409.30557	2.5
419.31216	1.5
427.32230	1.8
437.30472	3.0
441.15262	1.7
455.32004	3.6
473.24615	3.1
473.36224	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01852	2.3
55.05507	13.6
57.07055	3.0
65.03920	2.5
66.85265	1.7
67.05492	19.9
69.03413	4.5
69.07051	13.7
69.66905	4.2
69.67313	10.8
71.04982	2.1
79.05474	20.9
81.03409	2.6
81.07046	34.0
83.08616	9.3
84.04478	1.8
85.02897	2.1
85.06529	9.2
91.05467	20.5
93.07033	33.4
95.04955	4.8
95.08595	42.6
97.06512	4.4
97.10155	1.8
98.20804	3.2
99.08077	17.6
103.05466	2.6
105.07016	58.3
107.04803	1.8
107.08584	67.9
109.06531	9.3
109.10148	31.6
111.08067	9.0
113.09606	2.6
116.27203	1.5
117.06997	7.7
119.08565	100.0
120.08881	3.2
121.06493	9.1
121.10131	37.4
123.08048	6.8
123.11689	13.6
125.09653	1.9
127.03976	2.2
127.07549	4.9
128.06221	3.1
129.06987	4.9
130.07726	2.2
131.08549	42.7
133.10115	48.7
135.08038	10.3
135.11662	22.9
137.05980	2.5
137.09587	6.9
137.13243	4.1
139.07431	1.9
142.07718	3.6
143.08542	17.9
144.09285	4.0
145.10103	54.1
145.11253	2.7
146.10414	2.5
147.07979	5.4
147.11664	50.5
147.12776	3.5
149.09610	6.6
149.13242	11.3
151.07533	3.3
151.11179	4.2
155.08574	2.5
156.09326	3.4
157.10114	23.4
158.02013	1.9
158.10831	3.4
159.08035	2.8
159.11681	28.8
161.09625	8.7
161.13235	38.8
163.07498	3.2
163.11182	4.7
163.14806	14.2
165.09070	10.5
165.12738	3.3
169.10088	9.2
171.11682	17.1
172.12517	1.7
173.09682	3.0
173.13229	33.3
175.11209	3.9
175.14804	27.2
177.09099	4.1
177.12737	4.3
177.16386	11.6
179.10567	2.2
179.14273	6.0
181.17285	1.9
183.11667	7.9
185.13225	32.5
187.11180	4.0
187.14790	61.4
189.12625	10.4
189.16371	9.3
191.14278	19.1
193.15877	3.9
195.11728	2.4
195.13742	2.6
197.13254	5.4
199.14790	30.9
201.12805	1.6
201.16347	48.4
202.16655	3.3
203.10735	1.8
203.14301	24.3
203.18027	3.6
205.15829	12.7
207.13754	5.2
209.13272	3.6
209.15215	2.5
211.14912	8.4
213.16373	18.1
215.14252	7.1
215.17905	4.4
217.15814	4.8
219.13957	2.9
219.17429	9.4
221.15308	2.3
223.16882	5.3
225.16301	3.7
227.17914	5.4
229.15804	4.6
229.19495	2.5
231.13770	2.5
231.17377	3.2
233.15367	8.0
235.13199	3.1
235.16997	2.1
237.16293	2.6
241.19502	2.9
245.15318	12.5
247.16891	6.6
249.14828	19.4
251.18002	2.9
253.19473	4.7
257.15463	2.3
259.16882	11.7
265.19376	2.3
267.21008	3.8
273.18454	3.7
337.25162	4.7
343.26392	1.9
353.24704	2.3
363.26587	2.9
373.28839	6.5
391.29868	35.8
393.27277	2.3
393.31696	3.6
409.30975	51.2
410.31390	3.9
419.29373	16.0
427.32135	12.7
437.30521	22.7
455.25381	3.2
455.31552	29.1
456.32043	2.2
473.19186	3.5
473.26093	3.1
473.32397	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	473.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.2
57.02237	2.1
57.07044	3.1
62.89684	1.9
67.05492	24.3
69.03407	5.9
69.07053	26.6
69.28619	20.5
69.29024	4.6
71.05003	2.1
78.79982	2.0
79.05476	18.5
81.03410	2.6
81.07042	44.0
81.74388	1.8
83.04974	2.2
83.08611	13.1
85.02898	2.9
85.06537	10.2
85.70480	2.0
91.05461	21.7
93.03461	2.0
93.07027	38.3
95.04955	6.0
95.08591	64.3
97.06516	9.9
97.10162	4.7
99.08083	6.0
103.05481	2.5
105.07014	43.7
107.08576	56.8
109.06489	9.4
109.10139	37.1
111.08080	10.1
111.11696	2.6
117.06989	9.4
119.08560	100.0
120.08908	3.3
120.49571	2.2
121.06457	4.9
121.10117	51.4
123.08034	5.1
123.11710	20.7
125.09631	3.7
127.03922	3.2
128.06183	3.2
129.07001	7.1
131.08566	36.5
133.10110	41.4
135.08040	15.8
135.11662	31.7
137.09648	10.5
137.13237	8.7
139.07484	2.6
139.11140	2.6
139.92888	1.9
142.07753	5.1
143.08542	17.9
145.09032	3.3
145.10103	52.9
147.08038	5.4
147.11659	31.1
149.02376	5.1
149.09608	5.7
149.13220	18.5
151.07561	4.8
151.11124	4.8
151.14732	2.4
153.09039	4.4
153.12685	2.9
155.08553	2.9
157.10129	20.0
158.10873	4.5
159.11668	38.7
161.09625	8.0
161.13235	36.6
163.07402	2.2
163.11200	6.2
163.14799	16.9
165.09100	8.5
169.10094	5.1
170.10909	5.1
171.11681	13.1
173.13231	46.1
175.11092	3.2
175.14810	37.5
177.12759	8.0
177.16353	13.0
179.14256	5.6
181.10072	4.5
182.10928	2.7
183.11665	9.1
185.13235	55.1
186.13579	3.1
187.14787	54.8
189.12624	9.5
189.16351	16.0
191.14273	16.8
193.15781	2.4
195.11690	3.8
197.13219	6.7
199.14767	26.7
201.16347	41.5
203.10612	3.2
203.14270	25.9
203.17990	5.4
205.12134	3.4
205.15840	23.6
207.13741	4.7
209.15305	4.3
211.14844	7.1
213.16338	20.8
215.14304	5.6
215.17944	3.3
217.12164	4.4
217.15842	11.6
219.13820	4.6
219.17360	10.2
223.14925	3.1
223.16852	3.4
225.16411	5.3
227.17899	11.5
229.15881	2.4
231.13817	6.0
231.17427	4.7
233.15294	4.6
239.17955	6.8
241.19456	3.9
245.15318	11.0
245.19035	4.1
247.16867	14.1
249.14732	27.2
253.19489	5.5
259.16916	12.3
261.14795	5.2
263.16379	4.3
267.21039	2.3
273.18414	8.8
281.22543	2.2
294.93665	2.3
299.20361	4.7
307.24213	4.3
311.29333	10.2
335.23770	3.3
371.25735	2.7
373.28714	7.1
375.30499	3.6
391.29846	31.3
392.30258	2.5
393.31177	4.1
399.29346	3.8
409.30951	38.5
411.32916	2.4
419.29276	21.3
427.31741	11.3
437.30325	36.5
438.31036	2.2
450.08209	2.1
455.31512	37.3
473.32471	24.9
479.58154	2.2
492.18256	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
54.74964	2.1
55.05500	12.8
57.07051	3.7
67.05496	20.9
69.07060	20.6
70.28150	10.7
71.48621	2.1
79.05482	12.0
81.07038	36.2
83.08602	9.6
85.06522	8.8
86.69567	2.1
91.05461	18.6
93.07024	31.7
95.04953	4.9
95.08593	51.1
97.06498	2.6
98.20850	2.8
98.92503	2.2
99.08092	2.3
103.05424	2.4
105.07013	49.7
107.08582	55.9
109.06498	8.4
109.10129	36.8
111.08057	10.2
117.07000	7.5
119.08560	100.0
121.06455	5.2
121.10126	46.9
122.01541	2.2
123.08013	6.9
123.11670	15.1
129.06960	10.5
131.08551	39.2
133.10114	43.7
135.08041	12.3
135.11667	26.1
137.09584	6.1
137.13222	3.9
142.07628	2.6
143.08539	22.0
145.10103	52.9
147.07965	4.1
147.11659	31.4
149.09587	4.4
149.13231	18.0
151.07564	2.5
151.11118	3.0
153.09074	5.9
155.08499	4.2
156.09277	3.0
157.10103	26.2
158.10944	2.3
159.11668	36.0
161.09628	6.8
161.13243	33.0
163.11118	4.2
163.14815	16.4
165.12756	2.5
169.10091	7.0
170.10814	3.2
171.11642	13.4
172.12300	2.6
173.13234	47.8
174.13522	2.9
175.14766	33.4
177.09094	3.3
177.12752	7.7
177.16365	13.5
179.14290	7.2
183.11668	8.5
185.13243	57.1
187.14784	51.8
189.12665	8.6
189.16330	14.8
191.14336	18.9
195.11777	3.5
197.13249	7.7
199.14764	24.7
201.16365	40.5
203.14301	26.6
203.17754	2.5
205.15799	22.3
209.15378	4.2
211.14827	5.5
213.16335	21.0
215.14232	7.3
215.17896	5.5
217.15826	11.4
219.17380	7.9
223.16786	5.3
225.16403	4.5
227.17842	11.1
229.15942	4.6
229.19623	2.6
231.13759	4.4
231.17299	5.3
237.16338	2.8
239.17955	6.6
245.15240	11.7
245.19031	2.8
247.16902	9.1
249.14807	27.6
253.19463	6.5
259.16870	10.6
261.14844	7.1
263.16397	7.9
270.38116	2.8
273.18430	10.0
279.21030	4.9
299.20032	6.5
307.24289	3.5
325.25171	3.1
371.25720	5.1
373.28748	7.7
391.29990	25.9
393.31396	4.0
409.30814	32.3
419.29370	18.5
427.32010	10.9
437.30466	32.7
455.31433	31.3
473.27267	3.0
473.32690	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	473.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03643	1.5
53.03942	2.3
55.05503	12.1
57.03421	1.4
57.07043	2.1
57.87843	1.4
65.03896	1.6
67.05492	22.2
68.33221	1.4
68.38840	1.3
69.03407	4.0
69.07066	15.2
70.87402	3.0
70.87764	3.0
71.04984	3.4
79.05482	22.8
81.03393	6.6
81.07050	35.9
83.04958	3.6
83.08617	10.7
85.06518	4.9
85.07040	1.7
91.05467	23.8
93.06462	2.2
93.07034	36.0
95.04967	9.2
95.08599	52.0
97.06500	3.4
97.10113	3.6
98.80490	1.5
99.08078	20.8
103.05401	2.1
105.07016	49.5
107.04962	1.8
107.07850	3.3
107.08581	73.3
109.06492	7.9
109.10144	29.7
111.08046	6.3
117.07018	10.6
119.08566	100.0
121.06523	7.1
121.09306	2.8
121.10131	39.1
122.10470	1.7
123.08043	6.9
123.11691	16.0
125.09589	3.3
127.02340	1.8
127.07509	4.5
128.06194	2.8
129.07007	7.8
130.07777	2.0
131.08556	42.8
133.06525	1.8
133.10114	45.6
135.08044	13.2
135.11670	25.2
137.05980	2.9
137.09592	5.0
137.13235	4.3
137.95335	1.5
141.06975	1.8
142.07753	3.4
143.08543	18.7
144.09328	3.3
145.10104	49.9
146.10588	2.3
147.08002	5.4
147.11681	47.9
149.09619	8.2
149.13251	14.2
151.11182	3.0
153.09131	1.6
155.08537	4.1
156.09294	4.0
157.10107	22.4
158.10799	3.6
159.08060	2.7
159.11671	37.9
161.09642	10.1
161.13240	40.5
162.13589	1.6
163.07556	3.5
163.11124	6.4
163.14848	10.0
165.09064	2.0
165.12672	1.9
169.10117	5.8
170.10849	4.9
171.08073	2.4
171.11658	17.6
172.12346	2.3
173.09607	1.7
173.13246	32.6
174.13416	1.4
175.11224	3.9
175.14810	29.6
177.09180	1.9
177.12700	6.2
177.16351	8.8
179.14262	6.3
183.11670	9.9
184.12378	1.9
185.13223	34.2
187.11162	4.4
187.13106	3.3
187.14796	56.7
188.15160	2.6
189.09026	1.8
189.12766	6.7
189.16370	10.8
191.10612	2.6
191.14297	20.7
193.15836	4.0
195.11661	2.6
197.13255	7.8
199.14790	30.6
200.15121	2.6
201.12697	1.9
201.16360	39.5
202.16856	1.5
203.14313	24.5
203.17989	3.3
205.12108	1.7
205.15840	17.3
207.13765	4.3
209.13239	2.4
209.15285	2.6
211.14784	10.5
213.12563	1.6
213.16353	18.1
214.16565	1.8
215.14366	9.4
215.17874	6.9
217.15810	5.9
217.19391	1.7
219.13744	3.6
219.17436	6.0
221.15344	2.1
223.14796	4.5
223.16855	2.7
225.16324	3.3
227.17928	6.1
229.15892	3.2
229.19411	2.1
231.13747	3.5
231.17400	3.9
233.15305	5.6
235.16913	2.2
237.16393	3.1
239.17813	3.5
241.15826	1.9
241.19548	2.7
245.15335	9.7
245.18945	2.6
247.17009	4.4
249.14769	18.6
251.17978	3.4
253.19456	5.0
257.15240	1.7
259.16898	11.9
262.99426	1.9
267.21198	1.8
273.18399	2.6
293.22543	2.3
299.19971	1.6
301.43839	1.5
307.24194	3.1
309.25519	1.8
325.25391	1.9
337.25168	3.3
337.29062	2.1
373.28824	8.8
375.31030	2.3
391.29883	32.2
392.30450	3.0
393.31656	2.5
399.28705	1.8
401.26938	1.6
409.30942	45.3
410.31082	2.6
419.29306	14.2
427.31781	9.6
437.30307	18.7
455.31232	24.8
456.31879	2.4
473.25430	3.0
473.32758	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41914	0.6
51.02377	1.2
53.03710	0.8
53.03939	6.0
54.14839	0.7
55.01866	4.3
55.05259	1.2
55.05503	16.6
57.03430	4.3
62.67876	0.7
64.58867	0.7
65.03921	3.5
67.05494	46.2
69.03407	2.5
69.07056	11.0
71.01342	0.9
71.05001	4.1
71.07202	1.1
71.07549	1.2
73.06557	1.0
77.03891	1.2
77.70156	0.6
79.05481	59.9
81.03408	84.1
81.07043	40.0
83.04971	12.3
83.08128	1.2
83.08607	18.4
85.02891	0.9
85.06506	2.1
89.11015	0.7
91.05467	57.6
93.07030	46.4
95.04954	34.3
95.08591	24.0
97.02839	2.5
97.06509	4.8
97.10135	4.9
97.45100	0.7
99.04432	0.9
103.05455	2.0
105.04482	1.4
105.07015	39.8
107.04933	11.1
107.08580	16.6
109.06486	7.1
109.10143	8.7
111.04427	1.0
111.08053	7.1
115.05418	2.8
115.27139	0.7
117.06992	11.2
119.04964	0.9
119.08562	32.0
121.06517	4.8
121.09309	1.0
121.10126	10.1
123.08051	6.0
123.11662	2.7
125.09602	2.8
127.07558	1.8
127.11173	1.2
127.54769	0.8
128.06192	3.4
129.06987	20.2
129.07901	1.5
131.08546	12.5
133.06519	4.2
133.10120	11.8
135.08034	3.1
135.11649	3.6
137.09583	2.7
141.06963	2.1
141.09096	1.0
142.07764	3.3
143.08539	7.4
143.10530	0.7
145.06448	2.3
145.10088	11.1
147.08023	5.1
147.10480	1.7
147.11659	32.7
149.09615	4.8
149.13217	1.6
151.11082	0.9
153.09134	0.7
155.08563	2.0
157.06387	1.2
157.10095	9.2
159.07982	0.8
159.11642	4.3
161.09610	4.2
161.13219	10.6
163.11148	2.0
163.14825	1.0
165.12695	1.8
167.08578	0.9
169.10081	1.8
171.08012	1.4
171.11661	19.8
171.13115	1.0
173.09579	0.8
173.11855	0.9
173.13246	2.7
175.11151	8.8
175.14803	2.8
177.16412	1.0
181.10164	1.0
183.11754	1.4
185.09653	1.1
185.13173	2.7
187.14851	2.1
189.11195	1.3
189.12711	10.8
189.16360	1.7
193.12212	25.1
195.11734	1.0
197.13197	0.8
199.11182	0.9
199.14847	1.0
201.16376	1.5
203.14326	1.0
203.17769	0.9
205.10065	0.9
205.15984	1.0
207.13780	20.9
219.13852	1.1
225.14870	2.4
229.15898	1.7
231.13792	1.4
249.14813	5.6
249.63536	0.7
261.59158	0.9
267.16010	1.2
281.17410	1.4
311.09052	2.8
335.23431	0.9
363.23248	1.4
381.24234	3.6
399.25266	2.9
403.24893	1.2
409.31122	0.9
417.26257	0.9
437.34598	1.6
455.27014	1.5
473.28900	100.0
474.29358	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.45293	0.3
54.05143	0.3
54.17612	0.3
54.91370	0.3
55.05492	0.4
55.45276	0.3
57.03428	43.1
58.99556	0.4
59.04980	1.1
60.53280	0.3
61.04972	0.3
69.03419	4.9
70.36642	0.3
70.90182	0.7
71.04970	1.3
73.02913	0.5
81.03410	4.4
83.04955	0.7
85.02895	3.9
85.06555	0.5
87.04470	0.7
89.06039	1.8
89.06505	0.3
92.28863	0.3
95.04970	0.4
97.02880	3.5
99.04440	10.7
100.02211	0.9
100.84985	0.3
109.02864	2.8
110.06045	0.4
113.05996	1.1
115.03940	0.7
117.04649	0.8
117.05478	16.6
117.09140	1.6
121.02843	0.5
127.03886	5.9
129.05476	1.7
130.05782	0.5
131.07021	100.0
132.07391	1.1
141.05489	1.6
142.33401	0.4
145.04982	1.9
146.02734	1.0
147.04398	0.5
153.01736	1.8
153.07526	0.7
154.02083	0.4
159.06519	3.7
163.06004	0.9
177.07553	12.7
177.49469	0.3
181.05185	0.4
225.07596	0.3
237.02800	0.4
243.08618	0.9
261.09891	0.5
275.11115	0.5
281.61685	0.4
285.09720	0.9
297.11893	0.3
303.10651	3.3
321.11731	5.0
334.97992	0.4
419.15463	1.1
437.16394	2.0
473.20419	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.01868	0.8
55.05498	1.9
57.03420	1.8
57.07061	3.5
61.02907	0.9
67.05494	2.6
68.47480	0.7
69.03413	4.5
69.07048	1.0
70.06574	2.7
70.71926	2.1
71.04984	36.2
71.36930	0.7
73.02913	0.9
74.04487	0.6
79.05455	1.3
81.03406	3.4
81.07043	2.3
83.04958	1.0
83.08603	1.5
85.02890	5.0
85.06525	7.8
86.09680	1.7
87.04458	0.9
88.91969	0.9
90.55399	0.7
91.05465	0.8
93.07038	1.8
95.04960	2.3
95.08604	1.1
97.02878	4.0
99.04439	2.0
99.08069	0.9
100.11234	1.3
103.07569	2.3
105.07018	1.3
106.02886	0.7
106.63113	0.7
107.04932	0.8
107.08576	0.9
109.02870	2.7
109.06487	1.0
109.10119	0.9
110.06046	0.8
111.04408	1.3
113.06004	5.7
116.10654	0.8
121.06473	0.9
121.08546	1.4
124.03915	1.6
124.07563	1.0
125.05938	0.7
127.03899	5.9
127.07549	19.8
128.07033	0.8
130.51791	0.7
131.04903	1.4
131.07033	14.2
131.08540	1.4
136.07535	0.9
137.05956	2.6
138.09024	0.9
141.09082	1.2
145.04929	1.8
145.08580	100.0
146.08977	1.2
147.08047	1.0
151.07524	0.9
153.01823	1.0
155.07028	1.4
159.07889	0.7
159.10172	4.9
161.05948	1.0
163.07455	0.9
166.08630	2.2
167.06961	1.3
173.08127	3.4
182.15416	3.3
185.08165	0.7
187.07509	0.7
191.09132	15.8
206.77621	0.7
210.14870	1.7
211.09691	1.2
229.10591	0.9
230.46469	0.8
249.07301	0.9
265.12836	2.3
269.14697	0.8
275.11319	0.8
275.14877	1.1
289.12805	4.0
299.11215	1.2
303.09354	0.7
303.13260	1.2
307.13910	0.8
317.12329	2.7
335.13300	7.7
359.16791	0.8
401.17996	1.0
419.19144	6.8
436.18750	1.2
437.20154	2.8
454.19952	2.0
454.32761	2.1
472.20416	0.8
472.33704	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	472.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65964	0.5
53.03930	1.6
54.73650	0.6
57.03442	3.0
59.04985	1.2
60.14883	0.5
61.02906	0.9
67.05511	0.7
69.03420	4.3
69.07047	0.7
70.06580	6.1
71.04969	2.3
71.62031	0.7
79.01835	2.3
79.42082	0.6
81.03413	9.1
83.04987	1.2
85.02892	4.8
85.06521	1.4
86.09698	1.0
91.05480	1.0
95.04964	0.7
95.08582	1.6
95.83523	0.6
97.02869	7.3
99.04429	2.4
103.03956	0.6
107.01280	0.9
108.04436	0.7
109.02863	5.9
109.10140	0.7
112.07583	5.6
117.05474	1.4
122.06065	0.6
123.08033	0.9
125.02374	3.2
127.03899	9.1
129.05472	3.0
131.07028	6.3
136.07567	0.7
140.07076	4.3
141.05377	1.2
143.03358	4.9
143.06996	0.6
145.04948	3.6
145.08548	2.8
146.08965	0.6
147.04411	1.2
147.06494	0.8
153.01811	100.0
154.02116	1.4
160.07532	1.7
165.05495	0.7
171.02875	14.5
177.07545	1.4
182.08061	0.7
182.99820	0.6
203.87576	0.6
231.06636	1.1
247.33232	0.6
297.05997	11.3
315.07059	12.7
321.11545	0.8
472.19705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05507	0.6
55.26969	0.4
57.03431	1.0
59.05008	3.1
65.03942	0.4
67.05186	0.6
67.05495	3.4
68.05032	1.0
69.03429	1.9
69.07063	0.8
69.63383	0.8
69.63779	3.5
70.06561	0.4
71.04993	1.7
79.01835	0.9
79.05505	0.9
81.03409	3.1
81.52858	0.4
83.04996	0.7
84.04503	0.8
84.08138	3.8
85.02892	3.4
85.06486	0.8
91.05471	0.6
93.07085	0.6
94.06559	24.4
95.04442	0.5
95.04967	3.1
96.04481	19.1
97.02896	2.5
98.06062	0.5
98.07199	0.6
98.20740	0.8
99.04428	0.9
99.07986	0.5
100.48370	0.4
101.02356	0.8
101.06001	0.9
101.07095	0.5
107.01288	0.6
108.10394	0.4
109.02869	2.6
110.06036	0.6
112.07593	23.2
113.05993	7.9
113.07944	0.5
113.09630	0.8
115.60537	0.4
117.05564	0.5
120.94868	0.4
122.06019	31.1
123.04422	1.6
124.03920	1.0
124.07536	0.5
125.02327	1.1
127.03910	2.6
129.05478	5.2
131.07021	1.9
138.05446	0.8
139.07497	1.7
140.07051	77.6
141.07454	1.0
141.09019	0.5
143.03381	1.5
145.04955	1.1
146.84901	0.5
147.06487	1.3
153.01816	26.3
157.08597	0.9
158.08112	100.0
159.08406	1.1
171.02858	2.3
194.04427	0.6
257.10004	0.5
291.10605	1.3
297.05902	1.8
315.06909	2.0
454.16504	0.4
472.16827	0.6
499.30933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.5
53.03924	2.5
55.05503	19.3
57.03418	1.7
57.07069	8.1
59.04977	2.0
65.03934	2.6
67.05497	31.1
69.07059	34.9
69.58755	6.3
69.59184	4.7
71.04979	2.5
71.08619	2.5
79.05479	16.8
81.07047	65.1
83.04971	18.4
83.08613	13.7
85.06520	4.1
91.05482	12.6
93.07029	35.6
95.04948	4.8
95.08591	100.0
97.06503	3.3
97.10152	7.1
98.20739	2.7
99.08086	3.4
105.07016	31.7
107.04903	1.7
107.07853	2.8
107.08578	49.1
109.06519	6.8
109.10142	55.9
111.08056	2.4
111.11665	3.5
113.09618	2.3
117.06977	3.6
119.08566	46.1
121.06480	5.8
121.10120	36.4
121.48427	1.4
123.08069	6.8
123.11689	38.6
125.09608	2.0
127.11176	2.4
129.07030	2.5
131.08551	9.8
133.10110	34.9
135.08032	15.5
135.11676	26.2
137.05840	1.3
137.09639	4.6
137.13269	9.5
139.11195	2.0
141.12737	5.1
143.08537	4.2
145.10086	15.1
147.08009	4.3
147.11670	21.2
149.09628	7.3
149.13248	15.0
151.11163	2.5
151.14818	1.8
156.09348	2.1
157.10101	10.0
159.11673	14.4
161.09607	6.4
161.13234	19.5
163.11125	5.1
163.14796	9.8
169.10159	2.5
171.11639	6.4
173.13214	12.1
175.11137	4.5
175.14777	13.1
177.12746	4.5
177.16333	5.6
179.14218	2.0
183.11729	2.6
183.13733	1.3
185.13248	3.4
187.14780	10.2
189.12756	3.2
189.16336	8.4
191.14299	3.0
191.17915	4.9
195.11694	1.9
197.13165	4.7
199.14780	4.4
201.12747	2.8
201.16331	5.0
203.14259	2.9
203.17905	5.7
205.15869	4.9
205.19455	2.6
209.13268	2.0
209.15382	2.2
211.14766	1.9
213.16374	4.0
215.14182	3.4
215.17931	3.7
217.15880	5.4
217.19363	6.8
219.17343	6.4
219.20915	1.7
225.16388	2.8
229.19417	3.7
231.17355	4.2
231.21036	4.8
235.20474	2.6
241.19289	1.9
243.17509	1.5
247.20721	1.5
253.19548	1.5
255.21075	2.9
271.20566	1.6
283.20526	1.7
311.23596	2.5
315.23163	1.5
395.29266	1.9
407.33179	2.8
411.32300	2.0
417.30948	1.9
425.33884	5.2
435.32367	5.3
435.36932	3.3
453.33087	25.4
455.53571	1.5
471.34268	26.1
471.38733	16.5
472.34933	3.2
483.14584	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	16.5
55.90645	1.0
57.07061	5.2
59.98171	1.2
65.03950	1.5
66.61542	1.1
67.05492	16.9
69.03412	2.6
69.07059	20.5
69.64240	8.5
71.04987	2.8
71.08614	1.9
77.52383	1.2
79.05486	10.0
81.07035	33.4
83.04954	3.4
83.08611	10.1
85.06513	3.2
91.05460	9.2
93.07030	20.7
93.97469	1.4
95.04956	2.5
95.08589	57.7
96.08908	1.7
97.06527	3.1
97.10151	7.2
98.20739	2.4
99.04451	2.8
99.08062	3.0
105.07011	17.7
107.04911	1.6
107.08569	31.7
109.06489	5.0
109.10137	34.2
111.08073	4.0
111.11666	2.3
113.09657	2.7
117.07034	3.4
119.08560	28.7
121.06477	3.4
121.10128	28.9
123.08024	2.9
123.11684	22.7
125.09582	2.1
127.11208	1.1
129.06931	1.3
131.08542	5.9
133.06432	1.5
133.10103	21.9
135.08034	8.0
135.11670	17.2
137.09608	3.4
137.13216	7.3
139.11172	2.3
141.12712	1.9
142.07822	1.5
143.08542	5.2
145.10095	12.6
147.08037	3.8
147.11661	15.4
149.09605	3.9
149.13214	12.1
151.07248	1.1
151.11122	2.2
151.14798	1.8
153.09103	1.1
153.12764	2.4
156.09329	2.0
157.10141	7.1
159.11676	13.0
161.09575	6.5
161.13211	13.5
163.11163	8.6
163.14777	9.1
165.12741	3.1
165.16341	1.2
170.10875	1.7
171.11697	5.9
173.09662	1.5
173.13252	10.3
175.11131	5.1
175.14786	15.5
177.12706	4.7
177.16344	4.7
183.11667	1.5
185.13214	4.7
187.11107	1.9
187.14745	7.7
189.12708	11.1
189.16341	10.0
191.14278	4.0
191.17918	3.4
193.15891	1.8
197.13190	2.4
199.14801	5.3
201.16360	3.5
203.14253	5.5
203.17847	5.6
205.15894	8.3
205.19588	1.4
211.14803	2.7
213.16408	3.2
215.14299	2.8
215.17917	3.5
217.15857	27.8
217.19540	3.8
219.17426	3.8
225.16309	1.4
227.17789	2.2
231.17360	4.0
231.21060	1.8
235.16888	29.3
243.17499	1.7
245.19022	1.9
245.22560	6.4
249.18541	1.4
253.19395	1.5
255.21135	1.6
261.18536	1.4
263.20139	2.6
263.23151	1.2
277.21869	1.4
279.19479	4.6
289.21381	1.5
297.22205	1.3
302.23447	1.1
311.23657	3.3
329.24579	2.2
331.26450	2.3
335.79117	1.3
341.21603	1.3
347.25900	1.9
409.34497	2.2
435.31635	2.7
435.36752	2.6
453.32990	7.2
453.37463	9.7
471.38629	100.0
472.38193	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	471.3463
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05498	9.8
57.03441	2.7
57.07071	5.0
67.05496	14.2
69.07057	27.8
69.56165	17.4
71.04973	3.1
79.05479	10.1
81.07046	39.1
83.04928	2.4
83.08601	9.2
91.05449	13.4
93.07027	31.8
95.04960	2.1
95.08598	57.9
97.06521	6.5
97.10152	5.6
98.21450	4.6
99.08030	2.4
105.07008	40.5
107.08578	50.4
109.06499	3.5
109.10141	30.0
111.08064	4.9
113.09574	2.1
117.07020	4.6
119.08568	80.5
121.06469	2.4
121.10122	47.5
123.08047	7.5
123.11707	14.0
123.27896	1.9
125.09625	6.8
131.08562	19.5
133.10117	60.6
135.07982	2.5
135.11679	21.9
137.09633	8.3
137.13245	3.8
137.51366	2.1
139.11163	2.0
142.07771	2.7
143.08519	16.3
145.10100	40.0
147.08127	2.3
147.11659	33.4
149.09599	7.5
149.13232	33.2
151.11119	3.9
155.08549	3.6
155.98866	2.4
156.09312	4.2
157.10109	22.3
158.10901	3.9
159.11673	47.3
161.09605	7.9
161.13239	24.0
163.11151	3.6
163.14818	33.5
165.12738	7.5
168.35559	2.0
169.10158	3.8
170.10831	2.5
171.11690	14.3
173.13235	38.9
175.11133	3.4
175.14796	39.8
175.16232	2.7
177.16362	59.8
179.14151	2.6
183.11664	4.6
185.13263	12.5
187.14793	71.5
188.15221	2.3
189.12694	2.5
189.16354	57.7
191.14378	3.1
191.17941	9.1
193.15831	14.3
195.11633	3.4
197.13246	6.1
199.14787	21.3
201.12787	2.4
201.16380	19.3
203.14282	3.7
203.17944	27.9
205.15829	4.2
205.19516	4.1
207.17432	6.6
211.14819	5.4
213.16342	21.0
215.14505	2.2
215.17912	38.4
217.15857	11.9
217.19426	2.3
219.17421	5.0
223.14760	3.5
225.16446	3.7
227.17879	9.6
229.15913	2.7
231.17491	11.1
233.18967	16.8
235.16881	36.4
237.16356	3.0
241.19487	4.3
243.20940	2.6
245.19077	2.6
247.16908	3.2
249.18448	9.3
250.18971	2.0
251.20026	92.0
252.20416	3.5
253.19516	2.0
255.21022	2.5
261.18637	3.0
295.24051	2.6
319.24106	3.0
329.61029	2.0
367.26019	3.1
379.26215	2.4
389.32001	29.5
407.33044	63.7
408.33401	4.6
417.31427	6.1
425.34103	100.0
426.34305	6.0
427.35745	4.1
435.32544	60.5
436.32712	5.0
453.33560	41.3
471.34787	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	471.3462
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03941	0.4
53.62667	0.3
55.05502	2.5
57.03412	0.7
57.07056	0.8
59.05017	0.3
67.05495	3.4
68.80576	0.2
69.03412	0.9
69.06708	0.4
69.07057	4.2
69.50779	1.5
71.04975	1.1
79.05476	2.8
81.03427	0.2
81.06570	0.4
81.07040	7.2
83.04974	3.5
83.08603	1.9
85.06540	0.5
91.05463	3.1
93.07030	7.0
95.04978	1.5
95.08589	11.1
97.06513	1.1
97.10166	0.9
98.21519	0.4
98.98448	0.8
99.08045	0.4
105.07008	8.8
107.08576	11.3
109.06499	1.0
109.10139	6.9
111.08074	1.4
111.11658	0.2
117.06999	1.3
119.08560	13.1
121.06512	0.8
121.10119	8.6
122.10434	0.3
123.08060	0.9
123.11698	4.2
125.09596	0.9
127.07526	0.3
127.11166	1.0
128.06209	0.3
129.06985	0.7
131.08537	2.6
133.06442	0.3
133.09087	0.4
133.10103	7.5
134.10442	0.3
135.08044	1.4
135.11665	8.5
137.09587	0.6
137.13205	1.4
139.07512	0.3
139.11153	0.9
141.06975	0.7
142.07867	0.4
143.08495	1.8
145.10089	4.5
147.08023	1.0
147.11653	5.2
149.09537	1.2
149.13243	2.3
151.07549	0.3
151.11156	0.7
153.09077	0.8
153.12730	0.3
155.00964	0.3
155.08525	1.1
157.10097	3.4
159.08052	0.8
159.11664	3.8
160.12396	0.3
161.09586	2.6
161.13225	3.9
163.11137	0.8
163.14781	2.2
165.12700	0.5
169.10091	1.1
170.10904	0.5
171.11674	2.4
173.09607	0.7
173.13232	4.0
173.14610	0.3
175.11188	1.1
175.14804	10.0
177.09160	0.3
177.12741	0.8
177.16362	2.7
179.14255	0.6
183.11668	1.3
184.12375	0.4
185.13280	1.8
187.11212	0.9
187.14781	4.3
189.09099	0.3
189.12769	0.9
189.16348	16.7
190.16666	0.5
191.10655	0.3
191.14247	0.5
191.17899	2.0
193.08575	0.3
193.12218	0.3
193.15923	0.8
195.11807	0.3
197.13214	2.9
199.14777	3.5
201.12692	0.8
201.16347	2.5
203.14313	0.7
203.17923	0.7
205.15878	0.7
207.13899	0.3
207.17381	2.5
209.13237	0.4
211.03653	0.3
211.14809	1.4
213.16313	1.9
215.14273	2.3
215.17838	1.2
217.15831	8.3
218.16132	0.3
219.13910	0.3
219.17352	0.5
221.15388	0.8
223.14786	0.4
223.16928	0.4
225.16399	0.8
227.14415	0.3
227.17917	1.5
229.15871	1.1
229.19530	1.0
231.13782	0.5
231.17487	1.1
233.15308	0.6
233.19041	0.4
235.16893	5.5
239.17856	0.6
241.19572	0.8
243.17413	0.4
243.21181	1.0
245.15433	0.4
245.18985	1.3
249.14680	0.3
253.19441	2.7
255.21021	0.7
257.18970	0.8
259.20505	0.5
261.14835	0.7
263.16364	0.3
267.21140	0.8
269.22632	0.5
271.20496	5.8
273.18732	0.4
273.21960	0.3
275.16171	0.3
279.21118	0.2
281.22437	0.3
283.20389	0.4
285.19012	0.3
285.22232	0.7
289.21808	0.3
299.19980	0.4
313.21643	0.5
317.21124	1.4
335.25806	0.5
389.31894	0.6
393.31631	0.3
399.81253	0.2
407.33206	2.2
411.28885	0.3
425.34097	10.8
426.34482	0.8
435.32605	2.1
453.33569	4.2
454.33774	0.3
471.34637	100.0
472.34967	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3461
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
51.39561	1.5
53.03929	1.9
55.05501	8.0
57.07053	1.6
66.58174	1.6
67.05478	6.9
69.07050	12.9
71.04974	4.5
71.08609	1.5
75.54939	1.6
79.05476	11.0
81.07043	16.6
83.05000	1.7
83.08605	5.0
85.06496	2.5
91.05460	13.4
93.07034	26.1
95.08039	2.7
95.08594	33.2
97.06504	2.6
97.10126	1.6
98.21445	3.5
99.08073	5.6
105.07012	33.1
107.08583	44.6
109.10146	21.7
111.08067	2.0
112.42901	1.5
117.06992	4.6
119.08562	59.9
120.08905	1.9
121.10123	37.3
123.08076	2.6
123.11660	8.8
123.48771	1.7
127.11127	2.9
127.13271	1.5
131.08533	26.6
133.10120	35.1
135.08057	3.6
135.11671	22.3
143.08511	3.9
145.10097	45.9
147.08044	2.2
147.11670	48.3
149.09586	3.2
149.13232	9.9
151.11168	3.3
153.09032	1.9
153.12648	2.3
157.10092	7.5
158.10861	2.8
159.11671	29.6
160.12164	1.8
161.13229	16.5
163.11119	12.3
163.14740	10.4
169.10110	2.8
170.10799	2.0
171.11674	6.3
172.12459	2.7
173.13231	21.6
175.14810	34.9
176.98163	1.6
177.12683	4.4
177.16338	21.5
183.11650	3.3
185.13237	8.2
186.13956	2.4
187.14783	52.6
189.12677	2.6
189.16350	34.0
191.14226	3.3
191.17885	3.5
195.13643	1.9
197.13272	3.8
199.14752	6.9
201.16347	100.0
203.17934	29.0
205.15843	83.9
206.16136	2.5
207.17422	13.9
207.19275	2.4
213.16379	5.6
215.17929	9.8
217.15871	3.1
217.19456	5.9
219.17403	12.6
223.16853	18.7
227.17940	3.8
229.16023	1.9
229.19344	2.2
231.17386	3.6
233.18959	3.5
235.16795	2.3
239.17802	2.1
241.19447	3.2
244.18025	1.9
247.16908	12.4
259.55582	1.6
317.65976	1.5
334.83481	1.5
353.28339	1.7
389.31833	5.3
407.33029	45.2
408.33295	4.3
409.34299	2.2
423.32196	1.7
425.34076	31.9
426.34393	1.9
435.32358	8.1
453.33649	23.5
454.34015	1.6
466.30664	1.7
471.34930	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	471.3462
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
52.41120	3.1
55.01836	3.9
55.05493	16.6
67.05491	24.0
69.03413	4.1
69.07050	23.9
70.21658	6.3
70.22047	8.7
71.04968	4.4
79.05482	20.8
81.07041	57.2
81.36325	2.7
83.04967	5.3
83.08614	12.6
91.05451	24.2
93.07031	43.8
95.04930	4.6
95.08594	84.5
97.06506	7.1
97.10159	10.2
99.08056	3.4
105.07018	62.1
107.08572	79.1
109.06529	6.7
109.10141	47.1
111.08070	9.0
111.76925	2.6
115.37722	3.0
117.06996	12.4
119.08573	100.0
121.10126	50.5
123.08027	8.3
123.11697	17.0
125.09612	14.8
127.11226	5.4
129.07008	8.0
131.08551	35.5
133.09105	3.3
133.10112	65.8
135.08041	6.8
135.11673	32.8
137.09560	5.6
142.07680	3.8
143.08539	11.0
144.09351	5.8
145.09024	5.3
145.10100	67.1
147.08020	3.3
147.11662	46.3
149.09538	7.2
149.13225	24.7
151.07523	3.7
151.11182	5.1
151.27504	3.0
153.09091	4.3
154.11862	2.9
155.08485	4.6
157.10088	18.1
158.10851	3.5
159.11661	55.0
161.09563	5.5
161.13235	33.7
163.11195	7.3
163.14810	22.6
165.12712	5.0
169.09973	6.1
170.10925	3.6
171.11668	16.1
173.09532	4.0
173.13248	41.1
175.11220	4.0
175.14799	46.5
177.12730	6.2
177.16377	27.2
183.11649	7.1
184.12390	3.4
185.13266	11.6
187.11189	3.1
187.14801	61.5
189.12723	6.5
189.16350	63.8
191.14278	11.3
191.17892	14.0
193.15811	5.5
197.13176	6.6
199.14783	19.4
201.12811	4.4
201.16354	76.7
203.14319	11.3
203.17891	56.7
205.15836	31.2
207.17296	4.3
211.14841	5.3
213.16368	28.4
215.17926	20.3
217.15813	9.2
217.19360	3.7
219.17371	30.0
221.15385	6.9
221.18860	3.2
223.14742	3.8
223.16823	4.4
227.17815	5.6
229.19492	7.5
231.17433	12.4
233.15417	6.8
233.18944	3.3
235.16919	6.4
237.18475	3.8
241.19485	7.3
247.16861	10.2
249.18513	5.5
253.19492	5.2
255.20906	6.7
259.20367	3.2
261.18530	7.7
264.11035	3.6
281.22577	4.6
293.22488	3.0
295.24039	3.3
301.21707	3.9
308.46439	2.9
327.23059	7.5
329.24792	4.5
341.24640	3.5
389.32141	14.2
395.33243	8.2
407.33105	42.1
408.55072	3.4
423.32376	13.8
425.34360	20.1
435.32718	39.2
441.33728	2.9
453.33881	45.2
471.35550	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04062	1.8
54.23443	1.8
55.01853	5.0
55.05500	22.3
55.55590	2.0
57.03422	7.0
57.07075	12.9
59.04993	2.9
59.05324	2.0
63.19319	2.1
65.03927	2.6
67.05492	41.6
69.03423	20.3
69.07058	57.4
71.04973	6.0
71.08616	6.4
71.62637	2.6
72.18715	1.8
73.02893	2.8
79.05476	31.4
81.03407	15.1
81.07042	100.0
83.04972	15.2
83.08602	23.9
85.02411	3.2
85.02891	34.0
85.06527	9.1
85.10146	2.1
87.04412	2.0
91.05468	29.0
93.07030	56.8
95.04935	13.3
95.08589	98.9
97.02872	10.3
97.06516	11.0
97.10149	15.0
99.04441	5.0
99.08086	7.2
103.05422	2.2
105.07009	46.9
105.66555	1.8
107.04915	3.5
107.07845	4.0
107.08572	61.1
109.02861	6.6
109.06490	13.5
109.10136	74.0
110.60967	1.8
111.04420	4.9
111.08064	11.2
111.11680	8.6
113.09629	2.4
114.12300	1.9
115.03879	2.8
117.06995	9.1
119.08558	48.7
121.06476	6.3
121.10121	45.0
122.10420	2.3
123.04388	3.4
123.08061	8.8
123.11690	32.6
125.05975	2.6
125.09595	5.4
125.13269	2.8
127.03891	12.0
127.11201	4.4
129.05502	4.6
129.07013	5.3
131.08545	19.1
133.09122	2.7
133.10115	42.2
135.08008	8.6
135.11665	26.8
137.05968	6.0
137.09604	11.1
137.13225	15.8
139.11122	5.4
141.09082	2.1
143.08546	11.2
145.04944	3.8
145.08440	2.2
145.08957	2.9
145.10083	31.6
147.04390	3.8
147.08054	5.6
147.11664	33.1
149.05946	2.2
149.09602	5.4
149.13216	21.0
151.07494	2.9
151.11130	6.8
151.14790	4.4
153.12737	5.6
155.08572	3.5
155.10612	3.9
156.09241	3.3
157.10071	9.4
159.07985	3.0
159.11658	23.3
161.09584	5.0
161.13248	21.5
163.03917	3.2
163.07547	3.0
163.11137	10.0
163.14809	18.9
165.09099	18.4
165.12706	9.3
165.16307	2.3
167.07011	2.9
167.08432	1.9
167.10739	2.3
167.14333	2.4
169.10027	3.2
171.11649	8.5
173.09641	2.7
173.13223	14.4
175.07474	5.0
175.11140	6.2
175.14787	16.9
177.09032	3.7
177.12648	2.7
177.16307	13.2
179.17967	3.3
183.11655	3.9
185.13239	10.3
187.11171	3.9
187.14778	24.1
189.09062	2.4
189.12700	3.0
189.16422	17.2
191.10658	3.0
191.14297	4.2
191.17931	8.6
197.13219	5.0
199.14813	7.9
201.12674	2.8
201.16365	39.6
203.14191	4.0
203.17946	18.5
205.12279	2.5
205.15839	36.9
205.19586	2.2
209.13339	2.3
211.14821	3.9
213.12704	2.9
213.16379	6.9
215.14236	3.8
215.17967	3.6
217.15878	2.2
217.19458	6.4
219.13670	3.1
219.17398	4.8
223.16904	6.8
227.14319	2.5
227.17931	4.5
229.15800	2.7
233.15288	3.0
233.18944	2.7
241.19426	2.7
247.16925	6.8
259.20618	2.7
261.25833	4.4
271.24075	2.7
273.25705	14.9
279.26785	5.1
291.19537	3.3
291.26706	24.9
309.07574	2.3
309.24628	3.0
309.27948	6.8
331.26239	2.3
333.27887	3.2
349.27475	2.2
357.27716	3.5
369.27750	3.0
375.28998	2.4
381.27713	3.5
387.28714	3.2
399.29031	13.5
407.33243	14.5
417.29922	7.9
423.30231	2.9
425.34042	6.4
435.31964	6.9
453.32745	6.2
471.22113	7.2
471.30966	6.9
471.35110	4.2
472.25635	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.2
55.05499	26.7
57.07067	7.6
67.05498	34.1
69.07058	28.3
71.04981	16.9
71.62946	5.9
79.05476	31.5
81.03402	13.4
81.07049	73.6
83.04974	10.5
83.08607	14.4
85.02869	5.1
85.06531	6.8
91.05457	32.8
93.07033	52.4
95.04960	15.3
95.08595	76.9
97.06508	9.5
97.10157	7.9
99.04441	3.6
105.07017	91.4
107.04928	10.4
107.08582	69.8
108.08954	3.9
109.06490	12.0
109.10152	53.5
111.08081	6.0
113.05985	6.5
113.09634	3.8
117.07005	12.1
119.08553	84.7
120.08928	5.2
121.06493	11.3
121.10121	71.0
123.08068	12.9
123.11691	41.0
125.09619	10.6
127.11176	11.2
129.07011	8.2
131.07106	4.2
131.08553	64.1
133.10107	60.7
135.08041	8.3
135.11664	41.7
137.05981	6.9
137.09622	11.1
137.13252	10.0
141.06955	5.5
142.07780	5.9
143.08568	22.8
145.10101	76.4
145.11140	7.2
147.08018	10.2
147.11681	40.0
149.05946	5.9
149.09586	11.3
149.13268	22.5
151.07532	6.1
151.14795	5.9
155.08466	9.4
156.09332	9.0
157.10103	37.5
158.10918	12.5
159.11684	59.0
161.09578	7.5
161.13283	28.3
163.11176	10.3
163.14828	18.1
165.09164	4.6
165.12772	10.4
169.10115	15.7
171.11671	44.4
173.09721	10.0
173.13231	83.6
175.11165	10.9
175.14824	41.4
177.12627	6.3
177.16438	8.6
181.10219	6.4
183.10127	14.1
183.11700	15.8
185.13214	40.0
187.11182	6.1
187.14799	100.0
189.12744	13.0
189.16350	33.3
191.10683	6.6
191.14268	8.7
193.12186	4.7
193.15944	6.0
194.26059	3.9
195.11658	4.8
197.13208	10.2
199.14763	21.1
201.12772	6.7
201.16373	17.4
203.14339	8.8
203.17892	5.7
205.15764	7.3
209.13362	4.7
211.14752	9.5
213.16356	13.6
215.14267	6.6
215.17920	7.5
217.12234	17.6
217.15785	6.4
219.13805	13.6
219.17511	5.5
221.13271	4.3
223.14734	8.0
223.16777	4.5
225.16397	5.5
227.17993	6.6
229.15900	6.4
231.13766	5.9
233.15350	24.7
235.16899	7.0
237.14720	6.2
239.16483	12.1
245.15399	10.5
247.16957	5.6
273.18375	4.0
293.22766	5.3
295.24194	12.6
297.25580	3.9
339.23392	4.1
372.46799	4.3
376.16287	3.6
393.27609	3.9
407.29282	17.0
409.30704	6.2
425.30200	49.6
427.31976	10.7
435.28772	14.1
435.33508	6.5
453.28522	17.9
453.34213	12.4
471.30078	41.0
471.35403	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	471.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.05503	17.1
57.07076	4.1
59.57964	2.6
65.82535	2.7
67.05492	21.7
69.03416	4.2
69.07056	21.1
69.48424	14.8
69.48846	8.4
71.04975	7.4
79.05478	23.7
81.03393	10.8
81.07046	53.6
83.04957	11.0
83.08600	8.1
85.02914	3.8
91.05463	37.6
91.43108	3.0
93.07032	51.2
95.04944	13.5
95.08595	63.1
97.06508	8.3
97.10159	6.9
98.21555	5.1
99.08086	3.3
105.06370	2.3
105.07004	57.2
107.04916	9.1
107.08575	63.7
108.08894	3.3
109.06499	9.6
109.09417	5.1
109.10130	40.2
111.04415	3.3
111.08026	6.4
117.07037	18.6
119.04893	4.0
119.08558	91.9
121.06480	9.3
121.10115	43.0
123.04443	3.8
123.08006	6.3
123.11678	10.6
125.09600	6.7
128.06226	4.3
129.06992	12.2
130.07773	5.2
131.08542	59.6
133.06532	3.5
133.10109	74.2
135.08043	7.5
135.11638	20.9
137.05984	3.1
137.09627	6.6
142.07768	6.8
143.08531	20.9
144.09265	3.7
145.10097	79.3
147.08028	7.0
147.11655	40.8
149.09572	9.8
149.13234	30.9
151.07542	6.4
151.11125	3.0
153.09109	4.9
155.08527	8.4
156.09358	6.7
157.10129	31.2
158.10847	8.8
159.08080	9.4
159.11665	56.8
161.09567	9.7
161.13246	38.2
163.11172	8.0
163.14799	32.6
165.09106	6.3
167.10588	3.7
169.10144	8.6
171.11655	22.4
173.09647	6.4
173.13225	45.8
175.11179	10.1
175.14792	28.5
177.12766	15.4
177.16339	12.8
179.10625	4.6
183.11688	13.2
185.13219	20.6
187.11180	4.8
187.14796	100.0
187.16438	6.7
189.12721	15.8
189.16354	72.4
191.10680	4.2
191.14268	12.7
191.17897	21.9
195.11653	3.5
197.13342	5.9
199.14844	15.2
201.12801	11.1
201.16345	67.9
203.10657	4.0
203.14313	7.6
203.17961	16.7
205.12213	11.7
205.15877	5.5
207.13802	21.6
207.17368	3.8
209.13269	5.9
211.14778	5.9
213.12712	7.8
213.16333	10.6
215.14273	9.9
215.17931	4.6
217.15741	6.4
219.13762	12.2
223.14835	3.8
225.16301	3.5
227.14230	3.4
227.17871	6.7
229.19429	4.0
229.49818	3.3
231.13737	7.4
233.15366	8.0
235.16814	22.4
237.16417	4.5
241.15779	6.5
245.15331	6.9
247.16908	11.6
249.14891	3.6
259.16962	9.2
262.52356	3.5
277.17960	7.1
304.21790	3.0
389.28311	15.2
391.30502	3.7
407.29105	29.8
409.30988	5.6
425.30228	51.4
427.32239	20.2
435.33255	7.0
453.29721	11.9
453.34625	4.9
471.29932	18.4
471.35306	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3101
Annotation	CHEBI:69590
Peak:m/z	Relative Intensity
53.03920	3.3
55.01850	2.5
55.05494	8.9
57.03412	4.0
57.07051	2.8
65.03922	1.9
67.05494	18.3
69.03407	5.6
69.07059	13.0
69.07378	2.7
71.04949	2.3
79.05478	26.3
81.03344	1.9
81.07050	32.0
82.07422	2.0
83.04962	4.5
83.08595	3.7
83.33952	1.8
85.02879	5.4
85.06506	5.7
91.04948	3.0
91.05470	34.5
93.06477	3.1
93.07034	54.4
95.04964	9.4
95.08036	2.9
95.08595	36.6
95.30125	1.6
97.02862	3.5
97.06506	5.4
97.10132	1.8
98.21593	3.5
99.08078	37.1
103.70252	1.7
105.04494	2.0
105.07014	59.0
105.41448	2.0
107.08578	90.1
109.06494	9.2
109.10146	29.4
111.04424	1.9
111.08049	5.6
115.05424	2.4
117.06974	12.8
119.08569	86.4
121.06477	9.7
121.10131	35.9
123.08025	8.3
123.11654	7.1
125.09616	2.7
127.07539	8.8
127.11151	3.6
128.06168	5.4
129.06999	10.1
130.07748	2.6
131.08551	53.6
133.06471	2.3
133.10115	56.1
135.08020	14.9
135.11664	21.1
137.05951	3.3
137.09595	6.6
137.13213	2.4
141.06921	5.0
142.07727	7.9
143.08534	28.2
144.09253	3.8
145.10100	52.1
147.07996	7.9
147.10492	2.6
147.11661	47.2
149.05901	2.0
149.09605	9.1
149.13266	8.5
151.07524	2.8
151.11200	3.7
153.06905	2.3
153.09050	3.7
153.12724	4.2
154.07825	2.1
154.26845	1.9
155.08513	9.3
156.09317	13.7
157.08769	2.3
157.10109	46.6
158.10800	5.5
159.07994	2.9
159.10434	2.8
159.11671	42.6
161.09579	10.9
161.13226	26.3
163.11130	9.6
163.14795	8.4
165.09085	4.7
165.12712	2.7
167.08514	4.4
168.09303	2.4
169.10092	21.2
170.10872	4.7
171.10222	3.6
171.11667	58.1
172.12375	2.8
173.09599	3.4
173.13235	57.5
175.07513	1.9
175.11151	7.1
175.14809	11.7
177.12653	4.8
177.16342	5.7
179.08635	2.9
179.10519	2.2
179.14285	4.5
181.08601	4.1
181.10068	5.4
182.10898	4.1
183.11662	28.1
184.12427	4.9
185.09517	2.8
185.13264	30.3
187.11140	4.8
187.14769	25.6
189.12677	9.8
189.16371	7.2
190.35419	1.9
191.14236	8.3
191.17902	1.8
193.10071	2.7
195.11627	9.8
196.12218	2.7
197.13257	21.4
199.11165	3.4
199.14796	34.0
201.12700	4.4
201.16336	16.4
203.10693	2.5
203.14249	7.6
203.17970	4.4
204.85869	1.8
205.12096	2.1
205.15816	4.9
207.11630	3.9
209.13228	13.4
211.14821	14.9
213.12776	3.8
213.16400	18.6
215.14268	6.6
215.17899	4.1
217.12175	5.5
217.15811	7.1
219.11777	2.2
219.13756	2.3
219.17316	2.9
220.12302	1.8
221.13142	5.4
223.14815	8.9
225.12794	2.3
225.16296	8.4
226.17159	2.2
227.14291	3.0
227.17889	6.6
229.15796	4.7
231.13608	2.2
234.13974	3.0
235.12915	3.6
235.14915	4.3
235.16856	2.9
237.16333	7.8
239.14198	2.5
239.17966	8.6
241.15720	3.2
241.19476	3.2
243.17357	2.9
247.14774	2.1
249.16437	8.7
251.17947	8.4
253.19463	8.0
255.17401	4.2
255.21037	3.3
257.18863	2.4
260.15353	2.4
265.19406	2.3
267.17441	7.4
267.21146	2.1
269.18988	6.2
271.16943	2.7
271.20380	3.5
273.18768	2.0
285.18378	6.6
285.21869	4.2
293.08585	1.9
295.16992	4.2
295.20352	3.6
297.22128	1.9
304.77148	2.0
306.54483	2.2
313.17853	16.4
317.22488	5.2
323.20200	2.3
323.23654	5.2
325.25061	2.2
331.18970	33.6
335.23523	7.4
337.25098	2.9
341.24646	2.1
353.24615	3.5
363.23093	4.2
371.26788	2.6
379.26047	2.3
381.24149	7.4
389.28357	17.4
391.29999	4.2
395.29059	3.9
397.27362	2.5
399.25211	91.2
407.29260	27.4
409.30884	3.2
417.27509	4.7
425.30313	25.6
435.28674	14.2
453.29727	45.7
470.71558	2.1
471.30859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
55.01875	4.9
55.05497	19.4
57.03419	3.4
57.07063	6.2
61.02898	1.9
67.05492	29.0
68.75887	1.8
69.03417	11.8
69.07063	27.0
71.04978	7.7
71.62615	2.9
77.03903	2.8
79.05040	3.4
79.05478	37.6
81.03406	5.3
81.07044	62.4
83.04970	8.3
83.08597	11.9
85.02890	11.8
85.06564	10.4
86.70413	1.9
87.04469	2.5
91.05467	37.9
93.06457	4.3
93.07030	71.9
93.07618	4.5
95.04953	12.3
95.08594	67.2
97.02862	4.5
97.06534	10.2
97.10147	4.3
99.04424	4.5
99.08086	32.4
101.05984	3.5
103.05444	2.3
105.04533	2.0
105.07013	71.9
107.04921	3.9
107.08578	92.7
109.02866	6.2
109.06496	14.0
109.09440	4.3
109.10142	49.7
111.04393	2.8
111.08074	8.1
111.11717	3.0
115.03905	3.4
115.05363	2.3
117.07007	19.7
119.04939	2.8
119.08567	100.0
121.06506	14.4
121.10127	47.7
123.04434	2.3
123.08043	12.6
123.11697	19.8
125.05978	3.4
125.09619	7.2
125.70890	2.1
127.03873	10.6
127.07538	7.9
128.06194	4.1
129.06982	14.5
129.09131	2.4
130.07755	3.6
131.08549	52.9
133.06514	3.6
133.09090	3.0
133.10114	63.7
135.08023	15.9
135.11673	55.9
137.05960	6.5
137.09589	13.9
137.13187	5.4
139.11157	4.7
141.07013	3.7
142.07800	6.7
143.08528	29.6
144.09291	3.6
145.10103	59.5
147.04381	13.9
147.08006	8.0
147.11662	59.2
147.12567	1.2
149.05988	2.4
149.09584	9.7
149.13213	17.0
151.03848	2.6
151.07521	4.5
151.11168	4.0
153.12717	8.1
155.08542	10.4
156.09329	7.9
157.10112	43.1
158.10828	5.6
159.08029	3.5
159.11667	56.3
161.09593	8.4
161.13254	31.1
163.07530	2.9
163.11143	10.0
163.14786	22.5
164.16013	2.3
165.06938	3.0
165.09090	37.8
165.12694	5.0
167.07069	4.7
167.08560	3.5
167.10699	3.0
169.08769	3.4
169.10062	16.8
170.10861	4.6
171.11670	48.6
172.12422	3.6
173.09584	6.3
173.13234	54.1
174.13921	2.6
175.11186	7.3
175.14806	31.9
177.12674	5.0
177.16405	10.9
179.14281	4.4
180.34427	1.9
181.08678	3.7
181.10115	5.4
182.10822	5.1
183.11653	21.4
185.09616	2.5
185.13240	26.9
187.11133	7.6
187.14775	31.4
189.12762	12.8
189.16341	14.7
191.10590	2.7
191.14297	11.0
191.17950	3.4
193.10272	2.6
193.15900	9.2
195.11664	6.9
197.13223	13.5
199.11217	4.1
199.14803	32.3
201.12802	4.9
201.16347	40.0
203.10616	4.0
203.14308	8.3
203.17935	8.7
205.12253	7.2
205.15858	14.7
207.11716	3.5
207.13689	2.7
207.17392	2.9
209.13284	9.3
211.14886	12.3
211.16614	3.1
213.16345	13.1
214.17188	8.4
215.14331	3.5
215.17998	16.0
217.12186	4.1
217.15863	9.1
219.13600	2.9
219.17429	8.5
221.13239	6.1
223.14789	8.1
225.16367	6.7
227.17972	9.2
229.15852	4.6
231.13676	2.6
233.15303	4.7
233.18968	2.7
235.13148	4.2
235.16888	3.8
237.16400	4.3
239.17905	7.4
241.19463	2.7
245.18993	3.5
247.14691	3.3
247.16928	4.2
249.16364	6.1
251.17859	6.4
253.19504	5.8
255.17305	4.8
257.18927	3.1
261.18518	3.7
267.17487	6.9
267.20807	3.8
269.19055	3.0
273.18625	4.6
273.21841	3.1
277.19507	2.3
285.18515	4.1
291.19583	4.6
291.23148	2.8
291.26773	7.1
295.16925	6.3
295.20218	2.5
309.20587	2.9
313.17856	14.3
329.17181	2.6
331.19003	26.2
335.23743	5.0
353.24799	3.7
363.22882	2.7
367.29758	5.0
371.27020	3.7
379.29898	5.1
381.24167	5.8
389.28143	13.2
391.29517	3.7
395.33197	14.0
399.25235	76.4
407.29160	18.0
407.33853	29.7
417.27893	3.1
425.30157	14.1
425.34241	16.9
435.28387	15.3
441.33676	4.0
453.28995	34.6
459.03223	2.3
471.21365	24.7
471.30637	63.7
472.31235	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05491	1.4
57.03429	54.3
60.19044	0.5
67.05492	3.1
68.72660	0.4
69.03410	3.0
69.07052	7.6
70.06573	0.5
71.04964	3.7
71.05525	0.8
73.06544	0.8
79.05482	19.8
81.03400	4.4
82.28578	0.5
85.02918	3.1
85.03363	0.4
85.06538	1.3
89.06039	2.6
95.04944	1.2
96.40338	0.5
97.02878	3.3
97.06520	10.5
99.04438	11.2
109.02874	2.0
109.10146	0.6
111.08098	0.5
113.05962	1.2
113.09528	0.5
115.07545	9.4
117.05475	15.2
127.03893	4.6
131.07021	100.0
132.07356	1.2
133.08583	11.4
139.03941	0.5
141.05421	1.9
145.04990	1.4
151.09625	17.1
153.01807	1.2
159.06493	4.9
177.07562	12.4
189.18156	0.6
223.09825	0.5
243.08600	0.7
261.09500	0.7
285.09637	1.5
303.10706	4.0
319.13812	0.9
321.11719	5.6
349.11548	0.6
417.17575	1.3
434.88828	0.5
471.14563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90399	0.7
54.10061	0.6
55.05468	0.8
67.05474	1.0
69.03413	2.0
69.68185	2.4
69.68606	2.0
71.04980	43.6
77.89883	0.6
81.03386	2.1
83.04956	2.0
85.02895	2.9
85.06540	5.0
95.04957	1.5
97.02873	2.4
99.04433	0.8
101.06010	5.1
109.02845	1.8
112.47516	0.7
113.05965	4.7
119.06996	1.0
127.03880	3.9
127.07542	13.5
129.05453	0.6
131.07014	12.4
137.08078	2.5
145.08574	100.0
146.08891	0.8
151.32530	0.6
173.08080	3.2
191.09119	12.7
271.22394	0.6
275.11273	0.8
299.11502	1.0
303.01508	0.7
305.12177	2.2
317.12378	3.3
335.13327	5.4
417.17453	1.2
435.18704	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60546	0.3
53.03947	0.5
53.68999	0.3
54.47180	0.2
55.05502	2.9
57.03435	0.9
59.04983	0.3
61.02908	0.4
67.05486	0.9
69.03419	2.9
69.07047	0.5
71.04983	40.7
71.08601	0.3
71.60807	0.5
72.05330	0.3
72.59890	0.3
81.03409	2.3
81.07050	0.7
83.04976	4.1
83.08611	1.1
85.02893	3.6
85.06535	5.6
85.07644	1.0
85.49044	0.3
85.82053	0.2
94.06557	0.4
95.04958	1.4
95.08569	0.6
97.02872	3.0
99.04443	1.1
100.07600	0.4
100.11245	8.8
101.06006	7.0
103.07565	0.4
107.93990	0.3
109.02874	2.3
109.06528	0.4
111.04445	0.7
112.07605	0.5
113.05986	5.5
117.09086	0.4
119.08530	0.5
122.06002	0.7
123.08110	0.3
124.07592	1.5
127.03898	5.1
127.07540	18.2
128.07037	0.5
128.56998	0.3
129.05461	1.2
131.07025	12.8
135.08066	0.3
137.08086	0.8
139.08603	0.3
140.07043	1.5
141.05440	0.6
141.07384	0.5
141.09129	0.3
141.49934	0.3
142.08614	0.5
143.07066	0.5
145.08580	100.0
146.08917	1.3
147.06523	0.5
147.11581	0.3
151.03876	0.5
152.04294	0.3
153.01875	0.3
155.07008	1.3
158.08112	1.0
159.08397	0.7
173.08084	2.4
177.11176	0.4
182.15422	2.4
184.11757	0.3
185.08083	0.5
187.06007	0.7
191.09132	9.1
205.07024	0.3
207.13898	0.6
209.16507	1.9
210.14902	2.7
227.09041	0.3
227.17644	0.4
228.15964	0.5
245.18523	0.3
257.10178	1.0
263.11377	0.7
275.11310	0.6
281.12311	0.6
287.11295	0.3
299.11261	0.6
305.12311	2.4
307.38821	0.3
317.12250	2.8
335.13367	3.3
375.16757	0.3
417.17435	0.9
426.81955	0.3
435.18732	1.8
453.19724	0.3
471.35376	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	471.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.2
55.05486	0.9
57.03421	1.1
57.07060	1.3
67.05469	1.5
69.03065	0.8
69.03419	9.3
71.04974	1.6
71.62150	1.0
79.05484	2.0
79.74422	0.6
81.03398	1.2
81.03867	0.5
81.07043	2.9
83.04964	0.9
85.02877	2.0
85.06528	2.7
86.09658	0.7
91.05465	7.5
93.07009	1.5
94.04166	2.2
95.04955	4.0
95.08576	1.3
97.06518	0.9
99.04415	1.0
99.31158	0.5
103.05431	3.5
105.07011	2.8
107.04929	2.4
107.08553	1.4
109.06519	2.5
109.10110	1.0
111.04428	13.2
115.05474	1.8
117.07015	3.1
119.04922	5.9
119.08564	2.0
121.06493	1.3
121.10040	0.6
122.03606	5.1
123.08061	0.8
125.06002	0.7
125.09641	0.5
127.03897	1.0
128.06204	1.0
129.06998	1.3
131.04909	6.8
131.08554	1.4
133.06470	2.1
135.04349	1.0
135.08058	1.0
136.05171	1.0
137.05956	100.0
138.06313	2.2
141.06929	1.6
141.09132	0.7
143.04887	1.4
143.08514	1.1
144.05705	0.9
145.06464	5.1
145.08566	0.7
145.10106	0.9
146.03549	0.8
147.04391	12.1
147.07982	0.9
149.05954	2.2
149.09596	0.9
151.03874	1.3
151.07513	34.9
152.07892	0.7
153.06944	2.1
155.08562	3.1
157.06500	1.9
159.04352	0.6
159.08043	1.9
159.10181	1.4
159.11600	0.8
160.05190	1.8
161.05956	5.0
161.09579	0.7
162.06702	0.7
163.07516	9.8
163.11134	0.8
165.05524	1.4
165.06972	2.9
165.09090	2.3
167.07022	2.6
169.06476	1.1
171.08057	1.7
172.05144	0.6
173.05994	0.9
174.06740	1.3
175.07518	26.6
177.05453	3.2
177.09077	5.0
178.09413	0.6
179.06996	5.6
179.08434	0.8
179.10622	1.0
181.06482	1.2
181.08487	0.7
182.07332	0.6
183.08037	8.6
184.07317	1.3
185.05919	0.8
185.09633	0.6
186.06691	0.5
187.07506	6.8
189.05537	0.9
189.09061	5.6
190.06100	0.6
191.07001	2.8
191.10574	1.5
193.08620	4.5
195.08084	0.8
195.10049	1.4
197.09566	0.9
199.07541	2.2
201.05359	0.7
201.09084	7.7
203.07008	1.4
203.08739	0.9
203.10646	2.2
205.08519	3.7
207.08273	0.8
207.10036	3.0
208.08810	1.0
209.09753	0.8
211.07516	1.3
213.09059	1.5
215.07082	0.8
215.10548	2.7
217.08511	2.7
218.07219	0.6
219.08109	1.3
219.10115	12.1
221.08058	1.3
223.07564	0.7
225.09189	1.2
227.10587	1.0
229.08545	2.7
229.12163	1.0
231.10051	3.5
235.07426	1.1
235.09572	1.0
236.08257	0.8
237.09041	0.8
239.10684	1.5
241.08513	1.0
243.10133	1.9
245.07870	0.6
247.09599	1.2
247.13216	0.9
248.08339	0.7
249.08894	0.7
249.11163	1.3
251.10670	0.9
253.08601	2.3
257.11765	1.9
259.09671	0.9
261.08987	1.3
265.08524	1.0
265.12241	0.8
267.10193	1.2
268.11105	0.7
271.09763	1.2
273.11398	1.0
273.18628	0.6
275.12769	4.0
277.08432	1.0
278.09415	0.9
279.10083	3.7
281.11786	0.6
283.09583	1.2
290.09302	0.6
291.09985	1.8
291.19409	0.9
293.08295	0.7
293.11481	1.3
295.09668	1.2
296.10483	1.2
297.11276	2.4
299.09735	0.7
299.12796	5.9
303.10043	1.0
307.09555	1.1
309.11252	1.4
310.11856	0.9
311.12869	6.3
317.14246	1.0
321.10983	1.5
323.12753	1.3
325.14273	4.8
329.13889	6.0
331.13373	0.6
334.11987	0.9
335.12640	1.6
337.14334	2.4
339.12677	0.9
343.15424	2.3
347.12692	1.3
349.14536	1.1
353.13809	2.3
355.15265	7.1
365.13666	0.8
367.15430	2.4
369.16882	1.2
371.14880	0.7
377.13492	1.2
379.15451	1.6
393.16925	0.7
395.14456	0.6
397.16489	1.5
409.16238	1.1
417.16858	0.7
423.18164	1.1
435.18015	2.0
453.19107	4.4
471.09149	5.5
471.19830	5.7
472.08984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.0
62.43969	1.0
62.57049	1.1
69.03397	1.7
70.89874	2.3
70.90247	2.3
71.04975	1.1
81.03370	1.0
81.29457	1.0
83.06091	1.0
84.04465	1.6
84.08118	7.4
85.02884	2.9
91.05470	1.3
93.07029	1.1
97.02856	2.1
97.06509	1.3
107.63955	1.0
109.02840	1.6
112.96162	1.1
113.05935	2.4
117.09119	1.4
118.06488	2.2
123.04379	3.0
127.03918	1.4
130.40753	1.3
131.07021	1.4
139.03880	3.1
139.05417	1.5
139.07449	1.2
140.06979	1.1
144.08002	1.4
145.04898	1.2
146.05971	5.1
147.04398	1.4
153.01759	7.0
155.03468	1.4
157.08571	2.1
163.03824	1.8
167.04871	3.1
188.07065	9.8
195.04440	3.4
201.05368	1.2
205.09697	4.4
213.05386	1.2
223.03889	6.3
235.04065	1.3
239.03416	2.7
240.97266	1.0
241.04854	2.3
247.14072	1.1
251.03397	10.9
253.04982	1.2
267.02780	5.4
269.04443	1.7
276.02640	1.3
279.02856	8.2
285.03796	1.3
295.02316	6.8
297.03922	3.7
307.02295	12.0
309.14380	1.8
311.01791	1.8
313.03400	3.6
323.01782	24.7
325.03326	7.4
335.01590	5.2
341.02795	6.4
351.01312	22.7
353.02710	2.9
355.00687	1.5
363.01300	30.3
369.02420	1.4
377.19156	1.3
379.00757	54.7
380.01025	1.8
381.02124	4.3
391.00818	22.0
397.01471	1.2
407.00278	73.5
408.00424	2.0
409.01846	6.2
410.87930	1.2
425.01202	3.6
434.99649	4.4
453.00809	90.6
454.01013	3.7
471.01816	100.0
472.02130	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
54.35680	1.6
55.01854	12.9
55.05502	2.2
56.20013	1.8
57.03426	5.7
57.07064	8.1
59.04996	3.9
60.04499	5.0
61.02923	2.7
65.03941	2.7
67.05484	8.1
68.90479	1.9
69.03426	16.5
69.07051	10.9
69.32681	12.9
69.33105	7.6
70.02939	7.2
70.06572	2.0
71.04974	7.3
72.04506	26.7
72.08134	3.3
73.02901	14.9
79.05467	4.2
81.03397	23.8
81.07040	6.4
83.04964	9.3
84.04509	2.8
85.02887	20.2
85.06528	20.0
86.09695	3.8
87.08086	2.7
89.06033	2.2
90.05540	46.5
91.05455	4.3
93.07022	3.1
95.04417	2.5
95.04964	17.9
95.08598	2.2
96.04472	2.3
96.08092	3.0
97.02885	16.0
97.06523	2.1
98.02389	16.1
99.04458	10.6
99.08090	2.5
100.03968	7.9
103.03940	3.0
103.07574	3.7
107.04922	2.3
109.02865	42.2
109.06506	3.4
110.05988	2.6
111.04404	4.0
112.07606	3.3
113.05317	1.8
113.05979	11.6
116.03436	29.6
117.05449	4.9
119.04960	3.6
121.06464	3.0
123.04407	29.6
123.08096	2.6
124.07570	29.7
124.73232	1.8
125.02374	2.6
125.05945	2.1
127.03886	26.9
127.07530	6.5
129.05492	2.9
130.08640	2.6
131.07022	11.9
132.06520	11.2
135.04405	2.2
137.05956	84.9
138.05486	23.3
138.06401	2.9
139.03882	46.1
139.07516	2.4
140.04370	2.2
140.10808	2.2
141.09108	5.2
142.08606	23.8
145.04941	10.0
145.08601	4.4
147.04381	10.5
149.05878	2.0
151.03886	2.6
152.07057	2.3
153.01842	14.8
154.02185	3.8
155.07043	7.2
156.06543	8.0
156.10202	3.1
157.41985	1.8
159.10176	4.3
160.09654	10.7
163.03923	3.2
165.05473	10.4
166.08627	6.2
167.07057	3.1
169.04915	3.5
172.09654	4.3
173.08060	2.2
174.11240	6.7
177.05409	2.6
179.07008	2.4
181.04947	5.4
181.08688	2.3
183.06534	11.7
183.07954	2.4
184.09659	43.4
187.06003	3.3
198.07616	6.6
199.06018	6.6
202.10719	100.0
203.11310	4.0
207.06607	3.7
209.08031	3.0
211.09628	12.9
213.09277	1.8
214.10823	1.9
216.08611	4.5
217.07083	5.2
220.11771	26.9
224.56143	1.9
230.10223	14.3
234.09669	13.2
244.11867	5.1
247.80777	2.0
262.12827	24.0
272.13089	4.9
285.11230	2.2
289.12897	2.3
291.08597	27.8
303.12280	3.1
308.15207	5.4
310.12784	11.0
328.13852	84.1
329.13879	2.3
340.16055	2.0
346.14880	18.2
364.15933	43.4
453.00665	3.2
470.04178	2.6
470.17239	2.8
471.02350	2.9
471.10071	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	469.3669
Annotation	(19R,23E)-5beta,19-Epoxy-19-methoxycucurbita-6,23,25-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05502	16.0
57.07045	7.1
65.08964	3.0
67.05503	22.0
69.03379	3.2
69.07063	26.3
69.45493	16.7
69.45921	12.3
70.88365	3.3
71.08597	3.4
77.16070	3.3
79.05487	17.7
79.56960	3.1
81.07049	46.7
83.08600	10.8
85.06531	3.8
91.05460	17.6
93.07037	42.1
95.04957	5.7
95.08592	49.8
105.07007	32.0
107.08582	41.4
109.06496	13.8
109.10126	28.1
110.83501	3.1
111.08070	12.8
111.11688	3.3
117.06946	5.2
119.08568	46.4
121.06480	8.8
121.10126	35.9
123.08077	6.9
123.11703	27.0
125.05959	6.4
125.09601	7.5
131.08572	12.3
133.10100	38.3
135.08038	7.5
135.11670	45.3
137.09592	4.0
137.13206	6.0
139.07538	3.5
142.26488	2.9
143.08565	6.5
145.10086	22.3
147.08076	6.2
147.11676	33.7
149.09578	3.7
149.13242	11.3
151.11174	5.6
155.08440	4.0
157.10101	9.1
159.08028	8.3
159.11690	20.6
161.09584	12.8
161.13252	15.2
163.11104	5.1
163.14786	12.4
171.11667	5.8
173.09619	11.3
173.13272	14.6
175.14850	10.7
177.12689	4.8
177.16365	4.7
183.11629	5.1
185.13240	6.1
187.11089	6.1
187.14816	11.9
189.16331	49.5
189.17868	4.6
191.17984	6.9
197.13318	5.5
199.14893	5.9
201.12708	5.2
201.16353	12.1
203.17947	6.5
207.17418	58.5
211.14801	10.3
213.16397	5.2
217.15903	4.9
217.19476	9.5
225.16396	4.9
229.15842	45.9
231.13667	3.6
231.21013	5.9
232.68628	3.5
244.61113	3.6
247.16998	6.5
373.27258	11.2
433.34714	10.7
451.36017	74.9
452.35767	4.0
469.37207	100.0
470.37570	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	469.3668
Annotation	(19R,23E)-5beta,19-Epoxy-19-methoxycucurbita-6,23,25-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03944	1.7
55.05497	4.8
57.07060	4.8
63.88695	1.3
67.05496	10.1
69.07049	9.3
69.97683	8.2
79.05486	12.8
81.07042	49.5
81.07515	2.9
83.08608	4.8
85.01816	1.4
89.06001	1.6
91.05444	12.6
91.35479	1.5
93.07035	27.1
95.04960	3.2
95.08591	34.2
99.97511	1.5
105.07011	9.8
107.04967	1.8
107.08580	22.3
109.06504	15.9
109.10149	11.3
111.08056	4.3
117.07053	1.9
119.08556	29.3
121.06494	24.0
121.10118	19.8
123.08041	7.0
123.11713	11.2
125.05980	7.9
125.09608	7.6
129.06906	1.6
131.08548	7.7
133.10123	15.4
135.08067	5.0
135.11656	7.2
137.09625	2.6
139.07539	13.3
141.06956	3.3
143.08556	3.9
145.10088	16.8
146.07106	1.5
147.08047	6.0
147.11664	10.5
149.09573	3.3
151.07552	2.2
155.08508	2.8
157.10173	2.5
159.08026	8.7
159.11678	12.2
161.09584	8.2
161.13239	3.6
163.11211	1.8
163.14795	6.5
169.10104	10.4
171.11716	2.7
173.09605	13.7
173.13243	3.4
175.14845	2.4
181.10199	1.7
183.11687	4.5
184.59023	1.4
187.11165	7.1
187.14795	9.9
189.12782	2.1
189.16342	52.1
191.17981	3.8
195.11688	1.5
196.12500	3.6
199.14825	2.3
201.16280	8.5
203.17998	2.3
207.17430	6.0
211.14795	14.5
217.15865	1.6
219.17474	6.5
225.16338	2.5
229.15826	56.2
231.17499	1.7
247.16922	12.6
248.57494	1.5
308.15335	1.5
308.51828	1.4
347.25592	8.2
373.27393	1.5
399.28922	3.3
433.34827	6.0
451.35669	51.3
452.36090	2.9
469.36813	100.0
470.37085	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.367
Annotation	(19R,23E)-5beta,19-Epoxy-19-methoxycucurbita-6,23,25-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03940	2.6
54.98229	2.0
55.05501	6.9
57.07063	4.8
67.05508	9.2
69.03439	2.6
69.07064	11.6
69.27343	4.5
69.27750	19.4
77.73927	1.8
79.05482	11.7
81.07044	52.8
82.07407	3.1
82.40442	1.9
82.44344	2.0
83.08627	4.8
91.05476	11.6
93.07027	28.7
95.04976	4.2
95.08598	42.3
97.06518	4.7
97.10165	2.5
105.07020	21.5
107.04975	2.8
107.08574	26.4
109.01816	2.4
109.06512	22.5
109.10142	16.2
111.08070	9.8
117.07030	6.1
119.08556	37.0
119.09327	2.6
121.06499	10.2
121.10120	22.5
123.08084	8.7
123.11682	9.6
125.05987	9.1
125.09602	9.6
130.07806	3.4
131.08582	10.4
133.10101	21.0
135.08046	5.6
135.11676	9.9
137.09595	2.7
139.07526	9.4
143.08583	5.3
145.06577	2.6
145.10098	25.3
147.08063	7.0
147.11670	11.7
149.13275	4.1
151.07556	5.9
154.07689	2.1
155.08527	3.6
157.10150	5.7
159.08043	13.7
159.11644	13.2
161.09605	11.1
161.13303	5.6
163.11212	2.7
163.14813	8.1
169.10118	13.1
171.11662	4.2
172.08916	2.4
173.09599	22.3
173.10796	2.1
173.13283	3.9
174.14165	2.9
175.11133	3.1
181.10167	2.5
183.11575	3.9
185.13362	3.6
187.11168	13.1
187.14783	13.4
189.16344	63.8
191.17976	4.6
196.12535	4.8
201.12775	2.3
201.16348	16.9
201.48660	2.1
207.17365	11.0
211.14757	14.9
217.16144	2.2
219.17410	9.8
225.16267	2.1
229.15840	92.6
230.16290	2.5
247.16913	16.3
282.68060	2.1
373.27551	5.6
433.34732	6.7
451.35709	70.7
452.35941	3.5
469.36896	100.0
470.37469	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	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03933	2.6
55.01857	2.7
55.05507	20.0
57.07061	3.5
59.04977	2.6
61.88302	2.2
67.05499	22.9
69.03410	2.8
69.07062	22.8
70.18420	8.5
71.04987	3.9
74.19543	1.9
79.05475	20.3
81.03388	3.2
81.07048	51.8
83.04958	20.4
83.08610	19.5
91.05463	26.4
92.48395	1.9
93.07030	55.2
94.60807	2.1
95.04969	10.3
95.08590	67.5
97.06532	4.9
97.10116	4.8
98.21408	2.5
99.08043	4.2
103.05508	2.6
105.07020	76.2
107.08582	81.7
109.06529	13.6
109.10142	41.4
111.08064	6.7
117.06985	13.2
119.08567	100.0
121.06457	3.5
121.10127	63.9
123.08063	6.2
123.11685	25.0
125.05812	2.3
125.09593	11.6
129.06976	6.3
130.07724	2.5
131.08563	45.1
133.09103	3.7
133.10115	74.7
135.08006	3.8
135.11687	26.0
137.09595	3.4
137.13271	4.2
139.11133	3.1
142.07742	5.0
143.08539	26.8
144.09360	3.7
145.10109	60.6
145.11264	3.1
147.08035	4.6
147.11642	36.3
149.09589	6.1
149.13251	18.6
151.11136	11.4
153.09155	3.5
155.08563	3.3
157.10110	25.9
158.10902	4.9
159.08118	2.4
159.11668	51.8
161.09613	4.5
161.13234	24.0
163.07472	2.9
163.11142	5.4
163.14787	15.1
165.12730	2.4
168.50053	2.4
169.10123	9.7
170.10912	5.1
171.11708	21.1
172.12411	2.7
173.13229	35.4
175.11243	2.8
175.14812	33.9
177.09053	2.5
177.12753	3.2
177.16386	9.1
179.14323	3.5
183.11681	9.3
184.12474	4.8
185.13239	65.5
186.13893	2.3
187.11330	2.7
187.14807	46.2
187.16434	3.8
189.12679	3.1
189.16370	27.6
191.14268	18.2
191.17992	7.6
193.15924	3.2
195.11659	2.3
197.13255	7.9
199.14798	34.3
201.12901	2.5
201.16360	61.5
203.14299	26.9
203.17914	12.2
205.15855	30.4
207.17398	3.9
209.13274	3.8
211.14807	6.3
213.16336	31.0
215.14482	3.8
215.17964	11.5
217.15868	12.9
219.13983	2.9
219.17407	30.1
225.16374	6.7
227.17921	8.1
229.15837	5.3
231.13763	4.4
231.17462	9.0
233.15332	4.9
233.19057	5.4
235.16917	3.2
239.18004	7.6
241.19556	8.5
243.17540	7.2
245.15359	7.0
245.19080	2.8
247.17067	6.8
249.14798	28.3
251.16426	5.0
253.19521	7.8
255.21034	3.0
257.19098	3.2
259.17010	5.3
263.16235	3.5
265.19604	5.0
267.21124	8.2
281.22559	2.2
299.20145	3.9
316.09473	2.7
349.25153	3.7
387.30484	5.4
389.31992	3.4
393.31711	3.9
405.31473	46.0
407.32983	18.5
423.32565	46.5
433.31406	8.1
435.15604	2.7
451.32077	26.5
469.33182	74.7
470.33856	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	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05500	17.6
57.03426	2.9
57.07074	4.2
65.03970	2.1
67.05499	19.5
69.07062	24.6
69.56194	14.3
71.04993	5.0
71.08632	2.6
79.05483	18.1
81.07047	42.6
83.04942	3.1
83.08601	11.5
85.06538	3.4
91.05463	21.0
93.07035	41.7
95.04954	6.5
95.08596	61.5
96.83166	1.5
97.06541	3.4
97.10149	5.8
103.05448	2.3
105.07021	54.6
107.08582	61.5
109.06485	5.2
109.10145	37.3
111.08075	5.0
117.06998	8.8
119.04832	2.2
119.06118	2.3
119.08566	89.0
120.65672	1.9
121.06519	2.8
121.10123	53.8
123.08075	6.6
123.11685	16.5
125.05997	3.1
125.09640	4.9
128.06216	2.5
129.07002	6.0
131.08556	35.1
133.06445	2.5
133.09091	3.2
133.10112	62.4
135.08046	6.8
135.11670	24.6
137.09604	4.4
137.13278	4.5
139.07504	3.8
139.11208	2.4
142.07764	3.8
143.08540	14.9
144.09235	2.7
145.10100	57.5
147.08066	4.0
147.11671	34.2
149.09598	19.1
149.13257	21.1
151.07529	3.6
151.11214	2.6
153.09094	3.3
155.08539	6.2
155.10516	2.2
156.09357	2.9
157.10124	22.8
158.10861	3.0
159.08005	2.4
159.11664	37.4
161.09622	6.7
161.13240	32.8
163.11156	5.7
163.14801	39.6
165.09114	3.1
165.12694	3.1
165.16443	2.6
167.10674	3.0
169.10118	5.9
170.10822	3.1
171.11707	17.5
173.09529	1.7
173.13251	41.9
174.13985	2.1
175.11162	6.2
175.14807	36.9
177.09201	2.7
177.12755	3.2
177.16357	39.1
179.10661	3.4
179.14293	2.6
181.12251	4.1
183.11726	12.1
185.13263	17.9
185.14899	2.6
187.11182	2.6
187.14803	91.2
188.15108	2.5
189.12752	5.4
189.16364	67.4
191.10609	1.9
191.14285	5.3
191.17914	6.8
193.12180	5.4
193.15863	5.5
195.11717	2.7
197.13232	8.3
199.14803	17.9
201.12782	3.4
201.16371	46.0
201.18243	3.3
203.14293	4.0
203.17932	30.2
205.15901	6.9
207.13821	3.9
207.17458	2.2
209.13318	3.0
211.14809	8.5
213.16344	24.9
215.14484	4.0
215.17926	23.1
217.15884	7.9
217.19447	4.5
221.15349	4.0
223.14871	2.5
225.16362	3.8
227.17918	11.6
229.15974	3.7
229.19531	4.0
231.17387	9.3
233.15302	9.7
235.16885	10.5
239.17940	4.7
241.19498	9.6
243.20972	2.6
247.16977	12.2
249.18475	21.4
253.19530	5.7
255.21080	2.6
259.17017	4.3
261.18457	6.4
267.21170	4.9
275.20007	3.3
281.22501	3.6
293.22516	2.1
299.20099	2.9
309.25827	3.6
337.25122	2.8
353.24756	3.9
355.26218	8.4
369.27902	1.9
377.32175	5.5
381.27759	2.9
387.30322	3.2
405.27298	2.2
405.31540	22.6
407.33051	8.1
421.30984	2.8
423.32559	100.0
424.32932	4.3
425.33850	6.2
433.31024	8.5
439.32379	2.3
441.34216	2.4
451.27448	2.6
451.32129	26.8
469.33395	58.9
470.33307	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03921	2.6
55.05496	15.8
57.03424	2.0
57.07074	2.6
59.04959	2.4
65.52290	1.8
67.05494	20.9
69.03413	2.8
69.07064	18.4
70.81908	3.7
70.82275	3.0
71.52465	1.9
79.05481	17.0
81.07049	48.1
83.04969	24.9
83.08597	15.8
91.05467	27.9
93.07032	44.2
95.04952	10.7
95.08591	56.7
97.06506	4.2
97.10156	3.4
99.08083	3.5
103.05436	2.4
105.07015	59.9
107.08581	70.5
109.06503	7.4
109.10141	32.1
111.08057	6.7
115.05475	2.3
117.07000	8.9
119.08563	100.0
121.06483	2.5
121.10126	66.4
121.11007	3.3
123.08078	7.2
123.11701	23.1
125.09579	10.4
128.06206	3.5
129.06981	7.1
130.07722	2.6
131.08549	45.1
133.09090	3.5
133.10115	61.3
135.11665	18.2
137.09573	4.2
137.13266	3.6
142.07738	3.6
143.08534	20.0
144.09322	3.1
145.10098	58.8
147.07996	3.2
147.11667	29.1
149.09604	2.8
149.13249	15.2
151.07533	4.1
151.11176	12.1
153.09135	3.5
156.09302	4.4
157.10133	26.2
158.10899	5.1
159.11676	44.1
161.13246	25.4
163.07616	2.4
163.11148	4.1
163.14793	11.8
165.12773	2.4
169.10158	7.6
170.10905	3.1
171.11674	12.3
172.12479	3.0
173.13245	35.1
175.14798	32.7
177.12740	6.2
177.16302	9.5
179.10625	2.2
183.11667	12.9
185.11581	4.0
185.13240	70.1
187.14795	51.6
189.12695	2.3
189.16348	27.1
191.14322	16.2
191.17928	6.9
193.15823	3.0
195.11661	3.9
197.13269	10.6
199.14798	27.6
201.16345	64.5
203.14290	24.6
203.17891	11.6
205.15857	32.4
207.17351	3.2
209.13268	3.5
211.14751	9.8
213.16368	29.3
215.14326	2.2
215.17918	15.5
217.12277	1.8
217.15868	16.8
217.19395	2.1
219.17413	34.9
223.14940	3.1
223.17009	2.2
225.16403	5.1
227.17937	6.2
229.15843	4.2
229.19289	2.5
231.13724	4.7
231.17403	9.8
233.15382	9.0
233.19038	4.0
235.16911	2.7
239.17926	4.3
241.19424	8.6
243.17474	7.9
243.21060	2.9
245.15369	6.3
247.16983	9.5
249.14807	31.6
251.16203	3.3
253.19571	7.2
255.21159	5.4
259.16934	4.1
259.20554	2.1
263.16415	5.2
265.19586	2.1
267.21094	7.7
269.22479	3.2
275.16315	2.8
277.17853	1.8
281.22659	2.7
285.22031	2.2
319.22491	2.6
323.23499	2.6
349.25369	2.3
363.30261	2.0
387.30411	7.4
389.32172	4.4
393.32056	2.2
405.31491	51.5
407.33038	19.6
423.32474	51.9
433.31232	8.5
439.32162	5.3
441.33942	2.0
451.31992	32.9
451.96048	1.9
469.26581	4.4
469.33139	75.2
470.33591	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	469.3308
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03935	2.2
54.28858	1.7
55.01838	2.0
55.05496	22.0
56.49307	2.2
57.03415	2.5
57.07057	5.0
67.05496	22.6
69.03428	2.7
69.07051	15.2
70.13005	2.0
71.04947	2.9
72.97255	1.7
75.73989	1.9
77.28887	1.8
79.05471	21.7
81.03405	2.7
81.07046	56.1
81.28255	2.0
83.04972	27.3
83.08604	16.2
85.06522	2.3
91.05473	24.9
92.32619	2.0
93.07030	43.5
95.04949	10.8
95.08597	59.6
97.06507	4.5
97.10140	4.0
99.08081	11.6
105.07013	61.5
107.08575	77.0
109.06503	10.5
109.10136	39.3
111.04412	3.1
111.08056	6.1
112.07610	3.8
117.06987	14.9
119.08564	100.0
121.06472	2.5
121.09299	4.0
121.10133	57.4
123.04447	1.9
123.08040	7.3
123.11688	24.0
125.09600	7.1
128.06232	3.5
129.06990	5.8
130.07759	2.0
131.08549	43.9
133.10118	57.4
135.08032	5.0
135.11659	21.5
137.06039	2.1
137.09579	5.6
137.13248	4.3
139.11084	2.2
142.07722	6.5
143.08533	26.3
145.10101	67.2
145.11264	3.7
147.07967	2.7
147.11656	34.2
149.09615	4.1
149.13240	12.2
151.07565	3.2
151.11156	7.5
153.09004	2.2
154.07747	2.2
155.08557	5.7
156.09248	3.1
157.10095	26.3
158.10860	4.5
159.08041	3.1
159.11656	48.1
160.12059	2.2
161.09547	4.4
161.13246	25.8
163.07509	3.5
163.11121	5.7
163.14778	11.2
165.12715	5.3
169.10075	12.4
170.10913	4.2
171.11642	20.8
172.12430	3.5
173.09639	2.4
173.13242	36.2
175.14816	28.3
177.09038	4.0
177.12761	3.6
177.16344	8.4
181.10150	3.7
181.12183	2.4
182.10870	2.3
183.11610	10.5
184.12404	3.3
185.13228	39.1
187.14804	56.7
189.16353	22.0
191.14270	7.4
191.17896	4.2
193.15901	3.5
195.11655	2.8
196.12384	3.0
197.13240	11.9
199.14793	35.5
201.16331	45.8
203.14322	18.3
203.17960	7.2
205.15851	34.0
207.17479	3.0
209.13184	6.3
211.14793	11.3
213.16371	32.4
215.14333	4.2
215.17950	8.1
217.15913	13.3
219.13820	2.9
219.17378	27.6
223.14801	5.8
225.16313	4.4
227.17848	6.5
229.15909	4.1
229.19553	2.6
229.60716	2.2
231.17348	8.4
233.15300	9.8
239.17896	6.9
241.19438	10.3
243.17395	3.1
245.15305	9.2
247.16986	6.3
249.14738	10.9
253.19519	7.4
255.21153	4.6
257.19092	2.4
259.16846	5.0
267.20956	8.1
271.20422	3.2
281.22687	2.2
283.20523	6.4
289.25195	2.5
299.19919	3.5
333.25613	3.0
335.23572	2.5
343.59653	2.1
347.27060	2.5
351.26724	3.7
387.30362	6.3
389.32333	3.2
393.31921	2.8
403.29819	2.2
405.31439	53.9
407.33237	14.0
421.30484	3.4
423.32538	26.1
433.30798	19.3
439.31598	3.4
451.32108	34.2
452.32306	3.9
469.33353	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	469.3305
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
52.01503	0.4
55.01851	0.6
55.05504	4.3
57.07053	1.5
66.53795	0.4
67.05489	4.7
69.03389	1.0
69.07066	5.0
71.04956	1.9
71.08600	0.8
73.00889	0.5
79.05489	3.7
81.07050	8.9
83.04934	1.2
83.08599	3.1
85.06499	1.3
85.31818	0.5
88.59633	0.5
91.05458	2.9
93.07031	7.8
95.04928	1.3
95.08585	10.4
97.06491	1.4
99.04440	7.5
99.08070	2.3
101.02462	0.4
101.05993	0.8
105.07014	7.3
107.04861	0.7
107.08574	11.2
109.06477	1.6
109.09447	0.7
109.10138	8.4
110.10417	0.5
111.08031	1.8
117.06982	1.6
119.08562	14.7
121.06465	2.1
121.09299	1.0
121.10123	12.3
123.08020	2.0
123.11707	2.6
124.48225	0.5
125.05971	4.0
128.21155	0.4
131.08578	3.1
133.06458	0.8
133.10100	12.2
135.08038	2.6
135.11658	4.3
137.09596	1.4
139.07503	3.5
139.11127	1.2
142.07787	0.7
143.08519	2.3
144.09290	0.5
145.09026	0.7
145.10098	9.3
147.07993	1.5
147.11673	6.6
147.56891	0.5
149.09569	1.8
149.13231	2.2
151.11079	0.8
155.08501	1.2
156.09320	0.6
157.10132	3.2
158.10857	0.7
159.08011	2.2
159.11674	6.0
161.09573	4.9
161.13219	4.6
163.11095	1.0
163.14804	1.7
165.09097	1.5
167.08589	0.5
169.10100	1.9
170.10817	0.9
171.11693	4.2
173.09604	3.5
173.13200	3.6
175.11140	6.7
175.14748	3.5
177.09058	1.6
177.12726	0.6
183.11623	1.4
185.13190	1.8
187.11147	4.1
187.14809	5.4
189.12689	1.6
189.16336	4.6
191.10614	2.0
191.14407	0.5
197.13226	2.9
199.11171	0.9
199.14803	2.1
201.12675	1.2
201.16374	1.7
203.14235	1.6
203.17966	1.1
205.15816	3.7
207.17436	1.3
209.13162	0.8
211.11108	0.6
211.14769	1.9
213.12706	0.8
213.16417	1.3
215.14313	9.8
215.17715	0.8
217.12312	0.6
217.15816	3.3
219.17442	0.6
221.15341	2.8
223.14754	0.9
225.16385	0.9
227.14279	0.9
229.15842	36.2
230.16428	0.6
231.13783	1.8
231.17374	4.6
233.15346	13.1
235.16901	1.0
237.16386	0.6
243.17363	2.9
245.15430	0.9
247.16881	7.3
249.18582	0.6
255.17441	0.7
255.20930	0.6
257.18948	2.4
261.18515	0.8
271.20612	0.9
283.20557	3.2
295.20514	0.8
297.21985	0.8
299.20111	0.7
309.21780	0.7
311.23499	0.8
323.23584	1.0
335.23636	0.5
353.28455	0.5
369.24347	0.6
395.29370	0.7
405.31595	1.0
409.30942	0.7
415.29837	0.7
423.32172	1.2
433.30658	6.0
451.31912	26.9
452.32306	0.7
469.32919	100.0
470.33099	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.02380	1.7
53.03929	4.2
54.26765	1.8
55.05302	1.6
55.05509	16.6
57.07061	5.6
66.00485	1.7
67.05496	20.9
69.07060	17.7
69.52385	6.8
69.52813	9.1
71.04993	3.5
76.89994	1.6
79.05488	19.3
81.07049	47.0
83.04983	20.4
83.08602	13.7
85.02901	2.4
85.06506	2.8
88.49459	1.6
91.05463	25.8
93.07030	47.3
94.00127	1.9
95.04944	7.5
95.08591	61.8
97.06524	3.2
97.10138	6.1
99.08084	11.5
100.62360	1.8
103.05457	2.1
105.07024	60.1
106.07370	1.9
107.08580	73.0
109.06513	8.9
109.10136	31.5
111.08065	6.1
117.07005	10.2
119.08567	100.0
119.47541	1.8
121.06504	4.1
121.10128	58.5
122.18717	1.8
123.08038	7.7
123.11684	23.5
125.09599	8.3
128.02048	1.7
129.06984	9.1
130.07779	2.7
131.08543	43.5
133.06584	2.1
133.10114	59.6
135.08026	4.6
135.11673	22.4
137.09604	4.3
137.13231	5.3
142.07767	4.1
143.08534	25.4
144.09277	3.1
145.10101	54.5
147.08017	2.4
147.11665	30.9
149.09615	4.0
149.13203	14.7
150.50006	2.1
151.07570	2.2
151.11134	8.3
153.12726	1.7
155.08548	5.7
156.09305	4.6
157.10100	24.5
158.10907	4.0
159.11679	50.1
161.09657	3.6
161.13245	23.4
163.07521	2.7
163.11186	4.2
163.14767	14.5
165.12822	3.2
169.10100	7.3
170.10847	6.1
171.11676	26.2
172.12413	3.5
173.09589	2.4
173.13242	40.3
175.14787	35.3
177.09111	2.1
177.12698	3.8
177.16367	12.6
181.10118	3.1
183.11594	12.6
184.12447	2.9
185.13248	32.4
186.14011	2.6
187.14793	61.0
188.15120	2.1
189.12654	3.5
189.16347	19.4
191.14258	11.9
191.17938	6.0
193.15924	2.8
195.11671	4.6
197.13222	15.9
199.14813	47.8
201.16364	50.4
203.10867	2.1
203.14340	20.5
203.17873	4.9
205.15852	27.0
209.13248	5.6
211.14880	15.8
212.15199	2.2
213.16365	37.5
214.17088	1.9
215.14276	4.3
215.17873	10.3
217.15797	13.9
219.13904	2.6
219.17409	27.9
223.14798	2.5
225.16331	4.2
227.17815	7.1
229.15973	5.4
231.13734	3.5
231.17433	9.8
233.15227	11.7
233.18898	2.7
237.16432	2.5
239.17931	6.3
241.19556	8.9
243.21143	2.8
245.15320	10.4
245.19098	2.9
247.16707	3.6
249.14787	10.4
250.50777	2.1
251.17833	2.0
253.19450	5.5
255.20966	4.2
259.16891	5.7
265.19455	5.3
267.21002	11.3
281.22476	2.0
283.20529	5.3
299.20016	2.1
333.25763	2.4
335.23569	2.6
359.68323	2.1
387.30359	6.8
393.31708	2.3
405.31503	54.2
406.31512	4.2
407.33051	20.4
423.32520	24.1
433.30899	15.7
439.32242	2.6
451.32126	35.1
469.28482	22.0
469.33212	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
53.19518	2.5
55.01857	6.2
55.05503	38.8
57.03431	11.3
57.07069	16.1
57.07299	2.2
59.04969	2.8
61.02911	6.5
65.03961	3.0
67.05495	31.2
69.03420	32.5
69.07060	75.1
71.04990	12.9
71.08619	5.0
71.62637	2.9
72.04484	2.5
73.02906	5.3
79.05486	30.7
81.03410	15.5
81.06573	5.5
81.07047	100.0
83.04974	31.5
83.08611	30.0
85.02896	71.7
85.06542	9.4
88.27635	2.7
91.05471	29.5
93.07027	63.0
95.01332	5.5
95.04958	20.2
95.08593	91.6
97.02878	19.3
97.06513	22.5
97.09605	2.3
97.10125	13.8
99.04443	7.6
99.08080	9.2
103.05422	4.6
105.07017	63.9
107.04927	6.1
107.08584	77.8
109.02865	10.6
109.06490	14.9
109.10146	59.9
111.04425	4.0
111.08064	13.8
111.11714	11.2
112.07606	2.5
113.06006	2.8
113.09680	3.6
117.07007	10.0
119.08566	75.9
121.06521	7.6
121.10134	56.9
123.04464	6.8
123.08040	12.9
123.11693	32.6
125.05937	5.5
125.09634	9.1
125.13261	2.9
127.03869	18.9
127.11197	4.7
129.06970	5.7
131.08566	34.3
133.10124	45.9
135.08064	14.8
135.11670	33.6
136.07535	2.9
137.05960	9.6
137.09622	8.0
137.13257	6.6
139.11205	7.2
140.07071	7.3
141.09082	3.4
143.08557	18.7
145.04930	5.9
145.10101	46.6
147.04330	4.5
147.08058	4.9
147.11679	32.9
149.09621	11.7
149.13234	22.7
151.07391	2.9
151.11177	10.6
153.01752	5.8
153.09109	3.0
153.12740	4.6
155.07161	2.7
155.08514	6.1
157.10132	16.3
159.11664	35.4
161.09590	4.6
161.13257	24.3
163.03897	4.7
163.07579	2.8
163.11157	12.1
163.14787	10.5
164.07051	4.7
165.09108	4.9
165.12744	7.4
167.10648	5.3
167.89639	2.6
169.10095	6.1
170.10849	2.9
171.11684	10.7
173.13203	23.5
175.11168	6.3
175.14812	24.3
177.09148	3.2
177.12817	4.0
177.16374	10.4
179.07074	3.6
179.10574	3.7
183.11697	9.0
185.13240	16.6
187.14819	33.2
189.12706	3.5
189.16382	17.6
191.14337	9.3
191.17944	7.7
195.11699	3.1
197.13202	3.9
199.14801	18.6
201.12737	3.9
201.16347	21.7
203.14345	8.9
203.18053	5.4
205.15878	24.5
205.19661	3.9
209.13214	4.1
211.14867	4.7
213.16339	13.5
215.14343	4.2
215.18011	9.1
217.15898	11.8
219.17447	8.4
221.15279	4.4
223.14847	2.8
225.16408	3.8
225.46191	2.6
231.17468	7.3
239.17940	3.5
241.09216	2.8
241.19569	5.1
243.17407	4.2
245.15309	4.4
245.22601	3.8
249.14948	4.0
261.25705	3.7
265.19757	2.7
271.24225	13.6
277.25531	3.2
287.24112	2.7
289.25159	33.3
307.22925	3.6
307.26065	13.8
313.11856	3.0
329.38275	2.4
363.13397	3.1
405.31378	20.9
407.32867	5.3
409.13934	13.4
423.32532	18.5
433.30682	4.7
437.13150	10.0
438.20230	7.0
439.31943	4.5
451.32083	13.7
455.74063	2.9
469.16107	12.8
469.23911	6.1
469.33078	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84213	0.8
53.03940	4.3
55.01856	1.8
55.05488	3.7
55.05724	0.8
57.03430	4.2
59.04993	1.6
59.66259	0.8
61.02917	1.0
63.41085	0.8
67.05476	3.9
69.03419	11.4
69.07035	2.7
71.01313	1.2
71.04984	9.7
71.17283	2.1
73.02906	2.3
74.58790	0.7
79.05480	2.8
81.02972	1.4
81.03408	20.0
81.07038	5.6
83.04945	6.8
83.08598	1.1
85.02884	7.7
85.06503	3.0
86.09686	1.4
91.05462	2.1
93.07043	4.8
94.07390	1.0
95.04937	3.0
95.08578	3.8
97.02868	2.5
97.06557	1.5
99.04437	16.8
99.08076	2.0
100.11256	1.0
103.03903	4.9
105.07003	2.5
107.08567	3.6
108.08109	0.9
108.08878	1.0
109.02854	10.6
109.06486	1.0
109.10140	2.3
116.01652	1.2
117.05477	4.5
118.06493	1.7
119.08582	2.1
121.02847	3.7
121.10133	4.1
122.09641	2.3
122.10454	1.7
123.04418	2.0
123.08041	0.9
123.11668	1.6
124.07545	1.9
127.03881	11.1
127.07523	2.1
131.07001	1.7
133.10062	1.3
135.11707	2.0
136.07512	2.2
138.09108	2.4
139.03923	1.9
139.11166	1.6
140.04784	0.8
143.06979	0.9
145.04845	0.8
145.07555	3.9
145.08578	5.6
145.09570	0.9
145.10086	0.8
146.08321	2.4
147.09148	69.1
149.09579	1.1
149.13261	1.1
150.09065	4.4
152.07082	2.2
153.01802	1.8
155.07010	2.6
159.09152	4.7
159.11597	1.3
160.09906	2.4
161.10683	1.9
161.13237	1.4
164.07053	4.3
166.08572	3.2
167.07016	9.0
167.14268	1.3
173.07039	4.8
175.08643	7.7
181.04958	0.9
184.07321	2.5
184.09767	0.8
185.07664	1.3
185.10840	1.0
189.10208	6.1
191.08119	100.0
192.08498	2.1
199.12123	1.1
203.11838	1.3
204.08847	1.7
210.02348	0.9
215.11774	2.0
217.19395	1.1
219.11227	2.2
229.13286	0.8
233.09213	1.0
235.20525	1.3
245.09009	1.0
245.12762	5.4
253.21609	2.5
263.13867	12.9
271.10727	1.9
271.22598	1.8
281.14926	13.5
282.76059	1.0
289.11719	6.1
289.14957	1.9
305.14917	5.1
307.12894	25.7
307.16467	2.9
309.41013	0.9
323.15793	2.7
325.13916	31.2
331.12726	4.9
345.18002	5.5
347.15875	1.1
349.14023	4.2
363.19113	8.7
365.16974	7.6
371.15924	1.8
389.17004	12.2
397.13828	2.6
407.18021	17.8
415.14709	6.0
425.13290	0.8
425.18967	20.6
425.24268	1.2
433.15927	7.9
434.16266	0.9
451.16974	16.5
469.03949	1.9
469.17969	53.7
469.33612	3.4
470.18054	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.01866	2.9
55.05479	0.7
56.62465	0.3
57.03428	2.1
61.02916	0.5
67.05506	0.5
69.03423	10.5
69.07056	0.5
69.53729	3.1
71.01315	0.4
71.04981	7.2
73.02911	0.7
79.05474	0.8
81.03408	8.2
81.07045	1.2
83.04952	1.6
85.02898	0.9
85.06512	0.5
87.04462	0.5
91.05465	1.1
93.07015	1.1
95.04941	1.1
95.08585	0.9
97.02860	0.6
98.21510	0.7
99.04435	5.1
99.08091	0.6
103.03908	0.6
103.05421	0.4
105.07008	0.8
106.59689	0.4
107.04922	0.4
107.08533	0.5
109.02866	3.2
109.10136	0.7
110.05955	0.4
117.05476	2.5
118.06522	2.5
121.10121	0.7
123.04401	1.7
127.03880	1.0
131.04900	0.7
131.07030	0.7
133.06444	0.4
136.07513	0.4
137.05954	1.6
140.04671	0.5
145.06503	0.6
145.07553	4.2
145.08534	0.6
147.04410	2.1
147.08017	0.4
147.09120	4.1
151.03914	0.4
151.07573	0.5
155.07028	1.1
157.06493	0.4
161.05943	1.3
163.07498	0.6
163.08681	0.6
167.07016	1.5
167.87595	0.3
171.04382	0.4
173.05663	0.8
173.07088	10.5
175.07503	0.7
175.08702	3.9
177.05443	0.6
178.06215	1.0
179.00137	0.5
179.06972	0.7
181.04907	0.8
182.09308	0.4
183.06511	1.7
191.08130	100.0
192.08383	1.4
193.08627	2.2
211.09639	0.5
213.10205	0.6
225.07500	0.6
233.09190	0.7
253.21672	0.6
266.89377	0.4
267.12308	0.6
271.10754	0.6
271.22635	1.1
285.13553	0.5
289.11829	4.3
289.14819	0.6
307.12839	67.2
308.13080	2.0
325.13910	18.7
326.14005	0.5
389.17154	0.5
397.13840	0.8
407.18015	1.4
409.16025	1.2
415.14813	1.1
433.16092	5.9
451.17023	1.7
469.17789	0.5
469.24420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25396	0.4
53.03934	3.5
53.98980	0.4
55.01849	1.6
55.05500	0.8
57.03414	1.5
60.08150	0.6
61.02925	0.7
64.66783	0.4
69.03072	0.6
69.03421	8.8
69.40309	5.1
71.04986	6.5
73.02879	0.5
79.05482	0.6
81.03406	22.9
81.07031	0.8
83.04971	3.8
83.52691	0.5
85.02897	1.7
93.07013	1.1
97.06534	0.7
98.21453	0.8
99.03821	0.8
99.04444	10.5
103.03915	1.8
104.10735	1.1
105.11037	0.5
109.02863	9.7
117.05470	2.2
118.06517	1.9
121.06490	0.7
127.03893	3.3
131.07085	0.5
145.07587	2.8
145.08549	0.9
147.09151	7.6
147.11591	0.6
162.07849	0.7
165.12634	0.8
173.07060	7.9
175.08652	9.5
175.11159	0.8
184.07307	1.6
190.07399	0.7
191.08125	100.0
192.08403	1.5
203.08092	0.9
204.09036	0.5
205.09772	0.6
213.10168	1.2
217.12198	0.5
218.12563	0.9
231.11269	1.1
233.09303	0.6
235.13255	1.2
236.13620	2.0
240.75230	0.6
253.14290	0.9
254.14618	2.5
271.10764	2.7
289.11813	7.3
307.12830	31.2
308.12912	0.6
325.13873	28.4
326.14291	1.0
331.12839	6.5
349.13892	7.3
371.15878	1.8
389.17105	3.6
391.15039	1.0
397.13788	4.2
407.17984	1.3
415.14948	11.0
433.15976	12.9
451.17072	12.7
469.23764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1336
Annotation	Glochidionolactone D
Peak:m/z	Relative Intensity
51.02375	0.5
53.03914	0.5
54.08957	0.4
55.01852	1.4
55.05497	0.9
57.03421	1.8
59.04967	1.3
61.02919	0.6
61.28152	0.4
65.03990	0.5
67.05474	1.4
69.03413	4.3
69.07054	0.7
69.47647	2.7
69.48074	1.2
70.06574	1.1
70.08011	0.4
71.04984	1.5
73.02905	0.9
73.06538	0.6
79.01849	4.1
79.05472	1.0
81.03410	4.7
81.07046	1.7
83.04957	1.2
83.08665	0.5
85.02895	8.1
87.04462	0.7
91.05484	2.6
93.07023	1.2
95.04947	1.8
95.08598	3.9
97.02872	4.7
97.06535	1.0
98.06061	0.5
99.04443	0.8
99.08055	0.6
103.03931	3.3
103.05425	0.9
105.07029	2.1
107.01294	1.2
107.08598	1.3
109.02869	3.9
109.06555	0.7
109.10148	0.5
111.04449	0.9
112.07546	0.9
115.07539	0.6
117.07001	0.8
119.04936	2.4
119.08555	0.7
121.06468	0.8
121.10139	1.0
122.88007	0.4
123.04428	3.1
123.08034	2.3
124.07610	1.0
125.02361	2.9
125.09638	0.5
127.03898	5.1
127.11168	0.9
128.06210	1.8
129.05508	0.5
129.06985	2.8
131.04906	1.6
131.07024	1.0
133.06468	1.4
133.10107	1.1
135.04414	1.0
135.50060	0.4
136.07623	0.4
137.05946	7.2
137.09592	0.8
138.05440	0.4
139.03958	0.4
140.07019	0.8
141.05482	0.7
141.09087	2.2
143.03387	6.9
143.04871	0.9
143.06990	1.2
143.08522	0.9
145.04912	0.6
145.06503	1.1
147.04405	4.5
147.08002	0.8
149.05983	3.0
149.09628	1.0
151.03902	0.7
151.07547	2.8
153.01811	100.0
153.02791	3.8
153.06918	1.2
154.02170	2.0
154.04948	0.5
154.08583	0.6
154.96515	0.5
155.02318	1.2
155.07051	0.8
155.08463	0.6
157.06509	2.6
159.07988	0.5
161.05977	4.8
163.03891	1.1
163.08607	0.5
165.05463	10.8
165.06909	0.8
167.03407	0.7
167.06978	0.6
167.10587	0.6
169.06508	0.6
171.02936	4.5
171.08034	1.3
173.05931	1.0
174.06685	0.8
175.07492	5.0
177.05455	1.2
178.08553	2.2
179.03343	0.6
179.07028	5.1
181.05066	0.8
181.06522	1.1
183.06497	0.9
184.07416	0.7
185.06056	2.1
187.07460	1.1
188.07103	0.5
189.05466	1.9
189.08981	0.7
191.06970	1.6
195.02835	1.4
195.06546	0.8
199.07497	2.6
201.05418	0.6
202.08659	0.6
203.06981	6.8
205.08615	0.9
209.06020	0.8
213.03908	2.7
215.07024	0.5
217.08595	3.4
219.06450	0.9
221.08020	4.1
227.07034	1.9
228.08867	0.5
233.08102	2.1
235.16911	1.2
237.03883	0.9
241.09727	0.7
245.08067	12.0
247.10751	1.0
251.09117	1.1
253.17937	0.8
255.04951	4.2
259.10681	1.1
262.10803	0.5
263.09109	9.5
271.10553	0.6
271.14255	0.5
271.19061	1.5
277.11887	0.8
281.10159	1.7
289.11682	1.6
289.15103	1.0
297.06033	1.9
307.12866	15.0
313.07132	0.9
315.07010	4.3
349.13818	1.1
399.95526	0.5
433.11041	2.0
433.16293	1.8
451.11591	0.7
451.17120	2.2
469.17999	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23726	0.5
55.44190	0.4
56.96575	0.6
62.06076	0.7
69.03412	1.1
69.58743	4.2
70.06587	0.5
70.31088	0.5
70.58736	0.4
71.33057	0.5
73.02895	0.7
81.03409	0.7
84.04498	0.6
84.08131	1.3
85.02882	2.2
97.02868	0.8
101.00848	1.0
119.01913	2.2
126.70228	0.5
127.03889	1.2
131.01886	1.3
133.03445	1.0
137.02954	0.5
139.03809	0.5
143.01880	1.9
144.02069	0.5
145.03441	1.7
145.05000	0.5
147.01326	0.5
147.04982	0.8
153.01845	0.9
155.01878	1.5
157.03409	0.8
161.02861	2.5
163.02696	0.4
169.03474	0.6
171.05075	0.9
173.02922	3.2
173.06599	1.8
175.04507	1.2
175.67175	0.5
185.02965	2.1
187.04507	2.1
189.05998	0.6
191.07649	1.8
197.02931	1.2
199.04454	0.8
201.06140	0.8
203.03981	1.4
205.05647	0.8
215.04077	0.7
215.07578	0.6
217.05527	0.8
219.07138	0.7
221.04913	1.1
227.04004	0.6
229.05498	0.7
231.07153	0.8
233.08769	1.0
237.02704	0.6
245.05022	5.5
245.08743	1.1
259.06772	0.6
263.06134	1.2
273.98032	0.6
275.06128	0.8
305.07150	1.1
307.08777	1.0
307.12814	0.6
321.10248	5.0
322.10303	0.5
323.10165	1.8
332.35776	0.6
335.11877	5.1
339.11685	0.6
408.84775	0.5
469.13141	100.0
470.13318	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.3
62.65679	0.2
69.03390	0.8
71.07800	0.6
72.08111	0.3
79.05482	0.4
81.03375	1.1
84.04494	2.0
84.08132	5.9
85.02868	0.6
87.04405	0.3
95.04947	0.4
97.02858	0.6
105.03338	0.3
109.02845	2.4
117.03352	0.6
118.04116	0.3
123.04408	1.8
127.03873	0.7
133.02808	1.1
135.04349	0.7
137.02309	1.6
139.03835	1.0
145.02797	0.5
146.03618	0.8
147.04376	0.7
149.02277	0.4
151.03831	0.7
153.01799	3.2
153.06836	0.3
154.02098	0.6
155.03348	2.1
163.03896	3.4
164.04501	0.4
165.01866	1.3
165.05542	0.3
165.06931	1.1
167.03329	0.6
169.06462	0.4
173.02304	0.7
174.03181	1.6
177.01788	0.3
179.03360	0.7
181.06432	0.9
187.03876	1.0
189.01816	0.3
191.03374	2.5
192.04123	1.6
193.01311	1.9
193.06398	1.3
195.02867	12.0
201.01738	1.5
202.02553	2.7
203.03337	0.4
205.06461	0.9
207.02776	0.4
207.19188	0.3
209.05919	1.2
213.05466	0.5
215.03307	0.8
217.01277	0.3
219.02803	4.0
219.04544	0.4
220.03641	2.2
221.05962	3.3
227.07011	0.7
229.01297	1.2
230.02078	3.7
231.02747	1.5
233.05963	0.6
237.05441	2.4
239.07050	0.5
241.04846	0.5
245.00816	0.5
247.02240	3.0
248.03032	1.6
249.05489	3.2
251.03401	0.4
252.98004	0.6
253.05017	0.4
255.06506	0.9
257.00735	0.7
258.01535	1.3
259.01978	1.6
261.05438	1.0
265.04901	4.5
266.05502	0.4
267.06503	0.7
269.04309	0.6
275.01736	8.2
276.02606	37.2
277.02997	7.5
281.04416	0.7
283.06110	2.1
287.03537	0.5
289.04947	0.6
289.11914	0.3
293.04407	4.7
295.05899	1.6
297.03723	0.4
303.02762	0.6
305.04401	4.3
307.12830	0.4
309.03894	0.4
311.02225	0.5
311.05472	4.4
313.03323	0.4
315.02829	0.4
321.03903	6.5
322.04495	0.6
323.05518	1.5
325.03619	0.5
330.98682	0.3
331.02188	0.6
333.03900	4.8
337.03369	1.2
339.01208	0.5
339.04935	4.2
349.03357	5.5
350.03860	0.4
351.04886	2.0
359.02194	0.3
361.03409	5.6
365.02972	1.2
367.04504	4.8
377.02896	4.7
378.03424	0.6
379.04437	2.8
381.02463	0.5
383.03992	0.6
387.00763	0.3
387.21179	0.8
389.02893	5.9
394.02945	0.3
394.99042	0.6
395.03964	10.3
396.04553	0.4
404.01636	0.4
405.02344	6.4
405.22354	0.8
406.03079	0.5
407.04089	2.4
409.02081	0.5
413.04807	0.3
422.02844	0.4
423.03528	8.7
425.01352	0.3
433.01846	2.4
441.04327	0.5
451.02924	14.5
451.21091	0.6
452.03137	0.4
469.03976	100.0
470.04355	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	468.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.3
55.01849	4.5
55.05494	5.8
57.03413	3.9
67.05498	11.5
69.03416	13.2
69.07046	7.5
70.06567	3.1
71.04977	24.8
72.04488	8.3
74.06051	3.5
75.92177	2.5
77.21980	2.7
79.05463	10.8
80.33329	2.5
81.03406	21.8
81.07050	21.9
83.04951	4.2
85.02894	10.9
85.06518	10.3
86.09676	4.7
88.44736	2.2
91.05460	7.3
93.07027	31.8
95.04944	6.7
95.08580	15.7
97.02862	7.9
97.06513	10.9
97.88372	2.1
98.20691	5.5
99.04430	14.5
105.07008	24.0
106.07342	2.3
107.04935	3.3
107.08572	46.4
109.02863	35.5
109.06490	8.9
109.10108	6.6
111.04466	2.9
111.08069	4.0
113.05979	7.5
117.06956	3.2
119.08577	12.3
121.06538	14.4
121.10135	39.6
122.06029	4.0
123.08034	7.0
127.03888	25.6
127.07554	7.5
127.11156	3.7
129.87466	2.7
131.07002	6.0
131.08562	4.2
135.08003	8.0
135.11652	12.5
137.05934	2.5
137.09573	9.8
139.03847	5.0
139.11195	4.7
140.07014	9.0
145.08556	37.7
145.10095	28.5
147.11613	7.4
149.05956	2.3
149.09586	16.5
151.07510	7.8
152.06970	3.1
152.42371	2.5
153.01819	11.8
153.09059	2.3
154.02069	2.3
155.10622	2.8
158.08109	8.7
161.09529	3.6
163.03870	3.7
163.11140	62.8
165.09065	3.3
167.07002	3.7
167.10645	30.9
169.07240	4.1
169.08572	39.7
173.09567	7.1
179.03427	3.0
181.12222	15.0
183.10193	3.7
184.07317	7.9
185.11714	7.6
191.09067	8.6
191.10643	34.6
201.11276	3.5
209.11693	45.4
227.12749	100.0
229.31042	2.7
235.13287	2.5
235.16946	4.9
245.13795	4.1
269.13788	16.7
271.19052	18.1
289.14270	3.8
307.15341	2.6
309.13257	6.7
317.13812	4.5
335.14554	10.6
353.15927	36.3
371.16916	31.1
389.17987	7.9
397.18622	2.5
469.04062	3.8
469.13235	2.7
487.91187	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	468.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01865	2.5
55.05504	3.6
56.05018	1.3
57.03426	2.4
58.06599	1.3
60.08152	17.1
61.02910	1.6
67.05490	5.4
68.75400	0.9
69.03421	12.7
69.07065	6.4
70.06599	1.2
70.29368	5.1
71.04983	6.8
71.07368	4.2
75.06298	1.0
76.33192	1.0
79.05479	8.6
81.03410	21.3
81.07046	19.2
83.04971	6.9
83.08622	3.1
85.02898	12.3
85.06528	2.8
86.03235	2.7
86.09695	48.5
91.05470	5.6
93.07028	18.7
95.04960	6.5
95.08597	9.3
97.02865	7.3
97.06525	12.5
98.20754	1.2
98.98466	3.3
99.04446	12.2
103.03929	1.5
104.10730	100.0
105.07018	12.1
107.04931	2.8
107.08584	12.5
109.02861	12.4
109.06508	11.3
109.10152	3.6
111.08067	5.6
113.05950	2.5
118.06530	1.1
119.08578	8.8
121.02807	1.0
121.06487	30.1
121.10127	3.9
123.08059	2.8
123.11713	3.4
124.99986	28.0
125.05965	6.0
127.03900	11.8
127.07542	6.0
129.06987	2.6
131.08556	2.0
133.06494	1.7
133.10098	7.3
135.04410	2.3
135.08037	5.8
137.02325	1.3
137.05956	2.5
137.09625	2.2
139.07530	6.8
141.05466	1.5
142.07738	1.1
143.07036	6.9
143.08540	1.9
145.04929	3.2
145.07558	2.2
145.10156	2.4
147.08052	2.5
147.09181	4.5
147.11656	21.0
149.09608	1.3
149.13232	2.0
151.07553	1.9
151.11244	1.4
153.01852	3.6
153.09074	1.3
154.02168	1.9
157.08601	4.9
157.10130	6.4
157.12219	1.5
161.05951	1.3
161.13245	4.5
165.09093	1.5
165.12672	6.7
169.12234	5.4
171.10329	1.9
171.11647	7.2
173.07117	6.1
173.09648	1.3
175.08682	4.3
175.11140	14.4
181.10164	1.5
184.07320	98.0
187.05986	2.7
189.12724	8.9
191.08133	55.5
192.72968	1.0
193.12215	13.0
199.11127	12.7
205.07082	2.8
207.13812	6.5
211.13292	13.6
217.12202	37.6
229.14365	4.4
230.05302	1.9
232.05643	1.5
235.13251	43.3
253.14322	68.0
254.14659	1.1
260.05493	1.1
266.05859	1.2
271.10806	1.9
271.15384	13.4
289.11844	3.1
289.16412	9.9
303.04977	5.7
304.05316	20.7
305.05542	17.1
306.05783	32.6
307.12817	21.4
311.11108	1.1
313.16522	1.3
325.13867	15.1
331.12796	3.5
349.13815	5.5
361.16589	1.5
379.17557	4.5
389.17090	2.8
397.13806	2.6
397.18649	6.4
415.14926	7.0
415.19778	3.7
433.15927	6.3
433.21042	2.0
450.22388	7.8
451.17038	9.5
468.23553	53.4
469.23859	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.4
57.03429	0.3
58.06606	0.6
60.08154	5.9
69.03423	0.4
69.66154	0.7
69.66570	0.9
71.04976	0.4
71.07355	2.8
79.05463	0.5
81.03400	0.9
81.07049	0.5
84.75244	0.2
85.02894	0.9
86.09695	29.1
91.05480	0.4
93.07034	0.6
95.04996	0.3
95.08583	0.4
97.06505	0.3
98.98444	2.3
104.10120	0.3
104.10734	3.7
105.07020	0.3
107.08585	0.3
108.01175	0.2
109.02884	0.3
111.67049	0.2
121.10169	0.4
124.99986	19.9
131.07092	0.3
131.08583	0.2
139.11154	0.3
143.01082	0.4
145.08522	0.2
147.09225	0.3
149.09651	0.2
153.01785	0.4
154.96336	0.2
157.12189	0.3
163.21078	0.2
175.11020	0.2
184.07314	100.0
185.07648	0.5
449.12436	0.2
450.22748	1.1
468.23511	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	468.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92535	2.3
53.03934	5.7
55.01846	8.6
55.05502	4.8
55.29744	2.6
56.05019	2.9
57.03427	5.5
61.02911	3.0
62.20020	2.5
67.05491	12.4
69.03421	18.1
69.07065	14.1
70.06567	5.4
71.04985	27.7
71.62163	3.9
72.04488	9.6
74.06049	5.3
79.05487	11.4
81.03407	30.4
81.07042	28.3
83.04939	6.0
83.08620	3.0
85.02885	10.4
85.06533	13.3
86.09677	7.9
87.04469	3.1
91.05458	9.5
93.07026	36.3
94.06541	2.9
95.04945	9.8
95.08588	20.9
97.02875	8.7
97.06526	14.1
98.06030	2.3
99.04428	17.7
104.10707	7.6
105.07012	34.3
107.02138	2.6
107.08565	51.9
109.02856	34.2
109.06488	7.9
109.10149	8.8
111.04398	4.6
111.08051	9.5
113.05967	7.8
119.08582	14.8
121.02853	3.7
121.06487	16.2
121.10112	37.9
122.10445	3.1
123.04399	7.1
123.08033	6.8
124.99973	3.5
127.03891	32.9
127.07545	7.1
130.06482	4.7
131.07011	5.2
131.08539	3.1
133.10114	5.9
135.08014	7.4
135.11667	15.1
137.05975	10.5
137.09550	17.7
139.03889	6.7
139.07584	4.0
139.11244	3.8
140.07011	4.2
145.08580	30.6
145.10085	24.8
147.04355	2.8
147.08015	3.1
147.11635	5.8
149.05974	3.6
149.09592	19.3
151.07523	6.8
153.01779	11.9
154.02158	6.1
155.07054	3.4
155.10760	3.7
158.08066	4.1
161.09593	4.4
163.03882	3.0
163.11153	70.7
165.09065	4.9
166.08620	3.4
167.06982	4.8
167.10631	28.9
169.08597	47.7
173.09506	4.8
179.03430	4.9
181.04930	3.0
181.12207	18.6
184.07288	13.3
185.11679	7.0
191.09117	5.0
191.10622	34.5
209.11659	46.8
227.12727	100.0
245.13757	8.4
269.13727	8.3
271.19034	15.1
289.14255	6.0
299.09009	5.1
299.12485	3.2
309.13156	6.1
317.13828	3.1
327.13638	2.7
335.14551	11.1
353.15848	42.6
356.17819	2.7
371.17038	31.3
389.17856	5.8
428.68964	2.8
434.89569	2.7
436.68820	2.6
468.23660	3.5
469.03683	3.8
469.13135	5.6
478.21951	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	467.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31919	1.2
55.05501	12.0
57.03394	1.1
57.07064	28.0
59.04979	3.2
63.84393	0.8
65.03919	1.1
65.81681	1.1
67.05491	72.5
69.07050	9.0
69.40437	9.6
71.04958	1.5
71.08620	17.9
79.05460	1.9
81.07036	22.1
83.08611	12.7
85.06527	2.1
85.10170	9.9
91.05471	5.4
93.07018	3.6
95.08588	18.1
95.13726	0.9
97.10163	5.1
98.21515	1.6
105.06983	1.8
107.08561	2.8
109.10134	59.7
110.10486	1.4
111.04403	1.1
111.11650	0.9
112.87421	0.8
119.08543	4.3
121.10115	2.1
123.08021	1.4
123.11680	3.9
133.10156	2.0
135.11688	1.1
137.05943	2.7
137.09599	2.3
137.13289	1.6
143.08415	0.9
147.11671	1.0
151.11102	0.9
155.10625	2.6
157.10075	1.4
159.11598	1.1
173.11711	21.0
173.13104	1.4
239.23639	6.4
241.63983	1.2
268.48380	1.0
389.28879	1.0
454.01917	1.0
467.37286	100.0
468.37762	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	468.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77695	0.3
53.03929	0.6
55.01866	0.7
57.03419	0.8
63.29928	0.3
63.86686	0.4
69.03419	3.1
70.06570	1.1
71.04973	0.9
71.36704	0.7
73.02905	0.5
79.01839	1.4
81.03408	5.2
83.04956	0.8
84.08115	0.5
85.02895	3.5
97.02891	4.0
99.04433	1.1
101.06002	1.6
102.98014	0.3
107.01315	0.9
108.75991	0.4
109.02871	5.4
112.07578	1.1
115.03978	0.4
125.02346	3.4
127.03902	8.7
131.07025	0.6
135.04358	0.5
139.03886	0.9
140.07042	0.6
143.03377	4.1
145.04926	0.8
153.01810	100.0
154.02139	3.1
166.01184	0.4
167.07059	0.8
171.02867	14.4
188.03844	0.4
193.36252	0.4
268.78357	0.3
276.02707	0.4
279.04916	1.1
288.92902	0.3
297.06018	8.6
311.60016	0.3
315.07056	30.0
316.07596	0.6
319.18137	0.4
360.63162	0.4
468.19693	0.7
469.03864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01860	4.6
55.05505	18.4
57.03421	3.9
57.07065	22.7
60.18558	1.4
67.05206	1.4
67.05495	13.6
69.07060	35.1
70.29925	5.7
71.04959	1.7
71.08624	13.6
77.33405	1.3
79.05458	5.1
81.03403	1.6
81.07042	16.1
81.29245	1.2
83.04975	1.5
83.08607	24.1
85.02895	2.8
85.06515	1.4
85.10189	6.8
88.99423	1.4
91.05458	4.3
93.07039	7.2
95.04948	3.2
95.08591	20.1
97.02876	2.2
97.06539	2.5
97.10158	12.9
98.98460	9.7
99.08085	1.7
105.07015	5.8
107.08579	7.8
109.06517	2.6
109.10148	14.2
111.08034	2.6
111.11698	7.6
113.02339	3.0
119.08562	7.0
121.06448	1.7
121.10080	6.2
123.08044	2.8
123.11688	4.9
125.02336	100.0
125.05932	2.2
125.09606	2.0
125.13233	3.3
131.08524	4.1
133.10060	4.2
135.08017	3.1
135.11659	2.1
137.02283	1.6
137.09593	3.5
137.13217	2.1
139.03891	10.8
139.07462	1.4
143.03331	2.0
143.08521	1.5
145.10101	5.0
147.11629	4.0
149.02341	8.9
149.13228	2.4
153.01828	1.8
153.05457	3.4
155.01022	12.6
157.10117	2.0
159.11659	3.2
161.13229	2.7
163.07518	2.0
163.11174	3.3
165.09065	1.5
167.03365	18.6
167.06938	6.3
171.11588	2.1
173.04416	5.8
173.13182	1.5
175.14848	1.9
177.09094	1.7
181.04971	1.9
181.08611	7.8
185.04422	84.3
185.13255	1.5
187.14806	1.8
189.16316	2.3
193.08583	1.7
195.10193	4.9
199.05960	6.6
199.14752	2.3
201.16289	1.9
203.10446	1.3
205.15921	1.4
207.10083	2.4
209.08081	2.9
209.11745	2.5
213.07541	2.5
223.13306	1.5
226.07187	3.0
227.09096	6.6
233.15390	1.8
237.14871	1.5
239.23692	1.7
241.10686	11.9
253.10695	2.3
255.12216	5.4
267.12186	3.2
269.13782	3.5
281.13965	2.3
283.15363	3.8
295.15335	2.8
297.16980	7.0
309.17032	3.0
311.18542	11.3
313.27353	22.4
323.18518	4.5
325.20245	6.5
334.66431	1.5
337.20038	4.0
339.21548	4.5
351.21591	2.4
353.23309	5.0
365.23087	3.6
367.24661	4.9
379.24847	2.4
393.26208	4.1
431.31577	2.2
449.26950	2.7
449.32574	51.3
450.32339	1.6
467.33023	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	467.3146
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03927	2.9
53.51847	2.2
55.01852	3.0
55.05505	16.3
55.05738	2.4
56.34129	2.0
57.07058	3.2
66.36278	2.5
67.05175	2.4
67.05502	30.4
69.03429	4.2
69.07053	21.4
71.04989	3.4
71.62511	4.4
72.65039	2.3
77.03905	3.3
79.05473	21.2
81.03379	2.6
81.06577	2.9
81.07047	47.7
82.07398	3.0
82.29327	2.3
83.04967	4.2
83.08612	11.4
85.02893	3.1
85.06535	3.1
91.05462	22.5
93.07026	42.1
95.04951	10.1
95.08589	69.6
97.06503	7.8
97.10134	5.5
99.08079	8.2
105.07011	50.2
107.08576	61.1
108.87732	2.3
109.06484	8.4
109.10133	36.1
111.04419	3.2
111.08076	8.4
111.11768	2.5
117.06986	7.5
119.08560	90.2
121.06463	7.8
121.10126	42.5
123.08057	12.4
123.11672	11.7
125.05953	4.0
125.09587	7.2
129.06967	8.0
131.08548	44.4
133.10107	45.8
135.08035	6.3
135.11650	27.8
136.46431	2.3
137.09572	3.7
137.13226	5.4
139.07289	2.4
143.08543	18.3
145.10101	70.4
147.08063	5.7
147.11659	34.8
149.09596	3.5
149.13216	12.8
151.11115	4.2
153.01814	18.5
153.09061	2.9
155.08527	8.9
156.09286	3.3
157.10097	31.0
158.10835	4.3
159.08035	6.5
159.11668	42.4
160.12085	2.6
161.09598	8.2
161.13242	20.5
163.07544	8.2
163.11143	5.9
163.14781	12.1
169.10083	12.2
170.10841	5.2
171.11652	24.0
172.12338	2.4
173.09628	5.8
173.13254	42.6
175.11198	6.5
175.14799	33.4
177.09126	3.9
177.12727	5.0
177.16359	9.4
182.10901	2.8
183.11697	13.8
185.09509	3.3
185.13190	22.3
187.14793	49.4
188.08340	2.3
189.12695	5.3
189.16315	16.6
191.14293	9.1
191.17818	3.3
193.12178	4.1
195.11679	4.9
197.13205	10.4
199.14798	32.3
201.12726	9.9
201.16356	45.2
203.14272	13.9
203.17937	4.1
205.12177	2.8
205.15854	5.6
209.13237	6.0
211.14777	8.6
213.12747	2.8
213.16325	12.3
215.14319	8.8
215.17917	5.9
217.15781	5.8
219.13773	13.1
219.17215	3.6
221.15338	15.4
223.14864	4.9
224.15318	2.3
225.16354	9.3
227.17889	8.1
229.15775	6.3
231.13664	4.1
231.17374	3.4
233.13181	2.5
233.15388	9.4
235.16916	7.0
237.16426	3.4
239.17897	7.2
241.19550	3.8
243.21005	2.9
245.15343	9.2
247.16914	8.1
251.17924	3.0
253.19377	3.7
255.21167	3.2
259.16867	5.2
267.21036	4.4
271.16843	2.7
279.20966	2.8
281.18726	2.4
281.22720	4.4
297.22076	3.5
299.19901	3.7
313.21588	4.5
325.21561	5.8
339.23254	3.1
365.24335	3.2
372.69376	2.8
375.30042	4.6
393.31485	3.6
403.30112	15.4
414.27121	4.1
419.28876	2.6
421.30945	100.0
422.31259	5.8
431.28683	6.7
449.30365	23.2
450.29684	3.4
467.31595	72.7
468.31607	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03931	0.7
56.96546	1.2
56.96806	0.4
57.03408	0.7
59.05003	0.5
60.04498	0.7
61.02924	0.7
69.03422	4.9
70.06556	0.9
71.04961	0.5
71.61031	0.6
73.02888	0.6
79.01854	3.3
81.03402	3.5
85.02422	0.6
85.02892	5.1
87.04463	0.7
97.02881	3.8
98.97568	1.4
99.04458	0.9
101.00839	0.5
103.87294	0.4
107.01313	0.9
109.02869	3.0
111.58799	0.3
116.07060	0.7
116.98580	1.1
119.01890	1.2
121.88270	0.3
125.02347	4.2
127.03910	5.0
131.01901	1.8
133.03484	0.5
134.99582	0.6
136.07565	0.8
140.07085	0.6
141.30116	0.3
143.01907	1.2
143.03383	5.9
145.03496	0.8
145.04901	0.7
149.02869	0.6
149.06558	0.8
153.01810	100.0
153.02789	3.9
154.02139	1.9
155.01927	2.2
156.04825	0.4
158.99608	0.5
159.06516	0.4
161.01184	0.4
161.02928	2.4
161.06071	0.4
163.03998	0.5
165.05391	0.6
171.01518	0.7
171.02872	7.5
173.02933	2.4
173.06577	1.7
175.02628	0.4
177.00670	0.6
177.05658	0.5
185.06561	2.1
187.08130	0.5
191.07649	1.6
197.08018	0.8
203.07645	1.6
215.07689	0.6
219.07829	0.7
221.05083	2.2
227.07433	0.4
233.04456	0.4
237.02715	0.8
257.08640	0.4
275.09689	3.2
287.40530	0.4
293.10794	4.6
297.06000	3.0
315.07053	8.4
321.10306	0.5
369.88681	0.4
408.19003	0.4
427.11890	0.5
431.10352	0.8
449.11368	2.7
450.81583	0.4
466.64056	0.5
467.12155	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	467.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	4.5
57.03436	2.6
59.68810	1.9
61.02898	2.0
63.73569	1.8
69.03413	7.0
69.88152	11.8
70.06576	3.5
71.05013	3.4
71.83767	1.8
73.02921	2.5
79.01862	3.0
81.03416	5.5
81.07053	2.3
85.02887	16.4
91.05491	3.8
94.99867	2.0
97.02871	7.7
98.97566	8.5
99.08089	2.1
101.00885	6.3
105.00335	2.5
107.49577	1.9
109.02840	4.9
113.83813	1.9
116.07084	4.9
116.98598	3.7
119.01910	33.1
124.02174	2.4
125.02332	2.4
127.03905	9.5
128.98676	2.8
131.01904	18.9
131.05569	5.0
133.03468	5.5
136.07552	3.1
137.02951	3.4
137.05959	3.5
139.03880	3.5
143.01891	50.8
143.03346	7.4
145.03442	11.0
145.04839	2.8
146.99615	1.8
147.01321	2.7
147.05098	2.7
149.02911	2.7
149.06627	11.1
149.78314	2.0
153.01807	89.2
154.02199	2.2
155.01857	18.9
155.05495	2.1
157.03424	7.3
159.05058	5.2
161.02943	100.0
163.04483	2.2
167.07079	2.3
169.03546	2.8
171.02950	3.1
171.05054	5.6
173.02962	35.8
173.06566	27.9
175.04518	2.7
177.00766	3.8
177.06097	3.8
184.04567	5.0
185.03033	3.9
185.06569	28.5
187.04359	3.1
187.08128	6.2
189.06136	3.0
191.07632	9.8
197.06609	4.3
199.08188	7.1
201.06221	2.5
202.05374	2.8
203.04050	6.4
203.07616	19.3
205.09142	2.7
209.06483	2.5
211.04584	2.5
215.07686	10.6
217.09232	7.1
219.07831	6.1
221.04994	28.1
227.07607	6.2
233.08687	3.9
237.02829	2.9
244.40372	2.1
245.05006	7.5
248.05875	2.4
257.08792	5.4
263.06143	2.8
275.06830	3.4
275.09732	36.0
279.03656	3.0
279.14362	5.1
293.10779	63.7
294.11124	3.2
305.07977	2.6
316.12408	3.5
319.12286	15.9
323.13358	6.0
337.09018	3.2
338.09265	2.5
347.13367	3.6
351.11496	10.2
361.13596	4.4
363.11188	5.5
365.14203	3.6
407.13980	3.4
420.69867	2.1
431.10132	11.2
449.11160	40.0
467.12073	58.6
467.17514	8.5
468.12897	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.2
51.02176	0.1
51.02350	0.4
53.00280	0.1
53.03935	0.1
54.01853	0.1
54.06995	0.1
55.01868	0.3
55.05510	0.1
56.75936	0.1
57.03426	0.1
67.05470	0.2
69.03423	1.4
69.07050	0.2
69.42487	0.4
69.42916	0.5
71.01325	0.1
71.04976	0.3
79.01841	4.5
79.05481	0.3
81.03403	1.1
81.07031	0.3
83.04948	0.2
83.48383	0.1
84.68539	0.1
85.02912	0.5
85.06529	0.1
87.00784	0.1
89.99734	0.1
91.05483	0.2
92.74425	0.1
93.07029	0.1
95.04939	0.2
95.08599	0.2
97.02876	1.5
97.06528	0.2
99.04433	0.2
107.01305	1.0
107.04985	0.1
107.08588	0.2
109.02876	0.8
109.10140	0.1
111.04410	0.1
113.05964	0.2
119.08559	0.1
121.06484	0.1
121.10168	0.1
122.37155	0.1
123.00784	0.1
123.04390	0.1
123.11694	0.1
124.07575	0.2
125.02334	3.5
127.03900	2.2
127.07484	0.1
135.04364	0.1
135.08060	0.2
137.05923	0.2
139.03949	0.1
141.09068	0.2
143.03375	6.9
145.04967	0.1
145.08562	0.4
147.04366	0.2
149.09595	0.1
151.09708	0.1
153.01805	100.0
153.02771	3.7
154.02132	0.9
161.07132	0.2
162.05453	0.1
163.03900	0.2
164.07190	0.1
167.07048	0.1
171.02840	0.4
181.04942	0.2
181.51691	0.1
191.03378	0.6
207.07693	0.2
209.04420	0.2
212.09288	0.1
213.03856	0.3
219.02893	0.1
233.04445	0.2
237.03923	2.0
241.13445	0.1
241.80959	0.1
243.14676	0.1
259.14322	0.2
261.04010	0.5
267.11057	0.1
269.12820	0.3
277.00162	0.1
279.04941	0.7
287.13806	0.7
297.05972	1.1
303.13412	0.1
305.14795	0.4
323.12329	0.2
449.07120	2.7
467.08066	0.5
467.14377	0.1
480.71799	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	466.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85756	0.4
55.01859	0.7
55.05502	2.7
57.03431	3.7
57.07059	0.6
61.02908	1.3
67.05492	16.1
69.03412	1.5
69.07055	5.3
70.28230	1.2
71.04964	1.6
73.02894	1.4
73.48369	0.4
73.61770	0.5
79.05485	7.5
80.96719	0.4
81.03395	1.2
81.07044	23.8
82.07350	0.5
83.04971	2.0
83.08611	4.4
85.02893	3.1
85.06522	1.4
87.04495	0.4
90.44868	0.4
90.48653	0.4
91.03942	0.9
91.05470	4.0
93.07028	15.6
93.07620	0.7
95.04961	1.5
95.08593	7.2
97.02873	2.2
97.06512	3.6
97.10111	0.8
99.04421	0.7
99.08062	1.0
105.06998	1.8
107.08569	7.8
109.06490	0.6
109.10143	2.1
111.08065	3.3
111.11677	0.7
113.05989	0.5
115.03916	0.8
117.06987	2.4
119.08546	1.2
121.10123	5.6
123.08060	0.4
123.11712	1.0
125.09599	0.5
127.03884	1.0
131.08560	2.7
133.04965	0.5
133.10120	3.1
135.08008	0.8
135.11653	3.1
137.13231	1.4
139.11172	0.8
145.04900	0.5
147.11694	0.8
149.13237	13.5
153.01810	3.9
155.14169	0.4
157.10069	0.5
159.08012	0.5
159.11665	6.6
165.09068	0.6
176.52934	0.4
177.12711	3.6
195.13774	5.8
195.78186	0.4
218.40756	0.4
269.17441	100.0
270.17764	2.4
303.05319	0.9
304.05176	0.6
467.09421	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96881	0.9
55.01867	1.9
55.05503	1.5
57.03426	3.8
61.02907	1.5
67.05491	3.3
69.03416	6.0
69.07044	1.0
69.57668	8.1
70.06574	1.8
71.04983	2.8
79.01829	2.1
79.05479	6.9
81.03410	3.6
81.07034	2.4
85.02885	6.1
85.06542	1.8
87.04517	1.2
89.05975	1.4
91.05475	3.4
93.07025	1.4
95.04926	4.5
95.08585	2.1
97.02865	4.5
97.06495	1.4
98.05476	1.1
98.21584	1.4
103.05453	6.0
105.07008	4.7
107.04940	46.0
107.08559	2.3
109.02853	3.0
109.06494	3.7
109.10126	2.4
111.04417	1.1
113.05937	1.3
115.03874	1.2
115.05397	1.9
119.04987	1.4
119.08556	1.3
121.06454	1.6
122.06020	1.7
123.04429	1.6
124.03894	1.3
124.05212	1.7
124.07579	2.4
124.83945	0.9
125.02289	1.6
125.05925	1.6
125.09564	1.1
127.03906	4.4
131.04922	3.0
131.06995	1.4
133.04929	1.0
133.06451	2.8
134.06006	1.7
135.06470	1.0
135.08032	17.3
137.05949	4.3
137.09624	6.8
139.03783	1.0
140.06998	1.5
142.08611	1.2
143.03365	4.4
145.08569	2.7
147.04280	1.4
149.05998	1.3
151.03865	3.8
151.07515	1.6
152.07047	1.8
153.01807	43.6
153.02884	1.9
154.06258	1.9
155.07011	1.9
155.10609	3.3
161.05945	1.5
162.05460	4.6
163.06042	2.3
163.07513	37.0
167.07016	100.0
168.07457	1.6
173.08032	1.4
173.96001	1.0
180.07817	2.9
181.04939	7.2
181.08549	1.6
193.08536	3.8
195.10135	28.8
197.51289	1.1
201.78169	1.1
211.09637	6.3
213.11188	71.8
214.11580	1.3
217.96565	1.3
243.08772	2.9
244.09369	5.2
244.11456	1.0
245.09729	2.5
258.13156	1.2
269.13629	1.6
287.14835	54.8
288.15024	1.7
300.14255	1.8
303.13214	2.9
304.05325	1.5
304.13574	3.9
305.14676	1.3
316.13626	2.0
317.14462	1.6
376.15564	1.1
379.15570	3.8
380.16156	1.5
430.16766	3.3
448.17984	7.5
466.19223	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	466.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01856	3.4
57.03421	5.8
60.04502	4.7
61.02929	2.6
69.03425	10.6
69.07054	24.0
70.06560	4.8
70.41045	7.3
71.04975	4.1
73.02898	6.8
77.18510	1.9
78.37684	1.7
79.01842	4.0
79.05485	3.8
81.03407	12.6
83.04955	2.9
84.08125	1.8
85.02883	22.3
85.61819	1.6
89.05997	1.8
91.05470	4.2
95.04958	5.2
97.02871	16.4
97.06541	3.3
97.64996	1.7
99.04432	4.8
101.06005	7.3
103.03987	1.8
107.04939	94.1
109.02859	13.7
109.65337	2.0
112.07580	7.4
115.03908	4.0
119.04911	3.2
121.02846	6.1
122.03163	2.1
123.04387	4.0
125.02351	2.9
126.09113	4.4
127.03896	22.3
133.04971	5.0
137.05945	34.4
137.08063	2.2
139.03839	2.5
140.07048	43.7
141.05415	2.2
143.03389	9.5
145.04922	8.4
151.03870	2.1
151.07507	2.2
153.01813	100.0
153.02820	3.8
154.08638	8.2
155.07008	7.9
161.06036	2.4
163.06033	1.8
165.05396	2.5
167.07013	2.6
168.06541	93.0
169.06944	2.2
179.07031	6.4
183.07864	1.7
186.07565	15.5
194.07266	5.0
194.31429	1.8
195.08003	2.3
197.08022	2.4
223.07532	16.9
223.09494	2.5
225.14998	1.8
233.08043	3.0
240.12128	2.5
251.09128	5.9
263.08768	2.4
267.11270	2.5
268.09439	18.5
268.12152	2.4
269.10214	3.0
285.12277	3.0
286.12616	7.2
294.09485	2.7
303.13306	4.2
304.05246	1.9
304.11444	6.9
304.13831	8.7
305.14764	2.5
312.10757	8.2
330.11774	5.7
414.40839	2.3
466.15933	2.8
467.18753	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	466.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01854	0.9
57.03424	1.7
60.04517	0.5
61.00787	0.5
61.02903	2.1
69.03418	5.5
69.07044	1.4
70.06612	0.5
71.04963	1.5
73.02897	1.6
74.02422	0.5
75.87356	0.5
76.90376	0.4
77.30508	0.5
79.01835	2.6
79.03115	0.4
79.05441	0.4
80.86586	0.4
81.03410	4.2
83.04945	0.9
85.02416	0.8
85.02896	10.7
89.06000	2.4
91.03896	0.5
93.06989	0.6
97.02874	7.5
97.25684	0.5
99.04439	1.0
106.87602	0.5
107.01277	0.9
107.04913	0.9
109.02887	2.5
115.03970	0.7
121.02836	1.6
123.04388	1.9
125.02380	2.3
127.03903	5.2
127.33135	0.6
128.79160	0.5
131.06987	0.7
131.08557	0.5
133.06323	0.5
135.04507	0.5
137.05954	1.7
139.03885	0.8
140.07019	1.7
143.03371	4.6
145.04922	2.3
152.06213	1.6
153.01810	56.3
153.02853	2.1
154.02127	0.9
155.02328	0.6
155.08488	0.6
165.05736	0.5
165.06961	2.9
167.08522	3.0
168.06546	4.1
171.02864	1.5
179.07028	0.5
179.08591	1.0
181.05048	0.7
181.06384	2.8
183.08047	7.5
187.07486	0.8
194.07245	27.3
195.08005	9.6
204.08067	0.6
207.08003	8.5
211.07507	13.4
222.09108	12.3
222.11108	0.4
223.07506	100.0
224.07834	3.1
224.10539	0.7
225.09145	1.4
227.06993	1.0
235.09891	0.9
237.03728	0.6
240.10149	7.4
241.08548	9.2
244.62085	0.5
251.06927	3.1
256.07251	0.7
258.11243	3.4
268.09641	92.1
269.07541	2.6
269.10068	2.3
274.10706	0.6
286.10623	19.0
297.05960	1.4
303.13348	1.1
304.11694	56.3
305.12094	2.0
310.10635	0.6
312.11142	0.6
315.07083	2.1
362.75894	0.5
364.11740	1.0
394.12781	0.5
412.13583	0.5
430.14908	1.3
449.07623	0.7
466.16229	3.8
467.08142	0.6
469.38818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
53.03927	0.8
55.01859	0.6
57.03414	1.3
59.06118	0.6
61.02893	0.8
65.03915	0.5
65.65809	0.4
66.54940	0.4
69.03423	4.2
69.07054	0.7
70.21423	0.4
71.04982	0.9
71.61663	0.5
73.02908	0.5
74.06072	0.5
79.01834	1.4
79.05466	0.8
81.03410	6.7
83.04976	0.5
85.02896	5.2
86.06026	0.4
89.06023	2.2
89.36209	0.4
91.05434	0.4
95.04966	0.4
97.02880	6.6
98.07148	0.4
99.04435	1.5
107.01310	1.0
107.04277	0.6
107.04953	6.8
109.02869	5.5
111.04458	0.6
112.28180	0.3
112.71419	0.3
113.06039	0.5
121.02823	2.2
123.04421	0.4
125.02329	2.7
127.02955	0.5
127.03895	8.2
131.07013	0.8
134.05966	0.5
137.05960	9.5
139.03889	1.5
140.07071	0.7
143.03383	5.0
145.04927	1.8
151.03889	1.0
153.01811	100.0
154.02185	1.1
154.08664	0.5
155.07004	0.6
166.05016	0.5
167.07053	0.4
168.06535	1.5
171.02859	11.5
179.07036	0.6
188.03737	0.5
196.09737	0.3
204.64485	0.4
207.08607	0.5
222.10956	0.4
224.09438	0.4
240.12074	0.7
267.11282	0.5
268.11612	1.5
279.05014	0.8
283.08063	0.8
286.12448	1.2
297.06006	9.2
303.01276	0.6
303.05038	0.4
303.13385	0.9
304.01736	1.0
304.05167	0.9
304.14001	1.9
315.07034	18.7
449.07037	0.5
466.16098	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3569
Annotation	3-Epicastasterone
Peak:m/z	Relative Intensity
55.01862	2.6
55.05500	7.9
57.07071	14.0
65.03919	1.7
67.05492	11.7
69.07058	13.9
70.75802	1.1
71.08620	10.7
71.63809	1.3
79.05466	3.1
81.07037	9.5
82.89023	1.2
83.01321	2.1
83.05003	1.8
83.08596	7.0
85.06507	1.3
85.10174	6.8
86.03095	1.3
91.05466	2.8
93.07018	4.0
95.04935	1.1
95.08589	8.1
97.10146	6.9
99.00790	3.4
99.04447	5.9
103.47945	1.0
105.07021	2.9
107.08606	5.9
109.06509	2.4
109.10133	9.6
111.04414	3.2
111.11703	2.8
117.06996	1.6
119.08558	3.4
121.06459	1.5
121.10145	3.4
121.95384	1.4
122.05753	1.2
123.08046	1.4
123.11696	2.3
125.05991	3.3
125.13285	1.4
127.03905	2.0
129.71829	1.3
131.08572	1.4
133.10042	2.4
135.04378	1.6
135.11671	1.1
137.05991	4.2
139.03882	66.4
139.07495	2.1
141.05428	3.8
145.10120	1.3
147.11633	1.4
149.13170	1.1
151.03882	3.2
151.07510	1.7
151.14838	1.0
153.05463	13.6
157.10030	1.3
159.11656	1.9
163.03879	3.7
169.04898	5.2
171.06499	1.4
173.11804	2.6
173.13214	2.2
177.09088	1.4
179.10678	1.3
181.04929	100.0
187.14616	1.7
195.10313	1.3
205.12236	1.4
223.09499	1.8
237.11208	1.7
265.14316	2.0
293.17389	1.6
303.05310	1.2
307.19022	1.8
321.20575	2.5
335.21936	2.2
363.25143	1.2
377.26709	1.5
391.28250	2.0
401.33997	4.4
405.33786	1.6
419.34949	3.7
429.33575	4.6
447.34171	8.8
465.35745	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	465.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
53.51012	1.8
55.01865	4.0
55.05500	21.4
57.03422	6.6
57.07062	5.3
65.03922	2.1
67.05493	35.0
69.03402	5.6
69.07052	18.0
71.01777	5.0
71.04976	9.0
71.08620	2.4
77.03939	1.8
79.05482	31.2
81.03387	8.8
81.07045	51.1
83.04972	13.5
83.08597	13.6
85.02900	5.8
85.06536	8.0
91.04948	3.0
91.05470	28.7
93.07029	41.1
95.04948	33.0
95.08594	44.9
96.08952	1.9
97.02868	2.3
97.06512	8.3
97.10140	5.4
97.74880	1.5
99.04410	5.7
99.08067	10.5
99.13367	2.0
101.06005	5.3
105.06426	1.1
105.07008	36.8
107.04950	5.7
107.08577	100.0
108.08897	3.3
109.02850	2.5
109.06503	9.4
109.10135	32.2
111.08051	6.4
111.11689	2.0
117.07012	8.6
119.08557	45.2
121.06516	6.4
121.10128	41.0
123.08049	6.6
123.11691	20.0
125.05962	3.2
125.09605	8.9
127.07516	2.6
129.06956	3.8
131.08554	20.2
133.10109	38.8
134.10463	2.1
135.08029	8.8
135.11664	40.2
137.05986	7.9
137.09607	5.0
137.13249	5.0
139.11160	2.9
142.07773	2.2
143.08543	6.2
145.10095	25.9
147.08000	4.6
147.11652	29.5
149.09596	9.7
149.13240	13.9
151.07507	3.6
151.11165	8.1
151.14822	5.3
153.09085	4.9
157.10094	12.5
157.93277	2.0
159.11655	32.5
161.09604	6.6
161.13196	15.8
163.07509	2.4
163.11188	7.6
163.14801	7.8
165.05928	2.1
165.09103	8.4
165.12709	8.4
167.10640	25.2
169.10168	3.5
171.11658	8.3
173.09662	3.7
173.13232	25.3
175.11150	7.0
175.14784	40.7
177.12692	14.0
177.16400	2.8
179.10652	4.0
179.14262	3.0
181.12251	4.0
183.11693	4.7
185.13242	7.2
187.11185	3.1
187.14792	20.9
189.11206	2.8
189.12746	4.5
189.16318	13.3
191.10577	2.2
191.14288	8.0
193.12245	8.0
193.15823	4.9
195.11925	4.2
195.13742	36.4
197.13304	3.1
199.14818	4.3
201.12741	3.4
201.16386	6.4
203.14235	3.6
203.17953	3.1
205.12189	5.7
205.15854	5.7
207.13860	6.9
209.15381	3.4
211.13248	8.5
213.16382	3.5
215.14253	2.0
215.17973	3.5
217.12354	2.3
219.13811	7.7
221.15306	4.2
227.18144	4.2
231.13747	2.4
233.15305	7.4
235.16824	10.4
241.19563	2.7
245.18993	4.2
247.16957	3.8
249.14876	2.4
253.14322	2.8
258.48700	2.0
263.20047	7.1
267.16028	8.4
273.18506	3.0
282.23361	2.1
287.39429	1.8
303.04962	18.5
311.20401	2.1
329.21094	6.4
347.21960	4.0
355.22665	2.3
365.28406	6.3
373.23605	15.5
383.29422	38.8
385.31076	3.3
391.24820	2.2
393.27881	7.8
401.30179	3.4
403.24557	4.4
411.28723	19.2
419.29568	5.2
421.25986	3.8
429.24979	2.4
429.30045	31.3
447.26996	9.9
447.31192	11.9
465.28366	49.1
466.28384	2.9
476.13449	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3206
Annotation	(+)-Aerocavin
Peak:m/z	Relative Intensity
55.01855	10.4
55.05510	31.7
57.03407	11.1
57.07056	6.5
62.36467	4.6
65.03913	7.2
67.05497	73.1
69.03409	16.5
69.07055	41.0
71.04983	13.1
71.62609	6.4
79.05485	50.5
80.10033	4.3
81.03393	16.8
81.06642	6.2
81.07050	77.3
83.04978	25.7
83.08603	24.2
85.02885	11.4
85.06523	12.9
91.05461	46.9
93.07027	95.5
95.04964	34.5
95.08593	91.8
97.02864	5.4
97.06531	29.0
97.10142	13.9
99.04465	8.3
99.08060	5.4
101.06049	7.9
105.07014	69.6
105.38402	4.3
107.04963	7.7
107.08575	85.3
109.06487	15.0
109.10133	66.4
111.04375	5.6
111.08073	48.2
117.06989	13.5
119.08559	100.0
121.06470	21.9
121.10133	68.3
123.04427	4.3
123.08041	15.5
123.11666	26.3
125.09605	27.8
127.03886	4.8
128.47418	4.9
129.07016	10.6
131.08517	31.7
133.10123	87.7
134.10498	5.5
135.08073	10.5
135.11685	50.5
136.11920	5.1
137.09572	8.0
139.07497	23.3
139.11163	6.5
143.08519	7.1
145.10081	43.4
147.11700	47.2
149.09613	12.1
149.13235	21.7
151.07512	9.7
151.11128	17.8
153.09106	6.9
156.09323	6.7
157.10124	27.2
159.11655	54.5
161.09572	14.3
161.13246	37.3
163.11160	17.4
163.14745	9.4
165.09102	8.6
167.07022	5.7
167.10701	4.6
169.10057	5.9
171.11658	19.0
173.09593	5.6
173.13254	47.9
175.11183	14.6
175.14803	69.1
177.08998	6.8
177.12749	7.2
177.16341	16.6
178.17123	5.0
183.11598	12.0
185.09538	7.4
185.13249	19.7
187.11211	7.6
187.14778	28.3
189.12737	7.4
189.16347	18.9
191.14154	5.7
193.12216	12.8
195.13795	7.9
197.13254	9.9
199.14810	19.1
201.12767	7.0
201.16360	65.8
203.14169	6.6
203.17966	22.9
211.13184	9.1
211.29755	5.3
213.16298	9.3
215.17958	6.5
217.15883	9.2
217.19452	9.9
219.13811	14.7
223.13023	5.4
225.16298	7.6
227.17952	6.9
229.15912	6.9
230.16653	4.9
253.14243	12.4
255.21036	18.7
262.51208	6.9
266.81372	5.7
267.15909	7.0
273.22144	57.5
303.04919	41.9
303.23059	10.0
309.18292	5.6
373.23682	8.9
383.29398	7.8
387.25345	5.8
393.27777	8.5
401.28494	6.5
411.28922	51.8
419.29376	17.4
429.30042	68.5
431.27454	7.5
447.26910	10.2
447.31555	6.9
465.28909	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	465.3203
Annotation	(+)-Aerocavin
Peak:m/z	Relative Intensity
55.05495	4.7
57.03423	0.9
57.07075	1.6
61.32244	1.0
67.05499	9.5
69.07054	5.8
70.58012	2.9
71.04962	1.3
79.05475	8.7
81.03419	1.5
81.07040	14.0
83.03374	0.8
83.04955	2.0
83.08607	2.2
85.06516	2.1
91.05470	6.6
93.07033	10.4
95.04968	2.5
95.08589	12.4
97.06513	2.1
99.04422	1.5
101.05975	1.6
105.07018	9.0
107.08578	47.3
108.08951	1.1
109.06480	2.6
109.10143	10.1
117.07016	1.5
119.08572	16.6
121.06488	1.6
121.10138	13.7
123.08051	9.1
123.11668	2.1
131.08542	2.4
133.10104	13.6
135.08026	2.6
135.11650	10.2
140.99390	0.9
145.10152	2.2
147.11684	3.0
149.02287	2.6
149.13246	6.3
151.11136	2.8
153.09129	1.1
157.10178	1.8
159.11674	11.0
161.09581	1.4
161.13237	36.7
163.07530	2.6
163.14790	3.4
168.60913	1.0
173.13214	7.1
175.11151	1.8
175.14812	10.1
177.12718	8.4
179.14281	100.0
180.14613	2.2
187.14937	1.1
189.12766	1.0
189.16367	1.1
191.14291	4.9
192.78543	0.9
193.04927	1.9
193.15874	10.4
195.13811	7.2
201.12714	1.7
205.12328	1.2
209.15337	7.9
219.13782	13.1
237.14804	6.2
249.14919	1.6
253.14381	3.4
255.15892	3.7
303.05005	1.1
369.27777	1.0
382.62665	1.0
393.27927	1.2
411.28635	1.3
429.29861	7.1
447.31064	13.5
465.29105	5.4
466.31509	1.8
491.06796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.9
55.01847	4.3
55.05500	21.7
57.03423	7.9
57.07057	4.5
65.03930	2.5
66.20010	1.7
66.31534	1.8
67.05163	2.8
67.05499	40.8
69.03411	4.6
69.07059	20.9
69.96690	11.5
71.04984	5.2
75.22054	1.5
79.05483	35.1
81.03406	15.1
81.07043	55.1
82.07384	3.4
83.04978	12.8
83.08601	12.3
85.02895	11.5
85.06532	7.5
87.04438	2.2
91.05473	30.6
92.05788	1.9
93.07023	44.4
94.07375	1.9
95.04949	34.1
95.08595	50.7
97.02880	3.3
97.06526	10.8
97.10136	9.2
99.04446	4.1
99.08073	8.5
101.05992	5.9
105.07019	39.0
107.04949	5.1
107.08579	100.0
108.08855	2.4
109.06529	12.5
109.10141	31.4
111.08073	6.7
113.06026	2.1
113.66669	1.9
117.07011	7.9
119.07787	3.7
119.08574	50.6
121.06497	7.2
121.10121	40.1
123.04447	2.1
123.08044	9.9
123.11696	18.6
125.05982	2.6
125.09608	9.2
129.06992	7.3
131.08545	18.7
133.06477	2.2
133.09219	3.4
133.10118	37.2
135.08046	9.7
135.11671	44.2
137.05963	7.8
137.09627	6.4
137.13237	2.8
139.07564	4.0
139.11162	2.4
143.08504	8.6
144.09232	2.1
145.10104	22.8
147.08020	4.2
147.11678	24.7
149.05951	1.8
149.09625	10.6
149.13216	11.4
151.07549	4.6
151.11154	6.7
151.14764	3.2
153.01733	2.8
153.09087	3.1
155.08577	2.8
156.09328	2.8
157.10115	11.6
158.10806	2.2
159.08003	3.7
159.11671	31.2
160.71852	1.8
161.09622	4.8
161.13205	19.6
163.07570	2.5
163.11223	9.5
163.14798	7.0
165.09169	9.2
165.12744	3.8
167.10646	20.9
169.10121	3.5
171.11658	8.9
173.09679	1.9
173.11897	3.1
173.13257	28.6
174.96146	1.9
175.11157	7.5
175.14803	41.0
177.12744	12.9
179.10687	4.8
179.14331	2.7
181.10104	2.0
181.12221	5.1
183.11594	4.4
185.09703	2.0
185.13199	10.1
185.80550	1.8
187.11191	5.1
187.14815	17.5
189.09053	3.4
189.11200	2.1
189.12781	4.9
189.16374	10.6
191.14284	5.1
193.12294	9.5
193.15881	4.7
195.11993	3.2
195.13795	28.6
197.13220	4.1
199.11169	2.3
199.14781	5.2
201.12732	3.7
201.16370	8.1
203.10666	2.3
203.14311	3.1
203.17892	4.1
205.12183	6.4
205.15872	3.9
207.13745	5.4
207.17532	2.8
209.15295	5.1
211.13202	4.9
211.14926	3.6
213.16386	4.7
215.14209	3.6
217.15843	2.3
217.19502	2.4
219.13762	7.0
219.17183	1.8
223.13216	3.8
223.16980	2.2
227.17960	6.0
229.04843	2.9
229.15935	2.3
233.15292	8.8
235.16925	7.5
238.41142	1.9
241.19475	3.9
245.19080	2.3
253.18040	1.9
256.13165	1.9
257.22403	1.9
259.16852	2.4
261.18585	2.7
263.20111	11.3
267.15732	4.6
270.23477	1.8
273.22018	1.9
301.21667	3.0
303.04968	22.4
303.23148	3.0
315.32010	1.8
329.21066	7.3
339.52441	2.2
347.22162	3.3
355.22647	3.4
365.28357	4.4
369.27786	2.2
373.23676	12.3
383.29361	31.6
393.27859	6.3
401.30542	3.4
403.24704	3.1
411.29028	13.4
419.29184	5.0
421.26016	3.3
429.30148	29.1
447.26968	9.5
447.31366	9.6
465.28403	40.8
466.29242	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	465.2992
Annotation	Macrophyllidimer B
Peak:m/z	Relative Intensity
50.54416	1.3
53.03931	1.8
55.01847	3.5
55.05500	14.4
55.25877	1.1
57.03422	2.9
57.07062	1.6
61.62185	1.1
62.86518	1.2
64.22146	1.2
65.03916	2.0
67.05492	27.7
69.03416	2.5
69.07058	19.9
71.04970	2.7
71.62590	2.8
79.05473	27.1
81.03394	6.0
81.07042	35.1
83.04964	6.0
83.08611	7.2
85.02888	2.3
85.06533	2.5
87.04435	1.9
91.05465	25.9
93.06459	2.3
93.07024	35.7
93.09026	1.4
95.04949	15.8
95.08588	32.0
97.06527	6.1
97.10133	3.8
99.04443	1.7
99.08080	2.6
100.78557	1.3
103.05460	1.2
105.04527	1.6
105.07012	50.3
107.04940	2.9
107.08575	38.1
107.09291	2.8
108.08891	1.4
109.06508	8.4
109.10134	17.1
111.04424	3.0
111.08055	3.9
115.05468	1.3
116.49736	1.1
117.06994	9.3
119.08557	54.3
120.08910	1.4
121.06472	2.9
121.10123	18.1
123.08062	4.9
123.11698	5.1
125.06007	1.7
125.09590	3.2
128.06155	3.2
129.06992	7.1
130.07767	2.0
131.08551	35.7
133.06465	2.3
133.10106	33.7
134.10480	1.6
135.08015	4.0
135.11656	21.8
137.05943	1.8
137.09596	2.6
137.13217	1.3
139.07516	1.4
141.06934	1.6
142.07773	4.2
143.08548	14.4
144.09325	2.6
145.06482	1.5
145.10104	46.1
146.10493	1.5
147.08031	4.2
147.11665	21.1
149.05965	2.2
149.09622	5.1
149.13229	8.2
151.07571	1.8
151.11153	3.5
153.09065	3.0
155.08545	4.4
156.09319	5.7
157.10101	26.9
158.10883	2.9
159.08023	1.7
159.11662	26.6
159.37251	1.2
160.12161	1.2
161.09624	4.1
161.13248	18.6
163.07570	2.7
163.11172	6.0
163.14799	11.4
165.09132	1.4
165.12785	2.2
167.08597	1.4
167.18658	1.3
168.09372	1.4
169.10106	8.4
170.10918	3.3
171.08040	1.9
171.11629	16.5
173.09598	3.3
173.13231	40.2
175.07469	1.5
175.11255	7.4
175.14824	24.0
177.12784	1.8
177.16345	5.8
179.14291	1.9
181.10201	2.8
181.12175	4.1
182.10832	1.8
183.11623	8.4
184.12410	1.5
185.09621	8.5
185.13202	16.9
187.11192	4.5
187.14778	32.0
189.09134	2.4
189.12712	3.4
189.16383	11.5
191.10562	1.6
191.14253	5.1
191.18016	1.8
193.10539	2.0
193.12216	9.9
195.11676	3.0
196.12260	1.3
197.13176	8.5
199.11301	3.2
199.14792	23.5
200.11996	3.6
201.12708	8.1
201.16344	31.0
203.14346	2.9
203.17917	11.2
205.12154	2.7
207.11818	2.2
207.13760	2.0
209.13316	3.0
211.13220	5.5
211.14879	4.5
213.12823	2.4
213.16376	9.1
215.10524	1.5
215.14307	4.3
215.17819	2.4
216.32593	1.3
217.12207	12.8
217.15955	2.0
219.13680	10.5
221.13257	2.8
221.15350	2.5
223.14763	2.8
225.16344	5.7
227.14369	3.2
227.17960	5.6
229.15924	3.5
229.19472	3.0
231.13788	3.1
233.15436	1.4
235.14757	1.7
237.16473	2.6
239.18050	3.2
241.15788	1.4
243.13792	3.1
243.17546	1.7
245.15329	10.9
247.16978	4.4
249.18576	1.5
251.18037	3.5
253.14304	1.9
253.19563	2.2
255.15828	3.2
257.15433	3.2
259.16849	2.1
267.15921	5.4
267.21115	1.6
271.16965	2.8
273.18549	1.8
277.19089	1.4
285.18558	1.5
303.04916	16.7
303.20972	1.6
304.05664	1.3
307.24072	2.4
311.20148	1.7
327.15472	1.4
351.23248	1.5
363.23044	1.4
373.24475	2.2
373.28943	8.3
375.30457	3.0
391.25665	1.6
391.30060	4.4
401.28531	6.1
403.29724	3.0
419.29358	59.7
420.29617	3.0
421.31021	7.2
429.27835	1.4
437.30719	10.0
447.28482	15.6
465.29657	100.0
466.29852	5.3
483.31284	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	465.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.8
55.01857	5.4
55.05506	34.9
57.03429	19.4
57.07061	9.4
59.04993	2.5
65.03917	3.0
67.05496	72.1
69.03419	11.5
69.06716	3.3
69.07061	41.9
69.63853	9.4
69.64262	3.2
71.01324	3.3
71.04998	12.3
71.08628	2.8
78.10343	1.9
79.05479	65.7
81.02975	3.2
81.03410	42.6
81.07049	79.0
83.04963	20.9
83.08610	32.8
85.02892	24.6
85.06538	11.4
85.10136	2.3
91.05468	49.4
93.07029	75.9
95.04956	51.1
95.08598	51.8
97.02877	3.6
97.06502	18.5
97.10160	22.1
98.21441	4.2
99.04449	2.5
99.08087	5.9
103.05463	3.0
105.06361	3.6
105.07011	34.8
107.04952	9.2
107.08579	49.2
109.02850	3.6
109.06529	10.4
109.10152	34.7
111.04427	2.8
111.08076	11.4
111.11672	10.2
113.05973	2.8
115.05418	3.8
117.07001	10.6
119.08567	36.5
119.31277	2.0
121.02856	5.0
121.06485	13.4
121.10119	23.5
123.08059	7.7
123.11684	17.5
125.05975	2.2
125.09616	8.9
127.03894	2.2
129.07007	11.6
131.08559	16.5
133.06483	2.8
133.10118	26.1
135.08069	7.9
135.10666	3.4
135.11674	53.5
137.05954	5.7
137.09596	5.1
137.13214	6.1
139.07610	2.6
139.11165	3.1
141.31583	2.0
142.07755	3.8
143.08533	4.4
145.06444	3.9
145.10089	20.9
147.08026	7.4
147.11674	19.6
149.09592	7.2
149.13249	4.2
151.11145	5.5
151.14861	2.5
153.01805	3.7
153.12744	3.7
157.10098	17.1
159.11647	11.0
161.09561	5.2
161.13242	5.6
163.11174	10.9
165.09061	7.8
165.12767	6.2
165.16373	2.0
167.07022	2.1
167.10710	2.0
169.10062	3.3
171.11638	2.9
173.13275	7.9
175.11139	12.8
175.14784	6.1
177.09010	2.6
177.12675	4.5
177.16403	2.2
179.16054	2.0
181.12210	7.8
185.13249	2.8
187.14781	5.0
189.09042	1.8
189.16353	2.7
191.10664	3.2
193.12218	45.3
195.11661	2.2
196.12321	2.2
197.13174	2.8
199.14838	3.8
201.12709	2.8
201.16356	2.7
203.10588	2.5
203.17905	2.8
205.12367	3.4
211.13243	40.2
211.15205	2.2
215.14302	2.0
219.13878	2.2
237.14680	3.2
249.25708	4.8
255.15950	8.3
267.15668	10.0
267.26794	12.2
285.21915	2.8
285.27963	3.3
303.04941	18.2
303.23105	5.4
329.20944	5.6
373.23755	10.6
395.63196	2.0
403.24530	4.3
411.29343	3.5
419.28955	3.6
421.25903	3.6
429.25739	3.1
447.26926	21.9
465.28430	100.0
466.28741	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.4
53.11313	1.1
55.01864	6.0
55.05501	25.3
57.03190	1.5
57.03430	18.6
57.07052	1.3
59.04983	0.9
65.03916	3.8
67.05493	62.5
69.03403	3.9
69.06712	1.3
69.07056	19.3
69.59288	7.1
71.01327	3.2
71.04973	7.1
79.05482	55.7
80.05806	1.6
80.18211	0.9
81.03407	44.3
81.07046	51.6
82.07359	1.2
83.04974	16.8
83.08604	18.5
85.02415	1.5
85.02895	21.3
85.06514	5.1
90.28321	0.9
91.04896	1.2
91.05469	42.4
93.07028	55.5
95.04356	2.0
95.04958	35.8
95.08589	18.9
97.02843	1.4
97.06524	13.2
97.10138	10.9
98.21439	2.0
99.04414	2.2
99.08074	2.4
103.05427	1.1
105.04508	1.5
105.07015	26.4
107.04929	7.8
107.08573	38.3
109.06506	8.4
109.10133	11.6
111.04393	1.8
111.08076	9.4
113.05969	2.1
117.06995	8.8
118.27711	1.0
119.08558	22.0
121.06472	4.6
121.10130	15.1
123.08077	4.7
123.11674	2.6
125.09599	3.9
128.06218	1.7
129.06984	9.5
130.07770	1.2
131.08563	11.0
133.06461	2.7
133.10081	15.0
134.10559	1.0
135.08028	2.7
135.11673	43.0
137.09593	4.1
142.07715	2.6
143.08495	2.7
145.10091	11.6
147.08022	2.9
147.11678	10.0
147.45134	1.1
149.02313	2.7
149.09596	4.2
149.13245	2.1
151.11127	2.3
153.12709	1.1
157.10106	11.4
159.11668	2.8
161.09566	1.5
161.13303	2.2
163.11174	8.7
165.12700	2.9
169.10080	1.2
171.11699	1.8
173.13205	2.0
175.11140	12.4
175.14749	1.2
177.12724	2.1
177.52585	1.1
179.14268	3.5
181.10040	0.9
181.12180	6.9
185.13240	2.3
187.11140	1.6
189.11249	2.5
193.04956	1.6
193.12216	40.0
199.13222	1.3
205.12262	1.0
207.13742	1.0
211.13252	46.5
211.15253	2.4
219.13826	0.9
223.13133	1.9
237.07643	1.2
249.14865	2.0
255.15901	11.1
256.26315	2.5
261.15015	1.2
267.15881	9.0
303.04993	7.0
329.20953	2.6
347.22058	1.2
355.22595	2.1
373.23801	7.9
391.24512	1.3
403.24545	3.6
405.34268	1.1
421.25742	3.8
447.27103	15.5
465.28339	100.0
466.30386	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	465.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
55.01858	4.1
55.05265	1.5
55.05503	26.4
57.03427	16.1
57.07052	2.5
58.75370	1.4
65.03923	2.7
67.05495	55.5
69.03410	4.9
69.06718	1.7
69.07057	18.6
70.58521	3.0
71.01348	3.7
71.04984	8.9
79.05482	52.4
79.05955	2.7
81.03407	39.5
81.07047	49.3
83.04971	16.9
83.08600	15.0
85.02898	19.3
85.06522	6.2
91.05467	41.5
93.07034	58.1
95.04958	42.7
95.08600	24.1
97.02883	2.3
97.06517	12.2
97.10159	13.0
99.08060	2.9
101.06003	1.9
105.07017	26.7
107.04925	6.5
107.08581	38.8
109.06519	7.3
109.10148	18.2
111.04408	3.6
111.08066	10.1
115.05428	1.8
117.06997	8.3
119.08564	28.1
121.06493	5.7
121.10136	18.0
123.08047	4.3
123.11697	12.1
125.05943	1.7
125.09588	7.0
129.07010	9.1
131.08554	13.8
133.06464	3.8
133.10129	17.6
135.08031	3.5
135.11676	43.1
136.11829	1.8
137.05968	2.5
137.09579	2.5
142.07809	2.3
143.08565	4.1
145.10077	15.3
147.08043	4.0
147.11665	14.4
149.09604	5.3
149.13213	3.6
149.74643	1.5
151.07539	2.6
151.11162	3.6
153.12729	1.9
155.08482	1.3
157.10109	12.4
159.07994	1.7
159.11696	8.6
161.09557	2.5
161.13190	4.0
163.11157	8.7
165.09137	3.2
165.12654	3.1
167.07077	1.5
169.10178	2.2
171.08038	1.4
171.11603	2.2
173.13254	3.4
175.11159	13.2
175.14798	2.8
177.12711	3.9
179.10648	2.0
181.10066	1.7
181.12248	6.9
183.11562	1.5
185.13300	2.3
187.14713	2.6
189.11205	2.7
189.16399	2.2
189.20065	1.8
193.12212	40.9
195.10347	1.6
197.13344	1.8
203.14232	1.9
205.12228	3.1
211.13248	49.2
219.13914	2.2
235.16974	1.6
249.14836	2.4
253.14233	1.8
255.15857	9.4
267.15894	8.7
303.04987	7.8
311.20322	2.2
329.20996	5.3
347.22076	3.8
355.22772	2.6
373.23819	12.2
391.24576	2.0
403.24664	4.0
411.28903	3.9
421.25772	5.9
429.29871	4.9
440.95956	1.5
447.26874	19.4
465.28357	100.0
466.28839	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01849	1.6
55.05500	5.5
57.03430	5.9
57.07051	0.9
61.02904	2.1
66.84849	0.5
67.05493	13.5
69.03424	3.3
69.06724	0.5
69.07056	8.3
69.67925	3.5
71.04968	2.5
71.94846	0.5
73.02894	1.2
79.05482	8.0
79.76160	0.4
81.03384	1.3
81.07041	43.5
83.04969	3.9
83.08598	5.2
85.02885	4.2
85.06519	3.8
91.03923	0.9
91.05463	12.2
93.07027	8.5
95.04951	2.6
95.08587	12.5
97.02876	2.7
97.06519	4.0
97.10159	0.9
98.20649	1.0
99.04428	0.9
99.08067	2.5
101.06004	0.7
103.05381	0.7
105.07015	20.0
107.08585	8.7
109.02792	0.9
109.06508	3.4
109.10125	2.9
111.08060	1.1
115.03886	0.7
117.06986	0.6
119.08566	17.3
121.06483	1.1
121.10118	14.1
123.04418	0.7
123.08047	3.5
123.11686	17.3
125.09562	1.0
127.03860	1.7
127.07509	1.6
129.06960	1.1
131.08516	1.6
133.04941	1.1
133.06493	0.6
133.10110	3.6
135.08040	0.7
135.11646	1.2
137.05927	1.8
137.09621	1.2
137.13223	8.8
139.11075	0.7
141.09097	0.8
143.08600	0.6
145.04921	1.8
145.10100	1.6
147.11661	42.3
148.11955	0.8
149.09573	1.1
149.13159	0.6
151.07446	0.6
153.12764	0.6
155.55014	0.6
157.10107	2.5
159.11659	0.9
161.09636	0.6
161.13219	0.6
163.11201	1.3
164.78604	0.5
165.09029	1.6
165.12717	18.9
166.13023	0.6
167.07034	0.7
173.09578	0.6
173.13274	1.3
175.11110	1.5
183.13791	2.7
193.12175	2.0
197.11697	0.6
211.13249	1.1
229.14297	8.6
267.15863	33.6
268.16342	0.6
285.16910	100.0
286.04028	0.6
286.17221	2.5
303.05023	4.2
303.13300	0.6
429.21445	1.0
447.22113	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	465.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38897	0.2
51.43762	0.3
52.04024	0.2
53.03936	1.0
55.01859	3.2
55.05504	1.4
55.94325	0.3
56.05020	1.3
57.03435	2.2
61.02924	2.6
69.03418	8.5
69.50642	2.7
70.06584	3.0
71.04981	22.9
73.02908	1.4
76.86661	0.3
80.05005	0.4
81.03397	3.4
82.06573	0.6
83.04976	0.3
84.04494	0.6
85.02894	13.0
86.06077	0.4
87.04448	2.0
88.07626	0.9
89.87766	0.3
91.03915	0.8
92.04975	0.4
94.06544	0.7
95.04958	0.6
96.04473	0.6
97.02881	6.1
97.06496	0.6
98.06040	51.7
98.21452	0.7
99.04438	25.6
101.02346	0.3
109.02850	1.6
109.06480	0.6
110.06021	3.1
111.04424	0.3
112.07584	1.4
114.05506	0.9
115.08688	2.0
116.07072	25.1
117.05473	0.9
118.06480	0.4
121.02844	0.6
121.06526	0.4
123.04445	0.4
124.07592	1.3
125.05992	1.4
126.05524	0.4
127.03901	3.2
128.07039	0.3
130.06479	0.4
131.04840	0.3
132.08035	0.3
135.04378	1.0
136.07568	0.8
138.05486	5.8
139.03893	0.6
140.07028	3.7
142.08604	3.4
145.04951	1.4
146.06050	0.6
148.07555	2.8
150.05493	0.5
150.09138	0.3
152.07028	3.7
153.05437	0.6
154.04984	0.4
154.08633	1.2
155.01926	0.4
155.05751	0.6
156.06526	0.8
157.09686	1.9
160.07509	0.6
161.02927	0.6
161.05518	1.0
162.05524	0.8
162.09132	1.0
163.06192	0.8
164.07045	1.1
166.08626	1.3
168.10204	0.6
170.06027	0.6
170.08110	2.1
172.07603	0.6
173.02962	0.5
174.07614	0.4
175.06264	0.4
176.07045	13.6
177.07661	0.8
178.08600	3.0
180.10190	1.1
185.02898	0.5
185.12878	0.4
186.11234	1.4
188.07373	0.6
188.09140	8.5
189.06021	0.4
190.08615	4.8
192.10168	1.4
194.08105	1.9
197.02908	0.4
200.07108	1.5
200.98216	0.4
203.03992	0.7
203.13882	2.0
204.06493	0.8
206.08109	1.5
207.11192	0.5
208.09695	2.0
210.11246	0.8
212.09239	0.7
217.09717	0.5
218.08075	10.9
220.09679	2.5
221.05081	0.4
222.11287	0.5
229.11810	0.6
231.06976	0.4
232.09683	0.7
235.08443	1.1
235.10718	19.3
236.09178	1.8
236.11179	0.5
238.10670	5.5
238.13054	0.3
239.13792	0.3
242.08168	0.5
245.05061	1.5
249.12340	0.6
250.10701	12.5
251.08606	1.5
252.12308	0.5
253.11737	0.6
254.10129	0.4
257.14944	1.4
263.06229	0.5
264.07526	0.7
267.13370	1.2
268.11795	1.0
273.08151	1.4
278.12277	0.6
285.14389	4.5
286.12701	1.4
291.09158	0.4
303.15460	83.2
304.13272	0.7
304.15817	1.7
321.10248	1.1
333.10364	0.3
429.18616	1.2
447.19714	1.6
465.20709	100.0
466.13135	12.1
466.20541	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.9
53.04129	0.4
55.01811	5.1
55.05450	1.8
55.05690	0.6
56.04977	1.1
56.96507	2.5
57.03374	4.2
59.04947	0.8
60.04473	0.5
61.02860	5.1
66.80690	0.4
67.05460	0.9
69.03419	18.1
69.03759	1.0
69.39382	3.6
70.06517	2.6
71.01311	0.7
71.04984	28.7
71.14110	0.4
72.04468	0.4
72.05267	0.4
73.02911	5.4
79.05424	0.9
79.73595	0.3
80.04941	0.7
81.03408	7.5
82.03668	0.5
82.06519	1.0
83.01292	0.7
83.04903	1.2
84.04431	1.1
85.02894	33.3
85.03380	1.0
85.06484	0.8
86.03167	0.9
86.06044	0.7
86.09605	0.4
87.04465	4.2
88.07573	0.8
89.05994	0.4
91.03943	2.3
91.35117	0.4
92.04926	0.9
94.06485	1.1
95.04892	1.1
96.04417	0.8
97.02876	16.8
97.06454	1.3
97.07032	0.4
98.03237	0.8
98.06043	47.5
98.06942	1.2
98.97571	4.5
99.04441	24.8
101.00811	1.3
101.02304	1.1
101.03350	0.4
101.05943	1.0
101.80206	0.4
102.04147	0.4
103.02396	0.6
104.07056	0.5
107.06949	0.4
108.08055	1.0
109.02853	4.1
109.06457	0.6
110.06024	2.9
110.97523	0.9
111.04377	1.3
112.07530	1.2
112.99072	1.0
113.05842	0.4
114.05485	1.0
115.02380	0.4
115.03847	1.3
115.08607	1.5
116.07079	24.8
116.98591	2.8
117.05403	1.6
118.06417	0.4
119.00157	0.4
119.01900	4.0
120.08040	0.4
121.02737	0.5
123.02831	0.4
123.04285	0.6
124.07500	1.6
125.04536	0.7
125.05911	1.3
126.05424	0.9
126.09056	0.6
127.02405	0.5
127.03905	10.6
128.98552	1.2
129.03954	0.4
129.05432	0.4
130.06487	0.5
131.00102	1.3
131.01897	3.3
132.03389	0.7
133.03424	3.6
134.05928	1.3
134.99586	1.2
135.04337	0.5
136.06105	0.5
136.07486	2.2
136.99635	0.4
137.02907	0.7
137.04573	1.1
137.07977	0.6
138.05478	5.3
140.02199	0.4
140.06010	0.6
140.07018	4.1
142.08603	3.0
143.00143	0.4
143.01874	1.8
144.08047	0.6
145.01651	0.7
145.03506	2.2
145.04941	7.7
145.06145	0.6
146.04997	1.0
146.99588	1.0
147.05008	5.3
147.06076	0.7
147.06606	0.4
148.05132	0.4
148.06491	0.7
148.07500	3.9
149.01140	1.3
149.02823	1.1
150.05440	0.8
150.09117	0.5
151.04428	0.4
152.07036	6.1
153.01868	0.8
153.05740	2.3
153.07321	0.7
153.55769	0.7
154.08545	1.5
154.93172	0.7
155.01862	1.9
155.05585	0.8
156.06497	0.7
157.01617	0.7
157.03442	1.9
157.09679	1.8
158.05995	0.4
158.07980	0.4
158.99629	1.0
159.03130	0.4
159.04980	2.0
160.07550	0.6
161.01114	0.8
161.02963	3.3
161.05519	3.3
162.03047	0.4
162.05254	0.8
162.06445	0.7
162.09056	1.2
163.02707	1.2
163.04370	2.2
163.06079	1.3
164.06995	1.4
165.05981	1.7
165.07269	0.5
166.08577	1.0
167.05589	0.6
168.10158	0.6
169.03195	0.6
169.04387	1.4
170.06036	1.6
170.08122	2.0
170.99588	0.4
171.05005	3.1
172.05049	0.6
172.07497	0.9
172.94205	0.5
173.01202	1.2
173.02893	4.1
173.06555	1.2
175.02713	1.2
175.04414	2.7
176.07076	12.7
177.00760	2.2
177.04208	0.9
177.05974	1.1
177.07588	0.8
178.04890	4.1
178.08569	3.6
179.00691	1.7
180.10120	1.0
182.07971	0.5
182.14005	0.4
182.65292	0.4
183.04942	1.1
184.04916	1.7
185.02887	1.5
185.06548	1.4
186.11171	1.0
187.02853	0.6
187.04471	2.1
187.08174	0.4
188.07423	0.6
188.09158	9.3
189.00618	0.9
189.04399	0.6
189.06059	5.3
190.08594	5.1
190.95355	1.0
191.02228	1.1
191.03912	0.7
191.05753	0.7
191.07561	0.5
192.06464	0.7
192.10165	1.4
193.03763	0.9
193.05431	0.7
194.08105	1.4
195.05078	0.7
195.07109	0.7
197.02921	1.1
197.06639	0.6
199.04414	1.1
199.08167	0.5
200.06990	1.3
201.00899	0.7
201.04283	0.5
201.06055	6.4
202.08543	0.6
203.00662	1.4
203.04083	2.0
203.05710	0.6
203.07588	2.3
203.13805	1.5
204.06487	1.0
205.02208	0.8
205.03830	0.9
206.07991	0.7
207.00114	0.7
208.09607	1.7
208.96353	0.5
210.11197	0.8
211.04706	1.1
212.07181	0.5
212.09151	0.5
213.05966	1.4
214.95338	0.9
215.00638	0.5
215.03909	0.7
215.07582	1.4
216.96896	0.7
217.02162	1.1
217.05608	0.6
217.09563	0.8
218.08086	10.5
218.98486	0.9
219.01801	3.2
219.07071	2.7
219.08855	0.5
220.02115	1.0
220.09602	1.6
221.01730	3.6
221.05011	4.5
221.07004	0.7
221.09428	0.5
223.04829	1.1
225.06160	1.9
225.12218	0.5
227.07626	2.0
227.57600	1.5
228.96751	0.5
229.09113	1.1
229.11620	0.7
229.59193	0.6
230.98482	0.6
231.07156	3.1
232.96436	3.4
233.01668	0.9
233.08783	1.0
234.08389	1.6
234.97932	0.5
235.03235	0.6
235.06564	0.6
235.08499	1.5
235.10721	17.7
236.09288	1.1
236.58101	1.1
237.02823	4.1
237.08028	1.1
238.10699	4.5
240.08215	0.5
240.96846	0.6
242.05832	0.4
242.08034	2.5
242.98413	1.1
243.03838	1.1
243.08902	1.5
243.58899	0.6
244.06880	0.9
244.96449	0.7
245.01984	0.8
245.05029	3.9
246.05354	0.9
246.97952	2.0
247.06949	0.9
249.12286	0.7
250.07016	3.3
250.10693	12.0
250.97342	0.7
251.08669	4.8
253.11996	0.5
255.04001	0.6
256.07767	2.2
256.57938	0.4
257.01675	1.8
257.05188	0.4
257.15024	1.5
258.09311	0.5
258.97867	1.9
259.06702	3.2
260.06775	0.6
260.99445	1.7
261.04913	1.9
261.08127	1.4
263.02966	0.9
263.06036	0.9
264.59634	0.7
265.07910	1.7
265.58307	1.0
267.13330	1.0
268.11752	1.2
271.03482	0.7
272.99271	0.8
273.04813	1.1
273.08096	1.6
274.97412	0.5
275.02768	1.0
275.06018	0.5
277.07715	0.7
279.00714	0.7
279.05975	1.2
279.09329	0.5
284.99475	1.2
285.14401	3.7
286.12747	1.5
286.97607	0.7
287.02896	0.7
288.09854	0.4
289.07172	0.5
291.06119	0.4
291.09195	10.8
292.09460	1.4
293.09174	0.5
295.11307	0.5
302.11902	1.3
303.00714	2.8
303.15463	77.2
304.13647	1.3
304.16342	0.7
305.03949	0.9
305.07346	0.9
305.10648	2.8
306.10724	0.5
309.10388	3.1
310.11633	3.9
310.61771	1.5
311.10788	0.5
315.11026	0.7
316.08768	0.7
316.11908	1.1
317.12747	0.7
318.10681	7.0
318.60806	1.3
319.08826	2.4
321.10284	9.6
322.10538	1.7
323.10013	0.8
324.11038	1.3
324.60913	0.6
325.08160	0.6
331.09354	1.3
332.10657	1.6
333.13907	0.9
335.11948	0.9
337.08093	1.6
345.02087	0.7
346.10104	1.9
349.09631	1.5
351.11420	2.3
355.09430	0.5
363.08047	0.9
367.09897	0.8
381.12350	0.9
384.12769	0.5
405.03793	6.1
405.09341	8.5
406.04099	0.7
406.09222	0.9
423.04767	3.2
423.10254	7.7
424.10019	0.5
429.19070	0.8
441.11142	0.6
447.19876	1.1
465.11252	4.9
465.20816	100.0
465.65216	0.8
466.13141	8.4
466.20596	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03939	0.7
54.97708	0.3
55.01857	0.4
55.05492	0.8
57.03426	0.6
61.02922	0.4
67.05502	1.4
69.03417	3.8
69.07054	3.8
70.06580	0.5
70.13760	1.3
71.04990	1.5
73.02904	0.3
78.34719	0.3
79.01835	2.1
79.05479	9.5
81.03403	5.2
81.23891	0.3
85.02894	4.3
95.04956	0.4
97.02875	4.7
97.06520	4.7
99.04437	1.2
99.64172	0.3
107.01298	1.3
109.02866	5.7
112.07575	0.3
115.07544	3.5
121.02877	0.5
123.04408	0.8
124.51353	0.3
125.02331	3.6
127.03897	8.3
133.08585	6.3
139.03918	0.4
140.07109	0.4
143.03372	4.6
143.81062	0.3
145.04959	0.9
151.03879	0.7
151.09637	8.5
153.01805	100.0
154.02170	1.2
171.02861	11.9
190.04893	0.3
196.09756	0.4
239.11879	0.4
267.11334	0.7
269.15878	0.3
271.06018	0.7
277.03491	0.3
279.05005	0.8
285.12350	1.0
297.06009	4.3
303.01346	1.3
303.04819	0.6
303.13235	2.1
315.07043	18.3
316.07288	0.3
465.16144	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
53.19922	0.3
55.01843	0.9
57.03405	1.3
64.85561	0.4
67.05482	0.5
69.03423	3.1
69.07041	0.6
71.04950	1.5
71.61537	0.4
71.61917	0.4
73.02909	2.8
79.05429	0.4
81.03381	1.2
81.07016	0.7
83.04936	0.5
85.02885	4.7
86.03210	0.8
87.04425	0.4
90.59276	0.4
91.05444	0.7
91.26268	0.4
93.07001	0.6
95.04939	0.8
95.08566	1.1
96.08131	0.4
97.02875	3.5
97.06490	0.7
98.03208	0.6
99.04401	1.1
103.05424	0.5
107.08532	0.6
109.02828	1.1
109.06481	0.5
113.05981	0.5
113.09584	0.5
115.03885	1.0
116.04255	0.5
120.08027	0.7
121.02814	1.7
122.03133	0.8
122.05981	0.3
123.08043	0.7
123.11701	0.4
126.05596	0.4
127.03856	1.7
127.07552	0.4
132.65808	0.4
133.04929	1.5
134.34094	0.4
135.11650	0.5
135.69043	0.4
137.05925	1.5
139.11078	0.5
145.04921	1.3
145.08574	1.1
146.08340	0.5
148.07487	0.4
151.03873	1.4
152.81499	0.4
153.01804	1.6
153.05461	2.4
153.12650	0.9
154.05769	1.5
163.06152	0.6
163.07524	1.1
171.07936	1.0
171.13783	0.4
172.05032	1.4
172.08658	7.6
173.09354	0.7
174.10341	0.5
175.08669	0.6
186.10213	1.9
187.07393	5.3
188.08078	0.5
198.06668	1.1
199.07385	3.4
200.08110	2.3
206.08316	0.5
211.12234	0.7
213.10129	0.6
214.09517	0.7
215.11662	0.4
216.07648	9.0
216.09982	2.3
229.07167	0.7
229.09753	0.5
239.11761	1.6
241.09737	0.6
243.08731	100.0
244.09499	54.9
245.10002	1.2
255.11238	0.8
257.10315	4.4
257.12671	0.7
267.11237	4.2
273.12399	0.5
285.12289	4.9
291.13229	0.5
297.12073	0.5
299.13818	1.0
303.04965	5.9
303.13339	6.7
315.13345	2.5
316.13937	1.3
362.13269	1.5
375.15186	1.0
377.14551	1.2
378.15271	73.7
379.16010	36.4
380.16504	0.7
399.15518	0.8
411.15356	1.2
429.16534	3.2
430.12552	1.0
447.14993	8.4
465.17892	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	465.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23173	0.3
53.03916	0.7
55.01822	2.8
55.05463	0.9
57.03432	4.4
57.07013	1.0
57.07257	0.2
59.04953	1.4
61.02923	2.2
61.75606	0.2
64.46947	0.3
65.03918	0.4
67.05495	2.3
68.99745	0.7
69.03419	8.0
69.03771	0.4
69.07052	1.8
70.06534	0.6
71.01296	1.1
71.04990	2.4
71.61893	0.4
73.02909	4.1
79.05418	1.0
81.03411	3.6
81.07053	1.9
83.04925	0.9
83.08551	0.8
85.02895	14.9
85.06524	1.4
87.04409	1.0
91.03904	0.7
91.05481	1.6
93.03384	0.7
93.07022	2.4
95.04951	2.2
95.08597	6.7
97.02874	6.4
97.06532	1.6
99.04392	1.1
99.08070	1.4
103.03893	0.5
105.06952	0.9
106.02854	0.3
107.04903	1.0
107.08569	2.3
109.02876	3.2
109.06496	2.3
109.10135	2.3
111.00755	0.6
111.04396	0.7
111.08022	1.1
113.05943	0.9
113.08889	0.5
113.09626	7.8
115.03927	2.4
117.06926	0.4
119.04888	0.3
119.08542	0.8
120.08058	0.5
121.02863	1.4
121.06422	1.2
121.10075	0.8
123.04356	0.9
124.03896	0.5
124.04778	0.3
125.02324	0.3
125.09566	0.7
127.03902	4.1
127.07521	0.7
127.11167	1.7
128.06134	0.3
129.06982	0.4
131.04877	0.4
131.06969	0.6
131.08534	0.5
133.04141	0.3
133.04948	3.3
133.05890	0.4
133.06401	0.4
133.10045	0.4
135.04323	0.4
135.08052	2.2
135.11664	2.7
137.02327	3.1
137.05975	1.8
137.09560	0.6
137.13188	0.8
139.07495	0.4
139.11118	0.5
140.07004	0.6
141.05446	0.3
143.03374	0.3
145.04936	3.1
145.08566	2.6
147.04375	0.7
147.08029	0.3
147.11610	0.4
148.07532	0.3
149.02309	0.5
149.05951	0.6
149.09570	0.3
151.03880	4.3
151.07491	0.6
153.01804	7.1
153.05324	0.3
153.09030	1.1
153.12730	8.3
154.02119	0.4
154.05615	0.3
155.06987	0.5
155.10616	0.3
155.14293	1.5
157.06496	0.4
161.05951	4.7
161.09578	1.7
163.03828	1.1
163.06000	0.4
163.07465	0.6
164.04221	0.3
165.01778	2.0
167.07025	1.6
167.10611	0.6
171.13783	5.0
173.05888	0.4
174.06679	0.4
175.07515	0.5
177.05417	0.5
177.12614	0.4
179.03302	0.7
179.05530	0.5
181.08545	0.6
183.02827	0.8
183.04300	0.4
187.03928	0.4
189.09087	3.4
191.03351	0.3
191.04895	0.3
191.06877	0.5
195.13687	0.6
197.13045	1.9
201.05421	1.7
206.08401	0.3
207.10141	4.7
213.05547	0.5
213.14847	1.5
219.10052	0.3
223.06004	0.3
229.04939	4.4
239.11485	0.4
243.53728	0.3
247.06003	0.5
249.14815	0.3
257.04306	2.2
267.11353	0.6
267.15887	0.8
272.11511	0.5
274.04663	0.9
275.05768	0.3
285.03937	1.3
285.12305	1.2
299.14172	0.3
303.04950	100.0
303.13251	1.7
304.05270	4.3
315.04929	0.4
315.13632	0.5
333.18808	0.5
361.16531	0.8
376.87704	0.3
399.15280	0.4
405.16205	0.4
429.16574	0.6
447.17661	1.6
465.11868	0.5
465.18497	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	465.1037
Annotation	SCHEMBL1155662
Peak:m/z	Relative Intensity
50.23173	0.3
53.03916	0.7
55.01822	2.8
55.05463	0.9
57.03432	4.4
57.07013	1.0
57.07257	0.2
59.04953	1.4
61.02923	2.2
61.75606	0.2
64.46947	0.3
65.03918	0.4
67.05495	2.3
68.99745	0.7
69.03419	8.0
69.03771	0.4
69.07052	1.8
70.06534	0.6
71.01296	1.1
71.04990	2.4
71.61893	0.4
73.02909	4.1
79.05418	1.0
81.03411	3.6
81.07053	1.9
83.04925	0.9
83.08551	0.8
85.02895	14.9
85.06524	1.4
87.04409	1.0
91.03904	0.7
91.05481	1.6
93.03384	0.7
93.07022	2.4
95.04951	2.2
95.08597	6.7
97.02874	6.4
97.06532	1.6
99.04392	1.1
99.08070	1.4
103.03893	0.5
105.06952	0.9
106.02854	0.3
107.04903	1.0
107.08569	2.3
109.02876	3.2
109.06496	2.3
109.10135	2.3
111.00755	0.6
111.04396	0.7
111.08022	1.1
113.05943	0.9
113.08889	0.5
113.09626	7.8
115.03927	2.4
117.06926	0.4
119.04888	0.3
119.08542	0.8
120.08058	0.5
121.02863	1.4
121.06422	1.2
121.10075	0.8
123.04356	0.9
124.03896	0.5
124.04778	0.3
125.02324	0.3
125.09566	0.7
127.03902	4.1
127.07521	0.7
127.11167	1.7
128.06134	0.3
129.06982	0.4
131.04877	0.4
131.06969	0.6
131.08534	0.5
133.04141	0.3
133.04948	3.3
133.05890	0.4
133.06401	0.4
133.10045	0.4
135.04323	0.4
135.08052	2.2
135.11664	2.7
137.02327	3.1
137.05975	1.8
137.09560	0.6
137.13188	0.8
139.07495	0.4
139.11118	0.5
140.07004	0.6
141.05446	0.3
143.03374	0.3
145.04936	3.1
145.08566	2.6
147.04375	0.7
147.08029	0.3
147.11610	0.4
148.07532	0.3
149.02309	0.5
149.05951	0.6
149.09570	0.3
151.03880	4.3
151.07491	0.6
153.01804	7.1
153.05324	0.3
153.09030	1.1
153.12730	8.3
154.02119	0.4
154.05615	0.3
155.06987	0.5
155.10616	0.3
155.14293	1.5
157.06496	0.4
161.05951	4.7
161.09578	1.7
163.03828	1.1
163.06000	0.4
163.07465	0.6
164.04221	0.3
165.01778	2.0
167.07025	1.6
167.10611	0.6
171.13783	5.0
173.05888	0.4
174.06679	0.4
175.07515	0.5
177.05417	0.5
177.12614	0.4
179.03302	0.7
179.05530	0.5
181.08545	0.6
183.02827	0.8
183.04300	0.4
187.03928	0.4
189.09087	3.4
191.03351	0.3
191.04895	0.3
191.06877	0.5
195.13687	0.6
197.13045	1.9
201.05421	1.7
206.08401	0.3
207.10141	4.7
213.05547	0.5
213.14847	1.5
219.10052	0.3
223.06004	0.3
229.04939	4.4
239.11485	0.4
243.53728	0.3
247.06003	0.5
249.14815	0.3
257.04306	2.2
267.11353	0.6
267.15887	0.8
272.11511	0.5
274.04663	0.9
275.05768	0.3
285.03937	1.3
285.12305	1.2
299.14172	0.3
303.04950	100.0
303.13251	1.7
304.05270	4.3
315.04929	0.4
315.13632	0.5
333.18808	0.5
361.16531	0.8
376.87704	0.3
399.15280	0.4
405.16205	0.4
429.16574	0.6
447.17661	1.6
465.11868	0.5
465.18497	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	465.102
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03933	0.7
53.07752	0.2
53.34171	0.2
54.39863	0.2
55.01852	0.7
57.03428	0.9
61.02917	1.5
65.03909	0.4
68.99783	0.6
69.03069	0.2
69.03423	3.4
69.71178	1.3
71.04972	0.3
71.56102	0.2
73.02902	0.5
78.62930	0.2
81.03401	1.9
85.02892	9.9
86.55500	0.2
87.04460	0.4
91.03921	0.6
93.03373	0.3
95.04939	0.3
97.02882	3.9
99.04436	0.4
101.02328	0.2
109.02863	1.3
111.00793	0.5
121.02825	0.9
123.04412	0.4
127.03878	1.8
135.04453	0.2
137.02318	3.6
145.04947	1.7
145.06445	0.2
149.02386	0.3
151.52759	0.2
153.01797	3.9
155.04860	0.3
161.05956	0.5
163.03891	0.5
165.01793	2.2
166.02646	0.2
166.46780	0.2
173.05989	0.5
183.02846	1.0
183.04329	0.4
187.03836	0.3
195.02853	0.2
201.05438	2.0
205.04988	0.2
219.06490	0.3
228.04288	0.3
229.04939	4.7
230.05162	0.3
239.03387	0.4
247.05887	0.9
257.04379	3.3
274.04672	0.5
285.03931	1.4
286.04633	0.2
302.03986	0.2
303.04941	100.0
304.05295	3.5
321.41046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01854	4.9
55.05504	15.3
57.03421	3.0
67.05492	36.9
68.05818	5.3
69.03384	2.8
69.07056	13.3
70.07373	2.4
71.04963	3.4
79.05476	26.9
80.05811	5.4
81.03401	9.3
81.07042	36.0
82.07375	6.9
83.04968	5.9
83.08586	9.2
84.08907	1.7
85.02892	3.3
85.06516	5.1
91.05459	23.3
92.05769	3.9
93.07030	31.8
94.07325	5.5
95.04932	10.7
95.08588	26.5
96.08932	5.0
97.06510	7.4
97.10144	3.3
98.06872	1.6
99.04443	5.1
99.08095	2.1
101.05989	6.2
105.07013	25.8
106.07347	4.6
107.04897	3.8
107.08577	26.8
108.08913	5.0
109.06499	5.5
109.10149	14.1
110.06844	2.0
110.10458	2.8
111.04417	1.8
111.08054	5.7
117.07013	7.5
118.07304	2.5
119.08562	57.3
120.08876	3.3
121.06479	6.4
121.10121	18.3
122.10448	2.7
123.04421	5.4
123.08047	10.0
123.11677	5.1
125.09600	5.3
128.06177	1.8
129.06964	4.5
131.08543	10.9
132.08839	4.2
133.06488	1.7
133.10106	36.8
134.10492	3.4
135.08022	4.3
135.11685	15.4
136.12047	3.7
137.09586	4.1
137.13235	2.1
137.41498	1.8
139.07451	2.4
139.11104	1.7
142.47755	1.5
143.08583	7.7
144.09012	1.8
145.10104	15.4
146.10460	2.9
147.08061	9.8
147.11655	14.6
149.09618	3.4
149.13203	6.4
150.13551	2.0
151.07500	5.1
151.11162	4.9
155.08485	1.9
157.10089	5.6
159.11681	6.1
161.09579	29.0
161.13206	5.7
163.11130	19.2
163.14726	3.2
165.09077	6.2
165.12787	2.2
167.10648	1.7
169.08554	1.8
169.10036	1.7
171.11664	3.8
171.47018	1.6
173.13251	4.2
175.11131	3.8
175.14844	4.5
177.12651	2.6
179.10596	11.6
181.12175	4.0
185.13226	3.5
187.14774	6.3
189.09077	16.6
189.16353	81.9
190.16635	3.4
193.12222	3.9
195.13708	1.9
199.14729	1.5
201.12669	2.0
203.17911	4.8
207.10120	28.8
207.17410	7.9
210.11908	1.8
211.13188	3.2
213.16331	4.5
217.15797	4.3
219.13809	1.5
223.13277	2.6
225.11093	7.4
225.16341	1.7
227.17888	1.6
229.15981	1.7
231.17421	5.1
233.90323	1.6
243.20877	2.2
267.16071	2.3
303.04749	3.4
330.46854	1.6
344.26700	2.2
354.25012	5.7
371.25998	2.2
372.26251	7.3
387.28656	2.4
389.26517	1.7
390.27048	7.9
392.60187	1.6
393.27670	3.4
411.28949	11.8
428.28879	2.1
429.29956	100.0
430.30331	3.4
446.29861	15.7
447.31033	80.0
448.31058	3.5
464.26077	5.0
464.31757	23.5
465.28107	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	464.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
57.03422	1.4
58.47792	0.4
58.79386	0.4
60.04510	0.9
61.02925	0.8
61.43544	0.5
65.03933	1.6
67.05486	0.6
69.03423	6.0
71.04965	1.0
71.25224	0.4
71.25575	0.9
74.06058	0.4
79.01868	0.6
81.03410	8.6
81.07037	0.4
82.03692	0.5
83.04980	0.7
85.02891	6.5
95.04963	6.8
97.02872	6.5
99.04462	1.5
101.05960	0.5
105.07070	0.7
107.05001	0.6
109.02862	5.7
111.04431	1.6
113.06028	2.3
121.02853	100.0
122.03197	1.5
122.05997	0.5
123.04411	1.5
124.07561	0.6
125.02325	0.8
127.03902	6.9
135.04413	0.7
138.05486	0.6
139.03891	22.7
139.07513	0.6
143.03444	0.8
145.04953	1.9
149.05896	0.6
151.03879	1.1
153.01810	33.5
154.02177	0.8
166.08615	1.9
167.07022	1.3
171.02892	6.3
181.04927	0.5
184.06088	1.3
229.07033	0.9
234.98965	0.6
265.07047	11.2
265.14398	0.8
277.03320	0.5
283.08093	30.3
284.08463	1.2
285.12494	0.7
297.05942	3.6
303.01364	1.0
303.13077	0.9
315.07068	5.9
348.51669	0.5
411.09076	0.8
440.27521	0.5
464.17471	2.0
465.15579	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	464.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.5
55.01868	10.4
57.03428	23.3
59.04984	2.9
61.02922	15.9
68.80215	1.3
69.03073	2.8
69.03419	35.6
70.98237	4.2
71.01331	6.0
71.05000	2.4
73.02909	64.2
75.04465	1.7
81.03407	9.4
83.65811	1.3
85.02894	86.1
85.78998	1.5
87.04465	8.0
91.03931	4.6
93.07021	1.6
95.04967	1.4
97.02883	62.4
97.03511	3.0
99.04433	4.8
103.03913	3.8
103.05437	1.6
104.60358	1.4
105.06985	1.9
107.04913	1.4
109.02845	7.5
112.28752	1.3
115.03919	30.3
120.08090	2.2
120.45827	1.3
121.02849	68.6
122.03154	3.0
127.03901	31.7
133.04950	48.0
133.06474	2.3
134.05319	2.0
139.03835	1.6
140.07019	1.8
145.04938	38.9
151.03893	1.5
153.01816	5.2
153.05449	100.0
161.05876	1.9
163.06010	14.2
167.07072	2.3
177.78139	1.4
178.06171	1.7
193.04866	1.9
193.08601	3.3
195.06537	1.6
199.06020	3.0
223.05980	5.8
239.11824	3.5
241.07153	8.8
243.08746	2.0
259.08121	6.0
267.11270	4.6
268.11996	1.4
277.09219	2.4
285.12311	4.2
303.04935	18.0
303.13345	7.4
315.13321	5.1
378.15204	2.5
445.44736	1.5
446.16461	2.2
447.17514	4.2
464.17352	7.5
465.18506	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	463.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.8
55.05508	27.5
56.38745	3.0
57.07070	19.1
58.62135	3.6
62.23417	3.0
65.03951	3.7
67.05502	32.3
69.07059	48.2
71.08623	8.3
71.63668	5.5
78.68262	3.3
79.05464	15.6
81.07051	87.0
83.04974	7.9
83.08606	32.6
85.10191	3.4
91.05463	10.5
93.07041	26.4
95.04964	4.8
95.08597	63.2
97.10181	18.9
97.10688	3.2
105.06997	9.6
107.08558	17.7
109.06518	9.4
109.10139	28.0
111.04435	11.9
111.08082	3.6
111.11701	18.1
113.06001	8.7
114.11143	3.0
117.07007	3.5
118.14048	3.2
119.08592	11.4
121.10152	17.5
123.08046	7.5
123.11685	19.1
125.05958	7.6
125.09482	3.3
125.13280	5.1
127.03925	5.7
131.03406	3.1
133.10117	10.9
135.08067	3.9
135.11696	11.4
137.05965	100.0
137.09558	4.7
137.13243	5.7
139.07504	4.2
143.08549	4.8
145.10114	6.7
147.08037	3.4
147.11691	8.0
149.09615	5.0
149.13228	10.2
151.03902	15.3
151.07513	17.4
151.14801	4.4
153.05501	3.8
157.10133	4.4
159.11705	11.1
161.13264	7.6
163.07642	3.2
163.14806	3.8
165.09094	6.4
165.16455	3.7
169.04977	12.8
169.08543	15.1
171.11740	4.5
171.24423	3.2
173.13187	3.1
175.11189	13.9
177.12720	4.3
181.04968	5.8
182.92822	3.2
189.12878	4.1
191.10628	4.4
193.12248	12.4
195.13826	4.5
201.12683	4.2
205.12405	3.9
221.15289	5.7
225.33528	3.3
229.15776	4.8
229.71040	3.0
235.16946	4.2
261.18292	4.5
263.20001	4.4
305.17517	5.1
319.18979	7.0
338.40256	3.6
383.32877	9.5
399.32330	5.1
401.34103	9.8
427.32083	5.9
445.33078	21.1
463.30511	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05322	1.2
55.01859	3.4
55.05501	9.1
57.07068	17.9
62.91430	1.1
67.05502	5.4
69.07060	18.3
71.08625	14.1
71.63569	1.2
78.86768	1.2
79.05487	6.4
81.03388	1.9
81.07046	10.5
83.08614	11.1
85.10172	7.0
91.05476	3.7
93.07008	3.4
95.04955	3.2
95.08602	6.0
97.02895	4.1
97.10155	6.9
99.04421	1.4
99.11754	1.5
101.86646	1.3
105.03379	3.5
105.07014	3.7
107.04944	11.5
107.08584	3.9
109.02863	7.0
109.06518	1.6
109.10147	3.9
111.04404	2.7
111.11710	5.7
115.03943	1.1
119.08546	2.3
121.06498	2.7
121.10130	1.4
123.04405	4.3
123.08031	2.0
123.11710	2.4
125.02346	16.4
125.06014	1.7
125.13284	1.5
131.08571	1.8
133.02840	5.0
135.04414	13.3
135.11693	1.3
137.05954	3.3
137.13206	2.0
141.05467	1.4
146.10870	1.4
147.08014	2.9
147.11540	1.5
149.05992	1.5
149.09593	1.7
151.03894	18.2
153.05482	6.8
159.11656	1.4
160.03633	1.2
161.02347	10.3
163.07468	1.7
163.94037	1.1
165.05458	3.0
165.09093	1.6
167.03416	2.7
167.07042	1.6
169.04898	2.5
175.07553	1.6
177.09105	1.5
177.12633	1.5
179.03372	13.7
179.06958	2.8
185.04472	6.1
189.09224	1.4
191.10684	1.7
193.08571	1.4
197.04436	100.0
203.10620	1.5
208.10295	1.2
211.06078	6.4
221.11595	1.3
225.07555	3.7
238.07115	2.2
239.09055	3.9
253.10692	5.3
267.12204	4.8
281.13818	4.5
295.15390	4.3
309.16940	5.2
323.18542	5.2
337.19925	5.2
351.21664	3.4
365.23297	3.8
379.24783	3.4
393.26205	4.5
403.35437	3.8
407.27664	3.3
417.33380	1.8
431.34756	1.3
445.36649	2.2
463.34085	37.4
464.34192	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01860	4.2
55.05500	11.3
57.07072	15.4
65.03944	3.0
67.05488	7.5
69.07051	22.0
70.22898	9.5
71.08624	15.2
79.05479	7.8
81.07054	15.4
83.08607	10.6
85.10164	7.5
91.05509	3.9
93.07020	6.2
95.04967	4.8
95.08616	9.6
97.02880	5.2
97.10144	8.2
98.90273	1.7
105.03390	3.7
105.07021	4.3
107.04951	12.3
107.08580	5.2
109.02116	2.4
109.02869	9.6
109.06498	4.5
109.10138	5.9
111.11681	4.7
115.03905	3.3
119.08533	4.3
121.06421	2.3
121.10145	3.3
123.04403	2.6
123.11696	2.4
125.02322	16.7
125.13306	2.0
131.08569	2.2
133.02853	5.4
133.45091	1.6
135.04382	14.4
135.08031	3.6
135.11728	2.0
137.05943	5.1
139.03848	2.1
145.10080	3.9
147.07997	2.2
149.09520	1.7
151.03876	15.1
153.05417	5.5
161.02301	13.5
161.13263	2.2
165.05466	4.5
167.03371	2.5
169.04832	2.3
171.23982	1.7
175.11214	2.0
179.03314	12.8
179.07019	2.6
181.04988	1.9
185.04375	6.5
189.08974	2.6
197.04424	100.0
211.05980	8.0
238.07132	2.4
239.09065	6.4
253.10643	4.4
267.12210	5.3
279.29099	2.2
281.13791	3.0
309.17038	4.9
323.18411	3.8
337.19925	5.8
351.21426	4.8
365.23450	2.6
379.24750	2.8
393.26263	3.3
399.32721	1.8
463.34125	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34245	1.8
53.03921	2.4
55.01854	2.3
55.05503	25.0
57.03425	5.8
57.07067	12.2
59.04983	2.1
59.49480	2.0
61.02907	3.1
61.98907	1.9
65.03930	2.6
66.92025	2.2
67.05169	2.4
67.05500	33.4
69.03405	10.9
69.07059	55.5
71.04986	14.3
71.08626	5.0
71.62895	3.5
73.02912	2.9
74.55321	1.8
76.79585	1.8
79.05484	13.9
81.03400	7.4
81.07045	86.5
83.04961	5.5
83.08611	29.9
85.02900	26.4
85.06531	17.6
85.10157	1.9
91.05453	11.3
93.07032	33.7
95.01321	2.2
95.04941	7.4
95.08597	100.0
97.02859	6.7
97.06485	4.6
97.10159	20.3
99.04456	4.8
99.08078	7.2
100.11287	2.0
105.07036	13.4
107.04923	5.9
107.08578	43.5
109.02879	5.8
109.06496	5.8
109.10143	85.4
111.04417	2.9
111.08075	3.6
111.11703	12.6
113.09609	10.1
116.07101	2.1
117.06993	4.4
119.08578	11.2
121.02860	4.5
121.06464	4.0
121.10121	30.4
123.04433	3.7
123.08020	5.5
123.11690	40.2
125.09608	4.6
125.13267	5.9
127.03902	5.0
127.07507	3.3
127.11170	2.5
131.08549	3.6
133.06458	2.0
133.10117	15.1
134.10435	5.4
135.08025	3.6
135.11674	29.4
136.12042	1.9
137.05933	15.6
137.09584	7.8
137.13228	34.7
139.11168	8.7
140.10638	2.5
143.08551	2.7
145.04890	2.8
145.06458	2.8
145.08554	5.0
145.10110	6.7
147.08057	3.3
147.11681	5.3
149.05899	3.5
149.09627	4.0
149.13229	17.3
151.07498	6.2
151.11162	2.8
151.14793	11.6
153.01807	7.1
153.12723	3.3
155.10632	2.3
159.11664	3.9
161.05989	4.1
161.09569	5.5
161.13263	2.3
163.11198	4.2
163.14772	14.8
165.05487	2.3
165.09120	4.7
165.12743	2.4
165.16408	14.6
167.07016	11.0
169.15749	2.3
173.13168	3.1
175.14799	3.1
177.09134	4.1
177.16359	19.1
179.14328	2.2
181.04871	2.6
183.17447	7.4
187.11084	2.4
187.14845	2.2
189.09079	4.5
191.17917	24.1
193.12173	2.0
195.10068	2.9
197.11674	2.1
203.14476	2.0
205.19479	3.9
206.04483	2.9
207.10176	2.7
209.08041	2.1
209.19006	4.4
247.24173	43.6
258.05228	5.4
265.25241	56.2
283.26266	30.1
285.03979	11.0
286.04706	45.9
287.05377	11.3
287.12534	2.4
295.26202	2.5
300.09454	2.2
301.07010	79.1
301.09616	2.8
302.07245	10.7
317.06540	8.1
391.15134	2.1
463.16843	3.2
464.17828	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3048
Annotation	Hyousterone D
Peak:m/z	Relative Intensity
50.90031	1.4
53.03926	2.1
55.01862	2.4
55.05499	12.6
57.07059	3.2
67.05493	21.5
69.03421	5.1
69.07060	13.2
69.57643	7.3
69.58049	3.5
71.04968	2.2
72.16673	1.4
79.05472	14.9
81.03403	6.8
81.07045	45.1
83.04968	4.1
83.08602	5.8
85.02900	1.7
85.06528	35.7
85.30946	1.3
91.05453	15.6
93.07022	25.5
95.04937	7.8
95.07979	2.0
95.08585	37.3
96.08926	1.6
97.06507	6.8
97.10163	2.8
99.04453	4.0
99.08044	1.9
101.05991	3.2
105.07015	28.5
105.07681	2.8
107.04936	4.3
107.08573	31.0
109.06491	23.5
109.10132	23.8
111.04485	2.8
111.08060	6.3
111.11700	1.7
117.06982	5.8
119.08556	63.0
121.06452	4.3
121.10124	26.5
123.08073	4.9
123.11694	10.0
125.05999	2.1
125.09629	3.3
127.07529	40.4
128.06195	1.6
129.06976	2.2
131.08517	10.8
133.06485	2.1
133.10110	41.8
135.04431	2.0
135.08046	6.7
135.11674	11.7
137.05930	8.9
137.09608	5.5
139.07512	3.7
142.07776	2.1
143.08563	6.7
145.06419	1.9
145.10101	23.6
147.08034	3.2
147.11659	22.0
149.09587	5.4
149.13197	6.9
151.07533	5.9
151.11156	4.9
153.12762	2.2
155.07050	2.9
155.08490	3.0
157.10104	12.9
158.10922	2.5
159.11662	23.6
161.05949	1.8
161.09589	4.5
161.13199	11.6
163.07538	3.2
163.11172	5.1
163.14801	3.2
165.09081	15.9
165.12706	2.3
167.07137	2.7
169.10152	4.6
171.08084	2.3
171.11688	11.2
173.09605	3.6
173.13255	18.3
174.13713	1.6
175.11197	6.3
175.14796	73.7
177.09138	1.6
177.12761	3.0
177.16382	3.4
179.10703	3.8
181.08495	2.6
181.10017	1.9
181.12265	2.9
183.11673	6.1
184.12534	1.6
185.09637	2.0
185.13237	10.7
186.13980	1.9
187.11195	4.2
187.14743	9.0
189.12720	3.8
189.16325	14.4
191.10713	3.2
191.14270	2.4
191.17897	2.9
193.12212	4.0
193.15884	2.9
195.11665	1.7
197.11705	1.8
197.13226	7.6
199.09486	2.7
199.14774	9.5
201.12740	4.5
201.16341	32.0
203.14349	2.1
203.17920	30.4
203.19725	2.3
205.12178	2.8
205.15828	4.0
207.13741	2.4
209.11555	2.4
209.13307	3.6
211.14835	4.0
213.12682	1.7
213.16351	7.3
215.10852	1.8
215.14339	4.7
215.17944	3.7
216.15067	9.8
217.12245	2.1
217.15898	2.2
217.19547	4.6
219.13739	2.1
221.11656	2.6
223.14952	2.5
225.16351	4.1
227.17995	5.1
229.15865	2.2
230.16519	3.2
233.15288	2.1
235.13097	3.0
239.17975	5.6
243.20996	2.2
245.15410	1.9
245.18944	2.4
253.14339	3.5
254.20238	6.0
255.21146	5.2
269.15247	2.2
271.20505	3.4
272.21246	2.1
273.22086	2.7
279.15900	8.6
301.21655	2.3
305.17548	2.5
319.24219	2.0
331.19073	2.8
335.18839	1.9
357.20859	2.7
363.26886	1.7
364.23816	1.6
371.22247	2.1
381.28009	3.8
389.23019	12.1
391.26199	4.8
392.68097	1.9
399.29163	1.9
403.24664	8.0
409.27417	9.7
417.27570	7.4
427.28384	100.0
428.28760	3.4
445.29538	63.6
446.29547	2.2
463.17435	3.5
463.27902	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50480	1.4
53.03932	6.1
55.01856	5.0
55.05299	1.5
55.05506	18.1
57.03424	2.5
57.07047	3.0
65.03934	2.0
67.05493	28.3
69.03408	5.8
69.07056	18.2
69.47240	13.2
71.04979	4.4
73.30924	1.4
73.37984	1.3
79.05484	21.0
81.03412	15.8
81.06575	2.6
81.07049	35.3
83.04948	7.8
83.08605	9.9
85.02873	3.0
85.06518	5.9
91.05462	27.9
93.07034	64.2
95.04968	21.2
95.08597	35.1
97.06533	13.9
97.10160	5.0
99.04428	4.6
99.08080	3.7
101.05983	3.9
103.05454	1.6
105.04460	2.0
105.07013	27.8
106.61185	1.6
107.04930	6.1
107.08588	50.8
109.02838	2.1
109.06496	17.7
109.09451	2.3
109.10143	30.5
111.04418	2.3
111.08067	19.0
113.05946	2.3
113.09683	2.0
117.06985	5.4
119.08570	39.8
121.06487	22.7
121.10136	28.8
123.08054	9.2
123.11684	12.2
125.05933	1.5
125.09600	10.9
127.03871	2.0
127.07536	2.8
129.06964	5.5
130.07774	2.2
131.04852	1.4
131.08530	16.4
133.06493	3.3
133.10114	34.5
135.08061	6.1
135.11682	14.1
137.05957	3.9
137.09586	8.2
137.13272	4.2
139.07535	20.6
139.11122	1.6
142.07771	2.5
143.08548	6.5
144.09341	1.8
145.06580	1.7
145.10103	22.3
147.08017	4.3
147.11661	20.0
149.09615	9.5
149.13257	9.4
151.07547	3.2
151.11156	12.1
153.12646	1.8
155.05910	1.8
155.08513	2.5
157.08832	2.4
157.10115	15.7
158.10863	1.9
159.11690	28.2
161.06070	2.4
161.09583	5.8
161.13242	12.4
163.07545	2.1
163.11165	9.1
165.09114	4.3
165.12770	13.0
167.07010	3.4
169.10083	4.7
171.11667	14.6
172.12482	1.6
173.09570	4.2
173.13255	25.5
175.07686	1.7
175.11157	5.0
175.14821	10.6
177.09213	2.0
177.12698	4.5
177.16389	2.3
179.10732	2.9
181.10074	1.8
181.12303	1.5
183.11690	8.0
185.13261	7.5
187.11229	2.6
187.14793	14.3
189.08844	1.9
189.12727	6.0
189.16335	9.0
191.10654	4.1
191.14224	3.4
193.08528	2.0
193.12215	5.3
193.15958	1.8
195.13789	2.1
197.13261	5.8
199.11151	3.0
199.14813	6.9
201.12802	6.1
201.16364	8.0
203.10689	1.7
203.14302	7.0
207.13718	2.0
207.35837	1.6
209.11646	4.0
211.14813	3.8
213.12746	2.9
213.16354	13.5
215.14334	2.7
215.17870	3.2
217.12112	2.2
217.15836	2.1
219.13763	8.8
219.17390	3.5
221.13324	1.9
221.15259	2.7
223.14948	1.9
227.12634	2.3
227.17911	4.8
228.18642	1.8
229.15935	3.5
229.19466	36.8
231.13763	3.2
231.17378	17.2
243.21024	6.0
245.18994	3.8
247.20503	14.0
249.14862	2.1
253.14154	8.0
253.19472	8.0
263.20139	2.7
271.20554	36.4
287.05453	3.4
289.21622	26.3
301.11774	5.0
301.21692	2.3
306.21747	2.8
307.22632	70.8
367.26450	2.9
373.25089	2.0
381.27850	3.8
391.26108	4.4
399.29178	2.7
403.28476	3.2
409.27319	20.7
423.94778	1.9
427.23270	2.4
427.28452	29.0
445.24841	4.8
445.29297	12.8
463.30875	100.0
464.30869	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	463.3062
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03931	2.8
55.01862	3.5
55.05502	19.8
57.03426	7.3
57.07062	3.1
65.03931	3.4
67.05495	80.3
68.05833	4.2
69.03425	2.1
69.07056	26.5
69.45923	7.6
70.07389	1.4
71.01357	1.5
71.04986	8.1
71.08619	0.9
73.02904	1.2
79.05480	43.5
81.03414	6.6
81.07045	95.9
82.07386	2.9
83.04979	10.2
83.08603	17.6
85.02914	1.4
85.06525	5.9
89.82599	0.8
91.05465	25.1
92.05796	1.5
93.07028	73.4
93.81892	0.8
94.07360	3.8
95.04947	8.6
95.08594	35.7
96.08933	4.8
97.02891	0.9
97.06520	13.3
97.10172	3.7
99.04453	1.3
99.08076	4.8
105.04524	0.9
105.07014	12.4
106.07374	2.0
107.04964	1.9
107.08580	43.2
108.08904	5.5
109.06499	4.9
109.10139	21.3
110.10472	10.3
111.08066	10.4
111.10856	1.4
111.11744	1.2
115.91006	0.8
117.07002	9.4
119.06137	0.7
119.08553	12.8
120.08878	3.9
120.54469	0.8
121.06522	2.8
121.10124	28.4
122.10460	3.8
123.08092	2.7
123.10875	1.4
123.11658	5.1
124.11999	1.0
125.09639	2.5
127.11220	3.2
128.11526	2.0
129.07034	1.4
131.08549	13.0
132.08891	1.3
133.10104	13.2
134.10471	2.9
135.08060	2.2
135.11662	18.7
136.12041	2.8
137.09598	5.4
137.13280	1.0
138.09918	4.4
139.07497	1.2
139.10243	1.0
139.11227	2.4
143.08508	2.1
145.10106	4.0
146.10469	1.9
147.11674	6.5
148.12062	2.4
149.09700	1.4
149.13239	46.4
150.13588	2.0
151.11250	1.6
153.09113	1.1
157.10231	1.8
159.11662	17.0
160.12047	1.8
161.13277	3.3
162.13620	2.4
163.11218	2.4
165.12721	1.0
167.14259	1.5
169.08626	0.8
169.10049	0.9
173.13281	3.1
174.13673	0.9
175.14893	2.0
176.15208	1.1
177.12752	10.3
185.13252	1.4
187.14888	1.5
188.15173	1.1
189.12747	0.9
189.16418	2.4
190.16685	1.9
191.18008	1.0
192.14792	1.1
192.18375	1.6
193.18738	0.8
195.13783	19.4
199.14796	0.9
199.83403	0.8
201.16481	2.1
202.16759	1.6
203.18069	1.0
204.18344	2.9
205.15952	0.9
205.18620	1.0
206.16310	0.8
213.14899	3.7
217.19580	1.9
218.19907	2.4
219.20154	1.4
234.19315	1.5
253.14235	1.0
269.17654	1.2
272.24771	0.9
285.10101	1.0
289.25397	1.5
290.25760	2.2
291.25943	1.7
338.47128	1.0
371.25983	0.9
409.33957	2.8
427.29660	1.4
427.34952	7.7
430.48911	0.9
445.29489	2.8
445.36172	4.9
463.30667	100.0
463.37006	16.5
464.31046	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	463.3047
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02336	0.7
53.03928	4.6
55.01876	3.5
55.05504	17.2
57.03427	7.0
57.07063	2.9
65.03925	2.9
67.05494	67.8
69.03397	0.8
69.07057	24.4
69.50114	3.4
69.50546	2.1
71.01348	1.0
71.04979	4.9
77.03932	0.7
79.05482	46.4
81.03407	4.2
81.07046	86.7
82.37416	0.6
83.04968	8.0
83.08607	15.8
85.06539	5.4
85.86449	0.7
88.22289	0.7
90.49292	0.7
91.04881	1.0
91.05466	22.9
93.07032	67.5
93.91076	0.7
95.04948	7.9
95.08592	21.9
96.08944	0.6
97.06514	13.3
97.10147	2.4
98.12254	0.7
99.04482	0.7
99.08071	5.0
105.04508	0.9
105.07017	8.3
107.04948	2.4
107.08579	38.0
109.06491	3.8
109.10152	4.5
111.08053	7.3
113.05993	1.3
113.09612	1.5
114.59284	0.7
115.05442	0.7
117.07005	8.5
118.06541	0.7
119.08544	3.9
121.06525	0.7
121.10125	20.6
123.11688	2.0
125.09651	1.6
131.08559	9.5
133.10109	7.3
135.08070	2.1
135.11664	11.6
139.11183	2.4
144.09326	0.8
145.10104	1.6
147.11633	1.6
149.13239	41.9
159.11671	16.5
163.11162	1.5
165.12694	1.0
167.14342	1.0
168.76221	0.6
177.12712	8.1
195.13770	18.1
213.14920	2.2
217.76929	0.6
219.13849	1.6
227.12863	1.2
251.16273	1.3
445.25049	0.7
449.20438	0.7
463.30600	100.0
464.30969	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3047
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02365	0.8
53.03934	3.0
55.01861	3.1
55.05503	16.0
57.03433	8.0
57.07066	3.0
58.06297	0.6
59.04980	0.6
65.03925	2.5
67.05493	66.0
68.05828	0.6
69.03412	1.2
69.07053	23.4
70.68037	2.1
71.01341	1.1
71.04967	4.2
73.02905	0.9
77.03858	0.7
78.09540	0.7
79.05479	42.4
81.03405	3.8
81.07043	79.6
82.07365	1.2
83.04967	7.1
83.08604	16.1
85.02890	0.8
85.06533	5.1
91.05464	25.0
92.05783	0.6
93.07027	66.4
94.07375	1.5
95.04953	7.7
95.08589	23.0
97.06512	12.7
97.10160	2.0
99.04459	1.4
99.08094	3.2
105.07014	11.5
107.04946	1.6
107.08578	33.8
109.06488	3.4
109.10134	7.2
111.08067	8.6
113.05991	0.7
115.05438	0.9
117.06986	8.7
119.08547	6.5
121.06513	1.8
121.10120	21.3
123.08069	1.5
123.11717	2.2
125.09631	2.1
127.07565	1.0
129.07001	1.6
131.08546	10.4
133.10112	12.4
135.08076	3.2
135.11671	10.4
137.09595	1.0
139.11186	2.3
143.08606	0.9
145.10085	2.7
147.08099	0.7
147.11688	4.0
149.09636	1.3
149.13235	37.7
151.11212	2.3
153.09056	0.7
157.10126	1.6
159.11662	17.7
161.09668	1.1
161.13255	1.6
163.11189	1.1
165.12738	0.7
165.14212	0.6
167.14330	1.7
169.10112	0.8
171.11620	0.9
175.14856	0.8
177.12695	9.6
183.11656	0.8
185.13335	1.1
187.14845	0.9
189.12750	0.7
189.16425	0.7
193.12251	0.9
195.11990	1.0
195.13776	17.8
201.16414	0.6
211.13260	0.9
213.14801	4.4
219.13879	0.9
227.12758	1.3
237.75661	0.6
246.89439	0.6
251.16356	1.3
253.14325	1.4
287.05359	0.8
343.26263	0.7
371.25595	1.0
399.28937	0.7
409.27328	0.9
427.28094	1.5
445.29327	2.4
463.30609	100.0
464.30902	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	463.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07221	0.7
53.03939	3.3
55.01867	3.7
55.05506	16.0
57.03432	5.5
57.07065	3.2
65.03942	2.7
67.05495	73.1
68.05818	0.7
69.03397	1.7
69.07059	24.9
71.01361	0.8
71.04983	5.3
71.21418	1.8
71.89704	0.7
73.02892	1.5
79.05480	43.8
81.03406	7.5
81.07044	90.1
83.04961	6.8
83.08608	15.9
85.06551	5.0
91.04887	1.1
91.04986	0.5
91.05467	30.5
93.07030	66.0
95.04956	10.1
95.08596	22.8
97.06516	11.6
97.10153	2.4
99.04456	1.2
99.08095	3.4
101.05988	1.2
105.07018	14.9
106.38911	0.8
107.04936	2.6
107.08575	38.5
109.06525	3.5
109.10135	7.1
111.08061	8.4
113.09648	1.0
117.06990	9.8
119.08566	7.3
121.06531	2.5
121.10124	20.1
123.08064	1.8
123.11654	3.8
125.09641	1.9
127.07529	1.1
129.07042	1.2
131.08536	13.1
133.10114	13.7
135.08067	2.8
135.11664	11.4
137.09575	1.2
139.07458	1.1
139.11165	1.3
143.08594	2.1
145.10136	3.4
147.11702	3.3
147.35832	0.8
149.09631	1.7
149.13231	36.5
151.11214	3.4
157.10173	2.1
159.11682	14.9
163.11221	2.1
165.12723	1.4
167.14360	1.0
171.11746	1.3
173.13231	1.7
177.12720	6.6
189.09326	0.8
189.16420	1.8
191.10666	0.8
193.12241	1.9
195.13791	22.6
213.13081	0.8
213.14740	3.8
227.47397	0.9
233.15373	1.1
253.14531	3.0
287.05618	1.7
353.24927	1.7
371.25998	2.6
389.27051	2.3
427.68372	0.7
445.29971	6.2
463.30649	100.0
464.31430	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	463.3049
Annotation	Lucidenic acid M
Peak:m/z	Relative Intensity
53.03923	6.6
55.01860	8.0
55.05503	34.3
57.03431	7.1
57.07066	5.4
59.04972	5.4
65.03913	4.1
65.89500	3.1
67.05167	4.8
67.05499	70.4
67.05859	3.9
69.03403	3.3
69.06770	2.9
69.07059	34.2
70.67773	5.4
70.68100	3.7
71.04980	7.4
79.05485	52.1
81.03400	11.7
81.07047	79.9
82.07378	2.9
83.04980	17.1
83.08603	9.4
85.06548	7.7
91.05466	37.0
92.05772	2.9
93.07030	74.2
95.04969	16.1
95.08041	5.0
95.08592	57.0
95.71285	2.6
97.02847	4.1
97.06499	10.6
97.10130	9.5
99.04456	11.6
99.08081	4.5
101.06012	7.1
103.16463	2.8
105.07023	68.1
106.07346	3.9
107.04929	10.6
107.08579	79.5
109.06498	10.2
109.10140	30.1
111.08056	9.6
113.06017	2.8
117.07004	14.3
119.08561	66.9
121.06482	9.7
121.10127	48.1
122.30589	2.8
123.08041	13.2
123.11669	15.1
125.05966	4.1
125.09592	7.4
127.07468	3.3
129.06955	7.3
131.08551	31.7
133.10109	57.4
135.08029	11.5
135.11688	53.0
137.06021	5.6
137.09578	7.9
137.13266	4.0
139.07544	3.7
139.11143	4.1
143.08531	14.7
145.10109	50.2
147.08046	8.0
147.11679	88.8
149.09612	10.3
149.13246	35.8
151.07538	3.3
151.11176	7.4
156.09335	3.5
157.06497	2.9
157.10103	13.8
158.10957	3.0
159.11681	36.4
161.09619	9.2
161.13249	31.8
163.11166	23.3
163.14795	8.7
165.09001	5.4
165.12732	20.9
169.10118	5.1
171.11678	11.5
173.09616	5.4
173.11763	5.0
173.13237	70.4
175.11218	18.9
175.14812	31.0
177.12721	18.1
179.10628	3.9
181.12192	11.7
183.11694	4.5
185.13179	7.2
187.11089	3.9
187.14827	16.5
189.12714	15.4
189.16382	12.0
191.10568	5.3
191.14342	18.0
193.12225	25.0
195.12039	3.8
195.13754	18.8
199.14792	16.0
200.91020	2.8
201.12718	8.0
201.16394	8.2
203.14253	3.4
205.12253	5.4
207.13783	31.3
209.11636	8.9
209.15350	9.3
215.14352	5.1
217.15912	6.2
219.13791	37.4
225.16403	3.7
227.12741	6.8
231.17267	3.3
233.15373	5.5
237.14813	85.7
245.15335	7.3
249.18486	17.7
255.15811	4.4
263.16382	6.6
281.17459	6.3
287.05292	3.3
308.08261	3.3
333.15704	3.2
345.25760	3.7
353.24380	4.4
359.32581	3.2
363.26785	5.4
381.27963	28.6
391.26242	8.1
399.28812	21.3
409.27451	18.1
417.29962	7.2
427.28436	72.7
428.28427	5.2
445.29599	100.0
446.29578	3.4
463.31158	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	463.3049
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03928	4.0
55.01857	3.2
55.05507	15.1
57.03434	8.8
57.07059	2.7
65.03922	3.1
66.00944	1.0
67.05495	67.9
69.03423	1.5
69.07060	23.9
70.80589	2.8
71.01334	0.9
71.05000	4.7
71.08623	0.9
79.05482	48.0
80.05810	1.3
81.03405	3.6
81.07047	83.8
82.07354	0.9
83.04961	7.4
83.08612	15.1
85.06534	6.3
91.05469	34.6
93.07032	61.0
95.04958	7.3
95.08594	25.9
97.06510	10.8
97.10159	1.8
99.08079	3.3
105.07022	20.7
107.04939	2.5
107.08582	36.3
109.06498	3.9
109.10140	6.8
111.04473	0.9
111.08067	8.0
113.06017	1.0
113.09653	1.7
115.05416	1.1
117.07001	14.2
119.08561	12.2
121.06492	3.1
121.10129	19.6
123.08028	2.4
123.11703	2.8
124.04686	1.0
125.09623	1.5
129.06993	5.3
131.08553	18.9
131.09492	1.3
132.08910	1.0
132.44081	1.1
133.09195	1.6
133.10124	14.3
135.08054	3.0
135.11685	10.2
139.11157	1.1
141.06972	1.7
141.31682	1.0
143.08562	4.0
145.10092	7.2
147.11649	4.8
149.09612	3.3
149.13239	38.9
151.11179	1.8
155.08524	2.1
157.10097	3.3
159.08069	1.3
159.11678	16.4
161.13237	1.5
163.11226	1.3
165.12791	1.2
169.10094	2.7
171.11691	3.1
173.09560	1.3
173.13289	1.5
175.14894	1.3
177.12718	8.1
181.10136	1.2
183.11690	1.7
185.13284	1.5
187.14774	2.1
195.11995	1.2
195.13780	17.7
197.13277	1.3
199.14877	1.1
201.12701	1.0
209.13239	2.4
211.14912	1.2
213.14864	3.5
217.41684	0.8
241.15981	1.0
247.17000	1.7
256.01617	1.1
273.18353	1.0
287.05447	1.5
296.95834	0.9
325.25211	1.6
335.23758	1.6
343.26248	2.8
353.24866	6.7
371.25821	8.3
378.73560	1.0
389.26865	10.3
436.09598	1.1
445.29333	24.7
446.29910	1.3
463.30527	100.0
464.30795	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	463.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10670	0.9
52.17691	0.7
53.03935	3.9
55.01855	3.8
55.05254	1.6
55.05503	21.8
57.03427	9.1
57.07063	3.4
65.03930	1.6
67.05498	81.0
67.62021	1.0
67.79948	0.9
69.03422	1.0
69.07059	28.3
71.04976	6.3
73.02886	1.3
79.05482	53.0
81.03408	3.7
81.07047	92.9
81.55120	1.1
82.07384	1.1
83.04974	7.6
83.08604	17.7
85.02914	1.2
85.06546	6.2
91.05470	29.7
93.07032	72.4
95.04948	10.7
95.08595	27.2
97.06522	11.5
97.10172	3.0
99.04434	1.5
99.08064	4.4
105.04546	1.2
105.07017	15.7
107.04948	2.1
107.08577	43.5
108.08946	1.5
109.06495	5.4
109.10123	7.7
111.08072	7.1
111.11710	1.1
113.09645	1.4
117.06995	11.7
119.08575	9.1
121.06481	3.3
121.10130	25.6
123.08051	2.2
123.11703	3.0
125.09631	1.4
127.07570	1.7
129.06960	1.8
131.08565	13.5
133.10112	11.7
135.08090	2.1
135.11667	15.3
137.06084	1.0
137.09639	1.4
138.43697	0.8
139.11140	2.3
143.08569	2.1
145.10121	4.5
147.11653	4.2
149.09711	1.6
149.13240	49.1
151.11176	2.2
153.09138	1.3
157.10147	1.7
159.11678	20.8
161.13231	1.0
161.77892	0.9
163.11166	2.6
167.14333	1.3
169.10197	1.0
171.11653	1.3
173.13287	2.6
175.11162	1.8
177.12729	19.1
177.14212	1.6
178.13029	1.0
191.14319	2.0
193.12370	1.3
195.13786	18.7
209.15393	2.4
213.14792	5.8
219.13841	2.2
227.12839	1.2
229.37149	1.2
251.16458	2.0
309.04361	1.1
323.97656	1.1
353.24872	1.5
371.25854	2.2
389.26746	1.7
417.30142	2.8
427.28360	1.9
428.28534	1.2
445.29663	13.3
463.30637	100.0
464.30872	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	463.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.9
55.01859	5.2
55.05251	3.1
55.05500	31.3
57.03429	10.2
57.07060	4.9
65.03916	3.1
67.05493	91.0
68.05813	1.7
69.03431	2.7
69.07059	34.7
70.78020	2.1
70.78354	4.0
71.04976	6.6
74.58340	2.0
77.34041	1.8
79.05479	67.3
81.03392	8.1
81.07045	99.0
82.07365	2.1
83.04955	7.9
83.08601	16.0
85.06520	8.0
85.65746	1.7
89.03869	2.0
91.05467	76.3
92.05812	2.0
93.07030	75.9
95.04961	17.3
95.08585	56.1
97.06509	12.9
97.10155	8.5
97.47714	1.6
99.00787	2.4
99.08053	4.0
103.05434	2.1
105.07014	66.1
106.07371	2.0
107.04935	7.8
107.08576	48.7
109.06490	12.3
109.10131	26.6
110.10397	2.6
111.08065	7.3
115.05448	4.2
117.07002	35.0
119.08567	48.1
121.06495	9.5
121.10117	25.8
123.08031	6.8
123.11702	5.0
125.09598	4.9
128.06212	7.0
129.06990	21.5
131.08551	59.9
133.06468	4.3
133.10115	33.4
135.08029	7.2
135.11659	19.8
137.09618	6.0
137.13266	2.4
139.11105	2.7
141.06953	8.2
143.08525	23.9
145.02849	4.3
145.06464	4.3
145.10095	33.9
145.11143	3.3
147.08015	5.8
147.11662	13.2
149.05893	1.7
149.09576	7.9
149.13234	19.0
151.11127	4.1
154.07837	1.9
155.08569	11.3
157.10095	15.5
159.08015	3.1
159.11661	21.2
161.09567	3.8
161.13243	6.4
163.03867	1.7
163.11166	5.7
165.12746	1.7
167.08473	4.0
169.10106	9.8
171.07962	2.3
171.11629	10.8
172.77188	1.8
173.09593	3.3
173.13240	8.0
175.11197	2.0
177.05420	13.5
177.09004	3.1
177.12723	4.7
181.04936	5.4
181.10069	7.4
183.11655	7.0
185.13190	9.3
187.11244	2.4
187.14836	6.8
189.12778	3.1
189.16425	2.7
191.10532	3.1
193.12199	2.2
195.06483	16.4
195.11671	7.8
195.13574	9.2
197.13251	7.6
199.14787	3.4
201.12856	2.6
201.16339	3.2
209.08121	8.3
209.13348	3.7
211.14822	6.0
213.12727	2.7
213.14635	2.2
213.16486	2.9
217.15848	2.4
219.13699	3.6
221.15259	2.8
223.09612	6.0
223.14809	4.1
225.16373	2.2
227.14349	3.4
233.15302	3.2
237.11111	6.0
237.16386	2.5
241.15942	2.3
247.16916	5.4
247.52425	1.9
251.12729	3.4
251.20059	2.8
253.14122	2.4
259.16864	5.1
261.18445	4.6
269.18936	2.0
273.18604	2.1
304.37375	1.8
325.25143	6.2
335.23596	9.3
343.26154	11.5
353.24695	34.8
371.25781	44.0
389.26819	47.4
427.28201	7.3
445.29306	100.0
446.29608	5.2
463.29642	89.2
463.35208	15.3
464.30731	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	463.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.01863	1.2
57.03423	1.9
60.48031	0.8
65.25937	0.8
66.00462	0.8
67.05481	1.9
67.67987	0.8
67.81310	0.8
69.03423	6.2
69.07056	1.6
70.06586	0.9
70.99821	0.9
71.00185	2.3
71.04976	3.4
73.02907	1.3
79.05494	4.8
81.03393	3.8
81.07024	2.6
85.02894	6.4
91.05476	4.7
91.25663	0.7
93.07035	14.5
94.04160	1.2
95.04959	4.1
95.08594	1.6
97.02877	2.6
97.06521	1.0
99.04431	1.1
103.05427	1.4
105.07014	3.6
107.04930	1.7
107.08582	4.1
109.02865	2.0
109.06474	2.0
111.04425	1.8
115.05423	2.0
115.26339	0.8
117.05476	1.0
119.04950	1.1
119.08564	2.2
121.06494	2.0
121.10133	15.5
122.03643	2.1
123.04453	0.8
123.08051	0.8
127.03904	2.1
129.06982	0.8
131.04880	2.4
131.08553	1.5
135.04427	1.2
135.08018	1.2
137.05966	40.2
140.07124	1.7
143.08531	1.2
147.04417	2.7
147.08141	1.0
149.05983	2.1
149.09612	8.3
151.07500	3.9
153.01796	5.0
155.08575	1.3
157.06427	1.0
161.05992	6.3
163.07529	4.3
165.05576	1.0
165.09090	1.1
167.07037	1.4
167.10660	3.7
167.99329	1.0
169.06516	1.4
169.12297	1.1
171.08099	1.3
173.05972	1.7
175.07515	5.2
177.05470	2.8
179.07027	1.4
187.07526	2.3
189.09076	2.4
191.07008	2.8
192.07782	1.4
195.08029	1.1
197.09526	1.1
199.07439	1.1
201.09134	1.0
203.06973	2.3
205.08627	2.1
213.09203	0.9
217.08482	1.0
225.09212	1.3
235.07518	1.0
253.08362	1.4
260.64285	0.9
261.08850	1.1
262.06015	0.9
263.06958	0.9
267.10089	0.9
283.09720	1.2
285.11301	1.4
291.10458	2.4
291.42303	0.8
293.13739	1.2
295.09799	1.4
297.11359	1.7
307.09686	1.2
309.11606	0.8
311.15204	2.1
317.13776	3.0
323.12747	1.5
329.13916	1.9
333.11502	3.1
335.12662	2.3
339.12277	1.3
341.13910	1.8
353.13980	4.9
365.13806	1.5
371.15811	1.0
383.15134	1.5
388.74213	0.7
391.15289	1.5
403.15646	7.0
409.16611	1.7
445.15863	1.2
463.17770	100.0
464.18231	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	463.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01854	0.4
55.05493	0.1
57.03428	1.2
65.03926	0.2
67.01852	0.2
67.05491	0.1
68.99787	0.7
69.03422	1.3
69.60844	0.7
71.01344	1.8
71.04990	0.5
71.33234	0.1
73.02907	3.6
75.04465	0.4
79.05482	0.4
81.03397	0.3
81.07039	0.3
83.01334	0.2
83.04971	0.2
85.02894	9.1
85.06538	0.2
86.03201	0.2
91.05462	0.7
93.07021	0.2
94.04189	0.1
94.97295	0.1
95.01311	1.4
95.04945	0.3
95.08580	0.2
97.02886	1.0
97.06503	0.2
99.00803	0.5
99.04440	0.2
101.02378	0.7
103.03960	0.6
103.05437	0.3
105.03374	0.5
105.07022	0.4
107.04950	0.5
107.08546	0.1
109.02864	0.4
109.06486	0.3
111.00783	0.9
111.04425	0.4
113.02354	3.5
115.05462	0.3
117.05482	0.2
117.06989	0.2
119.04884	0.3
119.08589	0.2
121.02845	2.7
121.06461	0.3
122.03677	0.6
123.04406	0.3
123.43750	0.1
125.09622	0.1
127.03863	0.3
128.06194	0.3
129.05440	0.4
129.06995	0.3
131.03387	2.4
131.04915	0.5
131.08592	0.2
133.02843	0.7
133.06438	0.2
135.04440	0.2
135.08005	0.3
136.07533	0.9
137.02361	1.0
137.05959	9.3
141.01814	1.6
141.06973	0.1
143.04927	0.2
143.08476	0.2
145.06491	0.6
145.08597	0.2
147.04387	1.1
147.11642	0.1
149.05975	0.4
150.09093	0.3
151.03877	0.3
151.07504	0.9
151.11186	0.1
153.01805	5.0
154.02113	0.2
155.08525	0.2
155.87910	0.1
157.06442	0.6
159.02885	1.8
159.08078	0.1
160.05202	0.1
161.05948	1.6
162.06470	0.1
163.07533	0.9
164.07039	0.4
165.01826	1.9
165.05487	0.1
165.06960	0.1
167.07021	0.2
171.02940	0.1
171.04391	0.3
171.08073	0.3
173.05948	0.3
175.03850	0.2
175.07465	1.1
177.05501	0.6
177.09103	0.1
179.07005	0.2
179.08472	0.2
181.08553	0.3
183.02843	0.9
183.08034	0.2
185.05856	0.6
187.07552	0.6
189.05424	0.4
189.09125	0.5
191.07011	0.4
193.08508	0.1
195.08139	0.2
197.05992	0.2
199.07527	0.3
201.05396	0.2
201.08961	0.2
203.03365	0.1
203.07034	0.4
205.08600	0.4
211.07619	0.1
213.05440	1.7
213.08879	0.1
215.06940	0.2
217.04883	0.1
217.08568	0.5
219.10091	0.1
221.05980	0.1
221.07968	0.2
227.06844	0.1
229.04945	0.2
231.06487	0.8
235.07362	0.2
235.09576	0.3
237.09129	0.2
239.10881	0.1
241.04866	1.0
241.08691	0.2
242.05333	0.1
247.07549	0.2
249.09113	0.2
253.08430	0.1
258.05161	1.2
259.06021	0.4
264.07492	0.1
265.08575	0.1
269.04544	0.2
271.09650	0.2
273.15894	0.2
277.08423	0.3
279.10144	0.1
280.07211	0.1
283.09476	0.2
283.14368	0.2
285.11255	0.3
286.04520	0.2
287.05450	100.0
288.05786	8.3
289.12033	0.2
294.08447	0.2
295.09650	0.2
297.11084	0.6
299.05557	0.2
301.03275	0.2
301.12317	0.1
301.15302	0.6
305.11508	0.2
307.09677	0.4
309.11288	0.2
311.12686	0.3
317.14014	0.4
321.11337	0.1
323.12762	0.6
329.13696	0.6
335.12555	0.6
339.12173	0.2
341.13669	0.5
353.13690	1.1
365.13809	0.2
371.14828	0.2
383.14749	0.3
391.15189	0.2
409.16483	0.6
463.08478	0.2
463.16510	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79760	0.5
52.47229	0.5
53.03934	1.0
55.01849	0.8
55.05497	1.0
57.03419	0.9
59.06100	0.5
65.03927	2.2
67.05489	2.0
69.03426	3.9
69.07045	2.6
69.45010	3.2
69.45434	2.0
70.06568	1.3
71.04980	2.0
72.47814	0.5
73.02885	0.7
76.42934	0.6
79.05494	3.7
81.03407	6.0
81.07049	0.7
82.07452	0.6
83.04969	3.0
85.02901	3.9
85.06522	0.7
87.09202	0.5
93.03394	1.1
95.04956	1.8
96.27655	0.5
97.02888	2.2
97.06504	2.0
98.20737	1.0
98.66169	0.5
99.04445	2.0
105.07001	0.7
106.02918	0.6
107.04952	0.9
108.02050	1.0
109.02869	3.9
109.18419	0.5
110.03642	0.6
111.04432	5.9
112.07595	1.4
113.06033	0.6
115.07578	0.8
121.02837	1.9
124.03949	0.8
125.05960	4.4
125.12983	0.5
127.03925	2.8
130.01865	0.5
131.04900	0.6
133.08598	2.2
135.04442	0.9
137.05922	1.1
138.09125	1.0
140.07050	4.1
141.05441	2.3
143.03400	0.6
145.04968	0.9
145.08589	1.4
146.05989	2.6
147.04390	0.7
147.06879	0.8
149.09735	0.6
151.03893	100.0
151.04930	4.4
151.09639	1.8
152.04259	1.7
153.01822	13.4
153.02982	1.2
166.05080	0.6
166.08629	2.6
169.04962	10.2
171.02884	0.8
191.07097	0.5
214.08548	0.9
258.07846	0.6
263.07974	1.2
268.08084	0.9
295.08160	3.2
313.09122	9.3
314.09558	0.8
315.07083	2.4
322.09146	2.3
333.11795	0.6
362.03287	0.6
382.34250	0.6
397.13788	0.9
427.14920	0.7
445.16266	1.1
463.17273	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	463.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23029	0.2
69.03414	0.6
69.99335	0.6
69.99739	1.1
73.02858	0.3
85.02897	1.6
96.96458	0.2
97.02879	0.5
98.21268	0.7
115.70482	0.3
119.01897	0.3
127.03909	0.3
130.85123	0.3
139.03873	0.4
145.03360	0.2
153.01826	1.6
154.02219	0.3
156.97475	0.4
161.02907	0.4
167.06976	0.3
173.02962	0.4
174.98528	0.4
180.97469	0.7
181.01746	0.3
185.03021	0.3
198.98532	6.7
199.00334	0.6
199.98651	0.3
204.03886	0.4
206.34537	0.3
208.08228	0.2
216.99608	2.6
228.99612	0.7
240.99603	1.1
245.05109	0.6
259.00665	0.4
275.05890	0.4
283.00598	0.9
301.01715	1.5
319.02722	0.5
351.11548	0.3
403.09702	0.4
439.70847	0.3
454.21075	0.3
463.12048	100.0
464.12253	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	463.0866
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
55.01851	0.2
57.03431	1.1
67.01851	0.2
68.99774	0.5
69.03427	0.6
69.54749	1.2
71.01346	1.7
73.02497	0.2
73.02908	3.3
75.04467	0.4
79.05482	0.2
81.07052	0.2
81.80714	0.1
83.01322	0.2
83.04944	0.2
85.02895	8.2
91.05440	0.2
93.07001	0.2
95.01316	1.1
97.02876	0.5
99.00805	0.5
101.02360	0.5
103.03919	0.4
104.72628	0.1
105.01572	0.1
105.03400	0.2
107.04939	0.4
109.02916	0.2
111.00806	0.7
111.04449	0.2
113.02357	4.0
121.02846	2.7
121.06460	0.2
127.03888	0.2
131.03391	2.6
133.02847	0.5
135.04366	0.2
137.02327	0.9
137.05965	2.2
141.01804	1.7
145.06520	0.4
147.04385	0.7
149.05997	0.2
150.06746	0.2
151.03938	0.1
151.07527	0.3
153.01807	4.3
157.06433	0.5
159.02899	1.9
159.04128	0.2
161.05928	0.6
163.07542	0.2
163.84711	0.1
165.01837	1.9
167.07097	0.2
171.04401	0.2
175.07542	0.3
183.02849	0.9
185.05923	0.5
187.07559	0.3
189.05446	0.2
191.07014	0.2
194.23239	0.1
203.07019	0.4
213.05446	1.3
231.06432	0.6
241.04951	1.0
243.06566	0.2
258.05225	0.9
259.05991	0.6
269.04276	0.2
276.07806	0.1
286.04620	0.3
287.05460	100.0
288.05786	2.7
299.05588	0.2
329.06549	0.2
335.91989	0.2
341.13821	0.3
409.16510	0.2
463.80862	0.1
477.85294	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05499	2.2
57.03438	1.0
59.12964	0.8
59.23666	0.7
61.02906	1.7
67.05501	4.4
69.03429	3.8
69.07051	1.8
69.80579	5.5
71.04981	2.5
73.04726	1.0
79.05493	2.3
79.69141	0.7
81.03407	3.5
81.07053	5.1
83.04968	14.0
85.02888	11.6
85.06520	2.0
91.05470	2.6
93.07028	9.7
95.04956	14.0
95.08598	9.3
97.02884	3.1
97.06519	3.6
98.21513	1.1
99.04491	1.3
103.96444	0.9
105.07019	8.2
107.08589	7.5
109.02857	1.7
109.06513	3.2
109.10141	3.9
110.06030	0.8
111.04417	1.2
113.05971	4.5
117.07009	3.5
119.08568	9.2
121.06514	4.3
121.10164	2.3
123.04408	1.9
123.08047	29.5
127.03893	1.8
129.05478	2.0
129.07008	1.4
131.08545	8.1
133.06480	2.7
133.10117	3.8
135.04411	1.6
135.08061	4.2
135.11642	1.1
137.09599	2.4
139.03867	2.6
139.07527	1.3
143.08511	4.3
145.04851	1.1
145.06474	1.6
145.10112	8.5
147.08026	7.0
147.11661	2.6
149.09610	2.4
149.13213	1.4
151.07552	1.2
153.01848	4.2
153.09109	1.7
155.08536	1.3
157.10143	4.6
159.08047	2.7
159.11670	14.2
161.09619	3.2
163.07533	1.4
164.07036	1.0
165.09042	1.3
167.05495	1.4
167.10674	0.9
169.08603	4.5
169.09990	1.5
173.09584	1.9
173.13255	6.2
175.07542	1.2
175.11134	3.8
177.08968	1.0
177.12677	1.2
183.11691	2.3
185.09575	1.6
187.11176	5.7
189.09116	1.4
191.10612	1.4
191.14299	2.2
193.08643	3.3
199.11263	1.0
201.12735	5.8
203.10583	1.6
205.12183	4.8
207.10089	1.4
217.12270	2.7
219.13766	12.9
229.12151	4.8
235.13289	2.4
237.14767	7.3
247.13266	33.7
247.15793	1.8
265.14316	100.0
266.14749	1.3
283.12347	1.8
283.15372	23.0
306.16998	1.1
359.02661	2.0
360.33459	0.8
386.38522	0.8
429.08911	1.3
462.66367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.0
53.03932	1.9
54.83311	0.9
55.01851	1.4
55.05487	2.1
56.05026	1.8
57.03440	2.0
61.02923	1.4
67.05486	4.1
69.03421	10.4
69.07028	1.4
70.06580	2.4
70.90179	2.2
70.90540	2.1
71.04981	4.0
73.02907	1.7
79.01816	1.1
79.05482	2.8
79.64556	0.9
81.03409	4.0
81.07036	4.2
83.04967	3.7
85.02893	10.3
85.06572	1.0
89.06018	2.7
89.40388	0.9
91.04967	1.1
91.05384	5.4
93.07024	6.2
95.04961	8.8
95.08596	3.9
97.02871	5.9
97.06541	1.6
99.04420	2.6
105.07027	9.6
107.08581	2.5
108.08099	2.6
109.02879	3.1
109.06509	4.9
110.06021	1.0
111.04435	6.0
111.08063	1.4
112.07564	1.3
113.05981	3.6
115.05392	1.0
117.07023	2.2
119.08558	10.8
121.02862	4.8
121.06483	5.2
121.10185	1.9
121.85225	1.1
122.06008	1.9
123.04385	1.6
123.08068	6.1
124.07560	1.4
127.03903	5.3
131.08531	5.8
133.06439	1.8
133.08592	1.3
133.10101	2.9
134.05995	1.1
135.04454	1.5
135.08041	13.8
137.05948	3.3
137.09584	3.3
139.03844	1.3
139.07549	1.4
140.07074	2.4
142.07678	1.4
143.08527	2.9
145.04930	2.4
145.06430	2.1
145.10086	4.4
147.04433	1.7
147.08034	5.8
147.11668	2.5
149.05943	1.3
149.09669	2.0
151.03888	2.2
152.07031	2.5
153.01828	15.4
153.07013	1.2
157.07585	1.8
157.10130	4.4
158.07263	2.9
159.07983	5.0
159.11630	8.6
161.09595	7.6
163.03940	1.5
163.07489	1.5
164.07077	3.1
164.14342	1.3
165.09113	5.7
171.08060	1.3
171.11702	2.2
172.08809	4.3
173.09593	2.7
173.13266	2.8
175.07532	11.0
175.11183	5.7
177.09157	1.6
178.56564	1.2
183.11703	3.5
187.07579	1.6
187.11127	8.1
189.09106	2.7
189.12778	3.0
193.08601	2.7
196.06500	1.1
199.11177	4.9
201.12682	5.9
203.10580	7.4
205.04822	1.4
205.12253	1.1
207.09990	1.3
211.11162	4.1
212.07085	1.6
217.12259	4.2
219.13753	2.7
223.07652	5.1
229.12125	5.3
235.13260	2.0
238.18082	1.1
247.13264	24.6
265.14316	100.0
266.14548	2.7
267.22653	1.1
269.60507	1.2
278.10123	2.0
282.12531	1.6
283.17523	3.1
376.53830	1.2
386.01907	1.1
462.16104	4.2
462.23102	4.5
463.16440	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	462.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17697	0.5
53.03926	0.8
55.01859	1.3
55.05487	1.9
57.03428	1.3
57.07050	0.6
57.34433	0.6
61.02919	1.2
67.05491	5.0
69.03413	4.0
69.47798	1.7
69.48223	3.4
69.62350	0.6
71.04967	2.4
79.05462	2.3
81.03398	2.9
81.07047	5.5
81.23063	0.6
83.04967	9.2
85.02891	9.0
85.06508	1.2
91.05470	2.9
93.07035	7.7
95.04959	11.0
95.08593	7.5
97.02891	4.2
97.06514	3.9
98.21456	1.4
99.04459	1.5
105.07013	6.8
107.04918	0.8
107.08569	6.2
109.02842	1.1
109.06499	3.9
109.10146	3.1
111.04435	4.7
111.08066	1.2
113.05988	2.0
115.05386	0.7
117.06998	2.4
119.08575	6.9
121.06462	4.7
121.10123	2.1
123.04437	0.7
123.08052	22.0
125.02254	0.7
125.05981	0.8
125.09527	0.6
127.03876	2.1
128.06261	0.7
129.05435	1.0
129.06966	2.0
131.07034	1.0
131.08548	6.4
133.06454	2.0
133.10130	4.2
135.04364	1.1
135.08064	3.9
137.05962	0.9
137.09586	1.5
139.03926	0.8
139.07492	0.9
141.06966	0.8
142.07707	0.8
142.31340	0.6
143.08521	4.4
144.09305	0.7
145.04909	0.6
145.06479	1.5
145.10106	6.5
147.08020	6.0
147.11621	1.8
148.08719	0.6
149.05943	0.9
149.09596	2.6
149.13176	0.9
153.01836	4.5
153.09117	0.9
155.08565	1.2
157.10101	5.1
159.07997	1.8
159.11653	11.3
161.09573	4.3
161.13116	0.8
163.07509	1.5
163.11140	0.9
165.09125	2.0
165.28667	0.6
167.05586	1.0
167.10736	0.9
168.09306	1.1
169.08530	1.1
169.10063	1.0
171.11714	1.1
173.09578	1.5
173.13214	4.6
175.07520	1.3
175.11206	2.8
177.09045	1.2
177.12762	1.2
183.11662	3.8
185.09637	1.4
187.11148	6.1
189.09119	1.2
189.12709	1.2
191.14317	1.1
193.08598	1.7
199.11147	1.8
201.12715	7.4
203.10637	1.3
205.12199	4.0
207.10101	1.7
211.11140	0.8
217.12172	3.5
219.13773	9.9
229.12186	5.0
235.13264	3.0
237.14812	3.8
247.13263	28.1
248.13701	0.7
265.14310	100.0
266.14636	2.4
283.15356	39.9
304.23233	0.6
359.02661	1.5
452.07895	0.7
462.16910	1.0
463.17532	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3983
Annotation	Myrrhanol A
Peak:m/z	Relative Intensity
53.03944	1.5
55.05510	9.0
57.07064	6.7
67.05499	10.2
69.07062	17.3
69.58376	2.0
69.58780	6.7
71.08620	3.6
77.20453	0.8
79.05486	6.6
79.91878	0.9
81.03400	2.2
81.07039	33.0
83.04966	2.2
83.08586	9.2
85.06526	1.7
91.05475	6.1
93.07024	11.9
95.04956	3.1
95.08595	36.6
96.08947	1.4
97.10152	3.6
97.50631	1.0
98.21458	1.9
105.07021	10.6
107.08584	17.5
109.06498	15.8
109.10138	15.3
111.08091	2.6
111.11661	2.1
117.07020	1.6
119.08562	13.2
121.06533	1.3
121.10124	11.7
123.08045	8.6
123.11681	8.1
125.09589	1.7
127.11220	1.4
127.49330	0.9
131.08556	3.1
133.09190	1.6
133.10101	10.8
135.08025	2.1
135.11710	7.7
137.06004	1.2
137.09589	2.7
137.13246	3.1
139.07527	2.0
145.10135	3.3
147.11673	11.2
149.09622	2.2
149.13213	10.4
151.07455	1.9
151.11226	1.6
151.14815	1.5
157.10106	1.4
159.11708	4.4
161.13275	4.8
163.07558	2.3
163.14787	9.3
165.09091	21.1
165.12796	1.4
169.10118	1.8
171.11655	2.4
173.09547	1.4
173.13211	2.0
175.07469	1.4
175.11169	2.0
175.14781	4.5
177.09087	1.7
177.16344	1.9
179.06987	1.4
181.08501	1.7
185.13191	2.2
187.11183	1.5
187.14842	1.6
188.08339	1.3
189.09109	1.6
189.16357	11.8
190.16757	1.0
191.10678	1.7
191.17943	2.0
193.19455	2.0
199.11148	1.3
201.12717	1.3
201.16325	1.9
202.09859	1.4
203.10641	3.8
203.14311	1.5
203.17923	8.1
205.12219	3.0
205.19443	2.6
207.17392	4.5
217.12170	1.0
217.19571	2.3
219.21016	2.4
221.18976	42.3
222.19385	1.1
229.12195	1.5
231.13751	3.0
245.15561	0.9
245.22496	1.1
259.24167	2.6
300.28003	1.2
364.30249	0.9
407.36954	1.9
425.33124	1.7
425.38229	1.7
443.38953	100.0
444.39407	6.4
461.29071	4.0
461.35471	2.0
461.41660	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3983
Annotation	Myrrhanol A
Peak:m/z	Relative Intensity
53.03927	1.2
55.01871	0.7
55.05502	4.7
57.07071	4.6
59.04988	0.9
64.37540	0.7
67.05496	6.3
69.07059	9.2
69.91508	0.6
70.88381	1.5
70.88766	0.6
71.04990	1.2
71.08613	2.8
79.05476	4.4
81.03403	1.1
81.07042	26.9
81.07514	1.4
83.04971	0.8
83.08604	3.7
85.06519	0.9
91.03959	0.6
91.05460	3.1
93.07037	9.3
95.04961	1.8
95.08594	27.6
97.06526	0.5
97.10151	2.4
97.42254	0.6
105.07011	6.8
107.04942	0.9
107.08574	16.4
108.08887	0.5
109.06499	14.7
109.10138	13.3
111.08104	1.2
111.11779	1.0
119.08553	9.5
120.15572	0.5
121.06470	0.9
121.10121	9.1
123.08053	6.5
123.11703	5.3
131.08566	1.8
133.10110	7.3
135.08018	0.9
135.11664	6.9
137.09642	3.0
137.13251	2.4
139.07504	1.2
143.08614	0.7
145.10110	2.4
147.11668	8.4
149.13228	6.0
151.07545	0.8
157.10141	1.0
159.11694	2.5
161.13200	4.0
163.07500	0.7
163.14801	8.3
165.09109	6.0
165.12756	1.3
165.16325	0.9
167.06967	0.8
169.10123	0.7
171.11617	0.8
173.13268	1.3
175.14790	3.3
177.16328	0.8
185.13365	1.1
187.11150	1.1
187.14859	1.4
189.16339	11.8
191.17929	2.2
193.19504	1.5
201.16457	1.0
202.09853	0.7
203.10576	0.9
203.17926	7.5
205.12163	1.1
205.19455	3.1
207.17409	4.0
215.17870	1.3
217.19548	2.0
219.20961	1.4
221.18973	37.9
222.19273	0.9
245.22762	0.7
259.24194	1.9
331.26462	1.6
407.36719	1.8
425.32962	0.8
425.37759	2.6
443.38846	100.0
444.39160	6.6
461.29495	2.0
461.41623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.7
55.05296	2.0
55.05504	23.4
57.03421	2.3
57.07064	11.1
59.04979	2.1
67.05493	46.1
68.05813	2.2
69.03408	2.7
69.06720	3.7
69.07062	49.6
69.82039	10.3
71.04978	6.9
71.08621	2.4
79.05477	35.9
79.18649	2.2
81.03409	3.8
81.06569	4.2
81.07046	78.3
82.07371	3.3
83.04964	5.1
83.08601	21.6
84.40197	2.4
85.06508	3.5
91.05457	23.5
93.07034	59.3
95.04944	9.3
95.08592	97.4
96.08925	2.7
97.06532	4.3
97.10156	15.9
99.08064	9.5
99.13043	2.1
105.07023	41.8
107.08580	97.3
108.08884	3.4
109.06486	6.4
109.10143	90.6
111.08056	5.5
111.11680	9.6
115.05450	2.8
117.07002	7.9
119.08566	67.4
120.08890	2.6
121.06497	3.6
121.10130	66.1
121.11002	3.9
123.08054	6.2
123.11687	41.9
125.09604	5.8
126.92741	2.0
127.11181	14.2
129.06992	6.1
131.08553	18.5
133.10107	53.8
135.08076	3.4
135.11674	52.9
136.12029	2.2
137.09581	3.4
137.13264	18.3
143.08542	7.1
144.09364	3.2
145.06404	2.6
145.10103	21.6
147.11668	46.1
149.09575	3.3
149.12157	3.6
149.13243	37.8
151.14827	4.5
155.08546	3.8
157.10112	6.0
159.11678	26.8
161.13243	53.1
163.11176	4.0
163.14816	33.7
165.09012	2.7
165.12794	3.1
165.16365	2.2
171.11638	9.2
173.13260	13.6
175.14790	21.9
177.12717	4.3
177.16383	15.7
179.14328	8.1
185.13280	3.9
186.13913	2.5
187.14813	17.5
189.12798	2.9
189.16371	60.0
190.16684	3.4
191.14317	3.8
191.17940	25.3
199.14775	7.9
201.16351	53.3
203.17931	53.3
205.15855	4.8
205.19498	21.1
207.17374	6.2
215.17972	19.5
217.19496	18.9
219.17557	15.2
219.21027	20.5
221.18938	3.0
223.16780	3.3
229.19452	4.2
231.21164	3.9
233.18962	13.7
235.20467	3.7
245.22604	5.2
251.20107	5.2
257.22519	3.3
271.24197	3.2
295.24048	4.0
297.25656	4.0
313.25183	4.5
323.27271	3.4
351.23172	3.1
369.24274	5.2
397.38254	3.6
401.30731	3.8
407.36899	20.6
425.32263	5.4
425.37778	100.0
426.38092	8.2
443.27930	8.9
443.39120	28.1
444.39285	4.5
452.82822	2.4
461.28882	29.2
461.35870	7.6
462.28708	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	461.3616
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
51.53564	6.3
52.49505	5.8
53.03908	6.0
55.05504	27.1
57.07065	49.8
67.05491	17.9
69.07066	54.5
69.37449	54.0
71.04980	7.3
71.08604	33.4
79.05470	9.0
81.07040	70.5
83.04973	10.5
83.08598	41.3
85.10160	23.8
88.84052	5.5
93.07034	18.1
95.08588	53.3
97.10145	32.9
99.04432	10.7
105.07015	9.2
107.08572	15.6
109.06474	8.1
109.10112	34.0
111.11717	19.3
121.10116	21.0
123.11713	17.6
125.05949	16.5
125.13233	7.1
127.03883	25.6
131.08571	7.2
132.47188	6.3
133.10110	10.4
135.11639	8.1
137.05945	79.0
137.13206	10.3
145.10164	11.5
147.11736	6.7
149.09570	9.9
151.07564	14.2
159.11664	19.5
161.13193	9.5
163.14850	9.2
165.16309	7.6
167.07028	9.4
173.09572	54.3
177.09116	10.2
177.58128	6.3
177.97234	6.2
183.06508	12.1
187.11166	43.9
191.10545	10.9
201.12721	7.9
205.12233	29.3
215.14304	7.5
217.12398	9.4
219.13921	7.3
229.12177	10.1
229.15744	7.6
277.28970	9.9
335.33182	19.5
383.32968	52.5
397.34543	17.7
401.34067	100.0
419.35031	11.9
425.34039	13.1
443.35361	41.9
461.36221	12.3
467.08295	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	461.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01854	4.8
55.05503	23.7
57.03426	5.0
57.07067	4.5
59.04996	1.9
60.59514	1.5
60.76300	1.3
62.01501	1.2
65.03931	3.9
67.05495	73.8
69.03416	4.0
69.06714	2.0
69.07060	27.1
71.04987	12.6
79.05480	43.2
81.03405	33.2
81.07044	74.8
83.04955	9.6
83.08604	21.4
84.22665	1.3
84.98390	1.3
85.06542	3.8
90.27236	1.3
91.05470	41.2
93.07030	55.7
94.07368	1.5
95.04424	2.4
95.04961	20.9
95.08592	54.3
97.06522	15.9
97.10154	7.7
98.21485	3.6
99.08064	3.9
102.95443	1.2
103.05468	1.7
105.07017	40.7
107.04944	8.1
107.07851	3.1
107.08578	61.8
109.06491	8.7
109.10142	91.1
110.10499	2.3
111.08087	9.5
111.11665	2.1
117.06999	13.4
119.08566	46.9
121.06524	8.2
121.10125	37.3
123.08041	8.1
123.11710	14.1
125.09605	9.1
127.07537	2.3
127.11143	2.3
128.06229	3.2
129.06998	11.8
131.08553	18.5
133.06485	4.2
133.10109	33.1
135.08029	6.0
135.11674	23.2
137.05933	1.5
137.09590	24.3
137.13216	6.3
139.07506	1.4
139.11176	2.5
141.06985	2.3
142.07745	2.7
143.08533	9.6
145.06476	5.8
145.10117	17.1
147.08032	4.6
147.11665	23.7
149.09576	8.9
149.13228	22.9
151.11119	6.5
151.14815	2.6
153.09023	2.1
153.12776	1.9
155.08585	2.9
156.09363	2.2
157.10110	13.5
159.08093	2.6
159.11665	18.7
161.09605	4.1
161.13223	19.8
163.11157	6.2
163.14796	7.4
165.09073	1.9
165.12785	3.0
167.08525	2.7
169.10133	4.6
171.11679	5.9
173.09622	2.4
173.11852	2.2
173.13170	9.1
175.11192	6.1
175.14803	9.3
177.12767	5.5
177.16347	3.7
179.14308	3.1
181.12288	1.7
183.11792	3.1
183.13774	3.2
185.13222	5.4
187.14813	8.1
189.11249	2.9
189.12715	3.2
189.16380	12.6
191.14285	4.3
191.17932	5.2
193.12212	15.7
195.11574	2.1
195.13773	4.9
197.13171	2.5
199.11208	2.1
199.14801	5.3
201.12718	2.4
201.16409	6.1
203.14285	4.6
203.17920	8.5
205.15962	4.0
205.19482	3.6
207.13716	2.7
207.17477	4.1
209.15431	2.6
211.14807	2.7
213.16400	2.6
215.18019	4.1
217.15820	7.5
217.19489	16.2
219.13820	1.6
219.21211	2.2
221.15265	1.7
223.16901	35.4
227.12627	1.9
231.13814	1.8
231.17641	2.0
231.21048	2.0
243.17332	1.7
245.18921	1.6
249.14809	2.5
255.20879	1.8
257.15530	2.3
271.20837	1.4
271.24249	3.6
273.18726	1.3
289.21960	1.4
289.25217	4.6
294.38504	1.5
297.22131	2.6
298.07544	1.7
325.25244	2.0
341.24500	1.8
343.22617	3.1
343.26318	3.7
351.23199	6.0
361.27365	2.1
369.24176	12.1
387.25241	6.1
397.35013	1.9
405.26404	1.5
407.32996	6.1
417.26303	5.5
419.96484	1.5
425.26254	2.3
425.34280	9.3
431.35117	1.9
443.27856	20.3
443.35086	21.7
461.28900	100.0
461.36121	71.2
462.29517	8.2
462.35739	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24408	1.2
53.03932	4.1
55.01844	3.7
55.05502	22.4
57.03408	4.1
57.07052	5.3
59.04976	2.5
64.91423	1.4
65.03924	4.6
67.05497	68.7
68.05817	2.1
69.03432	3.5
69.07057	28.5
71.04985	14.2
71.62639	1.4
71.63051	1.7
79.05485	41.3
80.05805	2.0
81.03407	32.1
81.07046	78.3
82.07368	1.8
83.04977	10.1
83.08610	18.7
85.02930	1.9
85.06518	5.2
91.05463	41.9
92.05791	1.7
93.07029	56.5
93.07619	3.0
95.04960	27.1
95.08593	68.5
96.08915	2.7
97.02841	1.8
97.06530	20.0
97.10158	12.1
99.04429	1.7
99.08060	5.7
103.05479	2.2
105.07021	46.2
107.04942	10.3
107.08579	68.1
108.08930	2.6
109.06486	10.7
109.10144	87.0
110.10526	1.7
111.04436	2.1
111.08069	9.1
111.11707	2.2
115.05441	2.6
117.07018	15.3
119.04916	2.8
119.08562	54.8
121.06529	9.3
121.10123	44.1
123.08049	10.4
123.11705	17.2
125.09603	12.1
127.11195	7.4
128.06223	1.9
129.06964	11.7
131.04892	2.1
131.08542	21.9
133.06451	4.5
133.10118	41.3
135.08022	4.1
135.11659	32.2
137.05988	2.0
137.09602	34.2
137.13237	7.6
137.14096	1.4
139.11153	1.5
141.06952	3.5
142.07741	2.4
143.08528	10.7
145.06464	5.9
145.10114	22.9
147.08066	8.1
147.11668	32.6
148.11949	1.6
149.09624	9.5
149.13248	21.1
151.11153	4.4
153.09132	1.8
153.12584	1.9
155.08485	4.3
156.09329	2.5
157.10130	14.3
159.08014	3.4
159.11668	20.5
159.37701	1.6
160.12070	1.8
161.09590	5.2
161.13248	23.8
163.11171	8.8
163.14795	9.5
165.09029	2.4
165.12721	4.5
167.14281	2.8
169.10080	4.8
171.08009	1.8
171.11630	7.6
173.09602	2.2
173.13196	11.9
175.11179	6.5
175.14796	13.5
177.12732	5.7
177.16382	4.6
179.14310	4.1
181.09982	2.2
183.11668	5.2
183.13693	2.1
185.13223	7.1
187.14781	9.0
189.09108	2.2
189.11177	2.6
189.12785	2.1
189.16353	12.1
191.14299	4.4
191.17877	3.2
193.10509	2.4
193.12177	11.7
193.15807	2.5
195.11751	2.0
195.13797	4.0
197.13228	3.2
199.14810	7.4
201.12726	2.1
201.16397	9.4
203.14278	2.9
203.17961	8.6
205.12263	2.3
205.15840	4.3
205.31546	1.7
207.17459	4.0
209.13382	3.6
213.12672	1.8
213.16422	2.2
215.14317	2.7
215.17903	5.0
217.15874	5.1
217.19453	16.9
219.17473	3.8
221.13234	2.5
221.15297	4.6
223.15082	2.0
223.16895	43.5
225.16435	2.4
227.17871	2.7
229.19569	1.7
233.15276	2.7
233.19063	1.7
235.17052	2.2
243.17505	2.2
243.20930	2.2
249.14771	2.2
257.15158	2.2
259.20578	2.0
271.24139	4.4
285.18286	2.4
289.25247	2.8
297.25797	1.8
303.19540	3.2
325.25372	2.5
341.24493	2.9
343.22675	2.3
343.26114	2.7
351.23065	4.9
369.24149	13.7
387.25137	7.4
401.30508	2.1
405.26025	2.6
407.33258	3.3
417.26022	4.0
422.46585	1.6
425.34091	6.4
443.26990	16.1
443.34970	9.3
461.28842	100.0
461.36066	68.9
462.29105	10.7
462.35812	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	461.3618
Annotation	Phlomistetraol C
Peak:m/z	Relative Intensity
51.60938	0.7
53.03925	2.2
55.01855	1.4
55.05500	10.7
57.03400	1.0
57.07066	4.2
59.04988	1.1
60.79364	0.7
65.03938	1.1
67.05495	44.1
69.03416	1.5
69.06718	1.0
69.07059	15.6
71.04986	11.3
78.39999	0.8
79.05484	12.3
79.19841	0.8
81.03401	6.5
81.07045	34.4
83.04950	1.3
83.08595	6.7
85.06507	2.3
91.05467	16.5
93.07031	33.1
94.07355	0.8
95.04955	5.6
95.08593	57.4
95.18678	0.8
96.08873	0.8
97.06499	2.9
97.10155	4.4
99.08083	8.1
105.07019	22.5
107.04958	1.2
107.08579	53.2
109.06512	3.7
109.10143	100.0
110.10458	1.6
111.08046	4.7
111.11691	2.6
113.09625	1.3
113.45435	0.8
117.07002	3.5
119.08564	47.1
121.06464	1.5
121.10127	34.2
123.08030	2.4
123.11684	15.3
125.09620	4.1
127.11181	22.5
128.06158	0.8
129.06958	1.9
131.08557	8.6
133.06508	1.8
133.10109	33.9
134.10368	0.8
134.47102	0.9
135.08034	3.2
135.11673	34.1
137.05986	0.9
137.09599	39.6
137.13239	7.1
143.08475	2.4
145.06575	1.0
145.10106	12.6
147.07985	1.5
147.11665	23.5
149.09576	2.8
149.13220	20.2
151.11115	0.9
151.14754	1.2
153.09018	1.8
153.12717	1.0
155.08548	1.1
157.10141	4.0
158.10954	0.8
159.11658	14.4
160.12315	0.8
161.09596	2.0
161.13239	20.5
163.11136	4.9
163.14792	6.3
165.09113	2.6
165.12723	3.1
169.10071	1.4
171.11694	3.3
173.13251	11.9
174.04947	0.8
175.11160	1.8
175.14807	13.4
177.12764	2.5
177.16367	5.2
179.14294	1.8
181.12254	2.8
183.11694	1.5
183.13776	3.2
185.13222	3.6
187.14798	13.7
189.12740	3.1
189.16377	13.6
191.14326	8.1
191.16284	1.3
191.17914	12.0
193.12196	2.4
193.15936	2.1
199.14818	3.7
201.16359	15.7
202.16563	0.8
203.14326	5.4
203.17941	21.9
204.18266	1.0
205.15823	3.6
205.19524	2.5
207.13826	1.5
207.17409	3.2
209.15335	2.4
209.18950	2.5
213.16367	1.2
215.14319	0.8
215.17960	6.6
217.15877	3.5
217.19478	25.2
219.17409	4.9
221.15356	1.2
221.18974	3.4
223.16930	1.2
227.18021	1.1
229.19592	2.1
231.17482	1.1
231.21042	1.6
233.19058	4.8
235.16945	1.6
235.20569	1.8
239.18028	1.3
240.91606	0.8
241.19595	0.8
243.21097	1.7
245.18822	0.9
245.22563	1.2
255.21080	1.1
257.19235	0.9
257.22647	1.0
259.20413	1.0
259.24161	1.5
261.22031	1.3
271.24155	10.5
277.25220	1.1
281.22806	1.0
289.21991	1.8
289.25201	19.2
293.61023	1.0
307.26282	4.5
327.26746	1.5
339.26810	1.6
345.27679	1.1
367.29938	1.8
369.24094	1.8
383.33118	1.4
389.31863	1.2
397.34570	3.1
407.33072	12.7
415.35718	1.0
425.34125	29.8
426.34305	1.7
443.28122	2.8
443.35120	18.7
444.36261	1.1
461.29013	8.1
461.36160	48.4
462.29208	1.2
462.36459	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2889
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
53.03946	4.0
55.01852	2.4
55.05500	15.3
55.61456	0.7
57.03440	4.4
57.07064	1.0
58.61759	0.8
63.29920	0.8
65.03915	1.8
67.05491	32.5
69.03400	2.3
69.07056	9.2
69.27272	7.8
69.27691	2.5
71.04978	2.8
79.05480	26.9
81.02919	1.0
81.03400	29.4
81.07037	33.5
83.04950	4.5
83.08599	10.9
85.06510	1.6
91.05465	23.5
93.07024	25.2
95.04950	19.3
95.08030	1.5
95.08595	13.8
97.06515	4.4
97.10151	5.3
97.59409	0.7
98.20710	2.0
98.95866	0.7
99.08068	1.2
103.05479	1.2
105.07015	15.9
107.04945	7.2
107.08574	13.2
109.06503	3.1
109.10137	5.9
111.08079	4.6
111.51645	0.7
115.05421	1.4
117.07011	7.7
119.04919	1.1
119.08559	12.4
121.06495	6.8
121.10126	9.2
123.08054	2.3
123.11668	1.2
125.09638	3.9
127.03916	0.9
129.06972	9.1
131.04936	1.2
131.08545	13.9
133.06467	4.7
133.10114	7.6
134.59439	0.8
135.08038	2.6
135.11696	4.4
141.06982	1.8
142.07745	2.0
143.08554	4.2
145.06451	5.9
145.10103	6.7
147.08054	3.7
147.11688	4.6
149.09610	3.8
149.13229	11.1
153.09085	0.9
155.08531	2.2
157.10121	6.6
159.08034	3.1
159.11650	7.1
161.09627	2.3
161.13234	0.8
163.11162	1.2
169.10120	1.8
171.08107	1.7
171.11649	2.0
173.09720	0.8
173.13271	1.9
175.11151	4.9
177.12746	5.3
181.10098	1.6
183.11633	1.4
185.13141	1.3
187.11147	1.3
189.09218	1.7
189.11197	3.3
191.14268	1.1
193.12204	12.1
195.11812	1.5
195.13802	4.1
199.14821	2.7
201.12624	1.2
203.14317	1.2
207.11835	1.6
207.13728	0.9
209.13205	1.4
211.14925	1.1
213.12894	1.2
217.15895	3.2
227.12631	1.4
231.13647	1.3
244.98856	1.0
249.14803	2.8
257.15390	1.5
267.16055	1.0
271.16888	1.2
323.23648	1.5
325.21548	1.0
341.24640	1.9
343.22583	4.5
351.23077	7.1
361.23584	2.1
369.24142	14.0
387.25174	6.9
405.26227	1.3
407.25476	1.4
417.26303	7.3
425.26797	2.7
443.27853	19.5
461.28903	100.0
462.29263	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	461.2891
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
53.03943	3.7
55.01848	2.5
55.05502	12.6
57.03436	3.9
57.07060	1.8
65.03905	1.7
67.05495	33.3
69.03416	2.8
69.06725	0.8
69.07067	10.9
69.49590	1.7
69.49997	5.0
71.04970	3.0
79.05484	27.3
81.03407	42.7
81.07049	33.6
83.04965	5.7
83.08610	15.0
85.06526	2.4
91.04888	1.1
91.05466	23.8
93.07035	31.1
95.04955	21.0
95.08590	13.9
97.02856	1.2
97.06510	5.8
97.10154	4.8
98.20776	1.5
99.08071	2.5
103.05424	1.0
105.04533	0.7
105.07018	16.9
107.04934	6.9
107.08579	15.3
109.06495	4.2
109.10124	6.1
111.04402	1.4
111.08073	6.9
115.05434	1.9
117.07001	7.4
119.04939	1.8
119.08569	9.6
121.06473	5.7
121.10131	10.8
123.08044	2.4
123.11713	1.3
125.09631	3.5
128.06187	1.5
129.06992	8.7
131.04929	0.7
131.08553	12.9
133.06461	3.7
133.10115	7.5
135.08026	3.4
135.11647	4.1
137.09602	1.7
139.11192	1.3
141.06984	2.0
142.07762	1.9
143.08510	3.9
145.06471	3.0
145.10118	5.0
147.08026	4.4
147.11662	5.2
149.09628	5.4
149.13249	12.8
150.13487	0.7
150.85089	0.7
151.07480	0.8
153.09070	0.7
155.08521	1.5
157.10081	6.5
159.07988	1.4
159.11658	7.6
161.09624	1.2
163.11172	2.3
169.10109	1.9
171.08058	1.0
171.10178	0.8
171.11685	2.6
173.09576	1.2
173.13229	1.9
175.11195	6.3
177.12747	4.2
183.11697	1.3
184.81758	0.7
185.09540	0.8
185.13264	1.3
187.11198	1.0
189.11197	2.7
189.12761	1.1
189.16324	0.9
193.12219	17.7
193.13847	1.4
195.13762	5.3
197.13208	1.7
199.11301	1.0
199.14793	2.1
201.12737	1.7
205.12225	1.4
213.12659	1.3
217.15866	3.4
225.12820	1.3
227.12657	1.5
231.13773	1.3
243.13786	0.9
249.14897	3.2
257.15311	1.5
341.24759	1.6
343.22858	3.8
351.23264	3.1
361.23669	2.3
369.24234	9.8
387.25229	7.0
397.27350	1.3
399.25583	1.1
405.26236	1.5
407.25839	0.8
415.28201	0.9
417.26337	7.5
425.26611	1.5
430.43060	0.7
441.10336	0.8
443.27917	12.5
455.90668	0.7
461.28903	100.0
462.29099	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	461.2886
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
50.93847	0.6
52.24781	0.7
52.81230	0.7
53.02818	0.6
53.03931	3.0
53.69344	0.8
55.01859	2.6
55.02121	0.7
55.05507	10.7
55.80501	0.7
57.03419	4.1
64.12433	0.8
65.03928	1.5
67.05496	31.7
69.03407	1.4
69.07056	9.9
69.55151	5.9
71.04956	1.8
79.05479	23.3
81.03403	36.1
81.07041	33.7
83.04971	4.8
83.08607	13.3
85.06545	2.7
87.04442	0.7
91.05465	23.0
93.07027	26.3
95.04955	18.3
95.08582	10.5
97.02921	1.0
97.06516	5.8
97.10132	4.6
98.20674	0.8
99.08070	1.4
103.05384	0.8
105.04512	0.7
105.07015	15.6
107.04923	6.6
107.08573	15.9
109.06506	3.2
109.10130	3.8
111.04401	1.1
111.08067	5.9
115.05454	1.3
115.54337	0.8
117.06992	7.7
119.04918	1.1
119.08562	11.9
121.06488	3.9
121.10123	8.1
123.08086	2.0
123.11659	1.3
125.09604	3.5
129.07007	7.8
130.64825	0.7
131.04938	0.9
131.08540	11.8
133.06482	5.6
133.10126	7.5
135.07957	1.9
135.11691	3.1
137.09554	1.1
141.06987	1.8
142.07748	1.9
143.08553	4.2
145.06470	4.2
145.10088	3.7
147.07999	3.5
147.11658	4.4
149.09599	5.2
149.13220	13.2
151.11017	0.8
155.08513	1.3
157.10118	7.7
159.07999	1.5
159.11664	7.3
161.09578	1.1
163.11205	1.7
165.12682	1.5
169.10115	1.1
171.11697	2.3
173.13261	1.1
175.11169	6.8
177.12720	3.0
183.11702	1.3
185.09790	1.2
189.09023	0.8
189.11212	2.7
189.16467	1.0
193.12210	16.7
195.11752	1.3
195.13791	3.8
197.09613	1.1
199.14833	1.4
201.12683	1.2
205.12253	0.8
213.12727	1.0
217.15901	2.1
227.12666	0.8
230.02618	0.8
231.13835	0.9
239.14183	0.8
247.16943	1.0
249.14903	3.3
323.23590	1.0
341.24521	1.0
343.22571	2.8
351.23111	2.9
361.23529	1.3
369.24255	8.4
387.25156	5.6
388.25305	1.0
405.25797	1.3
407.25977	1.1
417.26337	4.5
425.26538	1.0
443.27789	11.5
444.27802	1.0
461.28922	100.0
462.29510	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	461.2889
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
53.03920	3.0
55.01868	3.3
55.05502	17.9
57.03424	4.7
57.07041	1.2
59.07359	0.6
64.55169	0.7
65.03922	1.2
67.05495	33.3
69.03407	1.8
69.06713	1.0
69.07059	10.7
69.49490	3.0
69.49898	2.3
71.04964	3.0
79.05482	27.3
81.03409	20.6
81.07046	36.4
83.04968	6.8
83.08603	11.4
85.06522	2.4
91.04890	1.0
91.05466	27.3
93.07033	28.5
95.04955	16.6
95.08596	15.0
97.06504	5.0
97.10152	6.6
98.20641	0.9
99.08086	1.0
105.07018	19.8
107.04951	8.4
107.08572	15.2
109.06468	3.8
109.10146	5.2
111.04459	0.7
111.08066	4.1
115.05418	1.4
116.47903	0.6
117.06999	9.9
118.31991	0.7
119.04932	0.8
119.08562	12.9
119.30569	0.7
121.06494	6.9
121.10126	9.9
123.08052	1.9
123.11671	1.1
125.08791	1.1
125.09566	5.3
128.06210	0.9
129.06989	9.5
131.04924	1.9
131.08551	15.6
133.06490	4.7
133.10136	8.8
135.08002	3.5
135.11720	4.9
137.05916	0.9
137.09599	1.2
141.06935	3.1
142.07755	1.5
143.08548	6.8
145.06448	7.1
145.10097	7.3
147.08043	4.2
147.11644	5.1
149.09598	3.2
149.13226	8.0
151.07475	1.0
151.11201	1.1
153.06973	0.9
153.09085	1.5
153.12694	0.8
155.08553	3.6
157.10107	7.0
159.08009	3.0
159.11652	6.2
161.09567	1.4
161.13252	2.1
163.11177	2.7
165.12743	1.5
167.08469	1.1
169.10112	2.9
171.07901	1.6
171.11679	3.5
173.09531	1.4
173.13231	3.0
175.11110	3.8
177.12717	2.8
179.08492	1.0
181.10080	1.7
181.66798	0.8
183.08028	1.0
183.11650	2.8
185.09549	1.2
185.13205	1.6
187.11200	1.3
187.14861	1.3
189.09076	0.9
189.11191	2.7
189.12694	0.8
189.16347	0.9
193.10341	1.1
193.12177	8.9
195.11765	1.2
195.13803	3.2
197.13252	1.3
199.14819	1.9
201.12608	1.0
203.14235	1.0
205.12193	1.1
205.16045	1.0
207.11755	0.8
209.13333	1.0
211.14983	0.8
213.12726	1.3
215.14241	1.4
217.15869	4.3
221.13196	1.2
223.14864	1.3
225.12625	1.1
227.12740	2.2
229.15814	1.1
231.13744	1.5
233.13223	0.8
233.15308	1.2
239.14322	1.4
249.14847	2.2
251.16283	0.9
255.17513	1.2
257.15369	2.0
259.17096	1.0
267.15970	1.4
269.17465	1.1
271.17004	1.1
273.18393	0.8
287.16428	1.0
323.23764	1.7
333.21982	1.3
341.24640	2.4
351.23206	8.6
359.25726	1.3
369.24170	14.8
387.25229	9.6
388.25812	0.9
405.26306	1.6
407.25681	1.2
417.26373	2.9
425.26904	1.7
443.27722	25.1
444.28543	0.8
461.28882	100.0
462.29254	4.5
475.13205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01870	2.9
55.05507	13.3
55.93519	3.1
57.03422	8.0
57.07068	13.4
61.02920	29.5
66.72561	2.5
67.05499	14.2
69.03426	17.0
69.07068	14.5
69.37804	24.1
70.03748	2.7
71.04974	2.8
71.08603	7.1
72.93782	16.0
73.02889	9.3
74.63371	2.2
79.05471	10.3
81.03407	24.2
81.06631	2.5
81.07047	24.4
82.07379	2.5
83.04969	4.3
83.08608	13.2
85.02893	40.5
85.10204	3.6
86.08505	2.2
90.94801	9.7
91.03940	19.8
91.05444	7.7
93.07024	17.4
94.07364	5.3
95.04936	7.3
95.08592	27.9
96.08913	6.5
97.02869	20.5
97.10149	6.5
99.04438	5.1
101.02335	3.1
105.07001	17.7
106.07333	6.3
107.08565	28.5
108.08878	7.5
109.02869	4.0
109.06529	2.6
109.10141	19.9
110.10496	5.9
111.08062	5.0
119.08560	28.9
120.08876	9.7
121.10150	18.2
122.10475	7.8
123.11681	10.4
127.03892	6.9
127.11176	5.2
128.96297	7.0
129.06970	4.5
130.97917	3.9
131.08531	8.6
132.95763	12.2
133.10092	19.6
134.10405	9.2
135.08057	2.7
135.11650	19.5
136.12021	8.0
138.98347	4.4
144.95784	11.4
145.10106	8.1
146.10489	3.9
146.97366	6.9
147.11681	16.7
148.11986	7.8
148.98903	3.0
149.09569	3.1
149.13205	11.1
150.13629	5.4
150.96855	5.8
154.97871	3.1
157.10046	5.5
158.97456	6.0
159.11668	9.1
160.12000	5.9
161.13239	13.9
162.13574	8.2
162.96814	11.1
163.14809	4.2
164.04776	5.5
164.15155	2.8
164.98483	3.1
168.95816	5.0
170.97339	3.9
172.98894	3.1
173.13220	7.9
174.96867	6.4
175.11197	3.0
175.14716	3.6
176.15146	3.0
176.98508	3.2
183.06476	5.0
185.13272	3.6
186.96863	38.2
187.14774	5.7
188.98563	3.4
189.03569	2.6
189.16336	10.0
190.16690	9.2
191.17924	3.2
192.99565	2.7
193.12219	12.9
198.96832	7.6
201.02055	3.4
201.16391	14.5
202.16653	13.3
203.17850	6.4
204.18309	6.0
204.97864	4.0
211.13237	13.9
215.17844	6.5
216.18250	6.1
216.97882	9.9
217.19470	4.3
218.19763	6.1
219.04637	2.7
219.17422	6.6
220.17743	4.5
227.99510	4.2
234.98932	8.7
242.06891	5.1
251.07521	27.5
251.57527	6.2
252.20442	3.1
258.00739	2.7
265.05145	20.0
267.15930	3.4
271.58646	5.7
283.06226	100.0
284.06470	12.9
285.16953	18.6
301.07291	32.3
306.07776	14.9
307.08182	3.3
313.27335	22.2
314.27487	3.6
324.08954	13.3
325.08881	2.7
332.10046	3.4
357.09680	4.3
424.36636	31.6
442.38147	15.9
460.38916	19.2
475.32809	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	459.3825
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
53.03946	1.6
55.05507	11.7
57.07061	6.0
65.03927	1.9
67.05495	16.1
69.07053	21.5
69.37513	3.4
69.37914	14.2
71.04980	10.9
79.05474	14.4
81.07042	35.8
83.08604	10.1
90.50826	1.5
91.05458	15.1
93.06456	2.9
93.07027	37.4
95.04938	2.8
95.08595	60.5
97.10162	3.3
99.08072	7.8
105.07016	41.3
107.08580	79.4
109.10139	45.2
111.08060	4.2
111.11713	2.9
115.29047	1.9
117.07027	3.9
119.08562	78.2
120.08919	1.8
121.10123	58.5
123.08059	4.7
123.11679	36.3
127.11178	20.1
130.07813	1.9
131.08569	10.5
131.09352	1.7
133.10109	67.6
135.08052	1.8
135.11668	69.8
137.09537	2.1
137.13213	7.3
143.08540	2.4
145.10086	35.0
145.11121	2.7
146.10596	2.1
147.11662	50.6
149.09570	1.7
149.13242	29.8
151.11208	2.4
157.10112	5.8
158.10860	2.0
159.11662	39.1
160.12480	3.0
161.13235	64.8
163.11174	2.6
163.14801	18.6
165.12727	1.8
171.11668	4.6
172.12453	2.2
173.13243	16.1
175.14815	26.3
177.16344	9.6
179.14349	11.2
185.13268	2.6
185.55566	1.5
187.14784	23.2
189.16348	55.2
191.14313	2.9
191.17906	10.6
193.15970	2.2
199.14723	2.8
201.16347	77.5
202.16708	2.4
203.17928	41.4
205.15845	4.2
205.19429	1.7
205.68744	1.7
207.17421	9.7
213.16339	3.6
215.17943	28.2
217.19481	41.4
219.17419	23.0
221.18927	3.7
227.17841	2.1
229.19466	3.1
231.21213	1.9
233.18976	14.1
235.20522	2.6
237.18723	2.2
241.19644	1.8
243.21011	5.7
245.19057	2.0
245.22662	2.3
251.20082	5.6
261.22165	4.3
273.26016	2.9
367.20883	1.8
405.35022	6.6
423.36151	100.0
424.36401	5.8
441.37238	50.7
442.37463	2.8
459.38306	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3825
Annotation	Protoprimulagenin A
Peak:m/z	Relative Intensity
53.03936	1.2
55.05502	7.1
57.03436	1.4
57.07064	4.3
61.02916	1.9
62.42803	0.9
63.86535	0.7
65.03938	0.8
65.04276	0.7
67.05492	12.6
69.03428	1.1
69.07057	16.1
71.04995	0.8
71.08611	2.5
73.02905	1.1
79.05476	6.9
81.03407	1.7
81.07038	20.8
83.04972	2.8
83.08611	5.7
85.02909	2.3
85.06520	0.8
85.10170	1.3
89.06004	1.7
91.03961	0.9
91.05447	5.5
93.07027	19.5
95.04965	1.5
95.08591	38.2
96.08901	0.8
97.02892	1.7
97.06522	1.7
97.10141	3.1
98.21547	1.2
99.08096	1.1
105.07011	8.4
107.08579	28.8
109.06493	2.0
109.10136	25.0
111.08062	1.4
111.11689	1.6
117.06995	1.3
119.08559	12.9
121.06512	2.6
121.10130	20.5
122.10452	1.0
123.08054	3.1
123.11694	8.8
125.09659	1.2
127.11167	0.8
129.07074	0.8
131.08557	2.6
133.08571	0.8
133.10103	10.0
135.08063	3.9
135.11674	15.6
137.09618	2.9
137.13257	3.7
139.07574	1.6
143.08569	1.8
145.10092	5.0
147.08031	2.0
147.11668	8.7
149.09604	2.2
149.13232	14.9
150.13551	0.7
151.11198	1.5
153.09113	0.8
153.12729	1.3
155.05501	0.7
157.10092	2.0
159.11632	5.1
161.09659	3.6
161.13255	6.2
163.11159	7.4
163.14780	6.3
165.09276	0.9
165.12767	0.9
171.11673	2.6
173.13246	4.6
175.11221	2.9
175.14816	7.2
177.12730	2.9
177.16412	2.6
179.14291	0.9
185.13202	1.3
186.96779	0.7
187.11098	1.9
187.14813	4.4
189.12718	8.8
189.16357	8.4
191.10657	1.4
191.14340	2.3
191.17924	5.5
193.15907	0.8
197.13246	1.1
199.14763	1.6
201.16435	4.9
203.14255	4.3
203.17987	3.3
205.15884	6.8
205.19487	3.6
207.13802	1.3
207.17397	5.0
213.16425	1.2
215.14374	1.9
215.18016	2.4
217.15863	3.8
217.19536	1.2
219.17450	8.5
219.21091	2.6
221.15294	1.4
227.17970	1.2
229.19501	1.1
231.17416	2.3
233.18993	1.5
241.19667	0.8
243.21025	1.2
251.20184	0.8
265.05286	1.5
281.06775	1.0
281.22617	0.9
283.06161	6.1
301.07315	1.7
306.08026	1.3
311.23679	4.1
313.27612	1.5
316.18094	1.0
329.24692	2.0
331.26117	1.2
339.26959	0.9
340.27539	0.7
341.28256	1.0
357.27948	0.9
405.35056	2.3
423.36224	11.4
441.37384	33.0
442.32388	0.9
442.37656	1.8
459.38321	100.0
460.38922	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	459.3822
Annotation	Protoprimulagenin A
Peak:m/z	Relative Intensity
55.05495	2.3
57.01976	0.5
57.07055	1.4
58.26395	0.5
59.04976	0.5
67.05498	2.6
69.07065	4.6
69.67621	1.7
69.68042	2.3
71.04627	0.9
71.04981	8.5
79.05467	3.0
80.44633	0.5
81.07042	7.9
83.04990	0.7
83.08590	2.6
85.06506	1.2
89.06007	5.4
91.05455	4.1
93.07026	10.2
95.08593	11.2
99.08056	0.8
105.07020	10.1
107.08578	17.4
107.15398	0.5
109.06491	0.6
109.10146	7.4
111.08059	1.5
117.07030	0.9
119.08549	13.1
121.06516	0.6
121.10123	12.0
123.08048	2.2
123.11675	3.6
125.09602	2.1
127.11172	4.3
131.08534	3.1
133.10103	13.8
135.08026	1.0
135.11665	7.7
137.09602	0.9
137.13249	1.2
143.08591	0.6
144.09309	0.9
145.10091	8.2
147.11659	21.9
149.13223	13.1
151.11139	1.0
158.10799	0.6
159.11664	16.1
161.13217	8.4
163.11198	1.2
163.14778	9.0
163.16051	0.6
165.12700	1.1
171.11617	1.0
173.13268	3.7
175.14783	4.9
177.12746	0.9
177.16409	1.4
179.14247	0.7
187.14796	4.4
189.16341	21.6
191.17900	3.0
193.15819	0.6
201.16364	8.3
203.17888	7.2
207.17403	4.5
213.16386	1.0
215.17944	4.3
217.19514	3.3
219.17410	17.4
233.18935	5.1
235.20534	1.4
237.18420	6.8
243.21185	0.7
257.22580	1.0
261.22058	0.9
275.23779	1.1
277.21530	0.8
405.34869	1.3
423.36118	9.6
441.37231	13.1
441.43185	0.9
459.38260	100.0
460.38531	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3825
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
53.03939	1.9
55.01855	1.5
55.05254	1.2
55.05504	17.0
57.07067	7.1
59.04988	1.1
65.03931	1.6
66.20123	0.6
67.05496	40.8
69.07059	27.2
69.29629	7.4
71.05000	1.3
71.08609	2.2
79.05480	10.8
81.03398	4.4
81.07046	37.3
83.04992	0.9
83.08607	16.7
85.06524	2.9
85.10172	1.0
91.05466	10.8
93.07030	32.9
95.04951	4.2
95.08593	66.1
96.08945	0.6
97.06527	0.9
97.10165	12.8
98.54111	0.7
99.08079	2.2
105.07016	13.4
107.08578	61.7
108.08907	1.0
109.06499	2.6
109.10140	100.0
110.10479	1.7
111.08064	2.1
111.11707	2.8
113.09619	0.7
117.07006	1.7
119.08566	30.1
121.10129	26.5
122.93872	0.8
123.08052	1.8
123.11691	22.3
125.09616	1.7
125.13263	2.5
131.08560	3.3
133.06485	1.0
133.10107	12.8
135.08047	1.8
135.11676	25.5
137.09599	44.7
137.13226	7.9
139.11188	1.0
143.08546	0.8
145.10135	5.3
147.11674	9.3
149.09595	1.4
149.13239	23.9
151.11183	0.9
151.14832	3.5
153.09114	1.4
153.12810	0.9
155.10826	0.8
157.10080	2.3
159.11684	5.7
161.13226	16.6
163.11172	3.4
163.14795	21.5
165.12749	2.8
165.16347	0.8
169.10086	1.0
170.10796	0.8
171.11674	2.5
173.13223	4.6
175.11119	1.5
175.14798	8.4
177.12766	1.2
177.16365	8.5
179.10689	0.8
179.14349	1.4
181.12196	1.8
183.11673	0.9
183.13785	3.8
185.13304	3.2
187.14798	4.4
188.15387	0.8
189.12701	1.7
189.16330	4.6
191.14302	4.8
191.17931	4.8
193.15825	1.9
197.11584	0.7
199.14876	1.8
201.16330	5.3
203.14322	2.7
203.17906	4.6
205.15918	2.2
205.19453	3.5
207.13860	1.9
207.17473	1.0
209.15341	1.6
211.13177	1.2
213.16289	1.0
215.17953	1.5
217.15919	1.5
217.19551	5.2
219.17453	2.7
219.21021	3.5
221.15359	2.1
221.19005	1.8
223.16777	0.8
227.17937	0.7
229.19437	1.2
231.21046	2.4
233.22643	9.0
235.20546	1.6
239.16312	1.6
241.19559	1.7
243.21165	1.0
245.19046	1.2
255.21082	1.2
257.22577	1.0
259.24414	0.8
261.22189	0.7
261.25656	0.9
269.22748	0.9
279.20987	0.7
281.22574	2.4
287.23657	1.9
287.27356	6.2
297.22159	2.0
297.25552	0.6
299.23730	3.4
305.28366	12.0
305.31683	1.1
308.48801	0.7
315.23190	1.3
317.24786	1.6
327.27057	0.8
339.26706	1.3
357.27896	1.2
367.29730	0.7
371.29413	0.7
374.28326	0.8
383.33057	1.0
395.37326	0.7
405.35358	1.9
413.37970	0.8
423.36191	10.9
441.37354	10.9
459.38275	53.6
460.38577	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3462
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
51.65479	2.0
53.78524	2.0
55.01849	2.2
55.05504	17.6
57.07062	5.8
65.01142	2.1
67.05502	16.7
69.07058	20.4
69.28982	4.0
69.29391	23.3
71.04986	14.6
79.05486	17.5
81.03403	12.8
81.07037	29.5
83.04973	3.9
83.08591	10.6
91.05463	21.3
93.07036	42.4
95.04974	5.7
95.08592	52.2
95.09155	3.6
97.06520	5.1
97.10172	2.3
97.64175	1.9
99.01187	2.0
99.08076	3.7
105.07015	40.8
107.04958	2.9
107.08578	78.0
109.06486	5.7
109.10142	51.5
111.08075	4.3
117.07010	5.4
119.08561	66.6
120.63158	1.9
121.06530	4.9
121.10126	55.6
123.08055	7.2
123.11696	28.2
125.09630	10.6
127.11182	26.4
129.07008	4.8
131.08545	21.8
133.10110	64.6
135.08075	5.8
135.11670	60.9
137.09587	7.9
137.13258	5.0
139.11150	3.0
143.08549	8.6
144.09267	3.6
145.06468	3.6
145.10103	40.4
147.08063	3.2
147.11667	79.5
149.09605	5.7
149.13222	25.2
151.07530	3.7
151.11160	2.1
153.09068	4.6
153.12656	2.6
153.58307	2.2
157.10104	11.1
158.10858	3.7
159.11673	62.7
161.09592	5.3
161.13232	39.0
163.11153	7.5
163.14865	10.4
164.02449	2.1
165.09111	7.1
165.12740	19.1
169.10144	2.4
171.11664	10.1
173.09639	2.4
173.13257	20.8
174.58781	2.2
175.11148	7.2
175.14771	22.5
177.12753	5.2
177.16360	4.8
179.10645	3.9
179.14316	4.9
183.75397	2.8
185.13246	7.7
187.11295	2.6
187.14774	23.3
189.12785	4.8
189.16362	32.1
191.14282	5.6
191.17944	9.7
193.12265	4.2
193.15976	3.8
197.11620	3.6
197.13254	2.7
199.14819	8.4
201.16368	69.3
203.14275	18.6
203.17921	26.6
205.15840	4.7
207.17514	12.8
211.14827	2.8
213.16380	7.6
215.14404	3.7
215.17932	18.5
217.15906	6.0
217.19485	11.5
219.17415	7.9
221.15335	6.2
221.18983	8.7
223.16963	7.1
227.17920	2.6
231.17480	2.6
231.20914	2.1
233.15421	2.9
233.19032	11.0
235.17015	3.3
235.20557	7.1
237.95415	2.0
239.16321	5.3
245.19112	4.9
263.19965	3.7
271.20633	2.3
343.26239	3.6
355.26154	5.3
361.27264	6.7
367.22467	2.8
373.27460	5.0
385.23587	4.6
395.33014	7.4
405.31393	6.9
413.34192	4.6
423.32379	29.3
431.35147	3.7
441.33496	100.0
442.34009	8.2
459.27383	15.4
459.34656	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.346
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
55.05491	4.1
57.07042	1.7
67.05495	6.0
67.05801	1.1
67.93460	0.8
69.07045	5.0
69.60484	5.6
71.04979	5.6
79.05471	4.6
81.07043	10.5
83.08602	2.6
83.60152	0.7
91.05467	5.2
93.07027	15.1
95.04960	1.5
95.08595	14.2
95.50368	0.7
97.06510	0.8
97.10147	1.3
99.08079	5.6
101.36074	0.8
105.07015	9.5
107.08576	37.3
109.06509	1.1
109.10139	12.7
110.92258	0.7
111.08089	1.2
117.06947	1.5
119.08560	37.2
121.10114	8.3
123.08024	1.1
123.11684	25.0
125.09576	1.7
127.11166	8.4
131.08524	2.4
133.10107	31.5
135.11664	100.0
136.12004	2.5
137.09610	1.6
137.13177	1.2
139.11168	0.7
143.08528	1.2
145.06418	0.9
145.10098	5.5
147.11656	11.4
149.09540	1.0
149.13208	3.0
155.08493	1.2
155.10742	0.8
157.10098	1.1
159.11690	2.8
160.12347	1.1
161.13232	38.9
162.13574	1.4
163.14796	2.3
169.10083	0.7
171.11633	1.3
173.13245	2.7
175.14789	3.3
177.16324	0.8
185.13255	0.8
187.14754	2.5
189.16321	2.8
191.14299	1.1
193.12305	0.8
201.16240	1.0
203.17920	68.9
204.18216	3.2
207.17534	0.8
215.17943	0.8
219.17419	0.8
221.18968	55.7
222.19405	2.1
229.15842	0.7
229.19455	1.6
235.16917	2.5
273.22040	2.0
291.23157	8.7
395.33139	1.5
413.34125	2.9
423.32736	1.0
430.74506	0.9
431.35126	59.8
432.35580	5.2
441.33795	0.9
459.27301	2.6
459.34604	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	459.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01870	4.4
55.05259	1.0
55.05502	13.1
57.03420	2.0
57.07059	0.9
61.27059	0.5
63.82999	0.5
65.03922	1.2
66.30050	0.5
67.05496	20.0
67.32049	0.6
69.03405	2.6
69.07059	7.2
70.28171	2.1
71.04977	1.3
79.05479	15.9
79.19530	0.5
81.03405	10.1
81.06572	1.0
81.07044	18.7
83.04978	3.7
83.08611	5.4
85.02901	0.8
85.06522	1.2
91.05463	19.0
93.06461	0.9
93.07031	13.5
94.60789	0.6
95.04956	13.0
95.08585	7.9
97.06539	3.4
97.10152	6.0
103.05432	1.6
105.07022	16.4
107.04945	7.9
107.07854	0.8
107.08578	12.5
107.95369	0.6
109.06524	3.3
109.09366	0.6
109.10134	11.3
111.04388	1.1
111.08081	2.2
113.06033	0.7
115.05401	1.7
117.06995	6.0
119.04907	1.6
119.08562	8.9
119.79211	0.6
121.06487	6.3
121.10139	5.0
123.04391	1.6
123.08044	2.7
123.11701	2.8
125.09608	7.7
128.06181	2.1
129.06961	4.6
131.04907	1.3
131.08553	8.8
133.06453	3.1
133.10104	14.6
135.04451	0.8
135.08031	3.9
135.11658	4.7
137.05954	1.6
137.09604	2.7
139.11130	0.6
141.06937	2.2
142.07767	1.3
143.08539	3.8
145.06480	5.1
145.10106	5.6
147.04425	0.9
147.08040	4.3
147.11658	3.2
149.05989	1.3
149.09584	3.1
149.13271	1.0
151.07524	3.0
151.11162	4.7
153.07063	0.8
153.09122	2.7
155.08554	4.5
157.06458	1.6
157.10071	4.0
159.08031	4.0
159.11662	3.4
161.05943	1.4
161.09604	3.0
161.13208	1.6
163.07552	0.7
163.11134	2.9
165.09106	3.1
167.07080	0.7
167.08522	1.0
168.09312	0.7
169.08842	0.7
169.10068	2.6
169.12180	1.2
171.08037	2.3
171.10284	0.6
171.11617	3.0
173.09610	2.8
173.13266	1.8
175.07423	1.1
175.11179	2.7
177.12675	0.7
179.08450	0.8
179.10675	1.2
181.10109	1.3
183.11642	1.7
185.09673	2.1
185.13277	1.3
187.11169	1.6
187.14795	1.6
189.09587	0.8
189.11206	3.6
189.12723	1.3
191.10660	2.2
193.12244	4.2
195.11700	1.5
197.09625	0.9
197.13290	2.2
199.11179	1.9
199.14838	0.7
201.12718	0.9
203.10745	0.9
203.14313	1.3
205.12199	1.4
207.11906	0.6
207.13768	2.0
208.14696	0.6
209.13287	1.0
211.14944	0.8
213.12741	1.3
215.14398	3.5
217.12259	1.0
219.13881	1.1
223.11237	1.3
225.12643	1.0
227.14313	1.0
229.15901	0.6
231.13779	1.1
233.15302	3.8
237.12671	1.0
239.14301	0.7
241.12259	1.0
245.15314	1.0
247.13254	0.8
249.14879	1.0
255.13805	0.9
257.15402	1.5
259.13364	0.9
269.15311	1.0
271.16937	1.4
273.14926	1.2
282.12234	0.5
287.16373	2.1
289.17813	0.8
321.22104	1.1
331.20493	0.7
339.23190	3.0
349.21472	4.9
357.24179	4.1
361.20410	1.2
367.22595	17.3
385.23660	33.8
386.24002	0.6
403.24936	4.4
413.26993	0.8
423.25278	1.6
429.49258	0.6
441.26126	4.4
459.27338	100.0
460.27740	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71412	1.1
53.03927	3.6
55.01868	6.7
55.05503	45.1
57.03413	4.1
57.07066	2.2
59.04981	1.7
65.03938	2.8
67.05495	42.4
69.03419	5.3
69.06706	1.6
69.07062	18.6
71.04996	5.8
71.62257	1.5
79.05485	39.8
81.03421	7.0
81.07043	45.0
83.04972	6.7
83.08601	23.2
85.06523	2.4
91.05470	34.5
93.03399	1.2
93.07036	26.2
95.04942	7.0
95.08595	28.9
97.06515	4.2
97.10156	40.1
99.08074	1.7
103.05459	16.3
105.03378	1.2
105.07016	33.0
107.04929	7.7
107.07855	1.8
107.08580	33.7
109.06492	6.3
109.09458	1.3
109.10152	16.4
111.08092	6.7
111.11674	1.3
115.05443	9.7
116.06190	1.3
117.07001	39.4
119.04912	1.4
119.08566	29.2
121.06506	5.7
121.10129	21.9
123.08093	6.0
123.11656	5.1
125.09613	30.4
127.07554	1.0
127.11204	2.6
128.06224	4.5
129.06990	21.9
131.04909	3.4
131.08549	32.3
131.74811	1.1
133.06482	9.1
133.10115	16.4
134.04506	1.0
135.04372	1.2
135.08032	10.0
135.11661	11.3
137.09573	4.2
137.13231	1.6
141.06972	8.1
142.07790	1.4
143.08546	12.8
143.10654	1.5
144.09332	1.2
145.06445	12.5
145.10100	17.5
147.08018	5.8
147.11652	8.9
149.09598	6.9
149.13264	6.3
151.11134	2.7
151.14798	1.0
153.07014	2.5
153.09067	3.1
153.12627	1.5
153.79178	1.1
154.07849	1.2
155.08528	13.1
155.10608	1.2
156.09332	1.3
157.06471	4.7
157.10088	10.6
159.08012	5.9
159.11690	15.9
161.09601	3.6
161.13245	7.0
163.11174	3.5
163.14796	3.0
165.07043	1.4
165.09073	3.3
165.12680	1.1
167.08517	4.5
169.10106	10.6
171.08031	5.0
171.10307	2.1
171.11665	8.0
173.09573	3.0
173.13242	9.5
175.11166	2.4
175.14783	7.0
177.12776	1.9
177.16342	1.2
179.10677	1.3
179.14316	1.1
180.09183	1.1
181.10124	3.4
181.12149	2.0
182.10902	1.3
183.08029	1.2
183.11710	3.5
183.13763	1.2
185.09615	2.3
185.13165	5.5
187.11200	2.3
187.14767	17.3
189.11194	20.5
189.12701	1.6
189.16336	8.5
191.10733	1.6
191.14355	2.0
191.17905	1.6
193.10124	1.6
193.12263	2.6
193.15930	1.0
195.11700	5.1
197.11484	1.2
197.13240	18.2
199.11095	1.6
199.14803	2.8
201.12688	1.6
201.16362	11.8
202.00807	1.1
203.10558	1.3
203.14252	2.1
203.17931	3.1
205.15842	2.6
207.17436	1.4
209.13200	3.2
211.14865	2.7
213.12706	4.4
213.16345	1.5
215.14287	67.5
216.14503	1.4
217.15933	1.7
217.19464	3.6
219.13841	1.2
219.17374	1.4
223.11127	3.4
223.14874	1.3
225.12650	2.0
227.12689	24.0
227.17915	1.3
229.19495	1.3
231.13792	2.2
233.15359	4.2
235.20573	2.9
237.12686	2.6
239.14314	1.8
239.17957	1.4
241.12238	4.0
245.13643	2.2
251.14326	2.0
253.15897	1.8
253.21642	2.5
255.13754	1.5
259.13187	1.5
269.15277	2.3
271.16913	4.5
273.14743	2.5
287.16287	1.6
321.22055	2.0
325.84479	1.2
331.20618	2.1
339.23111	3.7
349.21545	9.6
357.24213	2.4
367.22559	27.8
385.23715	21.8
395.29416	4.7
403.24695	6.9
405.24155	1.8
405.31683	2.4
413.30606	2.3
423.25021	2.4
423.32596	5.1
441.26270	56.8
441.33389	8.5
442.26514	1.7
443.92560	1.2
459.27328	100.0
459.34378	10.9
460.27298	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01865	4.8
55.05502	15.1
57.03423	3.3
57.07070	0.7
59.19554	0.6
62.39763	0.6
65.03923	2.1
67.05492	21.9
69.03422	3.1
69.07059	5.9
71.02021	1.3
71.02395	0.9
71.04985	1.9
74.58257	0.5
79.05481	26.0
79.44944	0.6
81.03406	47.4
81.07044	20.6
83.04969	5.8
83.08604	13.8
85.02876	1.0
85.06540	1.6
91.05468	26.6
93.07029	14.3
95.04956	20.2
95.08591	11.0
97.02845	1.0
97.06506	2.9
97.10157	8.9
99.08118	0.8
105.03366	0.7
105.07018	17.1
107.04936	12.2
107.05609	1.0
107.08572	9.7
109.06487	4.3
109.10145	5.5
111.04416	1.1
111.08059	4.4
113.00176	0.5
115.05437	1.6
117.06998	7.7
119.04910	1.5
119.08561	12.5
121.06504	6.1
121.10122	4.4
123.04404	2.1
123.08041	3.5
123.11716	1.1
123.33060	0.6
125.06006	1.2
125.09609	7.0
128.06213	1.5
129.06979	10.8
131.04938	2.7
131.08554	12.4
133.06476	5.9
133.10107	8.2
135.08076	3.6
135.11682	1.7
137.05917	0.8
137.09596	1.6
141.06984	2.2
142.07756	2.9
143.08575	4.4
144.05719	0.9
145.06470	14.6
145.10120	4.5
147.04399	1.4
147.08041	5.2
147.11655	7.4
149.09598	3.6
149.13261	0.7
151.07510	1.3
151.11145	1.2
153.09102	2.0
153.12735	0.8
155.08508	2.8
156.09236	0.6
157.06467	2.0
157.10095	9.2
159.08015	4.9
159.11668	1.9
161.05937	2.7
161.09583	1.7
163.07573	0.7
163.11180	2.6
165.09088	3.7
165.12733	1.7
167.07126	0.9
167.08492	1.1
168.09279	0.7
169.06496	1.0
169.10100	2.9
171.07970	3.5
171.10298	0.7
171.11705	2.4
173.09569	1.7
173.11852	0.7
173.13313	1.5
175.07568	0.7
175.11148	7.1
175.14708	0.6
179.08527	1.1
181.10132	0.7
183.08022	1.5
183.11714	1.6
185.09593	1.9
185.13264	2.3
187.11105	1.3
187.14772	1.4
189.11197	3.6
189.12666	1.3
191.14326	0.7
193.12216	27.8
195.11664	1.8
197.09560	1.4
197.13196	3.2
199.11200	1.8
203.14360	0.9
205.10222	0.8
205.12183	1.6
207.11765	0.8
209.13246	0.8
211.11203	1.2
211.13229	1.7
213.12682	1.3
215.14302	2.1
219.13939	0.8
223.11139	1.4
225.12759	1.4
227.14371	1.9
231.13850	1.7
233.15237	2.8
235.11279	1.0
237.12752	2.3
239.14293	0.9
243.13734	1.0
249.14822	3.4
255.13824	2.9
257.15475	1.2
259.13104	0.6
267.15887	0.9
271.16901	1.0
273.14819	10.0
281.15329	0.8
282.72250	0.9
283.17023	0.9
287.16388	1.8
289.17755	0.7
321.22156	0.7
324.29007	0.6
325.17743	0.6
331.20566	0.8
339.23108	2.8
349.21548	7.4
357.24146	3.0
361.20386	0.7
367.22626	24.1
368.23029	1.0
385.23709	21.9
386.24176	1.1
387.22995	0.8
403.24747	5.2
405.24277	1.6
415.25342	0.6
423.25296	1.5
441.26117	5.7
459.27332	100.0
460.27628	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	459.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
55.05499	1.1
57.03452	0.9
59.98392	0.8
69.03414	2.5
69.91657	1.0
71.04977	2.4
71.59461	1.0
71.62195	1.6
71.62565	0.9
73.02906	4.1
79.05483	1.9
81.03403	1.5
81.07056	2.7
85.02891	2.3
85.06540	0.9
91.05450	4.8
93.07026	1.9
94.04173	3.0
95.04959	2.6
103.05437	2.5
105.07029	3.4
107.04903	1.4
107.08609	1.5
107.42403	0.9
109.06499	2.0
109.10147	1.3
111.04421	1.5
115.05460	3.4
117.07025	2.8
119.04930	2.9
119.08553	1.1
121.06481	1.8
122.03634	5.7
123.08057	3.0
129.06990	2.9
131.04916	4.0
131.08580	1.8
133.06482	2.2
135.08046	1.3
135.11711	0.9
137.05959	100.0
143.04922	2.7
143.08551	1.7
145.05020	0.9
145.06447	2.5
146.03546	1.1
147.04372	2.5
147.08037	2.7
147.11670	1.5
149.05956	1.2
151.03897	2.3
151.07535	16.9
153.06921	1.2
155.08559	1.7
157.06493	3.0
157.10165	1.1
159.08064	1.6
160.05176	3.5
161.05981	5.6
161.09584	1.4
163.07521	8.3
163.75153	1.0
165.05411	1.1
165.09106	1.8
167.07030	2.0
168.85094	0.9
169.06493	1.7
171.08089	2.6
174.06761	2.8
175.07524	21.1
175.11067	1.0
177.05447	5.4
177.09064	5.4
179.07014	3.9
181.06532	1.4
183.08080	2.9
185.06017	1.0
187.07544	4.0
189.09084	7.5
191.06995	4.9
191.10695	1.5
193.08618	2.9
195.10118	12.1
197.09764	0.9
199.07535	2.3
201.09120	3.8
203.07021	3.9
203.10667	2.0
205.08559	2.2
207.10132	1.6
209.08072	1.3
211.07535	2.0
213.09068	2.3
215.06966	2.0
215.10674	1.7
217.08521	6.3
219.10167	9.4
221.08035	2.2
221.11752	1.2
227.10814	1.1
229.08519	1.7
231.08073	1.3
231.10179	2.3
233.11600	4.4
235.07536	1.0
235.09650	4.1
237.11147	1.0
239.10771	0.9
241.08591	2.8
243.10077	1.7
248.08328	1.3
249.08969	1.6
249.11234	1.1
251.12773	2.6
253.08582	1.1
257.09555	1.5
259.09741	1.8
259.13309	1.1
261.08929	1.6
261.11227	8.9
263.06979	1.2
265.08682	1.2
273.08942	1.7
274.09811	1.7
275.10394	1.4
276.07574	1.3
277.08533	2.4
277.12247	1.0
279.09781	1.3
279.12589	1.9
281.08316	1.0
283.10120	1.0
290.09424	1.3
291.10083	2.5
293.08292	1.8
293.11447	1.0
297.11380	2.0
299.12732	3.8
303.10199	1.6
305.08511	1.0
305.11160	4.3
307.09686	1.4
309.11111	4.5
311.12772	4.1
317.11517	1.5
321.11420	1.5
322.12283	1.4
323.12827	2.5
325.14233	1.2
329.13953	1.2
331.13007	1.0
335.12729	3.8
337.14359	3.8
341.13638	1.6
343.15234	4.2
349.14340	2.1
351.45535	1.1
353.13785	1.6
355.15366	5.6
357.16989	1.5
365.13739	1.7
367.15430	8.1
379.15375	1.3
381.16956	2.6
385.16431	3.0
395.18185	1.7
405.17194	1.7
407.47644	1.2
423.17880	5.5
441.18991	1.9
459.20135	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59113	1.0
56.96550	3.6
57.03429	2.6
61.02927	2.3
69.03419	7.5
70.63371	2.4
71.05028	1.2
73.02917	2.5
81.03412	3.1
81.07059	1.6
85.02902	8.9
91.05470	2.2
93.40956	1.2
97.02876	10.9
98.21063	1.8
98.97576	5.7
101.00866	3.0
105.00365	1.4
107.04972	1.2
109.02885	4.0
111.04387	1.5
113.00873	1.3
116.98620	4.0
118.00410	1.1
118.01116	7.2
119.01908	16.1
119.04934	2.4
121.06475	1.8
127.03899	5.2
131.01913	9.6
133.03532	3.1
134.99673	1.5
136.02214	1.5
137.02994	4.5
137.05963	36.9
142.01183	1.9
143.01875	8.9
143.03397	2.8
144.02782	2.1
145.03455	9.9
145.04518	1.2
145.04924	1.3
147.04341	6.6
149.02969	2.0
153.01819	23.3
154.02173	2.7
155.01836	6.8
156.02658	5.2
157.03474	4.3
158.99791	1.3
160.02155	6.8
161.02957	19.3
163.03870	1.3
163.04596	1.7
167.07080	1.4
168.02679	3.9
171.65071	1.3
172.02162	2.5
173.02931	13.2
174.03680	2.5
175.04927	3.6
177.00728	3.1
177.03964	1.5
178.00983	2.1
179.02034	1.3
179.07027	2.7
181.03453	3.8
182.04355	2.1
184.02174	2.9
184.04485	2.5
185.02855	5.8
185.06549	1.5
186.03708	3.6
187.04533	2.0
192.02649	1.2
194.04245	2.1
195.05017	18.8
196.02132	12.9
197.02960	6.1
198.03903	1.3
199.04497	4.0
201.02573	1.5
202.03178	1.6
203.03960	7.5
205.03462	3.1
205.05461	1.8
210.03804	2.3
211.04434	1.3
213.06079	3.2
213.59532	1.2
217.08911	1.4
218.04375	2.1
219.01811	2.0
219.05016	24.0
221.03055	2.2
221.05014	22.3
222.03731	5.5
223.02493	1.3
223.04611	8.6
224.05309	1.6
225.06099	2.8
225.08258	1.2
226.03319	3.8
231.05084	5.1
233.06577	1.8
234.03783	1.8
235.04523	2.8
236.05266	5.3
237.02824	3.1
237.06062	31.8
239.03981	1.8
240.04784	5.1
244.04262	96.1
245.04831	8.0
246.03745	5.1
247.04533	8.2
248.05197	2.1
249.06076	11.2
251.07678	2.5
252.04848	2.5
253.01933	1.4
253.05496	3.0
255.07085	1.8
259.04544	9.4
260.05383	2.0
261.06067	16.4
262.05252	15.1
263.05865	2.1
264.04788	18.3
265.05515	3.9
267.07123	5.7
272.05075	1.6
276.04691	2.9
279.00150	2.7
279.04202	1.4
279.07104	23.0
288.04678	3.0
289.05408	1.6
291.06940	7.5
293.08545	2.4
297.05048	1.9
297.08160	16.0
300.04788	3.5
302.08957	2.0
303.07083	2.8
307.06543	21.0
309.08221	7.4
320.07425	2.6
321.08093	18.4
323.09842	3.5
325.07687	1.6
333.08118	2.3
336.06876	19.2
339.09232	4.7
348.06870	67.2
349.07407	5.1
351.09119	7.8
354.08105	1.7
363.09216	26.6
366.07962	11.3
369.10269	7.6
381.10294	87.1
382.10464	3.7
387.11447	3.5
389.09689	3.1
392.12158	1.3
399.11353	100.0
400.11630	4.8
404.11966	2.0
411.11368	3.7
417.12424	12.9
422.12836	5.3
441.12659	2.2
459.13696	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88481	0.3
55.01851	0.3
55.05489	0.5
56.05030	0.4
57.03415	0.8
58.11570	0.3
59.04985	0.5
65.03915	0.4
67.05498	0.4
69.03397	1.2
70.06561	1.0
71.01321	0.4
71.04990	2.1
71.61635	0.4
71.62014	0.4
73.02890	0.4
74.06052	0.8
81.03390	1.2
81.07030	0.6
83.04954	1.5
85.02891	2.3
85.06519	0.5
87.29890	0.3
89.06032	0.4
91.05452	1.1
93.07017	0.7
95.04938	0.5
95.08572	0.4
97.02868	1.4
99.04455	0.6
101.05988	0.4
103.05436	1.2
105.03420	0.4
105.06996	0.8
107.08577	0.6
109.02855	1.2
109.05060	0.5
109.10172	0.7
111.04453	0.3
112.07605	0.4
113.05913	0.3
116.10414	0.4
119.08601	0.4
120.06561	1.1
121.06543	0.4
123.08004	0.4
124.03852	0.4
127.03922	1.7
127.07558	0.7
131.04906	5.5
131.07033	0.8
132.07304	0.4
133.04959	0.5
134.04594	10.7
135.02998	0.5
135.04425	0.3
137.05943	0.9
137.09590	0.4
138.09132	0.5
139.03865	1.4
140.02744	0.7
140.07028	0.9
143.03279	0.5
144.04692	0.5
145.04939	1.1
145.08560	2.6
146.08894	2.0
147.04382	1.3
149.05923	0.9
149.99922	0.7
151.03824	1.6
152.05698	2.3
153.01804	4.2
154.02107	0.7
158.97435	0.4
160.02437	0.4
163.07497	0.5
165.02286	8.5
167.02663	0.7
169.04932	0.3
171.04323	0.4
178.03564	1.2
182.04935	81.3
183.03314	0.5
183.05106	0.4
193.00504	0.8
208.02850	100.0
209.03040	1.4
234.98987	1.3
267.06863	0.4
277.85391	0.3
293.10019	0.4
314.09058	0.9
327.08643	62.4
328.08847	0.8
340.07132	0.8
356.33481	0.4
411.10861	2.7
435.89276	0.4
459.12424	0.6
459.18338	1.7
477.81198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88481	0.3
55.01851	0.3
55.05489	0.5
56.05030	0.4
57.03415	0.8
58.11570	0.3
59.04985	0.5
65.03915	0.4
67.05498	0.4
69.03397	1.2
70.06561	1.0
71.01321	0.4
71.04990	2.1
71.61635	0.4
71.62014	0.4
73.02890	0.4
74.06052	0.8
81.03390	1.2
81.07030	0.6
83.04954	1.5
85.02891	2.3
85.06519	0.5
87.29890	0.3
89.06032	0.4
91.05452	1.1
93.07017	0.7
95.04938	0.5
95.08572	0.4
97.02868	1.4
99.04455	0.6
101.05988	0.4
103.05436	1.2
105.03420	0.4
105.06996	0.8
107.08577	0.6
109.02855	1.2
109.05060	0.5
109.10172	0.7
111.04453	0.3
112.07605	0.4
113.05913	0.3
116.10414	0.4
119.08601	0.4
120.06561	1.1
121.06543	0.4
123.08004	0.4
124.03852	0.4
127.03922	1.7
127.07558	0.7
131.04906	5.5
131.07033	0.8
132.07304	0.4
133.04959	0.5
134.04594	10.7
135.02998	0.5
135.04425	0.3
137.05943	0.9
137.09590	0.4
138.09132	0.5
139.03865	1.4
140.02744	0.7
140.07028	0.9
143.03279	0.5
144.04692	0.5
145.04939	1.1
145.08560	2.6
146.08894	2.0
147.04382	1.3
149.05923	0.9
149.99922	0.7
151.03824	1.6
152.05698	2.3
153.01804	4.2
154.02107	0.7
158.97435	0.4
160.02437	0.4
163.07497	0.5
165.02286	8.5
167.02663	0.7
169.04932	0.3
171.04323	0.4
178.03564	1.2
182.04935	81.3
183.03314	0.5
183.05106	0.4
193.00504	0.8
208.02850	100.0
209.03040	1.4
234.98987	1.3
267.06863	0.4
277.85391	0.3
293.10019	0.4
314.09058	0.9
327.08643	62.4
328.08847	0.8
340.07132	0.8
356.33481	0.4
411.10861	2.7
435.89276	0.4
459.12424	0.6
459.18338	1.7
477.81198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03400	1.5
61.02908	1.2
69.03422	6.6
69.83322	2.0
69.83737	4.7
70.06569	2.3
72.08125	3.2
73.02892	2.0
80.16545	1.1
85.02895	13.6
91.03959	1.1
97.02864	5.0
98.97582	3.0
101.00847	1.7
109.02884	1.8
116.07040	3.3
116.98481	1.1
117.72984	1.1
118.08617	2.9
119.01907	6.0
127.03875	4.3
133.03427	1.7
137.05948	2.7
143.01860	2.2
145.03409	2.8
145.04883	3.4
147.04985	1.3
152.06941	1.3
153.01762	2.1
153.05667	1.1
155.01884	2.7
157.03424	1.5
158.99576	1.4
160.02094	1.2
161.02922	2.8
166.07213	1.6
171.04967	1.4
173.02873	3.1
183.05008	1.6
185.02919	1.9
187.04535	1.1
203.03996	1.7
205.03465	1.1
211.00906	1.4
221.04865	3.1
237.06039	2.3
244.04231	3.2
245.04906	3.6
246.05212	1.4
259.07666	1.6
273.08176	3.0
274.08157	1.2
275.06079	1.5
279.03720	1.9
288.04758	1.2
297.07867	1.6
297.14444	1.2
307.06384	2.1
318.30042	1.0
336.06647	3.3
348.06747	2.6
363.09140	1.4
369.10257	2.6
381.10284	2.0
399.11176	2.6
459.08798	100.0
460.09116	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	458.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
57.03422	1.1
57.36085	0.6
67.05486	0.8
69.03427	2.3
70.61890	0.9
70.62277	1.2
71.04984	38.0
73.09870	0.5
77.37486	0.4
77.39085	0.5
80.36369	0.5
81.03407	2.6
84.53394	0.4
85.02892	2.2
85.06537	5.3
95.04938	1.2
97.02882	2.6
99.04433	1.3
105.12424	0.5
106.98804	0.4
107.07057	1.1
109.02867	2.1
110.67389	0.5
113.06003	4.7
117.05499	1.1
127.03907	3.6
127.07539	16.7
129.50754	0.5
131.07024	11.2
137.04262	0.5
145.04912	1.5
145.08578	100.0
146.08890	0.9
147.10043	0.5
152.16379	0.6
155.06979	0.8
164.10677	1.0
173.08060	4.0
181.57753	0.4
185.08072	0.8
187.06017	0.5
191.09113	19.2
191.10805	1.0
194.36859	0.5
197.08080	0.8
251.11223	1.0
257.10245	0.7
261.13303	1.5
275.11255	2.3
299.11197	0.9
314.10315	0.5
317.12415	3.2
335.13306	9.5
402.59369	0.5
405.17520	4.5
423.18515	2.3
455.26904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99207	0.6
59.93627	0.7
61.27826	0.8
67.05463	1.1
67.62675	0.8
68.13640	0.7
69.03418	2.5
69.96238	4.0
70.06584	3.6
71.04980	36.6
81.03421	4.0
84.16975	0.8
85.02885	4.1
85.06519	5.6
86.09686	1.1
89.06007	1.1
91.05465	1.4
95.04940	2.1
97.02872	3.5
99.04418	1.7
105.06992	1.0
107.04915	0.8
107.07060	1.4
107.08614	0.9
109.02873	2.8
113.05994	6.1
117.05489	1.0
119.04886	1.5
124.88618	0.8
127.03844	4.5
127.07527	19.5
131.07027	9.9
133.10085	1.0
136.07550	0.8
137.05962	0.9
145.08577	100.0
146.06018	2.2
146.08881	2.2
147.04387	3.7
155.06987	1.6
157.09720	1.3
173.08090	2.6
191.09090	16.3
197.08109	1.1
260.10254	1.1
261.13205	0.9
275.11234	3.0
314.20242	1.0
317.12280	2.8
320.63223	0.8
335.13330	9.8
405.17438	4.6
423.18433	2.2
436.19656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01192	0.5
55.05491	1.6
57.03415	1.3
57.30643	0.6
59.05004	3.9
60.04496	0.7
67.05489	1.0
69.03426	3.6
69.07064	3.2
70.06580	1.0
70.86961	2.0
71.04984	40.1
72.08153	1.4
73.02912	0.6
74.06042	0.6
74.30245	0.7
80.51619	0.5
81.03420	4.4
83.04963	1.0
85.02896	5.5
85.06534	5.7
88.21097	0.5
89.06009	1.4
91.05511	0.6
95.04942	1.8
95.08583	1.7
97.02868	5.0
99.04427	1.8
99.44305	0.6
101.06005	1.0
103.05445	1.4
106.06541	2.3
107.04971	0.7
107.07062	1.2
109.02871	3.5
109.06454	0.7
109.10105	0.7
109.11900	0.6
113.05972	6.7
115.07529	1.0
117.05459	1.7
119.04934	1.2
127.03898	4.4
127.07539	19.6
129.09047	0.6
129.12695	1.0
131.04938	4.4
131.07019	13.3
137.05937	0.7
143.07019	8.1
145.04926	1.9
145.08578	100.0
146.08917	2.5
147.03267	0.6
147.04387	9.8
147.10139	1.4
147.65594	0.6
148.07542	2.6
149.09564	0.6
151.05287	0.6
153.01782	1.2
155.06952	1.0
161.08099	1.1
163.03976	0.9
164.07005	0.8
173.08081	3.0
185.08063	1.3
187.06009	0.7
190.08566	3.6
191.09129	18.8
201.91258	0.6
207.13759	1.7
207.33873	0.5
233.10170	0.7
251.11107	0.7
257.10315	1.1
261.13269	1.2
275.11276	2.8
305.12228	1.1
309.09647	0.6
313.99319	0.6
317.12259	3.7
335.13293	9.4
405.17493	5.0
423.18713	3.1
459.18341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3671
Annotation	Microfokienoxane B
Peak:m/z	Relative Intensity
53.03925	1.7
55.05509	10.8
57.07051	4.9
60.42958	1.4
60.70707	1.4
65.03925	2.4
67.05165	2.8
67.05495	33.2
69.03410	3.1
69.06710	2.2
69.07057	25.9
69.28381	19.1
70.41277	1.5
71.04977	4.3
71.08594	1.7
75.80190	1.7
79.05479	17.8
81.07046	47.9
83.04968	9.7
83.08616	7.4
85.06530	3.1
91.05470	17.4
93.06464	2.5
93.07036	42.9
95.04961	4.7
95.08595	53.2
96.08922	2.1
97.06511	3.9
97.10149	3.1
100.50665	1.5
105.07017	45.3
106.07362	1.5
107.04964	1.7
107.08583	62.4
109.06490	5.6
109.10144	100.0
110.10455	2.0
111.08024	3.3
111.11696	2.3
115.70354	1.5
117.06979	4.5
119.02586	1.4
119.08563	51.4
120.08903	3.3
121.06484	5.3
121.09304	2.7
121.10133	40.2
123.08060	9.1
123.11678	17.4
125.09580	2.6
127.11188	7.2
129.06993	2.7
131.08554	11.3
133.06519	1.9
133.10109	42.0
134.10422	2.6
135.08049	13.9
135.11670	33.3
137.09572	3.2
137.13219	4.2
142.07718	1.7
143.08510	6.4
145.10121	23.0
147.08026	3.4
147.10623	3.0
147.11673	29.8
149.09578	6.9
149.13231	16.0
151.11121	3.6
155.08540	2.5
156.09373	2.4
157.10088	9.1
159.11682	21.3
161.09602	5.8
161.13237	30.8
162.13560	2.3
163.11128	3.7
163.14822	11.1
165.12775	3.4
169.10075	3.4
170.10814	2.1
171.11659	6.8
173.09601	3.1
173.13252	9.9
174.75655	1.5
175.11124	5.4
175.14798	16.5
177.12759	4.5
177.16339	4.2
183.11656	3.6
185.13248	5.2
187.11072	2.5
187.14824	14.2
189.12724	5.7
189.16374	24.3
191.14278	5.0
191.17923	8.7
193.15788	3.2
195.11729	2.6
197.13275	3.6
199.14850	7.2
201.12679	2.4
201.16338	11.9
203.14320	4.5
203.17964	12.1
204.18277	2.8
205.15791	5.7
207.17445	2.3
211.14836	2.5
213.16312	5.6
215.14319	4.9
215.17947	5.7
217.15825	6.9
217.19443	15.7
219.17230	2.6
225.16354	2.3
227.17958	3.2
229.15791	2.1
229.19389	3.1
231.17374	4.8
241.19377	2.5
243.17465	2.9
243.21083	2.4
255.20969	1.7
257.18973	1.9
259.20697	1.9
267.21094	2.6
269.22443	2.5
285.22293	2.1
294.45245	1.6
311.23444	5.6
313.25278	2.0
315.23218	1.7
329.24619	5.9
339.26804	5.3
403.33237	3.6
411.35626	3.2
421.35098	16.8
439.36172	36.8
457.37415	62.3
458.37253	3.5
484.06989	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3671
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
53.03944	1.6
55.01869	2.1
55.05502	15.0
57.07074	6.3
59.05003	3.8
65.03934	3.1
67.05498	20.2
67.53635	1.3
69.03437	5.0
69.07062	27.0
71.04999	9.7
71.62782	2.6
79.05480	15.3
81.03423	3.1
81.07045	43.3
81.07505	2.2
83.04979	5.7
83.08604	12.4
85.02901	1.7
85.06545	3.8
88.10870	1.6
91.05468	19.2
93.07036	29.8
95.04967	6.9
95.08595	58.0
97.06522	9.5
97.10183	5.7
99.08115	5.1
105.07014	35.4
105.07647	2.0
106.84462	1.4
107.04991	2.5
107.08580	51.4
109.06544	6.1
109.10144	43.4
110.10480	2.0
111.08083	3.7
111.11745	2.0
115.05485	1.5
117.07048	6.4
119.04954	2.0
119.08562	100.0
120.08910	3.6
121.06535	5.4
121.10121	37.5
123.08037	8.5
123.11696	18.5
125.09634	8.3
127.11160	10.4
129.07010	2.8
131.08559	17.8
133.06558	2.1
133.10115	44.3
133.11037	2.8
135.08078	6.9
135.11668	21.0
137.06000	2.8
137.09663	6.0
137.13237	9.0
139.11198	2.1
142.07790	2.4
143.08591	8.5
143.10677	3.5
144.09337	2.3
145.10106	28.5
147.08095	5.0
147.11662	32.7
149.09630	8.6
149.13258	20.2
151.11108	1.6
151.14844	3.1
153.01778	2.0
157.10120	11.0
158.10880	1.9
159.08119	1.9
159.11671	30.0
159.12778	2.3
160.12154	1.7
161.09671	5.3
161.13252	22.1
163.11247	5.0
163.14807	11.9
165.09062	12.9
165.12820	3.2
167.07098	2.9
169.10191	5.6
170.10899	1.8
171.11652	11.9
172.12402	2.5
173.09657	2.5
173.13234	26.1
173.14615	1.7
175.11195	7.9
175.14822	22.7
175.16225	1.8
177.09041	2.6
177.12802	3.8
177.16310	10.9
181.10255	2.7
181.12300	1.4
183.11752	6.3
185.09747	1.7
185.13228	14.9
187.11261	4.1
187.14778	22.0
189.12718	3.7
189.16368	25.3
191.14201	7.3
191.18025	3.9
193.15976	2.1
195.11719	1.9
197.13190	8.3
199.14798	14.6
201.12912	1.7
201.16367	23.9
202.16818	1.7
203.14409	5.1
203.17972	14.2
205.12364	1.6
205.16000	5.4
205.19527	7.1
207.17514	3.6
209.13367	2.1
211.14970	5.1
213.16397	8.4
215.14384	2.7
215.17883	9.3
217.15875	11.1
217.19466	15.7
219.17542	4.3
223.14940	2.2
225.16515	3.8
227.17941	6.8
229.19548	3.1
231.17448	2.5
231.21107	3.3
233.19157	2.3
235.16922	13.7
239.18004	3.8
241.19449	8.9
245.19360	1.8
247.16907	3.7
251.18016	2.0
253.19705	1.8
255.21149	2.4
259.20566	2.3
267.21036	1.9
271.20718	1.6
277.21829	2.9
279.21082	2.9
285.22531	1.7
289.21802	1.4
299.23938	2.0
303.23209	2.8
337.25360	1.6
337.28876	1.9
371.30121	1.7
381.31824	4.9
383.22086	2.0
383.29929	1.6
393.31705	4.7
403.33691	2.3
411.32593	2.0
421.34900	27.3
439.35931	49.4
440.36041	4.1
457.26346	3.8
457.37021	99.3
458.37286	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	457.3668
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.05487	1.6
57.07059	2.1
67.05501	3.4
68.48843	0.7
69.07056	5.0
70.80507	0.6
70.80856	1.8
71.04985	4.9
79.05470	2.9
81.07043	9.6
83.08585	2.0
85.10162	0.6
86.91579	0.5
88.07612	1.7
89.06017	2.2
91.05468	3.1
93.07025	12.6
93.07610	0.7
93.14390	0.6
95.08585	10.6
97.10120	0.8
99.08073	4.3
102.09155	1.2
105.07003	11.6
105.07663	0.9
107.08573	15.9
109.06541	0.7
109.10132	8.1
117.06999	1.0
119.08557	12.4
121.10122	25.5
123.08010	2.9
123.11707	2.2
127.07544	2.4
127.11161	2.3
129.07057	0.6
130.89174	0.6
131.08537	5.0
133.10103	8.1
135.11658	7.6
137.09599	6.8
137.13246	1.5
142.07726	0.7
143.08585	1.6
145.10104	15.5
147.07976	3.3
147.11661	12.7
149.09587	6.7
149.13214	4.2
151.11186	3.7
157.10133	4.4
159.11671	7.3
161.09570	1.1
161.13222	6.1
162.13466	0.5
163.11176	2.4
163.14787	10.9
165.12711	1.5
171.11621	2.1
173.13214	4.0
175.11206	2.2
175.14787	10.0
177.16362	1.5
179.14352	1.0
183.11668	0.6
185.13246	1.4
187.14799	5.8
189.12697	0.8
189.16348	17.7
190.16808	0.8
191.14279	0.7
191.17847	2.6
193.15909	0.8
197.13242	0.9
199.14790	4.2
200.20123	2.0
201.16306	3.2
201.20412	1.5
203.17891	3.2
205.15829	0.9
205.19455	0.9
207.17372	4.1
211.14813	1.1
213.16310	3.1
215.17992	2.3
217.15842	9.6
217.19412	0.9
219.17459	1.0
227.17964	1.0
229.15909	0.7
231.17322	2.6
233.19089	1.9
235.16910	6.3
241.19516	1.1
241.88660	0.6
245.19048	0.7
247.20599	1.1
259.20593	1.0
267.21069	0.7
273.22073	1.7
283.26382	1.7
284.26505	3.3
285.22107	2.6
299.23889	1.0
347.53772	0.6
351.30417	2.1
353.28308	1.0
359.29718	1.3
367.29840	0.7
369.27850	0.6
369.31595	4.2
403.33652	1.2
421.34448	6.1
439.35648	11.2
457.36743	100.0
457.44156	9.9
458.36984	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3668
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
52.10574	0.5
55.05505	3.1
57.07045	0.9
67.05491	5.2
69.07052	5.1
71.04982	3.6
71.07275	1.6
73.55840	0.5
79.05482	2.5
80.76244	0.4
81.07043	7.3
83.04952	1.7
83.08591	1.4
91.05453	3.1
93.07024	10.1
95.08595	13.9
97.06525	0.9
99.08071	2.5
105.07003	5.8
107.08574	18.4
109.06501	1.1
109.10135	18.2
109.10898	0.7
111.08059	1.0
111.11708	0.6
117.06962	0.7
119.08556	15.2
121.06484	1.7
121.10125	12.9
121.10990	0.6
122.10510	0.5
123.08042	1.6
123.11676	9.2
125.09613	0.8
127.11169	3.5
131.08554	2.0
133.06479	1.4
133.10103	14.0
133.11070	0.9
135.08023	5.3
135.11661	24.9
137.09593	1.9
137.13243	2.4
138.61795	0.4
139.11145	0.6
143.08572	1.0
145.10088	6.2
147.08015	2.0
147.11655	10.0
149.09601	1.5
149.13228	7.0
151.11208	0.7
151.14789	0.6
153.12759	1.0
157.10101	1.9
159.11668	4.7
161.08401	0.5
161.09572	2.7
161.13222	8.9
163.11154	9.0
163.14793	1.9
171.11679	1.3
173.13248	3.3
175.11293	2.4
175.14801	4.9
177.12712	3.9
177.16353	2.2
183.11676	0.7
185.13237	2.0
187.14775	5.5
189.12704	8.9
189.14536	0.5
189.14853	0.6
189.16336	5.5
191.14229	0.9
191.17928	1.8
193.15738	0.5
199.14796	1.6
199.62770	0.5
201.12762	0.6
201.16327	2.3
203.14287	3.8
203.17900	8.6
205.15842	8.5
207.13866	0.8
207.17441	0.9
213.16357	1.9
215.14253	0.6
215.17902	1.8
217.15895	4.9
217.19421	5.6
219.17389	2.4
221.15303	0.6
221.19049	1.0
223.16809	0.6
225.16414	0.8
227.17950	0.6
229.19423	0.6
231.17444	4.1
233.19022	1.7
235.20515	0.7
239.18034	0.5
249.18460	1.2
252.21249	0.5
255.92885	0.5
259.24182	0.7
271.20651	0.6
335.27133	0.5
341.28351	1.0
353.28287	0.7
403.33456	1.0
421.34589	7.2
422.34985	0.6
439.35651	28.4
440.35904	2.1
457.36700	100.0
458.37033	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	457.3667
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.03914	1.4
55.05500	5.8
57.07066	3.7
67.05492	12.2
69.03416	1.7
69.07053	12.8
69.34914	2.9
69.35318	13.7
71.04984	17.6
79.05489	6.1
81.07037	18.7
82.07699	1.5
83.08610	5.2
85.06509	2.1
91.05437	9.2
93.07023	23.3
95.08587	50.2
97.06555	2.5
97.10131	2.4
98.21529	3.1
99.08105	1.7
103.34210	1.3
105.07010	22.8
107.08568	36.5
107.09277	2.1
109.06549	2.0
109.10135	39.0
111.08049	2.4
111.11700	2.4
117.06985	2.7
117.36753	1.3
119.08558	45.2
121.10120	33.7
121.70670	1.3
123.08020	3.8
123.11681	10.4
125.09637	3.7
127.11163	31.9
129.06976	1.5
131.08533	11.1
133.10106	31.8
135.08057	3.2
135.11659	22.9
137.09607	2.5
137.13271	5.7
141.12709	1.6
141.21486	1.5
142.07854	1.4
143.08559	6.3
144.09438	1.4
145.10103	22.9
147.11668	28.0
147.12758	2.0
149.09605	5.2
149.13251	12.9
149.73647	1.5
151.11018	2.2
153.12764	2.2
156.09312	1.8
157.10112	10.8
158.10916	1.8
159.11656	26.7
161.13242	20.4
163.11150	3.5
163.14799	11.1
165.12810	1.5
169.10141	4.6
170.10992	1.8
171.11676	11.2
173.13216	20.6
174.13791	1.6
174.66760	1.5
175.11235	1.8
175.14775	15.0
177.12759	1.6
177.16367	4.5
179.14320	1.8
182.10992	1.7
183.11752	4.6
184.12434	1.8
185.13199	11.3
187.14792	18.7
189.12695	2.2
189.16345	26.6
191.14282	8.3
191.17940	4.4
193.15886	1.7
195.11751	1.8
197.13235	7.3
199.14795	21.9
201.16339	36.3
203.14368	1.9
203.17924	8.2
205.15919	2.8
205.19505	2.8
207.17480	2.7
209.13289	1.8
209.15347	2.9
211.14818	4.4
213.16408	7.0
215.17860	10.4
217.15895	5.4
217.19525	6.5
219.17488	5.4
225.16415	3.3
227.18005	3.6
229.19441	3.4
231.17487	3.3
231.21048	2.7
233.19000	6.6
235.16838	13.0
237.18666	1.5
239.17932	2.9
241.19585	3.8
245.18980	2.6
249.18568	2.7
251.17778	1.8
253.19566	5.4
255.20921	1.5
259.20575	2.8
267.21146	6.2
279.20908	2.0
285.21863	2.1
293.22565	2.5
295.24026	1.9
299.23932	3.3
303.23343	1.7
335.27429	4.3
343.26233	2.0
351.26685	2.4
353.28439	2.7
359.29486	4.6
371.29315	3.5
403.33743	4.8
410.52832	1.6
421.34576	67.2
422.34991	3.8
439.35663	89.2
440.36072	2.6
457.36810	100.0
458.37189	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	457.3668
Annotation	Microfokienoxane A
Peak:m/z	Relative Intensity
51.84392	1.3
55.05490	4.9
57.07052	2.2
59.04996	1.5
67.05489	7.2
67.81827	1.2
69.07052	11.1
69.54156	3.2
69.54585	8.1
71.04979	11.4
79.05470	3.5
81.07043	19.0
83.08603	4.1
91.05472	3.8
93.07026	15.2
95.04977	2.0
95.08598	27.5
95.09210	1.1
97.06503	1.3
97.10139	1.4
99.08044	1.4
105.07011	14.9
107.08568	22.5
109.06516	1.4
109.10135	21.0
119.08556	23.9
121.10130	18.3
123.08034	2.8
123.11713	6.4
127.11175	20.7
131.08554	5.9
133.10117	39.5
135.08060	1.6
135.11667	11.7
137.09612	3.4
137.13213	8.6
137.57271	1.4
143.08566	2.8
145.10083	20.4
147.11667	16.5
149.13257	12.2
153.12677	2.1
157.10100	8.3
158.10785	1.7
159.11659	26.1
161.13211	12.4
163.11166	1.9
163.14851	7.1
169.10031	1.8
170.10913	1.6
171.11646	6.9
172.12477	3.6
173.13248	20.8
175.11208	1.3
175.14822	10.3
177.12769	1.9
177.16364	3.6
183.11699	4.4
184.12466	3.1
185.13206	11.5
186.13965	1.3
187.14806	12.6
189.16353	12.4
191.14276	16.2
191.17940	3.0
195.98769	1.3
197.13341	6.7
199.14787	45.8
201.16356	100.0
202.16704	4.0
203.18037	1.9
205.15952	3.9
207.17377	2.1
209.13292	1.8
211.14819	4.6
213.16266	3.7
215.17923	9.3
217.15894	7.1
217.19438	7.0
219.17563	1.7
219.21007	1.5
225.16393	4.0
227.17934	4.5
233.18939	7.2
235.20526	6.8
237.16362	1.9
239.17958	3.5
241.19565	3.9
243.21101	1.7
249.18353	1.4
259.20499	6.5
265.19324	2.2
267.20889	2.0
277.21692	5.2
281.22678	2.6
317.24649	1.4
323.08185	1.5
335.27173	6.3
343.26373	2.4
365.28372	1.7
369.27798	3.6
403.33286	9.1
404.33731	2.1
421.34570	84.4
422.35086	5.2
439.35696	43.6
440.36154	4.8
447.65628	1.3
457.36765	57.7
458.36893	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	457.3672
Annotation	Aegicerin
Peak:m/z	Relative Intensity
53.03939	0.9
55.05502	4.7
57.07067	1.7
59.05007	0.7
65.03934	0.6
67.05495	19.1
69.07062	9.4
71.04975	3.2
78.76917	0.5
79.05482	4.8
79.23712	0.6
81.07050	17.4
83.04967	1.7
83.08611	3.4
85.06516	0.9
91.05470	5.2
93.07034	13.0
95.04960	1.2
95.08598	19.5
97.06500	0.7
97.10160	1.8
99.08093	1.5
101.93477	0.6
105.07023	10.5
105.07687	1.2
107.07852	1.1
107.08583	20.8
109.06509	1.2
109.10144	55.2
110.10457	0.8
111.04554	0.5
111.08026	1.2
111.11692	0.7
117.07014	0.6
119.08569	22.8
120.08943	1.2
121.06487	0.9
121.10126	15.6
123.08071	2.4
123.11681	6.9
125.09628	1.2
127.11189	2.6
131.08551	4.1
133.10114	13.6
133.11073	1.0
135.08058	3.2
135.11685	9.8
137.09636	2.0
137.13275	2.2
143.08562	1.3
145.10112	7.1
147.08031	1.1
147.11676	12.5
149.09650	3.1
149.13260	5.9
151.11201	0.9
151.14891	0.8
151.45561	0.6
153.12735	1.5
157.10139	3.0
159.11674	6.6
160.12000	0.7
161.09584	3.8
161.13239	9.1
163.11145	3.5
163.14830	4.1
165.12791	0.9
169.10100	0.9
171.11665	2.8
173.09634	1.0
173.13248	7.7
175.11209	2.3
175.14815	6.1
177.12720	2.0
177.16367	3.1
183.11723	1.1
185.13255	2.3
187.11247	1.0
187.14799	4.6
189.12749	3.6
189.16389	6.2
191.14276	1.6
191.18013	1.5
193.15878	1.0
199.14810	3.4
201.16362	5.4
203.14221	3.2
203.17921	4.8
205.15799	4.0
205.19589	0.7
207.17445	4.3
209.13228	1.0
211.14914	0.9
213.16438	1.5
215.14346	1.4
215.18050	1.9
215.68855	0.6
217.15906	4.2
217.19518	6.7
219.17471	0.8
225.16391	1.3
227.17859	1.6
229.15848	0.9
229.19516	1.7
231.17476	2.0
233.19128	1.0
235.16876	2.8
241.15761	0.7
241.19566	2.1
243.17377	1.2
245.18987	0.8
249.18590	1.8
253.19502	1.0
259.20624	0.9
271.20581	0.6
271.97998	0.7
281.22607	0.7
293.22812	0.8
295.24246	0.7
297.22061	0.7
303.23386	0.6
311.23715	2.4
329.24716	2.0
331.26443	0.8
339.26837	0.8
347.27414	0.8
365.27866	0.8
383.29703	1.0
403.33646	1.2
421.34674	7.7
429.37421	1.1
439.30801	0.8
439.35852	13.8
457.36786	100.0
458.37082	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	457.3307
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
55.05512	6.8
57.07061	3.6
57.34248	1.1
67.05493	8.6
69.03408	1.8
69.07056	12.5
70.29607	3.1
71.04991	1.3
79.05486	5.6
81.07044	22.8
83.08600	4.7
85.06536	3.4
91.05470	6.7
93.07019	18.2
95.04977	4.1
95.08592	35.3
97.06489	1.8
97.10152	2.6
99.08092	1.1
105.07012	16.5
107.08580	27.6
109.06500	4.0
109.10138	21.8
111.08073	3.1
111.11729	2.1
117.07003	2.6
119.07844	0.7
119.08563	27.1
121.06477	2.7
121.10126	28.8
123.08071	4.9
123.11687	11.7
125.09595	1.9
127.11146	2.6
129.07031	2.5
131.08516	6.6
133.10104	23.5
135.08017	8.6
135.11655	17.5
137.09543	3.3
137.13251	6.0
142.07787	1.2
143.08591	2.7
145.10078	12.4
147.08015	2.3
147.11674	17.5
149.09593	3.3
149.13243	7.6
151.11197	2.0
151.14822	2.0
153.09035	1.2
156.09349	2.1
157.10092	8.8
158.34950	1.2
159.11667	14.5
161.09624	3.2
161.13254	15.0
163.11189	3.5
163.14795	7.3
165.09395	0.9
165.12781	1.9
167.10634	1.2
169.10091	2.2
171.11646	4.8
173.13251	9.2
175.11194	4.4
175.14804	10.3
177.09102	1.2
177.12750	2.3
177.16362	4.1
179.14310	2.0
183.11728	1.5
185.13229	3.9
187.11172	2.6
187.14818	8.2
189.12756	4.4
189.16350	22.6
191.14204	1.4
191.17963	10.4
197.13287	3.6
199.14719	7.1
201.16374	7.1
203.14352	3.2
203.17914	9.8
205.15857	2.7
205.19484	2.8
207.17346	5.4
211.14804	2.0
213.16388	2.8
215.14172	1.5
215.17938	4.1
217.12254	1.5
217.15932	7.4
217.19501	4.0
219.17448	2.7
227.17958	2.1
229.15863	4.0
229.19518	4.1
231.13838	1.6
231.17371	4.4
231.21042	3.8
233.18864	2.0
235.16875	4.2
237.16333	1.3
241.15958	1.2
241.19310	1.2
243.21092	2.5
249.18532	3.4
255.17422	2.4
255.20943	2.8
259.20508	1.5
261.18723	1.5
269.22684	1.6
271.20627	1.5
281.22546	2.0
283.16849	2.0
285.22064	1.3
297.21848	1.4
301.17950	3.3
355.29727	1.3
369.31516	1.7
375.30682	1.2
393.31323	12.0
393.35471	1.3
411.32303	34.8
412.32861	2.0
421.30063	10.6
421.35101	4.3
439.31619	100.0
440.32437	3.6
457.37119	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.5
55.01860	0.9
55.05487	1.7
57.03430	45.9
59.04995	8.1
61.02915	0.8
67.05492	1.3
69.03426	5.4
70.06576	1.3
71.04974	2.2
71.61623	0.9
72.08117	0.8
73.02898	1.0
79.05474	0.9
81.03406	5.0
81.07043	1.7
83.04987	5.0
85.02900	7.2
85.06517	0.7
85.07627	0.6
87.04459	1.2
89.06016	2.6
91.05453	1.3
93.07014	1.0
94.06605	0.6
95.04940	1.1
95.08611	0.6
97.02878	5.8
99.04443	9.5
99.08080	0.9
101.06007	7.5
105.07018	1.5
107.04913	1.0
109.02863	5.0
109.10133	1.8
110.06012	0.8
111.04421	0.7
112.07543	0.9
113.05988	0.9
115.03925	2.9
117.04646	0.8
117.05483	14.8
119.04897	1.0
119.07070	0.6
120.08067	0.7
122.06003	0.8
123.04428	1.3
124.07555	2.0
125.02322	0.7
126.09124	2.8
127.03905	10.2
127.11184	0.6
129.05461	17.0
131.07025	100.0
132.07349	1.6
132.95793	0.7
133.05009	0.9
133.06453	0.5
136.07568	1.5
137.05984	2.2
137.08084	1.1
138.09117	5.0
140.07050	3.2
141.05473	1.6
143.03389	2.1
145.04930	2.8
145.08543	0.8
147.04413	0.9
147.06526	3.4
151.07515	2.5
152.07037	2.7
153.01805	5.8
158.08118	1.1
159.06570	4.4
163.03864	0.8
163.07536	0.9
167.07074	0.8
171.06560	0.7
177.07559	11.0
179.06947	0.6
193.08662	0.7
209.04355	3.1
209.08066	0.8
215.07069	0.5
217.10733	0.6
234.99033	0.8
243.08698	0.7
248.07272	0.9
250.16937	0.5
259.14426	4.7
273.09592	0.8
277.00272	0.6
277.15445	5.3
285.09720	0.8
287.05505	0.7
291.10834	0.9
295.16467	4.1
303.10754	3.8
305.12280	2.0
312.65561	0.6
321.11728	4.2
337.07278	0.8
403.15991	1.5
421.16895	1.9
457.11060	1.0
457.16922	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.5
58.57184	0.4
67.05492	0.9
69.03417	4.4
69.32185	0.4
70.09122	1.6
71.04981	40.2
71.56413	0.4
81.03405	2.6
85.02871	3.0
85.06529	5.6
87.04460	1.1
91.26483	0.4
95.04956	2.1
97.02878	3.1
98.21364	0.6
99.04450	0.8
103.07545	1.0
105.05496	0.8
109.02862	2.3
113.05992	5.5
123.06541	0.9
127.03891	3.9
127.07532	17.2
131.07021	10.0
133.04968	1.4
141.05508	0.6
143.03397	2.0
145.04924	1.4
145.08572	100.0
146.08893	1.4
153.01804	3.4
171.02809	0.6
173.08098	2.7
187.05980	0.5
191.09117	9.4
202.54199	0.5
213.07616	0.6
241.10522	0.5
249.09470	0.4
257.10065	0.6
259.11694	0.5
267.10745	1.0
277.12671	0.4
291.10648	1.7
299.11292	1.1
309.69305	0.5
310.95340	0.4
317.12210	1.9
335.13348	3.9
418.53235	0.5
421.16919	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
55.05495	1.0
57.03428	45.3
59.05022	0.5
69.03425	1.7
71.04982	2.3
71.45969	0.6
71.93291	0.4
72.29824	0.5
73.02885	0.4
78.38578	0.4
79.05491	0.6
81.03412	3.0
83.04964	2.4
85.02895	2.6
87.26723	0.4
89.06018	2.3
97.02893	2.6
99.04442	10.1
101.06013	5.3
109.02866	2.0
109.81734	0.4
113.05965	0.7
117.05475	12.5
119.07053	1.7
127.03879	6.2
129.05467	0.9
131.07024	100.0
132.07335	0.7
137.08035	3.8
141.05426	1.3
145.04950	1.4
145.08583	2.1
146.08974	0.9
147.06508	1.0
153.01797	1.2
159.06508	6.8
171.25958	0.4
177.07553	15.0
187.06081	0.4
227.83830	0.4
230.85852	0.5
243.08684	0.4
285.09641	1.1
287.05557	0.5
303.10699	3.7
305.12216	1.9
321.11697	4.8
403.15970	1.4
421.16949	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91475	0.5
53.03953	0.5
55.01853	0.8
55.05494	1.3
55.33221	0.4
57.03428	41.9
59.04985	1.9
69.03417	2.9
69.07043	0.5
71.04995	2.8
71.45605	0.7
71.45956	0.6
73.02924	0.6
75.04472	0.7
81.03418	3.2
81.07014	0.9
83.04969	2.1
85.02904	4.4
85.06531	1.2
87.04430	0.6
89.06010	1.9
95.04922	0.5
97.02873	4.3
99.04441	11.9
101.05988	5.2
109.02859	4.1
109.06470	0.5
109.10182	0.5
113.05979	0.8
115.03898	1.3
117.04653	0.9
117.05479	15.7
119.07042	1.5
124.07495	0.5
125.02286	0.8
127.03897	4.9
127.07572	0.5
128.07864	0.5
129.05467	3.9
131.07021	100.0
132.07317	0.7
137.05972	1.0
137.08078	3.5
140.07022	0.5
141.05455	1.2
143.03378	1.2
145.04921	2.0
145.08604	3.7
146.08934	2.0
147.06500	1.5
151.07513	0.6
153.01797	4.8
159.06488	6.6
161.96217	0.4
164.07066	0.7
177.07571	14.5
191.07024	0.5
209.04413	1.5
227.09167	0.6
245.10204	0.5
250.37344	0.4
285.09705	1.2
287.05484	1.3
300.81598	0.5
303.10712	2.7
305.12302	1.3
307.13684	0.6
309.04425	0.4
321.11780	5.5
403.15909	1.3
421.16629	1.1
439.17731	0.6
457.11020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01855	0.9
55.05511	1.0
57.03425	0.9
65.03938	0.9
67.05487	1.2
68.01608	0.6
69.03417	26.4
69.46563	2.1
69.46980	4.4
71.04958	1.1
77.03930	1.2
79.05499	3.6
81.03416	1.2
81.07037	2.3
83.04970	1.3
85.02884	1.9
89.03893	1.5
91.05463	9.2
93.07025	3.2
94.04170	1.7
95.04963	7.3
95.08535	1.0
97.02852	1.0
99.04422	1.4
102.04670	3.5
103.05455	11.1
105.07021	9.4
107.04927	2.3
107.08607	1.0
109.02904	0.8
109.06487	4.0
109.40414	0.7
111.04427	49.5
115.05439	3.0
117.03344	1.6
117.06996	5.4
119.04930	8.4
119.08559	1.7
121.06499	10.3
121.10118	1.3
122.03616	3.2
123.04383	0.9
124.05202	1.9
128.06200	1.1
129.06975	2.6
130.04143	13.8
131.04913	37.6
131.08557	2.2
133.02838	9.9
133.06476	17.9
134.03641	0.7
135.04404	4.9
135.07991	1.0
137.05959	74.0
138.06287	1.0
141.06952	1.4
142.07632	0.8
143.04881	0.9
143.08557	2.1
145.06462	18.7
146.03603	6.5
146.07162	0.7
147.04390	28.4
147.08003	4.3
149.05965	28.2
149.09499	0.8
150.06743	19.6
151.03909	2.7
151.07515	4.4
152.08351	0.8
153.07027	1.5
155.08485	0.9
157.06511	1.5
157.10089	1.0
159.08047	5.2
160.05251	0.8
161.05959	77.7
162.06737	60.2
163.03954	1.4
163.07524	39.2
164.07866	0.9
165.05457	3.7
165.06859	1.4
169.06517	1.8
169.10100	1.4
171.07990	1.7
173.05971	20.5
175.07535	7.2
177.05460	9.4
177.06914	1.4
177.09023	1.3
178.07610	0.8
179.07021	10.8
179.08488	1.2
180.07762	1.2
181.06444	1.6
181.10103	1.6
183.07973	1.2
185.05995	2.4
185.09641	1.4
187.07529	15.7
189.05406	2.3
189.09065	1.3
191.06993	3.6
191.08524	1.4
191.83231	0.7
193.08597	1.7
194.07253	1.4
195.08086	1.3
197.05960	1.6
197.09633	1.7
199.07500	4.8
201.05530	1.6
201.09087	2.1
203.06993	3.0
205.08566	17.5
207.08049	1.3
208.08768	0.8
209.09544	3.3
211.07552	2.1
213.05478	1.1
213.09111	2.9
215.06998	3.4
217.08551	22.5
217.84859	0.7
219.08046	2.0
223.07678	1.7
223.11032	0.8
224.08189	1.2
225.09085	2.5
229.08572	4.6
231.10159	1.7
232.08890	0.8
233.07915	3.5
235.07465	1.3
235.09439	1.0
237.09056	4.1
239.07077	1.4
239.10616	1.8
241.08592	2.3
241.12221	1.4
243.10139	1.7
247.07452	1.3
247.09642	1.0
249.08960	1.6
249.11314	1.1
250.06091	0.9
251.10658	2.1
253.08582	3.1
254.09346	1.7
255.10107	1.3
257.07709	0.9
259.09628	3.0
263.06918	0.8
263.10712	1.7
265.08591	9.2
265.11670	1.0
267.10110	3.4
268.10751	1.4
269.11703	2.5
271.09555	0.9
273.08942	0.8
277.10864	2.1
279.10031	1.8
280.10922	0.9
281.11774	0.7
282.09021	1.1
283.09775	1.2
285.11182	36.8
286.11630	1.0
291.10147	3.2
293.11606	2.8
297.11176	100.0
298.11404	3.8
303.12473	4.0
305.11539	1.5
309.11200	5.0
310.11987	0.9
311.12714	20.0
315.12228	29.6
316.12790	1.3
321.11163	2.5
323.12717	27.2
324.13098	1.2
329.13736	2.3
337.10721	1.0
339.12305	1.2
341.13824	9.3
353.13901	1.1
359.14822	2.3
363.12292	1.1
381.13071	1.3
391.15308	1.0
398.15002	0.9
409.16232	3.0
421.16254	2.1
427.17609	3.9
439.17288	3.8
457.18869	2.5
457.24493	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34602	1.1
53.17971	1.1
55.01864	2.6
55.05482	1.2
66.93234	1.1
67.05485	1.8
68.27499	1.0
69.03424	22.5
71.04979	4.3
71.62280	2.0
72.95515	1.1
79.05495	4.4
79.49200	1.1
81.03398	2.0
81.07034	2.8
83.04971	1.8
85.02896	3.2
85.06539	1.7
89.03897	1.4
91.05477	9.9
93.06998	2.6
94.04137	1.5
95.04965	5.1
95.08639	1.7
97.02898	2.1
97.05812	1.1
97.06493	1.3
99.04483	1.7
102.04694	3.6
103.05455	10.9
105.07016	10.4
107.04935	1.8
107.08594	1.6
109.02868	2.0
109.06509	2.9
111.04424	44.0
115.05470	4.0
117.06998	5.5
119.04944	8.2
119.08593	1.5
121.06483	9.1
121.10178	1.4
122.03616	3.8
123.04462	1.6
127.03862	1.8
127.12428	1.0
128.06215	1.6
128.89326	1.0
129.05550	1.2
129.06992	2.1
130.04132	11.6
131.04910	40.2
131.08571	2.5
133.02820	9.9
133.06480	13.9
135.04437	4.9
137.05957	71.0
141.21054	1.1
143.08566	2.0
145.06464	18.7
145.08505	6.6
146.03601	9.1
146.08910	3.4
147.04402	24.0
147.08022	4.3
149.05969	27.7
150.06738	16.8
151.03918	4.0
151.07535	5.1
153.01828	3.4
159.08043	2.9
161.05965	76.5
162.06738	51.5
163.07518	37.2
163.08911	1.2
164.08095	1.4
165.05457	3.6
165.06946	1.6
166.08716	1.6
167.07036	4.3
167.08444	1.7
169.06479	2.3
171.08069	2.9
173.05959	17.7
175.07516	7.1
177.05467	9.4
177.08994	1.7
179.07005	8.7
180.07774	1.7
181.10057	1.9
183.08011	1.3
185.09622	1.2
187.07532	14.0
189.05379	1.5
191.06953	4.3
191.08694	1.9
192.09393	1.5
193.08553	3.7
194.07295	1.7
195.07994	2.5
199.07532	3.5
201.05515	1.9
201.09035	2.9
203.06976	2.2
205.08580	15.3
209.09648	3.6
211.07646	1.5
212.08466	1.2
213.05371	1.3
213.09070	3.5
217.08575	20.7
219.08138	2.9
225.09058	2.9
229.08585	4.0
231.10355	1.8
233.07947	2.0
237.09041	4.5
241.08527	1.9
241.12286	1.5
243.10098	2.1
247.07582	1.6
251.10582	2.1
253.08633	4.0
259.09705	2.9
263.10529	1.2
265.08682	7.6
267.07635	3.0
267.10168	1.7
268.10938	2.2
269.11774	2.1
271.09576	1.4
279.10202	1.9
285.11209	37.5
291.10049	2.8
293.11649	1.4
295.07132	6.2
297.11182	100.0
298.11584	3.4
303.12225	4.0
305.11713	1.6
309.11124	5.2
311.12793	16.4
315.12222	30.4
321.10922	2.1
323.12720	28.0
329.13824	3.3
336.13712	1.5
341.13712	12.2
353.13889	1.6
359.14795	4.4
369.13162	2.3
381.12946	1.6
395.14340	1.4
409.16391	3.1
421.16470	1.9
427.17474	3.2
439.17697	5.5
457.19666	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00481	0.8
55.05490	3.5
56.96559	0.8
57.07067	34.9
57.81861	0.9
59.04996	0.8
67.05492	5.5
68.05843	1.0
69.03413	1.1
69.07061	8.4
71.04976	1.1
71.08620	49.4
73.06546	8.0
74.50388	0.8
76.70587	0.7
79.05471	3.7
80.43462	0.9
81.03385	1.0
81.07045	7.5
82.07375	1.0
83.04972	1.5
83.08601	2.5
85.28679	1.0
87.04475	3.2
89.06017	100.0
90.06293	0.9
91.05456	3.1
93.07026	5.1
94.07365	0.9
95.04928	1.5
95.08598	7.0
96.08870	0.9
97.06500	0.8
97.10133	1.0
105.07026	5.2
107.07069	4.8
107.08588	7.2
109.10146	6.8
113.13274	5.5
117.06985	1.8
117.09130	5.6
119.08569	8.5
120.08866	1.6
121.10123	5.6
122.10438	1.4
123.08022	1.1
123.11674	3.1
127.11092	1.1
130.07788	0.9
130.08601	4.8
131.07031	1.2
131.08540	2.5
133.08583	49.4
133.10045	5.3
134.10451	1.9
135.08046	1.5
135.10156	0.9
135.11632	4.3
136.11916	0.9
143.08495	1.5
145.10150	4.0
146.10461	1.6
147.11652	3.3
149.13243	2.2
156.09213	1.0
157.10100	1.5
157.15874	6.2
159.11652	3.1
160.12067	1.3
161.09521	1.1
161.13203	3.3
162.13585	1.5
163.11021	0.9
163.14799	1.1
171.11629	2.1
173.13223	2.4
174.13625	1.2
175.14787	2.9
176.15193	1.1
177.11197	22.4
179.14320	1.1
185.13171	1.0
187.14847	2.4
188.15073	2.2
189.16338	2.2
190.16714	0.9
191.17877	1.5
198.18500	2.7
199.14786	0.8
200.15007	1.5
201.16513	1.3
201.18456	17.4
202.16754	1.4
203.17964	1.6
217.12285	1.1
221.13773	3.9
239.14793	3.4
245.21051	10.9
283.17505	2.6
309.18973	0.8
327.20178	12.3
351.27301	1.9
392.30148	1.1
395.29910	1.8
410.30975	1.2
438.34787	4.9
439.32547	34.7
456.36398	9.4
457.32651	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.01615	1.1
55.01867	9.1
55.05495	2.7
57.03430	13.8
59.05000	1.6
59.97774	0.7
61.02918	10.6
61.28852	0.8
67.05498	4.2
68.05835	0.9
69.03423	25.6
69.07061	1.9
69.87904	1.4
69.88315	3.5
71.01348	2.6
71.04984	3.0
73.02908	28.6
79.05488	2.8
81.03415	5.7
81.07049	4.9
82.07381	1.0
83.04945	1.0
83.08597	1.6
84.04490	1.4
85.02895	100.0
85.06547	1.6
87.04450	3.9
91.03941	5.4
91.05476	2.7
92.05798	1.1
93.07044	3.7
95.04953	0.9
95.08599	5.2
96.08942	1.2
97.02879	34.0
99.04446	4.8
103.03915	2.2
105.07027	3.1
106.07334	1.0
107.08576	5.0
108.08864	0.9
109.02874	7.9
109.10145	4.5
110.10471	0.9
111.08073	1.3
115.03912	15.4
115.42649	0.9
117.07039	0.8
119.04926	0.8
119.08571	3.6
120.08926	1.8
121.06409	1.1
121.10140	2.2
127.03897	32.6
128.27747	0.9
131.08575	2.1
132.06544	2.4
133.04950	20.6
133.10126	2.2
134.10504	1.3
135.11714	1.8
145.04938	57.4
145.10117	2.7
146.10530	0.9
147.04405	2.6
147.11671	2.0
149.09602	1.0
149.13257	1.5
150.07600	3.3
153.09044	1.0
157.10074	1.0
158.10544	1.1
159.11670	2.2
160.12030	2.0
163.05998	24.0
163.07382	1.7
163.14867	0.8
164.96733	0.8
165.09016	1.6
175.14821	1.0
185.13240	1.4
187.14865	1.1
188.15237	1.2
199.14809	0.8
204.08774	1.2
216.18375	1.1
223.06001	2.0
241.07063	3.4
259.08127	3.4
277.09174	1.3
307.21078	1.4
331.63916	0.8
392.25482	0.8
410.31003	1.5
438.30545	1.3
456.26428	1.5
456.32077	2.7
457.25729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55563	0.5
53.03942	0.6
55.01853	1.4
55.05492	1.7
57.03428	8.2
59.04982	1.7
61.02909	1.9
62.86292	0.5
67.05481	0.7
69.03414	5.3
69.07034	0.7
70.06591	2.2
70.21106	1.2
70.21503	1.1
71.01344	0.7
71.04987	2.3
71.08338	0.4
71.08630	3.9
73.02916	3.6
79.05469	2.0
81.03398	2.4
81.07047	14.1
83.04956	0.9
85.02895	18.7
85.06520	2.3
86.09679	0.6
87.04416	0.6
91.03923	0.6
92.28601	0.5
95.08520	0.6
97.02879	6.1
97.06544	0.8
99.04443	2.9
99.08076	6.4
101.02380	0.6
101.06002	0.8
107.04904	0.5
109.02888	2.6
109.06502	19.7
111.04456	0.4
112.07608	1.1
113.05971	3.7
114.06333	1.5
115.03902	1.1
117.05493	2.3
124.07570	1.4
125.02361	0.6
127.03918	5.7
127.07540	27.2
129.05452	1.4
131.07025	9.2
133.04964	1.0
137.05937	0.8
139.07469	0.7
139.22824	0.4
140.07042	1.0
142.08585	1.2
145.04945	6.9
145.08580	100.0
146.08894	1.3
150.07663	0.8
153.01833	2.9
159.06516	0.8
163.06007	1.8
163.09566	0.6
167.06915	0.5
177.07628	1.0
212.84801	0.5
280.16397	0.4
290.11139	0.5
307.13831	6.6
440.32800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55563	0.5
53.03942	0.6
55.01853	1.4
55.05492	1.7
57.03428	8.2
59.04982	1.7
61.02909	1.9
62.86292	0.5
67.05481	0.7
69.03414	5.3
69.07034	0.7
70.06591	2.2
70.21106	1.2
70.21503	1.1
71.01344	0.7
71.04987	2.3
71.08338	0.4
71.08630	3.9
73.02916	3.6
79.05469	2.0
81.03398	2.4
81.07047	14.1
83.04956	0.9
85.02895	18.7
85.06520	2.3
86.09679	0.6
87.04416	0.6
91.03923	0.6
92.28601	0.5
95.08520	0.6
97.02879	6.1
97.06544	0.8
99.04443	2.9
99.08076	6.4
101.02380	0.6
101.06002	0.8
107.04904	0.5
109.02888	2.6
109.06502	19.7
111.04456	0.4
112.07608	1.1
113.05971	3.7
114.06333	1.5
115.03902	1.1
117.05493	2.3
124.07570	1.4
125.02361	0.6
127.03918	5.7
127.07540	27.2
129.05452	1.4
131.07025	9.2
133.04964	1.0
137.05937	0.8
139.07469	0.7
139.22824	0.4
140.07042	1.0
142.08585	1.2
145.04945	6.9
145.08580	100.0
146.08894	1.3
150.07663	0.8
153.01833	2.9
159.06516	0.8
163.06007	1.8
163.09566	0.6
167.06915	0.5
177.07628	1.0
212.84801	0.5
280.16397	0.4
290.11139	0.5
307.13831	6.6
440.32800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	4.7
55.05495	52.2
57.07063	14.1
67.05497	34.3
69.03398	5.7
69.07064	58.3
69.53748	29.0
69.54155	10.8
71.04963	6.8
79.05467	22.6
81.07051	76.2
83.05000	5.8
83.08601	34.7
83.38842	5.2
89.51190	4.5
91.05454	18.4
93.07036	58.7
95.04966	8.4
95.08601	100.0
97.10167	25.5
105.07018	47.9
107.08576	84.2
109.10138	79.7
111.08050	6.3
111.11729	9.2
119.08566	55.8
121.06499	13.8
121.10135	63.8
123.08035	13.4
123.11697	49.8
124.11969	6.0
125.13241	5.5
130.73982	4.9
131.08554	18.7
133.10121	54.3
135.08031	14.7
135.11664	35.2
137.09653	8.7
137.13229	18.8
143.08527	9.7
144.09230	5.3
145.10155	35.1
147.11708	38.6
149.09605	12.0
149.13235	40.1
152.93875	5.6
156.09273	7.0
157.10138	11.0
159.11707	30.7
161.13226	28.2
163.14828	31.0
169.10109	8.0
171.11617	9.3
173.13226	31.1
175.11243	7.2
175.14864	33.3
177.16301	15.0
183.11673	9.4
185.13313	11.6
187.14809	27.8
189.16342	25.7
191.14294	11.3
191.17998	12.2
197.13077	7.3
199.14842	10.8
201.16356	15.8
203.14447	6.1
203.17972	11.9
205.15817	12.3
213.16391	14.1
215.17902	9.2
217.15936	9.7
217.19487	18.1
219.21091	6.5
225.16467	8.7
229.19530	11.9
233.22682	8.1
253.19481	7.1
257.22672	5.6
295.24243	8.5
331.26270	12.4
395.32977	11.1
419.36618	30.7
437.33145	62.5
455.38626	88.0
456.38736	9.6
456.44302	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	455.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	22.0
57.07066	8.6
65.03912	4.4
65.66854	3.4
67.05500	30.9
69.07051	32.8
70.81188	9.6
71.08615	3.5
72.04504	7.5
73.25501	3.1
79.05479	23.4
81.07047	64.8
83.08596	11.1
85.06494	4.2
88.02217	7.5
88.93578	3.4
91.05466	20.6
93.07027	46.9
95.04934	6.0
95.08590	100.0
97.10139	9.8
99.08059	4.3
99.66054	3.4
100.11240	5.3
103.60941	3.4
105.07018	48.5
107.08585	59.1
109.09446	5.4
109.10143	63.0
111.08057	6.3
117.07010	7.1
119.08558	90.4
121.10130	54.1
123.08068	3.7
123.11694	19.3
131.08537	19.9
133.10106	58.1
134.10435	4.4
135.08049	4.3
135.11649	33.9
137.09608	6.8
137.13246	9.3
143.08516	5.2
145.10103	31.0
147.11670	47.5
149.09601	5.0
149.13246	24.0
151.14703	4.1
152.94939	3.3
155.91528	4.4
157.10121	4.7
159.11682	39.9
161.09692	4.5
161.13226	28.5
163.11214	4.8
163.14792	14.9
171.11690	8.6
173.02097	7.2
173.13187	19.9
175.11192	4.3
175.14795	14.4
177.16368	10.6
179.14359	5.2
183.11688	5.3
185.13269	11.3
187.14775	24.2
189.16359	44.9
191.14308	5.2
191.17952	11.4
199.14839	10.9
200.20059	4.5
201.16370	24.5
203.14212	4.2
203.17944	16.4
205.15857	9.1
207.17413	9.0
209.15659	4.2
213.16370	5.5
215.18018	17.3
217.15823	6.4
217.19482	7.2
219.17441	9.6
227.17911	5.9
229.19496	5.3
233.19130	4.7
241.15474	4.4
267.21204	7.9
281.22400	4.4
324.25110	3.7
365.67084	4.0
405.34991	13.0
409.34686	8.1
423.36063	5.3
437.33957	33.9
438.33630	4.7
455.29861	9.3
455.35196	41.6
456.29712	4.4
456.43900	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	455.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06824	2.1
53.03917	3.7
55.05496	23.6
57.07069	16.2
57.89697	2.0
67.05498	25.7
69.07059	52.7
70.06579	2.7
71.04966	3.7
71.08616	12.9
79.05475	21.7
81.07046	62.2
83.04977	4.2
83.08604	32.3
85.06517	4.9
85.10161	4.4
88.07617	2.9
91.05452	14.1
93.07030	49.2
95.04967	5.6
95.08592	89.2
96.08925	3.5
97.06502	9.2
97.10146	13.8
97.40258	1.9
99.08080	2.4
100.11264	2.6
102.27662	2.4
105.07013	26.0
107.08574	76.4
108.08895	3.1
109.06503	6.9
109.09448	3.7
109.10137	56.6
111.08065	8.4
111.11676	5.8
117.06964	5.8
119.08563	36.6
121.06495	6.3
121.10126	100.0
122.10446	3.2
123.08028	6.7
123.11686	42.5
125.09618	4.8
127.11163	4.2
129.06903	2.5
131.08562	18.7
133.06488	2.5
133.10110	32.4
135.08043	9.5
135.11674	33.8
136.12036	2.3
137.09612	5.0
137.13254	15.4
143.08533	8.2
145.10097	24.4
147.08025	12.9
147.11697	22.4
149.09563	7.2
149.13260	23.2
151.11153	2.2
151.14818	4.3
155.08456	2.1
157.10094	10.8
159.11693	20.2
161.09601	5.7
161.13240	19.6
163.11177	8.2
163.14792	30.6
169.10083	2.9
171.11627	12.7
173.13245	22.5
175.11165	3.7
175.14804	13.1
177.12675	4.2
177.16351	28.4
178.16824	2.4
183.11700	4.1
185.13231	12.5
187.11116	2.4
187.14771	12.9
189.12706	18.4
189.16405	15.2
191.14261	3.3
191.17928	13.7
193.15950	2.2
193.19527	4.2
197.13162	2.6
199.14821	9.8
200.20013	7.4
201.16379	11.3
203.14293	5.4
203.17958	8.4
205.15895	3.1
205.19547	4.1
208.31427	2.2
211.14810	3.5
213.16289	6.4
215.14349	3.7
215.17899	10.2
217.15837	56.6
217.19307	2.5
219.17455	5.7
225.16338	3.4
227.17860	6.0
229.19609	3.0
231.17322	5.4
231.21141	2.7
233.19022	3.3
235.16888	70.7
236.17230	4.4
239.17867	2.8
241.19431	3.2
245.22665	3.6
247.17049	2.4
247.24158	71.5
248.24481	2.5
249.18378	4.6
253.19574	2.6
257.18771	2.1
257.22684	2.7
259.20441	2.9
271.20490	4.6
277.21600	9.4
283.26349	6.1
295.24005	2.4
313.25272	3.5
315.23502	2.4
329.24551	3.5
331.26331	15.0
340.28055	2.2
345.27945	2.9
357.28021	5.6
359.29382	3.9
371.29431	4.7
385.30771	5.0
409.34335	6.5
419.36990	5.3
427.31714	2.9
437.33109	25.5
437.38400	9.2
455.34094	24.8
455.38693	73.4
456.38977	2.4
456.44278	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	455.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	29.6
57.07071	21.0
67.05493	26.5
69.03417	3.3
69.07056	49.2
70.06566	1.9
70.07389	2.2
71.04977	2.9
71.08621	9.7
79.05482	18.5
81.07045	54.5
83.08600	28.2
85.06546	2.3
85.10166	2.9
88.07628	3.2
91.05470	14.9
93.07032	51.3
95.04934	6.1
95.08594	93.6
96.08898	3.0
97.06504	9.4
97.10174	13.2
99.04467	1.9
99.08086	4.3
105.07014	28.1
107.08579	76.3
108.08926	2.4
109.06502	7.5
109.10143	65.7
111.08075	5.9
111.11727	2.7
113.09588	2.5
117.06971	4.3
119.08568	36.1
119.89870	1.9
121.06480	8.3
121.10126	100.0
122.10466	2.8
123.08047	7.7
123.11691	32.2
124.84072	2.4
125.09587	3.3
125.13268	3.1
127.11221	3.0
129.06958	4.7
131.08553	15.6
133.10121	33.3
135.08054	6.8
135.11671	35.8
137.09579	6.0
137.13255	15.0
142.07707	2.3
143.08508	8.9
145.10092	21.0
147.08017	10.7
147.11656	21.8
149.09575	7.4
149.13234	25.9
151.11113	2.2
151.14772	6.0
156.09331	4.1
157.10117	13.2
159.11685	16.6
161.09587	6.2
161.13223	24.8
163.11108	5.5
163.14804	32.0
165.16309	2.5
169.10143	2.1
171.11681	11.1
173.13235	22.4
175.11186	6.1
175.14793	15.0
177.12759	2.1
177.16362	25.1
179.17984	2.4
183.11758	4.9
185.13232	10.7
187.11147	3.1
187.14836	15.2
189.12706	9.9
189.16376	12.0
191.14299	3.5
191.17928	10.7
193.19519	6.0
199.14781	9.4
200.19991	6.2
201.16414	12.1
203.14354	5.7
203.17957	6.4
205.15833	2.8
205.19469	3.8
213.16330	4.8
215.14308	3.1
215.17911	6.9
217.15846	58.3
217.19159	3.1
219.17435	5.6
227.17990	3.6
229.19427	2.9
231.17392	3.5
235.16898	80.4
235.19250	4.0
236.17213	2.7
241.19402	2.6
243.17415	2.3
243.21109	2.8
245.22569	6.3
247.24191	81.1
248.24614	5.7
249.18425	3.2
257.22614	3.0
259.20624	2.7
263.20032	4.9
271.20493	3.3
277.21579	8.6
283.26291	6.6
284.44797	2.6
293.22925	3.2
295.24240	3.2
313.25107	3.2
329.24634	6.8
331.26395	17.0
341.28287	2.6
353.28226	3.1
357.27817	6.6
359.29440	4.7
371.29425	8.0
385.30777	4.8
398.92209	2.6
409.34531	5.7
419.37097	3.8
437.33157	17.4
437.38336	8.6
438.34116	3.8
455.33798	15.1
455.38638	87.9
456.34256	3.8
456.38934	7.3
456.44482	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	455.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.9
55.05502	31.2
57.07061	13.3
59.04971	3.1
60.86345	2.5
62.21698	2.1
67.05495	27.0
69.03413	6.9
69.07056	47.9
70.04559	12.8
71.04974	3.0
71.08629	5.5
73.25769	2.4
79.05485	20.3
81.07044	72.8
83.04964	2.6
83.08606	25.8
85.06516	2.8
87.91079	2.1
88.07589	2.7
91.05476	17.3
93.07033	63.6
95.04958	2.2
95.08593	93.4
97.06512	5.5
97.10157	7.8
98.20852	2.4
99.08121	4.0
105.07016	37.3
107.08579	100.0
109.06494	3.3
109.10139	57.2
111.08067	4.7
111.11672	4.8
113.09627	6.2
117.06990	5.0
119.08562	66.6
120.75146	2.4
121.06483	2.5
121.10123	74.3
123.08042	4.4
123.11697	37.7
125.09612	8.9
127.11227	3.3
131.08549	18.3
133.10114	43.1
135.08037	7.7
135.11661	31.9
137.09621	2.8
137.13229	13.9
139.11180	15.6
141.12721	2.8
143.08545	5.1
145.10104	27.2
147.11662	44.1
149.09630	3.2
149.13235	47.9
151.14760	3.8
156.09351	2.6
157.10086	11.5
158.10851	3.7
159.11658	30.9
161.09663	4.4
161.13226	30.5
163.11153	2.8
163.14799	87.4
164.15216	3.1
165.12756	2.3
170.10825	2.4
171.11650	10.6
173.13211	17.5
175.11072	4.1
175.14838	17.9
177.12732	3.5
177.16342	11.7
179.14246	4.5
183.11729	4.4
185.13232	9.3
186.14012	2.6
187.14798	23.5
189.12706	2.7
189.16360	40.6
191.14211	4.7
191.17920	13.6
193.15866	2.4
197.13176	4.2
199.14795	10.0
201.16348	32.5
203.14240	3.6
203.17935	28.8
204.18217	2.8
205.15845	8.3
205.19415	3.2
207.17390	7.1
211.14839	4.4
211.25803	2.1
213.16362	13.9
215.17902	13.5
217.15846	16.5
217.19434	11.4
219.17380	5.0
227.17926	10.9
229.19429	7.6
231.20995	3.7
233.19006	4.6
235.16876	20.7
241.19452	5.9
245.18884	3.3
247.20557	9.4
247.24199	14.9
249.18484	4.1
253.19412	3.6
255.21053	4.9
257.22525	4.2
267.20840	2.9
269.22675	9.5
271.24005	2.6
287.23709	5.7
289.25125	2.7
295.24033	3.6
301.25494	2.6
305.24890	5.1
311.23495	2.7
313.25449	2.6
329.24661	3.4
331.26245	5.0
341.28302	3.2
371.29672	2.8
409.34363	6.3
419.37033	17.8
421.99509	2.5
437.32965	8.9
437.38657	30.8
455.34055	13.6
455.38684	41.6
456.44443	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	455.3875
Annotation	Laxifolone A
Peak:m/z	Relative Intensity
50.86674	0.4
53.03939	0.5
55.05261	0.6
55.05502	9.5
57.07073	3.2
61.23384	0.4
65.03925	0.5
67.05490	7.3
69.03437	0.6
69.07059	12.3
69.36402	4.8
71.08608	2.0
79.05466	3.6
81.07043	14.2
83.04961	1.9
83.08602	7.4
91.05470	2.4
93.07026	11.6
95.04948	0.7
95.08591	20.4
96.46456	0.5
97.10149	8.3
105.07016	4.1
107.07847	1.0
107.08572	18.6
109.06497	0.9
109.10139	17.2
110.10533	0.6
111.08055	0.6
111.11658	1.5
119.08578	4.4
121.06471	1.3
121.10121	11.6
123.08067	1.5
123.11684	9.1
125.09627	0.6
131.08533	1.5
133.06491	0.9
133.10117	3.9
135.08035	3.1
135.11668	9.7
137.09564	2.0
137.13228	2.0
143.08499	0.7
145.10045	2.2
147.08054	1.3
147.11665	3.3
149.09601	1.5
149.13235	11.3
151.14771	1.0
153.12755	0.6
157.10104	0.9
159.11656	2.1
161.09590	2.8
161.13191	2.2
163.11162	7.2
163.14796	5.8
165.12805	0.8
171.11705	1.0
171.75163	0.5
173.13217	1.4
175.11169	3.2
175.14830	1.8
177.12740	2.2
177.16327	2.1
185.13240	1.4
187.14784	2.3
189.12712	9.1
189.16357	1.7
191.14359	1.1
191.18007	0.6
193.15994	0.5
194.64355	0.5
199.14868	0.9
201.12788	0.5
201.16304	0.5
203.14255	4.2
203.17879	0.8
205.15823	7.5
205.19489	0.5
207.13765	1.2
213.16388	0.8
215.14326	2.2
215.17854	0.7
217.15811	2.6
217.19420	0.5
218.20380	0.5
219.21065	1.1
225.16260	0.5
227.17809	0.5
229.15898	0.9
231.17366	1.4
233.19014	1.5
233.22639	2.1
249.18437	1.5
275.27267	0.5
311.23734	2.3
313.25159	0.7
329.24677	1.3
331.26288	0.9
341.28445	0.9
355.30246	0.5
359.29462	1.7
385.31088	1.4
419.36557	0.6
437.37781	5.9
455.38773	100.0
456.39035	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	455.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.05256	2.4
55.05500	33.9
57.07061	12.2
65.03923	1.8
67.05494	42.8
67.05865	2.0
69.03399	1.5
69.07057	45.9
71.08617	8.2
76.90823	1.1
79.05478	27.5
81.07043	100.0
83.04967	23.8
83.08600	33.2
85.06516	2.4
85.10146	1.3
88.99086	1.2
91.05465	17.7
93.07025	65.3
95.04942	4.9
95.08588	93.1
97.06525	2.7
97.10150	17.4
99.08063	4.0
105.07010	29.3
107.04962	2.0
107.08575	89.8
109.06502	7.5
109.10135	66.1
111.08042	2.3
111.11720	3.7
117.06990	3.2
119.05988	1.5
119.08562	35.7
121.06468	9.4
121.10123	54.6
122.10483	2.1
123.08046	5.9
123.11684	42.1
125.13274	1.8
129.07051	1.4
131.08560	10.5
133.06442	1.4
133.10110	23.5
135.08044	18.1
135.11662	33.7
137.09546	3.1
137.13234	13.8
142.07744	2.2
143.08505	4.0
144.09296	1.7
145.10094	15.1
147.08002	3.6
147.11670	18.2
149.09608	3.1
149.13231	49.4
151.14728	3.1
155.08585	1.4
157.10133	4.5
159.11665	11.0
161.09631	6.7
161.13232	14.3
163.11104	3.6
163.14793	54.0
164.15269	1.9
168.59901	1.4
169.10126	2.2
171.11696	4.1
173.13229	9.5
175.11163	3.5
175.14822	7.7
177.12738	4.8
177.16353	15.3
185.13237	3.1
187.14804	8.8
189.12700	2.4
189.16356	7.1
191.17851	3.7
197.13138	1.7
199.14711	2.0
201.16315	6.2
203.14281	6.3
203.17981	6.6
205.15860	6.2
205.19595	2.6
211.14787	1.8
213.16339	4.2
215.14290	1.6
215.17924	4.7
217.15813	16.2
217.19440	2.2
219.17339	4.0
219.21021	5.4
229.15884	2.1
229.19368	1.8
231.17397	2.7
231.21104	2.9
233.22522	7.9
241.19537	1.4
245.35516	1.4
253.19472	1.7
255.21181	1.6
263.47989	1.6
295.24185	2.2
311.23657	1.4
313.25314	3.2
341.28253	3.7
409.34537	3.2
419.36801	2.5
437.32645	7.3
437.37958	7.9
455.39502	38.4
456.39011	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	455.3877
Annotation	Suberosol
Peak:m/z	Relative Intensity
50.63767	2.0
53.03918	2.4
53.51269	1.9
55.05495	22.7
57.07067	13.3
61.45237	1.9
67.05492	27.2
69.06724	2.5
69.07059	37.8
69.59074	12.8
71.04958	2.9
71.08601	7.8
78.93658	1.8
79.05485	15.1
81.07042	59.4
83.04948	4.6
83.08604	23.9
84.23541	1.8
85.51971	2.0
85.59829	2.2
87.94460	2.0
88.04772	1.8
91.05468	13.1
93.07023	42.7
95.04926	2.6
95.08594	82.8
97.06512	2.9
97.10153	13.2
102.57177	2.3
105.07008	29.9
107.08574	66.4
109.06488	5.0
109.10139	64.9
111.08038	3.9
111.11692	8.1
119.08560	52.1
121.09296	4.1
121.10122	56.2
123.08035	6.3
123.11681	37.1
125.09689	2.5
125.13239	4.5
125.26512	1.8
127.11195	2.1
131.08527	15.0
133.10109	43.1
135.08020	8.6
135.11667	32.3
137.09576	3.5
137.13248	17.3
139.42885	2.3
143.08485	3.0
145.10109	22.5
147.11650	32.7
149.09657	2.4
149.13217	32.3
150.13518	2.6
151.11082	4.0
151.14781	5.8
153.12668	2.1
157.10098	8.4
159.11676	21.2
161.09604	3.4
161.13242	33.2
163.11102	5.0
163.14786	30.1
165.12793	2.1
165.16418	2.2
169.10158	3.2
171.11629	9.7
173.13237	23.0
175.11143	3.2
175.14792	39.8
177.12717	7.8
177.16338	24.4
179.14325	4.3
179.17958	2.5
183.11684	5.4
185.13243	10.5
187.14767	24.2
189.12773	3.4
189.16327	23.6
191.14281	6.3
191.17908	9.7
193.15866	9.8
197.13182	5.0
199.14827	7.7
201.16316	10.8
203.14319	10.2
203.17903	14.0
205.15895	13.1
205.19521	12.4
207.17487	3.0
211.14778	6.0
213.16306	6.9
215.17978	9.7
217.15831	8.3
217.19492	10.0
219.17390	7.0
219.21077	6.9
221.15352	6.8
223.16878	2.5
225.16301	4.4
227.17856	5.9
229.15768	2.8
229.19464	4.9
231.17369	7.4
231.21019	8.9
233.15564	2.3
233.18991	2.9
233.22620	9.1
239.17941	3.5
241.19507	4.2
243.21132	2.2
245.18993	4.7
245.22575	2.2
249.18439	2.8
253.19388	2.3
257.22308	2.8
259.20544	3.3
259.24225	3.0
261.25543	2.4
269.22656	2.8
273.21863	3.4
281.22510	2.9
295.24152	4.5
299.23627	6.1
307.24350	2.3
311.23682	2.3
313.25043	11.0
317.24719	3.3
329.24603	2.8
331.26053	3.5
347.41348	2.3
353.28275	3.5
371.29303	3.2
385.31155	3.2
391.33746	2.3
409.33987	4.6
409.38766	3.9
419.36713	16.6
437.38232	51.0
455.39236	100.0
456.38934	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	455.3512
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
54.54138	0.3
55.05494	1.3
57.07063	0.6
67.05493	2.4
69.07063	3.3
69.63631	2.3
71.04965	0.6
78.28696	0.3
79.05463	0.8
80.00156	0.3
81.07045	4.0
83.08616	1.4
89.01566	0.3
91.05457	1.3
93.07026	3.5
95.08586	8.0
97.10148	1.2
98.21037	1.0
99.04431	0.5
99.08078	0.3
105.07008	3.1
107.08584	5.0
109.06490	1.5
109.10141	5.3
111.11668	0.6
117.07021	0.7
119.08564	5.6
121.06474	0.4
121.10114	4.8
123.08035	1.0
123.11690	2.5
125.09573	0.4
131.08566	1.7
133.10115	5.5
135.08023	1.3
135.11668	3.5
137.09579	0.4
137.13237	1.5
143.08534	1.1
145.10124	3.6
147.08031	0.5
147.11655	2.4
147.63872	0.3
149.09558	0.7
149.13226	1.7
157.10120	1.6
158.10896	0.5
159.11665	3.1
161.09586	1.1
161.13246	1.8
163.11127	0.9
163.14799	1.1
169.10167	0.4
171.11670	1.1
173.11748	0.5
173.13239	8.2
175.11110	0.8
175.14737	1.9
177.16356	1.3
185.09547	0.6
185.13251	1.0
187.11188	0.6
187.14799	2.2
189.12680	0.8
189.16411	2.2
191.14343	0.5
191.17873	2.2
195.11618	0.3
197.13229	0.7
199.14781	1.1
201.12706	0.4
201.16371	1.6
203.14345	0.4
203.17964	1.1
205.15843	1.0
205.19456	0.8
207.17462	0.5
209.13135	0.4
211.14821	0.8
213.12749	0.9
213.16344	0.9
215.14293	1.1
215.17975	0.9
217.15889	0.4
217.19243	0.3
219.17422	0.7
227.14278	0.8
227.17924	0.4
229.19640	0.6
231.13853	0.4
231.17473	0.6
233.15347	2.6
233.18982	0.4
235.16933	0.3
239.17842	0.5
241.19350	0.3
247.20358	0.3
253.19438	0.4
257.22632	0.5
259.20535	0.4
263.17761	0.3
267.21207	0.4
281.18878	0.5
299.20074	0.6
341.28363	0.5
369.31378	0.5
391.33423	0.6
401.31921	0.7
409.34653	2.1
419.33026	2.1
432.70898	0.4
437.34055	14.7
438.34378	0.8
455.35092	100.0
456.35416	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3511
Annotation	Lamesticumin C
Peak:m/z	Relative Intensity
51.02375	1.6
52.33911	1.5
55.05507	11.9
57.07063	4.3
67.05498	16.2
69.07059	21.3
69.35542	15.6
71.04987	1.8
79.05479	12.7
81.07046	29.8
83.04951	2.4
83.08607	24.7
85.06528	1.9
91.05467	11.6
93.07029	32.5
95.04942	2.5
95.08592	70.1
97.10155	5.6
99.08114	1.6
105.07014	32.5
105.07665	2.6
107.07852	3.6
107.08576	56.6
109.10141	35.9
111.08053	3.5
117.06998	5.1
119.08565	60.6
121.10126	48.9
121.11020	2.4
123.08087	2.8
123.11690	15.5
125.09640	2.4
131.08548	12.5
133.10109	45.6
135.08023	1.8
135.11664	25.5
137.09567	2.9
137.13254	6.4
141.14020	1.5
143.08632	2.5
145.10088	23.4
147.11662	40.1
147.12776	3.0
149.09628	2.0
149.13225	22.5
153.09128	8.1
157.10129	5.0
159.11659	22.6
161.13243	24.5
163.11148	1.6
163.14793	34.1
165.12730	6.3
167.10733	1.8
169.10034	1.8
171.11667	2.8
173.13231	11.4
175.14806	36.2
177.16351	38.4
177.17799	2.9
178.16757	1.7
179.14310	2.4
185.13239	3.8
187.14787	21.1
189.16356	100.0
190.16602	2.2
191.17952	13.2
193.15877	2.8
199.14816	3.2
201.16356	29.6
203.17920	73.1
204.18231	1.8
205.15865	17.3
205.19508	2.9
207.17424	13.5
213.16379	6.7
215.17918	13.3
217.15924	3.8
217.19577	6.4
219.17307	8.7
221.15407	2.5
221.18971	1.7
225.16356	1.8
227.18127	1.9
229.19476	4.3
231.17390	3.1
231.21088	2.6
233.15405	3.1
233.18997	3.3
235.16899	12.5
239.18126	1.7
241.19397	3.1
247.16956	6.3
249.18472	14.4
255.21121	2.2
259.16910	3.0
261.18320	2.8
267.20987	2.6
269.22571	2.2
287.19949	1.9
309.25806	3.6
313.21851	1.5
329.24854	2.7
355.26166	3.8
365.31876	2.6
381.34869	1.6
383.29440	2.4
391.33578	17.4
396.46756	1.5
409.34625	46.4
410.34637	2.8
411.32416	25.1
425.34125	1.9
437.34158	37.6
455.35168	66.9
456.35818	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3511
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
55.05507	3.4
57.07050	1.3
59.04986	0.7
67.05488	4.5
69.03405	1.5
69.07061	7.4
69.80434	0.4
70.64585	0.4
70.78839	1.0
70.79208	1.0
71.04989	0.5
71.85677	0.4
74.21746	0.4
79.05492	2.6
81.07037	9.6
83.04964	1.4
83.08603	2.3
91.05463	2.5
93.07031	5.7
95.04947	1.5
95.08591	18.4
97.06521	2.5
97.10135	1.8
99.04488	0.5
101.06016	2.2
105.07029	4.2
107.04922	0.6
107.08573	9.7
107.60408	0.5
109.06493	2.4
109.10151	9.9
111.08057	0.9
111.11716	2.0
117.07037	0.9
119.07770	0.7
119.08560	8.1
121.06478	1.5
121.10120	8.8
123.08035	2.6
123.11697	4.5
125.09602	0.7
129.06900	0.4
131.08530	3.7
133.06473	0.6
133.10110	6.1
135.08034	10.9
135.11668	5.1
137.09578	1.3
137.12248	0.6
137.13219	3.9
137.65564	0.4
142.07726	0.5
143.08527	1.7
145.10104	6.2
147.08054	0.9
147.10599	0.6
147.11673	4.7
149.05923	0.5
149.09587	3.2
149.13225	2.0
151.11151	0.7
151.14775	0.8
155.08470	0.5
156.09305	0.6
157.10155	2.4
159.07925	0.4
159.11682	4.2
159.12886	0.7
161.09628	2.1
161.13202	2.6
163.11128	2.6
163.14830	0.8
169.10034	0.9
169.51466	0.4
171.11646	3.3
172.12186	0.5
173.09636	1.2
173.13255	2.9
173.70383	0.4
175.11226	2.7
175.14789	1.9
177.12683	0.8
177.16272	1.1
183.11671	1.5
185.09683	0.5
185.13181	2.3
187.11156	1.2
187.14838	4.0
189.12724	3.0
189.16324	3.3
191.10670	1.0
191.14262	1.1
191.17924	2.7
195.11755	0.7
196.12515	0.5
197.13257	1.9
199.11234	0.5
199.14745	1.5
201.12688	0.9
201.16376	1.4
203.10666	0.6
203.14262	1.4
203.17912	2.0
205.12221	0.5
205.15857	2.2
205.19415	1.1
209.13084	0.6
211.14816	1.3
213.12698	0.8
213.16335	1.5
215.14331	1.3
215.17915	1.4
217.12268	4.0
217.15826	1.0
217.19536	0.5
219.17355	0.6
223.14673	0.5
227.17883	1.1
229.12224	0.5
229.15883	0.8
229.19530	1.0
231.13789	0.6
231.17380	3.3
233.15372	2.7
233.18945	1.4
235.13277	1.3
237.16496	0.7
239.14363	0.8
239.17796	0.8
241.11995	0.5
241.15857	0.9
241.19527	0.9
243.13783	0.6
243.20993	0.7
245.19048	0.6
251.16400	0.5
253.19603	0.6
255.17418	0.9
255.21014	0.7
257.15250	0.6
259.16922	0.8
259.20514	0.7
267.20987	0.7
269.22403	0.6
271.20517	1.0
273.18518	1.0
273.22052	1.9
281.18961	1.8
281.22244	0.6
283.20425	0.6
285.18417	1.2
299.20029	5.5
303.20911	0.4
309.22314	0.5
309.25726	0.7
313.25113	1.0
323.23434	0.5
327.23044	1.0
327.26740	1.9
355.25903	0.6
373.27206	0.6
377.27908	0.5
381.27899	0.6
391.33456	0.8
394.28436	0.7
395.29382	0.9
401.32022	1.0
409.34534	2.6
419.33072	8.3
437.34091	100.0
438.34549	5.1
441.08890	0.5
455.35022	31.8
456.35559	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3513
Annotation	Lamesticumin C
Peak:m/z	Relative Intensity
53.03923	1.6
55.05503	19.2
57.07061	7.3
65.03935	1.5
67.05496	18.2
68.08868	1.1
69.03413	1.2
69.06709	2.0
69.07060	22.3
69.50675	2.2
69.51078	8.9
71.04982	2.0
71.08622	1.5
78.19460	1.1
79.05483	13.8
81.07050	39.3
83.04966	2.6
83.08606	29.8
83.09106	1.7
91.05465	14.5
91.46293	1.1
93.07037	34.0
95.04958	3.1
95.08592	84.2
97.06525	2.3
97.10151	6.4
98.20747	2.3
105.07020	40.2
107.08578	61.7
109.06528	3.0
109.10142	40.2
111.08074	3.3
111.11711	2.1
117.07018	4.4
119.08569	76.2
121.06435	1.4
121.10128	54.5
121.11015	2.6
123.08071	3.7
123.11691	17.4
125.09634	3.8
127.11208	2.1
129.06985	1.8
129.99913	1.0
131.08571	11.0
133.10117	54.4
135.08022	3.5
135.11676	34.2
137.09613	3.1
137.13225	10.1
139.07529	1.3
139.11153	2.2
142.54094	1.2
143.08569	4.8
145.10101	25.0
146.10571	1.1
147.08060	1.9
147.11664	39.8
148.11977	1.0
149.09634	2.6
149.13248	23.3
149.34761	1.0
151.11154	2.5
151.14766	2.2
153.09068	8.2
157.10107	8.7
159.11671	22.1
161.09668	1.8
161.13251	24.0
163.11157	4.1
163.14809	25.6
165.12770	4.4
165.16432	1.1
167.10703	2.5
169.10179	1.7
171.11597	5.1
173.09590	1.4
173.13243	14.4
174.13998	1.3
175.11217	1.5
175.14806	29.9
175.16251	2.0
177.16367	38.8
178.16756	1.4
179.10649	1.2
179.14322	2.1
183.11656	2.2
185.13255	7.0
187.14810	19.9
189.16360	100.0
190.16820	1.4
191.14343	1.4
191.17941	13.5
193.12201	1.8
195.11661	1.4
197.13266	3.4
199.14723	6.3
201.12651	1.4
201.16353	27.2
202.16719	1.4
203.16019	2.9
203.17935	58.2
204.18213	1.7
205.15848	9.5
205.19514	2.7
207.17410	15.9
209.13126	1.5
211.14835	1.6
213.16331	7.3
215.14374	3.1
215.17903	10.2
217.15970	2.2
217.19482	6.6
219.17393	5.4
221.15350	2.2
221.19073	1.9
223.16884	1.5
225.16307	1.4
227.17914	3.5
229.19467	5.5
231.17387	3.4
233.15379	4.6
233.18961	1.9
235.16922	10.7
239.17995	1.6
241.19550	4.9
243.17239	1.1
243.21082	3.1
245.19127	1.3
247.16969	4.4
249.18494	11.6
253.19608	1.7
255.21124	3.1
259.17007	4.0
261.18417	1.5
267.21136	3.0
273.18591	1.6
281.22699	2.1
283.24261	2.3
287.20001	2.9
295.24222	1.8
299.20197	1.6
309.25729	1.7
311.48343	1.2
321.25824	1.6
327.23224	1.8
329.24799	3.9
335.27267	1.9
355.26337	3.7
365.32144	2.4
369.27759	7.8
381.27768	1.3
383.29483	2.9
391.33459	11.8
409.34604	33.7
410.34671	1.1
411.32523	26.2
419.33142	4.2
427.35611	1.9
437.34122	41.3
455.35220	67.5
456.35455	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	455.3511
Annotation	Eucalyptanoic acid
Peak:m/z	Relative Intensity
50.00744	2.2
50.76350	2.0
53.03932	3.0
55.05507	14.8
57.07050	5.2
67.05492	20.2
69.07063	23.6
69.51273	17.4
69.51674	3.2
74.98280	2.1
79.05475	16.1
81.07046	47.2
83.08606	9.1
87.86805	2.6
91.05462	21.6
93.07030	41.7
95.08593	81.3
97.10158	4.6
98.20767	4.9
99.08055	21.0
105.07024	45.9
107.08574	74.7
109.06544	4.3
109.10135	46.6
111.08041	11.3
116.59424	2.7
117.07003	4.1
119.06071	2.4
119.08559	66.2
121.10127	69.3
122.52973	2.3
123.08055	4.2
123.11701	25.2
129.06970	2.8
130.07724	3.8
131.08545	35.4
133.10117	69.0
135.11667	47.3
137.13243	17.7
139.11189	3.0
143.08493	4.9
145.10114	40.8
147.11661	67.6
149.13239	41.5
157.10098	12.0
159.11665	35.8
160.12302	2.7
161.13235	28.1
163.11148	2.5
163.14783	15.5
164.14957	2.3
165.12775	6.4
171.11673	10.3
173.13203	23.5
175.14792	25.5
177.16365	29.6
179.14331	3.7
183.11713	4.1
185.13257	6.8
187.14796	40.1
189.16351	37.9
191.17923	100.0
192.18277	3.3
193.19446	2.9
199.14822	8.5
201.16356	85.8
201.18234	4.6
203.14494	2.1
203.17935	51.3
205.15883	18.2
205.19460	4.5
213.16399	10.3
215.14360	3.8
215.17949	8.8
217.19528	14.9
219.17383	20.7
227.17932	8.3
229.19604	2.7
231.17256	3.1
231.21060	4.5
241.19510	6.2
243.21130	3.6
247.16794	5.1
249.18474	6.2
253.19398	3.2
257.22647	3.7
259.16885	5.0
267.20789	3.5
269.22659	2.7
275.20163	2.9
286.82230	2.8
287.20071	3.8
289.61121	2.9
337.29059	3.2
391.33472	10.1
409.34543	59.6
419.33420	3.7
437.34088	41.9
455.35220	71.3
467.38965	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	455.3517
Annotation	Mudanpinoic acid A
Peak:m/z	Relative Intensity
53.03941	1.8
55.01863	0.8
55.05502	8.8
57.03429	0.8
57.07070	8.3
59.04491	0.7
59.05010	0.8
60.04201	0.6
61.22294	0.6
65.03922	1.2
67.05492	24.3
69.03426	2.2
69.07056	15.0
69.07400	1.2
71.04982	6.2
71.08623	1.7
79.05482	10.4
81.03439	1.2
81.07043	61.2
83.04981	2.4
83.08607	9.4
85.06532	1.6
89.05984	0.9
91.05455	9.6
91.05909	0.8
93.07023	17.3
95.04971	2.6
95.08590	82.1
97.06537	2.4
97.10138	5.7
98.21487	1.8
99.08061	1.5
103.05419	0.7
105.07013	18.6
107.08577	23.6
107.09271	1.3
109.06533	1.8
109.10136	39.0
110.10469	0.8
111.08121	1.6
111.11719	2.4
116.75060	0.8
117.07024	3.3
117.34826	0.7
117.69108	0.8
119.08560	25.3
121.06511	1.6
121.10123	17.4
123.08097	2.1
123.11694	27.5
124.12054	1.2
125.09645	3.0
125.13298	1.0
127.11163	4.1
128.06229	1.2
129.07042	3.3
131.08554	11.3
131.09358	1.0
133.10106	18.3
135.03316	0.7
135.08051	2.8
135.11661	13.6
137.09639	2.1
137.13235	39.7
138.13606	0.9
141.06989	0.9
142.07768	1.4
143.08539	7.5
144.09422	1.5
145.10107	16.8
147.03281	0.8
147.04411	1.2
147.08087	3.4
147.11665	13.6
147.12756	1.0
149.09628	2.0
149.13243	7.4
151.11194	1.3
151.14810	4.3
153.08981	0.8
155.08548	3.5
157.10101	9.5
158.10953	0.8
159.08035	1.3
159.11673	12.1
161.09630	3.6
161.13208	8.1
163.07582	1.1
163.11224	2.6
163.14781	4.4
165.12724	1.7
168.09378	1.0
169.10094	7.6
171.11691	11.5
173.09706	1.5
173.11801	1.3
173.13217	10.3
174.13693	0.8
175.11244	1.9
175.14815	6.2
177.09084	1.1
177.12773	1.8
177.16339	3.7
179.17914	6.8
181.10123	1.6
183.11624	4.5
185.09698	0.8
185.13220	10.3
187.11250	2.2
187.14798	12.1
189.12729	1.3
189.16344	17.1
190.16702	1.1
191.10655	1.6
191.14325	2.0
191.17955	3.7
193.19557	0.9
195.11700	1.4
196.12407	1.1
197.13214	8.1
199.11241	1.2
199.14781	8.2
201.12798	1.7
201.16348	9.6
203.14368	2.3
203.17918	6.3
203.19392	0.7
205.15974	1.8
205.19572	3.1
207.17470	2.3
209.13324	1.5
211.14807	8.1
213.12750	0.9
213.16306	8.0
215.14226	4.0
215.18056	2.7
217.12250	0.9
217.15936	2.9
217.19615	2.9
219.13876	1.8
219.17511	1.2
223.14851	1.5
225.16396	2.7
227.17998	1.7
229.12320	0.8
229.15916	4.6
229.19449	1.5
231.13918	1.5
231.17375	4.7
233.15343	4.2
239.17995	3.3
241.19456	5.3
243.13872	1.5
243.17555	1.0
245.15344	1.7
247.16995	1.4
249.18547	1.2
251.18005	1.1
253.19495	3.7
255.21092	2.2
257.15399	2.2
257.19180	1.3
259.17181	1.3
259.20627	2.6
267.21155	2.8
269.19095	1.0
271.20486	1.3
273.18558	0.9
275.16498	2.7
283.20566	1.6
285.18631	1.6
285.22150	1.5
287.20053	1.7
299.20221	1.8
301.21530	1.7
351.26746	1.1
369.27817	0.8
391.33582	5.9
409.34750	13.5
419.33316	2.9
437.34457	21.0
438.34848	1.6
455.35358	100.0
456.35974	5.1
479.92963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91893	1.4
53.03936	4.2
55.01854	6.0
55.05503	24.2
57.03436	7.2
57.07071	10.8
61.02909	4.0
65.03925	2.3
67.05496	40.1
69.03425	20.8
69.07062	47.9
71.01322	3.3
71.04995	7.1
71.08621	3.5
71.62464	2.3
73.02901	4.3
79.05479	25.2
81.03413	15.5
81.07046	100.0
82.07380	2.0
83.01324	1.8
83.04981	7.9
83.08610	22.5
84.04488	2.8
85.02897	44.7
85.06531	12.9
87.04458	2.0
91.05469	31.4
93.07036	41.7
95.04970	15.2
95.08595	94.2
96.08936	1.6
97.02892	14.9
97.06528	11.2
97.10165	15.4
99.04427	4.9
99.08089	4.7
101.02344	1.6
103.03918	4.9
105.07011	36.9
107.04934	2.8
107.08583	50.9
109.02884	8.1
109.06521	9.1
109.10145	60.0
111.04441	8.1
111.08089	14.4
111.11706	8.9
111.76017	1.4
113.09643	2.2
115.03900	5.3
115.05408	1.5
117.07038	9.3
119.04924	20.5
119.07786	2.1
119.08575	34.5
121.06478	9.7
121.10139	30.3
123.04446	2.6
123.08034	7.1
123.11694	35.0
125.06047	1.7
125.09633	6.9
125.13229	3.0
127.03886	16.1
127.90750	1.5
128.06204	1.9
129.05467	8.9
129.07025	2.7
131.08560	15.9
133.04962	6.0
133.06473	2.5
133.10118	23.1
135.08054	11.1
135.11676	23.4
137.05960	4.6
137.09602	7.9
137.13237	30.4
139.07484	2.1
139.11162	3.4
141.09044	2.7
142.07872	1.5
143.08537	6.0
144.09198	1.6
145.04958	6.7
145.06430	2.2
145.10103	24.3
146.10495	2.1
147.04396	73.5
147.08063	7.6
147.11670	20.9
148.04698	3.8
149.09624	8.2
149.13240	21.9
151.07510	4.1
151.11172	4.1
151.14760	6.9
153.09076	5.5
153.12718	1.9
155.08527	2.5
156.09352	1.8
157.10101	9.5
159.08054	3.4
159.11670	15.3
161.09572	7.8
161.13271	14.2
163.06094	2.2
163.11131	4.0
163.14795	14.9
165.09053	14.3
165.12727	3.6
165.16455	1.6
167.07137	2.1
167.10732	2.0
169.08667	2.7
169.10159	4.1
171.11682	7.2
173.09625	6.3
173.13228	13.5
175.11154	3.8
175.14819	11.9
177.12724	5.3
177.16367	8.3
179.06960	1.9
179.10648	1.7
179.14316	2.6
179.18007	2.5
183.10170	4.9
183.11731	2.7
185.13232	9.8
187.14812	13.0
189.09117	2.4
189.12759	8.4
189.16377	7.4
191.10735	3.8
191.14270	4.5
191.17838	4.0
193.12204	1.8
193.15868	2.9
195.11694	1.8
197.08086	2.3
197.13225	3.2
199.09634	2.0
199.11282	1.9
199.14803	6.9
201.12720	3.5
201.16365	6.9
203.14284	5.4
203.17940	5.4
205.12306	2.0
205.15820	5.3
205.19460	2.4
207.10023	2.4
209.11647	3.2
211.14738	4.3
213.16362	4.2
215.14308	3.6
215.17900	3.1
217.12273	2.7
217.15843	4.3
217.19452	1.9
219.17358	2.8
221.18965	1.9
229.15891	4.0
229.19472	2.6
231.20978	1.5
233.11526	1.6
245.19139	1.7
247.16837	1.7
247.20528	1.8
253.19545	2.1
259.17059	2.1
259.24313	1.9
275.20007	4.8
275.27325	2.7
285.25803	1.7
291.26700	3.9
293.20932	1.8
293.28333	5.8
303.26828	2.5
305.28409	3.2
311.84760	1.7
315.26688	2.7
317.28317	2.5
329.28418	2.8
347.29501	2.5
359.29361	3.5
365.28204	2.5
371.29221	2.4
379.29834	1.8
383.29471	4.3
391.29861	5.3
401.30624	9.5
409.30899	8.3
419.32169	8.8
437.31799	5.1
452.26468	1.8
455.20221	2.4
455.26114	3.4
455.31808	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	455.336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91893	1.4
53.03936	4.2
55.01854	6.0
55.05503	24.2
57.03436	7.2
57.07071	10.8
61.02909	4.0
65.03925	2.3
67.05496	40.1
69.03425	20.8
69.07062	47.9
71.01322	3.3
71.04995	7.1
71.08621	3.5
71.62464	2.3
73.02901	4.3
79.05479	25.2
81.03413	15.5
81.07046	100.0
82.07380	2.0
83.01324	1.8
83.04981	7.9
83.08610	22.5
84.04488	2.8
85.02897	44.7
85.06531	12.9
87.04458	2.0
91.05469	31.4
93.07036	41.7
95.04970	15.2
95.08595	94.2
96.08936	1.6
97.02892	14.9
97.06528	11.2
97.10165	15.4
99.04427	4.9
99.08089	4.7
101.02344	1.6
103.03918	4.9
105.07011	36.9
107.04934	2.8
107.08583	50.9
109.02884	8.1
109.06521	9.1
109.10145	60.0
111.04441	8.1
111.08089	14.4
111.11706	8.9
111.76017	1.4
113.09643	2.2
115.03900	5.3
115.05408	1.5
117.07038	9.3
119.04924	20.5
119.07786	2.1
119.08575	34.5
121.06478	9.7
121.10139	30.3
123.04446	2.6
123.08034	7.1
123.11694	35.0
125.06047	1.7
125.09633	6.9
125.13229	3.0
127.03886	16.1
127.90750	1.5
128.06204	1.9
129.05467	8.9
129.07025	2.7
131.08560	15.9
133.04962	6.0
133.06473	2.5
133.10118	23.1
135.08054	11.1
135.11676	23.4
137.05960	4.6
137.09602	7.9
137.13237	30.4
139.07484	2.1
139.11162	3.4
141.09044	2.7
142.07872	1.5
143.08537	6.0
144.09198	1.6
145.04958	6.7
145.06430	2.2
145.10103	24.3
146.10495	2.1
147.04396	73.5
147.08063	7.6
147.11670	20.9
148.04698	3.8
149.09624	8.2
149.13240	21.9
151.07510	4.1
151.11172	4.1
151.14760	6.9
153.09076	5.5
153.12718	1.9
155.08527	2.5
156.09352	1.8
157.10101	9.5
159.08054	3.4
159.11670	15.3
161.09572	7.8
161.13271	14.2
163.06094	2.2
163.11131	4.0
163.14795	14.9
165.09053	14.3
165.12727	3.6
165.16455	1.6
167.07137	2.1
167.10732	2.0
169.08667	2.7
169.10159	4.1
171.11682	7.2
173.09625	6.3
173.13228	13.5
175.11154	3.8
175.14819	11.9
177.12724	5.3
177.16367	8.3
179.06960	1.9
179.10648	1.7
179.14316	2.6
179.18007	2.5
183.10170	4.9
183.11731	2.7
185.13232	9.8
187.14812	13.0
189.09117	2.4
189.12759	8.4
189.16377	7.4
191.10735	3.8
191.14270	4.5
191.17838	4.0
193.12204	1.8
193.15868	2.9
195.11694	1.8
197.08086	2.3
197.13225	3.2
199.09634	2.0
199.11282	1.9
199.14803	6.9
201.12720	3.5
201.16365	6.9
203.14284	5.4
203.17940	5.4
205.12306	2.0
205.15820	5.3
205.19460	2.4
207.10023	2.4
209.11647	3.2
211.14738	4.3
213.16362	4.2
215.14308	3.6
215.17900	3.1
217.12273	2.7
217.15843	4.3
217.19452	1.9
219.17358	2.8
221.18965	1.9
229.15891	4.0
229.19472	2.6
231.20978	1.5
233.11526	1.6
245.19139	1.7
247.16837	1.7
247.20528	1.8
253.19545	2.1
259.17059	2.1
259.24313	1.9
275.20007	4.8
275.27325	2.7
285.25803	1.7
291.26700	3.9
293.20932	1.8
293.28333	5.8
303.26828	2.5
305.28409	3.2
311.84760	1.7
315.26688	2.7
317.28317	2.5
329.28418	2.8
347.29501	2.5
359.29361	3.5
365.28204	2.5
371.29221	2.4
379.29834	1.8
383.29471	4.3
391.29861	5.3
401.30624	9.5
409.30899	8.3
419.32169	8.8
437.31799	5.1
452.26468	1.8
455.20221	2.4
455.26114	3.4
455.31808	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	455.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31738	1.7
50.74231	1.4
53.03936	1.7
55.01843	3.6
55.05500	18.9
57.03415	5.0
57.07070	3.4
59.04989	1.8
65.03922	2.8
65.98055	1.3
67.05159	2.5
67.05494	32.0
69.03418	6.4
69.07058	25.0
70.77353	3.4
70.77689	1.5
71.04971	3.3
71.08611	1.4
71.74612	1.5
73.02898	3.7
79.05485	21.6
81.03405	6.5
81.07046	49.1
82.07375	2.7
83.04962	5.9
83.08603	11.3
84.04472	2.1
85.02895	7.1
85.06545	8.0
91.05462	24.9
93.07028	43.1
95.04926	7.0
95.08594	63.9
97.02874	4.3
97.06501	6.0
97.10159	6.8
99.04459	2.0
99.08083	3.3
103.05419	2.4
105.07018	59.8
107.04967	2.4
107.08578	68.7
109.02875	2.9
109.06490	11.2
109.10137	46.0
111.04428	3.4
111.08073	12.2
111.11726	1.9
113.06023	2.2
115.03980	2.1
115.05410	2.0
117.07005	9.5
119.04908	5.3
119.08561	100.0
121.06491	6.6
121.10122	52.9
123.04341	1.9
123.08026	7.5
123.11688	15.4
125.06003	4.4
125.09615	6.0
127.03889	5.4
127.07526	1.6
127.11221	2.7
128.06204	2.8
129.06995	5.8
129.94737	1.3
130.07745	3.9
131.08549	38.4
133.10109	43.9
135.08014	12.0
135.11670	24.8
137.05984	3.3
137.09598	7.3
137.13214	5.1
139.11119	3.3
141.06999	1.9
142.07756	6.8
143.08543	21.4
144.09384	3.5
145.10097	62.5
146.10419	1.4
147.04381	15.3
147.08040	4.6
147.11658	38.0
149.05936	2.2
149.09618	6.0
149.13232	16.8
151.07527	4.6
151.11153	2.7
151.14861	2.9
153.09148	2.6
155.08562	4.9
156.09341	4.0
157.10123	24.7
158.10840	5.1
159.08041	2.6
159.11667	43.3
160.12405	1.6
161.05855	1.5
161.09569	8.2
161.13237	35.0
163.07565	4.8
163.11179	5.6
163.14784	13.6
165.09132	5.6
165.12799	3.3
167.07063	1.8
168.09302	1.5
169.08675	2.9
169.10120	8.0
170.08398	2.5
170.10864	5.2
171.11667	23.3
172.12407	2.9
173.09624	3.5
173.11739	2.6
173.13225	36.5
175.07544	2.6
175.11247	4.6
175.14796	31.1
177.09061	2.1
177.12791	4.9
177.16402	11.0
179.10573	2.8
179.14243	8.8
181.08601	2.4
181.10078	3.0
181.12279	1.7
183.11671	10.9
184.12352	2.7
185.13222	29.2
187.11185	3.9
187.14789	51.6
188.15147	2.3
189.09132	2.3
189.12685	4.7
189.16357	16.7
191.10667	2.7
191.14311	11.3
191.18025	1.7
193.10199	2.6
193.12262	3.6
195.11725	3.6
197.13274	11.3
199.11198	1.7
199.14769	31.0
201.12770	2.6
201.16345	38.5
202.16698	2.1
203.10638	1.9
203.14279	8.4
203.17970	6.2
205.12224	5.2
205.15823	15.9
207.13782	2.5
209.13260	5.6
209.15300	2.6
211.14841	8.2
212.15562	1.7
213.12752	2.7
213.16350	28.0
215.14302	5.6
215.17911	4.3
217.12285	2.7
217.15855	8.5
219.13802	4.8
219.17456	4.2
221.13371	2.4
221.15477	4.0
223.14752	3.8
223.16830	3.4
225.16376	4.9
227.12585	1.9
227.17859	11.0
229.15948	3.6
229.19499	2.5
231.13814	3.4
231.17287	1.7
232.64587	1.5
233.15358	6.7
237.16411	2.6
239.14201	1.5
239.17947	7.1
241.19507	3.8
245.15408	10.5
245.18945	2.9
247.16954	4.5
249.16348	1.6
251.17923	2.0
253.19530	5.2
259.16904	18.1
261.18698	2.5
265.19470	2.1
267.21234	3.2
269.22318	1.8
271.16901	1.9
273.18503	7.6
275.20010	7.3
279.21054	1.7
281.22617	3.6
285.18384	2.2
287.20200	2.5
293.21179	2.6
295.20462	2.0
297.18448	1.9
297.22238	1.5
299.19876	3.0
305.22501	1.8
307.65894	1.6
327.23395	1.5
339.23355	1.7
353.24823	2.5
373.28802	8.7
375.30414	3.2
391.29858	32.4
392.30243	1.8
393.31815	3.4
409.30881	37.5
410.31161	3.5
411.32681	3.2
419.29071	15.9
420.30081	1.9
437.25107	2.9
437.30170	22.4
438.23889	3.3
455.26343	6.5
455.31552	58.6
456.31653	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	455.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.5
55.01862	2.8
55.05503	13.0
57.03437	2.3
57.07066	3.0
65.03910	2.5
67.05169	1.8
67.05496	23.0
69.03397	2.2
69.07050	14.8
71.04993	1.8
71.75366	1.6
79.05473	13.9
81.07049	38.0
83.04969	3.1
83.08597	7.3
85.06517	6.8
91.05464	26.2
93.07038	29.5
95.04949	6.8
95.08591	49.6
97.06522	3.6
97.10119	3.3
104.18681	1.6
105.07019	41.5
107.08583	51.0
109.06506	5.4
109.09449	3.2
109.10142	38.5
111.08076	10.1
117.07003	6.7
119.04924	24.1
119.08568	84.6
120.08905	2.3
121.06475	2.8
121.09302	3.2
121.10124	40.6
123.08007	4.5
123.11718	12.2
125.09586	3.1
128.06230	2.3
129.06984	4.4
131.08551	29.6
133.06465	2.1
133.10110	40.1
135.08028	7.7
135.11667	22.5
137.05818	2.0
137.09564	5.1
137.13239	4.3
139.07613	1.9
139.11110	1.9
142.07751	3.9
143.08548	17.3
145.10104	54.0
147.04390	100.0
147.11679	28.8
148.04741	4.6
149.09576	3.4
149.13217	16.2
151.11089	3.3
151.14838	1.8
153.09087	2.5
155.08501	6.2
156.09290	4.0
157.10120	21.9
158.10785	2.4
159.11674	34.3
161.09636	4.5
161.13251	33.5
163.07507	4.9
163.11134	4.4
163.14792	13.0
165.12743	2.3
169.10062	8.7
170.10857	5.9
171.11665	18.5
172.12343	3.4
173.09521	3.1
173.13225	26.3
175.11066	2.0
175.14798	26.5
175.70047	1.5
177.09052	2.5
177.12682	3.0
177.16376	9.4
179.14246	5.3
181.10072	1.9
183.11710	10.3
185.13235	27.8
186.13548	1.7
187.14799	49.7
187.99504	1.5
188.15120	1.7
189.09068	1.8
189.12679	2.5
189.16389	12.3
191.10583	1.9
191.14290	8.4
193.10213	1.8
193.15794	2.2
193.64267	1.9
195.11620	3.2
197.13181	8.6
199.14789	36.9
201.12723	2.6
201.16357	30.9
203.10698	1.7
203.14275	6.4
203.17964	4.6
205.12335	2.2
205.15869	19.1
209.13188	5.6
209.15225	2.9
211.14929	7.8
213.16338	27.5
215.14282	4.4
215.17798	3.7
217.15875	5.6
219.13673	5.2
219.17409	3.8
221.13232	2.4
221.15198	3.4
223.14702	3.6
223.16766	2.9
225.16348	4.8
227.17914	10.9
229.19470	3.3
229.40822	2.4
231.13811	5.8
231.17409	2.3
233.15266	8.3
235.14746	2.0
237.16292	5.1
239.17943	5.7
241.15817	2.0
241.19424	4.3
245.15398	11.0
247.16953	3.3
251.18094	3.2
253.19444	6.5
255.02744	1.8
255.06300	1.5
259.16922	16.1
267.20990	3.7
269.18698	2.3
273.15652	1.6
273.18365	10.6
275.19992	3.2
279.21008	2.6
281.22385	2.6
285.18414	3.4
285.22076	2.1
287.19821	2.8
299.19974	2.6
307.24271	2.0
327.23007	3.3
353.24622	2.0
373.28693	12.9
375.30646	2.3
381.27750	2.3
391.29895	38.0
393.27457	3.5
393.31827	2.4
409.30902	39.7
410.31213	3.7
419.29352	18.0
437.30280	19.7
455.26431	3.5
455.31378	66.2
456.31693	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	455.315
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
51.02348	1.3
51.13377	0.9
51.60162	1.0
53.03939	2.3
53.79280	0.9
55.05498	12.2
57.03420	2.3
57.07068	2.5
57.70784	0.9
62.39918	1.1
65.03926	1.3
67.05492	17.8
69.03419	3.2
69.07053	15.5
69.49363	2.3
69.49779	7.8
71.04984	1.8
79.05476	17.2
81.03409	1.7
81.07042	33.7
81.10610	1.1
83.04964	1.7
83.08610	8.7
85.02870	2.3
85.06544	3.4
91.05464	24.7
93.07029	42.0
95.04945	4.9
95.08588	50.1
97.06490	3.3
97.10174	2.6
98.20726	1.7
99.08074	8.0
103.05431	1.6
105.06288	2.0
105.07013	58.0
107.08573	63.3
109.06504	5.3
109.10134	32.8
110.10503	1.4
111.08075	9.7
113.09625	1.0
115.05423	1.4
117.07012	8.7
119.08560	100.0
120.08883	1.6
121.06470	10.6
121.10118	45.2
123.08034	6.4
123.11670	9.2
125.05997	1.7
125.09632	2.3
127.03874	1.1
128.06203	2.6
129.07001	4.1
130.07782	2.9
131.07562	2.2
131.08543	42.9
131.09503	2.4
133.06490	1.5
133.10109	44.2
134.10460	1.4
135.08041	11.9
135.11661	20.4
137.05965	1.8
137.09589	7.6
137.13228	2.7
141.07034	1.3
142.07805	3.8
143.08530	19.3
144.09343	3.4
145.10101	61.6
146.07318	1.3
146.10522	1.7
147.04398	2.9
147.08020	8.9
147.11656	42.5
149.09595	4.3
149.13235	13.7
151.07523	2.0
151.11061	1.7
151.14807	1.6
152.61165	1.3
155.08527	4.2
156.09315	3.6
157.10107	25.3
158.10852	3.4
159.08041	2.9
159.11673	37.7
161.09576	14.8
161.13226	37.2
163.07565	3.3
163.11148	6.1
163.14813	14.3
165.12726	1.3
169.10112	6.8
170.10915	5.4
171.08145	1.1
171.11665	22.2
172.12448	2.0
173.09586	3.7
173.11725	2.3
173.13223	43.5
175.11203	4.4
175.14796	30.3
175.16249	2.1
176.15199	1.4
177.09132	1.9
177.12721	4.4
177.16359	8.9
179.10684	1.9
179.14291	6.0
181.10075	3.3
182.10910	2.8
183.11671	11.4
184.12404	2.1
185.13223	26.7
185.32767	1.2
187.11209	4.3
187.14786	61.0
188.14996	2.4
189.09184	1.7
189.12694	16.4
189.16354	12.7
191.10707	1.7
191.14296	19.6
191.17969	1.9
193.15862	2.8
195.11691	3.7
195.13762	3.1
197.13274	8.8
199.14783	34.5
200.15170	1.6
201.12733	3.0
201.16341	50.0
202.16628	1.6
203.14284	10.8
203.17963	4.2
205.12228	1.4
205.15823	11.4
207.13805	4.7
209.13269	4.9
209.15382	3.2
211.14803	8.1
212.15556	2.0
213.12926	1.2
213.16331	23.1
213.18311	1.4
215.14313	15.5
215.17923	4.2
217.15874	8.2
219.13866	3.4
219.17310	5.1
221.13330	1.9
221.15436	1.6
223.14757	3.7
223.16856	3.1
225.16327	5.0
227.14336	1.5
227.17889	10.3
229.15897	4.2
229.19572	3.1
231.13806	3.6
231.17482	3.9
233.15259	6.5
235.13091	1.8
235.17010	1.4
237.16383	2.4
239.17918	5.4
241.19496	5.0
243.17433	2.5
245.15315	13.4
247.16922	4.8
251.17957	3.2
253.19461	5.9
255.17429	1.1
255.21094	2.9
257.19128	1.3
259.16928	15.4
263.17834	2.6
265.19504	3.4
267.21054	2.6
269.19171	1.7
269.22580	2.0
271.16824	1.6
271.20670	1.9
273.18518	7.4
273.21326	1.0
275.16772	1.2
275.20041	6.6
277.19611	1.3
279.20926	1.3
281.22549	1.5
283.20413	1.6
285.18405	1.6
287.20154	1.7
291.20941	1.4
295.20590	2.4
297.22037	1.9
299.20157	1.6
303.23569	1.5
305.22717	1.5
307.24155	1.7
319.24088	2.5
321.25793	1.6
325.21765	1.4
337.25198	2.8
367.22726	1.4
373.28958	8.5
375.30508	3.0
391.29883	43.1
392.30344	4.1
393.31583	4.2
401.28247	2.1
409.30930	53.8
410.31284	3.6
411.32495	4.6
419.29388	20.7
420.29581	1.6
427.31961	1.3
437.30414	27.4
438.30493	1.7
455.31509	69.2
456.31836	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	455.3149
Annotation	Wilforic acid
Peak:m/z	Relative Intensity
53.03936	1.4
55.01859	1.0
55.05499	11.6
57.03418	1.7
57.07050	2.5
59.04980	1.8
65.03918	1.5
67.05159	1.4
67.05491	18.8
68.00485	0.9
69.03408	3.0
69.07055	18.5
71.04976	1.8
71.08669	0.7
71.62307	1.1
73.80369	0.7
77.95882	0.8
78.18059	0.8
79.05473	13.3
81.03384	0.9
81.07037	34.8
82.07371	0.7
83.04950	2.1
83.08614	9.1
84.04485	1.0
85.02884	2.5
85.06522	3.3
87.04471	0.9
91.05466	19.5
93.07027	29.8
94.07343	0.8
95.04965	4.0
95.08589	43.7
96.08907	1.0
97.06493	4.1
97.10138	2.6
99.08062	2.0
103.05409	1.3
105.07014	43.8
107.04981	0.8
107.08575	54.5
108.08906	2.0
109.06500	6.2
109.10134	47.0
111.04397	1.3
111.08064	10.2
111.91825	0.7
115.05452	1.9
116.06300	0.7
117.06993	8.0
119.08559	75.9
120.08915	1.4
121.06497	6.3
121.10118	35.2
122.10445	1.1
123.08046	5.4
123.11684	9.9
125.06012	0.9
125.09611	3.1
127.03888	1.5
127.07563	1.4
128.06165	1.9
129.06946	5.4
130.07765	1.2
131.08545	32.3
132.08893	1.3
133.06522	1.3
133.10110	37.9
134.10397	1.0
135.08035	13.4
135.11659	18.8
136.11998	1.1
137.05968	2.9
137.09596	13.6
137.13246	3.0
139.07458	1.1
141.06943	1.2
142.07753	2.2
143.08542	15.8
144.09265	2.3
145.10100	44.6
146.10461	1.9
147.04402	1.0
147.08025	7.4
147.11653	30.8
149.05986	1.0
149.09619	4.4
149.13232	14.0
151.07516	1.8
151.11176	3.4
151.14793	1.0
153.09061	2.3
155.08492	4.9
156.09282	4.6
157.08781	1.2
157.10098	26.0
158.10695	2.4
159.08054	2.3
159.11658	30.5
160.08670	0.9
160.12173	1.4
161.09608	8.9
161.13223	41.0
162.13524	1.1
163.07509	2.5
163.11142	6.0
163.14784	19.1
165.09108	1.8
165.12747	2.1
167.08513	1.1
167.10692	1.1
169.08685	1.3
169.10063	7.8
170.10881	3.6
171.11650	18.5
172.12396	2.5
173.09558	1.1
173.13235	39.9
174.13599	2.4
175.07535	1.4
175.11162	2.9
175.14793	29.6
177.09076	3.2
177.12675	6.6
177.16335	9.8
179.10587	1.0
179.14305	6.9
181.10089	2.7
182.10890	2.3
183.11656	10.8
184.12422	1.3
185.09587	0.8
185.13225	26.0
186.13911	1.2
187.11180	3.0
187.14787	48.9
188.15154	2.4
189.09114	1.1
189.12704	13.5
189.16353	16.6
190.16753	1.2
191.10674	1.8
191.14272	14.2
191.17897	4.8
193.15895	2.3
195.11687	3.3
195.13536	1.0
196.12413	1.4
197.13268	8.7
199.11107	1.6
199.14792	23.0
199.16562	1.6
201.12672	2.9
201.16342	34.5
202.16640	1.1
203.10669	2.1
203.14275	12.4
203.17891	6.7
205.12221	2.3
205.15871	8.0
207.11797	1.7
207.13800	5.3
207.17412	1.1
209.13225	5.3
209.15401	3.7
210.13818	0.9
211.14810	9.1
213.12737	2.9
213.16339	20.9
214.16684	1.3
215.14279	9.3
215.17870	6.1
217.12361	4.4
217.15823	11.6
219.11757	1.0
219.13773	2.1
219.17392	5.6
221.13304	1.5
221.15349	3.7
223.14859	3.8
223.16785	1.2
224.15407	0.9
225.16391	6.6
227.14374	1.1
227.17912	15.1
229.15903	5.6
229.19493	3.6
231.13850	2.4
231.17354	4.6
233.15282	3.1
235.14902	1.1
235.16931	3.1
237.16281	2.9
239.14316	1.2
239.17903	6.6
241.19522	7.6
243.13770	1.6
243.17474	3.5
243.21031	1.7
245.15346	8.3
245.19096	2.2
247.14676	1.5
247.16888	7.3
249.14526	4.0
249.18655	1.1
251.17972	4.4
253.19482	20.7
255.17395	1.7
255.20985	3.7
257.15414	1.4
257.18985	2.1
259.16891	12.7
261.14737	1.6
261.18494	2.0
263.18179	1.2
265.19427	3.2
267.21014	4.3
269.18903	2.0
269.22430	1.3
271.16953	1.9
271.20602	1.4
273.18463	13.4
275.20108	2.3
277.19583	2.8
279.17062	0.9
279.21140	2.5
281.19272	1.0
281.22665	3.7
285.18542	4.3
285.21570	1.1
287.20102	2.2
295.20609	2.4
299.19974	14.2
300.20657	1.6
301.21561	1.2
303.20996	1.7
305.22592	1.7
307.24054	1.6
309.25650	1.0
313.21573	1.6
317.22510	1.4
319.24033	1.4
325.21442	2.3
325.25226	1.2
327.23163	1.9
335.23627	2.4
337.21497	1.0
349.21490	1.7
349.25345	1.9
351.23050	1.5
353.24567	1.6
363.30515	1.9
367.26257	1.9
370.86526	0.9
373.28876	9.9
374.29123	1.0
375.30435	3.2
381.31711	1.2
391.29874	50.7
392.30206	3.3
393.31516	5.3
395.25775	1.0
401.28033	1.2
409.30954	68.8
410.31305	4.4
411.32538	6.7
413.26758	5.6
419.29370	21.0
420.29599	1.8
427.32025	3.6
437.30432	37.0
438.30804	3.2
455.31479	100.0
456.31790	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	455.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.6
55.05506	13.8
55.85293	1.7
57.03426	1.8
57.07061	3.7
58.87088	1.7
60.72852	1.6
67.05499	32.3
69.03420	2.1
69.07055	17.5
71.04985	6.9
79.05489	21.0
81.03384	1.8
81.07043	46.5
83.04969	3.7
83.08619	9.0
85.06525	4.8
91.05463	20.7
93.07034	41.0
93.30585	1.7
93.68615	2.0
95.04957	4.9
95.08595	66.4
96.08936	1.9
97.06502	4.8
99.08056	3.0
105.07017	57.2
107.08582	68.3
109.06498	7.4
109.10146	49.7
111.08060	11.2
115.05386	2.2
117.07016	9.0
119.08562	100.0
120.08876	2.5
121.06513	4.8
121.10121	54.6
123.08075	7.3
123.11687	12.4
125.09595	6.2
127.07526	3.6
127.11187	8.6
127.21111	1.6
128.06261	2.9
129.07031	7.3
130.07726	3.7
131.08556	39.8
133.10118	47.3
135.08041	10.5
135.11674	29.0
135.57085	1.8
137.09619	5.9
137.13217	3.3
141.07043	2.1
142.07817	6.8
143.08521	18.0
144.09322	4.2
145.10109	78.1
147.08025	5.6
147.11670	31.5
149.09608	5.8
149.13243	18.2
151.11206	3.7
151.14838	3.6
153.09120	4.0
155.08531	4.1
156.09360	4.5
157.10115	29.3
158.10861	5.1
159.08032	2.5
159.11665	45.0
161.09596	6.5
161.13225	42.9
163.07521	3.9
163.11151	7.5
163.14807	17.7
165.09076	3.0
165.12758	2.3
169.10155	7.9
170.10890	7.3
171.11658	23.8
172.12401	2.8
173.13248	42.4
175.07585	2.4
175.11124	2.4
175.14806	30.1
177.09105	4.2
177.12781	4.5
177.16406	13.8
179.10657	2.5
179.14305	4.3
181.10098	3.5
183.11678	10.9
185.13234	39.8
185.14833	2.7
187.11185	4.0
187.14796	68.2
188.15157	3.1
189.12799	4.2
189.16376	23.1
191.14297	10.9
191.17966	6.1
193.15866	2.8
195.11679	5.2
196.12306	2.5
197.13231	12.1
197.14922	2.4
199.14793	31.7
201.12750	3.1
201.16362	42.4
203.14311	7.4
203.17920	8.7
205.15819	11.9
207.13835	2.4
209.13318	3.7
211.14694	10.4
213.12859	2.8
213.16377	29.8
215.14343	5.2
215.17957	6.5
217.15839	6.2
217.19557	2.3
219.13872	2.8
219.17386	2.9
221.15358	3.3
223.14915	3.1
223.16902	3.6
225.16400	6.2
227.17892	9.9
229.15858	4.7
229.19476	3.5
231.13800	3.7
231.17451	4.2
233.15352	9.9
237.16405	2.9
239.17972	6.5
241.19499	5.1
243.21210	2.1
245.15347	11.2
247.16968	6.9
251.17865	4.7
253.19450	6.0
255.21121	3.2
257.18994	2.3
259.16931	18.3
263.18063	3.2
265.19418	3.2
267.21036	3.9
269.18906	3.9
269.22775	3.4
273.18506	7.9
275.20145	5.9
281.22656	2.1
285.18552	2.3
285.22180	2.5
307.24088	5.2
327.23141	3.0
369.28012	2.8
373.28787	7.5
375.30582	2.3
391.29910	32.8
393.31766	2.5
409.30847	34.7
409.35492	3.2
410.31284	2.7
411.32867	3.1
419.28940	14.4
437.30353	19.6
437.34622	10.7
438.30670	2.4
455.30750	64.8
456.31537	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	455.3148
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
51.63018	1.8
53.03926	2.4
54.51985	1.5
55.01853	2.1
55.05492	12.4
57.03412	2.2
57.07067	3.3
59.94997	1.6
65.03929	1.7
67.05495	23.0
69.03404	1.7
69.07046	13.3
69.35072	6.1
69.35497	12.3
79.05482	18.0
81.03369	1.7
81.07036	34.8
83.04968	2.1
83.08606	7.5
91.05457	24.1
93.07024	38.4
95.04945	4.4
95.08589	50.5
96.08907	2.8
97.06491	3.1
97.10170	3.4
99.08072	6.9
105.07010	53.1
106.07341	1.7
107.08574	65.3
108.08913	2.1
109.06482	4.8
109.10139	37.6
111.08057	8.4
117.07014	7.6
119.08562	100.0
121.06464	9.3
121.10120	45.3
123.08035	5.6
123.11679	11.4
125.09622	2.3
127.07450	1.7
128.06200	2.6
129.06982	5.3
131.08551	44.7
133.10104	47.4
135.08011	13.9
135.11661	21.4
137.09590	6.4
137.13225	4.0
142.07672	4.2
143.08545	19.2
144.09267	2.1
145.10100	55.0
146.10490	1.8
147.08003	7.8
147.11664	44.2
149.09563	4.9
149.13220	13.8
151.11160	2.2
155.08534	5.5
156.09293	6.2
157.10110	23.1
158.10872	3.6
159.08156	2.2
159.11664	36.7
160.12509	1.8
161.09583	12.2
161.13226	40.4
163.07466	1.9
163.11148	7.3
163.14783	17.3
165.06754	1.7
167.10406	1.9
168.09334	2.1
169.10092	7.7
170.10837	3.5
171.11662	22.4
173.09547	4.6
173.13237	40.6
175.11174	4.0
175.14781	31.2
177.09163	2.3
177.12749	4.4
177.16336	10.0
179.14291	6.6
181.10049	1.8
182.10774	2.2
183.11661	12.5
184.12369	3.1
185.13255	29.7
186.13895	1.8
187.11209	3.6
187.14795	60.3
189.12720	16.6
189.16360	15.2
191.14284	16.9
193.15909	3.0
195.11642	3.5
195.13637	2.4
197.13240	7.0
199.11090	2.5
199.14799	28.8
201.12660	2.1
201.16342	41.6
201.18216	2.7
202.16650	1.9
203.14325	8.7
203.17943	3.7
204.14616	1.8
205.15816	9.2
207.13814	2.9
209.13187	6.3
209.15044	2.2
210.13693	2.7
211.14771	8.2
213.16362	22.0
215.14301	6.7
215.17921	4.6
217.15836	7.9
217.19402	2.9
219.13760	5.6
219.17422	3.8
221.15303	2.4
223.14818	3.7
225.16379	5.4
227.14331	2.6
227.17915	10.4
229.15811	5.0
229.19453	5.1
231.13921	3.3
231.17546	2.7
233.15373	6.0
237.16400	3.1
239.17940	6.1
241.19440	3.0
243.17502	1.9
245.15366	11.1
245.19069	2.4
247.16843	3.9
251.17932	5.2
253.19484	7.1
254.26694	1.9
255.17308	2.5
255.21011	2.0
257.18958	2.9
259.16916	13.8
263.17828	1.9
265.19443	2.1
267.20901	2.4
269.18918	3.1
273.18469	8.3
275.20016	3.4
279.20801	2.8
285.18488	3.2
299.20038	4.6
303.20721	2.6
315.22983	1.9
373.28900	7.4
375.30148	2.2
391.29868	39.6
391.34854	3.0
392.30209	2.6
393.31393	3.6
409.30911	54.4
410.31320	4.7
411.32501	2.2
419.29346	15.6
437.30313	30.8
438.30890	2.1
455.31424	71.4
456.31754	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	455.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.4
57.03426	2.1
57.07076	3.5
66.21751	2.2
67.05495	20.6
67.84418	2.1
69.07066	13.4
79.05482	14.6
81.07047	34.1
83.04978	3.3
83.08613	5.5
85.06478	2.3
91.05469	24.6
93.07028	38.5
95.04925	3.6
95.08035	4.0
95.08589	47.3
97.06522	4.1
98.21503	5.6
99.08064	9.3
105.06380	4.1
105.07022	53.6
107.08584	63.9
109.06477	4.1
109.10138	42.1
111.08042	6.9
117.06981	9.3
119.08563	100.0
121.06473	7.8
121.10133	39.0
123.08047	7.4
123.11668	14.6
125.05962	2.2
125.09570	2.4
128.06201	2.9
129.07005	5.5
130.07797	4.0
131.08551	45.5
133.10124	44.5
135.08041	10.4
135.11700	21.5
137.09622	5.2
137.13213	2.8
142.07721	5.2
143.08548	15.0
145.10100	56.9
146.96927	2.0
147.08046	8.6
147.11671	46.2
148.11931	2.5
149.09564	4.3
149.13239	17.1
151.07574	2.8
151.11180	2.4
155.08548	6.2
156.09282	3.2
157.10097	24.7
158.10863	2.7
159.08058	2.7
159.11670	39.8
161.09608	11.8
161.13231	40.0
163.07574	2.6
163.11134	4.3
163.14769	16.2
165.12746	3.0
169.10075	8.4
170.10863	6.6
171.11642	21.0
172.12341	2.5
173.13235	40.6
175.11122	4.5
175.14809	33.5
177.09091	2.6
177.12660	5.5
177.16365	11.2
179.14258	7.7
181.09978	3.2
183.11655	9.6
184.12476	3.3
185.13231	28.0
187.11235	2.8
187.14796	55.6
188.15176	2.9
189.12674	12.4
189.16400	15.1
191.14258	14.2
193.15912	2.6
195.11653	2.8
197.13263	9.5
199.14809	40.1
201.12660	3.1
201.16348	49.2
202.16698	3.4
203.14294	9.4
203.17920	5.1
205.15889	12.6
207.13687	3.3
209.13242	6.5
211.14769	8.0
213.16354	28.8
215.14349	14.9
215.17918	4.3
217.10141	2.4
217.15916	10.9
219.13843	3.7
219.17300	3.5
221.15433	3.2
223.14838	2.6
223.16866	3.7
225.16357	3.3
227.17839	10.2
229.15839	5.9
229.19530	5.8
233.15349	6.5
237.16345	2.9
239.17921	6.1
241.19478	4.3
245.15312	14.0
245.19174	2.6
247.16895	5.1
253.19385	6.4
259.16925	21.3
263.17783	2.8
267.21069	3.2
269.18951	2.2
273.18408	8.9
275.20093	6.5
281.22684	2.8
285.18387	3.8
285.22122	4.1
337.25311	3.6
373.28778	9.8
375.30328	3.3
391.29895	43.8
392.30215	3.2
393.31561	3.1
409.30969	56.5
410.31268	4.4
411.32516	4.6
419.29391	17.1
437.30466	31.8
438.30701	2.9
455.31442	85.6
456.31833	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.8
55.05499	17.9
56.14694	1.9
57.03423	2.0
57.07069	5.6
59.05004	2.8
60.32135	1.9
65.03926	4.2
67.05493	35.7
69.03408	3.0
69.07061	18.8
71.04984	9.9
72.01395	2.1
79.05485	28.0
81.07050	48.1
81.07517	4.1
83.04967	5.5
83.08606	11.2
85.06538	10.0
91.05464	27.9
93.05589	2.0
93.07034	39.5
95.04945	7.1
95.08594	67.0
97.06516	9.7
97.10158	5.5
99.04333	2.0
105.07014	62.3
107.07861	4.3
107.08583	74.1
109.06501	7.0
109.10144	55.9
111.08075	11.7
117.07001	11.5
119.08568	100.0
121.06549	5.1
121.10123	55.4
123.08051	6.6
123.11668	18.8
124.14545	2.1
124.15427	2.2
125.09619	6.9
127.07553	2.2
127.11181	10.3
128.06210	3.6
128.80919	2.5
129.07010	9.2
130.07703	3.3
131.08549	46.1
133.06474	2.3
133.09190	2.0
133.10117	47.5
135.08067	12.9
135.11676	35.3
137.09618	7.1
137.13240	6.4
141.06944	3.7
142.07770	4.8
143.08545	26.7
144.09354	5.0
145.10109	68.7
147.07956	4.3
147.11661	41.2
149.09599	6.3
149.13252	18.0
151.11186	5.5
153.09143	3.9
154.85205	2.1
155.08559	9.4
156.09348	4.1
157.10118	32.5
158.10924	4.4
159.11679	46.5
161.09561	7.7
161.13235	43.4
162.13571	3.4
163.07581	3.2
163.11194	5.2
163.14798	15.9
164.21793	2.1
165.12767	5.0
168.09351	2.7
169.10063	12.0
170.10815	5.3
171.11656	26.8
172.12218	2.5
173.09790	2.9
173.11833	3.4
173.13232	43.9
174.13564	3.2
175.11189	6.7
175.14799	26.0
177.09146	2.6
177.12796	7.1
177.16420	14.5
179.10629	2.4
179.14328	5.9
181.10127	3.9
183.11671	12.0
184.12427	3.0
185.13234	40.5
187.11186	3.8
187.14803	55.5
188.15234	2.6
189.12714	4.2
189.16380	17.9
191.14212	11.6
191.17937	5.0
193.10138	2.4
193.15872	5.0
195.11726	3.7
197.13220	19.1
199.14804	72.8
200.15398	2.4
201.12788	3.4
201.16351	45.1
203.14346	6.4
203.17963	6.8
205.15895	17.4
207.17465	2.7
209.13275	7.8
209.15247	4.7
211.14827	13.6
213.12888	2.3
213.16356	39.4
215.14328	5.2
215.18077	6.1
217.15837	7.4
219.13777	5.4
219.17476	3.8
221.13167	2.7
221.15248	3.4
222.13812	2.6
223.14880	3.4
223.16974	3.1
225.16370	8.2
227.12637	2.6
227.17908	23.2
229.19469	5.1
231.13756	7.2
231.17410	4.2
233.15363	11.9
237.16457	6.1
239.17963	7.1
241.19501	3.6
245.15308	18.5
247.16954	5.5
249.16348	2.8
251.17953	5.6
253.19495	6.6
257.15442	2.6
259.16925	24.1
265.19443	4.0
267.21017	5.8
273.18469	24.1
275.17572	2.5
275.20218	2.7
277.19437	4.3
279.21164	4.5
287.20087	3.2
291.21039	2.6
293.22601	3.0
295.20477	2.6
299.20056	4.4
303.20834	3.4
307.24100	4.2
353.24796	3.5
373.28885	16.9
375.30438	3.2
391.29883	44.9
392.30487	3.6
393.31665	4.0
409.30865	49.5
410.31537	3.0
419.28955	17.5
437.29553	21.7
455.30890	66.2
456.31613	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	455.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28769	0.4
53.00290	0.4
53.03930	0.6
57.03422	1.2
57.07043	0.7
67.05492	2.4
67.80984	0.4
69.03418	3.3
69.07050	1.4
69.31739	3.8
69.32147	0.5
70.06576	1.8
71.04983	38.8
73.02888	0.6
79.05462	0.5
81.03407	2.4
81.07066	0.9
83.04969	0.4
85.02888	4.2
85.06531	10.4
85.54161	0.4
91.05451	0.6
93.07025	0.8
95.04954	1.8
95.08599	0.9
97.02868	3.5
99.04448	1.2
99.08073	0.6
103.07578	2.3
105.06998	0.7
107.08595	0.6
109.02865	2.6
109.10115	1.3
112.07581	0.6
113.05988	5.3
119.08540	0.5
121.08590	1.5
121.10078	0.4
127.03875	4.8
127.07534	15.6
127.11193	0.4
129.05536	0.5
131.07018	11.9
140.07050	0.7
141.05418	1.0
141.09091	0.4
142.39713	0.5
145.08578	100.0
146.08905	1.1
147.04361	0.8
151.03766	0.6
152.14410	0.4
153.01830	0.6
155.07043	0.9
161.13718	0.5
173.08054	3.5
174.05467	0.6
175.05823	0.6
181.04993	0.7
191.09120	13.1
195.01044	0.4
211.09637	0.6
257.10056	0.6
275.11255	0.6
289.12891	0.5
299.11130	1.0
317.12161	3.1
335.13348	7.0
419.19092	0.8
440.33514	0.4
455.12271	0.7
455.22772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01865	0.9
55.05501	0.9
57.03432	2.1
57.07062	1.1
59.04980	1.0
67.05495	3.6
69.03417	4.3
69.07043	1.4
69.53822	3.4
70.06570	2.3
71.04984	38.9
73.02904	1.0
79.05500	0.6
81.03411	3.4
81.07071	2.3
83.04951	0.7
83.08600	0.6
84.08118	0.5
85.02895	4.3
85.06534	11.9
86.09681	0.5
89.06009	0.4
91.05479	0.6
93.07030	0.8
93.54815	0.3
95.04969	2.3
95.05450	0.4
95.08581	1.5
97.02888	3.3
97.06532	0.4
98.20822	0.9
99.04433	1.2
99.08080	0.8
101.02400	0.5
102.05515	0.3
103.07572	3.0
105.07004	0.5
107.08601	0.5
109.02871	4.0
109.06529	0.4
109.10133	0.8
112.07596	1.7
113.05997	6.4
115.03922	0.6
117.05486	0.4
119.08614	0.4
121.02874	1.0
121.06469	0.5
121.08584	1.7
127.03899	4.7
127.07538	18.2
129.05446	1.3
131.04941	0.5
131.07030	14.9
131.08511	0.6
137.06015	0.9
138.09174	0.5
139.03900	0.5
140.07039	1.1
141.05505	1.1
145.04915	1.7
145.08578	100.0
146.06032	1.1
146.08939	1.2
147.04425	0.8
147.06378	0.8
151.03830	0.6
153.01826	0.8
155.06999	0.9
160.13283	0.9
161.13586	0.7
167.07094	0.5
169.04883	0.5
173.08096	2.5
174.05487	0.8
175.05844	0.7
185.08000	0.4
187.06000	0.5
191.09116	12.0
236.78143	0.4
240.42720	0.4
251.58740	0.4
257.10117	1.1
257.17596	0.4
275.11169	0.5
275.13925	0.6
289.12766	0.6
293.07901	0.6
299.11264	1.2
301.09259	0.5
317.12280	2.7
323.18558	0.6
335.13263	6.1
345.50122	0.4
401.18066	0.6
419.18738	0.9
419.24283	0.5
455.11646	0.5
455.22720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01852	1.2
55.05490	1.7
57.03427	59.7
58.03777	1.0
59.04980	2.5
59.87556	0.8
61.02892	1.0
64.38869	0.6
69.03419	35.9
69.07034	1.2
70.06589	1.3
71.04974	7.5
71.61823	0.8
73.02885	1.3
79.05470	1.1
81.03402	22.9
81.07021	1.2
83.04967	2.8
84.08139	1.0
85.02897	11.1
85.06518	1.3
87.04448	3.1
89.06025	2.8
93.07008	1.2
95.04945	1.7
97.02869	13.3
97.06511	2.7
99.04441	30.7
99.05090	1.6
99.08041	1.1
101.02348	1.8
101.05998	2.3
103.03963	0.7
103.62061	0.8
109.02863	9.3
109.06490	1.3
111.04434	1.5
113.05986	10.4
115.03896	1.1
115.07547	1.0
117.05476	25.6
121.02846	1.3
123.04405	1.6
124.07554	1.5
127.03893	21.0
127.07504	1.0
129.05463	6.4
131.07021	100.0
132.07368	1.8
133.10156	1.0
135.06493	2.0
136.07523	1.3
138.05521	0.9
139.03900	1.6
139.07492	3.8
140.07016	1.8
141.05452	4.6
142.08647	1.0
145.04922	12.6
145.08617	1.4
147.06506	1.3
151.03877	0.9
153.01814	4.2
153.07520	0.9
154.08559	1.6
157.08623	1.7
159.06543	2.6
161.13194	1.0
163.03914	1.0
163.06001	4.1
177.07516	1.0
178.20908	0.7
187.06023	1.9
199.06332	1.3
201.07460	1.0
219.02859	1.1
225.07605	1.2
231.08664	1.0
243.08582	5.2
257.10175	1.3
261.09671	1.6
275.11206	2.1
275.13962	1.0
279.10788	2.6
285.09769	1.9
293.02957	1.5
293.14981	1.1
297.11716	2.1
303.10773	4.1
321.11728	7.0
377.14334	1.8
387.13483	0.8
401.14279	1.0
419.15280	7.7
437.16422	4.5
455.20370	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.1
53.03930	0.1
55.05499	0.3
57.03427	0.1
57.07053	0.1
65.03924	1.0
67.05486	0.6
67.26247	0.1
69.03410	0.5
69.07059	0.3
70.53824	0.1
70.54187	0.2
71.05001	0.1
79.05480	0.3
81.03418	0.4
81.07044	0.7
83.04984	0.2
83.08607	0.2
84.04483	0.1
85.02888	0.2
85.06519	0.1
91.05464	10.0
92.05780	0.2
93.07036	0.6
95.04945	0.2
95.08583	0.7
96.55283	0.1
97.02869	0.1
97.06506	0.1
98.21519	0.1
99.04420	0.1
99.08070	0.1
105.07001	0.6
107.08584	0.8
109.02847	0.3
109.06516	0.2
109.10133	0.8
111.08085	0.1
117.06975	0.1
119.04921	22.3
119.08550	0.7
120.05251	0.5
121.06512	0.1
121.10131	0.5
121.84534	0.1
123.08073	0.2
123.11677	0.2
125.05976	0.1
125.09600	0.2
126.16196	0.1
127.03873	0.3
129.07014	0.1
131.08545	0.3
133.06419	0.1
133.10103	0.7
135.07959	0.1
135.11725	0.4
137.09589	0.1
143.08537	0.2
145.10078	0.5
147.04382	100.0
147.11633	0.4
148.04716	2.2
149.09555	0.1
149.13246	0.2
151.07553	0.1
157.06451	0.1
157.10127	0.2
159.11674	0.4
161.09560	0.2
161.13239	0.3
163.11208	0.1
163.14803	0.1
165.09077	0.2
169.10156	0.1
171.10205	0.1
171.11688	0.3
173.13234	0.3
175.14789	0.2
177.16371	0.1
183.11684	0.1
185.13240	0.3
187.11118	0.1
187.14861	0.5
189.12733	0.1
189.16330	0.2
191.10669	0.1
191.14284	0.1
195.11699	0.1
197.13242	0.1
199.14780	0.3
201.16391	0.2
205.15846	0.1
207.06494	0.2
211.07477	0.1
211.14905	0.1
213.16432	0.1
215.14124	0.1
215.18068	0.1
227.17796	0.1
255.06499	0.1
255.21187	0.1
273.07501	0.2
275.19669	0.1
291.08676	0.2
391.29776	0.3
409.30988	0.3
419.28845	0.1
437.12250	1.5
437.29965	0.2
438.12857	0.1
455.13336	0.2
455.25726	0.1
455.30573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
55.01858	0.4
55.05500	1.3
57.03407	0.3
57.07069	0.2
57.36555	0.2
57.55240	0.2
58.08671	0.1
62.27335	0.2
65.03932	1.5
67.05496	3.0
69.03413	0.5
69.07058	1.2
69.55890	0.3
69.56299	1.4
71.04981	0.4
79.05485	1.1
81.03402	0.7
81.07043	2.5
83.04974	0.4
83.08607	0.5
85.02863	0.2
85.06526	0.2
91.05468	13.8
92.05719	0.2
93.07024	2.1
95.04977	0.3
95.08593	3.1
97.06528	0.3
97.10161	0.4
105.07001	2.5
107.04948	0.2
107.08572	2.7
109.02853	0.3
109.06504	0.5
109.10143	2.9
111.08051	0.6
117.06994	0.4
119.04924	27.7
119.08557	3.7
120.05260	0.4
121.10131	1.8
123.08101	0.4
123.11693	0.6
125.09611	0.6
127.03912	0.4
127.11145	0.2
129.06993	0.4
131.08531	1.3
133.10126	2.2
135.08014	0.6
135.11681	1.1
137.09602	0.6
137.13196	0.3
143.08536	1.0
145.10107	2.0
147.04387	100.0
147.11650	1.5
148.04718	2.0
149.09583	0.5
149.13228	0.6
155.08511	0.3
157.10120	1.1
158.10982	0.3
159.11656	1.2
161.09547	0.3
161.13261	1.4
163.11165	0.3
163.14769	0.7
169.10020	0.4
171.11638	0.8
173.11665	0.5
173.13239	1.3
175.11061	0.3
175.14786	1.6
177.09180	0.2
177.12801	0.3
177.16447	0.3
179.14285	0.4
183.11674	0.4
185.13211	1.2
187.11168	0.3
187.14746	1.6
189.12712	0.4
189.16338	0.7
191.14330	0.6
195.11772	0.3
197.13190	0.4
199.14792	1.2
201.16299	1.5
203.14226	0.5
203.17882	0.3
205.15842	0.3
209.11649	0.3
209.13460	0.3
211.14824	0.4
213.16362	0.7
215.17935	0.2
219.17348	0.2
223.14626	0.2
227.17903	0.6
229.19638	0.2
231.17427	0.4
233.15250	0.2
235.17271	0.2
239.17973	0.4
241.19550	0.2
245.15353	0.3
253.19460	0.2
259.16907	0.7
273.18405	0.6
283.15277	0.3
299.20016	0.3
307.24011	0.3
373.28754	0.3
391.29947	1.1
394.38763	0.2
409.30728	1.2
419.29065	0.6
432.54169	0.2
437.12234	0.5
437.30161	1.5
453.89853	0.2
455.26053	1.1
455.31390	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.1
53.03913	0.1
54.05652	0.1
55.01865	0.1
55.05498	0.2
55.60476	0.1
57.07065	0.1
65.03921	0.9
67.05486	0.4
69.03417	0.5
69.07049	0.3
70.67835	0.3
70.68201	0.1
71.04995	0.1
74.06300	0.1
79.05483	0.2
81.03406	0.4
81.07040	0.8
83.08593	0.2
85.02908	0.1
85.06515	0.2
91.05466	10.3
92.05814	0.2
93.07037	0.5
95.04932	0.1
95.08613	0.6
97.06487	0.1
105.07013	0.5
107.08575	0.8
109.02869	0.4
109.06522	0.2
109.10131	0.6
119.04924	23.4
119.08559	1.1
120.05251	0.3
121.10144	0.3
123.08069	0.2
123.11650	0.3
125.05969	0.1
127.03873	0.3
131.08536	0.3
133.10114	0.5
135.11713	0.2
143.08574	0.1
145.10109	0.5
147.04387	100.0
147.11661	0.4
148.04713	1.8
149.13257	0.2
157.10091	0.3
159.11687	0.3
161.13237	0.2
163.14870	0.1
165.09091	0.1
173.13231	0.3
175.14886	0.3
177.16418	0.1
185.13251	0.2
187.14801	0.3
189.16386	0.2
199.14787	0.2
201.16304	0.3
203.21249	0.1
207.06555	0.1
211.14827	0.1
213.16245	0.3
219.17458	0.1
273.07596	0.2
291.08749	0.1
391.29706	0.3
409.30576	0.2
419.28232	0.1
437.12253	1.7
437.29791	0.1
437.34854	0.2
455.13382	0.2
455.30112	0.2
455.35361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
53.00295	0.1
53.03939	0.1
55.05491	0.3
56.82520	0.1
57.03442	0.1
62.67133	0.1
65.03923	1.2
67.05497	0.6
69.03413	0.5
69.07056	0.4
70.64719	0.2
71.04961	0.1
74.61324	0.1
79.05466	0.5
81.03403	0.5
81.07046	1.2
83.04964	0.2
83.08638	0.2
85.02927	0.2
85.06533	0.2
91.05468	10.7
92.05779	0.1
93.07027	0.7
95.04961	0.3
95.08582	1.0
97.06525	0.3
97.10159	0.1
99.04439	0.2
105.07011	0.9
107.04934	0.2
107.08571	0.9
109.02190	0.1
109.02876	0.2
109.06499	0.2
109.10137	1.1
111.08135	0.1
116.03783	0.1
117.06978	0.1
119.04926	25.6
119.08544	1.0
120.05225	0.5
121.06543	0.1
121.10119	0.7
123.08075	0.1
123.11674	0.4
123.61734	0.1
125.09642	0.2
127.03897	0.2
129.06923	0.2
131.08540	0.4
133.10132	0.7
135.08073	0.1
135.11678	0.4
137.13197	0.1
145.10162	0.7
147.04390	100.0
147.11639	0.5
148.04724	2.0
149.09637	0.2
149.13223	0.4
155.08357	0.1
157.10089	0.2
159.11667	0.6
161.09615	0.1
161.13248	0.4
163.14867	0.2
165.09085	0.1
165.12642	0.1
169.10129	0.1
171.11699	0.2
173.11871	0.1
173.13223	0.4
175.11137	0.2
175.14825	0.3
177.16415	0.1
183.11710	0.1
185.13223	0.4
187.14807	0.4
189.12717	0.2
189.16382	0.2
191.14304	0.2
197.13116	0.1
199.14803	0.4
201.16382	0.3
203.14308	0.2
203.18001	0.1
205.15833	0.2
207.06467	0.2
211.07527	0.1
213.16385	0.2
215.17947	0.1
231.06506	0.1
255.06465	0.2
273.07404	0.2
291.08557	0.1
311.23700	0.1
337.61752	0.1
391.29837	0.2
419.28696	0.2
437.12311	1.4
437.29327	0.1
437.34259	0.3
455.12970	0.1
455.25851	0.1
455.30319	0.5
455.35992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52676	0.3
83.45728	0.2
89.19481	0.2
94.70695	0.2
112.89577	1.3
119.01887	0.4
120.97050	0.2
131.01872	0.7
131.51921	0.3
143.01880	0.6
152.02409	0.4
161.02953	0.6
173.02948	0.5
182.03503	0.3
185.02954	0.3
203.04036	1.0
203.54105	0.3
224.04643	0.4
245.05101	0.5
249.23380	0.2
259.14508	0.2
263.06067	0.3
275.06131	0.6
455.11560	100.0
456.11957	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	455.126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	2.6
57.03424	3.6
61.02908	1.9
64.77153	1.1
66.34065	1.2
69.03423	6.5
69.27881	7.1
69.28318	6.8
71.04983	1.4
73.02906	3.2
79.01848	1.3
81.03394	4.0
82.99844	2.2
83.01421	1.4
83.69920	1.2
85.02897	11.4
87.04457	2.6
91.05464	2.0
97.02898	6.6
98.21133	6.7
98.97576	6.7
101.00876	4.2
103.02431	3.1
109.02840	3.0
110.97610	1.3
115.02399	2.1
116.98611	4.1
119.01914	14.9
121.01658	2.0
121.03504	2.8
124.07591	2.0
127.02444	2.2
127.03900	7.3
128.01360	1.1
128.98616	2.0
129.04001	2.5
131.01888	9.9
133.03555	9.3
137.01891	1.4
137.02960	1.8
137.05988	3.0
143.00110	2.6
143.01898	9.9
143.02971	1.2
143.03404	1.3
145.03465	8.1
145.04939	6.3
146.99597	2.6
147.03241	1.9
147.04974	4.4
149.01157	1.8
149.02971	2.3
151.04579	1.7
153.01811	35.7
154.02159	3.1
155.01877	8.3
157.03456	4.7
159.05035	6.2
161.01343	2.2
161.02951	14.5
162.02934	1.3
163.02657	1.5
163.04515	2.1
167.01949	2.5
167.06999	2.9
169.03459	4.7
171.05002	8.8
173.02951	24.6
175.04498	4.9
177.00670	1.4
177.06041	6.0
179.01942	2.1
183.05017	4.2
185.02962	15.4
187.04491	7.7
189.06024	2.9
191.02103	1.5
195.05345	1.3
195.07109	8.1
197.02905	7.8
201.00679	1.7
201.06058	4.1
203.03934	10.2
205.05487	2.4
207.05125	1.5
208.97650	1.8
211.04584	2.1
215.03998	3.4
217.05527	2.7
219.01672	2.4
219.07086	22.2
221.05042	9.5
225.06123	2.0
226.98604	3.3
227.03979	2.6
231.07123	18.8
231.09187	1.6
233.08739	5.1
237.02713	3.5
237.08150	1.6
241.74109	1.3
243.07167	1.5
244.99734	1.7
245.05064	39.3
246.05037	1.5
249.08202	1.5
255.07101	4.7
259.06616	2.8
261.08255	5.6
263.00830	3.2
263.06174	6.7
269.04846	3.0
273.08157	5.1
275.06146	4.9
276.00061	1.2
278.05447	7.0
278.55774	1.8
283.04681	2.2
283.56503	1.4
284.06955	1.6
289.56186	1.6
293.03433	3.2
293.07043	2.8
305.06970	3.3
307.08774	2.3
321.10275	100.0
322.10495	4.9
335.08591	1.7
337.10025	2.8
339.11298	2.2
341.07083	10.0
350.07614	10.0
350.57858	3.3
351.11371	4.0
363.02368	2.3
365.08902	11.7
374.08664	11.3
374.58771	2.6
426.74683	1.2
437.07227	1.5
455.11801	90.3
456.12326	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	454.2921
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
55.05504	3.6
57.03426	4.7
57.06790	1.1
57.07067	21.5
59.34404	0.5
62.06079	23.8
67.05496	5.3
69.07050	4.5
69.54961	1.2
69.55362	3.9
71.04977	0.6
71.08623	15.7
79.05479	1.4
81.07047	7.8
83.04993	0.8
83.08604	5.3
85.02773	0.6
85.06572	0.7
85.10173	7.7
89.06042	1.0
91.05447	1.9
93.07007	1.7
94.07361	0.6
95.08582	11.4
96.54565	0.6
97.06497	0.9
97.10152	2.9
97.68376	0.6
98.20709	1.1
98.98457	5.3
103.07551	1.1
105.07010	2.7
107.08562	3.0
108.08903	0.8
109.10142	6.5
119.08582	3.5
121.10115	3.2
123.11692	2.3
124.01550	1.8
127.11219	0.6
131.08516	0.9
133.10114	1.9
134.10457	1.1
135.11636	1.5
137.09547	0.6
139.14740	0.6
142.02621	1.9
143.08572	0.9
145.10095	1.6
146.10378	0.8
147.11652	1.2
149.13287	0.8
155.01039	5.1
157.10152	0.8
159.11656	1.1
161.13220	1.0
163.14752	0.6
171.11620	0.8
173.02022	0.8
173.13213	1.2
175.14828	1.2
176.15024	0.6
185.13240	0.9
186.13528	0.7
187.14896	1.2
189.16365	1.4
191.18060	0.7
198.05168	1.4
201.16325	1.3
202.99684	0.8
212.51878	0.6
213.16422	0.6
216.06279	2.7
239.23653	2.3
239.25838	0.6
257.24677	0.6
282.27875	13.2
313.27313	100.0
314.27606	4.1
381.20883	0.6
393.23935	8.0
408.33472	0.7
432.52042	0.7
436.28076	4.5
436.32950	1.9
454.28781	2.4
454.34241	7.1
455.35135	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01866	15.5
55.05495	5.6
57.03430	40.5
57.07078	2.1
59.04980	6.2
60.04490	4.6
61.02906	7.5
67.05486	5.8
69.03425	24.7
69.07043	10.2
69.30067	11.7
69.30482	6.3
70.06575	10.0
71.01334	5.6
71.04982	38.5
72.08102	2.6
73.02906	18.8
74.12167	1.8
79.05473	5.3
81.03423	13.5
81.07060	13.2
83.04979	5.6
84.08138	13.4
85.02892	41.7
85.06534	30.8
86.09693	21.6
87.04456	7.4
91.05466	2.9
91.29824	2.3
93.07027	6.3
95.01311	2.9
95.04971	4.6
95.08604	4.5
97.02879	30.8
97.06476	10.8
98.09683	12.2
98.21558	2.2
99.04443	6.0
99.08071	29.4
101.05984	2.5
102.09166	21.1
103.03963	2.9
105.07033	3.3
107.08586	4.9
109.02872	11.4
109.10149	5.0
110.10442	2.4
112.07549	2.4
113.02368	2.7
113.05967	10.4
114.09151	3.8
115.03931	13.6
116.10710	26.2
119.04936	2.0
119.08521	1.7
121.02869	6.0
121.08630	2.3
121.10141	4.2
123.04456	2.3
123.08042	4.0
124.11214	2.1
125.05902	1.9
125.09615	3.0
126.12801	2.2
127.03903	21.3
127.07533	15.1
128.04984	3.7
129.05463	4.2
131.07027	17.4
133.04930	13.4
133.10083	2.2
137.05957	3.6
137.77519	1.8
139.07533	5.2
139.11148	1.8
139.83447	1.6
140.07091	2.0
141.09094	2.2
142.12248	16.2
143.10747	2.5
144.13824	3.1
145.04950	11.5
145.08580	88.0
146.05988	52.0
146.07938	1.8
147.04408	4.7
147.06410	1.8
151.07500	1.9
153.01839	2.2
155.07100	2.6
157.08568	2.9
160.13309	100.0
160.51521	2.0
161.13544	2.3
167.07072	3.9
169.08595	2.2
173.08218	3.3
174.05487	35.4
175.05914	2.0
177.05504	7.3
190.04831	2.0
191.09200	7.8
201.11255	1.9
203.05112	5.5
204.05952	5.6
230.04170	1.9
239.05402	1.8
246.06932	11.7
257.17499	14.1
264.14532	4.7
272.11353	2.4
275.18533	5.6
292.07477	28.9
292.17386	3.4
300.08606	20.4
317.12299	2.1
318.09793	5.3
322.18570	36.3
335.13361	7.2
396.18689	13.8
436.18591	3.6
454.17224	5.2
454.22806	65.8
455.23361	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	454.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01852	0.6
56.96555	1.1
57.03404	0.9
61.02924	0.7
61.17341	0.5
69.03421	5.1
69.07031	0.5
69.80817	3.2
70.06589	3.9
71.04971	1.1
79.01845	1.3
81.03401	7.6
85.02904	6.5
87.04451	0.8
95.01299	0.7
97.02883	6.6
98.97575	1.1
99.04426	1.6
107.01289	0.8
109.02863	7.0
112.07579	4.1
113.02348	1.5
114.03764	0.7
116.98592	1.2
123.04351	0.7
125.02356	2.9
127.03907	9.4
127.04790	0.9
139.03865	0.8
140.07130	1.4
143.03358	4.1
145.04933	2.3
153.01805	100.0
154.02156	1.3
158.08086	0.9
163.03822	0.9
167.07062	1.5
171.02872	13.8
177.00827	0.6
181.83728	0.5
188.41479	0.6
219.95828	0.6
237.02827	1.3
240.84793	0.6
257.06522	2.0
261.06201	0.8
279.04819	0.7
284.11124	1.3
297.05991	10.8
297.09372	0.7
311.52582	0.7
315.07050	24.8
348.39215	0.6
349.06610	0.6
357.19614	0.7
367.20282	0.6
429.11292	0.6
454.01657	0.7
454.13715	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	9.0
55.01862	7.7
55.05866	2.9
56.96552	4.5
57.03426	5.3
61.02907	10.6
65.90691	3.0
69.03415	50.2
70.06579	90.6
71.01394	3.5
71.04972	11.3
71.61216	4.5
73.02908	4.7
81.03400	23.9
85.02889	65.4
86.03217	3.6
95.01315	49.3
97.02274	6.9
97.02879	100.0
98.97595	3.7
99.04462	16.2
104.55264	3.0
108.04480	3.1
109.02863	21.8
112.07585	94.9
113.02351	73.5
116.98581	6.4
121.95360	3.6
123.04380	4.3
125.02306	5.2
127.03909	48.0
131.24765	3.2
137.05988	4.9
139.03894	5.0
140.07043	58.7
143.03395	5.4
145.04933	76.3
153.01811	49.3
154.02130	5.0
158.08107	13.3
162.40277	3.0
165.05438	3.9
177.05475	4.9
188.03717	4.2
197.08080	5.8
209.04602	5.0
209.08076	5.1
219.01976	4.0
223.04770	3.3
237.02885	4.9
239.05296	4.2
257.06528	99.1
263.00742	3.5
263.19815	2.8
266.10117	4.9
284.11176	18.1
302.12372	6.7
314.81210	2.9
315.06909	4.5
349.08868	5.9
358.58163	3.1
377.17770	3.3
400.14520	3.8
430.11441	3.8
454.11960	3.3
454.17831	6.1
472.35486	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92439	1.4
53.95857	1.5
55.05500	14.3
57.07060	5.0
63.15244	1.3
67.05507	6.9
69.07054	10.2
69.57632	11.0
79.05463	5.7
79.47534	1.2
81.07046	19.8
83.08601	13.6
85.06514	1.8
89.06002	1.4
91.05463	8.3
93.07031	18.9
95.08598	34.7
97.10178	2.0
98.21163	5.7
100.07570	3.6
100.11242	41.7
105.06302	1.5
105.07013	30.7
107.08582	46.9
108.08934	1.6
109.06472	3.4
109.10139	10.3
110.06013	2.2
111.04404	3.1
111.08066	3.3
117.06966	3.3
119.08566	35.5
121.06493	1.6
121.10122	25.3
123.08070	4.3
123.11674	5.6
128.07066	2.4
131.08565	7.8
132.09338	1.9
133.10103	14.1
134.39362	1.7
135.07990	2.3
135.11667	18.7
143.08490	4.1
145.10106	32.2
147.08070	8.3
147.11667	100.0
149.13229	5.5
151.07576	1.8
157.10135	4.0
159.08063	2.4
159.11623	10.0
161.09624	1.8
161.13208	17.7
163.11133	3.6
163.14796	76.0
171.11647	4.0
173.13245	8.9
174.22701	1.8
175.11206	3.1
175.14813	21.6
177.09062	1.8
177.12556	1.6
177.16342	2.1
179.14442	1.5
181.15820	3.0
182.15392	15.0
185.13264	4.2
187.13138	1.9
187.14806	36.2
189.16350	7.6
191.14299	1.6
191.17906	18.1
193.15887	7.6
199.14810	3.9
201.16354	4.8
203.17966	4.1
205.15929	1.6
209.16505	8.7
210.14822	7.6
213.16356	5.3
215.17839	5.2
217.19545	1.8
226.19075	3.1
227.17815	2.6
231.17421	12.2
239.14986	1.9
239.17604	1.7
245.18996	2.2
247.16911	1.7
255.21005	3.0
257.22659	11.8
259.16766	2.2
273.22025	3.0
274.19281	2.1
275.23755	5.5
326.28076	2.6
336.47784	1.5
377.32059	2.2
411.32635	1.8
417.34988	5.1
435.32565	13.1
453.29611	36.8
453.35059	45.6
454.29498	3.3
454.35608	2.1
454.37595	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3356
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03915	5.0
55.01851	5.0
55.05505	23.8
57.03411	4.0
57.07051	9.4
59.04983	3.3
59.61322	2.0
59.73304	2.0
63.16192	2.2
65.03926	3.8
67.05494	49.3
67.95755	2.1
69.03402	5.8
69.07054	33.2
70.93320	2.6
70.93664	4.5
71.04967	8.0
79.05484	27.5
81.03391	10.7
81.07043	90.3
82.07383	3.3
83.04951	9.5
83.08608	21.2
85.02886	6.8
85.06517	6.3
91.05468	36.7
91.18559	2.1
93.06470	2.8
93.07035	51.3
94.07352	2.3
94.80742	1.9
95.04939	9.6
95.08591	77.8
97.02870	4.1
97.06503	9.3
97.10149	7.0
99.04449	3.4
99.08048	3.9
100.11297	2.5
103.05436	3.4
105.04513	2.1
105.07014	68.9
107.04933	3.8
107.08575	76.3
108.08907	2.8
109.02834	4.9
109.06492	11.5
109.10136	61.7
110.10519	2.2
111.08044	9.4
111.11711	4.4
115.05367	2.7
117.06989	15.9
119.08563	82.8
120.08882	3.9
121.06480	8.0
121.09307	4.1
121.10130	59.5
123.08052	9.2
123.11700	24.3
125.05962	3.1
125.09592	7.6
127.03905	5.2
127.11143	3.1
128.06224	3.3
129.06978	9.0
129.24467	2.1
129.60675	2.0
131.08542	53.9
133.06461	3.2
133.09099	3.3
133.10109	67.8
135.08060	11.5
135.11671	36.0
137.05937	5.9
137.09589	7.2
137.13225	8.1
139.07579	2.3
139.11113	3.3
141.06914	2.6
142.07713	2.8
143.08505	20.2
144.09317	3.7
145.10095	75.9
147.08026	3.8
147.11662	39.9
149.09592	6.8
149.13225	21.5
151.11145	11.2
153.09073	3.1
153.12772	2.8
155.08475	5.6
157.10098	19.1
158.10861	4.1
159.08040	3.1
159.11668	64.1
159.26903	2.4
161.09627	11.3
161.13231	32.2
163.11156	7.7
163.14815	24.5
165.09029	3.1
165.12715	4.5
169.08650	3.4
169.10077	8.5
170.10829	2.3
171.11653	17.3
172.12366	4.0
173.09615	3.9
173.11778	3.8
173.13214	36.7
174.13779	2.9
175.07625	4.1
175.11185	7.2
175.14784	54.6
176.15137	2.5
177.09079	2.3
177.12720	4.2
177.16350	28.8
179.14241	3.8
181.08377	2.1
181.10005	2.4
181.12303	2.0
182.10796	2.5
183.11630	8.3
184.12335	2.8
185.13232	19.8
186.14014	2.4
187.11108	6.0
187.14790	84.5
189.12686	7.8
189.16342	33.5
191.14304	7.3
191.17906	5.5
193.12184	5.0
193.15820	15.8
195.08398	2.6
195.10075	2.4
195.11761	3.1
197.13217	7.6
199.14795	22.8
201.12575	4.2
201.16351	100.0
201.18237	4.7
202.16632	4.0
203.14323	4.4
203.17958	20.0
205.12331	5.3
205.15849	55.1
205.19420	2.7
207.13625	2.5
207.17369	2.8
209.13194	3.2
211.13190	6.2
211.14934	3.0
213.16316	19.8
214.16975	3.5
215.14323	4.0
215.17918	16.0
217.15871	4.4
217.19391	2.7
219.13750	3.4
219.17415	14.6
221.15303	3.3
221.18993	3.2
223.14847	2.6
225.16385	3.1
227.17860	5.7
229.15906	3.7
229.19455	6.3
231.13770	4.7
231.17395	5.4
233.15289	8.3
233.18974	2.5
235.13130	2.8
235.16898	2.6
239.17926	4.2
241.19412	5.0
247.16934	3.5
253.19360	3.6
259.16898	8.0
259.20615	2.5
261.18573	4.3
267.20969	5.1
269.22482	2.9
289.25226	2.7
341.24780	3.0
377.24548	2.0
389.32050	7.3
399.25247	3.5
407.33173	47.7
408.33600	4.9
409.30182	2.5
417.26578	8.0
423.32397	9.8
429.36563	2.1
435.32867	43.0
436.32788	3.1
453.28033	28.4
453.33572	41.1
454.34192	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	453.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.05496	20.1
57.07055	7.5
59.05002	2.5
65.03953	2.7
67.05491	27.8
67.05820	2.8
69.03416	3.9
69.07062	25.9
70.14996	6.9
71.04990	2.4
71.08600	2.8
79.05473	20.9
81.03399	6.7
81.07044	66.5
83.04961	24.1
83.08602	14.9
85.02861	4.0
85.06503	2.5
91.05471	26.4
93.07024	45.7
95.04940	11.5
95.08594	96.1
97.10172	7.5
98.04373	2.1
105.07017	72.5
107.04934	2.7
107.08578	76.6
109.06492	7.1
109.10139	56.2
111.08051	7.2
117.07019	12.0
119.08560	100.0
120.08886	2.6
121.06470	2.8
121.10128	62.4
123.08054	9.2
123.11701	29.2
125.09603	12.2
129.07005	5.6
131.08556	42.0
131.09503	3.9
133.10114	66.9
135.08003	4.1
135.11662	29.4
137.05959	3.5
137.09616	7.7
137.13271	4.8
142.07819	2.2
143.08542	16.9
144.09325	5.6
145.10100	76.1
147.11667	47.1
149.09607	6.7
149.13225	22.5
151.07452	2.2
151.11179	8.8
153.09148	4.3
156.09369	4.6
157.10124	16.6
158.10941	3.0
159.11664	55.2
161.09576	5.6
161.13228	33.1
163.11195	5.5
163.14799	26.7
165.09052	3.5
165.12694	3.1
167.10707	2.1
169.10181	5.8
171.11688	9.3
173.13243	34.4
175.11186	2.7
175.14792	45.9
177.12782	3.5
177.16368	37.3
179.10611	3.0
183.11644	3.0
184.12428	3.2
185.13174	10.3
187.14803	72.4
189.12721	4.6
189.16353	73.2
191.14297	21.8
191.17909	23.8
193.15860	4.4
197.13327	3.0
197.60568	2.0
199.14761	15.4
201.12727	3.0
201.16339	66.3
202.16808	2.3
203.14345	7.0
203.17926	59.8
205.15852	80.0
205.19458	5.8
207.17397	6.3
211.14859	3.3
213.16391	25.8
215.17932	27.9
217.15874	13.4
217.19489	11.9
219.17415	33.1
225.16368	2.4
227.17917	8.0
229.15765	3.6
229.19466	4.1
231.17491	7.1
231.21048	2.7
233.18956	4.5
235.16940	10.0
239.17957	2.4
241.19530	10.4
243.21004	5.6
245.22612	4.2
247.16971	6.2
249.18431	4.2
255.21046	5.4
257.22638	3.9
261.18582	6.9
267.21158	7.4
333.25510	2.2
379.33508	4.8
389.32114	12.8
391.33459	3.2
407.27695	4.0
407.33023	64.7
408.33493	2.8
409.34689	16.0
423.32492	6.2
425.34134	6.6
435.32791	14.7
436.32852	2.6
453.33792	50.4
454.34506	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	453.3358
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.46199	0.5
53.03931	0.7
55.05505	3.2
57.07058	1.1
67.05491	4.8
69.03410	0.7
69.07062	4.8
69.64063	3.3
69.64487	1.0
71.04978	1.2
77.25153	0.5
79.05479	3.2
81.07050	9.7
83.04976	1.2
83.08610	3.5
83.60577	0.4
85.06496	0.9
91.05450	3.4
93.07030	7.9
95.04960	1.7
95.08592	13.8
96.36264	0.5
96.48549	0.5
97.06499	0.9
97.10151	1.4
99.08073	1.3
100.11234	1.7
105.07015	9.9
107.04982	0.6
107.08582	12.2
109.06486	0.9
109.10146	9.0
111.04415	0.7
111.31254	0.5
113.09656	0.5
117.07030	0.9
119.08562	14.8
121.06435	0.6
121.10127	11.5
123.08086	1.3
123.11698	4.8
125.05947	0.7
125.09630	1.0
127.11182	0.6
129.07022	1.4
131.08540	3.7
133.10100	8.7
135.08037	1.4
135.11676	7.6
137.09615	0.8
137.13252	1.6
139.07471	0.6
142.07726	0.5
143.08499	2.4
145.10107	7.5
147.08099	0.5
147.11656	7.2
149.09557	0.6
149.13235	4.7
151.11264	0.6
151.14732	0.6
155.08548	1.0
156.09285	0.8
157.10129	3.2
158.10870	0.7
159.08018	0.6
159.11667	5.5
161.09579	2.4
161.13229	5.5
163.11151	0.9
163.14790	2.3
169.10089	1.5
171.11705	4.1
173.09586	1.6
173.13264	4.9
175.11142	1.6
175.14789	10.6
177.12753	0.7
177.16408	3.4
179.14375	0.6
183.11674	2.2
185.13167	3.4
187.11118	1.0
187.14798	6.8
189.12758	0.8
189.16342	9.7
190.16669	0.7
191.14293	0.8
191.17921	2.1
195.11610	0.6
197.13268	2.9
199.14784	3.0
201.12727	1.2
201.16364	5.9
203.14265	1.6
203.17950	2.3
205.15874	2.3
206.45857	0.6
207.17426	1.6
209.13173	1.0
209.84995	0.5
211.14775	1.7
213.12750	0.7
213.16382	2.9
215.14311	2.0
215.17934	2.6
217.15845	2.1
217.19365	0.6
219.13860	0.6
219.17393	9.5
221.15384	1.0
225.12669	0.9
225.16342	1.1
227.14293	0.9
227.17932	1.6
229.15933	1.2
229.19524	1.1
231.17490	1.5
233.15251	1.4
233.18964	1.0
235.16953	1.7
237.16441	1.4
239.17882	2.0
241.19493	1.5
245.15414	0.9
247.16817	1.1
249.14690	0.8
251.17982	0.8
253.19592	1.2
255.21179	0.8
257.19043	1.0
267.20947	0.8
269.22400	0.7
271.20569	1.6
279.21216	0.6
281.18918	1.2
285.18677	0.7
285.21863	0.6
287.19913	0.6
295.20313	0.7
299.20032	4.3
301.21603	1.0
305.22580	0.5
313.21658	1.2
321.25916	0.7
325.21332	0.7
327.23044	0.7
333.25604	0.7
339.23077	0.6
347.27557	0.8
389.32129	3.3
399.30310	0.6
407.33051	7.0
408.33157	0.6
417.31335	0.9
425.34024	1.1
435.26581	1.2
435.32489	20.8
436.33115	1.7
453.33575	100.0
454.33862	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	453.3355
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03925	2.6
55.05495	15.7
56.96270	1.5
57.03409	2.2
57.07058	6.6
65.03938	1.4
67.05494	31.7
69.03433	2.1
69.06718	1.6
69.07059	20.1
70.35786	6.4
71.04978	4.4
79.05479	19.6
81.03403	6.0
81.07043	65.4
83.04985	3.2
83.08611	11.0
85.02883	3.4
85.06546	4.5
86.14927	1.6
91.05464	21.4
93.07029	34.0
94.07385	1.6
95.04948	7.1
95.08595	59.4
95.61106	1.7
97.06513	3.0
97.10162	4.0
99.08042	1.9
100.91374	1.3
105.07011	64.8
107.05012	1.6
107.08579	48.7
109.06512	4.5
109.10144	29.7
109.61053	1.4
111.04441	1.6
111.08062	6.8
111.11747	1.5
117.07004	10.7
119.08557	69.2
120.08848	1.4
121.10122	36.0
123.08063	5.4
123.11697	15.8
125.09597	4.1
128.06232	1.8
129.06964	7.1
131.08556	27.3
133.10106	41.8
133.11070	2.6
135.08051	2.2
135.11668	32.1
137.09605	3.3
137.13251	10.8
141.06920	1.8
142.07782	4.3
143.08542	11.1
144.09326	5.2
145.10097	43.0
147.11664	39.4
149.09663	2.5
149.13246	20.2
151.11211	2.7
153.09079	2.7
155.08542	2.2
157.10120	22.6
158.10866	2.9
159.11668	69.6
160.12245	2.4
161.09631	1.9
161.13235	43.2
161.65565	1.4
162.13579	1.8
163.11145	2.5
163.14790	11.6
165.09079	1.7
165.12709	11.0
169.10080	7.0
170.10904	2.4
171.11659	15.8
172.12392	2.1
173.13243	19.2
174.13751	1.7
175.11197	2.7
175.14806	23.8
177.16364	20.9
179.10786	2.4
179.14157	2.1
183.11697	4.3
185.13182	10.3
186.14221	1.4
187.11127	1.5
187.14781	34.8
188.15320	2.2
189.12796	2.8
189.16342	45.6
191.17937	6.1
193.12251	5.5
193.15918	2.8
195.11749	1.8
197.13263	6.0
199.11324	1.9
199.14790	20.7
201.16344	43.3
202.16589	1.5
203.10403	1.5
203.17923	33.4
205.15822	10.8
207.17442	2.9
211.13268	5.7
211.14851	5.0
213.16364	14.5
215.14360	2.2
215.17929	10.3
217.12344	2.5
217.15849	32.0
217.19418	3.9
219.17415	49.2
221.15454	1.7
221.18867	2.7
223.14804	2.6
225.16396	4.2
227.17917	7.2
229.16020	2.0
229.19571	3.1
231.17453	7.2
233.15367	3.7
233.19086	4.1
237.16466	2.0
239.17979	6.3
241.19563	6.6
243.21158	2.9
245.18994	3.1
247.16942	4.3
249.18510	4.5
253.19484	8.1
255.21169	3.5
257.18915	1.8
259.17072	3.1
259.20432	1.9
261.18555	4.1
265.19550	1.9
267.15875	1.8
271.20871	1.9
273.18549	3.4
275.16440	1.7
283.24121	3.2
285.18570	2.4
287.20007	3.6
289.21573	2.4
299.20065	2.3
329.24734	2.5
333.25977	1.6
349.28854	5.1
377.32056	2.2
389.32004	6.5
395.29352	6.1
407.33038	39.0
408.33499	3.0
423.32568	16.6
435.27463	2.8
435.32587	29.9
436.33188	2.6
453.28430	12.0
453.33716	100.0
454.28668	1.8
454.34167	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	453.3355
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
55.05499	9.4
57.03413	1.9
57.07055	2.9
59.04977	1.3
67.05488	16.8
69.03413	2.1
69.07052	9.6
79.05478	13.1
81.03383	3.1
81.07040	42.7
82.07360	1.2
83.04969	9.0
83.08602	6.3
85.02899	1.5
85.06496	2.1
91.05453	17.1
93.06464	2.0
93.07032	28.3
95.04953	6.0
95.08591	38.1
97.06514	2.3
97.10149	2.8
98.21528	2.2
104.76711	1.1
105.07008	34.2
107.08573	44.6
109.06496	4.1
109.10136	28.5
111.08060	5.1
117.06988	5.1
119.08561	32.8
121.06516	2.0
121.10120	43.1
123.08022	3.1
123.11687	13.4
125.09598	7.9
129.06955	2.8
130.07782	1.4
131.08548	18.5
133.09094	2.0
133.10103	39.5
134.10516	1.9
135.08041	2.3
135.11658	18.2
137.09644	1.4
137.13177	3.2
139.11099	1.3
143.08559	5.4
144.09265	1.2
145.10098	26.7
147.11673	19.0
149.09537	1.9
149.13217	8.4
151.11151	7.0
151.14812	1.2
155.08531	1.4
156.09378	1.6
157.10120	6.8
158.10780	1.4
159.11676	23.8
161.13220	12.0
163.11096	2.2
163.14783	6.8
165.12779	2.0
171.11629	8.4
172.12357	1.7
173.13229	18.8
175.14777	24.9
175.63885	1.1
177.12793	1.4
177.16376	15.1
179.10847	1.1
179.94826	1.2
183.11664	2.3
185.13254	6.8
187.14783	20.6
188.15106	2.1
189.16353	11.5
191.14268	6.2
191.17894	2.3
193.12186	3.4
193.15880	3.2
197.13193	2.4
199.14784	13.5
201.14525	2.3
201.16347	28.9
203.17906	6.0
205.15880	3.4
211.13185	2.6
211.14922	2.3
213.16357	23.6
214.17064	5.6
215.17921	26.3
217.15901	1.3
217.19397	1.4
219.17378	8.3
225.16330	1.3
227.17844	1.9
229.16093	1.5
229.19496	2.0
231.17393	1.6
233.19034	1.4
239.17976	2.2
241.19443	5.8
243.20996	5.6
253.19501	2.1
255.20955	6.6
257.19016	1.5
257.22464	1.7
259.16870	1.9
259.87015	1.2
261.26154	1.2
267.21039	6.0
269.22586	1.9
281.22644	1.4
342.36206	1.2
389.32166	6.4
395.29361	2.0
407.33017	100.0
408.33197	6.5
409.34592	1.5
435.27335	1.4
435.32703	7.6
450.00705	1.2
453.28360	8.6
453.33881	28.4
454.34033	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3357
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
55.05499	16.4
57.03423	2.5
57.07067	9.4
57.60365	1.4
59.04998	2.1
61.95475	1.5
62.06070	3.4
65.82266	1.6
67.05495	20.0
69.03421	3.8
69.04144	1.5
69.07054	28.3
70.33126	3.9
70.33512	3.6
71.04967	3.6
71.08619	3.7
77.03930	1.7
79.05470	13.9
79.05829	1.4
81.07044	49.9
83.04982	3.0
83.08602	10.3
85.06530	2.5
85.10191	2.3
91.05464	16.2
93.05769	1.6
93.06460	3.2
93.07032	36.2
95.04953	3.8
95.08590	67.7
95.16113	1.5
97.06517	5.7
97.10161	7.5
98.21388	1.9
99.08089	1.9
105.07017	52.5
107.08578	62.4
109.06496	7.0
109.10134	33.1
111.08072	3.2
115.05401	1.6
117.07008	6.3
119.08562	70.8
121.06474	3.6
121.10128	48.8
123.08052	9.0
123.11681	17.2
125.09620	5.0
125.87162	1.9
129.07002	3.9
131.08549	24.4
133.10104	54.0
133.11069	2.8
135.08047	4.3
135.11661	26.8
137.09627	4.8
137.13260	3.1
139.07542	2.0
139.11125	7.1
142.07744	1.9
143.08528	13.0
144.09337	2.0
145.10097	49.4
146.10515	1.8
147.08037	3.6
147.11659	26.6
149.09618	6.4
149.13234	20.5
151.11136	8.1
151.14864	2.4
155.08528	5.8
156.09456	2.1
157.10106	25.2
158.10887	3.8
159.11678	37.2
159.13007	2.0
161.09619	5.7
161.13226	26.2
161.14430	2.5
163.11191	7.5
163.14792	37.4
165.12743	22.1
167.10678	1.5
168.09303	1.7
169.10130	9.1
170.10930	2.1
171.11697	20.0
172.12355	2.3
173.09586	1.9
173.13234	49.2
173.14667	3.1
174.13606	1.6
175.11163	4.6
175.14798	55.7
177.09081	2.7
177.12781	5.8
177.16357	55.8
178.16792	2.2
179.14142	2.7
183.11636	10.9
184.12411	2.7
185.13219	17.5
186.13998	1.6
187.14796	58.6
188.15256	1.6
189.12764	3.6
189.16347	45.6
190.16670	1.7
191.14307	9.2
191.17987	7.4
193.15860	7.6
195.11815	2.3
197.13229	7.1
198.13998	2.5
199.11191	2.3
199.14790	31.2
199.16548	2.4
200.15297	2.1
201.12608	1.8
201.16359	41.3
201.18233	2.6
203.14313	6.9
203.17889	20.3
205.15883	7.3
205.19582	1.7
207.13988	1.8
207.17406	5.3
209.13322	3.3
211.14832	8.1
213.16356	44.7
213.18309	2.5
214.16901	2.7
215.14340	2.2
215.17902	27.7
216.18365	2.3
217.15819	12.8
217.19492	7.4
219.13892	2.2
219.17444	13.9
221.13405	2.1
221.15388	7.0
223.14827	4.4
225.16417	5.5
227.17973	7.9
229.15915	5.8
229.19528	5.9
231.17436	17.7
231.20940	2.9
233.18980	20.5
235.14876	2.0
235.16954	6.6
237.16229	2.5
239.17818	3.8
241.12527	1.7
241.19395	8.4
243.17403	7.5
243.21124	3.8
245.18909	3.0
247.16913	6.2
251.17949	3.4
253.19490	4.5
255.21030	11.4
257.22623	7.1
259.17007	2.8
261.18472	13.2
265.19489	2.0
267.20993	9.8
281.22470	3.2
282.27997	3.1
313.27438	8.3
319.24158	2.6
321.25537	1.9
333.25717	2.3
349.28903	3.1
365.24741	9.4
367.30103	2.5
379.26306	1.9
389.31958	16.1
390.32227	2.4
391.33649	4.1
392.57397	1.9
407.33023	88.6
408.33386	8.9
409.34613	25.4
410.34912	2.6
417.31451	11.5
418.31631	1.9
425.34055	4.7
435.27649	0.9
435.32489	81.7
436.32809	6.5
453.33630	100.0
454.33945	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	453.3356
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03941	2.9
55.01869	2.1
55.05500	21.0
55.74728	1.3
57.01419	1.4
57.03421	2.1
57.07064	5.7
60.86204	1.5
65.59459	1.6
67.05496	26.3
69.03419	2.5
69.07057	25.3
71.04980	3.6
79.05477	18.8
81.07046	57.4
81.54575	1.6
83.04968	19.6
83.08605	13.4
85.06524	2.3
91.05467	31.5
91.06003	2.5
93.07034	53.4
95.04957	14.1
95.08595	74.8
97.06500	2.6
97.10156	6.4
99.08080	4.4
103.05579	1.8
105.07018	71.1
107.08578	76.3
107.70499	1.8
109.06506	10.2
109.10139	48.0
111.08079	7.1
111.11729	2.2
115.05393	2.1
117.07011	9.6
119.08562	100.0
121.06521	2.9
121.10123	55.6
123.08053	7.6
123.11672	18.3
125.06004	1.9
125.09623	12.6
128.06230	3.0
129.06984	5.2
130.07764	3.6
131.08551	35.2
131.36540	1.6
133.10112	63.0
134.10457	2.3
135.08035	4.9
135.11667	27.6
136.12096	1.9
137.09633	6.1
137.13252	4.4
139.07512	2.4
142.07748	4.0
143.08549	14.7
144.09344	4.1
145.10101	64.3
147.08014	2.0
147.11665	43.9
149.09618	5.3
149.13228	20.8
151.11194	5.1
153.09123	2.2
155.08568	1.8
156.09283	1.9
157.10109	17.9
158.10910	4.2
159.11668	55.2
161.09702	3.5
161.13229	43.6
163.11232	5.0
163.14803	21.3
165.09123	2.4
165.12770	5.6
169.10178	5.5
170.10977	2.0
171.11661	15.8
172.12393	2.1
173.09648	1.7
173.13252	35.1
173.14670	2.9
175.11221	2.5
175.14796	31.0
176.15210	2.3
177.12776	4.3
177.16365	26.1
179.10728	3.0
179.14340	2.0
181.10213	2.3
183.11708	5.6
185.13254	10.8
187.13124	3.0
187.14795	58.7
189.12808	3.3
189.16354	63.8
190.16609	2.6
191.14281	10.5
191.17897	16.4
193.12198	2.4
193.15886	2.9
197.13321	3.4
199.14790	15.5
201.16354	74.0
202.16718	2.0
203.14325	5.0
203.17914	39.0
203.19699	2.3
205.15843	25.5
205.17549	2.3
207.17419	4.3
211.14868	4.3
213.16354	27.2
215.14505	1.8
215.17926	32.4
217.15855	17.1
217.19499	6.4
219.17406	33.9
221.15419	4.0
223.14825	2.8
225.16386	4.5
227.17993	6.1
229.19528	6.4
231.17506	6.7
231.21060	3.0
233.18977	5.2
235.16907	17.4
237.16505	3.1
239.18016	3.8
241.19545	8.7
243.20967	8.1
245.19078	2.6
247.16856	8.8
249.18584	5.6
253.19615	4.4
255.21094	3.9
257.19318	2.0
257.22678	2.9
259.16956	2.0
259.20700	1.8
261.18414	12.0
265.19620	2.5
267.21091	9.2
269.22653	2.7
281.22559	3.8
283.24152	2.0
293.22839	2.1
299.20181	2.9
335.27008	2.0
349.28973	2.1
389.32053	12.5
395.29581	5.9
407.33041	68.5
408.33563	2.7
409.34790	6.0
417.31760	3.5
435.27628	2.9
435.32724	26.9
453.33698	98.5
454.33987	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	453.3357
Annotation	Stellettin J
Peak:m/z	Relative Intensity
54.10243	2.2
55.05506	18.6
57.03429	6.6
57.07061	8.5
64.32741	2.2
65.03927	3.0
67.05493	61.4
67.66771	2.5
69.03428	3.5
69.07053	18.3
71.04984	11.2
79.05482	26.5
81.03414	21.3
81.07047	100.0
83.04962	10.8
83.08614	18.3
85.02902	13.4
85.06544	7.5
91.05473	29.0
93.07030	37.0
95.04964	12.7
95.08038	3.8
95.08598	45.0
97.06522	4.5
97.10143	4.6
105.07012	43.9
107.04937	4.1
107.08582	48.9
109.06515	6.9
109.10146	39.4
109.10866	1.8
111.08073	9.3
116.98399	2.1
117.07021	7.6
119.08565	55.0
121.06413	3.1
121.10130	35.8
122.77255	2.6
123.08057	4.3
123.11697	23.4
124.83942	2.1
125.09617	7.1
126.49335	2.1
127.11175	2.7
129.06976	8.3
131.08556	31.0
133.10114	51.5
134.10379	2.3
135.08025	3.3
135.11681	23.1
137.09572	6.5
137.13232	3.5
142.07741	3.3
143.08542	10.3
144.09247	3.9
145.10110	32.5
147.08022	2.5
147.11667	30.2
149.09621	5.3
149.13255	9.2
151.07462	3.4
151.11150	7.2
157.10077	17.8
158.10886	3.0
159.11684	43.2
160.12035	3.7
161.09561	3.6
161.13234	18.8
163.11156	5.1
163.14815	9.7
165.12787	3.4
169.10083	3.5
171.11670	12.8
172.12407	3.0
173.13206	21.1
175.11174	8.5
175.14796	36.8
177.16348	15.3
181.10083	2.8
183.11694	3.5
185.13293	11.0
187.13264	9.1
187.14815	33.6
189.16357	26.8
191.14253	5.6
191.17921	4.7
193.12180	21.3
193.15834	11.3
193.59804	2.7
197.13231	4.3
199.14777	16.1
201.01276	2.1
201.12814	3.2
201.16354	64.0
203.14114	2.5
203.17932	8.9
205.15851	35.1
211.13190	26.8
213.16333	16.8
215.17918	15.4
217.15909	3.7
219.17471	11.2
221.15410	3.0
227.17995	3.6
231.17439	5.3
233.15422	4.3
233.19009	2.6
239.17825	3.3
241.19478	6.4
243.15875	2.7
243.21150	3.3
245.15482	2.2
247.16927	2.7
251.17877	3.3
253.19455	4.0
255.17273	3.3
255.21138	3.7
259.16919	7.7
261.18436	4.5
267.15936	3.6
267.20953	2.7
279.20911	2.8
334.15137	2.5
389.31900	6.1
407.33057	45.2
409.34872	5.6
421.26352	2.5
423.32455	4.1
435.27417	3.9
435.32578	39.1
453.28381	56.6
453.33749	63.9
454.28629	5.5
454.34354	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3355
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.35447	1.6
54.58298	1.3
55.05499	11.4
57.07061	3.6
58.69608	1.6
59.38312	1.5
62.86695	1.8
64.45930	1.6
67.05505	15.4
69.07062	14.6
70.98444	1.3
71.04973	1.9
76.66008	1.3
79.05498	8.7
79.76218	1.6
81.07039	22.1
83.04971	1.8
83.08609	7.8
91.05473	13.5
93.07030	23.0
95.08592	36.2
97.10184	2.2
98.21584	3.8
99.08048	2.7
105.07009	27.2
107.08577	41.3
109.06511	3.7
109.10142	19.1
117.06994	6.0
119.08566	56.9
121.10124	38.5
123.08087	2.7
123.11715	8.2
125.09666	2.1
129.07005	1.8
130.07764	1.6
131.08553	19.0
133.10117	41.2
135.08046	3.5
135.11659	16.0
137.09563	3.0
137.13239	3.0
143.08536	6.9
144.09425	2.7
145.10106	47.9
147.11665	25.0
149.09601	2.9
149.13260	11.2
153.09079	2.2
155.14182	1.6
157.10101	8.5
158.10928	3.5
159.11665	32.2
161.13217	17.4
163.11197	11.5
163.14720	8.3
169.10069	3.4
171.11691	6.4
173.13228	24.3
175.11140	2.2
175.14804	23.9
177.12724	4.7
177.16353	25.9
183.11687	3.1
185.13258	5.4
186.13899	1.8
187.14798	49.0
189.12724	2.0
189.16362	46.0
191.14311	1.8
191.17999	5.1
197.13185	2.5
199.14815	9.5
201.16354	76.1
203.14192	2.1
203.17934	17.5
205.15849	100.0
206.16266	2.4
207.17427	6.2
211.15013	3.9
213.16318	11.0
215.14317	2.2
215.17960	5.3
219.17435	5.9
223.14859	2.0
223.16896	4.1
225.16373	3.2
227.17946	5.7
229.15817	2.1
229.19460	3.1
231.17522	2.4
241.19368	2.4
245.18977	2.7
247.16867	13.1
253.19305	2.2
267.20923	2.5
361.35300	1.6
389.31909	6.9
407.27701	2.5
407.33035	48.4
408.33395	4.2
417.31775	2.4
425.34021	2.5
435.27472	1.9
435.32700	16.5
435.72015	1.7
436.33099	1.9
453.33743	29.5
454.33670	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.2
55.05507	19.6
57.07054	4.6
60.25183	3.3
61.67549	3.2
67.05498	31.0
69.07044	19.8
74.01295	2.6
79.05474	22.3
79.95238	2.8
81.07049	69.6
83.04970	20.2
83.08612	12.0
91.05452	21.5
93.07033	51.6
95.04955	10.9
95.08592	82.8
97.06495	4.9
97.10166	7.6
105.07012	71.4
105.07669	4.7
107.08582	83.0
109.06528	6.5
109.10137	54.1
111.08067	7.5
113.03827	2.5
117.06989	10.4
119.08571	96.5
121.10134	61.2
123.08055	6.8
123.11707	29.0
124.83529	2.8
125.09615	12.7
129.06995	5.4
131.08562	32.9
133.10117	64.7
135.11699	29.6
143.08521	15.9
144.09320	5.6
145.10101	75.2
147.11667	43.8
149.09482	4.8
149.13248	20.8
151.11169	9.6
153.09050	6.3
157.10124	15.2
158.10909	5.5
159.11674	65.7
161.13226	32.8
163.14792	21.4
165.12738	3.2
169.10216	3.1
171.11678	12.8
173.13234	29.4
175.14809	38.2
177.16383	24.8
183.11682	4.8
185.13292	7.1
186.14124	4.2
186.48883	2.7
187.14798	69.0
189.16360	81.9
191.14215	18.0
191.17888	15.2
193.15837	3.1
199.14827	15.9
201.16347	100.0
202.16719	3.6
203.17909	30.5
205.15865	42.9
205.19460	3.1
207.17404	6.4
213.16370	33.2
215.14482	3.0
215.17902	37.9
216.18355	3.4
217.15874	16.9
217.19540	11.1
219.17407	56.8
227.17862	7.5
229.19429	4.6
229.49959	2.9
231.17477	7.8
233.19026	8.4
235.16867	28.1
239.17957	4.6
241.19498	10.6
243.20975	5.8
245.19159	3.2
247.16980	12.9
255.21100	10.1
261.18561	11.7
267.21051	12.2
281.22736	4.3
351.07785	2.8
389.32065	17.3
407.33087	85.5
408.33347	6.8
409.34576	9.8
435.32813	22.3
453.28415	4.6
453.33633	58.0
454.33942	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	453.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.5
55.01854	2.4
55.05494	8.0
57.03418	7.8
57.07043	1.7
59.04975	5.9
59.89352	1.7
61.02927	2.0
62.73272	2.0
67.05497	12.0
69.03423	15.8
69.07047	5.9
69.80163	11.0
70.06561	1.8
71.04980	37.4
73.06529	4.2
76.07635	2.5
77.18262	1.6
79.05482	10.8
81.03411	11.2
81.07050	20.7
83.04985	11.9
83.08584	5.0
85.02885	17.7
85.06529	15.3
91.05469	10.9
93.07021	25.2
95.01292	7.3
95.04944	16.2
95.08596	16.5
97.02872	9.7
97.06525	9.9
97.10156	7.0
99.04436	5.8
99.08075	5.1
101.06004	6.0
105.07010	22.6
107.04928	6.1
107.08575	25.9
109.02888	9.4
109.06469	4.0
109.10139	27.1
110.97356	1.8
111.08063	3.4
113.02354	7.3
113.06006	3.8
117.05467	2.3
117.06978	2.8
119.08543	11.0
121.02876	2.4
121.06516	2.7
121.10120	55.5
123.04404	3.0
123.08048	4.3
123.11663	6.5
124.07574	2.4
125.09612	42.1
127.03893	10.8
127.07528	6.0
127.11152	10.5
129.05444	8.1
131.07005	6.1
131.08501	6.4
131.97678	1.8
133.10109	67.6
135.11644	6.6
137.05922	4.1
137.09615	6.1
138.09154	1.8
139.11136	2.1
140.07022	2.6
141.09068	3.9
143.10651	100.0
145.04907	2.3
145.08588	19.4
145.10095	11.9
147.06482	2.5
147.11659	12.0
149.09596	2.2
149.13298	4.9
151.07539	2.6
151.11156	11.5
152.04576	2.2
153.01794	3.7
153.12752	2.7
155.06995	2.6
155.10602	2.2
159.11638	11.8
161.13261	5.9
167.06985	14.1
167.10570	2.3
175.14835	2.8
177.16345	2.4
179.07043	2.9
182.46710	1.9
187.07571	2.3
189.16356	21.5
193.08455	2.5
201.16368	13.4
205.08490	2.7
207.06458	3.3
207.17346	11.6
217.08566	4.3
219.17406	31.0
225.18315	2.9
237.18459	44.7
239.05455	3.8
255.19533	31.0
270.64838	2.1
273.12354	4.1
273.20645	12.2
291.13434	3.0
291.21573	5.0
303.13443	1.9
383.14746	5.8
399.23846	3.6
401.16003	3.4
453.18845	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1387
Annotation	Epicatechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03909	0.7
55.01864	2.2
57.03433	1.0
61.02906	1.2
64.83824	0.6
65.03915	0.8
67.05489	1.8
68.99757	0.9
69.03421	4.2
70.06577	0.9
71.04980	0.7
71.61517	1.2
73.02897	0.6
81.03398	1.9
83.04964	1.4
85.02893	7.8
85.06520	0.9
91.05472	1.1
95.01344	0.7
95.04962	2.8
97.02865	4.3
99.04395	1.3
109.02851	2.2
111.04438	2.6
113.02326	0.8
119.04922	3.6
121.02837	1.0
123.04417	53.0
124.04728	1.0
125.02340	0.7
125.05949	0.8
127.03887	4.3
127.07538	1.3
131.27492	0.8
135.04367	1.9
137.05940	1.4
139.03886	100.0
140.04250	1.6
140.07063	0.8
143.04898	1.9
145.04922	2.4
147.04393	17.9
151.03886	4.3
153.01833	2.2
153.05443	0.8
161.05988	5.3
163.03900	4.7
163.84727	0.6
165.05464	16.2
169.04959	2.4
177.05521	1.2
179.06981	1.7
181.04909	1.3
189.05438	1.9
205.04959	1.2
207.06516	5.9
217.05009	0.8
228.08672	0.8
229.04825	0.7
234.99142	1.0
247.05945	0.9
267.02853	1.9
273.07556	2.7
277.03546	1.7
291.08597	36.6
292.08853	1.8
295.02408	1.1
301.09195	1.5
307.02509	1.4
323.01752	5.7
325.03156	0.7
351.01181	4.1
363.01355	2.8
379.00754	11.1
380.01477	1.1
391.00708	1.7
407.00302	14.6
408.00589	2.0
421.66748	0.8
425.01276	1.9
434.99585	1.2
435.17929	0.9
453.00818	21.6
453.13821	1.3
453.19431	1.6
454.01282	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89611	0.1
52.23844	0.2
54.98126	0.1
55.05500	0.4
56.05022	0.4
57.03421	0.3
58.06611	0.4
59.07414	0.2
60.08156	6.1
67.05499	1.0
69.07056	0.5
71.07366	2.1
71.62993	0.3
79.05490	0.8
81.03407	0.3
81.07047	1.4
83.04984	0.2
83.08584	0.2
85.02906	0.2
86.09695	28.3
87.10036	0.3
88.40701	0.1
91.05473	0.3
93.07055	1.0
95.04948	0.2
95.08579	0.5
97.06541	0.3
98.98447	2.3
104.10732	3.2
105.07011	0.4
107.08576	0.8
109.02850	0.1
109.10148	0.2
111.54379	0.2
119.08577	0.4
121.10131	0.4
123.11685	0.5
124.99986	18.8
127.03941	0.2
133.10094	0.2
135.11658	0.5
137.05951	0.2
137.36501	0.1
143.01028	0.4
145.10103	0.2
147.11693	0.7
149.13263	0.3
157.10138	0.2
159.11702	0.2
163.11220	0.1
165.09085	0.2
167.07100	0.2
184.07314	100.0
185.07668	0.8
229.14294	1.1
255.15903	1.7
255.18715	0.2
255.19193	0.1
258.11020	0.2
269.17502	0.4
317.41861	0.1
355.17572	0.2
434.22937	1.5
434.28699	0.2
452.24017	6.4
453.17719	0.3
453.24319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.5
69.03403	1.4
69.87516	1.6
69.87939	1.3
70.06606	0.6
75.59806	0.4
81.03416	0.5
85.02893	1.8
87.04424	0.6
97.02855	0.8
98.97548	0.4
101.00927	0.5
112.07551	0.5
119.01923	1.9
127.03923	0.9
129.69324	0.4
131.01891	1.0
133.03435	0.9
135.05057	0.6
143.01875	1.2
145.03456	2.1
145.04974	1.0
147.05023	0.5
153.01816	0.5
155.01857	1.0
155.83923	0.5
157.03445	1.1
159.05066	0.8
161.02937	2.0
163.04536	1.1
169.03516	0.8
171.04974	1.2
173.02991	1.5
185.02980	1.0
187.04495	1.6
189.02530	0.7
189.06125	0.6
200.35558	0.4
201.06061	0.9
203.03949	0.8
205.05566	0.6
213.02502	0.8
213.06050	0.5
217.05637	0.7
221.05035	2.4
223.06691	0.6
231.03656	0.5
245.04993	1.1
247.06650	1.8
261.08350	0.6
265.07513	1.3
273.08182	0.5
277.07748	0.5
279.09280	1.1
281.62393	0.5
282.56537	0.5
291.09027	0.7
303.06033	0.5
307.08566	0.9
319.05206	0.8
319.08823	1.1
319.12396	1.8
321.10300	0.8
335.08466	0.6
337.09686	0.9
361.02444	1.9
435.09247	0.4
445.26172	0.5
453.13687	100.0
454.14075	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	452.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82376	0.3
55.01862	0.3
55.05496	1.1
55.05748	0.3
56.05022	0.5
57.03426	1.3
57.07103	0.3
58.06564	1.5
60.08154	14.7
67.05495	2.7
69.03424	3.5
69.07067	1.4
71.04985	1.0
71.07362	5.2
71.62449	0.6
79.05476	1.8
81.03403	0.6
81.07049	4.5
83.04966	0.5
83.08594	0.8
85.02892	3.0
85.06533	0.4
85.35880	0.3
86.09692	42.0
87.04446	2.0
87.10009	0.4
91.05487	1.4
93.07030	2.8
95.04939	0.6
95.08607	1.5
97.02876	2.3
97.06501	0.4
98.98456	2.7
99.04441	0.4
104.10726	100.0
105.07021	0.8
105.11067	0.9
107.08577	1.9
109.02865	0.5
109.06509	0.6
109.10137	1.1
111.08067	0.3
115.03911	3.2
119.08609	0.7
121.10120	1.2
123.11679	0.6
124.99982	23.6
126.00314	0.3
127.03894	0.8
131.08530	0.7
133.04947	3.7
133.06487	0.4
133.10086	0.5
135.11685	0.5
137.05959	0.4
137.09590	0.8
145.04947	0.5
145.10165	0.3
147.11644	0.5
149.13237	1.1
150.07603	0.6
159.11673	0.8
163.01535	0.6
167.07011	0.3
173.13132	0.4
177.12634	0.3
184.07307	80.7
185.07707	0.5
194.31998	0.3
194.63455	0.3
199.01726	0.3
199.03905	0.3
244.25468	0.4
258.10934	1.0
260.69879	0.4
269.17389	1.0
290.21237	0.3
309.13303	0.5
434.22876	6.1
450.52411	0.3
452.23990	41.0
453.24347	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
55.01867	5.1
55.05509	3.3
57.07070	15.4
60.86654	0.6
65.03928	0.6
67.05482	1.8
67.98475	0.5
69.03420	1.6
69.07058	6.1
69.31870	6.2
71.08624	12.6
79.05471	1.5
81.07049	4.1
83.08618	3.8
85.02897	0.9
85.10185	7.1
89.06001	0.6
91.05463	1.5
93.03356	1.7
93.07021	1.7
95.04961	1.3
95.08582	3.1
97.06508	1.3
97.10158	3.1
99.11722	1.1
105.06979	0.9
107.08588	2.5
109.06500	1.0
109.10133	1.9
111.04430	0.8
111.08047	1.3
111.11686	1.0
113.02364	2.0
117.06979	0.9
119.08585	1.4
121.06493	1.4
121.10085	1.5
123.04403	1.5
123.08005	1.0
123.11690	1.7
125.02335	100.0
125.05962	2.2
126.02672	1.3
127.03880	1.7
131.08524	1.4
133.10126	1.2
135.08031	1.0
135.11633	1.0
137.02298	2.4
139.03880	11.3
139.07457	1.0
143.03351	0.9
143.61615	0.6
145.10124	1.2
147.11644	1.3
149.02309	7.8
149.05945	0.9
149.09583	1.9
149.13203	0.7
151.07564	1.3
153.05444	3.2
153.09167	0.7
154.10893	0.6
155.03358	1.0
155.07031	0.7
159.11737	0.9
161.13234	0.7
163.07521	2.1
163.11151	1.1
165.09099	1.3
167.03387	19.2
167.07021	4.8
167.10759	0.6
173.04408	4.4
177.09091	2.0
181.04950	0.7
181.08574	6.5
185.04431	68.9
186.04745	1.4
191.10564	1.1
195.10089	4.6
199.05986	3.7
203.05418	0.7
209.08261	0.7
209.11693	3.1
213.07581	2.9
223.09702	1.0
223.13248	1.1
226.07080	3.0
227.09076	3.3
237.11217	0.9
237.14732	1.4
241.10663	5.9
251.16310	1.3
255.12244	5.6
265.14355	0.6
265.17865	1.1
269.13797	5.5
279.19492	1.2
283.15320	5.0
294.17404	0.6
297.16891	4.5
311.18491	7.1
321.24329	0.7
325.20023	7.3
339.21555	6.5
353.23138	4.0
367.24960	4.1
381.26279	3.8
391.31897	1.0
395.27887	4.6
405.33228	1.0
412.36569	0.6
433.32593	0.8
451.34131	44.8
452.34225	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01656	0.5
55.01867	5.4
55.05499	3.8
56.89305	0.5
57.07068	14.7
65.03922	0.7
67.05488	1.6
68.39854	0.5
69.03436	0.8
69.07053	5.2
70.75571	1.9
71.04977	0.7
71.08624	14.2
72.43305	0.5
73.45998	0.6
81.07040	3.1
83.08601	3.6
85.02899	1.3
85.10167	7.3
91.05474	1.0
92.53123	0.5
93.03378	0.7
93.07023	2.5
95.04958	0.9
95.08596	3.5
97.06513	1.4
97.10166	3.0
99.04446	1.0
99.10095	0.6
99.11704	1.5
105.07001	1.4
107.04888	0.6
107.08564	2.2
109.06487	1.3
109.10149	1.8
111.04441	0.5
111.08081	1.1
111.11696	1.1
113.02360	1.9
113.13264	1.0
119.08522	1.2
121.02857	0.7
121.06509	0.8
121.10114	1.7
123.04401	0.8
123.08015	1.2
125.02332	100.0
125.09615	0.9
126.02631	1.1
127.03891	1.9
131.08519	1.0
133.10086	1.2
135.11687	1.5
137.02350	1.7
137.09616	1.1
139.03876	9.5
139.07477	1.0
143.03371	1.3
145.10095	1.1
147.11668	1.0
149.02328	6.4
149.09619	1.3
149.13278	0.9
151.07552	0.7
151.11130	0.6
153.05458	3.8
153.09074	1.1
155.03383	1.2
159.11671	0.7
163.07507	1.8
163.11165	0.7
163.14760	1.0
167.03371	18.1
167.04718	1.1
167.07050	4.5
173.04427	4.4
177.09132	2.0
177.12729	0.6
177.16382	0.9
181.08597	4.9
185.04424	73.9
186.04768	1.2
191.10648	1.2
193.12273	1.0
195.06480	0.7
195.10158	4.3
199.05969	5.0
203.05559	0.7
203.84735	0.5
205.12175	0.8
209.08102	1.1
209.11713	1.9
213.07545	3.5
223.09874	0.7
223.13266	1.7
226.07161	3.2
227.09134	5.5
237.14815	1.4
241.10677	7.4
251.16312	1.4
255.00432	0.6
255.12234	7.0
265.17865	0.9
269.13815	5.3
279.15915	0.9
279.19501	0.6
283.15372	6.5
293.17557	0.9
293.20978	1.0
297.16956	6.6
311.18442	8.5
317.24997	0.7
325.20044	8.5
339.21646	7.5
353.23206	5.7
363.25525	0.8
367.24762	4.2
378.12073	0.6
381.26294	6.2
391.32156	1.4
395.27994	6.7
405.33704	1.1
433.32971	1.1
451.34131	59.4
452.34503	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3199
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
53.03926	1.6
54.23656	0.6
55.01877	0.6
55.05494	6.6
55.85771	0.6
57.03407	0.8
57.07072	1.1
61.81594	0.6
62.87412	0.6
62.89710	0.7
67.05496	10.9
68.73391	0.7
69.07053	9.1
71.04984	1.9
71.41513	0.6
79.05479	7.7
81.03392	1.3
81.07045	21.1
83.04988	1.4
83.08596	3.6
85.06511	2.0
91.05470	10.1
93.07037	14.1
95.04944	2.4
95.08589	18.4
97.06526	0.8
97.10170	2.7
105.07017	22.4
107.04967	0.9
107.08572	16.4
109.06519	2.7
109.10143	9.8
111.08062	1.4
117.06991	5.2
119.08559	27.8
121.06515	1.0
121.10126	12.2
123.08045	0.8
123.11705	2.5
125.09617	2.0
128.06207	1.6
129.07004	3.4
130.07765	1.3
131.08554	11.6
133.10107	14.6
135.08037	1.6
135.11684	6.4
137.09569	0.9
139.07582	1.3
139.11186	0.8
141.06981	2.1
142.07767	4.9
143.08531	10.9
144.09288	2.2
145.10100	19.4
147.11681	9.8
149.09602	1.5
149.13240	3.5
151.07576	1.0
153.09157	1.5
154.07782	1.6
155.08545	7.7
156.09332	3.4
157.10109	18.6
158.10869	2.3
159.07988	1.0
159.11676	15.7
161.09604	0.7
161.13231	8.4
163.11110	1.8
163.14780	5.0
165.06998	1.1
167.08582	2.7
168.09315	2.6
169.10103	18.0
170.10927	3.5
171.11664	13.5
173.09622	1.5
173.13234	12.3
175.11272	1.3
175.14793	31.9
177.16367	10.4
179.08572	0.7
180.09308	1.0
181.10086	5.1
182.10941	4.4
183.11665	13.1
184.12489	1.9
185.13223	9.4
187.11169	1.0
187.14795	8.5
189.16351	5.9
191.14261	0.8
193.10139	1.7
193.15886	1.7
194.10954	1.5
195.11655	6.5
196.12442	6.3
197.13228	11.2
198.13976	1.2
199.14790	16.6
199.16576	1.1
201.12747	1.0
201.16368	5.2
203.14287	1.6
203.18016	3.0
205.12201	0.8
205.15753	1.0
207.11717	3.2
207.13652	1.1
208.12393	1.1
209.13229	7.2
210.14005	1.1
211.14801	26.4
212.15544	1.1
213.12833	0.9
213.16328	11.3
215.14310	2.0
215.17981	2.1
217.15903	2.8
219.11731	1.0
221.13258	2.3
221.15289	1.5
222.14061	1.0
223.14807	4.0
223.16811	1.0
224.15590	1.3
225.16331	6.8
227.14478	0.9
227.17964	2.4
229.15834	7.0
229.19496	1.2
229.39551	0.8
231.17407	4.7
233.13251	1.6
235.14859	2.2
237.16348	3.2
239.14394	1.0
239.17896	3.3
241.19510	0.8
243.17465	1.9
247.14862	2.2
249.16289	4.0
249.18594	0.8
251.17894	2.2
257.15356	0.9
257.19168	0.9
259.17032	0.8
261.16467	1.9
263.17978	3.0
264.18716	1.0
265.19537	1.9
275.17706	1.4
277.19531	2.4
279.21179	2.0
281.22656	0.8
289.19461	1.1
291.21088	2.0
303.21127	1.1
305.22693	2.7
317.22617	2.5
319.24277	2.3
321.25742	4.0
323.20187	0.8
331.23975	3.9
333.25986	1.5
341.20779	0.9
345.25784	2.0
347.27396	1.8
351.23242	2.2
359.22177	2.1
363.23212	0.9
365.24579	3.6
366.25485	3.3
367.26129	1.6
377.24860	4.7
379.26297	1.5
387.30417	7.2
391.26489	0.8
393.27786	2.4
405.31522	15.2
406.31955	1.1
418.28635	1.0
421.31216	4.9
423.32632	2.6
433.30988	49.2
434.31406	2.7
451.32065	100.0
452.32141	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	451.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
53.37366	0.3
55.01870	0.5
55.05502	1.2
56.12970	0.3
57.03416	0.8
57.07056	0.5
65.03916	0.4
67.05502	2.6
69.03417	1.9
69.07056	1.8
70.16032	0.8
70.16441	1.2
71.04960	0.4
73.02890	0.5
79.05473	1.8
81.03400	1.0
81.07044	5.6
83.04981	0.6
83.08618	0.6
85.02888	2.6
85.06509	1.1
91.05475	2.7
93.07021	3.0
94.06564	0.4
95.04942	1.2
95.08603	4.4
96.08092	0.8
97.02883	1.5
97.06532	0.6
97.10165	0.6
98.20809	0.4
99.04442	0.5
99.48662	0.4
104.04946	0.4
105.07002	2.7
106.06521	1.3
107.04937	0.4
107.08591	3.2
108.08038	0.3
109.02837	0.9
109.06483	0.9
109.10138	3.4
111.08026	0.6
111.11705	0.6
118.06500	2.2
119.07281	0.8
119.08571	2.6
120.08083	9.9
121.06490	0.6
121.10129	2.2
122.09663	0.5
123.08075	0.5
123.11690	1.2
124.07560	5.4
125.09586	0.8
126.09135	0.8
127.03877	1.2
131.08505	0.8
133.09244	0.4
133.10097	2.1
134.05986	4.5
135.08032	0.5
135.11681	1.2
136.07579	2.0
137.05981	1.8
137.09570	1.1
137.13245	0.9
138.05453	0.9
138.09056	0.4
139.11234	0.4
140.14363	0.3
143.08490	0.6
145.10094	1.1
146.05923	1.8
147.06760	2.3
147.11678	1.3
148.07555	9.4
149.13255	0.8
150.09154	0.9
150.23758	0.3
151.07550	0.7
152.07011	0.7
153.09131	0.3
154.12161	0.4
157.10149	0.5
159.11647	1.1
161.09575	0.7
161.13213	0.9
163.13539	0.3
163.14801	1.7
164.07039	49.0
165.07430	2.0
165.08986	0.5
165.12694	0.6
166.08609	1.8
167.07001	0.6
173.13237	0.5
179.10631	0.3
181.04892	0.5
181.08556	0.4
183.13783	0.6
183.82979	0.3
187.14784	0.7
191.17879	0.4
200.10672	0.8
201.16319	0.4
202.12213	0.4
214.10971	0.8
215.15413	1.5
216.10211	1.5
226.12224	0.6
228.10156	0.5
229.13326	1.2
243.14880	5.7
245.16470	3.6
253.13403	1.3
254.11719	0.7
271.14368	19.7
271.24142	0.4
272.14737	1.0
289.15414	100.0
290.15710	4.9
319.06931	0.5
339.72818	0.4
378.00473	0.4
433.29459	1.6
451.21078	3.3
451.30807	1.5
452.20465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.6
53.03929	0.8
55.05486	0.7
57.03412	0.6
58.32883	0.3
58.91284	0.3
60.04518	0.4
61.02919	0.5
62.75566	0.3
69.03419	3.3
71.04974	1.1
71.36994	0.7
73.02885	0.6
75.25770	0.4
79.01827	2.4
81.03415	4.3
81.04533	0.6
81.07031	1.0
82.95068	0.3
83.04963	1.1
83.50563	0.4
85.02899	5.1
95.06078	0.6
97.02880	2.8
98.97585	0.6
99.04430	1.0
101.06001	2.1
107.01302	1.4
109.02869	4.7
111.05537	1.6
118.98251	0.3
119.07030	0.5
123.05520	1.5
125.02327	3.1
127.03902	7.8
137.08072	1.6
141.06572	3.7
143.03375	4.9
153.01808	100.0
154.02171	1.6
171.02867	11.0
221.12683	0.5
239.13905	1.1
241.15515	1.0
271.08075	0.5
271.16492	4.1
279.05008	0.9
289.17551	1.3
297.06009	4.5
303.81110	0.3
315.07047	16.9
326.65613	0.3
339.09140	0.4
433.21533	1.7
451.18127	0.6
451.23013	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	451.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01849	0.4
55.05484	0.6
57.03424	0.4
60.33428	0.2
60.55564	0.2
61.02935	0.2
68.67883	0.2
69.03418	3.2
71.04982	0.8
71.36293	0.3
71.36661	0.5
73.02894	0.3
74.06049	0.4
76.04000	0.2
78.87478	0.2
79.01835	2.5
81.03410	4.5
83.04951	1.0
85.02888	5.1
86.03224	0.2
97.02882	3.6
98.97540	0.3
99.04452	0.7
101.05997	2.0
107.01329	1.7
107.42872	0.2
109.02863	3.7
119.07069	0.3
119.48524	0.2
123.04420	0.3
125.02342	3.6
127.03900	16.6
128.04132	0.3
137.02364	0.5
139.03946	0.4
143.03380	4.3
145.04977	1.3
147.04332	0.2
151.11206	0.3
153.01805	100.0
154.02145	1.9
157.95950	0.3
163.03845	0.4
171.02858	10.7
279.04987	0.7
297.06003	3.8
315.07047	16.0
316.07474	0.8
361.02100	0.2
432.69464	0.3
451.17584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.0
55.01855	2.4
55.05508	4.3
56.50653	1.7
57.07049	2.3
59.04997	2.2
65.03909	1.7
67.05504	12.4
69.03426	2.8
69.07047	7.8
69.85226	8.8
71.04979	25.2
73.02835	1.7
77.96331	1.7
79.05473	8.1
81.03431	3.5
81.07047	25.7
83.04977	4.6
83.08610	3.6
85.02885	5.9
85.06528	2.1
86.09695	2.5
89.06039	2.9
91.05486	9.5
93.07030	18.5
95.04958	17.0
95.08591	11.4
97.02889	3.4
97.06492	5.2
98.20766	2.0
105.07001	16.0
107.08579	43.4
109.02884	2.7
109.06496	7.1
109.10140	29.5
110.06027	1.6
111.08069	18.2
119.05000	2.0
119.08557	18.7
121.06494	4.4
121.10129	13.7
123.08050	3.4
123.11687	4.3
125.05955	2.0
125.09619	23.4
127.03947	3.8
127.07520	1.9
127.11166	5.2
131.08549	8.0
133.10115	11.1
135.11659	19.3
137.05957	5.8
143.08536	2.4
145.10097	15.7
147.08057	4.3
147.11674	42.9
149.09555	4.3
149.13252	2.6
153.01791	2.6
153.12727	20.7
157.10109	6.7
159.11664	7.1
159.95027	2.0
161.13121	4.1
165.09065	2.0
165.12711	8.0
167.07048	2.1
171.11668	1.8
173.13278	3.1
175.11197	5.1
175.14813	5.3
179.10674	2.5
184.07343	3.0
189.16345	17.3
191.17920	4.9
193.15781	2.1
199.14845	2.3
207.17532	2.8
211.13304	2.0
217.12239	4.9
217.15863	29.0
225.07545	1.9
229.14592	2.2
235.13200	6.1
235.16887	46.9
253.14334	7.1
253.17960	100.0
254.18404	1.9
271.15320	1.7
271.18976	2.8
287.05496	4.9
288.05862	5.6
451.10135	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	450.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22930	0.3
53.03926	1.0
55.01852	1.6
57.03419	2.5
59.04976	0.5
60.04514	0.6
61.02905	1.2
62.01933	0.4
65.03928	0.5
65.25683	0.3
67.05470	1.4
69.03070	0.6
69.03416	10.3
69.07046	1.0
69.59463	3.2
70.06579	0.5
71.04980	1.0
73.02888	1.6
79.05470	0.8
81.03398	2.6
81.07026	0.8
82.97926	0.4
83.04958	0.7
84.04491	0.5
85.02418	0.7
85.02893	10.2
87.04457	5.9
89.06007	0.7
91.05472	1.2
92.59884	0.4
93.07024	1.8
94.06509	0.4
95.04920	1.2
95.07338	0.6
95.08591	6.8
96.08119	0.7
97.02876	8.6
97.06522	0.4
97.08769	0.4
99.04434	1.0
101.02361	0.4
105.07024	0.5
106.02877	0.5
107.04922	1.3
107.08575	0.5
109.02853	4.2
109.06468	0.5
109.10181	0.4
110.06021	1.9
110.09660	3.6
111.04431	0.6
112.07566	1.3
113.05963	0.5
115.03914	8.3
115.28305	0.4
117.06982	0.7
119.08556	0.6
120.08081	1.3
121.02850	1.3
121.06480	6.9
121.10090	0.5
122.03191	0.4
122.06000	0.6
123.04398	0.9
123.08053	0.4
124.03980	0.6
124.07565	6.1
125.02331	1.2
125.06009	0.4
127.03912	3.5
131.08546	0.5
133.04955	8.8
133.10066	0.7
135.04387	1.6
135.08096	0.5
136.07515	0.5
137.02301	0.5
137.05940	1.3
138.09117	45.4
139.09407	0.7
140.07146	0.5
143.03331	0.5
145.04953	2.6
145.06406	3.1
147.04393	0.5
148.07530	0.5
149.05952	1.5
150.07567	1.5
151.03867	1.8
151.07555	0.4
151.17331	0.4
152.04257	0.7
153.01801	6.1
154.02135	1.0
154.08621	1.2
154.64586	0.4
156.10196	1.3
159.07991	0.6
163.03931	0.5
163.06079	0.8
163.07524	1.7
165.05566	0.4
166.08607	100.0
167.07022	0.7
167.08951	1.7
168.06461	0.6
169.04953	0.5
175.07481	1.4
181.08578	0.5
182.08134	0.6
184.09663	9.5
187.07513	1.5
189.09113	0.8
205.08595	1.3
207.10228	0.7
209.15326	1.1
217.08649	2.1
225.11311	0.5
229.08638	0.8
235.09625	1.7
247.09647	0.8
259.07971	0.5
265.10657	0.7
268.08099	0.5
270.13272	1.2
271.11697	0.4
274.10797	0.5
288.05917	0.9
288.14401	0.6
292.11813	2.2
310.12753	5.4
328.14020	2.1
414.17352	1.0
450.16473	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	449.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85926	1.6
55.05499	6.8
57.07068	9.1
67.05489	3.4
69.07060	11.6
71.08614	6.6
71.63253	2.1
78.19566	1.6
81.07029	8.2
83.08613	8.4
85.10172	3.0
93.07019	2.0
95.08584	5.5
97.10153	5.9
99.83148	1.7
102.44893	1.5
105.03394	5.7
107.08614	2.3
109.10133	5.1
111.11719	2.9
125.13223	1.5
131.08589	2.2
133.02856	3.2
135.11668	2.4
149.13272	3.4
159.08112	2.1
167.07080	1.7
171.08078	4.0
179.08583	3.7
182.07309	2.2
187.07515	49.5
197.09618	2.7
199.07481	2.3
201.47348	1.6
210.06662	2.3
211.07507	13.4
211.11119	2.4
225.09076	100.0
226.09465	2.4
236.61630	1.4
238.09895	2.4
239.10721	4.5
253.12291	3.6
267.13858	4.8
275.61853	1.7
431.39206	2.4
449.34131	65.7
450.34265	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	449.3619
Annotation	Numersterol A
Peak:m/z	Relative Intensity
53.03957	3.9
55.05507	21.7
57.07069	28.1
62.03699	4.3
62.27665	3.6
67.05490	17.4
69.07065	37.4
71.08617	13.9
71.34222	10.1
79.05455	6.0
81.07055	33.4
83.04974	5.6
83.08600	17.2
84.31479	3.5
85.10145	7.9
91.05485	12.7
93.07027	14.9
95.04980	6.3
95.08589	26.0
97.10159	14.6
99.04427	19.9
105.06985	10.0
107.08567	9.9
109.06475	8.6
109.10129	8.7
111.04418	55.6
111.11701	9.2
113.05989	8.9
119.08518	6.6
123.04398	6.8
123.08027	7.3
125.05956	44.7
133.10077	6.4
135.04378	7.8
135.11671	4.3
137.05957	15.7
139.07512	5.4
140.92453	4.2
144.54088	4.2
147.11649	4.6
151.07585	6.4
153.05447	18.4
161.09709	4.8
163.07529	8.5
165.05461	23.5
165.09181	6.2
167.07031	5.2
171.06509	7.6
175.11188	5.4
183.06485	49.6
207.13783	4.4
225.05936	4.6
266.57855	4.3
301.28745	5.8
385.34424	14.5
389.33829	4.7
403.35663	68.9
413.34003	10.5
431.35086	69.7
449.36139	100.0
450.35727	5.6
461.86087	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3256
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
52.60193	2.8
53.03938	6.1
55.01868	4.9
55.05502	30.1
57.03423	8.8
57.07057	7.6
59.04996	4.1
61.55628	2.6
61.71088	3.0
67.05496	58.5
69.03429	5.6
69.07062	30.4
69.37503	30.0
69.86433	3.0
71.04985	5.2
77.20000	3.0
79.05485	43.8
81.03374	3.2
81.07047	69.1
83.04974	12.3
83.08601	16.7
85.06541	10.5
89.73448	3.1
91.05479	35.9
93.07034	72.5
95.04962	11.2
95.08601	82.7
97.06521	13.6
97.10155	7.0
98.20732	6.6
99.04426	10.3
99.08082	3.4
101.06015	11.6
105.07021	44.4
107.08579	76.7
109.06525	7.1
109.10128	36.1
111.08068	8.6
113.05947	3.6
117.07003	8.9
119.04922	6.8
119.08574	45.8
121.06515	5.1
121.10126	62.0
123.08054	9.3
123.11713	18.1
125.09631	10.7
129.06978	5.2
131.08578	26.6
133.10118	40.8
135.08058	9.4
135.11673	49.0
137.09616	7.3
137.13269	5.3
139.07526	6.6
143.08560	13.9
145.10103	41.1
147.04401	29.6
147.08018	4.8
147.11673	34.9
149.09608	9.1
149.13249	33.1
153.09073	4.4
157.10103	16.5
158.10919	4.6
159.11700	38.0
161.09589	6.2
161.13219	23.5
163.11166	17.3
163.14822	12.1
165.12704	3.5
167.10641	4.1
169.10052	6.6
170.11067	3.0
171.11729	14.4
173.09621	7.8
173.13222	20.4
175.11264	6.0
175.14781	19.0
177.12730	11.1
177.16412	7.2
179.10587	4.2
179.14287	5.5
181.12259	6.0
183.11702	6.3
185.13231	18.1
187.14812	10.6
189.12761	7.2
189.16331	21.9
191.10645	7.8
191.14285	5.6
191.17949	18.9
193.12198	6.2
195.13791	14.4
197.13272	9.1
199.14856	21.7
201.16368	45.4
203.14232	11.8
203.17915	5.6
205.12277	9.9
205.15840	3.4
207.13791	13.4
209.11729	9.3
209.15404	7.4
211.14835	8.5
213.16382	13.6
215.18077	3.6
217.19551	8.4
219.13710	3.6
221.15356	22.7
223.13048	4.7
225.16507	4.8
227.17944	5.7
229.15814	3.8
229.19498	4.6
233.15361	9.2
239.17998	5.4
241.14241	4.0
249.18501	44.8
253.19487	5.1
267.19440	7.1
273.18533	9.0
287.05396	8.9
291.19638	6.5
294.23328	3.8
317.21143	4.3
339.23120	4.4
357.23883	5.3
395.29434	82.1
396.29889	5.5
396.73444	3.5
413.30499	100.0
414.30743	8.5
431.31958	25.1
449.28363	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	449.3255
Annotation	2-Deoxyecdysone
Peak:m/z	Relative Intensity
53.03932	2.2
55.01871	3.6
55.05292	1.7
55.05503	16.0
57.03423	4.7
57.07061	3.7
59.04973	2.8
63.90396	1.6
65.82026	1.6
67.05495	28.0
69.03416	21.7
69.07052	18.6
71.04974	4.3
71.61896	2.7
74.09708	22.0
79.05479	19.4
79.13584	1.7
81.03396	2.7
81.07043	37.5
83.04949	12.3
83.08598	6.3
85.06546	8.4
91.05468	23.1
92.45811	2.0
93.07027	37.2
95.04952	6.6
95.08591	53.7
97.06524	14.2
97.10151	5.8
99.04427	4.5
101.05996	11.9
105.07009	28.5
107.07851	3.3
107.08574	47.5
109.06513	5.0
109.10141	24.0
111.08069	34.2
111.95861	1.8
117.07014	6.1
119.07774	3.0
119.08565	37.7
121.06492	3.7
121.09301	3.2
121.10128	47.0
123.08022	5.2
123.11674	7.4
125.05917	2.2
125.08743	3.1
125.09605	36.6
127.07542	6.7
127.11141	3.1
129.05444	4.7
129.06956	2.5
131.08528	10.2
133.10101	32.4
135.08031	6.8
135.11671	28.0
137.09642	3.9
139.07515	20.3
139.11153	43.4
143.08543	3.6
145.10118	32.4
147.08031	3.0
147.11670	25.5
149.09605	10.6
149.13239	17.5
150.13554	2.1
151.07454	2.4
151.11198	3.7
153.09120	5.5
156.09332	2.1
157.08769	2.3
157.10098	10.9
159.11670	31.2
160.38742	2.1
161.09573	3.6
161.13254	13.1
163.11143	9.0
163.14798	20.0
165.09082	2.7
165.12715	2.9
167.10645	18.3
169.10091	5.8
171.11633	8.7
173.09697	2.5
173.13226	13.4
175.11151	2.6
175.14778	7.9
177.09128	1.7
177.12782	9.3
181.12227	5.7
183.11638	4.6
185.11696	7.7
185.13240	7.7
187.11172	3.1
187.14815	19.3
189.06827	1.9
189.12796	3.5
189.16333	11.3
191.10645	2.3
191.17889	6.4
193.12160	3.5
195.10135	8.0
195.13736	4.0
197.13245	5.2
199.14845	8.2
201.16356	31.0
203.17918	71.6
205.12241	12.9
207.13689	3.5
207.17427	1.9
209.13269	2.6
211.14798	5.4
213.16348	14.3
215.14378	2.1
215.17914	4.8
219.13960	2.2
223.13210	14.4
225.14586	2.7
225.16429	5.2
227.17877	9.3
229.19531	4.5
233.15315	4.9
239.17992	3.3
241.14250	8.6
241.19519	3.1
247.16936	4.6
251.16437	5.0
253.19531	4.4
257.22620	3.0
265.17984	5.4
269.17477	7.4
269.22589	16.0
281.22668	4.4
283.19006	6.5
287.05383	4.3
287.23483	2.4
293.30939	1.8
299.20197	2.3
309.91687	1.9
325.21585	3.4
339.23099	3.0
357.24112	6.6
375.24982	2.3
377.28354	2.5
385.30978	13.7
389.26797	2.3
395.29428	31.9
396.29626	2.8
413.30505	100.0
414.30484	4.1
431.32114	21.6
433.29440	3.0
449.28119	24.8
450.30234	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3255
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
50.41488	3.7
50.49060	3.0
51.02375	3.9
53.03919	4.8
55.01858	5.6
55.05496	35.3
57.03423	8.9
57.07064	5.5
59.04974	3.6
64.57888	3.4
67.05162	6.7
67.05494	68.9
69.07055	35.0
71.04975	14.8
71.06983	9.9
79.05485	47.3
81.03368	7.7
81.07040	100.0
83.04957	15.1
83.08593	13.4
85.02866	5.2
85.06521	18.7
91.05453	48.1
93.07029	86.9
95.04955	18.4
95.08593	87.0
97.06508	14.6
97.10131	9.6
99.04436	7.1
99.78469	3.4
101.05989	7.5
105.07005	65.4
107.04951	5.6
107.08578	97.1
108.08904	5.1
109.02837	3.3
109.06509	15.6
109.10120	47.7
111.08061	11.1
115.05321	4.1
117.07010	15.2
119.08562	88.2
121.06490	12.8
121.10130	83.6
122.10452	6.2
123.08047	15.9
123.11694	13.7
125.09629	9.9
127.07561	4.3
129.07021	7.9
131.08557	31.7
133.10109	71.2
135.08049	15.1
135.11671	67.7
137.05850	4.3
137.09613	10.0
143.08557	15.4
145.10100	50.8
147.08008	4.5
147.11655	65.5
149.09607	14.6
149.13237	32.0
151.11176	4.3
153.09039	7.5
155.08496	4.6
156.09279	5.9
157.10066	27.7
159.11668	64.7
161.09596	9.2
161.13235	50.3
163.11179	15.6
163.14807	12.4
165.12721	8.8
167.10670	5.1
169.10106	7.2
170.10944	4.2
171.11674	20.3
173.09528	5.2
173.13210	37.5
175.11195	6.6
175.14799	27.4
177.12755	29.4
177.16367	17.6
179.14249	9.6
181.10226	3.6
181.12198	12.9
183.11673	7.3
184.12422	5.3
185.09637	4.3
185.13246	16.5
187.11148	6.6
187.14806	42.5
189.12721	11.2
189.16374	29.1
191.14235	10.7
193.12164	11.2
193.15828	4.8
195.12033	4.7
195.13754	20.3
197.13361	6.6
199.14807	17.8
201.12761	5.0
201.16396	11.4
203.14302	13.4
203.17874	8.9
205.15858	13.7
207.13760	14.1
207.17374	4.0
209.13322	6.1
209.15356	10.2
213.16318	24.6
215.18030	7.5
217.15771	16.5
219.13765	9.5
219.17484	5.3
221.15247	5.8
223.16969	5.1
231.17331	19.9
233.15413	4.4
235.16896	10.1
239.17978	4.5
241.15697	4.1
249.18500	7.0
259.16876	10.5
273.18240	3.7
287.05450	20.5
327.23346	3.8
339.23065	3.8
357.24149	12.4
367.30167	3.6
375.25116	4.9
377.28284	16.2
385.31009	9.9
395.29376	91.5
413.30472	84.3
431.31326	26.0
449.28473	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2889
Annotation	Xenortide B
Peak:m/z	Relative Intensity
53.03930	5.1
55.01858	8.2
55.05300	2.9
55.05503	32.6
57.03420	9.3
57.07055	6.3
65.03919	3.7
67.05495	66.5
68.05803	3.8
69.03415	5.5
69.07056	32.4
71.04977	14.2
71.61957	3.8
79.05483	56.9
81.03410	6.7
81.07049	87.6
83.04974	14.0
83.08600	20.4
85.02887	7.7
85.06510	11.9
91.05463	45.7
92.29982	3.0
93.07028	86.2
95.04968	23.2
95.08592	50.0
97.06522	14.6
97.10133	10.9
99.04416	11.2
99.08098	4.9
101.06012	7.2
105.06374	5.8
105.07021	80.9
106.07373	3.4
107.04919	6.3
107.08575	88.0
109.06490	16.2
109.10143	36.1
111.08064	10.6
117.07016	15.1
119.08569	100.0
120.08849	4.1
121.06464	15.6
121.10122	74.6
123.08047	16.5
123.11684	14.1
125.05970	4.3
125.09612	9.2
127.03810	3.2
128.06201	3.6
129.07056	6.7
131.00836	4.4
131.08530	31.1
133.06424	4.9
133.10117	60.2
135.08031	17.4
135.11678	57.4
137.05916	5.5
137.09578	12.5
137.13223	5.6
139.07489	4.5
141.06990	3.6
142.07697	4.8
143.08569	18.7
145.10095	62.2
147.08018	8.9
147.11659	83.1
149.09555	16.0
149.13239	25.9
151.07547	4.3
151.11131	3.6
153.09096	4.9
153.12798	4.2
155.08524	7.6
156.09239	4.4
157.10126	31.3
159.08029	8.5
159.11670	54.6
161.09602	17.9
161.13232	43.7
163.07471	4.2
163.11143	80.8
163.14845	8.1
165.09044	6.9
165.12744	21.3
169.10103	8.0
169.98756	3.8
171.11642	22.7
173.09618	11.1
173.13200	26.4
175.11156	22.4
175.14801	30.6
176.26573	3.5
177.09085	4.0
177.12778	27.8
179.10600	10.3
179.14296	3.7
181.10098	7.4
181.12215	14.6
183.11665	14.5
185.09569	4.3
185.13281	18.9
187.11137	11.4
187.14775	20.9
189.09038	4.7
189.11301	3.6
189.12682	19.1
189.16377	8.9
191.10658	10.4
191.14255	7.2
193.10709	3.4
193.12238	24.5
195.11842	6.2
195.13777	15.3
196.12485	4.0
197.13254	13.3
199.11180	5.5
199.14839	16.6
201.12747	6.8
201.16394	7.6
203.14311	13.7
203.17973	4.7
205.12195	21.2
207.11824	5.5
207.13722	32.1
209.13260	6.8
211.14885	10.2
213.12660	6.0
213.16411	12.7
215.14305	5.8
215.17877	4.3
217.12239	6.1
217.15720	5.7
219.13765	7.6
221.13428	4.2
221.15228	18.6
223.13017	21.0
223.15091	5.2
225.16342	5.3
227.14363	4.9
227.18025	4.6
229.15814	4.4
231.13771	11.7
233.15364	8.3
233.18855	3.1
235.16864	5.9
237.14645	15.6
241.15839	7.0
243.17331	4.6
249.14705	6.0
259.16995	6.0
287.05396	15.3
335.23633	6.6
339.23215	4.8
349.25253	12.1
353.24695	12.5
357.24258	14.6
367.26266	19.5
375.25549	3.6
377.24722	17.9
385.27448	7.0
395.25604	83.1
403.29965	8.1
413.26477	70.1
414.26984	4.6
431.27295	46.2
449.29163	89.4
450.29044	5.4
473.31631	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	449.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01055	0.7
53.03922	3.5
55.01612	0.7
55.01852	3.6
55.05504	18.3
57.03436	10.4
57.07050	2.9
59.04977	1.2
60.04523	4.3
61.36803	0.7
65.03910	2.2
67.05495	68.1
68.05819	0.9
69.03422	1.6
69.06720	1.4
69.07061	20.2
69.89833	5.2
70.06554	0.7
70.33195	0.7
71.01337	2.5
71.04980	7.1
74.06066	0.8
79.05484	48.4
80.05827	1.3
81.03421	6.6
81.07046	65.0
82.07377	1.4
83.04973	10.5
83.08137	0.9
83.08608	12.4
83.48915	0.7
85.02879	1.6
85.06523	5.7
85.08437	0.7
85.33079	0.8
91.05470	25.8
93.07030	64.5
95.04953	10.5
95.08595	21.6
96.08901	1.0
97.06522	13.4
97.10157	7.4
98.20764	0.8
99.04435	0.9
99.08099	3.7
105.07019	13.4
106.07355	0.9
107.04919	1.9
107.08578	37.5
108.08838	0.9
109.06494	3.3
109.10145	9.1
111.04339	0.8
111.08053	6.9
113.05951	1.0
113.09663	1.1
117.06995	8.8
119.08566	10.3
121.06487	2.6
121.10130	17.5
123.08044	2.9
123.11687	4.0
125.09595	2.5
127.11163	1.0
129.06987	2.0
130.07785	1.2
131.08565	7.8
133.10121	10.3
135.08035	2.5
135.11674	40.9
137.09579	1.6
137.31955	0.8
139.07512	1.3
139.11119	1.8
140.10661	4.8
141.11032	2.0
143.08540	2.2
145.10120	8.3
147.08058	0.8
147.11656	3.1
149.02307	1.7
149.09633	1.1
149.13239	23.8
151.11169	1.1
151.92694	0.7
153.12697	2.0
157.10095	2.2
158.11725	0.8
159.11661	11.1
161.13264	1.9
163.11192	7.0
169.10098	1.1
171.11652	2.0
173.13219	1.6
177.12717	6.0
181.12193	7.8
187.14819	1.2
189.16309	1.6
191.10544	0.9
193.04913	2.1
195.13765	11.1
199.13200	1.2
199.14807	1.0
207.13745	1.3
213.14806	1.9
237.14687	1.5
269.17450	1.0
287.05426	4.5
317.74713	0.9
339.23141	1.8
357.24258	4.2
375.25339	1.6
401.76801	0.8
413.34515	3.3
431.27237	6.3
431.35928	7.1
449.28937	100.0
450.29559	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	449.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31546	0.9
53.03932	3.3
53.87027	0.8
55.01865	4.7
55.05500	23.6
57.03428	13.7
57.07047	2.8
65.03922	3.6
65.79030	0.8
67.05492	80.3
68.05800	1.1
69.03402	1.2
69.07056	27.5
69.97112	1.7
69.97504	4.7
71.01339	4.3
71.04996	4.9
72.37119	0.8
73.02876	1.3
77.03873	0.9
79.05479	63.5
81.03400	5.8
81.07042	73.1
82.07342	1.1
83.04975	12.6
83.08594	13.8
85.06531	6.6
86.00478	0.8
91.05463	33.9
93.07026	82.4
94.07348	2.1
95.04958	11.4
95.08588	25.8
97.06518	18.6
97.10143	9.6
98.20802	1.4
99.04433	1.4
99.08078	4.2
105.04473	1.9
105.07011	12.3
107.04927	2.9
107.08575	53.5
109.06479	4.8
109.10140	11.2
111.08048	8.7
113.05966	0.9
113.09616	1.1
117.06987	11.7
119.04918	3.3
119.08557	16.9
121.06475	3.5
121.10124	27.0
123.08046	1.6
123.11674	2.6
125.09618	3.0
129.06941	2.6
131.08562	8.5
133.10117	14.6
135.08014	3.8
135.11665	49.5
136.11993	1.2
137.05891	0.9
137.09595	4.0
139.07468	1.4
139.11110	1.6
143.08522	1.2
144.09280	0.9
145.10097	13.3
147.04401	11.1
147.11656	6.5
149.09549	1.5
149.13232	27.6
151.11162	2.0
153.09039	1.3
153.12781	1.1
157.10120	1.5
159.11673	17.6
161.09616	1.7
161.13206	3.1
163.11156	6.5
165.05464	2.8
165.12776	1.5
167.14336	1.1
173.13222	2.2
175.11147	2.2
175.14737	2.0
177.12737	8.4
181.12213	9.7
185.13257	1.7
185.19363	0.9
187.14752	3.0
189.16371	7.9
193.12062	1.2
195.13766	11.6
199.13193	1.7
203.14322	1.1
205.15884	1.4
207.17413	2.6
213.14786	2.5
215.17949	4.9
223.16891	1.1
231.17427	1.8
233.18980	4.0
249.18494	13.1
251.16341	1.0
251.20036	2.5
267.19519	3.2
269.17310	1.4
275.23688	1.4
287.05438	3.2
357.24304	1.6
395.29538	2.4
413.30594	2.6
431.27319	1.7
431.32285	1.2
449.28882	100.0
450.29291	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	449.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28319	1.4
53.03930	2.5
55.01852	2.2
57.03411	3.3
61.02919	2.0
62.06083	2.0
67.05499	7.4
69.03410	10.8
69.07047	3.7
70.06564	5.5
71.04979	7.9
71.61800	3.3
73.02872	2.2
75.23653	1.4
79.05480	18.3
81.03407	7.0
81.07038	5.4
82.48656	1.7
83.04967	2.9
85.02892	10.4
85.06521	6.3
91.05463	5.8
93.07011	3.6
95.04957	6.2
95.08591	3.7
97.02873	7.0
97.06503	8.8
99.04431	3.3
99.08074	1.9
103.05439	7.2
105.03359	2.0
105.07000	6.4
106.03719	1.5
107.04939	46.9
107.08588	2.5
109.02855	5.5
109.06499	3.4
109.10199	1.4
112.07561	4.4
113.05997	2.0
115.05482	3.7
115.07533	2.8
117.06957	2.2
121.02883	3.3
121.06470	2.3
121.10158	2.5
123.04398	2.4
124.05152	1.9
125.02221	1.4
127.03862	7.9
127.07554	2.2
131.04901	3.9
133.06471	4.1
135.08038	15.6
137.05946	5.0
140.07054	2.4
143.03261	1.7
145.04898	2.3
145.07590	1.8
145.08580	7.2
147.04411	3.1
149.05983	3.2
149.09532	2.2
151.07521	2.2
153.01810	24.7
153.05464	2.1
154.06306	2.7
155.07042	2.0
163.07524	43.0
163.11139	1.7
165.05502	1.5
167.07016	100.0
168.07698	2.0
180.07785	4.0
181.04974	2.8
191.07054	3.5
193.08568	5.7
195.10121	33.9
211.09660	5.3
212.10364	4.1
213.11177	92.3
251.16249	2.5
269.13550	2.2
269.17456	2.0
284.11230	1.9
287.05463	29.8
287.14816	31.9
319.13779	2.8
375.13992	2.2
449.16043	42.2
449.21982	2.9
450.15985	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03189	0.4
52.10696	0.3
53.03953	1.2
55.01871	0.7
55.05515	0.5
57.03434	0.5
57.37424	0.3
65.03938	2.7
66.39626	0.3
67.05514	1.5
69.03409	3.0
69.07063	0.4
69.31909	0.3
69.37840	0.3
70.06606	1.2
71.05000	1.0
71.61562	0.5
79.01868	0.6
79.05497	1.2
81.03410	4.0
81.07047	0.8
83.04987	0.9
85.02888	4.2
85.07658	0.7
89.06004	0.3
91.05470	1.1
93.03396	1.8
93.07051	0.4
95.04964	1.3
97.02876	3.0
97.06517	0.5
99.04414	1.0
101.06020	1.0
105.03394	0.4
105.06992	0.4
107.04957	0.9
108.02096	1.4
109.02865	2.5
109.06498	0.5
110.03683	0.5
111.04428	4.1
112.07557	0.4
121.02863	1.4
121.06488	0.9
122.06042	0.9
123.04409	1.0
124.07548	0.9
125.02361	0.8
125.05978	3.2
127.03913	1.9
135.04402	0.4
135.08063	0.4
137.02316	0.9
137.05968	0.8
137.08037	0.6
138.09198	0.5
139.03893	0.4
140.07056	2.9
141.05443	2.1
143.03377	1.3
145.04887	0.7
146.05974	0.4
147.04395	0.5
148.07539	3.0
149.06068	0.4
151.03880	100.0
151.04912	4.3
152.04250	1.8
152.07077	0.6
153.01804	10.0
154.02113	0.5
156.10156	1.6
164.07047	0.8
167.06975	0.7
169.04938	8.5
183.06473	0.7
193.08482	0.5
203.12723	0.4
212.09285	0.3
213.09418	0.4
248.07335	0.6
269.12677	0.8
287.02634	0.4
287.05508	3.8
287.08682	0.4
287.10599	0.6
287.13763	2.7
295.08127	3.4
308.11151	0.8
313.09137	8.7
315.06860	0.6
318.15005	0.5
337.17242	0.4
389.14005	0.5
449.15851	13.0
450.16382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.68707	0.1
53.03922	0.4
53.50029	0.1
55.01860	0.5
57.03435	0.8
58.30521	0.1
59.04980	0.1
61.02915	1.5
62.47898	0.1
68.99789	0.5
69.03419	3.4
70.17477	0.5
71.04967	0.4
73.02908	0.7
79.05478	0.2
81.03408	1.9
83.01297	0.1
85.02891	9.7
86.76160	0.1
87.04441	0.4
91.03948	0.6
91.05489	0.1
97.02274	0.2
97.02880	3.1
99.04445	0.5
105.03367	0.3
107.04942	0.4
109.02859	1.2
111.00774	0.8
121.01978	0.2
121.02844	2.7
127.03894	1.7
129.07001	0.1
133.02821	0.5
135.04401	0.2
137.02290	0.7
141.07059	0.1
145.04927	1.7
145.06409	0.3
147.04388	0.5
153.01799	3.7
157.06490	0.4
165.01816	1.7
171.04399	0.2
183.02873	0.9
185.05908	0.5
189.05478	0.1
197.05919	0.1
203.06932	0.1
213.05421	1.3
231.06451	0.5
241.04887	1.0
258.05215	1.2
259.06018	0.5
269.04370	0.2
286.04745	0.1
287.05450	100.0
288.05780	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	449.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.6
61.02918	5.2
67.05475	0.2
68.99784	0.4
69.03412	0.8
69.07040	0.2
69.71860	0.8
69.72292	0.5
71.04965	0.4
73.02910	1.6
79.05471	0.4
81.03382	0.6
81.07034	0.4
85.02888	5.0
85.06527	0.3
91.03398	0.3
91.03938	4.2
91.05476	0.3
95.08587	0.3
96.52434	0.2
97.02874	2.6
97.06486	0.2
99.04437	0.5
105.03372	0.3
107.04935	0.5
109.02842	0.4
111.00780	0.6
115.05439	0.2
119.08601	0.3
121.02847	2.5
121.10085	0.2
124.07561	0.2
127.03904	1.3
133.02805	0.5
135.04382	0.2
137.02303	0.8
137.05968	0.3
145.04941	0.6
147.04410	0.5
151.03857	0.5
153.01805	3.8
157.06445	0.3
161.05959	0.2
165.01804	1.7
171.04327	0.2
183.02853	0.9
185.05925	0.7
203.06912	0.2
213.05391	1.2
231.06479	0.5
237.65884	0.2
241.04927	0.8
244.09515	0.4
257.00974	0.3
258.05243	0.9
259.05850	0.4
269.12549	0.2
269.17307	0.2
285.00290	0.4
287.05447	100.0
288.05765	3.9
302.00500	0.3
317.02927	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3831
Annotation	Nebrosteroid H
Peak:m/z	Relative Intensity
53.03930	2.5
53.56911	1.5
55.01854	2.0
55.05515	10.2
55.62284	1.8
57.07065	11.2
57.83376	1.9
65.03899	1.9
65.89683	1.4
67.05479	7.5
69.07053	20.5
69.56271	14.4
71.08628	9.0
79.05477	22.4
81.07044	18.0
83.08612	11.4
85.10159	4.5
91.05459	14.6
93.07023	11.3
95.08598	20.7
96.08895	2.6
97.10177	8.5
99.04438	2.3
105.07012	12.9
107.08578	100.0
108.08894	3.5
109.06492	6.3
109.10134	17.1
111.08065	10.7
111.11671	4.1
114.87820	1.6
119.08573	5.6
121.06538	2.9
121.10136	8.3
123.08062	1.9
123.11695	9.6
125.05956	1.9
125.09655	2.9
125.13211	2.8
131.08566	2.8
133.10095	3.5
135.08028	3.1
135.11684	5.7
137.05969	15.3
137.13208	3.3
139.03867	7.6
139.07513	11.7
145.10143	3.5
147.11661	4.4
149.09613	3.2
149.13237	8.9
151.07553	8.5
151.14825	2.0
153.05470	3.2
161.13239	2.1
163.14781	5.4
165.09120	12.8
166.09419	2.7
173.13191	2.7
175.14748	2.5
177.16315	2.4
181.04909	17.2
187.11153	2.0
191.10634	3.7
205.12183	3.9
219.13741	2.0
221.22583	1.9
233.22589	1.9
272.39532	1.7
329.90381	1.8
383.36783	3.0
401.38000	2.8
405.37280	1.8
411.36166	17.2
419.22220	3.9
429.37311	17.4
447.21936	11.1
447.37918	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	448.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33781	2.3
53.03933	5.9
55.01859	5.8
55.05494	6.3
57.03418	4.7
61.02917	4.1
67.05485	9.4
68.05802	2.6
69.03417	18.6
69.07062	19.3
70.91868	7.4
71.04990	15.4
73.02897	3.3
74.27563	2.0
75.04459	2.6
78.04685	2.0
79.05485	18.3
81.03399	5.6
81.07050	22.4
83.04971	15.4
85.02905	27.7
85.06522	6.0
86.06067	2.5
87.04465	3.1
91.05450	18.0
93.07030	48.7
95.04952	9.2
95.08598	11.1
97.02893	11.2
97.06517	30.9
99.04438	25.9
99.85728	1.9
101.05993	2.8
103.05428	3.0
105.07008	37.4
107.04964	11.9
107.08583	58.6
109.02826	2.7
109.06509	18.0
109.10144	3.8
111.04430	5.0
111.08086	2.2
113.05988	3.3
115.05433	2.9
115.07544	3.9
117.07011	9.5
119.04916	3.2
119.08552	17.6
121.06474	21.4
121.10130	32.5
123.08067	5.2
125.05974	36.0
127.03885	7.4
127.07532	8.7
129.05447	2.8
129.06969	2.6
131.08548	26.8
133.06436	5.2
133.10091	11.0
135.04413	4.0
135.08018	13.1
135.11670	14.5
137.05942	12.0
137.13202	2.5
139.07483	6.2
143.07021	66.9
143.08592	5.0
144.09366	4.0
145.04927	3.7
145.06488	6.6
145.10103	99.6
147.08015	3.4
147.11665	7.0
149.09601	2.7
151.07513	12.1
153.05447	5.1
153.09050	3.6
154.07738	2.6
155.07008	15.0
155.08295	2.5
157.10144	2.7
158.07278	3.0
159.08014	9.5
159.11650	28.5
161.05981	2.8
161.09641	6.4
161.13251	2.9
163.07501	5.9
163.11168	76.4
164.11452	3.0
167.07048	4.3
169.10124	7.7
172.08842	3.9
173.08092	4.5
173.09590	49.7
177.09088	7.0
177.12772	7.1
180.08656	6.3
181.12210	41.8
187.11166	57.2
187.14696	3.6
189.09114	3.0
189.12694	4.7
191.10654	64.0
197.09558	5.1
205.12212	87.7
205.15680	3.1
207.13831	4.7
209.11707	9.4
215.10661	46.4
215.14175	3.7
223.13345	10.2
233.11693	100.0
233.15070	10.5
251.12761	97.1
251.16478	17.9
269.13797	50.7
269.16800	4.8
274.57126	2.1
287.05432	15.0
303.05072	14.6
355.09232	2.2
357.11322	2.7
395.16989	2.9
413.18024	3.6
448.18408	9.6
454.82095	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3462
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
55.05487	1.5
55.92093	0.8
57.07072	8.2
58.00882	0.9
67.05474	3.5
69.07042	3.7
70.68819	1.8
70.69231	1.9
71.08617	4.4
71.74251	0.8
73.88322	0.8
79.05450	1.5
81.03382	1.1
81.07030	3.7
83.08591	2.1
85.10175	1.6
86.08363	0.9
91.05461	1.7
93.07014	2.2
95.01324	1.0
95.08585	4.2
97.10128	2.0
99.00800	6.7
99.04424	1.8
105.06997	2.3
107.08546	2.7
109.02819	1.0
109.06491	1.6
109.10129	2.8
113.02307	1.6
117.01835	1.9
119.08550	2.6
121.06483	1.3
121.10102	1.9
123.11639	1.5
125.05940	1.3
127.03853	1.1
131.08589	1.4
133.10100	1.7
135.08072	1.9
135.11664	0.9
137.05940	1.0
149.06001	1.1
149.13205	1.0
151.07524	1.2
153.05435	2.5
163.07513	2.2
171.11583	1.0
173.04395	1.0
175.14746	1.1
177.09032	1.3
181.04929	12.1
183.06511	1.3
191.10709	1.1
193.12125	1.0
195.06497	25.4
209.08054	16.0
223.09616	13.6
237.11188	11.1
251.12813	8.6
265.14331	3.8
278.91968	1.1
279.15967	1.9
293.17422	2.2
307.19067	1.5
321.20724	1.4
335.22073	1.7
447.34598	100.0
448.35065	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	447.3463
Annotation	9-hydroxycerevisterol
Peak:m/z	Relative Intensity
53.02830	0.8
54.14199	0.8
55.01771	0.8
55.05369	3.2
55.05667	2.4
57.06959	1.3
57.07233	1.6
67.05347	7.5
67.05756	2.9
69.03326	0.7
69.06907	8.0
69.07323	2.9
70.41904	1.7
71.04835	7.3
71.05267	2.5
78.65143	0.7
79.05322	6.4
79.05827	1.5
81.03242	4.5
81.06882	14.0
81.07420	3.3
83.04861	1.1
83.08443	3.7
85.06396	1.5
91.05296	6.9
91.05917	1.6
93.06853	17.8
93.07510	3.3
95.04780	2.7
95.05340	1.4
95.08419	26.9
95.09096	4.5
96.08793	0.8
97.06355	2.1
97.06893	0.7
97.10030	1.6
99.07911	3.8
105.06839	12.1
105.07595	1.6
107.08394	25.6
107.09204	3.3
109.06317	3.4
109.09954	14.9
109.10784	2.2
111.07909	2.0
113.09499	0.9
117.06834	1.9
119.08367	20.4
119.65120	0.7
120.08803	0.7
121.06369	1.2
121.09930	21.2
121.10880	2.0
123.07858	14.6
123.08819	1.5
123.11497	6.9
123.12453	1.5
124.08279	0.7
125.09421	3.0
127.10976	8.9
129.06819	1.2
131.08359	4.7
133.06288	1.0
133.09912	23.5
133.11021	1.7
133.81943	0.7
135.07916	1.3
135.11475	17.9
135.12567	1.6
136.98172	0.9
137.09441	1.6
137.13028	6.2
139.07407	0.7
141.08910	1.1
143.08368	1.7
145.09900	7.2
147.07906	0.8
147.11461	18.2
149.02106	1.3
149.09488	1.8
149.13034	22.0
150.95650	0.6
151.10953	4.9
153.08890	0.8
153.12587	1.0
157.09926	2.6
159.07874	0.8
159.11697	9.4
160.42180	0.8
161.09540	1.5
161.13228	10.7
163.11041	1.3
163.14610	2.5
165.12610	1.6
171.11488	2.8
171.70000	0.8
173.13242	4.1
175.10884	1.3
175.14795	6.1
177.12747	6.7
177.16162	1.3
179.14079	2.3
185.13242	3.4
187.14706	3.7
189.16397	7.9
191.14183	1.1
191.17683	2.6
193.12260	3.5
193.15706	1.3
195.13783	11.4
197.13156	1.1
199.14720	1.7
201.16379	6.6
203.14063	3.0
203.17911	4.5
205.15678	1.1
207.13522	0.7
207.17226	2.3
209.15141	2.4
215.17744	2.3
217.19475	14.0
219.13583	0.9
219.17412	0.8
221.15353	7.7
221.18846	1.1
223.16766	1.0
227.17769	1.2
229.19632	0.8
233.18777	1.6
235.20407	1.8
239.16124	1.2
269.22629	1.5
287.23611	4.2
289.25272	0.9
305.24603	1.9
312.51874	0.8
383.29373	0.9
385.30945	1.2
387.32458	1.4
393.31793	1.1
411.32703	10.5
429.33630	100.0
430.34100	3.2
447.27817	4.9
447.34726	45.9
448.34894	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3462
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
54.71743	1.6
55.01850	2.0
55.05268	1.3
55.05505	21.4
57.07068	13.1
67.05486	11.4
69.03413	1.6
69.07059	42.8
69.32695	7.1
69.33128	8.6
71.08631	7.0
79.05466	5.9
81.03381	1.8
81.07052	19.4
83.04964	3.2
83.08604	22.1
85.10171	2.9
88.02197	4.3
89.51874	1.4
91.05428	3.5
93.07035	10.6
95.04953	2.5
95.08585	21.6
97.06511	1.4
97.10168	10.6
98.20795	2.9
105.06995	8.4
107.08575	8.1
109.06476	3.8
109.10144	11.2
111.11689	6.2
118.96471	1.2
119.08549	5.3
121.06424	2.4
121.10126	5.9
123.08041	3.6
123.11672	5.4
124.98351	1.5
125.13252	4.1
129.06984	2.0
131.08507	2.5
133.06453	2.2
133.10112	5.1
135.08046	2.3
135.11624	2.0
137.05971	12.0
137.09621	1.8
137.13228	3.5
139.07513	2.6
141.05438	3.8
143.08505	1.8
145.10129	2.2
147.07990	2.3
147.11610	3.9
149.02295	2.6
149.05957	4.6
149.09598	1.8
149.13252	2.3
151.07523	29.3
151.14832	1.8
157.10063	2.8
159.08096	2.4
159.11673	4.5
161.05876	1.7
161.09544	3.1
161.13210	3.0
163.14783	1.7
165.05400	8.3
165.09088	6.8
167.07014	100.0
171.22778	1.5
173.13214	2.4
175.07520	4.0
175.11145	2.3
177.09056	6.6
179.06987	3.0
179.10712	2.2
180.53783	1.3
181.08586	4.7
182.38937	1.5
187.11147	1.7
187.14799	1.4
189.09062	5.0
189.12750	1.6
191.06981	4.1
191.10640	5.9
192.07733	1.8
193.08568	6.1
203.10625	4.3
205.08533	5.6
205.12190	4.4
207.10081	11.9
215.10632	2.8
217.12245	1.6
219.10107	3.2
221.11705	5.5
229.12180	1.9
233.11763	4.3
247.13217	2.1
263.16333	2.4
291.19550	2.6
333.24414	1.7
347.25861	7.1
361.02737	1.5
373.27368	2.2
401.34036	1.7
411.32443	3.8
429.33575	39.0
430.33884	2.0
447.34464	4.1
447.39999	2.7
448.35196	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	447.3462
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
53.03936	1.2
53.49026	0.6
55.05502	17.2
57.07070	7.3
67.01836	1.2
67.05493	5.3
69.07058	30.1
71.08614	4.5
79.05459	1.8
81.07045	12.8
83.04964	2.0
83.08143	1.0
83.08611	15.4
83.38065	0.6
85.10148	1.9
91.05461	2.5
93.07027	6.4
95.04955	1.0
95.08594	11.3
97.10155	8.8
98.21494	1.5
105.07011	2.5
107.08595	1.4
109.06474	2.9
109.10136	6.9
111.08086	0.7
111.11710	4.8
115.55400	0.6
117.07021	1.3
119.04948	0.8
119.08534	1.9
121.06474	2.2
121.10123	2.1
123.08032	2.5
123.11707	4.1
125.05981	0.8
125.13227	1.8
131.08574	1.5
133.06470	1.2
133.10109	1.4
135.08046	2.1
135.11668	1.5
137.05972	10.9
137.13237	2.2
139.07503	5.0
141.05444	1.5
143.08556	1.2
145.10138	0.8
147.07983	2.0
149.05933	4.6
149.09639	1.2
149.13225	1.0
151.07526	23.0
151.14812	1.6
157.10104	1.5
159.08005	1.4
159.11769	0.9
160.08833	0.7
161.05949	3.3
161.09627	1.1
163.07585	1.8
164.28969	0.6
165.05453	8.7
165.09152	6.0
166.05849	0.8
167.07016	100.0
168.07385	1.5
173.09676	1.2
175.07457	3.8
175.11174	1.1
177.09029	4.4
178.06267	0.8
179.07016	3.4
179.10632	3.1
179.17880	1.2
181.08569	3.7
184.24811	0.7
187.11148	0.9
189.09077	5.6
189.12753	0.7
191.06990	3.4
191.10658	2.4
192.07858	1.2
192.42665	0.8
193.08575	6.6
195.10179	1.7
201.09140	1.4
203.10667	4.1
205.08560	10.3
205.12164	3.3
207.10129	10.7
215.10707	1.4
217.12224	2.8
219.10158	4.9
220.10600	1.1
221.11690	3.7
231.13736	0.9
233.11610	3.8
235.13254	1.8
239.11803	0.7
247.13318	1.2
249.14906	1.3
263.16406	1.2
277.17862	1.5
278.90128	0.6
291.19525	2.2
303.19308	1.3
305.21265	1.3
347.25861	2.5
373.27258	1.2
411.32642	4.0
429.33578	25.1
430.34073	1.1
447.21692	1.4
447.34650	28.3
448.34964	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73591	3.1
53.03943	3.6
55.05515	14.9
57.07084	6.2
61.02908	5.6
67.05493	15.9
69.03402	5.7
69.07062	23.7
70.78073	4.1
70.78410	7.1
71.04966	5.3
77.30997	2.9
79.05485	16.9
81.03387	8.6
81.07054	41.8
83.04974	6.7
83.08601	10.7
85.06526	4.7
91.05467	17.3
93.07036	35.1
95.04962	6.3
95.08593	57.6
97.10157	7.3
99.04426	7.4
99.08059	3.7
101.06001	5.6
105.07014	38.6
107.08588	46.7
108.08925	4.4
109.06519	7.4
109.10151	31.8
111.08072	5.0
113.06033	4.1
117.06979	6.2
119.08566	62.9
119.09393	2.0
121.06519	3.5
121.10122	36.1
123.11694	11.6
125.06033	3.5
127.07526	2.9
129.07031	5.5
131.08551	10.7
133.10101	36.5
135.08005	4.9
135.11676	29.3
137.09573	3.7
137.13248	7.1
145.10101	29.7
147.11665	79.2
149.02310	5.9
149.09616	4.8
149.13234	11.4
151.11127	5.0
153.39696	3.0
157.10104	8.3
159.11682	32.7
161.09615	4.0
161.13239	16.8
163.11160	8.2
163.14816	17.6
165.05565	3.8
165.12746	39.5
169.10080	3.4
171.11586	4.9
173.13176	16.5
175.11176	14.3
175.14764	18.8
177.12743	7.0
179.14384	4.1
181.12280	4.2
187.14792	20.8
189.12753	3.6
189.16354	100.0
190.16635	3.7
191.14287	7.3
191.17903	5.0
193.12222	29.2
195.13759	4.8
201.16331	8.1
203.14246	3.5
203.17915	10.4
205.15817	3.9
205.38651	3.7
207.13855	8.4
207.17401	50.5
211.13234	8.4
215.17934	15.8
217.19444	4.8
221.15337	5.9
223.16881	6.0
233.18916	6.3
235.16798	4.7
249.18452	9.6
251.19963	7.5
285.16910	5.1
294.74380	3.4
313.52417	3.5
379.29950	7.1
397.30978	53.5
409.41812	3.2
411.32535	5.4
415.31964	35.7
429.33780	6.7
447.34860	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3461
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
53.03936	1.3
55.01865	1.1
55.05501	14.7
56.45897	0.9
57.03441	1.2
57.07066	9.2
67.05489	7.9
69.07056	29.7
70.32220	1.6
70.32619	2.1
70.37835	1.0
71.04981	0.9
71.08624	5.7
79.05488	3.5
79.46174	0.8
79.61791	0.7
81.07046	15.3
83.04976	3.0
83.08606	18.5
85.10175	2.2
85.82594	0.8
91.05482	4.0
93.07037	9.7
95.04957	1.5
95.08585	14.9
97.10153	8.6
105.07044	3.7
106.35372	0.9
107.08568	4.4
109.06520	2.9
109.10144	6.6
111.11732	4.0
117.07004	1.0
119.08560	4.7
121.06530	3.3
121.10152	3.9
123.08074	3.6
123.11711	5.5
125.13291	2.0
131.08546	2.2
133.10153	2.7
135.08102	2.5
135.11668	2.2
135.23579	0.9
137.05960	11.0
137.13243	1.8
138.06708	1.0
139.03941	1.5
139.07562	3.9
141.05486	1.8
142.07794	1.2
145.10121	2.0
147.08032	1.7
147.11720	2.7
149.05946	4.9
149.13342	2.3
151.07529	24.6
151.14835	0.9
157.10114	2.1
159.08051	2.3
159.11703	2.8
161.06027	3.0
161.09657	3.2
161.13290	1.8
163.11234	1.7
163.14882	1.1
165.05455	7.7
165.09109	6.2
167.07016	100.0
168.07475	1.3
169.10130	1.3
171.11652	1.3
173.09618	1.6
175.07634	2.9
175.11293	2.5
175.14909	1.2
177.09091	5.6
179.07091	4.1
179.10719	2.7
181.08636	4.2
187.11238	1.2
188.08406	1.2
188.15178	1.1
189.09018	5.0
189.12869	1.3
191.07086	3.6
191.10698	3.9
191.17992	1.2
192.07751	1.3
193.08534	6.0
193.84052	0.9
195.10156	1.1
199.11171	1.3
201.09169	1.3
203.10764	3.9
205.08546	10.8
205.12291	1.8
207.10135	9.8
207.20911	1.1
215.10780	1.3
217.12381	2.9
219.10127	4.6
221.11707	4.7
229.12361	1.0
230.21854	1.0
231.13889	2.2
233.11789	3.1
235.13310	2.1
247.13251	1.6
277.17935	1.6
291.19482	1.9
293.63452	1.1
319.22891	1.2
401.34381	1.9
405.37518	1.6
411.32672	3.6
429.33588	22.3
447.34769	38.1
448.35291	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3098
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
55.05502	11.1
56.68056	1.4
57.07047	2.1
59.04990	3.0
64.94447	1.2
65.03927	1.9
67.05495	9.9
69.07059	7.4
70.87862	4.5
71.04982	3.4
73.33931	1.4
74.32365	1.2
79.05491	9.6
81.03404	3.2
81.07052	15.2
83.04964	4.9
83.08590	5.1
85.06537	3.7
91.05467	10.6
93.07040	17.4
95.04935	5.4
95.08604	16.4
97.06517	3.4
97.10149	2.5
99.04424	7.0
101.06002	5.6
105.07009	19.5
107.04948	2.2
107.08583	52.9
109.06535	3.6
109.10139	12.6
111.08074	3.2
117.07034	2.1
119.08566	27.7
121.06467	3.4
121.10127	16.7
123.08018	2.1
123.11696	9.5
125.09623	4.2
129.06938	3.6
131.08565	11.5
133.10098	18.0
135.08026	2.4
135.11665	9.6
137.09595	3.6
141.06941	1.6
142.07808	1.5
143.08548	6.4
145.06529	2.6
145.10109	18.1
147.08046	3.0
147.11670	21.8
149.09602	3.1
149.13278	8.3
151.11192	1.9
155.08540	4.1
156.09204	2.1
157.10107	14.0
159.07928	1.6
159.11678	15.2
160.65630	1.5
161.09645	3.2
161.13251	14.9
162.13593	1.8
163.11163	6.5
163.14790	2.2
165.12740	11.5
169.10089	8.2
170.10832	2.0
171.11658	9.2
173.09660	2.1
173.13266	12.0
175.11154	3.7
175.14862	8.6
177.12766	4.3
181.10120	2.0
183.11674	10.1
184.12328	1.6
185.13245	8.9
187.11143	3.4
187.14783	5.0
189.12758	6.1
189.16336	3.9
191.14253	4.2
193.12248	3.2
195.11671	4.0
196.12401	2.8
197.13245	6.0
199.14743	3.9
201.12671	2.6
201.16391	3.7
203.14305	6.0
207.11858	2.5
207.13618	8.3
209.13239	5.0
211.14813	6.2
213.16296	1.5
215.14336	1.8
217.15927	1.7
219.13907	2.9
221.13370	3.2
221.15332	7.1
223.14766	4.0
223.16798	1.5
225.16331	2.4
229.15753	3.0
233.15295	4.7
235.14841	1.9
237.16406	3.8
239.14345	1.9
241.16003	2.3
247.16895	3.5
251.17944	2.7
253.15988	2.0
257.15451	2.4
259.17001	1.8
271.16870	7.7
277.19418	3.0
293.22873	1.8
295.20200	1.5
297.18542	6.5
299.20212	1.6
305.22549	3.7
307.20428	1.5
307.23938	1.7
311.20200	1.9
323.19916	3.7
323.23602	2.6
335.23877	1.6
351.26724	5.6
353.24744	4.0
355.22675	3.3
365.28461	3.0
367.26022	1.9
369.27722	3.0
371.25809	4.7
375.26657	3.9
383.29364	7.5
387.25284	4.8
393.27841	28.1
394.28159	3.3
411.28928	100.0
412.29285	5.0
429.30121	60.2
430.30136	3.1
447.26178	4.7
447.30890	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	447.3097
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
52.49747	1.6
53.03925	2.2
55.01860	4.4
55.05507	16.9
57.03435	2.8
57.07065	2.9
67.05495	22.5
69.03413	4.0
69.07061	17.0
69.52542	3.4
69.52951	12.6
71.04961	2.7
79.05477	26.2
81.03403	6.8
81.07044	36.4
83.04969	8.1
83.08609	9.3
85.02869	1.9
85.06519	6.8
91.05470	23.0
93.06454	3.9
93.07027	55.5
95.04937	13.0
95.08593	58.0
97.06519	21.3
97.10140	5.6
98.21502	3.2
99.04427	5.0
99.08076	8.1
101.05994	4.7
105.07012	35.6
107.04935	3.5
107.08575	51.8
109.06502	11.0
109.10139	33.9
111.04401	2.2
111.08069	30.9
117.07011	9.5
119.08563	64.9
121.06494	18.5
121.10119	45.3
123.08067	10.8
123.11675	12.2
125.09614	21.8
127.07533	3.9
129.06990	3.5
131.08542	17.8
133.06482	4.2
133.10107	57.8
135.08043	5.9
135.11658	24.3
137.05969	2.2
137.09579	8.6
137.13239	5.5
138.36469	1.9
139.07513	28.1
141.06927	2.9
143.08525	8.9
145.10103	23.9
146.10440	2.0
147.08041	3.6
147.11674	28.7
149.02338	2.1
149.09590	9.1
149.13226	12.9
150.91544	2.0
151.11150	10.0
153.09048	3.5
157.10139	11.9
158.10846	3.2
159.07968	2.3
159.11670	36.8
160.12354	2.4
161.09624	6.6
161.13223	28.0
162.10355	2.1
163.11134	11.2
163.14830	5.5
165.09155	4.1
165.12775	5.2
169.10165	4.0
171.11682	11.2
171.26767	1.8
173.09575	2.9
173.13245	25.8
175.11174	5.4
175.14804	57.8
176.15134	2.4
177.12741	9.1
177.16370	22.6
178.14441	1.8
179.14212	2.4
181.12196	3.2
183.10161	6.5
183.11719	4.7
185.11714	3.4
185.13174	13.9
187.11143	2.6
187.14803	17.7
188.11850	2.4
189.12749	6.4
189.16370	14.8
191.10744	2.8
191.14319	3.7
193.12225	3.7
193.15842	2.2
195.11781	2.5
195.13737	4.0
197.13243	7.6
199.14796	14.3
201.12755	3.3
201.16370	35.7
203.14355	10.5
203.17902	31.1
203.39510	1.8
205.12221	4.0
205.15897	6.3
207.13815	4.0
207.17381	2.2
209.13255	3.2
211.14825	3.4
213.16374	6.6
215.14420	3.8
215.17911	13.7
216.15121	6.4
217.12299	2.3
217.15921	12.6
217.19441	12.2
219.13818	3.6
219.17484	2.1
221.15314	2.4
223.13191	3.0
227.17896	5.6
229.15886	3.2
229.19441	3.7
230.16655	2.5
231.17407	4.2
237.16389	2.3
241.19533	2.5
243.17227	2.4
245.18950	3.8
245.22754	2.4
249.18536	2.2
255.17534	1.9
255.18452	2.2
255.21040	17.0
256.21671	2.5
257.15421	2.8
257.22714	2.0
259.16739	1.8
271.20450	3.5
272.21399	1.8
273.22086	67.0
279.15863	2.1
281.17453	3.9
291.23026	10.6
299.20163	2.6
310.74704	1.8
337.21466	2.3
355.22702	4.6
373.23724	14.2
383.29269	8.4
385.27557	2.7
387.25156	7.1
393.27811	18.7
394.93500	2.3
411.28879	46.5
412.29437	3.4
429.30011	100.0
430.30313	6.4
447.25546	25.0
447.31119	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	447.3099
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
53.03939	0.6
55.01870	0.5
55.05502	3.7
57.03434	0.6
57.07070	0.4
59.04981	0.7
65.03926	0.4
67.05494	4.9
69.03409	0.7
69.07056	2.5
70.00133	1.5
71.04989	0.8
71.08604	0.3
79.05488	4.0
81.03413	1.3
81.07046	6.5
83.04978	1.3
83.08610	1.7
85.02909	0.4
85.06530	1.8
91.05455	3.5
93.07033	6.7
95.04942	2.1
95.08597	7.7
96.37270	0.3
97.06515	1.3
97.10149	0.9
99.04445	2.2
99.08078	0.4
101.06003	1.1
105.07015	6.1
105.07710	0.2
106.59391	0.3
107.04949	0.6
107.08585	12.1
109.06484	2.0
109.10144	6.9
111.08060	1.8
115.05480	0.4
117.07004	1.0
119.08566	7.8
121.06500	1.3
121.10133	5.7
123.08073	2.1
123.11681	2.3
123.75681	0.3
125.09606	0.9
127.07545	1.1
129.07021	0.7
131.04825	0.3
131.08534	2.7
133.06490	0.7
133.10110	6.2
135.08038	1.6
135.11668	3.0
137.09630	1.3
139.07468	0.7
141.06955	0.4
142.07779	0.4
143.08534	2.1
145.06432	0.5
145.10106	4.0
147.08080	0.7
147.11667	6.0
149.09648	0.9
149.13246	1.8
151.07561	0.5
151.11159	1.1
153.09077	0.4
155.08583	0.9
156.09293	0.7
157.10117	3.4
158.10875	0.6
159.08128	0.8
159.11681	5.2
161.09592	1.1
161.13251	3.4
163.11169	2.0
165.12767	1.8
167.08582	0.5
169.10139	1.1
170.10919	0.7
171.11693	3.6
173.09622	0.5
173.13255	3.9
175.11203	1.4
175.14778	2.8
177.12802	1.1
179.10696	0.9
179.14223	0.4
181.10072	0.4
182.10977	0.4
183.11673	1.9
184.12454	0.5
185.13210	2.5
187.11177	0.7
187.14784	2.5
189.12746	1.5
189.16382	1.2
189.23154	0.4
191.10635	0.4
191.14265	0.7
193.10350	0.4
193.12248	1.2
195.11720	1.2
196.12502	0.4
197.11612	0.5
197.13234	3.0
198.14084	0.3
199.11090	0.5
199.14780	4.0
201.12706	0.6
201.16350	2.4
203.14262	0.8
205.12291	0.3
205.15840	0.5
207.11899	0.4
207.13815	0.8
208.12482	0.4
209.13243	0.9
209.15126	0.4
211.14796	1.7
213.12843	0.7
213.16333	2.0
213.79338	0.3
215.14380	0.6
215.17947	1.1
217.15994	0.6
221.13321	0.7
223.14809	1.4
223.16858	0.4
225.16412	1.6
227.14395	0.6
227.17950	1.4
228.18790	0.4
229.15967	0.5
231.17563	0.4
233.15392	0.4
235.14900	0.3
237.16492	0.7
239.17921	0.9
241.15788	0.6
241.19608	0.6
245.15457	0.4
247.16982	0.8
251.18092	0.5
253.19438	0.7
255.17570	0.7
255.20906	0.7
257.15359	0.7
259.16946	0.6
265.19812	0.5
271.17007	0.6
273.18594	0.7
279.20953	0.4
287.20093	0.5
297.18347	0.5
299.20013	0.8
301.21725	0.6
303.19427	0.6
317.21097	0.6
319.20529	0.4
327.19449	0.3
327.23160	0.4
329.21252	0.9
337.21692	0.8
341.21170	1.1
343.22379	0.4
351.26697	0.5
353.24542	1.8
355.22781	1.3
369.27875	1.0
371.25787	1.2
373.23709	0.7
375.26978	0.4
383.29520	1.3
393.27805	3.0
401.30298	0.3
404.26031	0.3
411.28836	6.4
429.30499	3.3
430.30539	0.3
447.31110	100.0
448.31467	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	447.31
Annotation	Hyousterone B
Peak:m/z	Relative Intensity
51.23801	2.2
53.03921	7.1
55.01862	7.0
55.05508	37.0
57.03418	10.2
57.07044	4.4
59.04982	5.6
65.03922	3.8
67.05494	47.6
68.05868	2.3
69.03413	6.0
69.07063	24.1
71.01319	3.4
71.04983	6.8
77.76645	2.2
79.05051	3.3
79.05483	48.3
81.03412	36.4
81.07048	58.5
81.63060	2.4
83.04976	20.5
83.08622	18.9
85.02898	2.8
85.06522	10.3
88.95416	2.3
90.54822	2.5
91.05462	39.8
92.05744	2.4
93.07033	63.2
95.04955	28.2
95.08594	61.8
95.78037	2.3
97.06505	9.4
97.10166	12.5
99.04436	8.5
99.08060	6.0
101.06000	22.4
103.30769	2.8
105.07012	51.0
107.04919	15.4
107.08582	61.7
109.06503	12.6
109.10151	31.0
111.08055	16.2
111.11740	3.7
113.00009	3.1
113.09554	2.4
113.82995	2.3
117.06989	14.3
119.08568	88.6
120.08900	3.8
121.06518	14.8
121.10125	50.8
122.10457	2.8
123.04410	5.0
123.08080	14.7
123.11661	11.3
125.09607	15.0
127.07552	5.0
129.05482	5.6
129.06979	13.8
129.19044	2.3
131.08545	34.5
133.06470	5.3
133.09117	4.2
133.10117	66.7
135.08017	12.9
135.11679	42.4
137.05971	4.1
137.09596	8.7
137.13216	5.1
139.07521	6.8
139.11157	6.6
141.06923	4.5
142.07730	4.3
143.08557	13.1
145.06461	5.8
145.10103	43.6
146.08632	2.4
147.08032	13.7
147.11653	36.5
149.02338	3.4
149.09589	8.9
149.13248	12.5
151.07481	6.8
151.11142	8.2
153.09114	2.4
155.08545	4.8
156.09290	3.2
157.10118	17.3
159.08069	3.0
159.11674	31.6
161.09598	29.6
161.13219	18.5
163.11133	27.3
163.14786	14.6
165.09109	5.4
165.12746	3.9
167.10641	6.8
169.10178	6.3
171.11607	14.1
173.09570	3.9
173.13225	27.3
175.11172	13.6
175.14796	20.4
177.12735	14.9
177.16356	4.9
179.10686	14.8
181.12173	5.5
183.11703	8.5
185.13249	14.7
187.11148	5.2
187.14787	19.9
189.09085	14.4
189.11156	3.1
189.12770	8.3
189.16359	77.3
191.10620	2.5
191.14273	6.0
193.12190	19.0
195.11807	2.9
195.13768	4.4
197.13211	6.1
199.14792	11.2
201.12679	6.9
201.16415	11.3
202.16859	2.5
203.10583	6.0
203.14320	8.0
203.17896	7.8
205.12146	7.6
205.15855	5.0
207.10146	27.5
207.13748	5.0
207.17412	10.1
211.13177	3.9
213.16397	8.0
215.17920	5.9
217.15871	6.4
219.13739	8.1
219.17436	3.7
221.15370	6.5
223.13188	5.7
225.11186	7.3
225.16319	4.2
227.14264	3.2
229.15858	3.5
231.13805	5.7
231.17368	5.1
243.21057	4.2
245.15286	3.2
247.16899	3.5
249.14777	5.8
249.18549	3.1
255.21219	3.2
257.22583	4.0
285.22055	3.4
291.09830	3.0
329.20953	8.3
335.25787	5.5
337.21454	6.2
355.22681	12.0
365.28259	3.9
369.27975	6.9
373.23459	5.9
375.26599	3.8
383.29395	20.6
385.27042	17.1
393.27890	15.6
401.30582	5.6
403.24542	4.5
411.24179	3.8
411.28967	52.6
417.29865	3.9
429.30249	100.0
430.30441	4.5
447.27206	72.3
447.31564	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03926	3.0
55.01862	4.6
55.05256	1.4
55.05502	15.9
57.03425	6.6
57.07060	1.7
63.81217	0.7
65.03924	2.6
67.05492	36.0
69.03408	2.4
69.06779	0.8
69.07063	8.8
71.01339	2.3
71.04977	3.4
71.07001	0.7
71.07323	1.2
79.05483	34.0
81.03407	44.3
81.07046	27.3
83.04965	8.3
83.08130	1.1
83.08605	15.2
85.02877	2.2
85.06521	2.6
91.05466	26.3
93.07034	32.7
95.04956	26.6
95.08591	13.4
97.02862	1.1
97.06557	5.0
97.10148	11.7
99.08064	1.6
101.06035	0.8
103.05433	1.0
105.04490	1.2
105.07018	17.9
107.04945	7.6
107.08583	23.3
109.06516	4.3
109.10130	8.4
109.10815	1.1
111.04456	1.0
111.08050	6.7
113.00077	0.8
115.05470	1.3
117.07001	8.7
119.04929	1.9
119.08570	14.4
121.06487	7.5
121.10120	9.3
123.08045	3.3
123.11657	2.2
125.09609	8.6
128.06218	1.7
129.06984	11.3
131.04887	2.1
131.08534	12.6
133.06488	4.3
133.10107	9.7
135.08067	4.1
135.11670	24.5
135.12695	1.4
137.05972	0.9
137.09573	2.2
141.06976	2.3
142.07750	1.4
143.08536	5.1
145.06458	5.8
145.10092	11.6
147.08041	4.3
147.11673	6.1
149.02278	1.2
149.09592	4.5
149.13225	2.0
151.07509	1.2
153.09048	1.2
155.08514	2.9
157.10103	8.1
159.08026	2.3
159.11659	5.7
161.09615	3.3
161.13190	1.7
163.11134	8.0
165.12759	1.5
167.08490	1.6
169.10123	3.3
171.08080	1.6
171.11656	2.6
173.09610	2.1
173.11858	0.7
173.13249	2.6
175.11171	6.9
175.14757	2.2
177.12755	2.3
178.87480	0.8
179.10628	1.0
181.10152	1.3
181.12202	4.1
183.11649	3.4
185.09662	1.1
185.13200	3.8
187.11150	3.4
187.14851	0.9
189.11183	3.8
189.12714	1.9
189.16391	1.3
193.10384	1.6
193.12228	20.7
195.11650	1.8
197.09583	1.1
197.13254	0.9
199.13185	0.9
201.12726	2.0
203.10657	1.9
203.14301	4.0
205.12257	2.5
207.11687	0.9
207.13690	1.0
209.11415	0.8
211.13162	1.9
211.14932	1.3
213.12704	1.4
213.16327	0.8
215.14311	1.0
219.13808	1.8
221.15242	0.8
223.13197	1.6
225.12714	1.2
227.12733	2.4
231.13812	1.4
243.13747	0.9
243.17505	0.9
245.59045	0.8
249.14761	4.1
257.15390	1.7
261.14615	1.1
267.15918	1.5
275.16470	1.0
285.16879	1.1
309.21954	0.9
316.25864	0.8
327.23068	2.0
329.21072	6.4
335.25903	0.9
337.21478	4.5
345.24100	0.9
347.22165	2.5
355.22614	13.7
373.23590	6.7
383.29541	1.2
384.24414	1.0
385.23627	0.9
391.24915	1.9
393.28021	1.4
403.24564	9.1
411.29150	1.4
429.25800	13.1
430.30228	0.9
447.27261	100.0
448.27728	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	447.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42288	1.1
53.03918	5.4
55.01851	4.2
55.05256	1.4
55.05501	18.5
57.03423	8.7
65.03936	2.3
67.05497	35.6
69.03422	2.9
69.06763	1.2
69.07059	12.2
70.14009	6.1
71.01337	1.9
71.04964	3.5
79.05480	39.3
81.03408	48.7
81.07049	22.5
83.04972	10.4
83.08608	14.1
85.02877	1.7
85.06506	2.6
91.05466	34.9
93.06462	2.0
93.07032	33.9
95.04954	27.6
95.08593	15.6
97.06523	7.2
97.10165	8.7
98.20806	1.9
99.08062	2.3
104.40604	1.1
105.07022	21.5
106.70089	1.2
107.04938	9.2
107.08583	26.0
109.06486	4.4
109.10115	8.0
111.04449	1.1
111.08057	5.7
115.05402	1.7
117.06959	8.2
119.04900	1.3
119.07779	1.7
119.08569	17.0
121.06469	6.0
121.10152	9.7
122.64044	1.2
123.08049	4.0
125.06010	1.4
125.09639	5.8
128.06195	2.2
129.06992	12.9
130.58612	1.2
131.04921	2.3
131.08551	14.2
133.06487	5.6
133.10107	12.2
134.35942	1.3
135.08011	4.0
135.11665	26.9
137.09576	3.5
141.06953	3.1
142.07773	3.4
143.08531	4.4
145.06416	5.5
145.10103	11.5
147.06943	1.3
147.08020	4.9
147.11630	8.1
149.09566	5.3
149.13229	1.9
151.11235	1.4
153.09077	1.3
154.56598	1.1
155.08485	2.1
157.10104	9.0
159.08032	3.6
159.11635	6.3
161.09554	2.4
161.13235	5.1
163.11147	9.7
169.10103	3.4
171.11642	3.2
173.09564	2.2
173.13164	4.0
175.11139	6.0
175.14734	2.2
181.12141	4.8
183.11661	3.8
185.09627	1.7
185.13208	5.5
187.11172	2.6
187.14793	2.9
189.11142	4.3
189.16354	1.9
193.10422	1.6
193.12215	23.3
195.13792	1.4
201.12746	1.9
203.10597	2.0
203.14267	3.7
205.12241	1.7
205.15855	1.6
209.13426	1.7
213.12749	1.8
219.13704	2.1
225.12679	2.5
231.13754	2.7
233.15298	1.8
236.35063	1.3
249.14821	3.7
261.14838	1.5
264.20920	1.3
311.19778	1.5
327.23065	3.0
329.20917	8.3
337.21600	5.6
347.22165	2.0
355.22620	14.2
365.28253	1.5
373.23584	4.4
383.29373	4.3
391.24860	3.0
403.24756	8.9
411.29114	1.9
429.25800	10.5
430.26279	1.2
447.27261	100.0
448.27936	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	447.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
55.01871	8.8
55.05257	2.1
55.05505	27.3
57.03427	26.2
57.07061	6.7
57.52867	1.7
59.25054	2.2
65.03918	2.7
67.05494	60.4
69.07059	28.1
69.50873	6.9
69.51302	9.6
71.04985	3.3
71.08600	3.7
79.05480	36.5
80.84274	1.8
81.07047	63.1
81.48824	1.9
83.04968	3.7
83.08607	20.0
85.06524	2.7
85.77084	1.6
91.05450	18.2
93.07030	37.4
95.04945	5.2
95.08598	53.2
97.06515	5.0
97.10152	9.7
98.21547	4.1
98.98457	22.6
99.08002	1.9
105.07022	18.0
106.78687	1.8
107.04960	2.6
107.08578	29.3
109.06467	3.9
109.10136	24.3
110.73929	1.9
111.08065	4.1
111.11684	2.3
113.00009	74.4
114.79191	1.7
117.07007	6.0
119.08564	19.3
121.06467	2.2
121.10120	21.3
123.08032	2.6
123.11723	10.7
125.09566	2.8
129.06964	3.2
131.08578	11.9
133.10110	14.2
135.08063	3.6
135.11682	19.0
136.99988	21.8
137.09605	2.8
137.13168	2.8
143.08531	4.9
145.10115	14.3
147.11658	10.1
149.02313	2.7
149.09563	2.7
149.13232	6.8
151.91849	1.9
155.01039	20.4
157.10114	2.2
159.11673	10.1
161.09540	4.3
161.13269	9.4
163.11191	3.7
163.14778	4.0
165.09219	2.2
169.02579	25.1
169.10156	1.7
171.11664	4.8
173.13235	8.0
175.14806	4.4
178.02611	2.5
183.11723	3.7
187.03641	9.0
187.14812	5.5
193.02571	3.9
201.16452	3.8
211.03601	3.5
221.15373	2.1
237.22168	4.5
243.21054	7.5
261.22137	14.1
278.13303	1.8
311.25751	22.1
317.24698	7.0
335.25760	100.0
336.26086	5.5
429.24774	2.1
429.29715	5.9
447.25070	42.4
447.31375	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	447.2219
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03940	6.9
53.45111	2.1
55.01863	7.1
55.05502	14.0
57.03434	26.9
59.04992	2.9
61.02921	52.9
62.78567	1.7
65.03928	1.8
67.05495	36.1
69.03426	29.8
69.07054	6.2
70.08916	9.9
71.01359	3.9
71.04974	10.6
73.02912	29.7
79.05486	33.6
81.03408	83.0
81.07047	34.9
83.04969	22.1
83.08610	22.1
85.02895	82.4
85.03413	3.0
85.06538	3.5
87.04470	2.5
87.59523	1.6
91.03944	33.3
91.05463	47.5
92.62749	1.6
93.07039	32.4
95.04957	32.7
95.08576	14.3
97.02882	49.0
97.06503	7.1
97.10169	2.1
98.28944	2.4
99.04456	7.7
101.02366	10.7
103.03935	3.8
105.07018	30.5
107.04953	11.0
107.08598	11.8
109.02879	15.7
109.06505	6.7
109.10159	4.4
111.04440	5.4
111.08076	13.7
115.03948	3.8
117.07037	3.3
119.04937	7.0
119.08577	34.7
121.06494	4.6
121.10123	13.2
123.08094	3.8
124.03926	2.8
125.09634	2.7
127.03902	26.6
129.05470	6.9
129.06979	13.5
131.04916	3.2
131.08559	19.0
133.05025	2.5
133.06490	4.0
133.10118	23.0
135.08090	2.4
135.11697	2.8
137.05992	5.6
137.09605	4.9
142.07790	5.0
145.04880	9.0
145.10204	2.5
147.08063	5.7
147.11659	23.7
149.09665	11.7
151.07510	5.2
153.01785	3.3
157.10091	23.2
161.06102	1.9
163.11122	3.5
165.12741	7.4
167.10695	2.2
175.11165	20.9
183.06529	5.7
193.12222	83.8
194.12505	1.7
201.07559	5.6
211.13271	100.0
212.13687	2.5
260.09189	2.0
267.15891	22.2
280.11526	2.0
285.16931	99.6
287.67581	1.8
296.25629	1.8
296.52814	1.8
298.76657	1.9
313.16547	5.4
396.56195	2.1
411.20209	3.2
429.21310	8.6
447.22464	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	447.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92555	1.1
53.03936	3.5
55.05494	6.7
57.03431	5.7
59.08861	1.1
67.05489	3.0
69.03419	15.6
69.07072	1.3
69.30231	13.0
70.06595	1.4
71.04974	4.9
71.05489	1.0
73.02917	1.6
75.04449	2.9
79.05479	26.4
81.03408	11.6
81.07043	5.7
83.04976	6.5
85.02891	13.1
85.06514	1.8
85.58572	1.3
87.04466	1.3
91.05464	15.6
93.07029	95.6
93.72276	1.3
95.04948	5.0
95.08600	3.1
97.02886	7.4
97.06525	1.9
99.04420	2.0
101.05988	10.5
103.05446	1.9
105.07003	11.1
107.04919	1.9
107.08580	26.0
109.02857	4.1
109.06522	1.2
109.10130	2.4
111.04436	2.0
111.08038	1.7
119.07112	2.6
119.08547	9.3
121.06481	2.2
121.10122	100.0
122.10472	1.4
123.08045	2.5
127.03911	5.4
129.06996	1.4
129.45869	1.3
131.07072	1.7
131.08545	7.9
133.10085	2.2
135.11697	1.4
137.05972	3.4
137.08041	7.9
139.11133	6.1
145.04941	2.6
147.08087	1.3
149.09601	43.1
151.03810	1.5
153.01834	3.8
163.11014	1.3
167.06952	3.6
167.10641	18.4
167.31630	1.1
175.11137	1.4
193.12215	1.7
253.64984	1.3
267.15741	1.8
285.16840	1.6
293.13812	7.0
311.14850	20.7
324.10352	1.7
346.45923	1.5
357.18094	1.2
447.17487	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91613	0.4
68.56203	0.4
69.03411	1.2
69.07048	0.4
69.30176	5.2
70.06569	0.4
71.04970	0.5
72.38689	0.4
79.05500	0.5
81.03397	0.9
85.02882	1.1
85.06560	0.4
91.05800	3.5
97.02883	1.2
97.22028	0.4
109.02859	0.8
115.07562	0.5
116.07092	0.9
121.02828	0.6
125.02329	0.5
127.03886	1.7
134.08104	0.6
143.03349	0.5
145.05011	0.7
149.02362	1.3
153.01813	13.4
154.02145	0.5
167.05537	1.3
198.65083	0.5
242.85724	0.5
252.05684	0.6
277.03668	1.2
285.08243	1.0
292.76465	0.6
303.01416	1.1
315.06857	0.9
315.10428	10.8
317.08331	0.9
361.02600	1.5
404.99307	0.4
447.14682	100.0
448.15146	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	447.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09110	0.3
59.70805	0.3
62.40459	0.3
67.05479	0.3
69.03416	0.5
71.04960	0.5
71.43804	0.4
71.44154	0.4
72.08176	0.3
73.02913	0.3
73.04750	0.6
79.05466	0.6
81.03409	0.5
83.04972	0.3
85.02882	0.7
91.05794	2.2
93.05470	0.4
95.04984	0.3
97.02840	0.5
109.02828	0.5
113.14108	0.2
116.07046	0.4
116.98671	0.3
118.09285	0.3
121.02851	0.6
127.03853	0.6
143.03381	0.4
149.02348	0.9
153.01804	5.3
153.02975	0.4
153.05261	0.5
161.02928	0.3
167.05582	0.7
221.04938	0.5
255.40071	0.3
259.02792	0.3
271.06042	0.5
277.03568	0.4
285.08115	0.9
315.06772	0.6
315.10458	12.0
317.08304	1.0
361.02475	1.3
447.14676	100.0
448.15030	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.0
55.01854	4.9
55.05495	7.0
56.05011	8.8
57.03433	13.3
58.06592	18.0
59.04999	4.2
60.04515	4.4
61.02903	9.2
62.64647	2.2
67.05483	8.6
68.05012	5.1
69.03420	39.5
69.07044	4.0
70.06577	9.0
71.04964	9.1
71.57424	3.5
71.57758	3.9
72.04499	5.5
73.02902	7.0
74.06056	9.7
79.05479	9.6
81.03403	26.1
81.07037	12.1
82.06564	4.9
83.04966	16.2
84.04496	7.7
84.08123	3.1
85.02891	52.5
85.06505	3.6
86.06055	9.2
86.09666	3.9
87.04446	4.8
91.05381	5.1
91.05843	5.1
93.07032	15.2
94.06557	3.6
95.04941	15.1
95.08602	14.1
96.04467	6.7
96.08100	13.8
97.02885	30.0
97.06503	12.8
98.06037	9.9
99.04436	11.1
100.39501	2.3
101.02316	4.2
103.05456	4.1
105.03346	3.0
105.07011	15.5
107.04939	6.4
107.08574	19.1
109.02851	13.1
109.06506	9.8
109.10145	5.0
110.06017	18.1
111.04438	9.6
111.08053	4.9
112.07593	3.3
113.02322	5.6
114.05503	13.9
115.03911	4.6
116.07111	2.8
117.07040	3.3
119.04913	2.5
119.08559	19.6
121.02839	100.0
121.06495	9.1
121.10110	13.5
122.03211	2.7
122.06007	10.2
122.09677	4.2
123.04447	5.2
123.08049	26.9
124.03934	4.7
124.07568	8.5
125.06009	4.4
126.05496	18.8
127.03892	26.4
129.05472	3.0
131.04872	17.7
131.08498	4.1
133.06413	2.7
133.10120	9.0
134.09631	3.6
135.08028	14.4
135.11656	8.3
135.36464	2.9
136.07562	3.8
137.05954	5.9
137.09613	9.3
138.05441	2.9
139.03876	27.3
140.07094	7.8
140.10696	3.8
143.03439	3.8
144.06519	4.8
145.04930	9.9
145.10085	8.7
147.04396	6.1
147.08026	7.9
147.11642	10.4
148.04764	4.0
149.05954	4.4
149.09618	15.6
150.05495	4.0
151.07513	9.3
152.07056	7.0
153.01836	5.7
153.05452	2.7
153.09077	10.3
158.08080	7.3
159.11699	13.8
161.05830	3.9
161.09584	10.1
161.13240	4.1
163.07639	2.3
163.11179	8.7
164.06982	3.5
165.12793	3.7
166.08611	3.2
167.07004	5.3
168.06528	6.7
170.08218	3.0
171.10162	2.7
171.11661	6.1
175.11151	13.4
177.12738	7.0
179.10632	6.4
186.07590	26.2
187.06125	5.0
187.11212	3.9
189.12708	7.1
190.12206	3.6
191.10629	4.7
193.12251	6.8
204.08647	86.7
204.13788	3.5
205.12260	9.0
206.10229	7.1
207.13771	23.9
218.15369	7.8
220.13470	2.5
222.14874	4.3
223.13281	6.7
225.14890	6.6
229.15674	2.7
230.15419	6.0
231.13782	4.9
235.05991	3.1
236.16418	11.5
240.34274	2.4
248.16394	25.0
249.07631	4.3
249.14766	18.4
265.06915	15.4
266.17459	90.1
268.18979	3.6
283.08081	27.1
284.15500	2.3
284.18521	65.7
284.21716	3.3
323.19562	2.7
332.13434	3.0
360.03000	3.8
410.21332	4.8
428.22791	39.7
446.18204	5.0
446.23819	99.2
447.17596	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	446.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07690	1.6
51.13635	1.8
53.03933	4.5
55.01850	5.0
55.05490	4.8
56.05025	5.3
57.03412	7.5
57.72573	1.6
58.06577	6.0
59.04971	1.9
60.04495	2.9
61.02905	4.7
67.05482	5.4
68.05006	4.7
69.03071	2.2
69.03419	26.5
69.07051	3.7
69.64577	12.3
70.06559	6.2
71.01340	1.7
71.04959	5.4
72.04508	2.6
73.02896	6.0
73.04751	2.0
74.06071	3.7
79.05486	4.2
81.03409	21.5
81.07034	6.2
82.06564	2.6
83.04974	10.1
84.04478	4.3
84.08146	2.9
85.02895	33.5
85.06528	3.5
86.06043	2.4
86.09686	3.6
87.04442	3.8
89.05984	2.1
91.05424	5.0
93.07016	6.9
94.06545	3.1
95.04943	12.7
95.08572	6.5
96.04494	3.0
96.08105	3.8
97.02881	19.3
97.06483	3.8
98.06033	6.3
98.21436	3.1
99.04432	10.3
100.03995	2.2
105.07000	6.8
107.04941	3.9
107.08569	9.9
108.04436	1.8
109.02895	13.6
109.06470	5.8
109.10143	4.7
110.06023	7.1
111.04419	5.9
111.08006	1.6
112.07596	2.1
113.02352	1.7
113.05982	2.5
113.47778	2.0
114.05524	12.0
115.03896	3.5
116.01676	1.6
116.07041	2.1
117.07021	2.7
119.08560	9.9
120.05262	2.1
121.02854	100.0
121.06462	5.5
121.10118	7.4
122.03172	1.7
122.06007	4.2
123.04380	2.6
123.08060	12.3
124.03922	4.4
124.07604	8.1
125.02247	2.1
126.05475	7.8
127.03907	14.2
129.05409	2.1
129.06926	2.1
131.04851	2.5
131.08553	2.6
133.04929	2.5
133.06508	2.1
133.10150	4.1
135.08081	3.6
135.11591	2.5
136.07562	2.9
137.05896	4.1
137.09561	2.8
138.05463	3.5
139.03905	24.9
140.07031	4.3
145.04926	7.3
145.10046	2.4
147.04396	9.4
147.08032	4.3
147.11690	2.4
148.04739	5.1
149.05978	2.8
149.09578	6.4
150.03188	1.8
150.05435	2.0
151.03894	5.1
151.07516	3.0
152.07030	5.2
153.01788	9.4
153.09096	4.7
158.08156	2.7
159.06470	2.0
159.11656	4.8
161.09615	5.9
162.09050	2.3
163.11172	4.1
165.05438	2.4
167.05597	2.0
167.06967	2.3
168.06519	3.9
170.08139	2.9
175.06029	2.0
175.11134	4.6
177.12819	2.4
179.10667	4.8
180.06602	3.3
186.07570	10.4
187.05898	2.2
189.12614	3.4
190.10680	3.2
190.12204	2.2
193.08514	1.8
199.08673	1.9
204.06888	2.9
204.08649	27.9
205.12242	3.9
206.10255	3.5
207.13802	8.2
218.15381	3.8
223.13292	3.1
225.14761	2.4
236.16364	3.7
239.18225	2.0
248.16524	8.3
249.14757	8.3
265.07013	17.9
266.14487	2.5
266.17471	28.9
267.15756	2.3
267.18173	1.8
268.18900	3.0
283.08084	27.2
284.15283	3.1
284.18506	25.8
294.09683	1.9
314.12280	2.0
360.02933	2.7
428.14914	1.9
428.17548	2.0
428.22745	14.8
446.24078	37.4
447.17886	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	446.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.4
54.59927	6.1
55.01852	8.4
55.05511	8.6
57.03426	10.9
58.06590	8.3
59.06102	12.9
60.04509	31.4
62.00532	5.6
67.05476	15.0
69.03426	35.1
69.07049	14.2
70.06572	8.2
71.04966	12.8
71.62153	8.7
71.62548	6.5
73.02908	8.1
79.05480	12.0
81.03410	38.9
81.07040	14.7
83.04951	21.8
83.08599	10.3
85.02897	67.2
85.06538	6.9
87.04483	7.3
91.05426	10.9
91.28045	6.3
93.07015	9.5
95.04939	24.9
95.08600	33.4
96.08144	7.1
97.02869	32.4
97.06493	12.6
99.04418	13.5
105.06998	12.6
107.08578	18.6
108.08090	8.7
109.02864	20.3
109.06498	9.0
111.08052	9.2
111.98470	5.6
113.05974	17.9
114.05508	8.1
119.04919	14.4
119.08559	11.5
121.02863	100.0
121.10145	22.4
122.09679	8.2
123.08054	34.9
124.07590	39.9
124.11199	10.4
127.03928	28.9
131.08609	9.1
133.10085	12.2
135.04436	8.5
135.08025	8.7
135.11656	8.5
137.05980	10.3
139.03911	20.2
142.12248	8.2
144.04488	8.0
145.04945	8.2
145.08525	8.7
145.10118	6.8
147.04373	62.4
148.04773	39.0
149.09669	9.8
151.07562	7.3
151.11250	10.5
152.07043	10.0
153.01825	19.4
153.09105	7.0
154.02058	7.0
159.11581	6.4
160.49480	6.0
161.09589	7.7
163.11147	7.2
166.08630	11.8
167.10660	23.2
174.09103	7.2
182.08084	12.5
183.57047	6.9
207.13742	35.7
215.86533	5.8
223.13315	5.9
230.15315	10.9
243.08676	8.4
248.16414	22.6
249.14801	11.4
265.06979	9.5
266.17432	61.1
277.03299	6.3
283.08112	8.5
284.18423	57.3
297.11243	10.5
310.09827	6.1
378.15414	8.5
428.74228	6.6
446.16049	9.5
446.23978	70.3
447.17349	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.05017	0.7
57.03436	0.7
57.56966	0.5
58.06567	1.2
61.34710	0.4
67.04247	1.5
67.05498	1.8
69.03429	1.4
69.07056	14.5
71.04979	0.7
71.62413	0.6
73.02898	2.5
79.05486	0.7
81.03394	0.7
81.07051	1.0
82.06570	17.1
83.04955	1.0
84.08132	4.4
85.02905	2.6
86.09692	100.0
87.10033	0.9
87.10837	0.5
88.03985	0.6
91.05473	1.5
93.07052	1.8
94.06544	1.1
95.04952	0.6
96.08122	3.4
97.02872	1.4
97.06512	0.9
100.07595	1.5
103.05472	0.7
105.07030	1.4
107.04954	0.8
107.08582	0.8
108.08115	1.1
109.02934	0.6
109.06521	0.5
109.10115	0.8
110.06033	10.3
119.04922	1.1
119.08590	0.7
121.10149	0.5
122.05984	1.0
123.04440	0.5
124.07567	2.0
125.06979	0.5
127.08638	5.1
128.10710	0.6
129.07007	2.0
131.04895	2.4
131.08556	1.1
133.04993	0.6
136.07581	4.1
137.05972	1.4
139.08630	7.7
142.07712	0.7
142.08679	0.7
143.08540	0.8
145.04929	1.2
146.06001	0.9
147.04364	0.5
150.12746	9.3
151.08649	0.6
153.01857	0.7
155.08534	1.4
157.06439	4.5
158.07394	0.7
159.08063	1.2
162.05431	0.5
165.05481	2.0
165.06836	0.7
169.09778	0.8
170.07353	0.7
171.08023	1.6
172.08789	14.4
173.09587	4.0
178.12236	5.7
182.08136	3.6
183.08009	1.4
185.09569	4.7
187.07529	2.8
189.09032	0.7
195.14896	33.8
196.13428	0.9
196.15271	1.0
200.10661	8.5
201.09097	0.9
202.12276	2.6
207.14001	0.6
219.14873	3.1
223.14445	2.1
228.10135	0.6
229.08534	7.4
231.10135	1.4
237.13559	1.0
237.15942	18.6
237.18254	1.0
242.45955	0.6
246.11215	50.2
247.11555	1.1
248.12746	1.4
249.14885	1.3
263.13968	1.0
265.15472	6.4
275.09109	1.1
292.11716	6.8
295.16528	1.2
305.14886	1.2
313.08060	0.7
333.14410	18.0
340.36639	0.6
359.19611	15.4
360.20090	0.7
387.18945	0.7
400.22278	1.5
401.20581	0.8
404.21744	4.9
405.20081	5.7
418.23248	3.8
428.21878	1.4
446.22809	44.5
447.23203	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3669
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
53.03936	3.8
55.01870	2.7
55.05510	11.6
57.03405	4.5
57.07066	6.0
57.69413	2.0
59.54446	2.1
64.60538	2.2
67.05491	16.9
69.03418	4.6
69.07053	16.4
71.04990	12.3
71.62629	2.8
78.99314	2.0
79.05491	10.6
81.03413	8.0
81.07048	34.2
83.05003	2.5
83.08608	6.4
85.02908	2.5
85.06532	6.5
86.24492	2.0
91.05447	14.2
93.07030	25.0
94.07408	2.2
95.04948	3.7
95.08589	36.8
97.02850	3.1
97.06516	3.8
97.10152	4.0
98.94620	2.4
103.05421	2.8
105.07010	26.4
107.04986	2.9
107.08575	30.3
109.06499	3.1
109.10138	31.8
111.08051	4.5
111.11679	3.8
113.05995	2.4
113.09633	4.1
117.06997	6.2
119.08557	30.4
121.06525	2.2
121.10127	27.2
123.08036	4.7
123.11671	15.2
124.45420	2.0
125.09621	2.6
127.11177	4.9
129.07001	3.6
131.08519	12.7
133.10100	38.8
135.11671	20.6
135.96062	2.2
137.09641	4.5
137.13225	5.1
139.11186	2.8
143.08557	5.4
145.10052	13.7
147.11659	37.7
149.13239	9.3
151.11169	7.6
157.10120	6.6
158.20343	2.3
159.11650	15.3
161.13220	12.1
163.11072	3.1
163.14787	8.9
165.09140	15.5
165.12703	3.7
171.11560	2.8
173.13237	8.0
175.11084	2.4
175.14771	12.0
177.16289	2.6
179.14294	2.3
185.13269	5.1
187.14815	9.4
189.16373	21.7
191.17950	4.9
199.14804	4.3
201.14775	3.3
201.16422	10.6
203.17911	14.0
205.19362	2.2
207.17448	13.1
209.11604	2.7
212.02364	2.2
213.16391	2.7
215.17975	5.8
217.19452	3.4
219.17415	5.0
221.19022	2.5
229.19531	3.4
257.17480	3.3
293.22409	2.1
324.49539	2.1
373.50107	2.1
391.33490	3.2
409.34677	20.1
413.21039	2.4
427.35803	12.9
445.24088	4.4
445.29510	23.5
445.36667	100.0
446.36856	2.6
464.26294	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3671
Annotation	2alpha,3alpha,19alpha-Trihydroxy-28-norurs-12-ene
Peak:m/z	Relative Intensity
50.47729	2.3
53.03952	2.1
55.01854	2.5
55.05503	12.3
57.03422	2.4
57.07065	4.1
61.39590	2.1
67.05498	18.4
69.03408	4.0
69.07056	25.7
70.78139	5.9
71.04979	6.2
79.05484	10.8
81.03439	3.0
81.07051	33.3
82.45607	2.7
83.04980	3.7
83.08632	9.8
85.02917	2.6
85.06532	3.0
91.05430	12.5
92.45287	2.2
93.07030	29.9
95.04964	3.9
95.08594	51.1
96.09029	2.1
97.02873	2.8
97.06503	4.6
97.10183	3.4
99.08090	6.1
105.07011	25.5
107.05029	2.4
107.08580	46.8
109.06567	4.2
109.10140	31.5
110.10519	2.2
111.08109	3.7
111.11717	4.4
117.07005	4.8
119.08563	45.0
121.10137	34.0
123.08100	4.5
123.11676	19.0
125.09652	2.9
127.03847	2.3
127.07597	2.8
127.11239	3.1
131.08545	11.9
133.10117	44.9
133.11070	3.1
135.08110	2.0
135.11670	38.8
137.09666	2.3
137.13300	8.7
143.08618	4.7
145.10089	14.5
147.11668	29.1
149.13246	15.6
151.11188	5.8
155.08510	2.6
157.10130	6.6
159.11662	14.6
161.13229	12.4
163.14830	8.6
167.14290	16.3
171.11746	6.0
173.13330	7.1
175.11180	4.3
175.14847	17.7
176.15228	2.3
177.12680	3.2
177.16423	8.6
185.13261	4.3
187.14801	11.1
189.16359	59.7
190.16780	2.4
191.10594	3.4
191.17978	4.4
195.17462	6.5
199.14848	4.8
201.16409	9.0
203.17871	13.8
205.15869	5.3
207.17416	57.0
213.16409	6.6
215.17950	4.1
219.17455	2.7
241.19481	3.2
249.22209	3.8
269.22598	27.5
287.23627	34.4
313.55481	2.4
348.18161	2.5
399.36166	2.7
409.29700	2.9
409.34698	32.0
413.30441	2.3
427.35919	39.0
445.20612	3.8
445.29742	15.7
445.36871	100.0
446.37192	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3672
Annotation	Fruticoside A
Peak:m/z	Relative Intensity
55.05502	16.9
57.07068	8.6
63.15588	1.3
63.38778	1.5
67.05495	18.5
69.06705	2.4
69.07059	27.3
71.04989	2.9
71.08619	4.5
79.05487	14.8
81.03399	5.1
81.07049	43.0
83.08608	21.9
91.05457	7.3
93.07038	34.7
95.04948	3.1
95.08590	52.1
96.08958	1.6
97.06510	2.9
97.10152	10.2
98.21116	8.4
105.06999	10.6
107.08581	50.7
109.06519	6.7
109.10146	34.0
111.11698	3.5
113.06015	1.4
119.08556	15.3
121.10133	31.4
123.08042	21.7
123.11700	18.4
125.09634	2.6
125.13287	3.1
131.08604	2.8
133.10107	10.6
135.08072	1.9
135.11681	20.1
137.09622	6.3
137.13264	9.8
141.09071	2.4
145.10133	5.8
147.11710	7.8
149.09549	3.7
149.13242	25.9
151.10080	1.4
151.11192	6.2
155.64317	1.5
157.10135	2.6
159.11705	9.1
161.13222	14.0
163.11159	2.1
163.14793	21.2
165.09094	14.6
165.12759	2.7
171.11749	2.3
173.13248	4.8
175.14806	5.0
177.12762	8.6
177.16339	4.9
179.14299	2.5
187.14841	4.6
189.16412	3.6
193.12195	3.1
195.13742	11.5
201.16391	4.2
202.17061	1.7
203.14325	2.6
205.15822	1.6
205.19524	2.9
209.15320	2.1
217.19505	3.2
219.21147	1.8
221.15373	5.1
231.21074	2.8
233.22610	15.1
273.25653	1.6
285.22476	1.9
285.25815	5.3
303.23215	3.9
303.26752	3.5
313.03894	1.4
331.26611	1.8
343.26352	2.5
357.27713	2.0
385.34775	2.3
409.34665	5.4
427.35733	70.4
428.35883	4.0
445.20294	8.4
445.36737	100.0
446.20721	4.1
446.37094	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05265	0.6
55.05504	9.5
57.03423	0.5
57.07062	5.4
59.11627	0.4
62.43153	0.4
65.03904	0.5
67.05489	5.4
69.07056	17.2
69.56080	0.9
69.56487	3.2
71.04991	0.6
71.08627	2.4
79.05481	1.4
81.06575	0.7
81.07040	9.8
83.04961	1.0
83.08606	10.0
85.10203	1.0
91.05460	1.8
93.07027	3.4
95.04951	0.7
95.08591	7.0
97.10164	4.9
105.07045	2.4
107.08586	4.5
109.10143	7.5
111.08040	0.6
111.11706	2.3
117.07010	0.9
119.08558	4.2
121.06463	1.9
121.10125	3.7
122.07278	1.6
123.08047	0.6
123.11681	2.1
125.05997	0.6
125.13235	1.0
128.06166	0.4
131.08563	1.0
133.10120	2.5
133.37154	0.5
135.08032	2.2
135.11696	1.9
136.08760	1.5
137.05984	0.5
137.09583	10.0
137.13240	1.0
139.07516	1.6
143.08505	0.6
145.10101	1.5
147.08008	0.6
147.11658	1.4
149.09592	7.5
149.13237	1.5
150.48013	0.4
151.07443	1.1
151.14828	0.8
155.75331	0.4
157.10089	0.5
159.11679	1.4
160.08800	0.5
161.09531	1.1
161.13139	0.6
162.06738	0.9
163.07568	0.5
163.11176	6.1
163.14828	0.8
164.08350	3.0
165.09087	100.0
166.09483	1.0
171.11688	1.0
173.09610	1.6
173.13242	0.7
174.66748	0.4
175.07547	0.5
175.11150	3.7
175.14804	0.9
176.08253	0.8
177.09093	5.1
177.12674	0.7
177.16396	0.6
179.10677	1.1
185.13321	0.6
187.11168	1.6
189.09079	1.7
189.12692	1.5
190.09914	0.8
191.10654	4.8
193.12285	0.6
199.11148	1.3
201.09178	0.5
201.12733	1.7
202.09798	0.7
203.10661	4.4
203.14250	1.8
205.12228	7.7
210.50298	0.4
213.12703	0.5
216.11589	0.7
217.12134	1.2
219.13776	2.0
227.14384	0.5
231.13742	2.4
233.15297	0.7
245.15298	0.5
251.69392	0.5
258.99390	0.5
273.18307	0.5
275.20123	0.7
289.21481	1.3
301.21597	0.6
303.22971	0.5
305.24759	1.0
331.26117	0.6
345.27814	1.3
399.32285	0.7
409.34647	0.7
415.15491	0.7
427.35587	9.8
428.36404	4.1
429.16486	0.6
445.20065	4.3
445.36664	7.2
446.20544	1.3
446.37283	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.3
57.07060	1.0
57.62205	0.4
67.05483	0.5
69.07059	3.4
69.70881	2.7
71.08604	0.7
81.07027	2.2
83.08574	1.7
93.07003	1.2
95.08572	2.3
97.10137	1.1
98.21499	0.8
105.07011	1.0
107.08550	1.1
109.10104	1.6
119.08533	0.9
121.10121	0.7
123.11671	0.6
133.10078	0.7
137.09544	0.8
145.10080	0.6
149.09572	1.1
163.11111	0.7
163.14845	0.5
165.09082	13.2
165.10463	0.7
177.09042	0.9
191.10568	1.5
194.03520	0.4
203.10674	0.7
205.12167	1.6
219.13892	0.6
360.14505	0.7
370.13052	0.6
371.13177	0.7
372.13879	1.0
373.14572	2.2
374.14838	0.5
386.15195	1.7
387.11484	0.5
387.15979	4.9
388.16711	2.3
389.17218	1.2
393.03198	0.5
399.16293	0.7
400.12521	0.7
400.17093	0.9
401.12918	0.8
401.14496	0.8
401.17914	4.2
402.13525	0.5
402.18625	3.1
403.19385	2.3
414.14526	1.3
415.15128	8.6
416.15045	2.6
416.19882	1.5
417.16565	2.4
417.20587	2.8
418.21082	1.1
427.35651	2.8
428.36276	1.3
429.16980	6.2
430.17456	9.8
431.18057	4.2
444.18762	1.2
445.19943	100.0
445.36450	2.7
446.20584	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2943
Annotation	Foetidinol
Peak:m/z	Relative Intensity
53.65829	2.0
55.01867	3.7
55.05510	16.2
57.03417	2.4
57.07072	2.5
59.04970	3.4
61.53125	1.9
65.03913	2.9
67.05503	18.4
67.25661	1.7
67.34103	1.8
69.03405	4.5
69.07064	13.5
69.39999	7.3
69.40425	11.4
71.04962	8.1
78.62298	2.3
79.05483	20.2
81.03399	7.8
81.07042	38.2
83.04952	8.0
83.08609	8.8
85.06519	6.1
88.66602	1.9
89.27823	1.9
91.05424	22.5
93.07027	29.8
95.04948	18.0
95.08038	3.3
95.08598	39.1
97.02861	3.4
97.06517	5.3
97.10162	5.2
99.04429	4.9
99.08024	2.1
101.05998	3.9
105.07015	33.1
107.04922	5.4
107.08582	44.8
109.06501	6.8
109.10146	18.6
111.08055	5.7
112.99987	2.9
117.07026	10.1
119.08564	42.0
121.06508	6.8
121.10123	21.2
123.08042	13.2
123.11691	10.8
125.09622	6.2
127.03851	2.2
127.07512	2.8
129.06989	5.5
131.08545	22.5
133.10106	35.3
135.08022	7.9
135.11665	17.0
137.09572	6.5
137.13217	2.3
139.07515	2.6
139.11163	7.1
141.06999	2.5
142.07703	3.9
143.08536	12.7
145.10098	26.2
147.08029	5.7
147.11670	24.0
149.09579	7.0
149.13203	7.5
151.07513	3.7
151.11122	5.4
153.12677	2.5
155.08464	4.5
156.09338	3.5
157.10120	17.6
159.08035	5.8
159.11673	25.4
161.09619	6.7
161.13240	15.2
163.11154	18.3
163.14801	6.1
165.09103	4.9
165.12798	2.5
167.06961	3.2
167.08499	2.6
167.10672	2.1
169.10100	7.9
170.10974	3.3
171.11682	12.5
173.09610	4.9
173.13220	17.5
175.11150	8.9
175.14792	6.9
177.09099	2.4
177.12712	5.0
177.16312	2.6
179.10645	3.5
181.10034	4.6
181.12244	17.4
183.11708	10.9
185.09593	3.3
185.13197	9.0
187.11133	4.4
187.14754	12.9
188.15108	2.6
189.12717	8.4
189.16353	4.9
191.10661	5.8
191.14296	7.5
193.12215	5.0
195.11667	6.0
197.13203	7.7
199.11128	2.9
199.14819	3.9
201.12737	5.9
201.16377	6.0
203.14244	7.1
203.17856	4.0
205.12251	2.3
205.15869	9.6
207.11758	4.2
207.13760	6.5
209.13257	5.1
211.14781	8.1
213.12721	2.2
215.14297	4.7
219.13707	8.3
221.13312	4.0
223.14818	7.6
225.16364	5.0
227.14293	3.8
227.17831	2.1
229.15805	6.2
231.13823	2.2
233.13252	2.5
233.15309	3.6
237.16393	3.8
239.17517	2.4
241.15884	4.2
243.17436	4.1
247.14723	2.3
247.16907	7.9
249.16339	3.4
251.18044	2.7
253.15761	2.4
271.16754	2.7
275.17972	2.8
281.18970	2.9
302.12579	2.1
321.22058	3.3
349.25092	5.4
353.24710	2.9
359.02847	2.3
363.26709	5.3
367.26312	6.0
369.24048	5.9
371.25729	3.3
373.25275	4.7
381.27847	13.5
383.25671	2.4
385.23706	4.5
389.26852	3.4
391.26279	26.7
399.28793	4.2
409.27286	100.0
410.27637	2.4
427.28268	65.8
428.28680	4.7
445.29236	47.3
445.34491	4.3
467.04480	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2943
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
53.03920	2.3
55.01861	2.9
55.05503	12.0
57.03410	2.1
57.07043	1.8
65.03913	2.4
67.05494	30.0
69.03403	1.4
69.06724	0.7
69.07056	10.0
69.98059	0.4
70.88994	1.0
71.04983	3.7
79.05481	25.8
81.03383	2.3
81.07046	32.4
83.04963	3.6
83.08601	5.8
85.02845	0.7
85.06524	1.2
91.05460	35.8
92.05753	0.8
93.07027	27.0
95.04945	5.4
95.08591	24.6
96.99097	0.5
97.06513	2.9
97.10161	4.2
99.04430	0.6
99.08068	1.4
103.05442	2.2
105.04498	0.6
105.07014	32.6
107.04953	3.8
107.08578	17.6
109.06525	3.5
109.10143	9.7
111.08054	2.3
111.11686	0.7
111.62354	0.5
115.05405	1.5
116.06219	0.9
117.07000	16.1
119.04913	0.6
119.08559	23.8
120.08894	0.7
121.06469	3.9
121.10112	10.6
123.08060	3.7
123.11665	4.1
125.09578	1.5
127.11165	1.5
128.06206	3.0
129.06987	11.5
130.07729	1.7
131.08546	26.3
132.08937	0.6
133.06450	2.5
133.10114	13.9
135.08040	3.3
135.11667	6.1
137.05920	0.7
137.09586	2.2
137.13235	1.0
139.07549	0.7
139.11186	1.0
141.06953	4.6
142.07726	1.9
143.07451	0.9
143.08539	12.1
144.09329	0.8
145.06441	1.9
145.10101	19.1
147.08002	2.9
147.11682	6.9
149.09573	2.5
149.13264	3.0
151.07520	1.2
151.11147	1.2
153.06888	0.6
155.08521	5.6
156.09325	0.8
157.10104	7.3
158.10905	0.7
159.08034	1.5
159.11679	8.1
161.09599	2.2
161.13200	4.0
163.11162	2.4
163.14769	1.6
167.08551	1.8
168.09297	0.9
169.10068	4.3
171.07979	0.8
171.11647	6.3
173.09695	1.2
173.13258	3.7
175.11169	1.1
175.14818	2.0
177.12714	1.3
179.14337	0.8
181.10091	2.6
183.11646	3.7
185.09615	1.2
185.13245	3.6
187.11174	0.9
187.14786	3.6
189.12682	1.0
189.16331	2.7
191.10565	1.1
191.14287	0.9
191.17831	0.8
193.15887	0.6
195.10136	0.6
195.11638	3.1
195.13330	0.6
197.13210	3.4
199.11014	0.5
199.13133	0.5
199.14841	2.9
201.12708	1.1
201.16344	2.0
203.14204	1.4
203.17888	0.7
205.12148	0.8
205.15862	1.7
207.11795	0.6
207.13803	0.6
209.13361	2.5
211.14740	2.6
213.12752	0.8
213.16319	1.5
215.14258	1.4
215.17999	1.0
217.15895	1.0
219.13730	1.1
219.17410	0.9
221.13213	0.6
223.14772	1.9
225.16302	1.2
227.14264	0.7
227.17899	1.1
229.15865	1.2
231.14008	0.6
231.21017	1.2
233.15283	1.4
235.14746	0.7
237.16324	1.6
239.14148	0.7
241.15831	1.6
243.17250	0.8
245.15353	0.7
247.16881	2.4
251.17969	0.7
255.17352	0.7
257.15103	0.6
257.18985	0.6
259.16879	1.2
261.18475	1.2
266.32184	0.5
269.18939	0.9
273.18488	1.1
275.20203	0.8
283.15213	0.7
287.19946	0.8
307.24442	0.5
325.25250	1.5
335.23624	3.1
343.26440	3.3
343.29929	0.6
353.24698	10.5
359.02524	0.8
371.25742	9.9
372.26440	0.8
389.26724	11.0
401.26904	0.6
409.26819	1.0
427.27689	4.2
427.36096	1.2
445.29333	100.0
446.29807	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	445.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.1
55.01870	3.1
55.05261	1.1
55.05503	11.6
57.03416	1.2
57.07042	1.3
65.03909	1.4
67.05495	26.9
69.03409	1.3
69.07051	10.1
69.53415	3.4
69.53825	1.1
70.06568	0.6
71.04964	2.8
71.08604	0.7
73.04704	0.7
73.06518	0.9
77.03900	0.9
79.05481	21.0
81.03381	1.7
81.07045	27.2
83.04974	2.9
83.08598	5.6
85.06510	1.7
91.05462	30.9
93.07028	23.3
94.07364	0.9
95.04958	5.0
95.08593	22.2
96.08940	0.7
97.02851	0.9
97.06490	3.1
97.10155	3.0
99.08078	0.8
103.05450	1.5
105.07015	33.2
107.04948	3.2
107.08573	15.9
108.08894	0.7
109.06503	3.6
109.10133	10.3
111.08078	1.8
115.05412	1.2
117.07007	14.7
119.04891	0.8
119.08565	21.4
121.06483	3.5
121.10119	13.6
122.28474	0.7
123.08059	4.0
123.11671	3.3
125.06010	0.7
125.09596	1.7
127.11165	2.1
128.06183	1.9
129.06973	9.8
130.07761	0.7
131.08548	23.5
132.08974	0.8
133.06497	1.2
133.10112	14.4
135.08011	2.0
135.11671	6.4
136.12016	0.7
137.09608	1.7
137.13225	1.4
141.06952	3.2
142.07820	1.4
143.08531	12.1
145.06464	2.2
145.10098	15.6
147.08020	2.5
147.11681	5.8
149.09589	2.4
149.13231	2.3
151.11195	1.0
153.06877	0.9
155.08492	5.2
157.06448	1.3
157.10115	7.9
159.08089	1.3
159.11661	8.6
161.09602	2.5
161.13229	4.6
162.13649	0.6
163.11160	1.8
163.14828	1.3
165.12703	0.8
167.05515	0.8
167.08533	1.5
168.09320	0.8
169.10091	4.4
171.07922	0.7
171.11665	4.8
173.09630	1.0
173.13260	4.5
173.23604	0.6
175.11174	1.8
175.14815	2.2
177.12711	1.3
177.16382	0.9
181.10054	3.2
183.11674	4.2
185.09631	1.0
185.13234	3.9
187.14766	3.7
189.12692	0.9
189.16376	4.3
191.14288	0.7
195.11700	2.4
195.13597	0.9
197.13242	3.9
199.11143	1.3
199.14845	2.6
201.12709	1.0
201.16426	3.8
203.14479	0.8
203.17897	1.1
205.12219	0.7
205.15942	0.9
207.13696	1.0
207.17479	1.1
209.13237	2.1
211.14783	2.1
213.12682	1.3
213.16327	0.9
215.14336	1.8
215.17796	0.9
217.15964	1.7
219.13707	0.9
223.14795	1.2
223.16895	1.0
225.16347	2.3
227.14365	0.8
227.17815	1.3
229.15854	1.2
231.17291	1.0
233.15408	1.4
235.14842	0.8
237.16383	1.0
239.13904	0.6
241.15880	1.1
243.17299	0.8
247.16872	1.5
255.17444	1.4
259.16943	1.3
261.18494	1.6
269.18753	0.8
270.39520	0.6
271.16873	0.7
273.18533	1.4
325.25253	1.7
335.23618	4.3
343.26321	3.1
353.24658	10.5
353.28864	0.7
359.02719	0.7
371.25711	11.0
389.26883	12.2
390.27228	0.7
399.32565	0.7
409.26559	1.0
409.30991	2.3
409.35455	0.8
427.28232	2.9
427.32605	1.4
445.29404	100.0
446.29739	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	445.2943
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
51.43679	1.3
53.03928	3.1
55.01861	3.0
55.05503	15.9
55.63573	1.3
57.03448	2.5
57.07066	4.4
58.89447	1.4
59.05000	2.0
63.33857	1.3
64.58379	1.4
65.03946	2.5
67.05495	24.9
69.03416	7.0
69.07060	19.3
69.39738	13.4
71.04960	7.4
75.47667	2.2
79.05486	19.2
79.77258	1.5
81.03404	6.3
81.07051	36.5
83.04961	9.8
83.08614	6.1
85.02884	1.7
85.06542	13.2
89.04006	1.5
91.03959	1.6
91.05459	21.4
91.05906	1.5
93.07037	46.7
95.04939	8.9
95.08596	56.9
96.36532	1.5
97.06512	7.3
99.04430	8.3
99.08083	2.0
101.05991	9.7
105.07018	36.8
107.04950	5.8
107.07851	3.3
107.08581	63.5
108.20394	1.5
109.06494	8.5
109.10139	57.7
111.08049	7.6
115.07616	2.2
117.06983	8.3
118.40860	1.6
119.04932	1.6
119.08568	45.7
121.06509	8.5
121.10123	46.3
123.08060	10.6
123.11700	11.2
125.05980	3.2
125.09637	4.6
127.07562	2.6
128.06247	1.9
129.07013	3.6
131.08556	19.9
133.10117	56.1
135.08040	46.5
135.11679	57.0
137.06044	2.6
137.09621	4.9
137.13264	4.7
139.07524	3.1
139.11166	1.7
142.07747	1.9
143.08568	9.4
144.09367	2.9
145.06548	1.8
145.10098	27.4
147.08052	4.9
147.11667	28.8
149.09599	14.6
149.13246	33.4
151.07533	2.6
151.11192	4.2
153.09132	4.6
155.08557	3.0
156.09276	2.1
157.10106	13.2
158.10985	2.4
159.08060	3.4
159.11673	80.6
160.12108	1.6
161.09607	11.6
161.13232	13.7
163.07535	7.6
163.11159	11.6
163.14857	6.4
165.09128	3.3
165.12773	3.4
169.10144	4.0
170.10957	1.9
171.11659	11.5
172.12440	2.3
173.09671	6.2
173.13235	82.8
174.13602	2.2
175.11209	14.0
175.14780	8.0
177.09114	2.8
177.12732	30.8
179.10686	4.1
179.14275	1.9
181.10042	1.9
181.12215	2.8
183.11729	6.9
185.13213	7.2
187.11235	2.7
187.14795	14.5
189.12787	8.7
189.16324	11.7
191.10689	4.5
191.14284	28.4
192.04465	1.8
193.10701	2.1
193.12196	10.6
195.11984	2.6
195.13786	28.4
197.13309	4.5
199.11095	2.3
199.14850	5.5
201.12746	9.8
201.16383	3.6
203.10675	5.0
203.14325	3.8
203.17888	3.1
205.12267	5.8
205.15854	11.0
207.13869	4.4
209.13409	3.4
209.15315	24.0
211.14822	3.3
213.12715	3.6
213.16309	3.0
215.14348	2.1
215.18150	1.6
217.15912	3.8
219.13765	38.8
221.11569	7.2
221.15260	2.5
225.16519	3.2
227.14442	2.8
227.17903	2.2
229.15916	1.7
231.17513	4.5
233.15381	2.7
235.16965	1.8
237.14757	11.0
239.12613	7.5
241.19566	1.8
242.40790	1.5
243.17590	2.7
245.15382	3.6
247.17102	2.2
255.15964	3.4
259.16824	1.9
263.16379	2.1
287.19986	1.6
315.19705	1.9
319.19357	1.7
333.20795	1.7
359.02585	2.4
363.26877	2.3
367.26453	3.5
381.27686	11.9
385.27341	5.4
389.23087	28.1
391.26355	6.8
399.29007	12.5
403.24939	5.6
409.27298	20.8
409.31769	1.2
417.30106	2.1
427.28394	100.0
428.28824	4.5
445.29532	74.9
446.30106	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	445.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03934	1.3
55.01842	2.8
55.05500	11.8
57.03422	1.9
57.07057	1.5
59.04977	1.5
65.03914	2.3
67.05164	1.3
67.05495	16.2
69.03393	2.7
69.06763	0.9
69.07060	8.4
71.04963	3.6
79.05480	12.0
81.03397	2.2
81.07047	38.5
83.04987	5.6
83.08591	3.7
85.02869	1.7
85.06522	4.4
90.27157	1.0
91.05434	13.0
93.06462	1.8
93.07031	33.7
95.04935	3.7
95.08593	55.7
96.98020	1.0
97.02879	1.4
97.06507	5.0
97.10169	2.5
98.21487	3.2
99.04432	5.6
99.08052	1.9
99.54716	0.9
100.15109	1.0
101.05988	6.0
105.07017	19.9
107.04909	1.2
107.08578	44.7
109.06500	6.5
109.10133	19.3
111.08060	4.1
115.07522	1.4
117.06984	6.6
119.08568	40.2
121.06512	5.5
121.10126	23.7
123.08074	8.2
123.11662	6.4
125.09635	2.3
127.07527	1.9
129.06944	3.6
131.08549	13.6
133.06444	1.2
133.10118	33.8
135.08043	11.1
135.11670	46.7
136.12073	1.5
137.09578	2.9
137.13176	1.1
139.07556	2.1
141.06915	1.8
142.07744	1.2
143.08525	5.4
143.63275	0.9
144.09329	1.5
145.06377	1.0
145.10109	17.1
147.08005	4.9
147.11659	13.8
149.05971	1.2
149.09593	7.7
149.13235	24.7
151.07489	2.7
151.11121	2.7
153.09061	4.8
155.08490	3.1
156.09303	1.2
157.10135	7.3
159.08058	2.2
159.10443	1.8
159.11673	25.0
161.09595	8.5
161.13214	8.1
163.07550	2.3
163.11205	9.3
163.14813	5.3
165.09029	3.0
165.12700	1.1
167.10619	2.5
169.10045	2.0
171.11624	5.6
173.09583	3.0
173.13251	15.6
175.11122	5.4
175.14786	8.8
177.12720	100.0
178.13034	2.4
179.10591	2.7
181.10007	0.9
183.11714	4.4
185.13222	3.7
187.11113	1.6
187.14742	5.1
189.09009	3.1
189.12669	2.3
189.16307	4.1
191.10657	2.0
191.14270	20.7
193.12238	5.4
195.11903	1.9
195.13776	22.7
197.13141	2.0
199.14758	2.7
201.12659	4.9
201.16382	3.5
203.10611	1.7
203.14253	3.8
203.17886	2.9
205.12102	4.4
205.15883	6.7
207.10149	6.9
207.13699	2.1
209.13533	1.6
209.15326	43.9
210.15659	1.2
211.14806	2.3
213.12549	1.0
213.16344	2.3
215.14301	1.4
215.17824	1.7
217.15759	1.1
219.13765	22.9
219.17172	1.8
221.15221	2.4
221.18846	1.3
225.10965	1.2
225.16489	1.3
229.15771	1.8
229.36362	1.0
231.13715	1.4
231.17502	1.5
233.15289	1.3
237.14787	9.7
243.17439	1.4
247.16922	2.5
255.15775	2.4
259.16824	1.2
261.18488	1.6
301.21503	1.4
321.07074	1.2
339.26620	1.1
353.24643	2.3
359.02792	1.9
367.26318	2.0
371.25632	2.6
381.27802	3.3
383.25461	1.2
385.27359	1.8
389.26871	2.3
391.26138	2.8
399.28833	7.0
401.26721	3.3
403.28464	7.5
409.27063	7.6
417.29877	15.1
427.28183	24.4
428.28995	1.2
445.29291	44.6
446.29681	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	445.2944
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
53.03907	0.5
55.01873	0.8
55.05506	5.2
57.03428	0.8
57.07058	0.5
59.04958	0.4
67.05495	5.3
69.03403	1.5
69.07059	4.9
71.04964	1.6
71.62525	0.8
73.02890	0.5
73.48986	0.4
78.48990	0.6
79.05476	4.2
81.03397	1.2
81.07046	11.3
83.04958	1.8
83.08601	2.1
85.02889	0.9
85.06522	3.1
85.59483	0.5
91.05371	3.8
91.05941	0.6
93.07029	8.0
95.04963	2.1
95.08595	10.5
97.02888	0.8
97.06503	1.4
97.10139	0.9
99.04446	3.9
99.08081	1.3
101.06003	1.3
105.07018	7.2
107.04913	0.9
107.08583	10.0
109.02879	0.8
109.06484	3.0
109.10134	5.9
111.04435	0.8
111.08063	2.8
111.11639	0.5
113.05998	0.6
117.06983	2.4
119.08562	12.7
120.60668	0.4
121.06499	2.3
121.10126	9.4
123.08071	5.0
123.11701	2.0
124.78641	0.4
125.06020	0.6
125.09635	1.8
127.03909	0.5
127.07522	2.0
129.06982	1.3
131.08557	4.8
133.06476	1.3
133.10106	10.5
135.08041	2.7
135.11685	4.9
137.05977	0.7
137.09599	2.2
137.13214	0.9
139.07487	0.7
139.11096	0.9
142.07729	0.6
143.08511	3.0
144.09276	0.5
145.06406	0.5
145.10091	8.7
147.08038	1.4
147.11676	6.3
149.09607	2.1
149.13232	1.9
151.07530	1.9
151.11163	1.5
153.09052	0.8
155.08521	1.3
156.09323	1.0
157.10121	4.9
159.08067	0.8
159.11685	6.5
160.12311	0.4
161.09616	2.6
161.13223	5.5
163.11188	4.7
163.14804	1.6
165.09087	1.1
165.12700	0.7
167.05603	1.1
169.10115	3.2
171.11665	4.3
173.09587	1.9
173.13231	5.2
175.11186	1.8
175.14766	4.4
177.09071	0.8
177.12723	1.9
179.10619	1.1
179.14291	1.5
181.10094	0.8
181.12175	1.7
182.10953	0.7
183.10260	0.6
183.11647	2.5
184.12561	0.5
185.09576	0.6
185.13229	3.4
187.11180	1.3
187.14810	3.6
189.12721	2.5
189.16364	2.1
191.10677	1.8
191.14345	1.1
193.10129	0.6
193.12076	1.2
195.11691	1.3
195.13927	0.7
197.13232	3.0
199.11105	1.1
199.14717	2.2
201.12740	1.4
201.16367	1.4
203.14362	1.9
203.17992	1.2
205.12244	0.9
205.15840	1.0
207.11842	0.7
207.13594	0.9
209.11606	0.7
209.13295	1.9
209.15294	0.7
211.11205	0.5
211.14888	2.1
213.12758	0.6
213.16362	2.0
215.14320	2.0
215.17911	0.9
217.12289	1.0
217.15907	0.6
217.19466	0.5
219.13803	1.5
219.17378	0.7
221.15215	0.7
223.14900	0.9
225.16373	1.5
227.14334	1.2
227.17847	0.8
229.15871	1.6
233.15327	0.7
237.16353	1.3
239.14325	0.6
239.17921	0.7
241.15906	0.8
243.14024	0.5
243.17474	1.2
245.15453	0.6
247.16945	1.1
249.16357	0.7
251.18126	0.9
253.15927	0.9
253.19452	0.5
255.17436	0.6
257.15479	1.1
259.16971	0.6
267.17255	0.8
271.16949	1.0
271.20499	1.0
281.19025	0.5
281.22845	0.5
283.17355	0.5
283.20496	1.1
285.18497	0.6
293.18903	0.7
295.20688	1.3
297.18561	0.9
299.16714	0.6
299.19873	2.6
301.17810	0.7
305.22876	0.6
311.20065	0.7
335.19891	0.6
341.21152	1.5
349.25232	0.5
351.23428	1.1
353.24612	0.8
359.02759	1.3
363.26782	0.7
365.58600	0.6
367.26437	1.2
369.24329	1.2
373.25229	0.9
381.23718	0.5
381.27905	2.0
385.27383	0.8
387.25302	0.8
391.26215	2.9
399.28900	1.0
409.27228	9.2
409.32144	0.5
427.28214	12.6
428.29114	0.5
445.29443	100.0
446.29861	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	445.294
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
52.55056	0.8
53.03934	2.6
55.01847	2.7
55.05500	12.0
57.03414	2.0
57.07050	2.3
65.03936	1.4
67.05492	31.4
67.68481	0.8
69.03410	2.1
69.07058	9.9
70.88042	2.5
71.04992	3.9
79.05480	25.2
81.03385	2.8
81.06575	1.6
81.07043	27.8
83.04969	5.0
83.08614	5.5
85.02889	1.7
85.06518	3.0
91.05455	34.3
93.06460	1.5
93.07029	26.3
95.04944	6.2
95.07964	1.3
95.08585	22.5
97.04722	0.8
97.06499	3.1
97.10151	3.2
98.11933	0.8
99.04430	1.6
99.08045	1.3
101.05998	0.9
103.05444	0.9
105.07013	35.9
106.07369	0.8
107.04951	4.6
107.08575	19.3
109.06498	5.1
109.10143	9.2
111.08066	2.0
115.05447	1.8
116.06190	1.1
117.06996	16.2
119.08561	26.5
121.06490	3.5
121.10111	12.9
123.08050	2.7
123.11658	2.9
125.09592	3.0
128.06190	3.5
129.06982	12.6
130.07753	2.1
131.08551	27.4
133.06419	2.6
133.10104	14.6
135.08049	4.2
135.11650	8.1
137.05937	1.4
137.09589	3.3
141.06886	3.9
142.07765	2.3
143.08537	13.8
145.06453	1.5
145.10109	18.2
147.08011	2.3
147.11703	8.6
149.09598	3.8
149.13193	2.0
151.07568	1.2
151.11182	2.4
154.07806	0.8
155.08525	7.2
156.09372	1.1
157.06500	0.9
157.10110	9.6
159.08043	1.9
159.11684	10.0
161.09599	3.3
161.13181	4.1
163.11134	3.1
167.08510	1.8
169.10075	5.9
169.12183	0.8
171.08133	1.1
171.11646	7.0
173.09564	2.9
173.13156	6.2
175.11179	2.9
175.14807	2.0
177.12721	2.5
177.16267	0.9
181.10071	3.1
183.11671	3.9
185.13199	5.4
187.11113	1.0
187.14732	4.2
189.12726	2.0
189.16335	3.0
191.10651	1.0
191.14265	1.4
193.12083	1.0
195.11670	3.0
196.12546	1.0
197.13184	3.1
199.11206	1.2
199.14807	3.0
201.12683	0.9
201.16385	1.7
203.10579	1.3
203.14305	1.5
203.17908	1.4
205.15811	1.4
207.13760	0.9
209.13257	1.6
211.14796	3.6
213.12737	1.8
215.14400	1.4
215.17657	0.9
217.15808	0.9
219.13689	1.5
223.14861	2.0
225.16371	1.0
227.14371	1.1
227.17868	1.1
233.15349	1.7
237.16364	1.4
239.17992	0.9
241.15904	1.7
243.17390	1.8
247.16914	2.5
255.17355	1.6
259.16986	1.9
261.18521	1.1
273.18420	1.8
325.25201	1.3
335.23657	3.6
336.14661	0.9
343.26221	3.0
353.24683	10.6
367.26099	1.5
371.25726	11.9
381.27664	1.3
389.26822	12.0
391.26266	1.1
409.27188	2.9
427.27701	8.9
445.29355	100.0
446.29791	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01862	2.1
55.05504	14.4
57.03419	1.9
57.07055	2.1
59.04995	1.0
65.03938	1.4
67.05495	30.3
69.03421	2.8
69.07054	10.6
71.04975	3.0
73.04749	1.1
77.07869	0.8
79.05484	27.6
79.05950	1.3
79.13950	1.0
80.70560	0.7
81.03417	4.8
81.06566	1.7
81.07045	29.2
83.04973	4.2
83.08603	6.3
84.43719	1.0
85.02884	1.0
85.06520	3.1
91.05452	34.1
93.07029	29.2
95.04954	6.9
95.08591	22.6
97.02869	0.9
97.06523	3.4
97.10146	3.0
99.04462	2.0
101.06013	1.0
103.05450	1.5
104.06268	0.8
105.03375	1.5
105.07019	35.8
107.04954	5.1
107.08575	18.5
109.06490	3.9
109.10136	11.2
111.08051	2.6
111.85553	0.8
113.09608	0.9
115.05420	1.2
117.07006	15.1
117.07822	0.9
119.08566	25.3
121.06498	5.2
121.10124	13.0
123.08035	2.9
123.11692	2.7
125.05985	1.5
125.09636	1.9
126.73402	0.9
127.11166	1.1
128.06219	2.1
129.06990	11.3
129.34055	1.0
130.07782	0.9
131.08557	26.8
133.06476	2.2
133.10112	18.7
135.08063	4.4
135.11684	8.2
137.05898	0.8
137.09602	2.6
141.06982	4.8
142.07759	2.2
143.08545	12.0
144.09349	1.6
145.06438	2.0
145.10097	19.0
147.08022	3.4
147.11676	9.2
149.09602	3.8
149.13254	3.7
151.07533	1.2
151.11189	2.2
155.08571	6.4
156.09244	1.5
157.10104	10.3
159.08041	2.0
159.11646	10.0
161.09630	3.6
161.13206	4.1
163.11194	4.5
163.12363	0.7
163.14763	1.5
165.09125	1.0
165.12643	1.0
167.05598	0.9
167.08563	2.3
169.10123	6.0
171.08052	1.6
171.11650	7.1
173.09590	1.6
173.13211	6.7
175.11203	2.9
175.14786	4.2
177.12708	3.8
179.10605	0.9
181.10120	3.7
181.12039	0.9
183.11623	4.3
185.13173	4.5
187.11179	2.3
187.14754	3.3
189.12723	3.4
189.16379	2.9
191.14246	1.5
193.12189	2.1
195.10046	0.8
195.11673	3.8
195.13742	1.5
197.13208	5.1
199.11148	1.2
199.14847	3.2
201.12799	1.7
201.16376	1.5
203.14349	3.0
203.18059	1.0
205.12187	1.6
205.15862	1.7
207.13799	2.9
207.17288	1.5
209.13228	2.8
210.26341	0.9
211.14760	3.8
213.12804	1.1
213.16322	1.3
215.14233	2.0
217.15968	1.7
219.13846	2.1
219.17505	1.0
221.13301	1.0
221.15344	1.3
223.14742	1.9
225.16359	1.0
227.14409	1.9
229.15840	1.5
229.45799	1.1
233.15283	1.3
235.16986	1.0
241.15868	1.7
247.16866	2.2
257.15366	1.7
259.16901	2.0
273.18427	1.8
287.19962	1.1
318.73621	0.9
325.25125	2.3
335.23627	3.8
343.26245	2.9
347.25449	1.0
353.20984	1.0
353.24768	10.1
359.02744	1.1
367.26309	1.2
371.25708	10.7
381.27740	2.2
389.26907	12.0
391.26141	2.2
399.28693	1.3
409.26920	4.8
427.27939	8.7
429.11911	1.0
445.29407	100.0
446.29739	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	445.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
53.05268	0.9
53.84486	0.9
55.01866	2.5
56.96555	1.1
57.03428	4.7
61.02911	2.3
67.97585	1.1
69.03415	10.5
69.69640	5.8
71.04963	1.3
72.08124	1.2
73.02917	2.9
73.32042	0.8
81.03403	2.6
84.04532	0.9
85.02895	28.1
86.03240	1.7
86.06060	4.4
87.04451	2.7
91.03942	1.4
91.05799	2.1
97.02884	10.0
98.21600	0.9
98.97571	3.3
99.04448	1.9
101.00865	1.6
101.02363	0.9
104.07098	2.7
104.10738	4.2
106.39748	1.0
109.02883	1.8
116.98579	1.4
119.01910	3.8
127.03893	14.4
128.04179	1.1
130.04950	1.0
131.01926	2.6
143.01839	4.9
145.03400	1.0
145.04964	8.9
152.05597	1.4
153.01804	4.2
155.01831	1.5
157.03429	1.6
161.02925	7.0
173.02942	4.5
174.04469	1.1
175.02733	1.4
175.04402	1.3
178.04958	1.6
183.05013	3.6
183.55119	1.8
184.06380	1.1
185.02934	4.6
187.04655	1.3
192.05600	3.6
197.02982	1.2
201.08725	1.2
202.55634	1.1
203.04065	5.8
203.05653	1.5
205.00095	1.3
205.03754	1.0
215.04004	1.2
219.01500	1.1
227.04028	1.5
234.59525	1.1
237.02751	1.4
242.05501	1.0
242.57843	1.2
245.05057	9.8
245.11363	1.6
246.05328	2.0
247.04784	2.4
256.05005	1.8
259.57828	1.0
263.06110	3.3
264.07544	4.1
264.57858	1.2
265.02148	1.2
265.05606	1.6
272.06573	1.7
273.08148	11.0
273.58328	6.7
274.08163	1.7
274.57758	7.1
275.05899	1.3
281.07126	1.7
284.06497	2.3
293.07202	1.7
297.04575	1.1
305.07086	1.4
314.10706	1.6
315.11591	1.4
321.10291	2.1
365.09372	3.1
366.09491	1.3
425.11234	2.7
445.11124	29.3
445.18246	100.0
446.14236	5.8
446.18942	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02425	0.3
53.03918	0.8
55.01850	0.5
55.05491	0.8
57.03430	2.3
59.04966	0.7
60.04501	0.7
61.02917	0.5
65.03920	0.8
69.03418	3.3
69.07041	0.4
71.04977	2.8
71.10770	1.0
73.02911	0.5
73.04736	0.8
79.05469	0.9
81.03403	5.2
83.04955	1.3
85.02891	5.3
85.06530	3.3
86.09705	0.8
87.04482	0.6
91.05399	6.4
93.07020	0.7
95.04955	1.2
95.08559	0.5
97.02887	2.5
97.06482	0.4
99.04420	1.4
101.02368	0.4
101.05989	0.6
105.03416	0.6
105.07018	1.0
106.26319	0.4
107.04933	0.7
107.08586	0.7
109.02879	3.3
109.06434	0.7
109.10154	0.7
110.06081	0.6
111.04427	1.6
111.08121	0.5
113.05974	0.5
114.05519	0.5
117.05507	0.6
119.04924	18.0
119.08553	0.7
120.67304	0.4
121.02851	0.8
121.10143	0.5
122.86566	0.4
125.05957	0.5
125.09650	0.5
127.03919	2.5
127.07542	1.2
129.05493	0.5
131.07028	2.2
132.07347	1.4
133.10120	0.7
135.07974	0.5
135.11716	0.5
137.05959	2.0
137.08118	0.6
138.09131	0.6
140.07007	0.4
145.04945	0.7
145.08571	3.8
145.10159	0.7
146.08893	1.1
147.04388	100.0
148.04694	1.9
149.05963	0.5
149.09550	0.7
153.01790	2.1
159.04283	0.4
159.11702	0.6
161.05966	0.5
162.05389	0.5
163.07440	0.6
165.05464	4.1
167.05685	0.7
167.07034	1.1
170.06303	0.8
172.11241	0.7
177.05492	1.0
181.04942	0.9
207.07750	0.8
230.15387	2.3
248.16249	0.4
248.60150	0.4
255.08572	0.8
265.10706	0.5
265.17950	1.9
283.12057	0.5
291.08640	2.5
304.08173	0.5
306.13452	0.5
309.09647	5.5
324.14246	0.6
359.02719	1.2
392.16388	0.9
427.14557	1.0
445.15607	4.0
469.67886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05485	1.1
57.03413	1.9
59.06107	0.7
61.02892	0.9
65.03915	1.0
67.05458	0.5
69.03419	2.8
70.06583	0.8
71.04975	1.9
71.41950	1.3
73.02895	0.9
78.55413	0.5
79.05462	0.5
81.03410	4.8
81.07047	0.8
83.04960	2.6
85.02895	4.4
85.06525	2.5
91.05398	5.1
95.04932	1.2
95.08589	0.6
97.02868	2.4
99.04458	1.2
101.05991	0.7
105.07038	1.1
107.04948	0.7
107.08557	1.2
109.02881	4.0
109.06509	0.8
110.06084	0.8
111.04405	1.5
113.05982	0.6
117.06957	0.7
119.04925	17.1
119.08564	1.0
121.02858	0.9
127.03868	2.1
127.07494	1.0
129.05475	0.8
131.07014	2.2
132.07338	1.0
135.04366	0.8
135.11847	0.5
136.07654	0.5
137.05946	2.1
137.08350	1.2
138.09172	0.5
138.91713	0.6
145.04976	0.7
145.08571	3.8
146.08835	0.6
147.04387	100.0
148.04729	1.2
149.05954	0.7
150.14061	0.5
151.07483	0.5
153.01779	3.2
165.05432	4.4
167.05542	0.9
167.07051	1.2
170.06378	1.3
171.96846	0.6
175.07571	0.7
177.05400	1.0
177.07628	0.6
181.04872	0.9
189.12761	0.6
193.08534	0.6
199.00595	0.5
207.07597	0.8
212.14204	0.6
230.15393	4.9
265.10806	1.2
265.18155	1.4
291.08533	2.5
306.13547	0.6
309.09622	6.0
316.12943	0.6
359.02945	1.6
427.15753	1.0
445.15582	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.11
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72819	2.3
60.86733	2.2
62.94955	2.4
69.03423	2.7
69.87114	5.8
69.87511	7.8
85.02901	9.2
90.88892	2.6
97.02885	3.2
98.20790	3.1
127.03912	3.4
139.95860	2.1
165.05502	1.9
219.54416	2.2
321.10257	2.4
445.11124	100.0
445.17499	5.8
446.11450	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	444.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.21486	1.2
55.01852	1.2
56.05015	1.0
57.03413	2.5
58.06583	3.0
61.02911	1.2
65.71910	0.8
67.05495	1.9
69.03423	8.7
70.06580	2.3
71.04979	39.4
71.61618	1.9
72.04506	1.1
74.06077	1.3
77.50894	1.0
81.03399	5.9
81.07048	1.3
83.04964	1.6
84.04516	1.1
85.02891	11.1
85.06523	6.8
91.03965	0.9
92.62111	1.2
95.04937	3.5
97.02864	6.6
99.04428	2.5
101.53573	0.9
105.03410	1.4
105.07016	1.7
107.04897	1.0
107.08601	1.5
109.02866	5.8
109.03483	0.8
109.06492	1.2
109.10136	2.8
113.05984	4.7
114.05499	2.7
115.03905	1.6
119.04927	2.7
119.08591	1.1
121.10133	1.1
122.06039	0.9
123.08028	1.2
124.03868	1.1
127.03891	5.6
127.07529	20.5
131.07021	5.2
133.10022	1.6
135.08003	1.2
137.09604	2.0
138.67220	0.9
141.05383	1.4
145.04933	3.5
145.08571	100.0
146.08888	1.7
147.04372	8.9
150.09090	1.3
153.01813	1.6
155.06985	3.1
161.09563	1.4
163.05974	1.2
167.05559	1.2
167.06918	1.4
173.08025	1.5
175.11226	0.9
177.12737	1.0
187.06026	1.6
187.11343	1.0
191.09116	3.3
204.08629	1.1
205.07001	1.1
205.12137	1.5
205.94240	0.9
218.05675	1.6
223.13373	1.0
232.04823	1.1
246.05090	1.7
246.14955	1.7
257.10187	3.0
264.15909	4.7
282.14172	1.1
282.16919	5.4
299.11316	2.8
317.12241	18.0
335.13306	36.3
336.13763	1.7
359.02832	1.3
370.67987	1.1
381.11819	1.1
391.15958	1.4
409.17038	1.2
444.22559	8.8
445.16098	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05503	0.7
57.03427	9.9
61.02913	0.6
67.05497	0.9
69.03421	4.3
70.06574	1.0
71.04981	35.0
71.61990	1.0
73.02898	0.8
73.86520	0.5
76.88020	0.5
79.05443	0.9
81.03415	3.7
81.07037	0.8
83.04974	0.6
84.29597	0.6
85.02890	5.1
85.06527	5.0
91.05424	1.1
93.07032	0.8
95.04928	1.4
95.08631	0.6
97.02882	5.6
99.04430	2.9
103.03909	0.8
103.07530	0.8
105.07005	0.6
105.85699	0.7
107.08580	0.8
109.02871	3.0
113.05971	5.0
115.03823	0.6
117.05485	3.1
119.04919	3.7
119.08595	1.1
124.07619	0.6
125.02268	0.7
127.03934	4.4
127.04736	0.9
127.07537	18.2
128.07860	0.6
130.08630	1.1
131.07024	31.0
137.05975	1.1
141.05411	1.0
145.08577	100.0
146.08888	1.2
147.04384	15.7
153.01793	2.3
159.06522	1.5
167.05568	0.8
170.06407	0.7
173.07982	3.2
177.07579	3.8
181.04919	0.7
183.06584	0.8
191.09120	18.0
191.10805	1.0
192.09406	0.5
196.07841	0.7
208.05983	0.5
208.63896	0.6
231.33968	0.6
247.11707	0.8
248.42244	0.6
256.11093	0.7
261.09598	1.3
275.11307	0.7
303.10544	1.0
306.21948	0.6
317.12274	2.5
321.11649	1.2
335.13281	8.2
391.15897	5.2
409.17133	1.4
444.14020	0.7
445.16394	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01854	0.5
55.05496	1.1
57.03428	48.2
58.03774	0.5
59.04998	4.3
69.03408	3.4
70.03159	2.5
71.04972	2.1
73.04788	0.5
73.06550	0.6
74.06061	1.4
74.09672	0.4
75.05573	0.4
81.03414	3.3
83.04956	0.6
85.02892	4.4
89.06018	3.3
91.05465	1.3
97.02890	5.0
99.04448	9.7
99.55894	0.6
101.06029	0.5
107.07051	1.0
109.02844	3.5
114.05562	0.5
115.07547	1.6
117.05482	15.2
120.08080	0.5
127.03899	5.4
127.58582	0.4
129.05463	1.6
131.07022	100.0
132.07256	0.7
132.08127	1.1
141.05443	1.7
143.07021	6.3
145.04951	1.2
147.04434	0.6
150.09129	1.4
153.01825	1.1
159.06499	5.4
161.08061	1.0
173.07941	0.7
174.07607	0.7
177.07558	13.9
197.08116	0.9
215.09042	0.6
243.08481	0.6
247.11864	0.7
251.11313	1.2
275.11197	1.8
281.35638	0.5
285.09695	1.3
303.10629	3.2
305.12146	0.5
321.11713	6.2
373.15002	1.6
391.15842	6.1
409.16861	1.7
444.22269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09210	0.5
55.01874	0.6
55.05502	0.9
67.05492	1.3
69.03395	0.7
69.07056	1.3
70.68084	1.5
79.05452	0.9
81.07035	2.1
83.04948	0.7
84.04485	0.6
85.06522	0.6
91.05413	0.6
93.07035	1.7
95.08607	2.6
97.06520	0.6
98.21532	0.5
99.08080	1.2
105.07014	1.5
107.08594	2.1
109.10143	1.7
111.08084	0.7
117.06990	0.8
119.02472	0.5
119.08572	2.3
120.08906	0.8
121.10135	1.1
122.10488	0.8
125.09608	0.5
128.06192	0.5
131.08578	0.7
133.10089	1.2
135.07999	0.8
135.11682	0.8
140.04927	1.3
145.10126	1.8
146.10500	0.6
147.11656	1.0
148.08388	0.6
151.07550	0.6
154.06468	1.2
155.06015	10.2
157.10129	0.8
159.11653	0.8
160.12067	0.6
161.09622	0.6
165.09145	1.4
166.09488	0.6
167.06027	2.2
168.06769	1.2
169.07585	21.6
170.05992	1.5
171.11749	0.6
175.14822	0.8
179.05971	6.2
180.06729	0.6
181.07561	1.9
182.05992	1.0
182.08386	1.1
183.05522	12.2
183.09143	1.4
184.07660	0.5
185.07098	5.8
185.13185	0.7
193.07574	7.1
194.06020	1.8
195.05498	15.0
196.06285	9.1
197.07060	16.4
197.13173	0.5
198.05476	4.2
198.07106	0.7
199.05011	0.6
201.06572	1.6
203.14235	0.6
205.07654	0.7
207.05515	4.9
208.06296	1.1
209.07043	2.9
210.05464	0.5
210.07933	0.8
211.05067	1.3
211.08676	4.0
213.06548	14.5
221.07054	13.5
221.09163	0.8
222.07658	1.0
223.04951	1.3
225.06560	31.2
226.06956	1.6
227.08098	0.8
229.06052	14.6
237.06483	2.6
238.07384	3.0
239.04446	2.1
239.08127	17.2
240.08582	0.7
241.06065	2.6
243.07558	4.5
247.16891	0.7
249.06572	5.6
253.05977	4.5
254.06688	0.6
255.07652	1.9
256.08560	0.6
257.05646	3.2
265.06061	2.3
266.06732	0.9
267.07584	11.9
269.05432	3.0
271.07095	20.7
272.07397	0.8
277.06030	7.9
283.07117	1.6
285.08667	20.9
295.07104	25.9
296.07401	1.0
312.09784	1.1
313.08142	21.2
314.08640	0.6
331.09186	4.7
338.14926	3.6
380.15973	6.2
384.15479	26.9
385.15762	0.9
398.17056	18.2
399.17154	0.7
408.29825	0.8
426.16556	29.3
426.31049	1.8
427.17322	1.3
444.17621	100.0
445.17950	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	443.3878
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05503	19.2
57.07048	10.3
59.04975	3.9
59.06114	24.7
67.05218	2.1
67.05499	23.3
69.07052	33.0
71.04959	3.9
71.08604	7.6
71.62369	3.3
79.05465	14.0
81.07038	63.5
83.08589	12.4
85.06580	2.2
85.07659	12.9
91.05449	11.8
93.07032	45.2
94.07377	2.5
95.04958	3.2
95.08585	100.0
95.92908	2.1
97.06509	3.1
97.10135	9.4
99.08107	2.8
105.04438	3.0
105.07013	29.1
107.08574	69.4
108.88834	2.6
109.06461	5.0
109.10139	66.9
111.08045	7.1
111.11683	7.9
117.06950	2.7
119.08553	46.8
121.10125	63.8
121.11008	3.5
123.08025	4.0
123.11688	43.1
125.09555	6.7
127.11177	9.1
131.08539	7.7
133.10103	43.9
135.10680	3.1
135.11667	47.1
137.13229	17.9
138.39688	2.2
139.07553	2.6
139.11098	2.6
145.10097	12.2
147.11646	44.0
149.13217	36.3
151.14796	4.3
153.09087	3.7
155.14308	2.7
159.11714	20.1
161.13217	32.1
163.11128	3.6
163.14796	25.1
165.12727	9.9
167.14305	4.7
171.11667	3.2
173.13232	15.8
175.14816	34.7
177.16371	11.6
181.11794	2.4
181.70755	2.6
185.13257	3.1
187.14790	10.8
189.16345	34.7
191.17935	35.0
199.14787	3.8
201.16336	15.0
203.14200	3.0
203.17932	62.1
205.15741	3.1
205.19528	7.2
207.17497	3.7
215.17885	13.0
217.19432	22.4
219.17485	2.9
219.20967	3.7
221.15317	5.0
221.18927	3.6
227.31955	2.7
229.19472	8.0
231.20998	7.3
233.18938	3.4
243.21051	6.5
259.24185	9.4
261.22040	3.6
271.24146	31.7
277.25180	3.2
295.23947	2.4
299.36621	2.4
341.30420	4.0
397.34598	8.2
407.36511	9.8
425.33047	50.9
425.38132	23.3
443.34378	12.1
443.38928	15.5
469.49252	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3878
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.98184	2.2
55.05509	15.3
57.07062	5.5
59.54768	2.4
61.84075	2.3
67.05491	21.2
69.07059	32.0
70.91035	6.6
71.04976	3.1
79.05489	11.1
80.09049	2.5
81.07046	56.7
81.07510	3.5
83.08621	15.2
85.06577	2.5
85.22445	2.2
88.91508	2.2
91.05442	15.3
93.07033	52.1
95.08599	100.0
96.08962	3.1
97.06511	2.3
97.10205	6.8
99.08086	6.0
105.07011	27.9
107.08582	83.7
109.10139	79.3
111.08041	3.7
111.11713	9.5
119.08566	62.0
121.10128	64.4
123.08040	4.0
123.11700	39.3
125.09593	4.8
127.11201	11.3
131.08559	9.2
133.10106	58.3
135.11682	73.2
136.11917	2.6
137.09697	3.4
137.13229	16.6
145.10052	12.3
147.09911	2.8
147.11667	53.4
149.09416	2.8
149.13243	47.5
159.11664	19.7
161.13232	36.7
163.14812	33.2
165.09065	2.9
165.12773	2.9
173.13274	9.0
175.14853	23.6
177.16307	15.8
179.14232	4.4
187.14804	10.5
189.16383	51.3
190.16785	3.2
191.17921	62.5
201.16373	15.3
203.17934	67.1
203.19724	4.9
205.19495	14.8
207.17409	31.5
215.17947	7.7
217.19478	48.6
219.21100	8.1
221.18933	22.5
229.19481	4.3
231.21043	10.5
233.18944	6.2
243.21106	6.1
245.22614	17.0
247.20587	4.6
254.73399	2.7
257.22641	6.1
259.24252	11.5
261.22235	3.1
271.24155	9.3
277.25211	2.5
285.25690	4.3
297.25674	3.8
325.73605	3.1
353.51672	2.4
407.36673	31.0
425.37753	89.3
426.38089	3.7
427.13867	2.5
443.38876	80.1
444.39249	3.3
465.73062	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3881
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05510	5.1
57.07066	4.3
67.05501	12.4
69.07069	17.5
69.38982	12.4
69.39424	21.9
70.34177	3.3
75.24950	3.3
78.59458	3.7
79.05496	8.6
81.07050	33.7
83.08619	8.6
93.07047	23.5
95.08598	66.3
97.10170	8.3
105.07013	19.5
107.08575	46.2
109.10143	39.8
111.11716	4.6
113.09525	3.3
113.41100	3.3
119.08577	42.1
121.10129	33.6
123.11710	20.3
133.10133	36.7
135.11678	39.1
137.13242	14.6
145.10130	5.1
147.11658	23.6
149.13240	15.9
152.61795	3.4
159.11671	8.7
161.13260	17.8
163.14801	9.7
175.14847	12.9
175.63441	3.3
177.16446	14.4
187.14790	4.6
189.16362	36.5
191.17941	24.7
201.16431	7.3
203.17967	27.4
205.19550	8.1
207.17418	48.0
215.17957	8.8
217.19496	32.5
219.17319	3.7
219.21208	3.5
221.18993	28.3
229.19513	8.1
231.21100	15.0
245.22656	17.1
247.20476	4.1
257.22748	4.0
259.24182	5.3
264.94043	3.8
271.24203	10.6
374.29941	3.6
407.36624	33.0
410.30304	4.0
424.07394	3.8
425.37747	68.4
425.43307	4.2
426.38187	4.8
443.33569	6.7
443.38834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3875
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05505	9.6
57.07044	4.4
67.05495	15.8
69.07056	26.2
69.39140	15.0
79.05495	9.1
81.07041	41.7
83.08602	9.1
91.05453	10.4
93.07027	34.2
95.08590	82.4
96.08942	1.5
97.10162	5.0
105.07009	26.0
107.07856	3.0
107.08578	56.3
109.06501	2.0
109.10137	52.3
111.08070	3.6
111.11721	8.5
117.07013	2.0
119.08563	44.0
121.10120	44.4
123.11685	28.5
125.09593	2.9
125.71416	1.4
131.08504	3.0
132.35403	1.4
133.10100	37.5
135.11664	41.0
137.13225	21.6
145.10104	9.2
147.11656	27.6
149.13245	13.8
151.11134	4.6
151.14772	2.3
159.11679	6.1
161.13214	24.9
163.14793	20.2
173.13228	5.8
175.14784	16.0
177.16348	13.4
179.14305	4.2
179.17911	2.1
187.14778	6.1
189.16342	44.2
191.17912	20.6
193.23822	1.5
201.16408	6.8
203.17911	23.5
205.19467	11.7
207.17410	47.5
215.17906	11.7
217.19470	31.3
219.17305	1.7
219.20998	4.1
221.18962	26.2
229.19554	6.4
231.21046	17.1
233.18962	4.3
243.21074	4.8
245.22612	19.2
247.20531	4.5
257.22717	3.0
259.24194	3.6
269.22510	2.4
271.24112	13.8
283.24432	1.5
285.25830	4.8
297.25763	3.6
311.27133	1.9
407.36661	37.6
416.59485	1.9
425.37720	71.0
426.38074	2.5
443.38806	100.0
444.39288	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	443.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.1
55.05503	20.1
57.03421	3.4
57.07061	7.6
61.02908	5.1
67.05494	37.5
69.03409	8.4
69.07059	33.2
69.65696	12.4
71.04973	13.9
72.93777	2.7
76.59127	2.7
78.96989	2.4
79.05482	19.3
81.07043	63.1
83.04973	6.2
83.08628	15.0
85.02895	6.9
85.06528	29.4
88.57370	2.3
91.03935	4.1
91.05466	22.3
93.07030	46.9
95.04975	3.9
95.08594	100.0
97.02879	4.8
97.06494	14.0
97.10147	9.5
99.08085	4.4
105.07006	36.5
107.08581	71.2
109.06507	6.0
109.10142	77.5
111.08067	8.3
111.11725	4.4
113.09612	4.2
117.06945	2.6
119.08562	50.1
120.08919	2.2
121.06500	4.9
121.09297	4.7
121.10126	56.3
123.08040	6.1
123.11697	28.1
125.09602	9.1
127.11179	6.3
129.06996	2.6
131.08568	16.6
133.10114	45.3
135.08038	6.5
135.11674	39.6
137.09633	4.3
137.13222	14.9
143.08540	7.4
144.09303	3.0
145.10106	24.6
147.08046	4.0
147.11664	32.0
149.09644	5.1
149.13243	23.7
151.11168	3.1
151.14807	2.4
153.12740	3.6
157.10114	9.3
159.08089	2.4
159.11674	24.1
161.09584	3.5
161.13234	28.6
163.11165	9.1
163.14771	15.7
165.09099	11.7
165.12846	2.5
169.10193	3.1
171.11662	6.6
173.13232	14.0
175.11281	3.6
175.14792	20.5
177.12682	6.1
177.16347	9.0
179.14285	3.3
183.11664	4.7
185.13245	8.3
186.96863	4.1
187.14804	12.6
189.12738	9.1
189.16321	20.2
191.14197	6.1
191.17844	12.9
193.15831	3.9
197.13266	2.9
199.14825	6.5
201.12720	3.1
201.16386	16.4
203.14323	8.5
203.17909	12.9
205.15868	5.5
207.13666	3.1
207.17401	7.7
213.16426	6.2
215.17915	8.6
217.15894	7.6
217.19444	12.9
219.17424	4.0
221.15410	2.8
221.19028	3.1
227.17984	4.2
229.14209	3.6
235.20583	3.8
245.04732	6.1
257.22668	3.3
259.20581	2.4
265.73135	2.6
268.06201	2.8
271.20538	2.8
283.24384	2.6
287.23755	2.6
298.99622	3.3
319.23376	2.3
333.15009	8.7
334.15005	3.1
335.25983	2.4
407.33044	10.3
408.33896	2.7
425.33780	25.4
425.38370	8.5
443.35123	92.7
444.35553	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	443.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01861	2.1
55.05500	22.8
56.10186	2.2
57.03411	3.2
57.07062	8.5
59.04990	2.5
60.27998	1.5
61.02899	2.6
63.10422	1.6
67.05493	40.7
69.03405	5.9
69.07056	46.2
70.80760	3.8
70.81097	2.3
71.04990	14.6
71.08617	3.6
79.05482	22.8
81.07047	65.5
83.04952	3.1
83.08605	18.3
85.02880	2.8
85.06059	2.7
85.06534	38.4
89.94655	1.5
91.03925	3.1
91.05459	17.4
93.06468	2.8
93.07032	50.9
95.04934	4.4
95.08595	100.0
96.08920	2.4
97.02872	2.1
97.06527	17.3
97.10156	10.6
99.04410	2.9
99.08054	6.3
105.06390	2.5
105.07021	37.3
107.07857	3.5
107.08578	68.5
109.06450	5.1
109.10144	91.2
110.10490	2.7
111.08084	11.2
111.11677	6.1
113.09611	5.0
117.06964	5.9
119.08562	54.2
121.06519	8.4
121.10128	56.3
123.08041	6.5
123.11697	31.3
125.09599	10.5
127.03842	1.8
127.11138	6.3
130.07605	1.6
131.08559	10.9
133.10110	39.4
135.08009	6.4
135.11665	52.8
135.72530	1.9
137.09572	4.9
137.13229	15.4
139.11133	5.5
143.08533	6.2
145.10104	22.9
147.10643	2.2
147.11687	34.7
147.14334	2.2
149.09534	5.4
149.13240	27.7
151.11098	1.9
151.14815	5.0
152.77719	1.9
153.12666	3.7
157.10121	8.8
159.11681	27.0
161.09570	3.6
161.13231	31.9
163.11104	5.7
163.14801	16.8
165.09048	8.9
165.12698	4.1
167.10663	1.8
169.10057	3.5
169.11729	1.5
171.11649	5.6
173.09512	2.5
173.11845	3.1
173.13213	14.3
175.11145	5.0
175.14792	19.2
177.12695	4.3
177.16336	8.2
179.14250	2.2
181.15840	2.3
183.11598	3.4
185.13301	8.8
186.96793	3.5
187.11174	2.7
187.14787	12.3
189.12723	4.1
189.16345	20.9
190.16606	2.0
191.14337	3.9
191.17931	15.3
193.15782	4.1
199.14754	7.2
201.16362	21.9
203.14180	6.2
203.17973	18.3
205.15817	7.5
205.19484	3.3
207.17410	4.6
209.18906	2.6
213.16272	5.5
215.14017	2.3
215.17889	13.0
217.15797	3.6
217.19504	17.5
219.17355	5.0
219.21016	2.5
221.15245	2.5
221.18910	4.7
227.17905	2.5
229.19469	4.4
231.17346	3.8
233.18971	4.0
235.20509	4.6
239.17754	1.9
241.19504	2.0
243.20921	3.2
245.04596	5.7
247.20602	1.9
255.21240	2.1
256.40387	2.0
257.22580	3.1
269.22421	2.0
273.25717	1.9
287.23691	2.2
305.21246	2.6
315.26492	2.3
333.15042	9.1
334.15442	1.9
407.32828	10.0
425.32846	15.4
425.37695	18.6
443.34906	83.8
444.35614	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	443.3515
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05492	2.0
57.03431	0.5
57.07071	0.5
59.04980	0.4
61.15125	0.4
67.05222	0.4
67.05495	4.8
69.03410	0.6
69.07050	4.3
70.06934	0.4
70.82561	1.2
71.04956	0.6
71.22242	0.5
71.62730	0.4
77.41350	0.4
77.75237	0.4
79.05482	2.7
81.06570	0.6
81.07039	9.4
83.04967	1.6
83.08582	2.0
85.06514	1.0
85.57488	0.4
91.05471	1.6
93.07029	7.5
95.04953	1.4
95.08590	13.6
97.06496	2.5
97.10150	1.0
105.07014	8.4
107.08568	11.3
109.06497	1.8
109.10133	7.1
111.08052	1.2
112.29994	0.4
117.07038	0.7
119.08559	9.4
120.08822	0.4
121.06477	1.4
121.10117	9.6
122.10455	0.5
122.63783	0.5
123.08051	1.7
123.11675	3.9
125.09593	1.0
127.11224	0.6
131.08556	2.4
133.06508	0.5
133.10092	6.4
135.08018	2.2
135.11662	7.3
135.12688	0.6
137.09564	0.7
137.13225	1.9
139.11180	0.5
141.07982	0.4
143.08533	1.6
145.10085	3.3
147.08043	1.7
147.11656	4.3
149.09592	2.6
149.13187	3.6
151.11189	0.6
155.08545	0.9
157.10112	1.9
159.08038	0.9
159.11639	3.1
161.09576	3.8
161.13258	3.8
163.11136	1.2
163.14795	2.7
165.09052	1.2
165.12698	0.5
169.10127	0.7
171.11650	1.9
173.09685	1.1
173.13231	3.5
175.11162	2.2
175.14784	8.0
177.12732	1.3
177.16350	6.2
179.14282	0.6
183.11655	0.7
185.13242	1.1
187.11188	1.0
187.14743	3.5
189.12752	1.4
189.16333	6.4
191.14305	0.9
191.17979	0.8
193.15921	0.5
195.11658	0.5
197.13269	1.0
199.14803	1.8
199.33452	0.4
201.12703	0.9
201.16380	1.3
203.14284	0.9
203.17917	1.0
205.15878	1.2
207.17361	1.2
211.14819	0.9
213.16345	1.0
215.14279	1.4
215.17873	0.7
217.15839	7.7
217.19370	0.6
219.17389	1.7
223.14842	0.5
225.16402	0.7
227.17947	0.9
229.15868	1.0
229.19492	1.1
231.17389	15.1
232.17769	0.5
235.16920	2.1
239.18010	1.0
241.19574	0.7
243.21094	1.6
245.18974	1.6
253.19574	1.4
261.18524	0.4
271.20554	5.5
273.22028	0.8
273.93784	0.4
275.20078	0.4
281.22876	0.5
283.20468	0.5
285.22153	1.9
289.21603	1.0
311.23730	0.7
407.33096	4.3
425.34375	11.6
426.34613	1.1
443.35156	100.0
444.35544	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	443.3517
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.01855	2.1
55.05506	23.9
57.07074	9.5
59.04992	2.7
61.47321	1.4
65.03933	2.6
67.05497	41.3
69.03415	3.0
69.06670	2.3
69.07059	40.0
71.04990	3.9
71.08622	4.5
73.02917	1.8
73.06560	1.3
74.09729	1.5
75.45044	1.5
79.05479	21.6
81.03410	2.0
81.07049	57.0
81.07507	3.4
83.04978	3.8
83.08610	17.7
85.06541	3.7
85.10172	1.8
91.05479	19.4
91.58309	1.6
93.07036	41.0
93.07613	2.2
95.04967	3.6
95.08598	83.1
97.06529	4.9
97.10165	11.8
99.08092	3.4
101.24872	1.8
105.07021	33.9
105.07664	2.6
107.08584	76.8
108.08924	2.3
109.06523	5.5
109.10146	100.0
110.10472	2.2
111.08082	7.9
111.11735	4.2
117.07057	4.5
119.08571	53.2
120.08872	2.1
121.06510	4.3
121.10136	53.3
121.11018	2.7
122.10509	1.6
123.08097	4.4
123.11686	33.5
125.09631	5.0
127.11229	4.9
129.07004	3.4
131.08565	17.1
133.06441	1.5
133.10114	35.2
133.11063	2.1
135.08011	9.2
135.11668	34.9
137.09593	15.1
137.10400	1.5
137.13248	13.1
139.11195	3.2
143.08571	7.6
144.09380	2.5
145.10129	18.5
147.08147	3.2
147.11670	23.4
149.09636	3.6
149.13248	21.2
151.07550	3.7
151.11206	4.3
151.14822	3.3
153.09166	4.8
155.08614	2.0
157.10104	8.9
159.08084	1.8
159.11671	16.4
161.09645	3.7
161.13254	32.8
163.11212	4.9
163.14822	18.2
165.09172	4.2
165.12794	3.4
169.10124	2.8
171.11649	8.0
173.11826	1.9
173.13219	19.9
175.11278	3.1
175.14801	17.3
175.16010	1.7
177.12836	5.3
177.16367	9.0
179.14349	4.2
179.50415	1.6
181.12215	3.0
183.11771	4.4
185.13298	7.0
187.11206	2.2
187.14781	10.0
189.12823	6.9
189.16354	14.7
189.38425	1.5
191.10687	3.2
191.14378	7.1
191.17931	12.3
193.12260	2.0
193.15862	2.3
197.11691	3.3
197.13345	4.2
199.14854	4.4
201.12791	2.8
201.16464	7.0
203.14484	5.0
203.17921	9.1
205.12209	2.0
205.15964	3.3
205.19466	18.7
207.13803	4.8
207.17595	2.9
209.15538	2.2
211.14923	2.9
213.16428	2.4
215.18042	5.2
217.16008	4.4
217.19516	11.6
219.13737	3.0
219.17487	2.3
219.21187	5.5
221.15489	3.7
227.18022	3.0
229.14369	2.5
229.19614	4.2
231.21063	8.4
233.15407	2.6
239.18018	1.9
245.22586	2.6
255.20985	1.7
269.22632	3.0
271.24307	2.3
273.18716	1.8
277.18109	1.9
289.21939	1.9
289.25186	2.1
293.21042	1.7
297.22281	2.2
303.19525	1.9
325.25198	3.1
343.26440	5.6
361.27469	5.4
397.34924	5.0
407.28955	2.8
407.33417	5.8
415.36108	2.3
425.25742	3.3
425.34735	17.9
427.28427	2.3
443.28061	9.0
443.35403	58.4
444.35977	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	443.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21088	2.5
53.03935	4.8
55.01841	6.8
55.05503	21.2
55.21369	2.6
57.03422	4.1
57.07061	7.5
61.32835	2.8
61.58659	2.5
65.03927	4.7
67.05496	48.3
69.03419	7.3
69.07057	29.7
71.04974	6.4
71.62775	4.5
73.06563	3.0
79.05481	33.4
81.03387	3.5
81.07046	68.6
83.04967	9.4
83.08604	12.3
85.02888	3.1
85.06534	12.7
91.05466	39.0
93.07029	63.7
95.04960	9.3
95.08593	82.3
97.06495	15.3
97.10176	4.5
99.04467	5.9
99.08078	94.4
104.99112	2.5
105.07011	69.2
106.07278	3.4
107.04939	4.0
107.08575	88.8
109.06493	14.0
109.10134	60.2
111.08072	19.9
112.99986	3.8
113.09647	3.0
115.05392	4.8
116.06262	3.9
117.06989	21.3
119.08562	100.0
119.81323	3.1
121.06480	12.4
121.10125	54.9
123.08029	17.6
123.11694	17.5
125.09618	8.6
127.07534	45.3
128.06198	7.3
129.07002	16.1
130.07759	3.5
131.08539	48.6
133.06451	6.3
133.10109	60.9
135.08029	31.3
135.11658	31.6
137.09618	14.1
137.13242	5.8
138.74956	2.3
139.07567	3.0
141.06944	6.0
142.07733	8.1
143.08540	30.2
144.09283	6.4
145.06456	4.9
145.10094	64.6
147.08040	21.3
147.11659	44.1
149.09607	16.0
149.13245	13.6
151.07515	11.7
151.11162	6.6
153.06998	3.0
155.08543	13.0
156.09320	7.6
157.10098	36.7
158.10846	4.1
159.08044	6.5
159.11671	49.1
160.08655	2.6
161.09573	18.4
161.13228	26.6
163.11162	22.3
163.14821	13.5
165.09142	8.0
165.12761	5.0
167.07123	3.8
167.08566	7.9
169.10072	18.6
170.10808	7.7
171.11623	26.5
173.09625	7.9
173.13223	49.8
175.11172	14.9
175.14801	28.2
177.09117	5.4
177.12679	8.4
177.16335	4.5
179.10730	3.1
179.14259	4.8
181.10107	8.9
182.10849	5.4
183.11678	23.7
184.12352	3.4
185.13217	33.0
186.13989	3.5
187.11232	3.6
187.14827	24.7
189.09062	3.6
189.12741	12.8
189.16379	13.7
191.10637	9.4
191.14305	10.6
191.17896	4.1
193.10110	5.2
195.11662	10.4
196.12500	3.4
197.09508	3.2
197.13214	20.6
199.11127	5.9
199.14824	22.9
201.12674	7.9
201.14726	2.7
201.16269	14.1
203.14299	18.8
203.17970	9.7
205.12230	3.8
205.15901	13.3
207.11775	3.7
209.13243	9.6
211.14868	18.3
213.12828	2.9
213.16374	11.2
215.14252	9.1
215.17888	7.5
217.15825	23.3
219.13763	3.8
219.17455	7.0
221.13345	5.4
221.15256	3.1
223.14789	8.0
225.12762	3.0
225.16350	11.3
227.14311	4.4
227.17809	3.3
229.15775	9.2
231.13797	3.2
233.13286	3.4
233.15422	3.6
235.14873	5.5
235.16916	22.7
237.16451	5.7
239.14099	4.7
239.17990	6.1
241.15794	4.1
243.17422	4.2
245.13322	2.9
249.16302	6.6
251.17979	6.5
253.19469	4.6
255.17380	3.3
257.18985	7.1
269.18915	3.7
271.20377	3.5
277.19562	2.8
295.20670	3.1
297.22021	3.2
307.23898	4.9
315.23309	4.2
323.23660	9.4
325.25122	6.6
335.23816	4.3
341.24579	5.5
351.22894	6.1
353.24591	7.3
361.28824	4.5
369.24179	8.3
371.27145	4.1
379.30023	13.7
387.25244	3.8
389.28448	24.9
397.30957	10.1
407.29538	56.1
408.29813	4.2
425.30759	63.9
426.30603	5.5
443.27393	48.2
443.31708	57.8
444.27753	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	443.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.03919	1.9
55.01847	2.2
55.05505	13.9
57.03394	2.6
57.07032	2.2
59.04982	1.0
65.03918	1.5
67.05495	24.9
69.03394	2.4
69.07060	13.5
70.91048	2.0
70.91383	1.1
71.04955	3.3
71.64171	0.8
79.05482	19.1
81.03373	1.2
81.07044	31.1
83.04939	3.3
83.08607	7.4
85.02872	1.0
85.06503	3.2
87.04454	0.9
87.36317	0.8
91.05466	26.8
93.06481	1.5
93.07032	27.0
95.04964	5.1
95.08593	33.4
97.06481	3.4
97.10110	3.9
99.04444	0.9
99.08040	1.3
100.92139	0.8
103.05415	1.8
105.07014	27.9
107.04898	3.7
107.07867	1.6
107.08575	27.5
109.06490	5.9
109.10133	21.9
111.04408	1.6
111.08023	3.4
115.05369	2.8
116.06143	0.9
117.07008	13.4
119.08562	33.3
121.06493	6.2
121.09306	1.1
121.10129	18.3
123.08056	4.1
123.11684	5.9
125.09553	3.6
127.07518	1.3
128.06203	4.7
129.06987	20.5
130.07739	2.1
131.08551	24.7
133.06401	3.3
133.10107	19.5
135.04323	0.9
135.08015	7.8
135.10808	1.1
135.11667	11.4
137.05870	1.5
137.09587	4.1
137.13190	1.8
139.07507	1.2
141.06934	7.4
142.07710	3.9
143.08536	16.8
144.09193	1.3
145.06406	2.8
145.09032	1.3
145.10097	22.4
147.08017	5.3
147.11655	11.4
149.09622	4.4
149.12386	0.8
149.13252	7.7
151.07477	3.9
151.11130	2.3
153.06894	2.1
153.09024	1.9
155.07378	1.1
155.08536	12.6
156.09328	0.8
157.06438	1.5
157.10095	18.2
158.10748	1.3
159.07959	3.2
159.10451	1.6
159.11664	17.5
161.09636	4.2
161.13177	8.1
163.11166	7.1
163.14781	5.6
165.06908	2.4
165.09140	4.8
165.12625	1.6
166.07693	1.0
167.07054	1.0
167.08553	4.5
168.09221	0.8
169.10091	9.4
170.10789	1.6
171.08005	1.5
171.11665	12.3
172.12250	1.3
173.09555	2.4
173.13229	17.7
175.07390	1.3
175.11081	3.0
175.14754	5.5
177.08981	1.4
177.12648	2.6
177.16316	2.0
179.08514	1.9
179.10600	2.2
179.14212	1.0
180.09363	1.4
181.10095	5.9
183.07986	1.4
183.11670	6.2
184.12291	0.9
185.09538	1.7
185.13225	7.9
187.11096	1.8
187.14821	7.6
187.51068	0.9
189.08974	1.3
189.12695	2.8
189.16362	5.7
191.10545	1.8
191.14180	3.9
191.17818	2.6
193.09998	2.9
193.12079	2.0
194.10864	1.2
195.11685	5.1
195.13304	1.2
197.09569	1.3
197.13319	4.2
199.11041	2.5
199.14769	11.6
200.15120	1.1
201.12671	2.0
201.16380	8.3
203.14221	2.8
203.17911	4.9
205.12230	1.4
205.15819	1.1
207.11617	2.9
207.13513	1.2
209.13129	3.4
211.11157	1.7
211.14832	4.7
212.75702	1.0
213.12621	3.0
213.16307	6.2
215.17918	100.0
216.18207	3.6
217.12154	1.0
217.15802	2.4
217.19383	2.7
219.13683	1.7
219.17372	1.2
221.13098	3.4
221.15150	2.0
223.14777	5.1
225.12683	1.9
225.16252	3.2
227.14233	2.1
227.17903	27.4
228.18280	1.1
229.15874	2.1
229.19478	6.3
231.13696	1.2
231.17372	1.9
233.15343	1.4
233.18866	1.5
235.14720	1.9
237.16264	2.8
239.14134	1.9
239.17834	4.8
241.19498	7.9
243.20981	1.4
245.15259	2.0
247.16827	2.6
253.15813	2.3
253.19368	1.5
255.17250	1.6
255.21001	2.5
257.22577	1.3
259.16809	1.6
261.18463	92.3
262.18704	2.7
269.22510	2.0
271.16812	2.0
273.18451	17.8
275.19989	1.2
285.18286	2.7
287.19788	3.0
295.24124	1.6
297.25360	1.1
306.21655	1.1
323.23669	2.0
333.21841	3.7
333.25458	1.1
341.24643	3.9
351.23138	12.7
352.23331	1.0
361.24908	1.0
361.28784	6.9
369.19928	1.3
369.24164	14.7
370.24561	1.5
379.29984	17.3
387.25262	6.6
397.31061	26.6
398.31232	2.0
407.24979	3.2
407.29901	7.0
415.28314	1.4
425.25571	6.9
425.30655	3.5
443.27512	85.4
444.28070	7.2
454.13977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
53.44734	1.0
55.01871	6.5
55.05501	8.8
57.03429	13.3
59.04994	6.2
59.39957	1.1
60.07391	1.1
61.02919	14.2
67.05491	12.5
69.03425	37.9
69.07058	3.2
70.06583	3.1
71.01532	1.8
71.04988	7.5
73.02910	6.4
79.05482	10.2
81.03414	14.2
81.07050	21.4
83.01350	1.3
83.04978	13.0
83.08582	1.8
85.02899	75.4
85.06520	5.8
86.03214	1.4
87.04465	6.2
91.03934	3.1
91.05471	10.8
93.07040	16.6
95.04964	22.8
95.08601	23.9
97.02887	31.0
97.06520	5.0
99.04456	8.3
99.08094	1.5
101.02358	1.3
101.06009	3.9
103.05428	1.3
105.07035	10.3
107.04953	3.3
107.08589	17.7
109.02865	11.9
109.06510	10.7
109.10141	33.2
111.04461	3.0
111.08072	3.9
112.07548	1.5
113.09599	1.2
115.03922	2.1
115.05400	1.4
117.05492	1.7
117.06999	5.2
119.04914	4.1
119.08579	12.3
121.06497	7.8
121.10145	8.4
123.04426	2.0
123.08052	4.6
123.11665	2.8
124.07584	2.7
125.02333	1.5
125.05978	3.6
125.09584	2.0
127.03910	21.1
127.07570	2.6
128.04266	1.1
128.06194	1.8
129.05460	4.9
129.06990	3.6
131.04961	1.7
131.07040	8.1
131.08516	6.6
131.10611	1.8
133.06464	2.0
133.10133	7.1
135.04398	2.7
135.08037	9.8
135.11702	2.3
136.07498	1.6
137.05966	3.6
137.09601	75.1
142.07739	2.2
143.03419	2.2
143.08525	6.4
144.09332	1.5
145.04976	9.4
145.06500	2.6
145.08569	2.4
145.10152	8.2
147.08043	6.9
147.11694	3.8
149.05968	2.4
149.09607	4.5
151.03831	1.6
151.07562	2.2
151.11162	7.8
153.01823	19.8
153.02959	2.6
153.05479	1.3
153.09077	1.5
157.10068	5.5
159.08020	8.8
159.11697	6.9
161.09598	8.4
161.13214	3.9
163.07584	1.1
163.11154	12.5
165.09129	1.5
166.08578	1.2
167.07117	1.9
169.10158	2.1
170.62088	1.1
171.02844	1.4
171.11726	3.0
172.08859	1.7
173.09694	1.6
173.13231	3.3
175.11168	7.1
175.14697	1.8
177.09116	4.7
177.12749	2.0
179.10622	2.7
181.12262	6.6
183.11533	1.5
185.13182	5.5
187.11188	7.3
189.12772	2.0
191.10590	1.2
191.14262	2.0
193.04938	3.2
195.10107	2.6
197.13347	1.6
199.14835	2.1
203.14276	7.2
205.12254	33.7
206.12584	1.2
207.10065	1.2
215.14282	4.8
217.15897	2.6
221.15225	5.6
227.14328	4.4
233.15364	9.8
245.15363	13.3
263.16394	100.0
264.16653	2.6
281.14896	1.8
281.17447	34.7
282.17416	1.5
315.07037	1.2
425.21872	2.2
436.96335	1.3
443.16779	4.9
443.22818	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	443.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01855	4.3
55.05260	2.5
55.05503	34.5
57.03424	20.3
57.07057	1.4
59.04989	17.7
61.02921	8.4
65.03934	1.4
67.05482	4.3
69.03418	24.5
69.07035	4.5
69.80849	8.5
71.04965	5.5
73.02902	3.8
79.05463	7.0
81.03409	15.5
81.07044	16.0
83.04964	45.6
83.05702	1.9
83.08601	1.8
85.02889	71.0
85.06517	5.8
86.03202	1.8
87.04456	5.0
91.03938	2.4
91.05464	12.1
91.35206	1.6
93.07023	13.1
95.04963	19.5
95.08583	6.0
97.02876	23.7
97.06510	4.2
98.20815	2.4
99.04435	8.9
101.05998	32.0
105.07015	18.1
107.04945	1.9
107.08572	14.8
109.02862	9.0
109.06498	9.2
109.10139	6.4
111.04409	2.1
111.08066	3.3
113.09631	4.4
114.09951	2.7
115.03889	2.5
117.05463	4.8
117.06998	6.4
119.08575	22.1
121.06496	6.7
121.10117	20.4
123.08058	6.8
124.07595	2.4
125.05992	4.7
127.03899	16.0
128.06235	2.2
129.05453	14.7
129.06935	3.2
129.09076	2.6
131.07013	22.5
131.08571	4.7
131.10651	2.9
133.06502	3.2
133.10089	13.3
135.08029	9.9
135.11670	7.4
136.07512	1.4
137.05943	4.7
137.09624	6.7
139.07574	1.7
142.07742	3.0
143.08521	6.1
144.09290	1.6
145.04935	13.9
145.06329	2.0
145.10077	16.0
147.04431	2.5
147.06508	3.8
147.08020	28.6
147.11696	2.0
149.09599	3.5
151.07515	2.8
153.01836	5.4
153.05428	1.6
153.09158	1.8
157.10094	4.4
159.06783	1.9
159.08005	10.3
159.11668	5.2
161.09610	11.2
161.13239	1.8
163.05855	1.4
163.07526	2.9
163.11153	100.0
164.11566	1.7
165.09093	3.1
169.10040	2.3
170.10773	2.0
171.11731	3.1
173.09514	2.2
173.13202	1.4
175.11113	4.0
175.14830	2.2
177.07596	4.9
177.09097	19.3
179.10651	6.1
181.12193	44.7
185.13268	5.1
187.11200	5.2
189.09122	5.6
194.10832	2.0
199.14816	3.1
201.12709	1.8
203.14252	9.9
205.12210	8.1
207.10114	21.8
215.14311	2.2
217.15846	2.9
223.13190	4.0
227.14278	4.9
233.15404	4.7
245.15340	19.8
263.16367	66.5
264.16650	2.0
281.14804	2.3
281.17429	37.7
321.11658	2.4
325.16315	2.1
343.17624	2.9
425.21613	6.7
443.09433	2.0
443.16736	4.1
443.22714	53.2
444.22781	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
55.05492	0.5
55.08584	0.4
57.03427	44.8
59.04988	9.7
61.02901	1.6
67.05505	0.5
69.03417	7.4
69.07058	1.1
69.95293	0.9
69.95691	1.6
71.04973	1.8
73.02915	0.9
77.21597	0.5
77.29206	0.4
79.05498	0.6
81.03400	5.4
81.07019	0.8
83.04967	1.4
83.08596	0.5
85.02888	8.5
85.03368	0.9
87.04459	3.0
89.06005	1.9
93.02439	0.4
93.07035	0.8
95.04954	1.6
95.08562	0.5
97.02876	6.3
99.04431	11.0
99.08051	0.7
101.06001	3.5
105.05448	0.7
105.07046	1.0
107.08563	1.4
109.02865	3.1
109.06497	1.0
109.10122	1.6
111.04427	0.5
115.03918	2.8
115.04603	0.5
117.05475	14.9
117.09117	3.4
119.08565	2.5
119.40485	0.4
121.02785	0.9
121.06506	0.6
121.10112	1.3
127.03893	5.6
129.05460	17.6
131.07018	100.0
132.07320	1.1
133.04950	0.9
133.10153	0.6
135.08034	0.6
135.11647	0.7
137.05899	0.5
137.09557	1.9
140.06961	0.5
141.05428	1.1
145.04938	2.6
145.10130	0.7
147.06487	3.5
149.09535	0.5
153.01840	0.8
157.10123	0.8
159.06514	4.2
159.08038	2.5
161.09564	0.5
163.11130	1.8
175.11130	0.8
177.07578	10.2
177.09026	0.8
181.12236	0.7
200.54347	0.4
203.14297	0.9
213.07518	0.6
227.14401	1.1
241.06548	1.0
243.08704	0.7
245.15250	2.4
263.16397	5.0
272.61276	0.6
273.09796	0.6
281.11258	3.3
281.14020	0.8
281.17514	0.6
285.09720	1.3
291.10760	2.8
303.10638	3.2
321.11636	3.2
389.14447	1.2
407.15366	1.9
443.16367	1.9
443.22537	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.7
55.05497	3.2
59.48042	2.6
65.03910	3.2
67.05495	4.0
69.03407	4.7
69.07038	3.5
71.04971	3.4
71.62461	4.8
79.05476	10.2
80.02406	2.7
81.03395	3.9
81.07047	7.5
83.04952	7.4
85.02895	3.9
85.06528	4.3
91.05455	20.4
93.07013	9.2
95.04933	7.8
95.08586	7.4
97.06498	4.0
100.56702	2.8
103.05455	22.4
105.07025	11.0
107.04923	6.3
107.08583	4.4
108.89490	2.8
109.06477	4.7
109.10130	5.4
115.05454	9.5
115.99924	2.7
117.07034	6.1
119.04900	18.1
119.08546	5.4
121.06522	4.5
121.10126	7.2
122.03635	4.1
123.04413	4.0
127.03941	3.5
128.06224	8.2
129.06975	19.3
131.04904	81.7
131.08556	5.7
133.02811	6.4
133.06441	6.2
133.10088	3.6
135.04417	4.4
137.05951	85.8
139.03922	3.6
141.06946	9.5
142.07703	3.3
143.04904	3.7
143.08546	3.5
145.06424	14.4
147.04376	39.4
147.08041	3.3
149.05933	4.4
149.09550	4.0
151.07524	6.7
153.01807	4.7
153.05455	7.8
157.06430	19.8
158.07268	4.4
159.07999	5.4
161.05925	15.0
162.06718	8.7
163.07520	59.0
163.11215	3.3
164.04710	4.1
165.05545	5.3
165.09125	4.4
167.07047	9.0
169.06477	7.4
170.07204	4.8
173.05978	7.7
173.09706	3.9
174.06648	3.7
175.03902	7.4
175.07530	11.0
176.04703	4.3
177.05415	7.6
179.07030	11.2
184.05148	6.9
185.05937	23.9
186.06769	8.7
187.07530	12.1
189.05432	10.3
189.09090	8.6
190.06200	3.8
191.07053	16.6
193.05031	4.0
199.07445	5.8
201.05443	5.8
201.09123	7.8
202.06160	6.1
203.07037	14.0
205.08571	10.2
207.06465	3.0
207.10051	3.1
213.05460	17.6
214.06161	3.4
215.07021	9.9
217.05016	4.0
217.08519	23.3
219.08154	5.9
219.10025	6.5
224.15474	3.2
229.08450	15.9
231.06189	13.5
231.08339	5.0
231.10092	4.3
233.08043	9.9
235.05965	7.9
245.07840	20.3
247.07480	9.6
247.09705	6.5
248.08197	10.3
259.09723	3.9
261.09048	8.3
262.09830	3.3
263.08960	32.9
263.23413	2.9
264.21808	3.2
265.08453	6.7
271.09814	3.7
275.06848	6.5
276.07813	10.9
277.08502	4.3
289.10809	5.9
290.09201	5.0
291.10132	12.7
292.07288	6.2
293.07953	9.2
305.07993	4.6
305.11389	4.4
306.08594	3.9
307.09427	6.4
308.10312	6.1
315.08762	3.9
319.09567	9.6
321.07434	4.9
323.12738	5.9
330.10852	3.3
336.09937	8.3
337.10785	8.0
351.12244	20.7
353.10065	11.1
368.12357	10.8
383.14801	100.0
385.16602	4.4
393.13177	17.1
413.15714	9.1
416.94583	3.2
425.15836	10.9
443.17041	11.5
443.22903	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	443.159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	3.3
55.01855	0.5
55.04241	2.8
57.03413	1.2
61.02902	1.2
67.05499	0.6
69.03427	2.5
70.02950	0.7
71.04980	0.9
71.22734	1.3
73.02899	0.9
80.05005	0.5
80.69165	0.6
81.04528	19.1
82.05305	7.9
85.02895	5.7
86.03230	0.7
87.04449	1.0
91.03969	0.5
95.04955	1.0
97.02879	1.2
101.05986	0.7
108.05621	0.5
109.02869	1.0
110.07125	0.5
112.80803	0.5
113.05994	1.0
114.03745	0.8
114.06434	0.5
117.05471	0.9
121.96543	0.5
122.07132	100.0
123.07916	92.3
124.08278	0.6
127.03912	1.7
131.07010	7.0
132.07385	3.0
139.03864	2.1
144.04762	1.1
145.04907	1.1
153.01849	0.8
160.04277	1.9
163.05873	0.6
165.07686	3.7
172.04269	1.5
187.68620	0.6
281.10629	62.2
282.10968	1.2
287.05542	0.9
323.11765	1.5
443.15942	95.4
444.16159	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	442.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.9
55.01852	1.1
55.05496	3.0
57.03414	1.2
57.06788	1.3
57.07065	21.6
59.54435	0.7
60.02713	0.9
60.32839	0.7
61.02906	1.6
67.05488	4.6
69.03408	2.7
69.07063	5.2
71.04962	1.8
71.08618	31.5
71.62569	1.3
73.06532	1.5
79.05472	2.6
81.03407	2.0
81.07050	5.8
83.08607	1.7
85.02890	12.6
87.04441	1.1
89.06016	69.5
91.05455	2.7
93.07023	4.4
95.04979	1.0
95.08585	5.6
96.08907	1.1
97.02860	4.1
105.06998	3.3
107.07043	5.5
107.08589	4.4
109.02843	1.6
109.06530	1.2
109.10125	1.7
111.11706	1.0
113.13232	2.0
116.10674	1.0
119.08553	3.1
121.10139	3.4
125.09593	1.2
127.03891	2.8
129.06978	1.8
130.08646	2.2
131.08586	2.1
133.08575	18.3
133.10126	2.8
135.07997	1.1
135.11644	1.4
137.05879	0.9
145.04898	1.5
145.06425	2.4
145.10143	1.9
146.06734	1.3
147.04391	1.2
147.08022	1.0
147.11632	1.6
151.09631	53.0
155.08476	1.2
157.10130	1.8
157.15820	0.9
159.11678	0.9
160.11929	1.0
161.13304	1.4
171.11665	1.4
189.12766	1.2
189.16322	1.3
195.11754	1.3
199.14864	1.1
201.12691	1.0
201.18452	4.9
256.14178	1.0
263.22131	100.0
264.22400	1.3
274.15143	1.6
285.27954	0.9
326.23099	1.0
344.24216	1.0
350.21738	1.0
368.23065	2.4
369.23801	1.2
388.29184	1.1
424.32672	1.2
425.26337	1.1
442.25995	5.8
442.37888	1.6
443.27643	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	442.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.4
55.01646	0.8
55.01866	7.6
55.05498	1.2
57.03427	14.0
59.04994	1.5
61.02919	12.1
67.05499	2.2
69.03420	27.7
69.07063	0.9
70.26358	0.8
71.01341	3.1
71.04980	1.9
72.04465	0.7
73.02905	36.2
79.05486	1.3
81.03403	5.4
81.07031	2.1
85.02892	100.0
87.04455	4.2
91.03945	5.5
91.05471	1.8
93.07022	1.5
95.04985	1.0
95.08575	1.7
97.02877	41.3
97.06497	1.0
99.04449	4.1
101.02419	1.1
103.03932	2.3
105.07018	2.0
107.04967	0.9
107.08560	1.9
109.02855	7.1
109.10142	2.1
110.10500	0.7
115.03917	19.0
119.08504	1.1
121.10176	1.2
123.11642	0.9
127.02947	1.5
127.03895	29.6
132.06558	1.8
133.04945	25.6
137.09561	1.1
145.04936	57.8
145.10124	1.3
146.06859	1.7
150.07597	4.3
157.06540	1.1
159.11707	1.8
163.05994	24.7
164.06461	0.8
165.09123	5.4
167.07111	1.4
171.11714	1.2
181.04924	1.1
187.06075	1.0
198.18661	0.9
214.17931	0.7
223.05966	4.0
225.92661	0.8
227.16431	1.1
241.07050	3.9
259.08072	4.9
274.15125	1.5
277.08951	1.1
293.19525	2.0
295.10306	1.9
350.21973	1.1
368.22852	1.6
383.14810	1.5
424.30502	1.6
442.26355	6.2
442.32220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05497	1.4
57.03408	0.9
65.43775	0.6
67.05485	1.4
69.03419	3.3
69.07031	1.2
71.04979	31.7
71.16925	1.6
73.07679	0.6
73.65839	0.7
79.05470	1.0
81.03389	2.5
83.04907	0.7
84.26211	0.6
85.02876	2.7
85.06526	5.5
85.28010	0.7
91.05471	0.9
91.84820	0.6
95.04929	1.3
95.08604	0.8
97.02880	2.8
101.06001	0.9
105.07008	0.8
107.08585	0.9
109.02879	1.8
109.10201	1.0
113.05982	5.5
118.03107	0.6
127.03899	4.2
127.07534	18.9
131.04909	2.2
131.07014	11.6
137.05913	2.4
145.08572	100.0
146.08899	1.3
146.37257	0.6
147.04398	1.0
157.06474	0.7
157.08466	0.7
161.09584	0.6
163.07538	0.9
167.07022	1.2
173.08127	3.1
181.08589	1.5
191.09106	18.7
245.11734	1.7
257.10138	0.8
259.11807	1.7
263.09061	0.9
263.12799	1.5
271.30521	0.6
275.11154	1.0
317.12231	2.4
331.15930	0.6
332.26553	0.6
335.13278	9.0
335.85001	0.7
389.18185	4.6
407.19153	1.9
424.22476	0.9
443.17621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.6
67.05487	1.0
69.03413	2.3
69.07033	0.6
69.29757	7.8
71.04984	34.3
73.02870	0.9
73.06540	4.0
79.05469	1.0
81.03413	3.9
81.07040	1.6
83.04961	0.9
85.02897	6.1
85.06538	5.5
93.07019	1.0
95.04929	1.5
95.08573	1.1
97.02882	3.7
99.04436	1.3
101.06010	3.8
105.06994	0.9
107.08624	1.1
109.02859	2.9
113.05995	5.1
120.87082	0.6
121.10120	0.7
124.07546	0.7
127.03917	4.6
127.07539	18.7
131.07024	11.1
133.10065	0.7
135.04414	0.6
137.05931	0.7
142.08556	0.7
145.08580	100.0
146.08934	1.6
155.07079	0.9
157.08713	0.8
163.00925	0.6
167.06989	0.7
173.08122	2.8
184.07350	1.6
191.09120	13.7
235.11623	0.9
245.11668	3.0
257.10220	0.9
259.11795	5.1
263.12726	3.8
275.11435	0.7
299.11288	1.1
317.12180	3.5
335.13300	7.4
389.02853	0.7
389.17969	7.9
407.19080	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.01852	1.7
56.12623	0.5
57.03426	4.4
57.07062	4.4
61.02925	3.1
65.03906	0.5
67.05495	6.6
69.03417	6.2
69.07049	1.0
70.73837	1.2
71.01344	0.7
71.04987	2.8
73.02908	3.7
75.57680	0.5
75.94720	0.5
81.03378	1.5
85.02893	31.9
85.06522	3.5
87.04465	0.9
91.03932	2.0
95.04958	11.2
97.02873	8.0
99.04452	1.3
100.86478	0.5
103.03902	0.5
109.02859	3.2
113.05990	25.7
114.02318	0.5
115.03903	1.0
117.05508	0.7
122.07166	0.5
127.03922	5.6
131.07022	100.0
132.07373	1.3
133.04967	1.7
141.05449	0.6
145.04942	12.6
149.08167	0.6
150.07597	0.7
163.05983	7.4
172.09660	0.6
257.10126	0.7
262.86267	0.5
293.09164	0.8
293.12289	12.3
362.78760	0.6
440.20786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3721
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03942	2.6
55.05494	11.2
57.07066	3.6
58.69640	2.4
61.26737	2.5
67.05499	15.9
69.07063	24.8
70.22929	14.0
71.04983	5.8
79.05495	12.5
79.97881	2.2
81.07048	35.8
82.07373	2.9
83.08609	8.8
84.82363	3.1
85.06535	5.2
89.50169	2.1
91.05446	13.6
93.07030	36.0
95.04966	2.6
95.08591	50.4
97.10166	4.5
99.08064	5.3
105.07022	37.5
107.08573	50.0
108.48415	2.9
109.10141	38.0
110.66425	3.0
111.11696	2.7
117.07020	4.3
118.96072	2.8
119.08564	65.4
121.10121	62.0
123.08077	7.6
123.11697	23.6
127.11176	18.8
131.08521	17.6
133.10103	66.9
135.11673	41.6
137.13249	11.6
143.08533	3.9
144.09274	2.8
145.10103	51.9
147.11662	44.1
149.13235	23.3
151.14801	3.2
157.10146	6.8
159.11664	35.8
161.13239	39.4
163.11208	2.7
163.14793	15.3
171.11681	5.1
172.12372	3.8
173.13255	20.6
175.14806	56.5
177.16386	9.9
179.14215	4.8
185.13341	5.5
187.14784	55.7
189.16336	53.4
189.40932	3.2
191.17940	8.4
193.15839	54.0
199.14764	4.7
201.16344	43.7
201.18193	2.9
203.17940	36.9
205.15851	100.0
205.19690	3.2
206.16158	3.8
207.17422	14.1
211.15074	2.8
213.16400	5.7
215.17943	15.3
217.19525	13.3
219.17470	13.2
221.18910	2.9
231.21098	3.7
233.18958	7.6
243.21056	6.2
245.22639	4.2
255.21068	4.8
261.21942	3.0
295.24084	4.5
313.25269	12.8
322.71188	3.4
337.28815	4.2
405.35223	9.4
423.36258	76.3
441.37445	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3721
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05505	15.3
57.07062	9.5
59.04980	3.2
60.18577	3.0
67.05491	28.4
67.68814	2.7
69.03419	6.3
69.07056	38.7
69.29887	19.9
69.30310	13.7
70.92758	3.6
71.04987	7.8
71.08627	5.1
79.05483	16.7
81.07051	56.9
83.04936	3.5
83.08606	14.7
84.50877	3.1
85.06531	11.1
85.10163	4.6
87.04462	7.8
91.05477	12.2
93.07038	45.8
95.04951	5.2
95.08593	100.0
97.06529	7.9
97.10151	8.5
98.21514	7.6
105.07025	39.5
107.08582	73.5
108.08919	4.7
109.06474	6.3
109.10142	74.0
111.08091	7.7
111.11681	5.5
117.06971	3.6
119.08568	53.4
121.06479	5.5
121.10130	58.7
121.10996	3.2
123.08046	8.4
123.11698	31.9
125.09599	6.8
127.11159	5.6
131.08578	17.7
133.10117	42.9
135.08067	5.4
135.11676	53.9
137.09602	6.3
137.13242	14.0
143.08580	7.7
143.10706	4.5
145.10126	26.8
147.11667	37.3
149.09610	7.0
149.13263	38.2
155.08554	4.0
157.10156	6.5
159.11668	30.1
161.09550	4.3
161.13266	35.4
163.11122	5.5
163.14839	17.7
165.09088	4.8
165.12811	5.5
167.10550	3.1
169.10176	4.8
171.11708	8.7
173.13222	19.3
175.14751	25.3
177.12747	5.7
177.16383	9.4
179.99153	3.0
185.13271	9.8
187.11057	4.2
187.14742	16.5
189.12685	4.3
189.16364	29.4
191.17940	31.8
199.14801	7.8
201.16364	20.0
203.14479	3.3
203.17947	21.6
204.18214	3.9
205.15933	7.5
205.19452	8.5
207.17395	5.5
211.14799	3.1
213.16379	6.4
215.14244	3.8
215.17924	14.1
217.15858	7.7
217.19478	14.8
219.13718	4.6
219.17371	9.5
221.18887	3.8
227.17838	4.4
229.19514	6.1
231.17378	6.3
233.19023	7.8
239.17793	3.3
243.21140	4.0
255.21068	6.8
257.19302	3.1
283.23981	3.0
304.12323	3.0
405.35266	6.7
423.36832	37.8
441.32907	27.3
441.37161	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	441.3721
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05499	13.6
56.07205	2.2
57.07064	7.7
65.49532	2.0
67.05487	23.1
69.07062	30.5
71.08623	3.3
79.05477	11.1
81.07044	55.3
83.08595	11.2
87.04474	2.6
91.05478	9.1
93.07034	29.9
94.54974	2.0
95.08595	89.7
97.06529	2.1
97.10170	8.6
105.07024	20.2
107.08575	49.0
109.06467	3.1
109.10143	64.2
110.10584	2.2
111.08073	2.7
111.11732	9.5
117.07042	2.5
119.08571	42.6
121.06516	3.8
121.10127	47.7
123.08078	5.7
123.11690	27.0
131.08563	7.5
133.10110	33.3
134.10495	2.9
135.11678	30.0
137.09689	2.9
137.13246	23.5
142.07864	3.1
143.08609	4.6
145.10109	15.6
147.11659	22.1
148.64072	2.1
149.13245	22.6
151.11150	2.3
151.14819	4.9
157.10123	7.9
159.11697	19.4
161.09656	3.0
161.13246	14.9
163.11195	3.3
163.14777	13.5
165.09084	2.3
165.12808	3.6
171.11697	6.4
173.13222	13.2
175.11177	2.8
175.14795	16.1
177.12814	4.2
177.16373	10.7
179.17926	2.5
182.01620	2.3
185.13312	3.9
187.14778	14.2
189.12737	2.6
189.16391	19.3
191.14317	2.9
191.17908	21.2
193.12228	3.2
193.15884	4.3
193.19536	4.1
195.33292	2.2
199.14853	10.3
201.16431	9.7
203.17894	14.7
205.15923	7.4
205.19456	19.8
207.17410	4.6
213.16425	9.1
215.17993	8.6
217.15901	8.5
217.19510	11.5
219.17493	8.7
219.21066	4.3
221.18900	2.1
229.19577	4.7
231.17522	9.8
231.21011	14.3
233.19029	3.4
235.16963	15.5
239.18098	2.1
241.19559	5.5
243.21143	6.2
245.19179	3.3
245.22708	8.5
249.18506	6.1
255.20883	2.5
257.22818	2.2
259.20596	3.0
270.51392	2.2
272.45474	2.4
277.21741	3.1
285.25931	3.1
295.24423	3.5
297.25980	3.0
323.27188	3.0
329.53467	2.1
379.33627	2.6
405.35114	65.1
405.40115	3.9
406.30267	3.4
406.35422	4.4
417.71033	2.5
423.36282	61.3
441.37402	100.0
442.37524	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	441.3721
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05503	13.2
57.07064	8.2
59.04965	2.5
67.05502	17.4
69.07049	17.3
69.55299	16.9
71.04951	3.4
71.08627	11.4
71.08975	2.5
75.54704	2.0
79.05486	12.1
81.07045	52.0
83.08591	4.5
85.06525	8.9
85.10162	5.5
89.06011	17.4
91.05455	15.9
93.07028	41.2
95.04971	4.1
95.08593	86.9
97.06538	2.1
97.10167	6.0
98.62811	1.9
105.07012	40.1
107.08583	56.2
108.08880	2.0
109.06514	3.1
109.10133	51.4
111.08074	6.0
113.09637	2.7
117.07010	5.0
118.82426	1.9
119.08570	50.2
120.61813	1.9
121.06523	15.6
121.10123	50.2
123.11671	21.1
125.09613	3.1
127.11167	2.8
131.08562	11.9
133.08609	8.6
133.10112	38.3
135.11668	48.4
137.09583	3.0
137.13232	8.0
143.08502	3.1
145.10100	23.1
147.11676	34.7
149.13234	23.9
151.11166	3.8
151.14766	2.2
153.12730	2.4
157.10094	6.8
159.11674	30.3
161.13245	35.5
163.14781	23.5
165.09148	5.4
165.12787	4.0
171.11670	6.4
173.13237	22.3
175.14812	28.0
177.16345	11.9
179.14290	6.7
185.13364	2.7
187.14761	18.8
188.15399	2.2
189.16331	25.7
191.14287	7.2
191.17926	52.3
193.15854	6.3
199.14835	2.7
201.16312	22.3
203.14294	2.3
203.17905	21.9
205.15904	8.4
205.19507	9.3
207.17464	10.2
209.11723	3.0
213.16351	5.5
215.17908	23.4
217.15985	2.4
217.19453	11.9
218.84567	1.9
219.17403	13.1
219.21060	2.2
221.19057	5.2
227.17923	6.5
229.19496	8.3
231.17540	4.0
231.21085	5.7
233.18927	23.6
243.21069	5.7
245.22705	4.4
247.20625	5.8
247.24081	2.1
253.19420	2.5
257.22577	2.5
261.22089	2.6
269.22629	3.1
271.24203	3.8
273.22098	2.5
283.24567	2.5
287.23730	2.9
291.23077	3.3
315.18015	11.4
315.26776	2.9
351.76425	2.4
395.36700	7.4
397.34882	2.2
405.35034	8.1
423.30908	3.5
423.36258	86.9
424.36484	5.9
441.37671	100.0
442.37637	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	441.3719
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03958	2.2
53.24325	2.0
54.00369	1.8
55.05503	16.0
55.85172	2.0
55.90894	2.5
57.07062	6.6
67.05499	17.0
69.06719	2.3
69.07055	31.6
71.04988	13.8
71.08602	1.8
71.11524	6.1
72.10211	1.9
79.05480	14.2
81.07044	50.4
83.08598	10.1
85.06522	3.0
87.04419	2.2
91.05471	19.2
93.07025	54.9
95.04944	3.6
95.08590	80.1
97.06517	2.1
97.10125	5.6
99.08090	11.5
105.07008	55.8
107.07847	4.4
107.08575	85.7
109.06497	2.7
109.10135	64.8
115.05414	2.4
117.06995	4.8
119.08559	93.5
121.10122	73.8
123.08080	4.1
123.11684	27.6
123.20020	2.1
125.09586	5.2
127.11172	28.1
128.06198	2.4
131.08546	25.8
133.10103	77.7
134.10432	2.5
135.11665	64.6
137.09532	1.9
137.13202	12.1
143.08549	4.5
144.09273	2.7
145.10104	59.6
145.11256	3.5
146.10493	1.9
147.11661	89.5
149.09563	2.1
149.13235	20.9
151.14807	2.9
153.12669	2.1
157.10126	11.5
158.10780	2.3
159.11670	69.6
159.47198	1.8
160.12285	2.6
161.11957	3.2
161.13242	43.3
163.11148	3.2
163.14790	29.0
165.12741	7.2
170.10838	2.3
171.11636	6.9
173.13240	46.5
174.13676	2.3
175.14792	28.6
177.16385	12.5
179.14319	10.4
185.13226	3.6
187.14792	40.6
189.16351	100.0
190.16644	2.8
191.17909	23.1
199.14792	6.8
201.16322	50.3
203.17917	50.0
204.18224	3.4
205.15639	2.6
205.19476	4.1
207.17404	29.7
211.14810	2.2
213.16368	11.7
215.17899	54.5
217.19516	25.4
219.17404	7.3
221.18999	4.0
227.17986	4.3
229.19431	3.2
231.21046	4.8
233.18962	27.6
241.19429	3.6
243.21147	6.0
255.21118	5.6
257.22610	8.9
261.22040	4.7
273.22043	2.6
275.23688	9.9
325.28738	2.9
337.28989	3.3
405.35300	14.8
423.30774	4.5
423.36142	91.1
424.36282	5.8
426.27002	5.6
441.29282	8.1
441.37527	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	441.372
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03932	4.1
53.97907	1.9
55.05503	16.5
57.03446	2.3
57.07053	7.2
60.92476	1.7
64.72665	1.5
65.03930	2.9
67.05163	2.5
67.05492	30.2
67.36710	1.5
69.06712	2.8
69.07059	32.2
71.04980	9.9
71.08585	2.4
71.39447	1.6
71.62584	1.9
71.62993	3.4
73.52801	1.7
77.03918	1.7
79.05480	19.0
79.59359	1.8
79.99845	1.7
81.03387	2.5
81.07047	58.4
83.04977	4.7
83.08600	12.2
85.02895	2.0
85.06529	3.2
90.29971	2.0
91.05461	24.0
93.00565	2.0
93.06461	3.2
93.07030	48.4
94.07421	2.4
95.04950	4.3
95.08594	82.2
96.08936	2.1
97.06523	4.4
97.10159	6.1
99.08083	4.3
103.05474	1.8
105.07018	53.5
107.08585	72.4
109.06490	6.4
109.10143	60.0
110.10493	2.6
111.08034	4.9
111.11691	4.1
117.06989	7.9
119.08566	80.9
120.08939	3.2
121.06488	3.4
121.10126	55.2
123.08051	6.7
123.11684	22.9
124.12083	1.9
125.09587	3.9
127.11195	16.2
129.06985	4.9
131.08545	23.9
132.72865	1.8
133.10112	70.8
134.10402	2.0
135.08047	2.9
135.11676	43.9
137.09612	4.7
137.13214	10.2
139.11108	1.9
143.08516	12.6
144.09280	2.8
145.06436	3.4
145.10110	49.9
145.11275	3.2
146.10486	1.8
147.08054	3.5
147.11670	52.8
149.09662	3.8
149.13251	29.6
151.11096	3.3
151.14787	4.0
155.08482	3.4
156.09290	3.2
157.10135	16.5
158.10851	4.0
159.08092	2.6
159.11668	43.0
160.12282	2.1
161.09616	4.2
161.13246	38.6
163.11108	3.5
163.14813	25.5
165.09094	3.0
169.10115	7.7
170.10866	3.2
171.11639	15.7
172.12314	2.3
173.13226	25.0
175.11140	4.4
175.14798	45.8
177.12737	2.4
177.16368	24.9
179.14310	3.6
181.10127	3.1
181.16008	1.8
182.10849	2.4
183.11656	6.4
185.13252	15.0
187.11171	4.4
187.14807	39.8
188.15205	3.0
189.12750	3.3
189.16374	59.1
190.16783	3.8
191.14334	4.0
191.17940	11.6
193.15846	5.3
195.11670	3.3
197.13216	5.6
199.14787	13.4
201.12683	2.4
201.16362	44.7
202.16711	2.4
203.14308	6.4
203.17929	44.6
205.15842	5.1
205.19543	9.0
207.17381	11.1
209.13338	3.1
211.14751	5.9
213.16295	8.5
215.14284	5.5
215.17943	18.4
217.15924	2.8
217.19507	18.3
219.13823	4.2
219.17383	6.0
221.15312	2.7
221.18971	7.4
223.14888	4.5
227.17921	7.7
229.15849	3.2
229.19528	4.5
231.17389	5.5
231.21011	2.8
233.15359	3.6
233.18941	2.8
239.17882	3.6
241.19518	4.2
243.21053	3.3
245.15242	2.7
247.16910	2.2
247.20517	2.8
249.18509	5.1
253.19478	5.1
255.21014	5.3
269.22519	2.6
281.22705	2.5
291.21890	2.3
297.25662	2.1
311.23688	2.3
325.24954	2.1
337.28931	4.8
339.26816	2.6
355.29672	10.7
405.31250	6.5
405.36044	8.6
423.36578	74.5
424.36389	7.1
441.25836	4.0
441.32043	10.5
441.37991	100.0
442.37811	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3718
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
51.46725	1.0
53.03915	1.3
54.66603	1.0
55.05293	1.1
55.05499	11.6
56.63588	1.1
57.07066	8.4
65.03956	1.5
67.05495	28.0
69.03402	1.8
69.07052	20.9
71.04968	3.3
71.62556	1.4
79.05482	16.4
81.03399	1.3
81.07043	74.8
82.07359	1.2
83.04944	2.7
83.08604	8.0
85.06547	2.4
87.05023	1.1
88.34167	1.1
91.05453	15.3
93.06470	1.9
93.07025	28.0
95.04935	2.6
95.08589	100.0
97.06511	2.2
97.10149	5.0
99.08068	3.0
105.07017	24.1
107.08576	36.5
109.06524	2.2
109.10138	41.8
111.08034	2.3
111.11700	3.5
117.07001	7.3
119.08556	23.3
121.06472	1.8
121.10122	28.7
123.08037	2.4
123.11689	26.3
125.09601	2.5
127.11204	1.8
128.06183	1.6
129.06969	4.5
131.08545	15.7
133.10114	22.2
135.08023	2.8
135.11670	26.8
137.09618	2.7
137.13232	39.5
141.07004	1.2
142.07780	1.7
143.08542	10.2
145.06441	2.1
145.10103	17.8
147.07986	1.8
147.11671	19.3
148.11876	1.4
149.09608	3.3
149.13234	18.3
151.11150	2.3
151.14777	4.3
155.08524	3.4
156.09329	1.2
157.10092	12.4
159.11665	18.6
161.11966	1.5
161.13222	14.6
163.11212	2.1
163.14795	7.1
167.08549	1.7
169.10080	4.5
169.86951	1.2
170.10811	2.3
171.11647	11.3
173.13226	14.3
174.83121	1.1
175.11082	1.8
175.14775	11.1
177.12766	2.2
177.16411	7.3
179.14252	1.8
179.17917	2.3
183.11642	6.1
185.13239	14.2
187.11159	1.6
187.14777	13.8
189.12727	2.0
189.16380	10.2
191.14230	3.1
191.17909	10.8
193.15855	4.8
195.11497	1.5
197.13240	3.7
199.14761	11.8
201.12698	2.8
201.16336	9.3
203.14301	4.9
203.17915	9.2
205.15845	4.4
205.19482	2.9
207.17439	2.9
209.13162	1.9
211.14778	5.2
213.16370	8.1
215.14343	1.5
215.17975	6.7
217.15858	4.5
217.19492	7.7
219.13776	1.8
219.17427	3.0
219.21063	1.4
221.15315	1.9
225.16298	4.8
227.17921	6.1
229.15903	1.7
229.19435	2.8
231.17349	3.8
231.20988	1.4
233.19078	1.5
235.16931	4.4
239.17900	1.9
241.19589	2.9
243.17334	3.6
243.21063	2.5
245.18813	3.0
249.18494	1.9
253.19577	2.3
255.20930	2.3
257.19147	1.4
257.22479	2.5
261.18469	1.9
267.21106	2.0
271.20526	3.1
273.22202	2.9
279.23218	1.7
281.22552	2.7
297.25604	1.8
383.33173	1.8
393.35110	5.6
405.30884	3.6
405.35150	5.3
411.36124	4.5
423.31442	3.3
423.36972	15.8
441.26758	3.7
441.32455	21.7
441.37717	12.1
442.33749	2.4
443.72955	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.372
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05492	1.0
57.07070	0.8
60.91420	0.4
65.36098	0.4
67.05485	1.6
67.06671	0.3
69.03410	0.8
69.07066	2.0
69.68129	3.0
70.67010	0.4
75.15492	0.3
75.75960	0.4
79.05470	0.7
81.07039	4.2
83.04955	2.1
83.08605	1.2
85.31011	0.4
91.05460	0.9
93.07027	2.5
95.04945	0.8
95.08591	9.4
97.06509	0.9
97.10130	0.4
105.07021	2.2
107.08565	5.5
109.06523	0.4
109.10152	4.0
111.08070	0.6
111.11722	0.9
114.89855	0.4
116.87039	0.4
119.08559	2.8
121.10123	4.4
123.08069	1.1
123.11698	2.4
128.20891	0.3
131.08517	0.8
133.10112	2.5
135.08052	1.3
135.11667	5.0
137.09605	0.8
137.13234	1.8
145.10085	0.9
147.11658	2.0
149.09599	7.0
149.13240	1.6
157.10077	0.4
158.63443	0.4
159.11688	1.3
161.09624	0.4
161.13234	1.5
163.11232	0.6
163.14809	1.3
171.11636	0.7
173.13295	1.3
175.14815	1.8
177.12715	0.5
177.16376	1.4
187.14787	0.4
189.16400	3.3
191.17929	2.8
199.14899	0.5
201.16388	1.1
203.17841	0.6
205.15887	0.4
205.19534	0.7
207.17368	0.6
213.16364	0.6
215.17921	2.3
231.17519	0.6
233.18942	3.5
235.16878	0.9
261.22067	0.5
269.22491	0.7
287.23627	5.0
409.67825	0.3
423.36166	2.1
441.37216	100.0
442.37570	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	441.3723
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05499	3.2
57.07064	1.1
67.05494	2.9
67.57155	0.3
69.07059	4.8
69.51651	2.6
71.04983	0.3
71.08623	0.3
72.69440	0.3
74.54356	0.3
79.05489	2.5
81.07044	6.4
83.04988	0.5
83.08595	1.9
91.05461	2.8
93.07034	5.6
95.04943	0.8
95.08593	11.8
96.08947	0.3
97.06503	0.4
97.10162	3.5
98.20973	1.1
105.07020	4.1
107.08575	10.1
108.48998	0.4
109.06521	0.8
109.09449	0.6
109.10139	7.1
111.08028	0.7
111.11693	1.0
117.07016	1.0
119.08568	9.7
120.08866	0.4
121.06491	1.2
121.10126	8.8
123.08067	2.5
123.11692	3.1
125.09646	0.6
127.11145	0.4
131.08565	3.0
133.10106	6.6
135.08015	1.5
135.11671	7.0
135.12679	0.4
137.09590	5.7
137.13216	1.5
143.08571	0.9
145.10095	5.3
147.11667	6.0
149.09645	1.3
149.13210	3.2
151.11154	0.7
155.08470	0.5
157.10143	1.2
159.11673	5.7
160.12204	0.5
161.09639	0.4
161.13219	4.2
163.11189	1.4
163.14793	2.3
165.12756	0.3
171.11702	0.8
173.13254	4.1
175.11156	0.4
175.14809	2.7
177.12753	0.7
177.16330	1.0
180.32759	0.3
183.11569	0.3
185.13211	1.1
186.33612	0.3
187.14755	2.7
189.16362	7.7
191.14323	0.8
191.17975	1.4
192.18564	0.3
199.14801	1.0
201.16356	3.0
203.14305	0.5
203.17883	2.6
205.15805	0.5
205.19458	0.5
207.17432	5.7
213.16359	1.1
215.17923	5.8
217.19467	4.8
219.17412	4.3
221.18964	0.7
227.17912	0.7
229.19496	0.6
233.19023	0.9
239.18062	0.4
241.19653	0.3
243.21002	0.6
255.20958	0.4
267.21085	0.3
269.22604	0.7
283.24057	0.3
287.23697	0.4
327.26895	0.4
331.26279	4.3
341.28561	0.5
345.27838	14.3
346.28229	0.5
357.27808	1.3
359.29016	0.3
371.29376	1.3
405.35040	0.6
423.36163	5.4
424.36823	0.4
441.37213	100.0
442.37601	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	441.3358
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
54.27115	0.6
55.05501	9.0
55.08938	0.6
57.07066	7.9
65.03936	1.5
67.05493	22.8
68.05836	1.1
69.07056	16.8
71.04997	1.9
71.08617	2.2
71.62951	1.1
79.05478	8.9
81.07043	68.7
82.07349	1.7
83.04948	0.8
83.08606	11.4
83.14788	0.7
85.06530	7.9
91.05464	5.6
93.07034	15.1
95.04984	1.2
95.08591	100.0
96.08939	2.1
97.10160	5.2
105.07018	11.2
106.07341	0.8
107.08570	17.8
109.06506	1.9
109.10139	42.3
110.10475	1.1
111.08060	1.4
111.11711	2.6
113.18982	0.7
115.05447	0.7
117.07007	2.8
118.90473	0.7
119.08561	11.7
120.08913	0.6
121.06484	1.4
121.10117	18.3
123.08031	1.6
123.11687	30.3
125.13223	1.1
129.06984	2.3
131.08551	7.8
133.06511	0.9
133.10112	10.9
135.08006	1.8
135.11676	11.0
137.09622	1.2
137.13232	68.7
138.13618	0.9
141.07030	0.6
143.08527	4.9
145.06432	1.4
145.10091	10.1
147.08008	0.8
147.11656	8.3
149.09596	2.2
149.13232	9.6
151.11258	0.8
151.14804	9.6
155.02727	0.7
155.08534	1.4
156.09355	1.1
157.10114	8.2
158.10825	0.8
159.08125	0.7
159.11670	11.2
161.09566	1.6
161.13254	5.2
163.11139	1.4
163.14801	4.7
165.16377	0.9
167.10638	0.8
169.10101	3.3
171.11667	8.9
173.09641	1.3
173.13225	7.2
175.11182	2.7
175.14778	4.3
177.09068	0.7
177.12744	6.7
177.16396	2.2
179.17892	8.1
183.11685	3.8
185.13243	8.2
187.11180	2.6
187.14764	5.4
189.12715	3.2
189.16327	5.3
191.10716	0.8
191.14282	1.4
191.17923	6.8
193.19437	1.7
195.10153	1.1
195.13852	2.1
197.13223	4.2
199.14767	10.7
201.12723	5.2
201.16353	3.3
203.14262	4.1
203.17938	3.7
205.12160	1.1
205.15855	1.6
205.19519	5.0
207.17497	1.5
209.13324	0.8
211.14880	2.3
213.16223	2.9
215.14297	13.2
215.17902	2.1
217.12274	1.4
217.15848	7.3
217.19473	1.4
219.13771	2.2
219.17354	1.3
219.21002	1.4
223.13225	12.4
225.16393	3.6
227.17909	6.4
229.12155	1.3
229.15921	1.6
229.19450	1.7
231.13782	1.5
231.17471	1.3
233.15388	1.3
235.13162	0.9
239.17950	4.7
241.19530	2.0
243.13805	2.8
243.17374	4.2
245.15320	4.1
245.19005	4.9
247.13312	2.8
247.16983	0.8
249.14725	1.1
253.19519	2.5
257.15353	0.8
257.19028	3.4
257.22861	0.7
259.20636	0.7
261.14832	9.3
263.16431	1.5
265.19388	0.7
267.17368	0.8
271.16974	1.9
271.20532	2.9
273.18472	7.1
285.18472	2.6
287.19910	0.8
289.17993	2.4
291.19516	2.7
299.20050	2.0
303.19559	2.0
321.25812	0.8
339.26859	1.3
351.97113	0.7
377.32022	6.5
395.33066	16.9
396.33340	1.2
405.31512	2.5
423.27429	1.1
423.32407	13.9
424.32748	1.0
441.28412	2.2
441.33490	38.1
442.33646	2.0
451.68378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.4
55.05504	14.2
57.07048	4.6
60.35165	2.0
67.05490	29.6
68.05818	2.1
69.07058	31.9
69.44770	16.5
69.45177	5.3
71.04954	5.2
71.08619	2.2
79.05472	21.4
81.07045	62.3
83.04963	5.2
83.08613	11.2
85.06484	2.5
86.68719	2.0
91.05457	25.4
93.07029	45.6
95.04910	3.6
95.08591	76.0
97.06467	4.1
97.10099	6.2
98.20668	4.4
105.07013	57.2
107.08578	84.4
109.06454	6.8
109.09472	3.2
109.10137	40.8
111.07994	5.4
111.11661	2.9
115.05365	2.8
117.06972	11.6
119.08560	75.9
121.06439	2.9
121.10121	60.0
122.10459	2.3
123.07990	8.4
123.11695	14.0
125.09526	4.4
127.11131	2.5
128.06120	2.5
129.06905	4.7
130.07712	3.1
131.08551	29.6
133.10114	52.7
135.07948	6.6
135.10698	2.3
135.11655	29.6
137.09540	4.9
137.13129	5.2
139.39227	2.7
141.06891	3.5
142.07788	4.2
143.08551	19.1
144.09204	3.9
145.10110	60.7
145.11227	2.1
147.07933	3.1
147.10495	2.2
147.11646	37.0
149.09531	6.4
149.13235	48.1
151.11089	2.7
155.08469	8.4
156.09271	5.1
157.10117	28.6
158.10823	6.1
159.10464	3.8
159.11664	44.5
161.09489	6.4
161.13243	26.0
163.11066	4.9
163.14803	58.0
163.16153	2.2
164.14949	2.2
165.12691	2.9
167.08511	3.0
169.10085	13.9
170.10855	11.7
171.10214	2.9
171.11632	21.7
172.12448	3.3
173.13252	33.5
175.11055	9.2
175.14799	86.0
177.12643	3.4
177.16365	77.1
179.08505	2.9
181.09911	3.4
181.12195	4.8
182.10817	3.1
183.11563	8.0
185.11873	1.9
185.13231	24.5
187.11061	5.3
187.14795	84.4
189.12587	6.0
189.16353	38.7
191.14157	8.6
191.17909	24.5
193.11989	3.0
193.15816	12.3
197.13246	10.4
199.14700	9.6
201.14871	2.0
201.16341	25.1
203.12700	2.2
203.14294	23.2
203.17955	29.7
205.15785	6.4
205.19354	2.4
207.17162	3.0
209.13150	5.4
211.14682	6.8
213.16342	23.8
215.14149	7.4
215.17775	9.3
217.19331	4.7
219.13655	3.1
219.17404	3.9
221.15112	6.0
225.16394	5.4
227.14230	2.9
227.17784	6.7
229.15657	8.3
229.19533	3.1
231.17375	23.6
233.15224	7.5
241.15623	3.4
241.19417	3.3
245.15164	6.4
247.16736	8.2
249.16188	2.7
249.18439	27.4
249.30289	2.3
251.16267	13.7
255.20793	2.9
257.22473	4.1
259.16748	2.2
263.16187	9.3
267.19446	18.8
269.22452	2.6
309.25449	2.8
326.04102	2.1
337.28436	3.2
347.27209	4.0
365.28336	2.6
387.29971	5.8
393.31229	2.6
394.09540	2.4
395.32843	4.9
405.31409	22.6
423.31857	34.0
423.36111	7.0
424.32788	2.9
441.33112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
53.51760	0.8
55.01864	4.3
55.05508	9.1
57.03428	1.6
57.07063	1.7
58.16089	1.1
67.05496	13.8
68.05844	0.9
69.03407	2.2
69.07068	5.7
70.93691	2.4
71.04976	1.5
75.14501	0.7
79.05489	12.2
81.03390	1.3
81.07053	19.2
83.04961	1.9
83.08610	4.0
85.02879	1.5
85.06526	1.9
89.76554	0.8
91.05473	8.7
93.07042	9.4
95.04944	2.7
95.08035	1.4
95.08598	15.6
97.06528	1.3
97.09604	0.8
97.10158	4.1
101.03989	0.9
105.06380	1.0
105.07026	11.2
107.04916	2.7
107.08589	10.9
109.02872	1.0
109.06507	1.8
109.10144	8.0
111.08033	1.8
115.05440	1.9
117.07005	4.6
119.08583	9.7
121.06484	7.8
121.10121	8.7
123.08075	3.1
123.11694	4.5
125.09579	2.0
127.03905	1.2
127.11198	1.0
128.06163	1.5
129.06995	12.0
131.04916	7.1
131.08543	8.1
133.06456	3.3
133.10106	5.9
135.08026	2.7
135.11687	2.7
137.09570	2.4
141.06967	2.8
142.07768	1.1
143.08545	6.6
144.05672	2.9
145.06471	52.6
145.10112	6.4
146.06796	1.1
147.08009	5.3
147.11667	3.1
149.09604	1.9
149.13269	2.2
151.07545	3.0
153.01859	1.1
155.08504	5.0
157.06471	8.3
157.10103	4.9
159.08051	8.2
159.11696	3.1
161.05986	5.4
161.09651	1.9
161.13228	2.0
161.74937	0.8
163.07463	1.0
163.14807	1.5
165.07039	1.6
165.09081	7.5
167.08556	3.5
169.06499	5.2
169.10098	3.6
170.07217	1.5
171.08025	11.3
171.11737	0.9
171.74930	0.8
173.09579	3.0
173.13246	3.1
175.07549	0.9
175.11148	1.3
175.14841	2.3
177.08965	1.0
177.16370	1.7
179.08568	1.6
181.06570	2.0
181.10077	2.5
182.07257	1.6
183.08000	5.1
183.11670	2.7
184.08849	1.0
185.09538	6.4
185.13245	3.0
187.11115	1.5
187.14815	4.1
189.16365	3.3
191.10561	0.9
193.10103	1.7
195.07999	4.9
195.11700	8.7
196.08829	1.0
197.09581	3.7
197.13297	4.5
199.07680	1.1
199.11156	1.8
201.12733	1.6
201.16351	2.0
203.10660	1.1
203.17966	1.5
205.10254	1.2
205.12221	1.9
207.11748	1.5
209.09732	3.8
209.13292	2.7
211.11140	4.2
213.12735	1.8
217.15889	1.0
219.11713	1.1
221.13272	1.9
223.11183	2.3
223.14862	1.1
225.12683	2.6
225.16360	1.0
227.14305	6.1
231.13838	0.9
233.15530	0.9
235.11137	2.0
237.12715	5.9
239.14359	3.0
255.13795	12.7
257.15268	1.0
263.14221	1.5
265.15866	1.4
273.14795	22.0
275.13986	1.3
281.15485	1.8
283.16913	2.4
295.16855	1.8
297.18475	1.6
299.16370	2.1
307.16974	1.2
311.16446	2.2
313.17841	1.2
321.22079	1.1
323.20203	1.4
325.17923	2.3
331.20486	1.0
339.23285	4.7
349.17383	1.0
349.21637	19.9
367.22644	34.5
377.24536	1.6
385.23651	8.7
387.23093	1.2
405.24109	7.9
423.25226	4.3
423.32755	1.0
441.26321	100.0
441.32834	5.2
442.26794	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	441.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57671	0.3
51.51594	0.3
53.03937	0.6
55.01852	0.5
55.05494	0.9
57.03412	1.0
59.04988	0.6
61.02908	0.5
67.05511	0.7
69.03418	2.8
69.07053	2.8
70.06557	0.4
71.04979	39.6
71.62660	0.3
72.93771	0.4
73.02913	0.4
73.06522	0.4
79.05482	0.5
81.03397	2.9
81.07040	0.8
83.04964	0.5
85.02888	3.9
85.06529	5.7
89.05986	0.6
91.05456	0.4
93.07024	0.3
95.04947	1.6
95.08591	0.5
97.02879	3.7
97.06496	0.4
97.10164	1.1
99.04401	0.9
103.07555	0.4
105.07005	0.4
107.07058	0.9
107.08578	0.7
109.02870	2.1
109.06498	0.4
109.10152	0.3
111.04414	0.3
111.08051	0.4
111.11701	0.9
113.05982	6.8
115.07561	0.5
117.05457	0.7
119.08545	0.6
121.86306	0.3
124.07558	0.5
125.08337	0.5
127.03899	4.3
127.07530	17.9
129.05457	0.4
129.09047	0.3
129.12726	1.3
131.07019	12.8
132.95810	1.1
133.02858	1.0
133.10094	0.3
137.05957	0.8
137.09569	0.4
138.06339	0.4
141.05444	0.7
143.07082	1.5
143.08026	0.3
145.04922	1.5
145.08572	100.0
146.08952	1.1
147.04341	0.8
150.96887	0.4
153.01740	0.8
155.07043	1.0
161.08162	0.4
161.13060	0.4
162.96887	0.4
173.08060	2.9
174.96864	1.7
178.02592	0.6
185.08101	0.4
187.05963	0.7
191.09120	12.0
193.04927	7.4
197.18781	0.3
203.06940	0.4
215.09087	0.4
231.88170	0.3
233.10033	0.4
234.98958	0.7
239.03593	0.4
251.03600	1.0
257.10257	1.0
263.03690	0.9
269.04639	0.3
275.11182	1.4
279.13208	1.1
279.16153	0.5
299.11105	1.1
303.58475	0.3
317.12228	2.3
321.07764	1.4
333.07870	0.4
335.13235	4.8
339.08945	0.8
405.17551	1.2
415.28635	0.3
441.12320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.8
67.05502	1.0
67.42073	0.5
69.03406	2.0
69.07050	1.9
69.53730	2.1
69.54156	1.7
71.04985	38.4
71.20833	0.4
71.21284	0.5
81.03410	2.0
85.02892	3.3
85.06528	6.4
89.05996	0.7
91.02950	0.5
95.04980	1.6
97.02877	3.0
98.20815	1.1
99.04433	1.2
107.07034	0.8
109.02856	2.0
111.11712	1.0
113.05984	6.3
124.07779	0.5
127.03913	5.1
127.07539	19.9
127.08463	1.2
129.12740	1.3
131.07027	14.3
132.95796	0.7
133.02856	0.6
145.08582	100.0
146.08911	1.2
155.06998	1.4
168.63699	0.5
173.08049	3.4
187.05980	0.7
191.07407	0.7
191.09135	10.4
193.04956	4.7
209.77475	0.5
240.53627	0.5
251.03659	0.6
257.10083	1.0
275.11179	1.0
299.11298	1.1
317.12335	2.3
335.13153	4.6
405.17334	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36554	0.4
52.58170	0.3
53.03935	0.4
54.16829	0.3
55.05510	0.4
67.05474	1.0
69.03426	2.8
69.07044	1.1
69.66082	1.4
69.66501	1.0
71.04979	40.9
81.03401	3.0
81.07038	0.4
85.02890	3.7
85.06529	5.4
89.06010	2.0
94.69311	0.3
95.04926	1.6
97.02879	3.9
99.04422	1.8
103.07533	0.6
107.07031	1.0
109.02848	2.1
113.05995	5.2
117.05479	3.1
127.03896	4.6
127.07534	16.4
129.93733	0.3
131.07021	10.6
137.09604	0.5
137.82777	0.4
145.04985	1.7
145.08571	100.0
146.08949	1.4
151.07472	0.3
155.06999	1.1
173.08090	2.1
185.08061	0.9
189.56812	0.4
191.09119	7.2
197.08112	1.1
215.09227	0.6
251.11246	1.1
257.10214	0.9
261.13080	0.5
264.82166	0.4
275.11224	4.2
279.15927	0.8
299.11322	0.6
317.12286	1.1
335.13290	2.4
345.15543	0.6
375.32599	0.4
387.16586	0.7
405.17273	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01931	1.4
56.96345	2.5
56.96654	9.2
57.03520	2.5
61.02734	0.8
61.03004	2.7
62.33607	0.8
67.05604	0.9
69.03110	1.4
69.03527	6.5
69.68953	5.8
70.06660	1.7
71.05053	1.3
71.95341	0.9
73.02985	1.6
79.01928	1.1
81.03521	3.0
81.07133	1.0
83.05058	1.3
84.96147	5.9
85.02458	1.5
85.03011	15.6
86.09811	1.0
86.52916	0.7
86.53426	0.7
87.04558	2.0
91.04028	1.0
92.63459	0.7
97.03001	8.9
98.96999	5.5
98.97697	61.4
99.04585	2.2
101.01002	4.8
102.97147	0.8
103.02530	1.0
104.10769	0.8
109.02864	3.7
110.97690	15.3
112.99198	1.2
116.07148	1.3
116.98608	41.8
119.01911	12.5
120.02036	1.1
121.01714	1.7
123.04552	1.0
124.99173	1.2
125.02502	0.8
127.00722	0.9
127.02541	1.1
127.03900	8.0
128.04382	0.8
128.98590	26.3
129.04100	1.2
131.00273	2.1
131.01894	5.4
131.07135	1.3
133.01822	1.2
133.03540	3.7
134.99651	17.2
135.03250	1.4
136.07747	0.8
137.03033	2.2
137.04916	0.6
137.06108	2.2
139.00847	0.9
139.03967	1.3
140.00258	1.9
140.98538	5.6
143.00169	8.7
143.01842	5.9
143.03523	1.2
144.01990	1.1
145.00821	1.2
145.03461	5.2
145.04941	4.3
145.51012	0.7
146.03653	0.8
146.99635	19.5
147.03294	1.7
147.05133	1.8
149.01250	1.7
149.03114	1.0
149.04945	1.1
151.04567	0.9
152.00459	0.7
152.98723	3.0
153.00684	1.7
153.01796	21.6
154.02277	2.0
155.00175	1.4
155.01883	3.7
157.03465	5.7
158.01321	1.1
158.99649	30.1
159.03317	1.4
159.05043	0.9
161.01324	14.6
161.03050	13.1
162.03143	0.9
163.02779	1.8
163.04628	3.9
163.06088	0.7
165.00800	1.4
165.04239	1.0
167.02013	1.8
167.07060	1.3
169.01910	1.5
169.03537	2.2
170.01439	1.0
170.99631	23.9
171.03091	1.5
171.05116	3.1
173.01329	2.3
173.03056	8.4
174.03143	1.3
175.02815	2.2
175.04594	4.1
177.00699	37.4
177.04198	1.5
178.01202	1.1
179.02187	3.8
179.05786	1.0
181.01930	0.8
181.03751	0.8
181.05615	2.9
181.51846	1.0
182.99643	11.5
183.03583	0.8
183.05145	2.1
184.04538	1.0
185.01416	1.4
185.03032	4.8
185.06694	1.2
186.03142	0.8
187.02905	1.3
187.04597	3.9
189.00688	31.7
189.04390	1.5
189.06160	2.0
191.02304	3.5
191.03905	1.3
193.03581	1.0
195.00017	0.9
195.01712	3.7
195.07140	1.0
197.02902	4.3
199.02859	0.9
199.04562	2.0
200.02419	2.2
201.00679	51.3
201.06146	2.4
203.02338	1.2
203.04059	5.8
203.05745	1.7
203.07657	1.3
204.03952	1.2
205.03722	1.5
205.05568	9.3
207.01759	7.2
211.00998	0.9
211.04559	1.8
212.02394	2.3
213.00684	4.3
215.02234	0.9
215.04097	1.2
217.05521	9.3
217.07304	0.9
219.01732	51.6
219.07204	2.8
221.05112	4.1
221.06985	2.3
223.04736	1.7
224.02339	2.0
225.00618	0.8
229.05588	0.9
231.01701	6.2
231.07152	1.9
232.03384	1.3
232.53348	1.1
232.56549	0.8
233.03299	2.1
233.06931	1.8
237.02794	25.2
237.05113	1.4
239.04112	1.0
241.05579	2.8
242.03363	2.4
243.01718	20.6
244.04474	0.9
245.05060	10.3
246.05327	1.3
247.02585	1.0
247.04489	1.6
247.06616	3.4
249.02815	2.5
249.05930	0.8
249.08282	1.1
255.03952	1.7
255.07054	1.1
259.06564	2.7
260.04489	0.9
260.58105	1.1
261.02789	100.0
261.08566	2.3
262.03192	1.5
263.05991	1.3
269.58002	1.4
270.08252	1.3
271.06262	1.0
273.02747	8.1
273.08133	1.3
277.07736	20.5
279.03839	63.3
280.04254	1.6
284.04306	1.1
291.03848	18.0
291.09216	2.6
297.05035	3.2
302.05481	6.3
303.00980	1.2
303.04108	1.0
307.08759	32.5
308.08774	2.1
309.04755	2.2
314.05298	1.3
317.07990	0.9
321.04877	49.2
321.10199	4.4
322.05161	1.1
322.10471	1.6
323.06564	1.0
323.10159	13.5
333.04843	7.2
335.08130	1.0
336.06848	1.1
337.09659	2.0
351.02518	0.9
351.05731	12.8
351.11026	3.2
352.11426	1.4
353.11081	1.1
363.02032	1.1
365.08795	1.0
381.06628	5.8
381.11896	2.8
399.07813	5.5
417.11099	1.0
423.13092	1.0
441.08887	46.1
442.09918	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.0
54.03082	1.0
56.96289	1.2
56.96553	17.0
57.03403	2.6
61.02909	1.9
61.69395	0.8
69.03420	5.1
70.06581	7.2
71.15764	0.9
71.61413	1.3
73.02872	2.0
81.03368	3.0
84.96014	8.1
85.02895	14.2
86.09659	4.4
91.05432	2.1
96.65368	0.9
97.02873	9.1
98.97569	76.1
101.00864	1.4
102.80607	0.9
102.97020	1.3
103.05418	1.2
109.02856	1.7
110.97537	16.0
112.99106	1.0
114.05479	1.4
116.07087	9.6
116.98608	52.1
117.98970	0.9
119.01907	6.4
121.01594	1.2
124.99036	1.3
127.03911	5.4
128.98592	29.5
131.00101	1.4
131.01880	2.5
132.10165	1.7
133.03418	2.1
134.99641	25.6
136.07570	11.2
137.05899	2.2
140.00159	1.4
140.98573	7.1
143.00159	9.2
143.01826	3.5
144.98006	1.4
145.01627	1.2
145.03394	2.6
145.04877	2.6
146.99634	22.6
149.01173	1.6
151.00807	1.4
152.00069	1.1
152.98526	3.3
153.00584	3.4
153.01765	6.7
155.01834	2.2
157.03423	1.1
158.01207	1.1
158.99634	36.9
159.03076	1.1
161.01140	19.6
161.02841	6.2
161.06471	1.5
163.02647	1.2
164.80075	1.1
165.00644	3.7
170.01096	2.0
170.99623	23.3
171.05017	1.0
173.01172	2.9
173.02852	4.5
175.02727	1.3
175.04382	1.5
177.00684	46.7
177.04086	2.2
178.01035	1.3
179.02148	2.7
181.03658	1.4
182.98218	1.4
182.99631	13.4
185.02905	2.8
187.04395	1.7
188.99014	2.0
189.00691	39.8
189.05984	1.5
191.02124	1.3
193.00116	1.7
194.99825	1.1
195.01772	4.9
195.04953	1.2
197.02946	1.2
199.04527	1.1
200.02342	2.2
201.00676	55.9
203.02151	1.2
203.03911	2.8
207.01738	8.8
207.04999	1.4
212.02219	1.3
213.00676	5.5
215.07695	1.0
217.05537	1.2
217.07401	1.6
219.01738	63.2
221.04982	3.0
224.02271	2.1
225.00681	1.3
229.01747	1.4
231.01683	6.3
233.03314	1.4
237.02806	25.1
242.03326	2.4
242.99380	1.7
243.01706	20.9
245.05093	5.2
245.07196	1.1
247.02640	1.3
249.02629	2.1
250.10518	1.1
255.03503	1.2
259.02039	1.4
261.02792	100.0
273.02725	7.2
274.97375	2.1
275.06097	1.2
277.03299	2.9
277.07767	4.5
279.03854	69.8
279.06851	2.3
279.13361	7.3
291.03809	19.6
291.08905	1.2
297.04611	3.3
299.53284	1.0
301.00836	1.1
302.05487	6.4
303.01038	4.7
303.04071	1.3
305.10672	1.4
307.10873	1.8
309.04803	2.0
314.05334	1.4
321.04886	52.6
333.04767	8.3
351.05939	11.4
379.00977	1.0
381.06790	6.8
381.11349	2.0
399.08218	6.5
402.39319	1.3
441.08810	40.5
442.09015	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01863	7.6
55.05497	6.3
57.03432	16.1
61.02914	6.3
64.08199	1.8
67.05491	5.1
69.03419	25.4
69.07059	100.0
70.07392	1.5
71.01347	5.0
71.04973	3.8
71.37521	1.6
71.62886	2.3
72.04553	1.7
73.02908	16.8
79.05485	2.1
80.83219	1.4
81.03402	6.9
81.07058	10.5
83.04956	2.0
85.02894	61.8
85.06525	5.6
87.04439	3.9
91.03970	1.5
91.05495	2.4
93.07032	5.1
95.04962	3.5
95.08595	5.0
97.02881	32.4
99.04427	4.2
103.03935	1.6
105.07005	4.5
107.04974	2.7
107.08578	5.2
109.02858	5.3
109.06523	3.9
109.10144	4.7
110.03321	1.6
111.04453	2.8
111.08065	6.7
111.11700	38.6
111.12423	2.5
115.03924	13.7
119.08585	3.5
120.06735	1.5
121.06476	2.4
121.10132	4.7
123.11722	2.3
124.07556	3.8
125.09653	1.8
127.03883	18.7
127.11147	2.6
129.12735	64.9
131.08548	2.7
132.06531	1.7
133.04950	19.8
133.10069	2.4
135.11653	2.3
137.05945	4.2
137.09625	2.2
139.11168	2.5
141.12718	17.3
145.04938	16.6
145.65511	1.7
147.11646	2.7
148.07567	3.3
150.07599	6.3
155.10666	1.8
159.11646	2.4
161.09680	2.2
163.06024	6.0
163.11182	1.6
167.07065	2.5
171.06439	1.7
179.10635	2.3
181.12335	2.0
195.13803	3.6
197.11739	2.4
207.13814	1.6
219.13742	3.9
237.14774	7.9
243.15775	2.4
255.15848	8.0
259.08252	4.2
273.16876	7.8
279.15958	1.9
291.18069	8.5
295.10089	1.9
440.17194	2.4
440.22379	2.0
440.29929	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3926
Annotation	Neocyclonervilasterol
Peak:m/z	Relative Intensity
55.05502	17.9
55.98570	2.4
57.07059	6.7
59.35916	2.5
61.73626	2.5
67.05495	22.6
69.07059	33.4
69.63047	19.7
79.05468	12.7
81.07044	69.6
83.08606	19.8
91.05463	10.5
93.07026	37.1
93.72252	2.9
95.08591	96.0
97.10117	13.5
105.07008	26.6
107.08575	52.6
109.10138	69.3
111.08071	5.2
111.11690	3.4
117.07001	5.1
119.08569	54.7
121.10131	42.6
123.08050	3.8
123.11703	40.7
125.13248	2.8
131.08533	11.6
133.10106	33.6
133.70161	2.9
135.11662	37.9
135.55638	3.0
137.13264	19.1
145.10101	24.4
147.11658	30.5
149.13231	32.1
151.14813	3.9
157.10106	4.0
159.11681	22.6
161.13206	27.4
163.14799	24.6
171.11694	6.8
173.13232	18.0
175.14795	34.3
177.16405	17.5
179.14214	4.0
185.13229	5.9
186.13998	3.0
187.14796	28.3
189.16350	55.3
191.17908	13.4
193.15820	6.9
193.19481	4.0
199.14789	4.7
201.16380	31.5
203.17918	17.4
205.15738	5.2
205.19527	10.8
207.17458	10.9
213.16344	5.5
215.17944	23.8
217.19464	19.1
218.12141	2.9
219.17451	9.1
219.21069	12.4
227.17972	5.5
228.97218	2.9
229.19537	11.8
230.45377	2.9
231.21098	13.8
233.18925	9.0
233.22586	6.6
239.14882	2.8
241.19536	3.8
243.21112	8.1
245.22693	4.2
255.21091	4.7
269.22632	6.7
271.24020	3.7
273.22119	3.7
273.25522	3.0
290.65558	3.3
297.25739	14.0
311.27850	3.0
315.26822	8.1
365.32050	4.5
421.38269	73.5
422.38574	8.2
430.23001	3.3
439.39316	100.0
440.39694	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	439.3564
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03937	1.2
55.05503	9.7
57.07049	1.7
67.05479	5.1
69.07057	13.2
69.36013	7.9
69.36441	4.1
71.08613	1.3
73.26627	1.0
78.97983	1.1
79.05455	3.3
81.07043	17.5
83.08609	9.2
89.91267	1.2
91.05441	2.6
93.07027	7.7
95.08051	1.9
95.08595	28.0
97.06486	1.6
97.10156	8.8
100.75556	1.1
101.05967	2.0
105.07008	7.9
107.08578	13.7
109.09472	1.4
109.10143	20.1
111.11680	5.3
114.25959	1.0
119.08543	10.2
119.34801	1.2
121.09460	1.0
121.10130	12.4
123.08039	1.2
123.11694	11.8
125.13215	1.5
131.08504	4.7
133.10115	8.2
135.11656	9.2
137.13205	6.7
143.08621	1.2
143.10573	1.5
145.10103	9.2
147.11665	9.9
149.13243	6.6
151.14818	2.2
153.09030	1.7
157.10088	3.7
159.11661	9.7
161.13237	5.6
163.14778	4.2
167.10553	2.6
171.11624	3.7
173.13251	8.4
175.14763	4.9
177.16299	3.0
179.17938	2.0
185.13170	3.3
187.14827	6.0
189.16338	4.9
191.17934	8.4
199.14774	2.8
201.16296	4.2
203.17903	5.8
205.12236	1.2
205.19450	4.1
207.17317	1.4
213.16293	2.5
215.14362	1.4
215.17824	3.5
217.19420	4.0
223.16811	3.1
227.17990	2.4
229.19519	6.1
231.13817	1.3
231.21056	2.5
239.14842	2.0
241.19574	1.8
243.13713	1.7
243.21066	5.5
247.16875	2.2
255.21011	6.4
257.22513	2.4
259.16898	1.8
261.18274	1.7
267.11105	1.2
269.22556	5.8
275.20081	2.5
283.24136	1.6
285.25687	3.3
287.19992	6.3
297.25601	7.3
299.27197	1.4
301.21658	2.8
311.27078	2.6
315.23047	2.0
325.28940	1.7
329.24573	2.1
338.29553	1.6
339.30304	2.0
355.26193	2.7
369.27548	3.7
396.29962	2.6
397.30688	2.1
421.33920	1.4
439.35440	100.0
440.35727	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	439.3564
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03912	1.1
55.05507	8.5
57.07050	2.2
59.04988	1.7
61.80084	0.7
62.85445	0.6
67.05169	1.0
67.05494	13.4
69.03412	2.1
69.06713	1.0
69.07059	13.2
71.04983	0.8
71.36874	1.7
79.05476	5.5
81.06576	1.2
81.07046	23.5
83.04963	3.4
83.08604	5.9
84.30543	0.6
86.09681	1.3
86.71784	0.7
89.06036	0.8
91.05465	4.0
93.07033	12.9
95.04944	3.2
95.08594	72.1
97.06503	1.3
97.10156	3.6
99.08062	1.3
103.07663	0.7
105.07012	9.4
107.08582	18.5
109.06488	4.2
109.10142	23.4
111.08079	1.8
111.11698	2.9
117.06974	2.2
119.07783	1.3
119.08569	18.6
121.06477	2.6
121.10126	18.8
123.08044	5.9
123.11687	10.6
125.09593	1.4
131.08577	4.5
133.10114	15.2
135.08025	4.3
135.11678	11.3
137.09584	2.3
137.13257	6.9
143.08549	1.9
145.10107	8.6
147.08043	0.9
147.11676	8.3
149.09605	9.4
149.13248	8.9
151.11101	1.9
157.10083	4.0
158.10881	1.4
159.08028	1.7
159.11665	7.3
160.70049	0.7
161.09598	2.5
161.13222	6.6
163.11200	3.2
163.14795	4.2
169.10034	1.0
171.11630	3.0
173.09593	2.1
173.13245	6.7
174.05534	0.7
175.11153	2.0
175.14786	6.1
177.12717	2.8
177.16371	2.6
183.11650	1.3
185.13193	2.6
187.11156	0.8
187.14760	6.8
189.12709	2.4
189.16345	9.4
191.14220	1.3
191.17889	6.0
193.15752	0.8
197.13275	1.5
199.11072	0.7
199.14748	3.1
201.12804	1.0
201.16339	3.6
203.14188	0.8
203.17946	4.9
205.15884	1.4
205.19487	2.4
207.17410	2.4
213.16322	2.7
215.14272	2.5
215.17879	4.0
217.15877	2.5
217.19490	2.4
219.17509	1.3
219.21028	1.0
223.14790	1.2
225.16359	1.4
227.17896	1.4
229.15871	1.0
229.19586	1.4
231.17368	2.0
231.21040	2.0
233.18948	2.6
241.15999	0.8
241.19402	1.5
243.17432	1.0
243.20976	1.1
255.21004	1.0
269.22531	1.1
283.20599	1.6
287.23642	2.4
299.62192	0.7
301.21524	1.1
309.25491	1.0
327.26831	4.2
351.30286	1.0
357.27795	0.9
367.29883	1.2
381.31607	1.8
393.30969	1.3
393.35486	1.1
403.33435	1.5
421.34494	29.4
422.34891	1.0
439.35596	100.0
440.35995	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	439.3564
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03939	1.5
53.34181	1.1
54.25035	1.1
55.05505	7.2
57.03422	1.4
57.07063	2.0
64.10558	1.2
67.05494	10.8
67.29660	1.1
69.07054	12.8
69.54155	10.2
71.04988	14.6
76.45883	1.2
79.05474	6.9
81.07049	31.2
83.08623	4.4
91.05460	8.8
93.07026	16.9
95.04980	1.8
95.08597	32.0
95.98252	1.2
97.10181	2.7
98.20786	2.4
99.08099	3.0
105.07014	17.9
107.08580	28.7
109.06506	2.3
109.10146	26.1
111.08054	2.1
116.06168	1.3
117.07034	3.9
119.08576	32.2
121.06528	1.6
121.10118	25.7
123.08066	3.8
123.11687	11.8
125.09601	2.4
127.11171	22.1
129.07007	2.1
131.08557	14.4
133.10117	33.1
133.11075	2.3
135.08014	2.4
135.11673	14.1
137.09625	3.4
137.13243	6.6
142.07782	1.5
143.08566	5.5
144.09329	2.2
145.10114	24.6
147.11671	15.5
149.09663	2.0
149.13225	13.5
153.12746	3.4
155.08508	1.5
156.09291	2.2
157.10136	11.0
158.10913	4.5
159.11670	32.6
161.13251	19.0
163.11163	2.0
163.14803	9.8
165.12805	2.4
169.10152	4.1
170.10892	2.8
171.11674	11.4
172.12520	3.2
173.09561	1.2
173.13245	29.5
175.11270	1.6
175.14819	20.2
177.16333	6.4
183.11743	5.0
184.12447	2.9
185.13245	11.7
187.14801	27.0
187.16402	1.7
189.12671	1.3
189.16339	10.9
191.14279	23.3
191.17912	8.0
193.15964	2.7
197.13255	5.1
199.14777	25.1
201.16357	59.5
203.17963	3.2
205.15862	7.7
209.13220	2.3
211.14828	7.1
213.16328	8.4
215.14449	1.7
215.17921	8.9
217.15919	5.2
217.19530	5.1
219.17349	2.0
221.13254	1.7
223.14890	2.6
225.16393	5.5
227.18039	6.9
229.19455	7.3
231.17406	1.6
233.19133	1.9
235.20593	3.3
237.16290	2.9
239.18013	2.8
241.19557	3.7
243.21027	1.7
245.19063	2.2
247.20715	2.0
251.17877	3.0
253.19547	3.0
255.21114	2.2
257.19135	1.3
259.20593	11.7
265.19424	2.4
267.21167	3.0
277.21667	7.2
279.21027	3.3
281.22559	3.1
285.22263	1.4
293.22580	1.6
295.24194	2.0
299.23685	2.0
307.39734	1.3
313.25208	1.7
317.24731	2.9
323.27222	2.3
335.27258	9.1
339.26855	1.9
343.26328	2.0
351.27069	1.6
353.28360	5.0
365.28067	2.7
403.33609	8.5
421.34628	100.0
422.35040	6.0
439.35757	76.9
440.36136	4.9
462.28381	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	11.9
57.07074	5.7
67.05497	13.8
69.07058	18.2
69.39305	2.3
69.39704	16.9
70.04825	1.9
76.80877	1.6
79.05492	8.7
80.44359	1.9
81.07043	26.2
81.07502	2.0
81.62368	1.7
83.08607	10.1
83.13354	1.6
84.79559	2.0
91.05486	8.0
93.07028	22.1
95.08590	57.5
97.10175	6.3
103.34145	1.8
105.07022	18.4
105.07655	1.9
107.08582	36.3
109.10139	33.4
119.08572	41.6
121.10129	34.7
123.11694	20.9
131.08577	5.2
132.76990	1.9
133.10107	35.7
135.08113	1.8
135.11661	28.1
137.13252	14.4
144.62442	1.7
145.10143	7.7
147.11662	28.7
149.13234	23.9
151.14845	2.0
153.09146	5.4
157.10153	2.2
159.11687	9.1
161.13258	21.2
163.14816	16.7
167.10756	3.7
171.11728	2.5
173.13290	7.0
174.14093	2.2
175.14812	10.9
177.16310	8.0
179.18010	2.4
181.12314	1.6
185.13297	3.6
187.14871	7.8
189.16353	54.2
191.17915	86.2
199.14761	2.3
201.16365	15.7
203.17918	100.0
204.18361	2.5
205.19495	29.4
207.17458	1.9
213.16425	2.7
215.18030	7.5
217.15939	3.2
217.19432	15.6
221.19118	6.6
227.17882	2.1
229.19551	3.7
231.17532	3.4
231.21124	5.9
235.16856	8.9
241.19585	3.3
243.21190	2.8
245.22661	4.0
247.16933	9.8
249.18474	23.6
255.21106	3.8
259.17010	2.4
261.18631	6.4
269.22754	2.1
393.35135	14.2
421.34796	3.6
439.35822	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54903	0.9
53.03939	1.1
55.05502	7.0
57.07071	9.3
63.64029	0.8
67.05167	1.5
67.05495	20.5
69.07057	14.9
70.22038	4.5
71.08612	2.4
79.05484	7.8
81.07044	70.8
83.08604	7.4
91.05454	5.1
93.07025	8.6
95.08591	100.0
96.54951	0.8
97.10155	4.5
105.07005	8.6
107.08577	12.3
107.92545	1.0
109.10139	39.1
111.11718	1.3
117.07026	1.0
119.08556	8.2
121.10126	8.7
123.11686	38.0
125.13255	1.8
129.06915	1.1
131.08546	7.5
131.89177	0.8
133.10112	8.0
135.08049	2.2
135.11630	6.4
137.13231	61.6
138.13602	1.0
143.08562	3.6
145.10075	8.6
147.11671	4.6
149.13210	6.2
151.14790	4.0
157.10095	5.0
159.11693	6.8
161.13222	3.1
163.14830	2.5
169.10109	1.1
169.57919	0.8
171.11652	8.4
173.13229	7.1
175.14839	4.4
177.16370	2.4
179.17894	12.5
185.13226	3.9
187.14804	5.6
189.16287	5.2
191.17896	2.1
193.19495	1.5
199.14780	11.5
201.16362	6.5
203.17990	2.7
205.12180	1.1
205.19504	3.2
213.16341	10.5
215.17915	9.4
219.13724	2.0
225.16399	1.0
227.17969	3.1
233.15300	1.5
241.19484	9.2
243.20970	7.1
245.15414	2.4
255.20981	6.5
259.16919	11.2
261.18500	2.0
269.22620	6.5
273.18555	1.4
287.20123	2.8
289.21478	1.8
301.21478	1.2
315.23172	1.9
393.35083	25.8
439.35605	21.3
449.69058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3564
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03950	0.8
55.05499	7.5
57.07067	2.8
60.99658	0.9
67.05494	10.9
69.03429	1.2
69.07055	12.8
71.04981	11.5
72.00259	1.0
79.05480	5.9
81.07049	20.1
83.04977	1.4
83.08614	6.1
91.05466	9.6
93.07031	16.7
95.04944	1.1
95.08592	38.1
97.10142	2.2
99.08080	2.9
105.07019	20.2
107.08581	26.1
107.09285	1.9
109.06538	1.7
109.10139	30.2
111.08064	1.1
113.09643	0.8
115.05493	1.1
117.07001	3.9
119.08566	29.5
121.10126	24.3
123.08092	1.6
123.11697	9.4
125.09624	4.1
127.11169	18.8
129.06996	3.2
130.07802	1.8
131.08548	15.5
133.10109	30.1
135.07980	2.1
135.11670	16.7
137.09581	1.5
137.13235	3.5
141.12749	0.9
142.07768	2.1
143.08560	7.6
144.09325	1.9
145.10104	25.9
147.11667	20.5
149.09627	1.6
149.13232	11.7
151.11113	1.3
151.14781	1.9
153.12772	1.4
155.08542	2.5
156.09312	2.2
157.10104	12.5
158.10883	2.5
159.11659	23.3
161.09573	2.2
161.13220	15.6
163.11168	1.1
163.14810	7.1
165.12721	2.0
169.10168	4.0
170.10902	1.8
171.11678	11.9
172.12466	2.0
173.13234	19.0
173.14638	1.3
175.11209	0.8
175.14792	12.4
177.12730	1.1
177.16382	3.3
178.16718	0.9
179.14391	1.3
183.11606	6.4
184.12505	2.2
185.13242	11.2
186.14035	1.2
187.14798	15.8
187.16412	1.2
189.16347	20.3
191.14378	1.9
191.17912	5.4
195.11714	2.3
196.12506	1.3
197.13254	6.6
199.14772	17.4
199.82849	0.9
201.16353	27.6
203.14372	1.8
203.17917	21.6
203.19702	1.5
205.15939	3.9
205.19586	2.6
207.17448	2.4
209.13278	3.2
210.14345	1.0
211.14735	5.9
213.16333	7.6
215.17934	12.8
217.15923	5.6
217.19495	5.4
219.17459	4.1
221.19005	1.6
223.14886	3.2
225.16417	4.2
227.17975	4.0
229.19592	4.1
231.17502	3.8
231.21129	1.2
233.19069	3.3
237.16342	1.6
239.17909	5.2
241.19490	3.7
243.17520	1.4
243.21118	1.7
245.18935	1.3
251.17975	4.2
253.19411	4.6
255.21027	2.8
257.18988	1.1
257.22583	1.3
259.20615	1.9
265.19534	2.3
267.21008	6.0
271.20416	2.1
273.22015	2.3
277.19370	1.3
279.21060	5.4
281.19699	1.0
281.22665	4.0
283.20575	2.2
285.22031	1.4
287.23773	1.1
291.20947	1.9
293.22595	2.4
294.23499	2.2
295.24326	1.1
297.22125	1.3
299.23810	4.9
311.24026	1.4
313.25348	1.1
325.25400	2.6
335.27197	6.5
337.25229	1.2
339.26886	1.5
343.26587	1.8
351.26846	1.5
353.28314	4.6
361.28860	1.2
365.28259	1.3
379.30084	1.3
403.33514	7.7
421.34631	66.8
422.34982	2.8
439.35770	100.0
440.36099	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	439.3566
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03927	1.0
55.05506	9.0
57.03423	1.4
57.07071	2.1
65.03937	1.5
67.01357	0.8
67.05498	19.1
68.05863	0.8
69.03415	2.5
69.07056	14.7
69.53983	4.1
69.54398	2.4
71.04983	5.3
77.03960	0.9
79.05492	8.1
79.24028	0.9
81.03416	2.7
81.07049	25.8
82.07348	0.9
83.04977	1.1
83.08616	6.2
85.02895	1.6
85.06517	1.9
87.39799	0.8
91.05461	8.9
93.07034	18.9
95.04957	2.9
95.08598	31.1
97.06529	1.6
97.10167	2.9
99.08029	0.8
105.07016	17.0
107.05009	1.1
107.08579	28.2
109.06519	3.1
109.10144	28.6
110.10493	1.4
111.08092	2.8
111.11742	1.2
111.54893	0.8
117.07008	3.0
119.08566	27.8
121.06490	4.1
121.10127	19.1
122.10469	1.0
123.08022	3.1
123.11700	8.2
125.09612	2.7
127.11149	9.4
128.06200	0.9
129.06963	2.8
131.08551	9.2
133.06483	1.7
133.10123	21.9
135.08073	5.0
135.11665	13.2
137.09610	1.8
137.13200	6.1
139.07523	1.1
141.06966	1.3
142.07770	1.4
143.08542	6.2
145.10101	16.5
147.08028	2.8
147.11682	16.4
149.09605	3.6
149.13243	11.2
151.11189	6.1
155.08551	2.3
156.09283	1.1
157.10123	8.1
158.10936	1.1
159.08224	1.1
159.11697	14.2
161.09589	4.7
161.13226	10.9
163.11180	3.0
163.14809	9.6
165.12814	1.6
169.10144	3.6
171.11641	7.3
173.09656	1.2
173.11826	1.4
173.13182	11.0
174.13672	0.8
175.11142	4.0
175.14839	9.1
177.12735	2.6
177.16368	4.5
179.14302	1.2
181.10120	1.4
183.11661	4.1
185.13242	5.1
187.11119	1.0
187.14789	12.6
189.12674	4.8
189.16373	19.6
190.16708	1.2
191.14273	3.4
191.17963	4.7
193.12271	1.8
193.15916	1.2
195.11653	1.6
197.13258	4.0
199.14804	10.0
200.15515	1.1
201.12680	1.4
201.16351	10.0
203.14317	1.6
203.17938	9.1
205.15910	2.3
205.19421	1.3
207.17422	2.3
209.13345	2.0
211.13235	2.7
211.14835	3.4
213.16396	5.0
215.14290	1.7
215.17906	5.7
217.12306	2.0
217.15814	8.1
217.19438	5.0
219.17494	1.3
221.15309	1.2
223.14841	1.9
224.15764	0.9
225.16373	4.1
227.17944	2.5
229.15895	1.6
229.19467	1.9
231.17426	3.6
231.21115	1.5
233.18967	1.6
237.16367	1.6
239.17847	4.1
241.19504	1.5
243.17438	1.8
243.21051	1.7
251.17935	2.5
253.19521	3.0
255.21133	1.6
259.20438	1.5
265.19388	2.3
267.21121	1.4
269.19046	1.1
269.22577	1.5
279.21008	2.8
281.22617	1.8
283.20493	0.8
285.22073	1.9
293.22549	1.1
295.24182	1.6
311.23746	1.0
313.24844	0.9
315.23190	1.1
325.25189	2.5
329.24838	1.6
335.27325	1.8
339.26938	5.1
351.26923	1.4
353.28348	2.9
357.27618	1.5
374.93597	0.9
393.31128	1.2
395.32867	0.9
403.33603	3.2
421.34961	26.0
422.35034	1.1
429.58240	0.9
439.26328	4.0
439.36047	100.0
440.36603	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	439.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
53.67512	0.7
55.01859	2.2
55.05500	14.7
56.79641	0.8
57.02025	1.0
57.03431	7.2
57.07063	2.0
59.04995	5.8
60.35923	0.9
61.02908	1.2
65.03929	3.0
67.05495	100.0
68.05827	1.0
69.03424	4.9
69.07059	7.8
70.04831	2.6
70.05236	1.2
71.04983	5.7
72.50542	1.0
77.92049	0.8
79.05483	16.5
81.03407	31.7
81.06568	1.9
81.07046	32.8
83.04970	6.5
83.08604	20.4
85.02894	19.1
85.06519	4.8
91.05467	21.8
93.07031	17.9
95.04961	15.1
95.08593	17.8
97.02880	3.4
97.06523	3.0
97.10150	3.2
99.08083	2.0
105.07014	16.1
106.64227	0.9
107.04969	4.0
107.08576	12.5
109.02876	1.1
109.06516	4.1
109.10139	72.4
110.10489	0.8
111.04417	2.5
111.08067	11.2
113.06013	2.3
115.05419	1.1
117.07011	1.9
119.04911	1.4
119.08568	21.2
119.12291	0.9
120.08076	3.0
121.06519	3.8
121.10117	11.2
123.08042	3.5
123.11684	4.5
125.05934	1.2
125.09613	2.3
127.03893	1.5
129.06999	6.2
131.08563	7.1
133.06482	2.0
133.10117	11.1
135.08041	1.8
135.11688	2.4
137.05934	1.7
137.09558	6.5
137.13277	1.3
139.11162	1.7
142.07738	1.1
143.08517	2.1
144.09410	0.8
145.10094	5.2
147.04376	1.2
147.08051	3.3
147.11674	10.1
149.09616	5.3
149.13245	2.3
151.07491	1.5
151.11212	1.5
155.10648	3.1
157.10110	9.1
159.09235	1.3
159.11674	3.2
161.09602	2.1
161.13301	2.4
163.11182	1.8
165.09128	2.5
165.12756	2.8
167.07091	1.1
169.10106	1.2
171.11635	1.8
173.11742	19.0
173.13249	2.0
175.08775	1.3
175.11180	8.4
175.14821	3.0
177.16347	1.1
177.82829	0.8
181.08501	0.8
185.13239	2.3
187.14833	4.4
189.12711	2.0
189.16357	1.1
191.14265	1.5
193.12219	29.9
194.12515	0.8
199.14835	2.0
201.16425	2.0
203.14291	2.1
203.17946	1.4
203.86652	0.8
211.13251	37.0
212.13695	0.8
213.16438	1.1
215.14365	1.1
229.12326	1.0
229.14388	4.4
249.15053	1.4
259.20685	2.2
267.15884	4.4
277.21579	7.4
393.31430	1.2
403.23636	0.8
403.28586	1.2
421.25793	3.5
421.30743	1.7
439.26859	97.9
440.27264	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01859	2.0
55.05501	16.4
56.03900	0.9
57.03425	7.1
57.07045	1.6
59.05001	4.9
65.03910	3.1
67.05493	100.0
67.88084	1.1
69.03397	2.1
69.07059	7.5
69.56570	7.9
69.63602	0.8
71.04987	6.0
77.03909	1.0
79.05050	1.3
79.05476	14.7
81.03403	28.9
81.07040	34.6
83.04979	5.3
83.08601	18.3
84.40442	0.8
85.02415	1.4
85.02892	16.0
85.06516	2.8
91.05463	24.6
93.07027	15.3
95.04951	13.9
95.08589	16.2
97.06505	2.3
97.10136	3.3
105.07006	15.1
107.04945	2.3
107.08561	11.0
109.06494	3.9
109.10140	72.2
110.10498	1.0
111.08060	9.3
113.05972	1.5
117.06973	1.7
119.08559	19.2
121.10122	9.7
123.08022	1.4
123.11685	3.9
125.09623	2.3
127.07587	1.2
127.62601	0.9
129.06960	5.7
131.08530	7.8
133.10121	9.0
135.08040	2.6
135.11685	2.4
137.09579	4.4
137.13210	1.0
142.07790	2.0
143.08557	1.9
145.10118	4.1
147.08022	2.6
147.11652	10.1
149.09573	3.4
149.13248	2.2
155.10602	5.3
157.10124	7.9
159.11671	3.4
161.13263	2.4
163.14798	1.1
165.12714	3.3
171.11688	1.3
173.11722	19.9
173.13147	2.3
175.11140	6.9
175.14857	1.7
177.12695	0.9
179.14331	1.1
183.11790	1.2
185.13217	1.0
187.14786	2.9
189.12758	1.6
189.16338	3.4
193.12201	28.8
194.12628	1.3
207.17375	1.5
211.13245	37.5
217.12189	4.1
217.15746	1.5
225.04263	1.1
229.14377	4.0
231.21129	1.4
235.16904	1.5
267.15799	6.8
269.80051	1.1
393.31543	1.3
412.61795	1.1
421.25992	4.9
439.26819	93.3
439.31909	6.4
439.36389	2.4
440.27402	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	439.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01859	2.6
55.05258	1.2
55.05500	13.9
57.03431	6.1
57.07073	1.0
59.04996	5.3
65.03917	2.9
67.05495	95.8
67.39692	0.9
69.03406	3.2
69.07056	6.1
69.84235	2.4
69.84664	3.1
71.04983	4.1
79.05045	1.3
79.05476	14.9
81.03406	29.0
81.07045	25.2
83.04956	5.6
83.08606	16.9
85.02893	17.1
85.06521	3.3
91.04882	1.2
91.05463	18.6
93.07035	11.4
95.04954	12.9
95.08591	12.4
97.02864	1.7
97.06511	2.0
97.10162	2.4
99.08041	1.0
105.07011	14.6
107.04929	3.3
107.08571	5.9
109.06485	1.8
109.10140	61.6
111.04426	1.5
111.08070	7.9
113.05991	1.6
117.06969	1.2
119.08568	15.0
121.10103	6.5
123.08007	1.7
123.11677	1.4
125.09600	1.5
127.03886	1.0
129.06985	3.9
131.08543	5.6
133.06458	1.6
133.10127	7.0
135.08124	1.1
135.11656	1.3
137.09604	4.8
142.07750	1.5
143.08549	1.1
145.10097	2.5
147.08102	0.9
147.11641	6.4
149.09586	4.7
155.10643	3.6
157.10112	7.2
157.45200	0.8
159.11726	0.8
165.12761	1.4
167.56830	0.8
168.57484	0.8
173.11713	20.1
175.11160	6.7
185.13184	0.9
187.14880	1.3
193.12230	28.8
210.82124	0.9
211.13255	37.0
215.17810	1.0
219.61247	0.8
229.14342	2.7
267.15744	4.3
329.21048	1.1
372.02802	0.9
373.72040	0.9
421.25610	2.5
439.26843	100.0
440.27051	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	439.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21823	0.6
53.03943	1.4
55.01866	1.4
55.05253	1.1
55.05502	13.2
57.03426	6.4
57.07066	2.2
59.04992	4.9
63.82109	0.6
65.03935	2.0
67.05495	93.9
68.05832	1.3
69.03422	2.9
69.07056	8.8
69.88377	3.3
71.04988	4.7
74.69878	0.6
79.05484	13.6
81.02677	0.8
81.03405	29.9
81.07047	32.5
83.04974	6.2
83.08609	18.4
85.02898	15.0
85.03419	0.8
85.06540	4.1
87.04454	1.0
90.75074	0.7
91.05468	20.3
93.07031	13.8
95.04951	13.5
95.08591	17.0
97.02895	2.2
97.06519	2.4
97.10150	3.0
98.73013	0.6
99.08070	1.5
105.00137	0.6
105.07014	15.2
107.04337	0.6
107.04941	3.1
107.08577	11.3
109.06526	2.5
109.10139	70.2
110.10526	1.2
111.04457	1.1
111.08055	8.6
111.11690	0.8
113.06005	1.9
117.07014	1.5
119.04896	0.6
119.08562	19.8
121.06479	1.6
121.10124	9.0
123.08076	1.5
123.11709	2.9
125.09631	1.9
127.03903	1.9
127.11156	0.9
129.06990	4.8
131.08562	5.8
133.06494	1.4
133.10120	8.5
135.08046	1.8
135.11687	2.9
137.05984	1.0
137.09604	4.6
137.13272	1.2
142.07765	2.3
143.08534	1.3
145.06491	0.6
145.10106	4.2
147.08041	1.5
147.11659	10.8
149.09612	3.9
149.13264	1.4
151.11157	0.8
155.08607	1.4
155.10678	3.3
157.08896	1.1
157.10098	9.0
159.11684	4.0
161.09608	1.1
161.13268	2.2
163.11121	1.0
163.14795	1.0
165.09138	1.1
165.12764	2.7
171.11671	1.7
173.11752	19.4
173.13235	3.5
175.11172	6.8
175.14816	1.7
177.12885	0.7
177.16386	1.3
185.13214	2.1
187.14766	3.6
189.12759	0.7
189.16399	2.2
191.14290	0.8
191.17914	0.7
193.12218	29.7
194.12602	0.8
197.13255	1.9
199.14764	4.5
201.16362	2.5
203.14357	0.9
203.17963	1.5
211.13254	38.5
212.13628	1.3
213.16434	1.5
215.17952	1.4
229.14291	3.2
231.17587	0.6
249.14998	1.0
267.15796	3.7
393.26883	0.7
393.31595	1.8
403.28574	1.2
421.25604	2.4
421.30005	1.2
421.34665	2.0
439.26819	100.0
439.36411	4.8
440.27170	5.9
446.89508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99923	0.6
53.03941	1.9
55.01854	1.5
55.05503	19.4
57.03429	6.6
57.06816	0.7
57.07056	4.5
59.04983	5.0
61.35901	0.7
63.50945	0.7
65.03928	3.1
67.05492	100.0
68.05817	1.3
69.03424	3.2
69.07054	20.6
71.04990	7.1
71.08624	0.9
73.06566	0.7
75.33451	0.6
76.47079	0.7
79.05479	19.8
81.03405	22.9
81.07041	49.2
83.04975	7.3
83.08606	21.9
85.02892	13.7
85.06533	5.4
91.05464	28.0
92.05804	1.0
93.07024	29.3
95.04958	13.1
95.08589	42.8
97.02865	1.3
97.06526	3.5
97.10142	4.3
99.08112	1.6
102.26249	0.7
105.07009	30.0
107.04948	3.6
107.08572	29.4
109.06488	3.9
109.10133	94.6
110.10457	0.9
111.04443	1.6
111.08076	8.2
113.06022	2.2
115.05457	1.0
117.06988	4.2
119.08558	42.0
121.06490	1.8
121.10120	27.0
123.08072	3.0
123.11692	11.3
125.09623	3.1
127.11211	1.4
129.06963	6.0
131.08543	14.2
133.06496	2.0
133.10106	24.4
135.08073	3.2
135.11670	13.3
137.09612	6.5
137.13220	5.6
139.11079	0.9
142.07791	3.0
143.08539	4.9
144.09230	1.0
145.06586	1.2
145.10100	14.5
145.11124	1.2
147.08051	3.3
147.10493	1.2
147.11665	23.9
149.09604	4.4
149.13216	9.8
151.11121	2.0
153.12711	0.7
155.08559	1.7
155.10681	2.6
156.09404	1.0
157.10081	13.0
158.10902	1.2
159.08125	1.5
159.11667	15.7
161.09628	2.4
161.13229	19.1
163.11214	2.9
163.14760	6.8
165.12782	3.4
167.10715	0.9
169.10162	3.2
170.10866	1.0
171.11642	7.8
172.12427	1.2
173.11748	16.0
173.13293	13.1
173.90820	0.8
175.11142	8.2
175.14801	14.7
177.12683	3.8
177.16425	3.3
179.14294	1.6
181.10120	1.3
181.12238	0.9
183.11700	3.4
185.13239	5.2
187.11189	1.5
187.14777	8.4
188.15196	0.8
189.11264	1.5
189.12807	3.5
189.16336	11.3
191.14326	3.1
191.17938	3.6
193.12201	24.5
193.15939	1.6
195.11723	1.4
197.13194	3.9
199.14822	6.3
201.12747	1.7
201.16341	7.3
203.14284	4.4
203.17860	5.7
205.15825	4.3
205.19479	1.4
207.17519	1.3
209.13278	2.0
211.13216	29.9
213.16365	4.3
215.14279	1.9
215.17873	5.4
217.15906	5.3
217.19475	9.1
219.17503	1.2
221.13283	0.8
221.15321	2.5
223.14838	1.2
225.16389	2.6
227.17999	3.3
229.14212	5.2
229.19487	3.6
231.17426	2.6
231.21048	5.6
233.15350	1.0
233.18954	1.0
233.22505	0.8
235.14867	1.0
235.16988	2.9
239.17931	1.6
241.19611	1.9
243.17532	2.1
243.21097	2.4
245.19133	1.4
245.22728	1.0
245.68988	0.8
251.17944	1.1
253.19545	2.5
255.17351	0.9
255.21088	1.3
257.19095	1.9
257.22659	1.5
259.20770	1.3
267.15857	6.3
267.21054	1.6
271.20694	0.8
279.21106	1.8
281.22650	1.3
283.20596	1.0
283.24304	1.5
295.24283	1.7
301.21750	1.1
307.24133	0.9
311.23575	1.6
315.23193	2.2
321.25812	1.2
325.25470	0.8
329.24777	1.3
339.26913	2.0
347.27222	1.0
353.28595	1.0
355.26584	1.4
357.27737	1.4
365.28519	2.2
383.29410	3.1
393.30991	1.2
393.35507	1.8
397.30875	1.2
403.33862	6.2
411.36725	1.0
421.26334	4.8
421.34961	19.1
439.26981	70.5
439.35834	65.1
440.27213	4.3
440.36322	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.9
53.03930	1.4
55.01857	1.4
55.05260	1.3
55.05503	14.9
56.02185	0.8
56.64775	0.8
57.03434	6.6
57.07053	1.4
59.04980	3.9
65.03921	2.8
67.05493	94.0
69.03394	3.3
69.07058	9.3
69.98508	1.6
69.98927	3.0
71.04999	5.7
77.03908	1.1
79.05054	1.1
79.05479	15.6
81.02917	0.9
81.03404	31.3
81.07043	35.6
83.04959	6.2
83.08131	1.1
83.08605	16.3
85.02419	1.2
85.02894	14.7
85.06507	3.6
87.04443	1.2
91.05463	23.7
93.07034	16.8
95.04947	13.3
95.08595	21.6
97.02864	1.3
97.06501	3.5
97.10141	3.1
99.08067	1.9
105.07009	17.3
107.04907	3.5
107.08564	13.4
109.06474	3.2
109.10137	70.1
110.10444	1.8
111.04453	1.5
111.08056	8.0
113.05982	2.1
117.07027	2.1
119.07780	1.6
119.08564	20.6
121.06456	2.1
121.09421	1.1
121.10123	11.4
123.08044	2.3
123.11671	3.2
125.09605	2.4
127.11169	1.5
127.21272	0.8
129.06943	6.0
131.08533	7.3
133.06454	2.1
133.10124	11.9
135.07979	2.7
135.11693	4.7
137.09605	5.3
137.13249	1.6
142.07745	2.0
143.08540	4.2
145.10103	8.3
147.08011	2.5
147.11668	13.6
149.02322	14.2
149.03447	1.4
149.09560	3.8
149.13191	3.9
150.02631	8.0
155.10623	2.4
157.10104	10.1
159.11667	5.9
161.09666	1.1
161.13197	2.9
163.11050	1.5
163.14810	2.3
165.09052	1.9
165.12694	1.4
169.10132	1.9
171.11621	3.4
173.11699	17.2
173.13226	6.3
175.11168	8.1
175.14806	3.3
177.12767	1.2
177.16338	1.8
183.11642	1.9
185.13242	4.5
187.14793	6.6
189.16330	4.8
191.14279	1.4
191.17966	1.5
193.04942	19.7
193.10432	1.6
193.12219	29.7
194.05281	15.2
195.11745	1.2
197.13231	1.9
199.14832	5.2
201.16364	3.6
203.14322	1.9
203.17905	2.8
211.13237	40.3
211.15207	2.1
213.16298	3.1
215.17816	1.6
217.15831	2.1
229.14235	4.5
229.19493	0.9
231.13521	0.9
235.16901	1.1
251.17908	1.0
255.20998	1.0
267.15866	5.6
393.31415	1.5
403.29971	2.5
421.25623	3.2
421.30811	5.0
439.26801	100.0
439.31985	11.1
440.26990	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	439.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72284	0.7
53.03932	0.8
57.03429	1.3
65.53112	0.6
67.05477	2.7
69.03421	8.0
69.07050	2.3
71.04587	1.7
71.04980	34.8
71.62630	1.0
71.63020	0.9
73.02914	1.0
79.05502	1.7
81.03396	2.3
81.07020	3.6
81.96497	0.7
83.04975	1.3
85.02881	4.7
85.06539	6.3
86.09678	0.8
87.08091	1.2
91.05457	3.1
93.07026	2.8
94.08667	0.7
95.04958	5.4
95.08585	3.3
97.02879	2.5
97.06497	1.0
99.04437	1.4
99.08079	1.4
105.07013	2.3
107.05003	0.7
107.08585	2.8
109.02853	2.3
109.06524	1.5
109.10149	2.6
111.04438	1.7
113.06004	3.7
119.08569	1.8
121.06447	0.9
121.10129	1.2
123.08058	1.0
123.11639	1.2
127.03887	5.0
127.07530	16.2
129.06947	0.7
131.04930	1.2
131.07021	12.0
131.08536	1.5
133.02829	2.2
133.10152	0.9
135.04332	0.8
135.11743	0.8
137.05981	4.7
139.03912	0.8
141.05487	0.8
145.08580	100.0
147.04372	2.5
149.05981	1.9
149.13217	0.8
150.06804	0.9
151.03868	1.1
151.07535	1.5
153.01865	0.8
155.07066	1.3
157.10057	1.0
161.05971	2.2
162.06783	2.2
163.07472	1.1
165.05533	0.9
167.03357	1.3
167.06989	1.3
173.08054	2.9
173.13219	0.9
177.05499	1.8
178.32664	0.7
184.07326	2.6
185.07809	0.9
191.07298	1.3
191.09097	10.1
203.07155	1.6
211.72511	0.8
212.72014	0.8
217.05025	0.9
229.08580	1.2
249.07623	2.5
257.10321	0.9
259.13519	0.9
271.09555	0.9
285.11206	0.8
315.12598	0.9
317.12247	2.4
335.13129	3.9
339.12518	0.8
381.13223	1.5
397.38135	0.7
421.16357	2.0
439.17218	4.3
439.23257	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17831	1.5
58.99899	1.7
61.02951	1.7
62.06090	1.5
66.66669	1.6
69.03427	2.0
70.06593	2.7
70.22117	7.5
81.03402	2.6
85.02908	9.8
86.09712	3.0
87.04442	2.5
95.04929	1.6
97.02876	4.8
98.21070	4.4
98.97537	1.9
100.98950	1.7
101.00899	3.3
104.07092	3.2
113.97887	1.5
115.02401	1.7
119.01874	8.4
120.44066	1.5
127.02403	2.4
127.03905	4.9
131.01901	5.8
133.03462	7.3
137.05954	2.2
143.01897	4.4
145.03477	8.7
145.04840	2.2
145.53488	1.7
147.05013	2.7
153.01807	10.2
155.01895	5.0
157.03444	6.1
159.05006	3.7
161.02948	6.1
171.04985	4.3
173.02954	6.9
173.06610	2.3
175.04510	3.2
185.02856	3.0
185.06622	4.5
187.02676	2.5
187.04472	5.2
189.02467	2.1
189.06166	2.5
196.84639	1.6
197.02948	2.0
199.04683	2.7
201.06091	4.2
203.04012	3.7
203.07663	3.8
215.07640	4.3
219.07117	3.1
221.05115	6.4
225.06065	1.7
231.07198	2.8
233.08675	1.8
245.05063	6.8
247.06721	2.7
265.07764	2.8
273.08170	2.5
275.06128	5.8
277.03403	2.0
277.08447	2.8
291.09164	3.0
305.10748	13.4
309.10303	2.6
321.10214	17.9
323.11539	2.2
333.02911	1.6
349.09641	1.8
361.02283	3.5
407.05930	2.1
439.08087	86.9
439.12509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01858	0.9
55.05493	0.7
57.03415	1.7
58.93520	0.5
62.06079	41.3
67.05482	1.4
69.03426	3.0
69.07054	1.3
70.06567	0.7
71.04980	16.9
71.28873	1.2
73.02922	0.6
74.65584	0.4
79.05475	0.8
81.03400	2.3
81.07035	1.7
83.04955	0.7
85.02901	3.8
85.03331	0.8
85.06532	3.2
86.06055	19.0
86.09685	1.2
87.04446	3.1
91.05450	0.7
93.07028	1.1
95.04951	2.2
95.08601	0.9
97.02876	2.4
97.06516	0.6
99.04420	0.9
99.08092	0.8
104.07086	100.0
105.07468	0.5
107.04951	1.0
107.08553	0.7
109.02858	1.9
109.10112	0.6
113.05984	2.4
119.08644	0.6
123.08041	0.9
124.07632	0.7
126.09127	0.7
127.03899	2.9
127.07528	7.1
127.11191	1.0
131.07013	3.8
132.33075	0.6
133.04948	0.7
133.10190	0.6
135.08055	1.0
135.70865	0.5
137.05975	1.7
139.03795	0.7
144.10191	1.2
144.13814	2.5
145.04924	0.9
145.08572	35.5
146.08864	0.7
147.04437	1.1
153.01846	1.5
155.07050	0.7
167.07053	1.6
173.08096	0.9
191.09109	2.0
240.07520	1.8
240.57651	2.6
241.14348	1.0
257.10184	0.6
258.20889	0.6
266.12503	0.7
276.12372	0.9
291.08365	0.9
299.11237	0.8
306.18802	1.0
317.12302	1.0
323.56479	0.5
375.13196	0.9
391.94830	0.7
438.16620	0.8
438.23135	3.7
439.16571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03471	0.4
53.03920	0.7
54.51036	0.3
55.01841	0.4
56.43432	0.3
61.02906	0.3
69.03136	0.3
69.03422	3.7
70.06583	5.9
71.04985	0.5
71.36398	0.8
79.01849	1.4
81.03401	7.1
85.02890	4.3
97.02885	4.7
99.04416	0.9
107.01280	1.1
107.07077	0.4
107.55515	0.3
109.02870	5.7
112.07588	6.0
113.02341	0.8
124.03848	0.5
125.02326	2.5
127.03897	8.1
137.05969	0.5
140.07056	3.1
141.01311	0.3
143.03384	4.1
145.04950	1.2
153.01807	100.0
154.02090	0.9
157.92368	0.4
158.08116	1.0
171.02861	13.8
222.42578	0.4
279.04980	0.6
284.11337	0.7
297.05981	8.5
315.07047	20.8
411.79892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	20.8
57.07063	8.7
62.47032	2.8
66.23192	2.4
67.05497	19.1
69.07056	34.1
69.62399	17.2
71.08625	6.0
79.05497	9.8
81.07051	48.0
83.05009	2.5
83.08606	22.8
89.06007	3.7
91.04970	2.3
91.05495	10.5
93.07031	21.5
95.08602	56.4
95.09196	1.8
96.08875	2.2
97.10176	12.3
98.21309	7.6
105.07027	26.3
107.08587	36.5
109.10155	40.4
109.10842	4.6
111.04244	2.4
111.08046	3.8
119.08569	29.3
121.10130	26.8
123.11681	20.5
129.06973	4.2
131.08585	14.2
133.10100	29.3
135.11694	14.9
137.09671	2.5
137.13266	8.5
140.97998	2.5
143.08575	11.0
144.09482	3.2
145.10094	17.9
147.11642	16.7
149.13286	11.2
151.11266	3.3
151.14806	3.6
155.08556	4.4
156.09319	3.1
157.10060	18.7
159.11676	19.4
161.13229	17.6
163.14874	8.8
169.10158	12.0
170.10905	3.1
171.11655	19.7
173.13246	18.1
175.14821	12.0
177.16353	5.2
183.11635	16.0
184.12460	3.4
185.13246	15.5
187.14810	15.3
189.16417	8.8
191.14288	3.5
191.17955	3.6
195.11839	6.1
196.12537	4.1
197.13298	15.9
199.14812	19.2
200.15524	3.2
201.16451	11.7
203.17950	5.4
205.16005	3.7
209.13329	8.9
211.14824	15.7
213.16432	8.5
215.18031	6.8
217.15900	7.5
223.14870	7.1
224.15584	3.7
225.16322	15.3
227.17999	3.8
229.19707	3.2
231.21217	3.1
237.16418	7.1
239.15160	2.8
239.17798	12.3
240.18805	3.9
241.19574	4.3
245.22726	2.9
251.18079	7.1
252.18658	5.8
253.19637	12.4
257.22733	2.9
259.24295	2.6
264.18570	3.0
265.19543	5.7
267.21063	3.7
271.20624	3.1
279.21072	27.9
280.21570	3.3
281.22571	5.4
293.22733	8.2
294.23428	24.0
295.24133	4.9
311.23813	7.7
321.25751	3.4
325.28955	5.4
335.27359	3.3
351.30618	7.0
377.32227	3.7
419.36661	100.0
420.37164	9.6
437.37912	85.2
438.38391	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	437.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	13.1
57.07074	8.3
67.05493	17.7
69.07055	21.7
70.05230	13.1
71.08633	6.5
79.05499	9.4
81.07039	34.1
81.07438	2.6
83.08598	12.1
89.06017	3.8
91.05495	8.0
91.43302	2.2
93.07021	27.7
95.08585	46.0
95.09142	3.2
97.10186	6.3
98.20765	2.4
100.02750	2.2
105.07039	15.9
107.08582	37.4
107.09270	2.8
109.10135	28.3
117.07046	5.4
119.08552	33.3
121.10120	33.9
121.10873	2.2
123.11680	26.3
125.06010	2.9
129.07037	2.9
131.08583	9.9
133.08734	2.2
133.09158	3.6
133.10092	26.7
135.11652	21.8
137.13293	6.8
141.05470	3.4
143.08571	4.9
145.10095	16.2
147.11685	19.1
149.09656	5.4
149.13222	19.3
151.14792	2.7
157.10149	8.2
159.11633	14.7
161.13225	20.6
163.14780	14.8
169.10118	2.9
171.11768	8.6
173.13277	12.4
175.11269	2.7
175.14790	23.2
177.12750	3.6
177.16368	18.6
182.82437	2.8
183.11690	3.4
185.13364	7.0
187.14761	14.4
189.12779	2.8
189.16383	23.7
191.14366	4.1
191.18025	6.4
193.15842	3.4
199.14923	5.4
201.16362	12.7
203.14383	10.3
203.18015	11.2
205.15976	6.8
205.19560	8.9
211.14928	3.2
213.16380	4.7
215.18117	6.0
217.15985	6.3
217.19598	6.7
219.17447	4.6
225.16530	4.4
227.18005	4.6
229.19469	3.7
231.21144	8.0
233.22736	4.2
239.15028	4.6
239.17992	4.8
241.19412	4.1
245.22775	4.3
253.19431	2.8
255.21272	2.9
257.19147	2.3
269.22861	3.0
281.22504	3.7
295.24310	4.9
311.27435	3.0
313.25439	2.4
325.28836	3.0
349.29050	4.6
367.30066	3.9
391.35858	8.0
409.38617	6.6
419.36642	27.5
437.38013	100.0
438.38416	10.0
462.04428	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	437.3405
Annotation	Alertenone
Peak:m/z	Relative Intensity
53.03921	1.3
55.05495	6.5
57.01669	1.1
57.07059	3.7
58.56193	0.9
67.05495	13.5
69.06780	0.9
69.07056	11.0
74.02425	1.0
79.05460	4.1
80.61778	1.1
81.07043	32.2
83.08598	5.7
88.42372	1.1
91.05478	5.9
93.07024	12.1
95.08589	54.9
97.10144	3.5
105.07013	15.5
107.08575	20.2
109.09447	1.7
109.10139	23.6
109.10893	1.3
117.07010	1.6
119.08562	23.8
121.10124	14.9
123.11684	13.3
125.09639	0.9
131.08528	7.4
133.10106	16.6
135.11690	10.3
137.13242	12.2
143.08543	4.9
145.10092	22.0
147.11668	14.9
149.13200	8.9
150.28253	1.2
151.14774	5.9
156.09343	1.3
157.10118	5.1
159.11676	10.7
161.13210	8.3
163.07629	1.1
163.14777	7.4
169.10147	2.0
171.11702	9.8
173.13197	11.7
175.14787	15.9
177.16342	6.1
179.17918	1.2
183.11690	3.4
185.13313	5.0
187.14798	6.8
189.16348	14.8
191.10637	1.2
191.17935	10.2
197.13165	3.4
199.14748	5.6
201.13109	0.9
201.16341	17.6
203.17929	14.1
205.12213	1.6
205.19414	1.5
209.13123	1.1
211.14801	3.0
213.16383	7.7
215.17950	7.7
217.12166	1.3
217.19518	4.4
219.13861	1.4
221.15309	2.1
225.16335	3.9
227.17928	3.2
229.15889	1.4
229.19467	3.7
231.17494	1.4
239.17842	6.8
241.19493	14.3
243.21010	5.2
245.15417	2.2
247.16862	6.8
249.18556	1.2
253.19467	4.1
255.21021	4.4
259.16809	3.1
259.20535	2.6
265.19424	1.6
267.21082	2.4
269.22531	2.1
273.18427	2.2
281.22617	1.7
285.18469	8.1
287.20001	3.3
289.21542	1.5
295.20712	1.4
295.24142	4.1
299.19946	4.6
307.24118	1.4
313.21561	3.3
315.23157	1.3
327.23309	1.3
335.27313	3.4
349.28738	2.0
353.24634	2.3
381.27725	1.6
391.33395	15.5
392.33853	1.8
395.29373	1.6
419.33130	3.7
437.34067	100.0
438.34378	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.2
57.07062	7.9
67.05499	16.4
69.06718	1.9
69.07056	22.6
69.47226	1.1
69.47576	10.4
79.05483	10.8
81.07046	51.7
83.08610	13.2
91.05459	14.6
93.07028	33.6
95.04919	1.6
95.08593	86.0
97.10133	4.4
105.07010	36.8
107.08576	54.1
109.06534	1.7
109.10137	30.2
110.10516	1.3
111.11677	2.0
117.06986	6.2
119.08562	48.3
121.10122	43.0
123.11691	18.8
129.06973	3.9
130.07768	1.3
131.08563	15.5
133.10109	34.8
135.11670	43.1
137.05991	2.3
137.13237	27.4
142.48714	1.2
143.08548	7.0
144.09317	1.5
145.10101	26.7
146.10844	1.8
147.11664	32.9
147.12781	2.3
149.13231	38.8
151.07556	1.3
151.14787	4.9
153.08990	1.4
157.10104	9.6
159.10422	1.9
159.11679	23.7
160.12416	1.5
161.13235	22.7
163.07513	1.7
163.14772	7.2
165.09114	1.4
165.16345	1.2
169.10150	3.1
171.11684	14.1
173.13251	15.6
175.14786	21.6
177.16371	26.8
179.10640	1.6
183.11658	2.8
185.13225	10.3
187.14798	14.8
189.16348	37.9
191.17905	14.1
193.15904	1.4
195.11632	1.3
197.13220	3.7
199.14816	12.0
201.16360	41.3
202.16695	1.8
203.17931	56.5
204.18192	1.2
205.19455	3.6
207.17432	1.4
211.14804	5.0
212.15453	1.7
213.16370	13.5
215.17914	21.6
217.12166	2.6
217.19452	8.3
221.15269	1.7
223.14896	1.3
225.16351	3.7
227.17883	3.5
229.19447	5.5
231.21112	1.7
233.15283	2.5
235.16873	2.4
239.17847	5.8
241.19452	18.2
243.13603	1.6
243.21069	4.3
245.15297	1.7
247.16974	2.6
253.19424	5.4
255.21060	6.1
259.16965	10.3
260.90424	1.4
261.18549	1.7
267.21060	4.0
269.22678	2.8
273.18359	1.3
281.22610	1.6
285.18423	4.1
287.20099	7.4
295.23962	1.3
299.19958	3.7
301.21817	1.7
313.21512	3.0
315.23511	1.5
327.22833	1.5
335.27231	1.3
349.28717	1.4
391.33432	18.0
395.29196	1.3
419.34634	3.5
437.34042	100.0
438.34402	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	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.6
57.07058	5.2
57.94261	1.2
67.05494	15.6
68.42173	1.1
69.07058	19.6
71.04963	1.4
71.11775	3.5
72.77803	1.2
78.26127	1.2
79.05476	14.2
81.07046	36.3
83.08598	8.7
91.05463	12.9
93.07030	22.1
94.49507	1.3
95.04932	1.9
95.08596	49.6
96.60546	1.3
97.06521	1.3
97.10175	3.3
105.06287	1.7
105.07013	39.7
107.08579	43.0
109.06522	2.4
109.10144	25.9
111.08117	1.4
117.06995	4.6
119.08563	59.7
121.10133	34.9
121.11021	2.0
123.11705	12.5
129.07030	3.2
131.08543	15.8
133.10110	43.5
135.11679	22.0
137.13242	9.9
139.89021	1.4
143.08554	8.1
144.09357	1.9
145.10103	33.9
145.11264	1.6
146.10806	1.2
146.33037	1.3
147.11662	36.6
149.13266	11.5
153.09094	3.0
157.10088	8.1
158.10905	4.4
159.11681	32.9
160.12364	2.4
161.13257	18.1
163.11171	2.4
163.14796	6.9
165.16402	1.5
167.10709	1.8
169.10179	1.7
171.11678	8.4
173.13248	16.5
174.14030	2.2
175.14801	28.4
177.16354	22.4
183.11758	2.5
185.13268	5.3
187.14803	17.3
189.16360	82.2
190.16782	3.6
191.17946	9.9
193.12265	1.5
197.13235	3.8
199.14745	8.9
201.16360	48.8
202.16713	1.6
203.17934	50.9
204.18304	1.9
205.19531	2.5
210.58661	1.3
211.14786	2.9
213.16336	14.4
215.17915	24.2
217.19467	6.8
225.16527	1.8
227.17850	6.2
229.19519	5.6
231.17564	2.1
235.16859	3.6
237.16307	1.5
239.17924	3.5
241.19496	7.9
243.21121	3.3
247.16995	4.9
249.18559	4.8
253.19566	3.7
255.21085	4.4
259.17007	5.8
261.18552	4.4
267.21033	1.8
275.20129	1.4
277.25336	1.3
285.18689	2.7
287.20062	1.8
299.19968	1.8
321.25903	1.6
321.76913	1.3
335.27295	1.7
349.28912	2.0
391.33536	12.2
394.28662	2.3
419.33102	4.4
429.61786	1.6
437.34152	100.0
438.25284	1.7
438.34317	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	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05290	1.1
55.05502	10.9
57.07062	6.9
65.48325	1.0
67.05496	19.5
69.06707	1.8
69.07055	21.1
69.51244	5.5
69.51676	5.0
71.08609	1.7
77.92967	1.0
79.05112	1.3
79.05486	12.2
81.07045	64.0
83.08607	9.1
86.09284	1.2
88.88813	1.0
91.05466	10.7
93.07027	32.2
95.04967	2.0
95.08591	100.0
97.10133	4.3
105.07012	24.7
106.40991	1.0
107.08577	57.1
108.08883	1.0
109.10138	32.3
111.11718	1.7
117.07011	4.7
119.08565	28.1
121.10127	38.2
123.11681	17.4
129.06993	3.1
131.08539	14.2
133.10106	22.8
135.11676	40.6
137.13240	46.5
142.07655	1.1
143.08580	8.4
145.10103	18.7
147.11670	19.5
149.13242	46.0
151.07492	1.6
151.14845	5.8
153.09042	1.4
155.08476	1.6
157.10081	11.3
159.11685	13.3
161.13219	17.3
163.14810	6.1
169.10130	4.9
170.00542	1.1
171.11650	14.4
173.13278	9.4
175.14815	10.6
177.16359	39.5
178.16768	1.7
179.19719	1.0
183.11642	4.5
185.13228	11.3
187.14796	13.3
189.16328	18.0
191.17908	8.0
193.19380	1.2
197.13234	4.5
199.14809	11.6
201.16354	17.6
203.17941	32.0
205.19411	2.6
211.14827	3.8
213.16324	16.7
215.17946	11.8
217.12195	1.7
217.15791	1.1
217.19530	3.9
219.13875	1.7
225.16350	3.4
227.17899	2.4
229.19510	3.2
231.17317	1.4
233.15311	2.0
237.16396	1.3
239.17908	6.8
241.19464	21.1
243.21019	1.7
245.15454	2.8
247.16910	2.0
253.19414	5.5
255.20993	5.3
259.16913	17.0
267.20959	5.6
269.22531	1.8
273.18442	1.7
281.22693	1.5
285.18402	4.8
287.20053	8.1
299.20038	4.5
313.21600	4.4
349.28668	1.3
353.24628	1.5
391.33524	15.8
392.33984	2.2
409.35022	1.2
419.33032	2.3
437.34085	60.4
438.34387	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	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30783	1.7
54.32465	1.5
55.05498	9.9
57.07056	6.4
58.80938	1.8
67.05500	17.7
68.22621	1.6
69.07060	18.9
69.98179	1.5
70.58269	3.0
70.58656	5.7
79.05483	6.1
81.07044	34.5
83.08612	8.4
91.05481	8.4
93.07034	15.9
95.08594	58.3
97.10133	4.2
105.07016	21.7
107.08582	31.9
109.10143	27.0
109.10838	3.0
117.06983	3.1
119.08557	29.6
121.10127	20.3
122.10441	2.1
123.11693	15.3
129.06995	3.1
131.08566	10.8
133.10109	29.7
135.11670	14.6
137.13252	9.7
142.07715	1.9
143.08546	6.1
145.10121	21.5
147.11676	23.0
149.05948	1.9
149.13232	9.8
151.14804	4.2
155.06982	2.3
157.10101	5.0
159.11687	16.9
161.13248	14.7
163.14787	10.1
169.10162	2.7
171.11674	8.2
173.13242	13.7
175.14818	13.7
175.59238	1.5
177.09149	1.7
177.16376	12.2
178.09447	1.6
183.11682	2.8
185.13228	5.1
187.14827	9.3
189.16367	15.6
191.17896	14.8
197.13217	3.7
199.14832	7.1
201.16364	33.1
203.17911	40.8
203.19743	3.1
204.18236	2.2
205.19475	1.7
211.14822	3.8
213.16365	6.2
215.17912	9.1
217.19487	3.9
221.15269	3.0
225.16370	2.0
227.17825	3.6
229.19551	5.2
239.17935	6.2
241.19434	11.8
243.21130	7.1
247.16924	9.0
253.19478	4.0
255.21089	7.2
259.16928	4.6
259.20596	1.8
265.19608	2.0
267.21274	2.6
285.18411	4.3
287.20032	4.2
295.24091	4.1
299.20032	6.0
301.21497	3.1
307.24231	2.2
313.21643	2.1
323.27222	2.0
325.21109	1.8
335.27271	2.7
391.33813	12.0
419.33530	1.9
437.34088	100.0
438.34396	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	437.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.05502	12.8
57.03462	1.1
65.03936	2.3
67.05492	20.4
69.03408	2.1
69.07062	13.0
69.52975	10.2
71.04984	1.9
77.03894	1.5
79.05477	18.2
81.03415	2.9
81.07042	32.3
83.04951	1.3
83.08593	5.8
85.06554	1.5
91.05465	23.1
93.07032	33.4
95.04969	3.6
95.08594	57.2
97.02872	1.6
97.06510	4.8
97.10168	2.1
99.08060	8.7
101.58811	1.3
103.05423	2.2
105.07014	53.2
106.68414	1.2
107.08576	63.6
109.06487	4.0
109.10141	44.6
111.08080	4.9
115.05423	2.0
117.07010	9.9
119.08562	100.0
120.08874	2.1
121.06486	8.0
121.10123	38.1
123.08054	7.3
123.11698	7.5
125.05972	1.9
125.09622	2.1
127.03886	1.6
128.06212	4.4
129.06970	7.7
130.07756	2.3
131.08548	36.4
133.09094	2.3
133.10107	40.7
135.08032	17.8
135.11661	15.8
137.09604	9.1
137.13316	2.8
139.07565	2.0
141.07021	1.6
142.07729	5.9
143.08534	25.8
144.09299	3.7
145.10104	62.4
147.08057	8.9
147.11661	26.6
149.09589	5.9
149.13237	9.8
151.11180	2.7
151.14835	4.2
153.01866	1.9
153.09079	1.3
155.08554	6.6
156.09348	5.3
157.10104	32.3
158.10866	4.7
159.08063	3.3
159.11673	43.5
161.09570	7.4
161.13235	32.0
163.07515	2.0
163.11153	3.5
163.14804	10.4
167.07028	3.7
167.08508	2.3
168.09375	2.0
169.10089	11.8
170.10814	7.7
171.11656	36.0
172.12459	2.5
173.09644	1.9
173.11736	2.0
173.13234	39.3
175.11191	4.2
175.14818	25.0
175.16246	2.0
176.15230	1.3
177.09081	4.6
177.12640	6.5
177.16327	6.5
179.14281	2.7
181.10117	2.4
182.10822	2.0
183.11671	15.4
184.12390	2.2
185.13232	34.8
187.11247	6.5
187.14795	57.7
188.15150	1.7
189.12732	17.7
189.16351	9.8
191.10619	1.3
191.14287	19.4
193.08633	1.3
193.10329	1.4
195.11673	4.9
195.13776	3.3
196.12521	1.9
197.13239	15.5
198.14005	2.2
199.11278	1.6
199.14801	33.5
199.16556	2.3
200.15294	1.4
201.12726	3.5
201.16341	44.4
202.16693	2.1
203.14354	4.7
203.17937	5.5
205.12325	2.5
205.15939	3.9
207.11707	1.8
207.13777	1.3
209.13188	8.8
210.13887	1.5
211.14783	17.1
212.15189	1.3
213.12936	2.7
213.16353	49.3
215.14310	8.5
215.17964	5.0
217.12245	2.1
217.15919	4.3
217.19539	1.4
219.13800	4.7
219.17505	2.4
221.13383	2.4
221.15343	1.9
223.14816	4.7
225.16368	4.6
225.47484	1.2
227.14313	2.9
227.17929	8.2
229.12292	1.2
229.15852	3.8
229.19510	2.6
231.13786	2.1
231.17381	3.1
235.13081	7.2
237.16429	3.9
239.14301	1.6
239.17824	6.9
241.15846	2.3
241.19437	5.8
243.13824	1.6
243.17426	2.2
245.15334	5.7
247.17055	1.8
249.16469	2.6
251.17928	5.7
253.19392	6.6
255.21057	4.2
257.15347	1.9
257.19022	2.2
258.16125	5.0
259.16916	9.8
263.17889	4.4
265.19470	3.9
267.17508	1.4
267.21036	7.2
269.19028	2.3
269.22717	1.5
275.20111	1.5
277.19379	1.8
279.20935	2.7
283.20676	2.0
285.18567	1.2
287.20093	1.5
291.21066	1.8
295.20547	1.4
301.21735	1.2
303.20996	1.9
314.12625	2.5
319.24347	4.0
321.21976	2.3
349.21530	1.4
349.25400	1.8
351.02521	1.5
352.72833	1.4
363.30380	2.7
365.24765	4.0
373.28888	9.8
375.30432	2.0
390.92404	1.3
391.29904	61.4
392.30170	3.7
393.31509	12.1
401.28406	3.4
409.31097	3.7
419.24097	2.6
419.29382	24.6
437.30472	83.4
438.30951	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	437.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05286	0.9
55.05510	8.5
57.07058	2.1
62.05430	0.9
65.03930	1.0
67.05495	12.0
69.03407	2.5
69.07058	13.4
69.84885	0.9
70.66302	2.9
70.66654	1.0
79.05486	8.9
81.07048	23.2
83.08607	4.4
85.06513	1.6
91.05459	16.0
93.07032	20.6
95.04938	2.7
95.08594	35.3
97.06538	3.2
97.10169	2.2
99.04444	1.0
99.08073	2.8
100.32224	0.9
105.07021	35.8
107.08584	32.2
109.06493	2.7
109.10139	20.7
111.08072	2.9
115.05439	1.0
116.06228	1.1
117.06978	6.8
119.04989	1.0
119.08565	62.0
121.06490	8.2
121.10124	22.9
121.93904	0.9
123.08059	2.9
123.11705	5.4
128.06194	3.1
129.06987	5.8
130.07764	2.3
131.08546	28.4
133.06487	1.4
133.10121	28.0
135.08037	13.0
135.11658	8.9
137.05908	0.9
137.09599	4.1
137.13231	1.8
139.07515	1.1
142.07704	5.1
143.08533	13.6
144.09291	2.4
145.06467	1.0
145.10101	43.4
146.07288	0.9
147.08022	12.2
147.11671	19.2
149.09631	5.4
149.13226	9.6
151.07512	1.5
153.06902	1.0
153.09076	2.7
155.08534	3.3
156.09352	5.7
157.10110	15.1
158.10901	3.7
159.08032	2.7
159.11676	29.6
160.08809	1.0
161.09598	19.7
161.13231	25.0
163.11179	6.8
163.14815	15.2
165.12675	1.1
167.07014	2.0
169.10098	5.4
170.10886	3.0
171.07959	1.4
171.11664	14.7
172.12415	2.5
173.09630	3.4
173.13243	30.7
174.10463	1.0
175.11192	3.9
175.14810	22.9
175.16260	1.9
177.12749	4.4
177.16373	9.3
179.14375	1.5
181.05048	1.1
181.10094	1.5
182.10863	1.3
183.11632	9.5
184.12415	1.0
185.13231	18.8
186.13501	0.9
187.11212	2.8
187.14792	52.5
188.15179	1.9
189.12726	32.7
189.16341	20.2
190.13091	1.1
191.14279	18.8
191.17990	1.9
193.15945	1.1
195.11690	3.0
197.09531	1.2
197.13272	6.3
199.11250	1.8
199.14780	19.4
200.11868	1.2
201.12701	3.1
201.16357	37.7
202.16528	1.0
203.14262	11.3
203.17931	17.4
205.15857	2.6
207.10120	1.1
207.13664	1.3
209.13261	1.7
211.09566	1.5
211.14819	4.3
213.12755	9.3
213.16344	9.6
215.14288	20.0
215.17917	4.2
217.12299	1.8
217.15880	6.7
217.19405	1.3
219.13705	1.3
219.17430	3.3
223.14769	2.5
225.16412	2.8
227.14355	1.5
227.17889	3.8
229.15916	5.1
229.19591	2.3
231.13835	1.7
231.17397	1.4
233.13153	0.9
233.15338	2.2
235.13322	3.6
235.16953	1.2
237.16409	2.9
239.17920	3.6
241.15666	0.9
241.19580	2.1
243.17416	4.7
245.11600	1.4
245.15376	2.8
247.16925	2.1
249.14732	1.9
251.17897	2.2
253.19545	3.4
255.17416	2.6
255.21060	3.0
257.15369	1.5
259.16959	2.1
261.14761	2.2
263.16351	1.8
265.19565	2.1
267.20972	2.5
269.22662	1.5
275.16769	1.2
279.20929	1.3
291.20917	1.1
293.22513	1.1
295.20618	1.3
303.21112	1.6
319.24011	1.6
335.23721	1.5
351.22919	1.5
363.30405	1.3
365.24722	1.1
373.28815	6.1
375.30399	2.2
391.29904	41.7
392.30222	2.3
393.31607	5.5
394.31848	0.9
401.28366	2.0
409.30826	3.1
419.29364	18.5
437.30466	100.0
438.20200	1.9
438.30527	4.6
455.31363	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	437.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.05499	6.5
57.07058	1.5
61.60884	0.9
65.03934	1.0
67.05494	15.6
69.07055	9.9
70.27881	3.6
71.04964	0.9
79.05478	10.6
81.03403	1.4
81.07041	22.2
83.04971	1.8
83.08613	5.4
85.06544	1.9
91.05457	13.8
93.07031	19.3
95.04935	2.1
95.08591	31.2
97.06515	2.5
97.10191	1.7
99.08083	2.5
103.05435	1.4
105.07009	30.7
106.53702	0.9
107.08575	29.2
109.06506	2.6
109.10133	23.6
111.08069	3.6
115.05455	1.1
117.06988	7.4
119.08559	53.1
121.06490	5.8
121.10124	21.1
123.08057	3.5
123.11662	4.2
125.09621	1.2
128.06168	1.3
129.07001	4.6
130.07765	2.0
131.08546	23.2
133.06445	1.2
133.10106	25.0
133.11066	1.8
135.08040	10.6
135.11697	9.3
137.09593	5.1
137.13223	1.0
141.06917	1.2
142.07751	1.6
143.08537	13.8
144.09323	1.3
145.10098	43.1
147.04396	1.0
147.08012	9.7
147.11656	17.3
149.09567	4.7
149.13225	10.1
151.11246	1.1
153.09042	1.9
155.08560	2.5
156.09326	3.9
157.10104	15.4
158.10881	4.4
159.08041	2.1
159.11665	27.1
161.09599	13.5
161.13219	17.6
162.43988	0.9
163.07449	1.0
163.11124	5.9
163.14803	15.6
167.08488	1.6
169.10056	5.6
170.10883	3.0
171.11644	13.4
172.12473	2.0
173.09641	2.0
173.11749	2.2
173.13223	28.2
175.11192	2.7
175.14795	20.8
177.09172	1.4
177.12723	3.0
177.16357	8.6
179.14294	1.6
181.08630	0.9
181.10147	2.2
182.10828	2.0
183.11696	6.2
184.12338	1.3
185.13223	17.2
187.11319	2.2
187.14783	48.5
188.15198	1.5
189.12720	26.1
189.16319	15.1
191.14258	19.2
191.17853	1.2
193.15988	1.0
195.11697	3.5
196.12440	1.6
197.13184	6.3
199.11166	2.1
199.14775	16.9
201.12671	3.9
201.16342	27.9
203.14336	9.8
203.17920	13.8
205.12234	1.2
205.15816	2.2
207.13773	1.0
209.13268	2.7
211.14813	5.5
213.12727	8.1
213.16318	10.8
215.14279	16.3
215.17905	3.0
217.12270	2.6
217.15863	8.3
219.13751	1.4
219.17513	2.7
221.13327	1.4
223.14783	2.5
225.16359	4.0
227.17928	3.6
229.15877	4.3
229.19531	2.7
231.13678	1.3
231.17401	1.8
235.13252	2.5
235.16971	2.2
237.16420	2.7
239.17915	3.5
241.19450	4.5
243.13904	1.1
243.17384	4.6
245.15297	4.3
247.13138	1.3
247.16866	2.7
251.17944	1.0
253.16057	1.0
253.19481	3.1
255.17485	2.1
255.21056	1.7
257.15240	1.3
259.16840	1.6
259.20764	1.0
261.14764	2.1
263.16226	1.6
265.19562	1.7
267.17319	1.1
267.21060	3.0
269.15469	1.2
269.18945	1.0
269.22629	1.9
271.16928	0.9
277.19473	1.3
279.21194	1.1
293.22250	1.1
297.19095	1.0
297.22180	1.0
299.19873	1.1
301.21838	1.3
305.22552	1.0
319.24194	1.9
325.22003	1.3
331.24170	1.2
335.23801	1.9
349.25006	1.2
351.23001	1.4
363.30493	1.7
373.28723	5.2
375.30234	2.9
391.29898	41.0
392.30270	2.2
393.31506	6.0
409.31281	3.6
419.29318	22.1
437.30441	100.0
438.30728	5.2
455.31351	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	437.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01870	2.1
55.05504	16.1
57.03417	1.8
57.07058	2.6
59.04982	1.0
65.03929	3.3
67.05495	41.6
69.03409	1.8
69.07050	17.7
71.04969	3.0
71.62410	1.7
77.03915	1.3
79.05476	21.6
81.03400	2.2
81.07045	45.7
83.01315	1.1
83.04949	4.0
83.08604	9.2
85.02884	1.3
85.06522	2.7
91.04883	1.7
91.05463	27.3
93.07028	39.3
95.04943	6.2
95.08590	58.6
96.08918	1.4
97.02840	1.2
97.06514	5.9
97.10139	3.6
99.04420	1.9
99.08081	7.5
103.05465	1.7
105.07013	58.9
106.07318	1.4
107.04929	3.0
107.08575	64.0
108.08884	1.3
109.06510	5.2
109.10139	58.5
111.04418	1.5
111.08064	4.7
113.05975	1.3
115.05405	2.0
117.06985	13.1
117.31406	1.1
119.08560	100.0
121.06509	6.0
121.10123	42.7
122.10470	1.1
123.08061	9.2
123.11684	9.7
125.05997	1.7
125.09602	3.5
127.03899	1.7
128.06209	3.7
129.06996	8.7
130.07747	2.4
131.08546	42.0
133.06494	1.2
133.09091	1.9
133.10103	37.7
135.08029	19.6
135.10683	1.3
135.11671	17.4
137.09598	9.5
137.13234	2.5
139.11240	1.4
141.06958	2.5
142.07771	6.9
143.08542	26.3
144.09277	3.1
145.10097	64.7
146.10526	1.8
147.04358	3.4
147.08026	6.4
147.11661	27.6
149.09586	6.5
149.13243	14.3
151.07547	1.7
151.11162	2.9
151.14799	5.4
153.09030	1.5
153.12746	1.1
155.08560	8.0
156.09299	7.2
157.10095	35.1
158.10857	4.6
159.08028	2.2
159.11671	48.5
161.09615	9.8
161.13232	30.2
163.07506	2.5
163.11177	7.3
163.14792	12.8
165.09087	1.1
165.12674	1.5
167.08514	1.9
168.09286	1.2
169.10097	13.5
170.10883	5.2
171.11665	39.3
172.12387	3.1
173.09598	3.3
173.11739	4.2
173.13202	40.6
174.13574	1.1
175.11150	4.3
175.14798	27.8
177.09090	3.0
177.12709	5.8
177.16338	6.9
179.08420	1.5
179.14267	2.5
181.08592	1.7
181.10115	3.6
181.12202	2.3
182.10861	3.4
183.10229	1.4
183.11690	17.8
184.12425	1.5
185.09668	2.1
185.13228	39.1
186.13663	2.3
187.11150	4.3
187.14790	59.2
189.12698	16.8
189.16362	10.7
191.10596	1.5
191.14297	18.5
191.17917	2.0
193.10129	1.2
193.12183	1.4
194.10878	1.3
195.11656	4.5
195.13786	3.5
196.12341	2.0
197.13213	14.7
198.13954	2.4
199.11295	1.6
199.14784	39.7
200.15431	1.5
201.12666	3.6
201.16345	46.1
203.14267	7.7
203.17924	5.2
205.15877	4.2
207.11694	2.5
207.13634	1.2
208.12489	1.3
209.11693	1.1
209.13324	8.6
211.11275	2.2
211.14786	16.0
212.15504	2.1
213.16350	60.6
214.16891	2.4
215.14307	7.2
215.17827	6.7
217.12270	2.5
217.15802	5.5
217.19493	1.3
219.13763	3.9
219.17424	2.6
221.13176	2.6
222.14043	1.1
223.14796	4.4
225.16354	4.4
227.12743	3.5
227.17888	7.4
229.12228	1.3
229.15814	3.4
229.19386	2.8
231.13791	2.3
231.17395	4.1
233.15309	3.3
235.13229	4.7
237.16327	6.3
239.14247	1.9
239.17860	8.8
241.15804	1.4
241.19536	8.0
243.13777	1.3
243.17473	2.4
245.15369	9.3
245.19055	1.4
247.16913	4.3
249.16374	2.1
251.18004	4.9
253.19458	6.1
255.17317	2.1
255.21089	4.8
257.15173	1.8
257.18839	1.0
258.16129	5.3
259.16946	10.5
263.17819	4.6
265.19443	4.2
267.21039	7.5
269.18991	2.0
269.22443	1.1
273.18591	1.5
277.19482	1.6
279.17621	1.3
279.21036	2.4
283.20523	1.7
287.20288	1.3
291.20975	1.4
295.20609	2.1
303.20923	2.2
305.22510	1.3
307.24088	2.0
319.24210	3.3
321.22177	2.5
321.25623	2.1
323.23648	1.9
335.23499	1.3
337.25262	1.2
349.21423	1.7
349.25235	1.5
363.30475	1.8
365.24710	3.9
373.28781	10.7
375.30429	2.5
391.29877	65.4
392.30243	4.4
393.26813	1.9
393.31421	13.8
401.27985	3.1
402.91525	1.1
409.30844	4.2
419.29300	26.1
420.30035	1.1
437.25177	12.2
437.30374	93.2
438.30811	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.2
53.40251	0.8
53.50752	0.8
54.41429	0.7
55.01871	6.6
55.05503	19.7
57.03424	5.4
57.07052	1.8
59.04995	5.9
65.03905	2.8
67.05495	100.0
67.58748	0.9
68.05823	1.9
69.03397	2.5
69.07056	9.7
71.01340	1.2
71.04987	7.5
71.62550	1.2
71.62910	1.0
73.02901	1.3
76.23478	0.8
79.05479	19.6
81.03413	10.8
81.07046	36.2
82.07339	1.0
83.01319	4.4
83.04555	0.9
83.04977	10.3
83.08605	14.8
85.02865	3.5
85.06534	4.2
87.04442	1.5
91.05468	19.3
93.06472	1.5
93.07030	27.2
95.04956	8.1
95.08593	19.6
97.02867	3.9
97.06511	4.9
97.10123	3.4
99.04424	1.8
99.08075	1.8
103.05426	1.1
105.07018	13.8
107.04932	6.1
107.08584	21.8
109.02832	1.6
109.06532	5.1
109.10139	74.5
110.10448	1.6
111.04403	2.1
111.08065	5.6
111.11642	0.8
115.05415	1.0
117.07001	6.7
119.04960	0.8
119.08567	20.5
121.06441	3.0
121.10123	12.2
123.08027	7.4
123.11682	3.9
125.05926	2.6
125.09634	4.3
127.11132	1.5
128.06137	1.0
129.06934	2.4
130.07768	0.8
131.08542	5.5
133.10104	6.7
134.09634	0.8
135.07996	3.3
135.11684	12.8
137.09592	6.7
137.13138	1.0
139.07487	1.4
143.08527	2.2
145.10109	15.0
147.04320	1.4
147.07974	2.5
147.11688	4.5
149.02289	1.9
149.05859	1.1
149.09563	1.4
149.13252	3.9
153.09128	0.9
153.12645	3.8
155.08539	1.7
155.10622	4.0
157.10085	3.0
159.11674	4.3
161.09541	1.6
161.13228	4.9
163.09830	1.3
163.11166	20.8
163.14769	1.7
167.07056	0.9
169.10100	0.9
171.11629	2.3
173.09572	3.0
173.11739	23.6
173.13196	3.1
175.11110	1.0
175.14783	2.0
179.14220	3.4
181.08496	2.1
181.12204	5.3
183.11649	1.3
185.13177	3.5
187.11113	0.8
187.13210	1.3
187.14766	3.5
189.11024	1.1
189.16318	1.6
191.10571	2.9
191.14143	0.9
193.04907	1.2
193.12195	1.4
193.15736	1.1
195.13673	1.1
197.13138	1.3
199.09558	3.3
199.14757	2.5
201.16328	2.5
203.17827	1.2
209.11694	8.0
213.16289	1.0
215.17941	1.7
220.13263	2.9
227.12764	11.3
228.23232	1.6
229.19478	1.1
237.07394	2.1
267.20959	0.9
275.20044	1.3
324.11380	2.6
383.25748	1.1
391.29608	2.0
394.14462	1.2
419.28214	2.8
437.25085	79.1
438.26270	2.5
438.27328	2.4
441.30664	1.0
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
52.72223	0.6
53.03943	2.2
55.01867	6.0
55.05504	20.3
57.03437	4.9
57.07074	2.0
57.66273	0.6
59.00115	0.7
59.05001	4.8
65.03931	2.8
67.05498	100.0
68.05827	2.0
69.03423	1.8
69.07060	6.8
69.45034	6.7
71.01353	1.1
71.04988	5.3
71.08670	0.8
73.02914	0.8
73.98641	0.7
74.69418	0.7
79.05482	19.3
79.06197	1.0
81.03411	7.3
81.07048	34.7
82.07412	1.0
83.01337	5.9
83.04977	11.0
83.08606	11.6
85.02892	2.7
85.06519	4.6
87.04446	0.8
91.05471	18.3
91.25348	0.7
92.05799	0.9
93.06456	1.4
93.07037	23.3
95.04959	6.5
95.08596	15.0
97.02898	2.3
97.06507	3.7
97.10172	2.6
99.04419	1.9
99.08105	0.9
102.09187	0.9
103.05423	0.7
105.07024	9.3
107.04960	5.2
107.08580	15.1
109.06525	4.2
109.10144	66.5
110.10485	1.9
111.04430	2.1
111.08089	4.2
116.90233	0.6
117.07008	6.7
119.08574	13.9
119.09438	0.7
121.06505	1.6
121.10137	7.8
123.08073	4.1
123.11713	1.8
125.09651	1.8
127.11177	0.8
128.06148	0.7
129.07007	1.6
130.07797	0.8
131.08568	4.6
133.10117	5.1
135.08034	1.9
135.11681	10.9
137.09616	4.3
139.07529	0.8
143.08533	0.9
145.10114	13.5
147.08015	1.5
147.11681	2.8
149.09654	0.9
149.13240	2.3
153.12689	3.9
155.08539	1.9
155.10634	4.3
157.10060	1.6
159.11694	1.8
161.13251	1.1
163.03947	1.4
163.11168	19.9
164.04225	0.8
171.11641	1.6
173.09601	2.1
173.11736	23.8
173.13142	1.5
175.11223	1.5
175.14813	1.4
177.12729	0.8
181.12196	3.4
183.11661	0.9
185.13156	1.5
187.14804	1.7
189.11157	0.9
189.16394	1.2
191.10660	2.5
199.14819	1.6
201.16362	2.0
207.06413	0.7
209.11705	6.5
213.16396	1.3
215.18013	0.8
225.16322	0.8
227.12741	5.8
257.26788	1.0
318.69711	0.7
345.20364	0.8
419.23682	0.9
419.33191	1.0
437.25146	74.0
437.35217	4.2
438.25461	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	436.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.05501	10.6
57.07061	3.1
62.17345	2.9
65.03926	2.9
67.05497	13.9
67.33588	2.8
69.03417	4.8
69.07061	14.3
70.27028	4.7
70.27431	11.1
71.04971	23.3
73.83072	2.5
79.05488	25.2
81.03391	3.7
81.07045	100.0
82.07371	2.8
83.08592	3.4
85.02900	9.6
91.05468	12.8
93.07035	38.1
95.04977	8.0
95.08588	25.2
97.02892	3.8
97.06512	4.4
97.10168	4.6
99.08069	5.0
101.53396	2.5
104.11609	2.5
105.07015	35.7
107.04939	8.0
107.08578	51.6
109.06518	3.6
109.10144	37.4
111.08083	4.3
117.07030	4.8
119.04911	2.6
119.08565	60.5
121.02855	2.9
121.06521	4.6
121.10136	9.2
123.04398	3.7
123.08037	5.8
123.11680	19.6
125.09630	5.9
127.03906	5.0
127.11188	22.3
133.10104	33.3
135.11667	99.6
135.12704	5.6
137.09543	2.9
137.13251	5.2
139.11206	4.1
143.10654	17.9
145.10100	3.6
147.11674	22.3
149.13208	8.7
151.11174	3.0
153.01759	3.4
153.12720	32.6
159.11719	3.9
161.13261	18.7
165.12738	2.7
167.07014	26.8
168.07387	7.6
169.04958	4.1
175.14777	2.6
177.16440	3.5
181.04965	15.4
182.05232	12.3
191.03403	5.1
191.07042	3.8
193.08633	3.7
203.17937	65.6
211.09749	3.9
221.18971	57.0
233.07864	5.2
234.08446	6.0
239.16426	9.7
268.08289	5.9
343.08087	4.4
418.15689	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	436.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.4
56.95080	0.7
57.01424	0.6
57.03429	5.6
61.02908	1.4
69.03418	3.4
70.06584	0.8
70.86062	2.3
71.04955	0.9
72.04698	0.6
73.02915	3.3
75.04466	2.7
79.05470	1.3
81.03364	0.9
85.02888	7.3
91.05463	2.7
97.02871	3.0
103.05455	1.5
105.07012	24.6
107.04926	5.5
109.02878	1.0
109.06496	0.7
111.04420	0.8
112.07580	0.8
115.03922	0.9
117.07036	0.7
121.02858	1.2
122.03659	0.8
125.05940	1.1
127.03906	1.2
133.06467	53.1
133.59438	0.6
134.06822	1.4
137.05952	100.0
138.06279	1.5
145.04958	1.4
147.08051	0.7
151.03937	1.0
153.01825	0.8
163.06161	1.4
163.07538	4.4
165.09081	35.6
175.07504	4.6
175.11267	0.9
177.09056	0.7
181.08612	1.9
183.10135	25.0
184.10435	0.8
203.10732	2.3
209.11697	1.3
221.11707	3.6
239.12682	3.3
257.13803	70.5
258.14111	2.6
299.11258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01857	1.1
57.03425	2.4
59.04978	0.3
61.02925	1.9
69.03423	5.7
69.79269	0.3
70.85915	0.7
70.86290	0.7
71.01352	0.4
73.02908	11.6
77.03906	0.4
79.05488	3.3
79.07439	0.3
81.03394	1.1
83.05003	0.3
85.02891	10.2
87.04450	1.4
89.06020	1.1
91.03921	0.4
91.05480	0.7
91.06654	0.3
93.07055	0.3
95.04960	2.2
97.02883	8.6
97.06529	0.4
99.04447	0.9
103.03924	0.8
103.42838	0.3
105.04514	0.5
105.07015	0.7
107.04940	100.0
108.05276	2.0
109.02850	1.7
109.06513	0.9
111.04449	0.4
115.03907	5.3
119.04218	0.3
119.04919	1.9
119.08526	0.6
121.02854	3.2
121.06474	2.3
122.03149	0.4
123.04407	0.8
127.03899	3.2
131.04919	1.9
133.04955	4.2
133.06483	0.9
137.05974	1.2
139.03856	1.6
145.04942	3.8
145.06552	1.6
147.08022	0.8
149.05956	2.9
150.07593	0.6
151.03871	0.6
153.01859	0.7
157.06429	0.3
161.04744	0.3
161.05986	1.2
163.06024	2.0
173.05966	2.7
175.07515	0.6
177.09065	2.9
191.07036	3.9
193.58972	0.4
203.06943	1.7
209.08171	0.3
221.08104	2.8
221.11661	1.2
239.09155	0.9
241.07051	1.0
257.13739	0.7
259.08087	1.9
269.10168	0.9
274.07907	0.6
275.14014	0.3
277.09000	0.4
283.08200	0.9
295.10269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.01842	2.4
55.05489	1.1
57.03410	2.6
61.02904	2.5
62.52474	0.8
65.03925	1.8
69.03426	9.2
70.00763	1.3
70.01173	3.2
70.06575	4.4
71.04968	2.2
71.88242	1.0
73.02901	10.5
74.06072	0.8
78.29274	0.8
79.05458	3.9
80.61323	0.9
81.03403	6.7
83.04969	1.4
85.02419	1.3
85.02893	17.3
85.89147	0.7
87.04440	2.4
89.05993	2.8
91.05511	0.9
95.04955	7.4
97.02290	1.0
97.02874	15.5
99.04424	3.1
101.06018	1.1
103.03927	1.2
105.07029	2.1
107.04937	100.0
107.08564	1.2
108.05282	1.2
109.02841	5.6
111.04413	1.3
112.07593	4.2
113.24174	1.0
115.03891	4.2
116.07070	1.5
119.04887	1.9
119.08662	0.9
121.02847	99.0
121.06478	2.6
122.03130	1.6
123.04359	1.3
123.08073	0.9
124.03899	1.7
127.03893	8.0
129.05428	0.8
131.04890	2.3
131.08582	1.2
133.04924	5.2
133.06470	2.4
137.05959	5.9
139.03877	23.5
140.07051	4.2
145.04924	4.9
145.06461	1.5
147.08061	1.1
149.05931	3.5
151.03876	1.5
153.01794	2.0
161.05933	2.1
163.05983	2.1
165.09019	2.2
168.06512	2.2
173.05952	1.3
175.07530	1.0
177.09065	3.7
191.06931	4.0
203.06946	1.6
219.67693	1.0
221.08034	1.9
221.11617	1.7
235.98698	1.0
239.09027	1.1
257.13666	2.9
259.08060	1.4
265.06992	10.9
269.10001	1.5
274.07874	1.1
275.13669	1.1
283.08044	27.9
313.11996	1.0
340.68164	0.9
390.48795	0.9
436.18430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01855	2.4
57.03418	3.2
59.04986	0.9
61.02906	1.5
64.62132	0.6
65.03920	0.6
67.05494	1.0
69.03423	6.6
69.07033	0.8
70.06576	3.1
71.01332	0.9
71.04964	1.4
71.61124	0.6
71.61459	0.7
71.94392	0.5
73.02618	0.5
73.02914	4.9
75.04433	0.6
77.03926	0.6
79.05477	4.0
81.03409	4.0
81.07050	0.8
83.04977	1.2
85.02412	0.9
85.02894	10.8
87.04443	0.9
89.06023	1.5
91.05476	0.9
93.07018	1.9
95.04958	4.5
97.02877	8.3
99.04395	0.9
101.06008	0.6
103.03915	1.1
105.07008	1.4
107.04937	100.0
108.05277	1.7
109.02866	3.5
109.06490	1.1
111.04414	1.3
112.07594	2.1
115.03922	1.9
116.07096	0.8
119.04913	1.0
121.02849	23.0
121.06552	0.8
123.04403	1.3
123.08066	0.7
124.03914	1.3
124.07552	2.7
125.05983	0.7
126.05475	0.8
127.03910	4.6
131.04819	0.8
133.04941	3.3
133.06488	2.0
133.10121	0.7
137.05940	3.7
139.03874	4.4
139.04828	1.0
140.07042	2.8
141.05490	0.7
145.04948	3.6
145.06532	1.4
149.05962	1.8
149.09615	0.8
151.03889	7.3
151.07559	0.8
152.04208	3.5
153.01816	11.0
153.09003	0.6
158.08189	0.8
163.05992	0.7
165.09132	1.3
167.07002	1.0
168.06543	0.7
169.04910	1.0
171.02872	2.0
173.05910	0.7
177.09105	3.1
191.07040	1.4
221.08075	1.6
221.11729	1.7
239.09233	0.6
239.12720	1.4
257.10733	0.6
257.13870	2.2
259.08139	0.6
265.07159	2.0
269.10187	0.7
274.16519	0.6
283.08084	6.6
295.10324	0.8
297.06088	0.7
314.09586	0.7
315.07159	1.8
337.75275	0.5
421.19089	0.6
436.18887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	44.5
57.07072	22.8
59.04982	3.2
67.05496	21.8
67.12230	2.6
67.42696	2.4
69.03397	4.9
69.07058	93.3
69.63927	21.1
71.08628	14.8
74.15502	2.6
74.78445	2.6
79.05461	10.3
81.07047	56.4
83.04974	4.6
83.08606	53.9
85.10162	6.1
91.05460	7.6
93.07018	12.0
95.08593	59.6
97.10152	44.0
98.20687	2.9
105.06989	12.0
107.08558	9.7
109.06505	38.3
109.10140	32.0
111.11707	28.1
117.07025	5.3
119.08540	11.7
121.06509	15.5
121.10103	5.8
123.04393	6.6
123.08035	7.6
123.11682	19.2
125.05974	27.8
125.13261	12.6
129.06940	2.9
131.08546	6.6
133.10094	6.4
135.07991	9.5
135.11685	3.1
137.05962	100.0
137.09557	3.6
137.13213	11.4
141.05417	10.1
143.08516	3.9
145.10098	8.2
147.11627	10.3
149.05994	3.9
149.09657	4.5
149.34415	2.9
151.07512	15.1
151.14792	4.8
153.05450	87.5
153.06729	4.9
157.10042	7.9
159.11710	4.0
161.09578	5.4
161.13240	4.9
163.07526	38.8
163.14793	3.1
165.09126	2.9
169.10112	2.9
175.07556	14.2
177.09091	57.1
181.08656	3.3
184.87611	3.0
189.09100	5.8
191.10652	42.2
193.08594	10.1
197.13263	3.3
203.10654	5.5
205.12192	3.6
207.10158	3.3
209.13188	4.0
217.12224	2.8
219.13644	3.5
221.15221	3.3
223.15111	3.3
332.07431	2.8
399.32364	19.9
417.33524	36.9
435.28140	6.0
435.35822	6.7
453.41156	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	435.3466
Annotation	5beta-cholestan-7alpha,12alpha,24-triol-3-one
Peak:m/z	Relative Intensity
53.44654	4.6
54.95954	4.8
55.01850	4.6
55.05504	38.1
55.09449	4.9
57.07071	36.4
67.05491	40.0
69.07058	51.2
71.04979	6.3
71.08622	30.7
71.64243	5.1
79.05486	16.5
81.07041	57.9
83.04988	6.7
83.08600	40.6
85.02890	44.1
85.10172	18.2
91.05447	11.8
93.07032	29.2
95.08592	62.0
97.02859	7.9
97.06506	10.5
97.10164	23.2
99.04424	15.3
105.07024	24.6
107.08579	24.0
109.02874	5.6
109.06499	11.9
109.10143	42.2
111.04430	18.1
111.11701	11.8
117.06995	7.5
119.08549	27.6
121.10122	23.1
123.08039	12.8
123.11678	21.4
125.06012	11.8
125.13249	7.2
127.03850	9.0
131.08514	8.1
133.10117	13.5
135.07999	8.4
135.11642	11.5
137.02240	6.4
137.05972	13.8
137.13206	6.5
139.03894	12.1
145.10118	10.7
147.11681	8.3
149.13246	11.9
151.03877	10.7
151.14783	7.4
153.05461	13.3
157.10106	6.7
159.11627	7.4
161.13202	7.1
163.07468	14.3
163.11127	7.0
165.09114	5.1
167.06978	5.6
171.11629	5.6
173.13277	6.5
175.11176	7.7
175.81554	4.9
189.12750	5.1
189.16371	7.5
301.28769	8.6
341.28528	7.5
371.33127	6.5
375.32333	10.4
389.34149	32.4
399.32507	23.7
417.33633	100.0
435.34662	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	435.3249
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03933	0.6
55.05511	2.4
57.03411	0.5
57.07061	1.0
59.83471	0.3
63.20197	0.3
67.05501	4.9
69.03419	0.7
69.07059	17.0
69.56148	2.2
69.56550	0.7
70.06570	0.4
70.07410	0.4
71.04978	0.4
79.05474	2.9
81.07048	7.6
83.08588	2.2
85.06557	0.5
91.05467	3.2
93.07027	7.5
95.04958	1.1
95.08598	9.1
97.06510	0.7
97.10157	1.4
97.69682	0.3
101.20277	0.3
103.05534	0.4
105.07017	11.8
107.08578	9.4
109.10152	5.1
111.11720	0.4
112.76180	0.3
115.05437	0.3
117.06981	1.4
119.08563	15.4
121.06474	0.7
121.10133	7.4
123.08038	0.4
123.11697	1.6
124.14899	0.3
125.05988	0.4
125.09661	0.4
128.06203	1.0
129.07010	1.3
131.08539	6.4
133.10115	9.0
135.11684	3.5
137.09668	0.4
137.13235	0.4
139.07561	0.5
141.06993	0.5
142.07703	1.8
143.08533	4.6
144.09323	0.9
145.10101	10.4
145.11246	0.5
146.10483	0.5
147.11670	7.1
149.13251	1.2
153.09123	1.3
155.08528	1.7
156.09331	1.6
157.10109	9.3
158.10822	1.5
159.11668	13.4
159.50821	0.3
160.12112	0.4
161.13249	5.1
162.13478	0.4
163.14761	2.1
169.10117	2.7
170.10889	1.5
171.11664	8.3
172.12379	1.3
173.09564	0.4
173.13245	8.5
173.14662	0.6
174.13872	0.5
175.14803	21.5
176.15193	0.9
177.16383	3.0
181.10100	0.8
181.12239	0.6
182.10896	0.9
183.11678	4.1
184.12433	1.4
185.13216	3.5
187.11166	0.4
187.14774	5.6
188.15132	0.5
189.16350	4.3
191.14203	0.4
191.17957	0.5
193.10156	0.6
193.12154	0.4
193.15860	1.2
195.11638	1.8
196.12444	0.6
197.13229	3.8
198.13954	1.6
199.14784	7.7
200.15300	0.6
201.16353	6.9
203.14287	0.5
203.17981	2.3
205.19527	0.4
207.11658	1.0
207.13556	0.4
209.13246	3.1
210.13936	0.6
211.14812	2.9
212.15584	1.3
213.16354	18.4
214.16710	0.8
215.17932	7.3
216.18300	0.4
217.19337	0.5
219.13742	0.6
221.13237	1.0
221.15398	1.4
221.18961	0.4
222.13927	0.4
223.14761	3.3
224.15543	0.9
225.16360	2.5
226.17119	0.5
227.17917	4.4
229.19296	0.7
233.13168	0.4
235.14824	1.7
235.16891	0.5
237.16336	3.0
239.17982	1.2
241.19414	2.5
243.21071	0.5
247.14848	0.4
249.16351	1.5
250.17018	0.6
251.17905	1.7
253.19421	0.8
263.17953	1.1
264.18460	0.5
265.19519	1.5
267.21051	0.8
274.76099	0.3
275.17908	0.5
277.19513	1.2
278.20157	0.5
279.20874	1.6
281.22598	0.8
289.19260	0.4
291.21005	1.0
293.22638	1.4
303.01385	0.3
304.21649	0.5
305.22574	2.1
311.20270	0.6
319.24298	3.1
320.24792	1.2
321.25708	4.8
324.20663	0.4
325.21515	0.5
327.56610	0.4
331.24121	1.5
333.25705	3.7
334.25912	0.4
340.94720	0.3
343.22528	0.9
346.26495	1.3
347.27127	1.1
350.22388	0.9
351.23077	2.7
353.24823	0.5
359.27304	0.4
361.23495	0.5
365.24637	3.1
366.25424	3.1
367.26093	2.6
368.26978	0.4
374.29663	0.3
377.24686	2.0
379.26245	9.4
380.26669	0.9
389.32016	7.6
390.32321	0.6
391.26385	0.8
392.26978	2.0
393.27872	1.0
407.29034	0.4
417.31339	1.0
435.32538	100.0
436.32922	11.9
436.37399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3249
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03936	2.0
54.10852	1.9
55.01871	1.9
55.05503	13.5
57.03411	3.2
57.07059	2.9
63.26105	1.4
67.05500	27.3
67.89030	1.2
68.76318	1.3
69.03422	2.5
69.07057	15.1
71.04980	2.3
79.05476	18.2
81.03397	3.7
81.07047	30.7
83.04968	3.4
83.08609	9.9
85.06534	4.6
91.05464	21.3
93.07031	30.9
95.04950	10.2
95.08595	44.6
97.06531	3.7
97.10163	5.3
98.20768	3.5
99.08031	1.4
103.05471	3.1
105.07017	33.3
107.04930	4.3
107.08580	34.4
109.02866	1.4
109.06521	5.5
109.10138	24.8
111.08058	7.0
115.05518	2.4
117.06998	7.4
119.08561	70.9
121.06454	2.9
121.10131	24.1
123.08075	3.6
123.11720	9.3
128.06200	1.5
129.06973	4.9
131.08554	18.8
133.06413	1.4
133.10110	41.9
133.11073	2.8
134.10478	2.0
135.08052	6.0
135.11676	17.8
137.06000	1.9
137.09584	3.4
137.13268	3.7
141.07005	3.0
142.07780	3.4
143.08542	10.3
144.09369	1.7
145.10107	47.8
146.10466	2.6
147.08040	2.1
147.11674	24.2
149.09608	5.7
149.13234	10.8
151.07491	1.7
151.11212	1.6
151.14713	1.6
153.09123	2.4
153.12840	1.4
155.08461	3.4
156.09349	4.0
157.10091	16.7
158.10843	2.2
159.11667	48.4
160.12050	2.4
161.09604	2.3
161.13248	17.0
163.07532	3.8
163.11188	4.2
163.14812	8.0
167.06990	1.6
167.08495	1.6
169.10187	5.9
170.10930	3.2
171.11636	17.0
172.12305	1.5
173.13226	17.6
175.11224	3.3
175.14810	22.6
175.16249	1.8
177.09129	2.5
177.12750	3.1
177.16370	8.8
181.10150	2.4
182.10960	1.7
183.11690	6.7
185.13226	15.1
186.13824	1.9
187.11270	2.4
187.14799	41.7
187.16408	2.7
188.15230	1.9
189.12785	1.7
189.16354	44.2
191.14296	3.4
191.17986	2.8
193.12283	3.3
195.11674	2.8
196.12346	1.5
197.13280	6.9
199.14804	13.4
201.16359	47.1
201.18239	2.8
202.16742	2.4
203.14316	1.9
203.17953	8.3
205.12238	3.1
205.15845	3.8
205.19569	1.6
207.11765	1.9
207.13835	3.2
209.13306	3.9
211.14833	6.0
212.15489	1.5
213.12973	1.8
213.16365	37.2
214.16737	1.6
215.14420	1.9
215.17900	14.1
217.19398	2.5
219.13889	3.5
221.13295	2.5
221.15300	2.0
223.14893	3.4
225.16397	4.2
227.17938	7.5
229.15953	1.8
229.19501	2.7
229.31435	1.5
231.13832	2.0
233.15379	3.3
237.16212	2.4
239.17854	3.2
241.19508	4.1
245.15378	3.3
247.16783	8.7
253.19583	5.9
255.21181	2.3
259.17010	2.6
267.21094	2.7
277.18692	1.4
279.20981	2.0
293.22626	2.6
303.01190	8.6
319.24347	1.5
325.21844	1.8
333.44223	1.6
343.22556	10.0
351.23199	2.2
353.54343	1.4
361.23410	2.1
365.24600	1.8
389.32010	16.5
390.32364	1.8
399.28922	3.8
407.33142	4.0
417.26196	7.0
417.30862	9.2
435.27377	15.8
435.32614	100.0
436.27707	2.7
436.32977	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	435.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.01866	3.6
55.05503	18.0
57.03436	4.6
65.03918	3.1
67.05492	48.8
69.03399	2.1
69.07053	12.6
71.04983	3.4
72.30269	1.7
79.05499	17.1
81.03401	10.1
81.07048	44.0
83.04995	4.2
83.08183	1.7
83.08616	7.3
85.06528	5.5
91.05462	23.6
93.07037	33.9
95.04951	24.5
95.08594	56.2
95.41872	1.6
97.06544	2.9
97.10177	5.8
99.04490	2.2
99.08094	24.7
101.06020	3.5
105.07014	26.3
107.04940	9.9
107.08582	47.0
108.41590	1.8
109.06519	5.7
109.10146	100.0
111.08057	3.9
113.05994	2.3
117.06998	8.1
119.08566	47.4
121.06489	12.5
121.10136	26.9
123.08051	6.2
123.11690	8.1
125.09636	8.6
127.07558	3.2
128.06201	2.5
129.06996	5.9
131.08542	17.9
133.06506	3.5
133.10110	23.3
135.08009	5.7
135.11653	25.6
137.08530	3.2
137.09596	63.6
137.13214	2.3
142.07803	2.0
143.08542	5.1
145.06505	2.6
145.10094	14.7
147.08054	3.2
147.11656	14.6
149.09528	4.7
149.13211	10.3
151.07585	1.9
151.11189	2.5
153.09082	3.8
155.08562	2.2
157.10117	9.6
159.11681	21.0
161.09598	4.7
161.13229	12.2
163.11134	11.3
163.14822	5.6
165.12776	5.5
167.10655	3.4
169.10132	4.5
171.11635	9.1
173.13225	25.6
175.11185	5.4
175.14806	6.9
177.12717	11.2
177.16348	1.9
179.10655	3.5
181.12238	5.1
183.11668	3.3
183.13748	3.9
185.13258	6.3
187.11171	2.4
187.13379	1.8
187.14761	11.1
189.11244	2.7
189.12683	8.8
189.16435	4.0
191.14279	10.6
195.13753	13.8
197.13286	2.1
199.14804	5.8
201.16394	7.5
203.14336	7.2
205.12320	2.3
205.15884	3.6
207.13818	5.7
209.13420	2.5
209.15379	5.3
213.12698	3.0
215.14272	2.3
217.15875	6.0
219.14034	2.1
219.17380	2.6
225.16182	2.3
227.17964	6.8
235.16910	4.1
245.15355	4.5
245.19014	14.0
249.18726	2.2
263.16800	3.6
263.19995	28.0
281.20972	2.4
303.01364	2.1
321.25797	3.6
325.21643	4.6
341.24612	2.0
343.22647	29.6
353.28455	2.9
361.23813	8.7
363.26730	7.6
381.27841	23.2
399.28958	30.4
417.25439	21.2
417.30469	8.2
418.26392	2.3
435.26505	16.0
435.31976	54.2
436.31891	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	435.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41164	1.1
53.03928	1.5
55.01862	2.7
55.05502	7.1
57.01574	1.1
57.03429	3.5
57.07053	3.3
59.04986	1.4
65.03941	3.9
67.05489	11.5
69.03414	4.9
69.07053	11.6
71.00929	3.4
71.04980	3.9
74.36631	1.1
75.04465	1.1
79.05473	14.3
81.03421	6.3
81.07037	24.2
82.04156	1.3
83.04955	2.1
83.08592	5.6
85.02882	8.9
85.06516	3.8
91.05457	9.7
93.03383	2.1
93.07028	24.0
94.07368	1.6
95.04917	6.2
95.08591	39.6
97.02879	2.8
97.06505	6.6
97.10159	4.3
99.04430	1.3
99.08076	1.9
103.05466	3.7
105.07017	19.1
106.04160	2.4
106.07352	1.9
107.04939	11.9
107.08577	32.4
109.02878	4.2
109.06513	4.2
109.10137	24.8
111.04424	2.0
111.08058	5.9
113.09627	1.2
115.05423	2.2
117.07001	5.5
119.08576	18.6
121.02910	1.4
121.06495	8.2
121.10120	28.3
123.04422	4.2
123.08034	4.9
123.11678	6.8
124.05195	2.6
125.05960	4.0
125.09607	3.8
127.03899	4.6
129.06978	2.7
131.04921	3.9
131.08539	12.5
133.06508	3.2
133.10097	12.8
134.10439	2.0
135.04396	1.9
135.08060	3.1
135.11665	26.9
137.05954	4.5
137.09590	2.1
137.13217	2.5
139.07481	2.0
139.11185	2.5
143.08536	2.4
145.04863	1.4
145.06493	5.0
145.10094	29.4
147.04411	1.4
147.08006	1.7
147.11682	11.5
149.05962	5.5
149.09628	2.6
149.13225	6.8
151.03938	1.9
151.07466	1.4
151.11179	2.2
153.01872	2.0
153.05441	1.8
153.09064	1.6
155.07092	1.4
157.06487	2.6
157.10130	3.6
159.08026	2.0
159.11665	31.0
161.05963	4.5
161.13229	6.7
163.07516	1.7
163.11151	7.1
163.14825	3.2
165.05528	1.9
167.07013	45.8
167.14345	1.9
168.07393	1.5
171.06560	2.2
172.05125	2.5
173.05968	3.0
173.13286	4.4
175.07535	3.2
175.14816	3.9
177.05478	8.4
177.12816	2.2
177.16429	1.8
181.04927	45.3
181.08553	4.9
182.05305	2.4
183.11604	2.2
185.13358	1.5
187.07547	3.1
187.14783	2.6
189.05455	2.0
190.06232	1.8
191.07040	4.4
191.10686	2.2
191.17923	36.8
191.19551	2.6
192.18288	1.3
193.08583	1.5
200.04573	1.1
201.05394	3.3
201.16347	53.9
202.16719	3.0
203.17995	1.9
205.08563	3.6
206.05577	1.9
207.06485	2.0
209.08072	10.1
213.16414	1.6
217.12381	1.7
218.05725	3.2
218.21887	1.2
219.06287	2.0
219.17401	100.0
220.17697	7.1
221.08052	4.4
233.08040	24.5
235.09557	3.2
237.18457	98.9
238.18797	4.6
251.09145	4.2
255.19522	14.0
261.08893	1.2
261.18423	1.7
263.09146	5.1
265.21085	1.3
273.20639	3.9
303.01309	4.1
355.11389	1.5
363.21707	2.3
367.11758	2.8
375.14148	1.3
381.22809	5.3
387.14374	4.2
399.14212	2.7
399.23877	2.0
399.28751	2.0
417.15387	22.3
417.24588	2.1
418.15793	2.8
435.24033	2.0
435.31406	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	435.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.01861	1.1
55.05502	39.3
57.03424	5.7
59.04996	4.3
61.02930	0.8
62.46963	0.7
67.05489	2.8
69.03418	20.3
70.67401	1.3
70.67769	1.7
71.04980	33.7
73.02921	0.9
73.06541	3.3
77.02328	0.7
79.05481	1.7
81.03412	11.9
81.07041	1.5
83.04967	100.0
84.05312	1.0
85.02891	6.3
85.06538	5.3
87.95148	0.6
91.05473	1.0
92.58197	0.6
93.07047	1.5
95.04967	3.6
97.02882	5.1
99.04437	10.1
101.06001	46.0
105.07010	0.9
106.02876	1.4
107.04935	1.8
107.08605	1.1
109.02870	5.0
109.06490	0.8
113.05985	4.0
119.07030	0.9
121.02856	7.2
121.10149	0.9
123.04427	1.5
123.08029	0.8
124.03944	1.9
125.05962	0.8
125.09613	2.1
127.03904	9.9
127.07519	8.0
129.05453	25.8
131.07025	2.7
137.05899	1.7
141.05472	3.1
143.06964	1.2
145.04944	2.1
145.06728	0.9
145.08580	25.4
147.06491	16.2
153.01854	4.6
155.06978	4.9
159.06517	4.7
161.05968	1.8
167.07062	1.9
167.10684	1.0
179.06937	0.8
181.08600	0.7
185.08096	0.9
187.05975	14.9
189.09093	1.0
207.10118	0.8
209.07994	1.2
227.09120	2.1
268.08160	1.0
273.12140	0.7
287.11295	4.3
299.11111	1.8
303.01364	1.8
305.12262	27.8
306.12561	1.3
375.16473	2.8
385.14914	2.2
399.16330	1.0
417.17395	10.3
435.18399	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	435.1492
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
53.03938	1.3
55.01851	0.9
57.03426	1.0
65.03922	1.7
67.05490	0.5
69.03421	4.7
70.06555	0.7
71.04992	0.5
71.10667	0.4
71.61330	0.7
73.02914	0.6
81.03406	5.2
83.04981	0.4
85.02897	6.5
85.06552	0.7
85.72755	0.4
95.04963	5.8
95.08586	0.4
97.02879	3.8
99.04443	1.4
107.04943	1.9
109.02870	3.3
109.06499	0.5
111.04428	1.8
117.05447	0.5
121.02851	100.0
121.87656	0.4
122.03183	1.7
123.04422	1.5
123.08028	0.4
125.02335	1.0
125.05978	0.5
127.03884	3.7
131.07034	0.5
135.04356	0.4
137.02318	1.2
137.05893	0.6
139.03885	17.9
143.03355	0.7
145.04958	1.1
149.05962	0.6
151.03874	1.2
151.07507	2.3
152.07910	2.1
153.01811	13.1
154.04901	0.6
167.03406	0.5
167.07027	0.9
171.02884	1.3
171.18033	0.4
205.27620	0.5
234.98857	0.4
247.06003	0.8
265.07034	5.3
283.08078	16.2
284.08237	0.7
297.06186	0.5
303.01331	1.8
315.07104	1.7
435.14185	1.8
435.18506	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
54.06067	0.5
55.01866	6.8
55.05506	39.2
56.54713	0.5
57.03427	11.8
59.04996	2.9
65.03924	1.3
67.05491	5.1
67.57078	0.6
69.03421	29.4
69.07053	0.7
71.04984	63.2
71.61646	0.9
72.05314	0.8
73.02914	1.7
73.06536	2.9
79.05482	1.5
81.03409	17.5
81.07043	1.9
83.04971	94.6
84.05280	0.9
85.02415	0.9
85.02896	9.8
85.06538	4.4
85.52972	0.5
87.00793	0.6
89.06017	0.5
91.05474	2.3
93.07031	1.9
95.04954	7.9
95.08605	0.8
97.02885	6.7
97.06510	1.8
99.04443	13.6
99.05084	0.9
101.06004	100.0
102.06289	0.7
105.06998	1.4
106.02914	1.4
107.04929	2.5
107.08576	1.3
109.02867	12.0
109.06504	1.9
109.10164	0.7
111.04424	2.1
111.08056	0.8
113.05975	3.0
115.03876	0.8
117.05468	0.9
119.04923	0.8
119.07044	7.2
121.02849	11.3
121.06500	1.3
121.10101	0.9
123.04415	1.5
124.03956	2.8
124.07574	0.6
125.02343	1.1
125.05984	1.2
125.09637	1.2
127.03897	11.2
127.07544	8.8
129.05464	27.7
131.07016	2.6
133.04938	0.7
135.07977	0.6
137.05960	1.9
139.03889	1.3
139.07489	1.1
141.05431	3.4
143.03355	0.8
143.06964	1.0
145.04924	3.1
145.08577	23.8
147.04495	1.3
147.06503	26.6
147.07704	1.3
149.05984	0.7
149.09560	0.6
151.03903	4.0
151.07475	0.6
153.01804	6.9
155.07008	6.4
159.06474	5.6
161.05963	0.8
161.08035	1.8
163.07495	1.1
167.07033	1.8
167.09091	0.7
169.04865	0.8
171.02850	0.7
181.08456	0.6
187.05988	8.9
191.06999	0.8
209.08037	1.5
227.09061	1.9
239.09308	0.6
245.10150	1.0
257.10297	0.6
259.11853	0.7
273.07617	0.6
273.12872	0.6
287.11166	0.7
299.11133	2.2
301.50320	0.6
303.01321	0.7
305.12271	38.4
306.12534	1.0
345.50534	0.6
375.16550	4.9
385.14832	3.3
399.16089	0.7
417.17502	16.7
435.13885	0.7
435.18338	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	435.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01883	0.8
57.03452	1.3
61.02954	0.6
67.05524	0.5
69.03423	4.3
69.07076	1.3
70.06612	1.8
71.05003	1.2
71.61516	0.5
71.61912	0.6
72.86461	0.4
73.02912	0.6
79.01849	3.6
79.05499	1.1
81.03416	5.3
81.07085	0.9
83.05028	1.1
85.02900	8.0
85.06536	2.9
91.05502	1.1
93.07066	0.8
95.04982	1.0
95.08626	0.8
97.02891	5.3
97.06561	0.8
97.18539	0.5
99.04472	1.1
99.81705	0.4
101.05998	0.7
103.05449	0.4
103.07591	0.8
105.07034	1.4
105.82881	0.4
107.01320	1.0
107.04937	6.3
107.08595	0.9
108.05350	0.4
109.02880	6.5
111.04448	0.5
112.07630	0.6
113.06001	2.0
114.06325	1.0
115.03872	0.5
119.04931	1.1
119.08580	0.7
119.28232	0.4
121.02847	1.4
121.06479	0.5
121.08597	0.5
121.10156	0.8
123.04416	3.5
123.08044	0.8
124.03936	0.5
124.07585	1.7
125.02336	4.1
125.05959	0.6
127.03891	8.6
133.10112	1.0
135.04454	0.6
137.02324	0.6
137.05989	1.2
139.03897	2.4
140.07043	1.5
141.05457	4.5
143.03378	4.3
145.04950	1.3
147.04425	0.7
151.03882	1.6
152.05661	2.0
153.01814	100.0
154.02158	2.8
155.07098	0.7
161.06055	0.7
161.13228	0.7
163.03934	0.6
165.05423	0.7
167.07005	0.9
168.06522	1.6
171.02875	11.1
171.04378	0.5
209.15239	0.8
212.52191	0.5
245.08029	0.5
257.07999	0.7
273.07458	1.6
297.06003	3.3
303.01190	1.6
315.03690	0.9
315.07083	15.2
341.10318	0.5
342.40231	0.5
403.13754	0.5
403.53802	0.5
410.60056	0.5
435.14240	21.7
435.39551	0.5
436.14902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0916
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01878	0.2
55.05491	0.3
57.03411	1.0
61.02916	1.7
63.31231	0.2
65.03903	0.3
67.05487	0.5
68.99777	0.7
69.03044	0.2
69.03412	1.1
69.07057	0.4
69.38673	2.3
71.01336	0.3
71.04979	0.4
73.02907	14.7
79.05468	0.6
81.03426	0.4
81.07030	0.8
83.04963	0.3
85.02893	0.7
85.06538	0.3
87.04435	0.3
89.40542	0.2
93.03367	0.3
93.07017	0.7
95.04950	0.9
95.08567	0.4
97.02888	0.7
105.06960	0.5
106.04191	0.4
107.04939	0.8
107.08575	0.6
109.02856	0.4
109.06543	0.3
109.10133	0.3
109.56447	0.2
111.00781	1.0
115.03901	1.2
121.02848	1.1
121.06489	0.7
121.10118	0.6
127.03947	0.3
127.11237	0.3
129.06961	0.3
131.08600	0.4
133.10080	0.7
135.04367	0.4
137.02327	3.7
137.09550	0.2
145.06500	0.4
149.02341	0.4
149.05939	0.3
153.01810	4.6
161.05959	0.5
163.03902	0.3
165.01808	1.5
167.07014	2.0
173.06015	0.4
177.05525	0.3
181.04901	0.8
181.08556	0.7
183.02876	0.8
183.04333	0.3
187.03912	0.3
189.09100	0.5
192.36378	0.3
193.29356	0.3
201.05428	2.1
201.82588	0.2
209.08072	0.3
211.13345	0.3
213.05424	0.2
217.12276	0.5
219.03026	0.4
229.04926	4.5
233.07964	0.5
237.13950	0.3
237.18423	0.6
247.06053	0.6
253.14314	0.3
257.04407	3.1
273.07651	0.3
274.04578	0.8
285.03915	1.1
285.11102	0.4
303.04944	100.0
304.05270	3.7
360.15131	0.4
361.16312	0.4
417.15582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0552
Annotation	Ellagic acid-4-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
55.01876	0.1
55.05495	0.3
57.03429	1.6
57.94184	0.1
61.02916	0.5
65.03946	0.2
67.05478	0.3
69.03069	0.2
69.03420	2.7
69.07040	0.4
70.06573	0.3
70.93401	0.4
71.04976	0.5
73.02908	4.1
79.01856	0.2
79.05493	0.7
81.03378	0.4
81.07045	0.5
83.04951	0.5
85.02891	1.5
85.06521	0.2
85.14665	0.1
85.28909	0.1
86.09713	0.2
89.03922	0.2
91.05482	0.9
93.07018	0.5
95.04963	0.4
95.08582	0.3
97.02881	2.6
97.06525	0.3
101.05991	0.4
103.05457	0.7
104.05762	0.2
105.07014	3.6
106.07364	1.2
107.04932	2.1
107.08562	0.5
108.03850	0.1
109.02839	0.3
109.06491	0.2
109.10109	0.3
111.04397	0.2
111.66634	0.1
113.05960	0.2
115.03912	2.3
115.05424	0.2
117.03383	0.1
119.04897	0.2
119.08562	0.2
121.02847	3.1
121.03890	0.2
121.06486	0.4
121.10141	0.3
123.04408	0.3
123.11707	0.2
125.09620	0.3
127.03889	0.4
129.05482	0.3
129.06966	0.2
131.04927	0.7
131.08493	0.3
133.02859	0.3
133.06470	0.3
133.10127	0.2
135.04344	0.2
135.08015	0.5
135.11623	0.2
137.05975	0.6
139.11200	0.2
141.05341	0.2
145.02859	0.3
145.04968	0.3
147.04369	0.4
149.05991	0.2
151.03903	0.2
151.07582	0.2
151.11180	0.2
153.01801	2.0
153.05408	0.2
157.02792	0.2
157.06464	0.1
159.07988	0.2
161.05931	1.2
161.09616	0.3
163.03874	0.6
163.07503	1.9
165.05408	0.4
165.09079	0.2
167.07033	0.8
167.10608	0.2
169.09747	0.1
173.02306	1.0
175.03918	0.4
175.07458	0.2
179.06999	0.4
180.07738	0.7
181.04990	0.2
181.08601	0.9
183.00842	0.1
185.02321	0.3
189.09059	0.9
191.03358	0.5
197.04591	0.2
201.01793	2.8
201.16290	0.2
203.03360	0.9
205.01392	0.1
207.02885	0.3
207.10162	1.1
213.01765	0.8
217.01340	0.6
219.02878	0.9
219.17371	0.3
229.01280	3.4
229.03381	0.2
231.02809	1.3
235.02301	0.2
237.18513	0.4
241.01273	1.0
247.02379	3.8
249.78438	0.1
257.00775	10.9
258.01126	0.4
259.02319	1.8
275.01810	11.7
276.02386	0.3
285.00259	10.0
286.00787	0.5
299.12552	0.2
303.01297	100.0
304.01633	2.6
315.12436	0.2
344.03973	0.2
359.15002	0.3
360.15744	0.4
361.16284	0.4
417.16522	0.2
435.05463	1.8
435.12000	0.3
435.17947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.4
55.01851	6.5
55.05505	12.6
57.03431	5.9
57.07066	3.8
57.66107	2.5
59.04971	3.8
62.06463	2.2
65.03931	5.9
67.05492	28.7
68.05839	2.6
68.38741	2.3
69.03420	14.7
69.07059	15.2
71.04987	27.8
71.62427	6.9
71.93883	2.5
79.05493	22.6
81.03394	11.7
81.07047	65.9
82.07368	5.6
83.04971	5.3
83.08608	7.8
85.02889	22.8
85.06524	9.2
91.05466	30.1
93.07027	66.3
94.07365	3.8
95.04936	12.2
95.08588	52.2
96.08942	4.2
97.02876	7.4
97.06492	14.5
97.10161	5.3
98.06895	2.8
99.04445	5.4
103.05447	2.8
105.04485	2.6
105.06379	4.0
105.07020	54.0
106.04119	2.6
106.07391	2.9
107.04928	11.7
107.08560	41.4
109.02821	3.3
109.06496	13.3
109.10146	35.0
110.10494	2.5
111.04406	3.1
111.08056	7.9
113.05995	2.8
115.05476	2.9
115.07568	7.4
115.22370	2.4
117.07002	6.5
119.04916	3.5
119.08569	40.6
120.08859	3.2
121.02829	2.7
121.06458	16.8
121.10117	21.5
123.08031	11.4
123.11682	31.4
124.05243	3.1
125.06064	5.0
125.09630	13.8
127.03943	12.4
127.07600	3.9
127.11198	13.5
128.04240	3.2
129.06917	3.3
131.04927	4.1
131.08572	15.6
132.08856	5.1
133.06483	4.9
133.09097	3.6
133.10103	74.3
134.10440	4.8
135.08009	5.8
135.11655	16.7
137.05969	7.4
137.09575	15.3
137.13196	3.1
139.07567	4.3
139.11208	4.0
143.08470	2.6
143.10707	4.3
145.04982	2.8
145.06462	3.1
145.10127	26.3
147.11676	26.9
148.12027	4.9
149.05948	9.5
149.09613	5.7
149.13235	8.2
151.07570	4.3
151.11174	19.4
155.10655	13.5
157.10007	4.1
159.07956	3.0
159.11642	25.1
161.05949	4.5
161.13235	11.4
163.07530	3.4
163.11156	7.5
164.07002	2.5
165.12698	6.8
166.13029	3.3
167.07011	43.3
167.08432	4.4
168.07303	3.6
169.12234	2.6
171.06516	4.4
171.11624	4.3
172.12169	3.3
173.05893	4.4
173.13261	11.5
175.07503	3.9
175.11163	4.6
175.14816	6.3
176.11470	3.1
177.05496	9.4
177.12704	5.5
181.04921	40.9
181.08615	4.9
187.07608	3.4
189.12630	3.3
191.06989	5.5
191.14287	4.2
191.17929	10.7
191.58754	3.0
193.12198	4.5
194.12578	4.4
199.14813	4.0
200.11487	3.7
201.05357	3.5
201.16359	32.7
205.08624	3.0
209.08052	13.4
211.13293	2.9
218.12491	6.2
219.17393	100.0
220.17755	3.0
221.07962	3.1
233.08034	19.3
235.13319	4.9
236.13586	11.5
237.18452	54.0
253.14259	4.2
254.14688	7.5
255.19556	16.8
263.09113	5.5
303.01346	6.2
318.55847	2.6
342.21381	11.1
387.14139	4.0
403.84024	2.5
414.56046	2.9
416.25009	7.6
417.15521	20.0
434.25867	13.1
435.28302	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	434.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01855	2.7
57.03428	24.9
59.04999	5.1
60.04496	2.0
61.02908	4.3
69.03419	78.0
69.07046	1.5
69.62993	6.2
69.63397	1.4
71.01321	1.4
71.04977	3.4
72.74306	1.0
73.02913	9.7
75.04459	2.1
79.05463	1.6
81.03400	7.1
81.07026	2.3
82.83593	1.0
83.04986	1.1
85.02892	96.2
86.03243	1.4
87.04455	50.5
91.03930	3.2
91.05476	1.7
93.07076	1.6
95.04951	2.1
97.02876	67.7
98.21468	1.9
99.04436	4.1
101.02323	1.0
103.03945	1.3
103.05439	0.9
105.07012	14.5
107.04932	1.8
107.08578	1.5
109.02863	4.9
111.04456	2.3
115.03913	100.0
116.04269	1.4
119.08549	2.7
121.02843	2.2
121.06487	1.7
121.10086	1.5
123.04366	1.2
127.03896	20.3
129.06979	1.0
131.04965	0.9
131.07033	2.0
133.04942	98.8
133.10127	1.7
137.05968	2.5
145.04941	33.1
145.10112	1.1
147.04366	1.1
147.08037	2.1
150.07590	15.9
151.03784	1.0
151.07486	1.3
153.01860	1.6
154.08664	1.6
161.05940	4.3
161.09648	1.6
161.13275	2.3
163.06001	16.9
165.08992	1.0
167.07007	1.3
175.07556	0.9
181.04961	3.8
181.24841	0.9
181.62144	1.0
187.05905	1.1
189.09009	4.6
191.06935	1.3
193.08527	1.2
195.02789	1.9
196.99748	1.0
201.09093	2.6
201.16318	1.1
205.07036	1.5
207.10162	4.0
211.06024	1.0
218.12347	1.0
219.10243	2.1
219.17413	1.1
223.06018	1.4
223.09647	1.9
233.08017	1.3
236.13716	1.2
237.11154	1.9
241.07062	3.4
249.11090	1.2
255.12225	2.5
257.00848	2.4
259.08008	7.1
275.01892	2.1
277.09137	2.9
285.00125	1.1
285.13342	6.4
295.10052	5.2
303.01297	18.1
404.14139	1.7
407.72672	1.0
447.27737	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
53.79070	0.3
55.01862	2.0
55.05503	0.9
57.03428	4.0
59.04987	0.6
60.04514	0.3
61.02911	1.4
64.68851	0.3
66.87491	0.2
67.05487	0.4
69.03418	5.6
69.07053	0.7
70.06567	0.4
71.01337	0.9
71.04976	1.3
71.60929	0.4
71.61248	0.3
72.04530	0.4
73.02907	4.0
77.03949	0.3
79.05482	2.9
81.03396	1.6
81.07011	0.4
83.04974	2.7
84.04479	0.3
85.02894	12.7
87.04456	0.6
89.06028	2.7
91.05474	1.5
95.04955	1.3
95.08578	0.3
97.02878	6.8
97.06494	0.3
99.04436	1.0
101.05991	1.1
103.03912	0.8
103.05433	2.1
105.03378	1.0
105.07016	100.0
106.07370	1.9
107.04924	0.6
109.02877	1.8
112.07642	0.3
115.03916	3.1
116.07113	0.4
117.07005	1.5
119.08552	0.8
121.02848	1.0
121.06524	0.5
123.04458	0.6
124.07603	0.9
127.03906	4.5
129.05486	0.9
129.06979	1.1
131.04907	0.4
131.08586	0.6
132.06522	0.9
133.04945	4.1
135.04379	0.4
135.06523	1.0
135.95787	0.3
137.09654	0.3
138.09167	0.4
139.07568	0.3
140.07053	1.3
141.06979	1.0
143.08591	1.0
145.04951	5.7
145.06447	1.8
145.08627	0.6
147.06496	0.7
147.08005	1.6
150.07607	1.6
153.01811	0.6
155.08530	0.6
157.06479	0.4
158.06046	0.3
159.08029	0.5
161.05814	0.3
163.06023	3.4
163.07391	0.6
165.86435	0.3
167.08522	0.5
168.06567	1.9
171.08012	0.8
174.94934	0.3
183.08084	0.6
187.07538	0.4
189.09183	0.5
193.08519	0.4
205.08621	0.5
219.10143	1.2
223.09528	0.5
231.10164	0.9
240.07361	0.4
241.07117	0.6
249.11215	1.0
259.08136	1.1
272.48672	0.3
273.12292	0.3
277.09381	0.4
295.10153	0.7
303.01349	1.8
305.12283	0.5
381.66653	0.3
417.17184	0.3
453.36172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3306
Annotation	3beta,5beta-Ketotriol
Peak:m/z	Relative Intensity
51.10472	1.1
55.05499	5.1
55.55005	1.3
57.07062	1.7
57.70742	1.3
67.05489	5.6
69.07068	11.7
79.05476	5.4
81.07045	15.6
83.04950	2.0
83.08591	2.6
85.06542	2.1
87.32770	1.2
91.05468	5.3
93.07027	14.5
95.08593	30.1
99.04431	3.6
101.05998	3.5
105.07014	24.1
107.08577	27.7
109.06525	2.2
109.10144	13.1
110.72572	1.3
111.08065	2.6
117.06998	1.6
119.08565	46.9
121.10124	22.2
123.11678	6.8
127.07527	1.2
131.08560	6.3
133.10107	25.3
135.11682	19.1
137.13228	2.1
138.87184	1.1
142.36873	1.5
144.54420	1.6
145.10106	19.4
147.07996	1.6
147.11662	62.2
149.09538	1.7
149.13252	10.2
151.11200	1.4
157.10117	3.6
159.11668	20.6
161.13229	10.0
163.11185	3.8
163.14812	11.2
163.16002	1.6
165.12735	24.1
167.10628	1.6
171.11678	2.3
173.13260	8.9
175.11201	6.5
175.14799	14.0
177.12709	4.0
179.14243	1.8
181.12302	3.4
187.14832	14.0
189.12737	5.2
189.16353	100.0
191.14223	4.0
191.17921	3.7
193.12234	21.2
195.13795	4.1
201.16360	7.4
203.17941	11.5
207.13899	8.4
207.17419	48.3
209.15445	3.3
213.16364	3.4
215.17940	12.2
217.19460	2.7
221.15300	2.1
223.16901	3.5
233.15215	1.8
233.18930	7.1
235.16927	4.8
249.18427	11.5
251.19960	8.0
261.18503	1.6
301.57999	1.5
361.28690	1.6
379.30051	9.1
397.30978	66.4
398.31497	1.4
415.26425	2.5
415.32022	48.3
433.33112	15.8
442.59940	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3305
Annotation	3beta,5beta-Ketotriol
Peak:m/z	Relative Intensity
55.01848	1.6
55.05497	7.6
57.07056	1.9
59.04981	0.9
67.05498	8.8
69.07050	11.1
69.53084	7.4
76.06025	0.9
78.12439	1.0
79.05488	7.6
79.25333	1.2
81.07044	22.8
83.04948	4.3
83.08588	4.0
85.06519	3.5
91.05450	6.5
91.63135	1.0
93.06462	1.6
93.07030	24.9
95.04934	1.9
95.08588	44.0
97.06498	3.6
97.10167	1.3
98.21433	1.8
99.04431	3.1
101.05997	5.1
105.07011	21.6
107.07851	2.2
107.08576	43.5
109.06490	2.2
109.10126	13.3
111.08056	3.5
111.11695	1.1
115.07529	1.2
117.07000	3.2
119.08566	41.8
121.06451	2.1
121.10120	24.7
123.08069	2.2
123.11684	7.5
129.07037	1.5
130.51930	1.0
131.08549	11.3
133.10112	31.8
135.08052	6.2
135.11667	52.4
137.09546	2.5
137.13203	2.3
139.07529	1.3
143.08510	1.9
144.09241	1.6
145.10097	19.2
147.10481	1.7
147.11655	27.8
149.09590	2.7
149.13245	16.4
151.11111	1.6
153.09071	2.4
157.10092	3.5
158.10884	1.8
159.11674	41.0
161.11966	1.9
161.13228	27.5
163.11099	4.5
163.14810	7.3
165.12740	2.2
169.10260	1.4
171.11653	2.8
172.12444	1.1
173.09569	1.0
173.13213	24.2
174.13908	1.1
175.14789	10.7
177.12726	22.6
177.16312	7.6
179.14290	6.1
181.12177	2.9
185.13222	1.3
187.14799	17.0
189.12747	2.7
189.16351	50.7
190.16814	1.1
191.14291	9.6
191.17969	1.2
193.12219	2.2
193.15785	1.3
195.11957	1.5
195.13785	24.8
199.14774	3.5
201.16342	67.2
202.16731	1.8
203.17937	19.0
205.15836	6.1
207.13715	6.2
207.17357	5.3
209.15352	9.0
213.16345	2.2
215.17911	14.3
217.15807	2.7
219.13802	1.6
219.17380	17.2
221.15414	2.3
221.18935	1.5
225.16315	1.1
233.18958	6.2
235.16869	7.2
237.18497	2.2
243.17403	1.4
251.20044	11.7
261.18338	1.8
265.12344	1.2
361.28821	4.1
379.29892	12.3
397.30960	100.0
398.31168	3.8
415.32047	35.7
416.32242	1.6
433.33197	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	433.3307
Annotation	3beta,5beta-Ketotriol
Peak:m/z	Relative Intensity
53.03919	1.3
55.01872	1.3
55.05491	6.6
55.18286	1.0
57.03414	1.3
57.07056	2.2
66.09454	1.0
67.05489	11.6
69.07056	12.5
69.54055	4.3
69.54488	4.4
71.04977	2.4
72.32525	1.0
79.05478	9.4
81.07043	26.3
83.04968	1.3
83.08602	5.8
85.06516	2.7
91.05463	9.6
93.07028	28.0
95.04932	3.1
95.08590	42.6
97.06500	2.4
97.10165	2.0
98.20743	2.3
99.04471	2.7
101.06019	1.2
105.07012	21.8
107.07849	2.4
107.08576	47.0
108.08852	1.5
109.06505	2.6
109.09438	2.0
109.10141	23.8
111.08052	3.2
117.06997	3.9
119.08560	45.2
121.06451	1.7
121.10120	31.7
122.10432	1.6
123.08064	3.0
123.11697	11.2
125.06015	1.5
125.09644	2.5
131.08571	7.0
133.10107	37.7
135.08002	2.1
135.11676	32.9
137.09557	3.0
137.13251	3.6
143.08556	2.0
145.10097	17.9
147.08018	2.2
147.11667	34.8
148.11931	1.2
149.09613	2.6
149.13237	12.7
151.07547	1.8
151.11124	9.9
153.09097	2.6
157.10098	6.3
159.11670	23.6
161.09628	5.8
161.13243	16.3
163.11168	3.4
163.14804	9.2
165.09108	2.5
165.12715	4.1
167.10631	3.9
169.12228	3.8
171.11652	4.9
173.13229	13.3
175.11159	2.3
175.14809	8.9
177.12721	5.8
177.16365	5.9
179.10614	1.9
179.14279	4.6
181.12201	2.2
183.11674	2.1
185.13264	3.6
187.14803	15.0
189.09100	2.7
189.12752	2.7
189.16354	66.1
190.16702	2.2
191.14278	3.3
191.17880	3.9
193.12189	3.7
193.15761	1.7
195.13753	5.9
197.13292	2.8
199.14764	3.7
201.16345	16.8
203.18021	6.0
207.10118	4.0
207.13989	6.8
207.17390	47.8
209.13469	1.4
209.15346	4.8
211.14932	1.2
213.16307	3.4
213.89050	1.1
215.14418	1.4
215.17920	23.0
217.15883	1.3
219.17395	1.7
221.15366	8.8
229.19484	16.7
231.17484	2.4
233.15355	2.2
233.18961	8.3
235.14906	1.1
235.16862	5.6
243.17567	1.9
243.21089	3.0
247.16937	2.2
247.20544	4.8
249.18451	8.1
261.18451	2.0
275.20175	2.7
301.21606	2.6
335.93906	1.3
341.24588	2.3
355.26508	1.5
361.28833	1.4
379.29944	4.5
397.30969	100.0
398.31238	2.5
415.32224	27.3
433.33408	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	433.3096
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
51.04199	0.7
53.03924	0.7
55.05499	4.2
57.03386	0.7
57.07069	0.7
59.87536	0.6
61.65907	0.5
67.05496	5.1
69.07059	16.5
69.44538	5.1
69.44964	1.1
79.05486	3.2
81.07040	8.6
83.08598	2.8
85.06542	3.2
91.04967	0.7
91.05441	3.5
93.07019	7.1
95.04951	1.7
95.08596	9.3
97.06487	0.7
97.10162	0.7
98.78533	0.6
99.04474	0.7
99.08077	0.9
105.07014	13.9
107.04959	0.8
107.08572	9.6
108.08871	0.6
109.06499	1.3
109.10141	6.6
111.08055	1.1
117.06985	1.7
119.08561	13.6
121.10123	7.7
123.08020	1.4
123.11697	1.9
125.06001	0.7
125.09610	1.4
129.06963	1.3
131.08554	7.4
133.10104	9.8
135.08040	1.2
135.11671	4.8
137.09593	1.0
137.13179	1.0
138.66084	0.7
141.06906	0.7
142.07751	1.0
143.08556	4.4
144.09320	0.7
144.74219	0.6
145.10097	8.0
147.11659	6.1
149.05962	1.6
149.09526	1.1
149.13246	2.2
151.11104	0.9
153.09106	1.1
155.08543	1.9
156.09341	1.6
157.10103	7.8
158.10858	1.0
159.11650	7.8
161.09569	0.7
161.13203	4.3
163.07504	1.0
163.14819	1.4
165.12726	0.7
167.08510	1.0
169.10086	3.9
171.11650	5.4
173.13213	10.4
175.14793	9.4
177.09061	0.8
177.12753	0.8
177.16351	0.7
179.10748	0.8
181.10123	2.3
181.12173	0.8
182.10803	0.7
183.11646	4.4
185.13162	3.2
187.14803	5.5
189.16333	7.6
191.10703	0.9
191.14212	0.9
193.10075	2.1
193.15863	0.8
195.11719	3.3
195.13435	0.6
196.12376	1.1
197.13264	4.0
199.14784	5.0
201.12669	0.8
201.16383	2.7
203.10655	0.7
203.18027	1.0
205.10245	0.8
206.10893	1.2
207.11693	3.3
207.13449	0.7
209.13213	3.7
210.13831	0.7
211.14752	3.6
212.15788	0.6
213.16399	7.6
215.17891	1.4
219.11697	2.3
219.13586	0.7
220.12379	1.1
221.13338	3.3
222.14120	1.0
223.14835	2.9
225.16362	2.0
227.17914	1.6
233.13199	2.7
235.14790	2.9
236.15546	0.9
237.16348	1.9
239.17870	1.1
245.15343	1.0
246.14116	0.8
247.14777	3.0
248.15387	1.1
249.16380	3.5
251.17889	1.6
259.14804	1.3
260.15527	0.9
261.16290	3.4
262.17139	0.9
263.17853	3.3
265.19464	1.6
267.13861	0.8
273.16388	1.1
275.17957	4.5
276.18430	1.0
277.19330	3.2
279.21002	1.2
281.22781	0.9
289.19443	2.1
291.20984	2.5
293.15317	1.7
295.16879	0.9
301.19379	1.4
302.20267	0.9
303.21014	3.7
304.21695	1.7
305.22571	1.5
307.17114	1.2
309.18549	1.2
316.39020	0.6
317.22449	4.2
318.23511	0.7
319.24124	12.5
323.20114	2.4
329.22519	1.0
331.24200	9.5
332.25021	1.6
333.18399	0.7
333.25620	1.0
335.20004	0.6
337.21613	1.2
341.21085	1.1
341.24841	0.9
345.25604	4.2
349.21613	5.0
351.23062	1.2
363.23068	6.1
364.23996	6.1
365.24619	2.9
369.27557	0.8
372.27994	0.9
373.29111	0.9
375.23044	1.5
377.24680	17.7
387.30417	10.0
388.30966	0.9
390.25519	2.8
391.26004	0.8
397.31155	1.2
404.42471	0.7
415.27997	0.9
415.31808	2.2
433.30933	100.0
434.31235	5.2
435.54694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.1
55.05503	29.4
57.07064	6.2
58.94633	1.5
59.04707	3.0
59.04993	60.1
65.03924	1.9
67.05487	13.3
69.03402	2.7
69.07059	18.6
69.57616	1.7
71.55054	3.6
75.04462	1.9
79.05470	12.8
81.07050	22.2
83.04950	4.7
83.08590	9.6
85.06531	100.0
91.05464	27.3
93.07031	29.5
95.04933	8.0
95.08592	25.5
97.06490	5.0
97.10135	4.7
99.08030	4.1
101.05983	2.5
104.09703	1.9
105.07012	28.2
107.08576	22.5
109.06500	12.1
109.10155	18.2
111.08060	12.3
111.11703	2.1
115.05431	2.4
117.07024	13.0
119.08563	57.1
121.06483	6.0
121.10130	26.3
122.07231	2.3
123.08051	8.3
123.11682	3.2
125.05938	1.9
125.09616	26.3
128.06210	4.2
129.06992	8.3
130.07799	2.2
131.08546	19.8
133.10114	20.3
135.08020	5.9
135.11636	9.0
137.05966	3.8
137.09598	22.4
141.06877	3.2
142.07739	8.6
143.08557	13.4
144.09390	3.6
145.10101	24.6
147.08069	5.0
147.11699	9.2
149.09579	8.3
151.07520	2.2
151.11142	28.9
153.05449	37.9
155.08511	5.4
156.09344	8.2
157.10106	22.9
159.11650	12.5
161.09586	4.5
161.13237	3.2
163.11127	6.3
165.06958	3.4
167.08517	5.9
168.09299	2.1
169.08691	2.2
169.10110	12.2
170.10838	4.1
171.11661	17.3
172.12248	2.4
173.13226	6.7
175.11131	6.0
175.14786	3.0
177.09142	3.0
177.12720	2.2
179.07047	2.6
179.08488	4.4
181.10043	4.4
182.10909	3.9
183.11670	13.2
185.13269	10.1
187.11115	3.7
187.14743	3.9
189.12692	5.2
191.06999	3.1
193.08536	5.2
193.10170	4.0
194.10890	3.5
195.11653	8.3
196.12497	2.2
197.13229	7.8
199.11018	2.7
201.12773	3.1
203.14311	8.7
206.10934	2.6
207.11673	6.7
209.13228	10.0
211.14792	4.8
211.19893	1.9
212.79477	1.7
215.14285	4.1
217.15883	2.7
219.11736	2.4
220.12552	2.6
221.13248	6.9
221.15221	2.2
223.14796	8.0
225.16394	4.0
233.13329	2.6
235.14713	7.0
235.16884	4.4
235.49951	1.8
241.15999	2.5
249.16301	2.3
251.17932	3.0
259.14755	1.9
261.16324	3.1
263.18066	2.5
265.19528	2.8
269.18903	2.2
291.20892	2.1
295.20508	2.2
354.25458	2.0
361.24915	1.9
383.26926	2.1
401.28430	2.2
415.31735	4.4
433.31180	7.5
433.36700	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01868	3.1
55.05506	12.7
57.03433	1.4
57.07059	3.6
59.04982	2.2
59.40900	0.9
67.05499	12.6
69.03424	2.3
69.07061	12.1
70.05768	4.8
71.04980	2.7
73.02866	1.2
78.41249	0.8
79.05480	9.8
81.03398	1.9
81.07047	25.4
83.04951	4.9
83.08613	3.4
83.14566	0.9
85.02886	1.3
85.06529	4.5
91.05464	10.4
93.07030	31.1
95.04969	3.2
95.08595	33.8
97.02888	1.3
97.06502	6.0
97.10161	1.9
98.20832	1.7
99.04445	2.6
99.08080	1.4
101.06011	10.8
105.07014	14.4
107.04955	1.1
107.08578	45.7
109.02891	1.3
109.06505	5.3
109.10136	17.6
111.08060	4.0
115.07561	2.3
117.07001	2.9
119.08566	21.2
121.06506	6.4
121.10131	19.8
123.04481	1.1
123.08056	3.9
123.11694	7.2
125.05928	0.9
125.09625	5.4
127.03936	1.1
127.07523	1.1
127.56053	1.1
129.05505	1.7
129.06984	1.8
131.08556	7.8
133.06599	0.9
133.10110	24.2
134.10426	1.3
135.08060	6.1
135.11673	83.0
136.12041	2.0
137.05939	3.7
137.09627	3.1
137.13199	4.3
139.07512	4.5
141.06973	1.7
142.07782	1.2
143.08554	4.1
145.10103	11.9
147.08090	0.9
147.11693	9.8
148.08340	0.9
149.09595	3.4
149.13243	9.8
151.11143	2.6
153.09084	1.6
157.10101	5.5
159.11676	16.6
161.09589	2.7
161.13240	6.4
163.11195	2.4
163.14783	2.6
165.09100	1.3
165.12752	1.9
167.10684	1.9
169.10190	1.7
171.11632	5.8
173.09584	1.3
173.13243	9.0
175.11186	3.2
175.14818	7.6
177.09181	2.5
177.12721	34.8
177.14230	2.0
179.10626	1.3
183.11705	1.8
185.13251	3.9
187.14810	6.3
189.12755	1.8
189.16321	3.6
191.10683	2.6
191.14372	2.3
193.12170	2.7
195.13780	100.0
196.14165	2.1
197.11693	3.6
197.13200	2.2
199.11201	1.3
199.14778	3.5
201.16354	5.3
207.13829	2.0
209.13361	1.1
209.15326	1.1
211.13162	1.6
211.14969	2.0
213.16391	2.5
215.14330	1.4
217.16064	1.2
221.15289	1.2
225.16135	1.5
227.17915	1.0
229.15817	1.4
229.19395	4.6
233.15324	1.7
235.16972	1.3
239.18013	1.3
245.15387	1.1
247.16937	8.4
253.14116	1.2
265.17923	24.6
313.21704	1.0
340.07147	1.0
341.20984	2.6
341.24722	1.3
351.26779	1.6
369.27853	3.6
379.26294	2.8
387.28986	7.0
397.27145	4.4
405.29944	96.0
406.30310	4.5
415.28427	4.5
433.29749	28.7
434.30307	1.6
451.31821	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
54.72895	1.7
55.01863	5.7
55.05500	18.8
57.03412	1.9
57.07051	3.3
59.04995	4.4
65.03913	1.9
67.05500	21.5
69.03419	4.9
69.07051	22.8
71.04979	6.3
71.08618	2.5
76.99220	1.4
79.05481	19.6
79.74197	1.8
81.03421	4.4
81.07045	39.1
83.04967	12.3
83.08611	7.0
85.02897	1.7
85.06528	8.8
91.05469	25.6
93.07028	43.6
93.07612	2.6
95.04957	8.7
95.08589	46.3
95.09152	3.1
97.02911	1.9
97.06506	8.9
97.10148	3.5
99.04427	20.5
99.08058	3.6
101.06004	7.0
105.07011	47.4
107.04952	5.9
107.08575	81.0
108.08919	3.6
109.02852	2.6
109.06487	10.4
109.10136	23.8
111.04473	1.7
111.08048	5.8
113.05972	1.6
117.06984	9.6
119.04863	2.3
119.06097	1.8
119.08559	60.3
120.08901	2.3
121.06478	10.9
121.10120	35.1
123.08058	6.5
123.11702	8.4
123.65047	1.8
125.06012	2.5
125.09613	7.8
127.03908	3.5
127.07556	2.8
129.06985	7.2
130.07759	1.8
131.08548	15.3
133.06473	3.1
133.09097	4.2
133.10104	79.6
135.08043	13.4
135.11661	69.0
136.11987	2.8
137.05983	6.1
137.09579	4.9
137.13268	3.3
139.07501	3.6
141.07011	3.0
142.07762	4.9
143.08542	9.6
144.09283	2.3
145.06393	2.1
145.10097	25.2
147.07999	5.8
147.11656	70.1
147.79172	1.7
148.11945	2.9
149.09555	7.9
149.13234	12.8
151.07542	7.4
151.11186	6.7
153.09138	4.0
153.12708	1.7
155.08559	4.0
156.09331	3.2
157.10115	16.7
159.08038	4.5
159.11662	25.1
160.08807	5.1
161.09605	13.8
161.13228	20.0
163.07687	1.9
163.11115	14.5
163.14827	2.7
165.09114	3.6
165.12750	3.3
167.07056	2.9
167.10643	2.5
169.10110	2.8
171.11661	18.4
173.09665	4.7
173.13235	15.5
175.11154	59.3
175.14764	18.9
176.11620	2.0
177.09094	1.7
177.12735	31.4
177.16272	3.1
178.13068	1.9
179.10672	4.6
179.14328	2.0
181.04971	2.7
181.12216	6.1
183.11697	4.6
185.09682	1.7
185.13228	10.4
187.11163	3.6
187.14813	9.7
189.11058	2.8
189.12723	40.8
189.16388	5.6
190.13013	2.5
191.10672	2.6
191.14250	7.8
193.12186	21.7
193.15851	3.5
195.11922	3.4
195.13779	51.0
197.11609	3.9
197.13292	4.1
199.14812	8.1
201.12741	2.8
201.16380	4.4
203.14284	21.7
205.12044	4.0
205.15886	3.8
207.13753	54.0
207.15717	3.5
209.13394	2.2
209.15376	3.7
211.14882	2.8
213.16364	4.2
215.14243	8.4
217.12285	4.6
217.15828	11.1
221.15359	11.5
223.16882	2.1
225.16461	2.0
227.17943	3.3
231.17487	2.0
233.15346	4.8
235.13210	3.0
235.16882	5.3
239.16370	7.1
241.15738	2.3
243.17334	3.4
245.19016	3.6
253.14253	4.2
316.77075	1.9
341.21057	4.1
341.24716	1.9
351.26865	3.8
359.22137	2.2
361.25134	6.9
369.27774	6.8
379.26221	31.8
380.26602	1.8
387.29065	3.7
397.27274	46.4
397.31924	2.3
398.27582	4.0
415.28308	100.0
416.28839	6.8
433.29718	37.6
434.29755	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
53.46148	0.9
55.01857	8.6
55.05261	1.6
55.05506	28.1
57.03434	8.2
57.91612	1.0
59.04979	1.0
63.34956	1.0
65.03935	0.9
67.05495	33.1
69.03422	7.1
69.07060	11.5
70.68233	2.7
71.04966	3.8
75.87759	1.1
79.05486	40.0
79.05949	2.1
81.03401	7.6
81.07050	35.9
83.04971	6.6
83.08613	15.1
85.02890	2.5
85.06522	3.0
85.67216	1.0
91.05467	31.4
93.07027	32.2
95.04959	30.6
95.08596	20.0
97.02861	2.3
97.06525	6.1
97.10162	20.3
98.15687	1.0
99.04446	1.8
99.08083	2.1
103.05453	3.6
105.03342	1.6
105.07018	28.3
107.04941	11.9
107.08590	20.8
109.02800	1.6
109.06503	7.5
109.10162	9.5
111.08068	4.4
115.05434	3.9
117.07012	14.2
119.04913	3.2
119.08571	15.5
121.06488	19.4
121.10130	18.6
123.04388	1.9
123.08055	6.0
123.11692	3.6
125.05967	1.4
125.09616	15.8
127.03857	2.2
128.06201	5.3
129.05463	2.0
129.06992	19.2
130.07811	1.6
131.04893	10.5
131.08548	25.2
132.05685	1.0
133.06483	7.7
133.10130	7.8
135.04378	1.6
135.08025	9.5
135.11673	3.7
137.05934	4.9
137.09572	3.1
141.06958	8.6
142.07733	1.6
143.08556	14.2
145.06448	18.8
145.10114	12.2
147.04398	1.5
147.08031	8.8
147.11638	7.7
149.09589	24.1
151.07533	1.2
151.11180	2.1
153.06943	1.0
153.09114	2.1
154.07762	2.3
155.08571	8.3
156.09320	1.1
157.06483	2.6
157.08820	1.4
157.10097	7.8
159.08022	7.3
159.11662	9.6
161.05946	1.5
161.09572	5.1
161.13242	4.2
163.07544	1.1
163.11194	4.3
163.23439	1.0
165.06903	1.4
165.09062	1.4
165.12700	1.4
166.07770	1.1
167.07057	1.6
167.08530	2.7
168.09216	1.1
169.10092	9.9
171.08044	4.7
171.10233	1.7
171.11647	19.3
171.13100	1.5
173.09605	7.5
173.13199	2.8
175.11157	4.0
177.09041	3.7
177.12791	2.9
179.08513	2.7
181.04921	2.1
181.10112	4.4
183.08118	2.5
183.11635	3.1
184.08751	1.1
185.09584	4.6
185.13228	5.2
187.11172	7.0
189.09097	3.4
189.11151	9.6
189.12732	14.1
191.10617	1.3
193.10135	3.0
193.12204	3.8
195.11694	3.1
197.09575	4.1
197.13223	3.3
199.11153	5.0
199.14833	1.3
201.12708	4.3
203.10623	2.7
203.14372	1.9
205.12163	6.1
207.11784	2.3
207.13895	2.3
209.13350	2.2
211.11156	7.6
211.13078	1.9
212.11893	1.3
213.12721	3.1
215.10646	3.7
215.14362	1.4
217.12181	4.2
223.13164	6.5
225.12718	4.7
227.12566	4.8
227.14594	1.5
229.12225	5.0
231.13733	3.1
235.13266	4.5
239.14325	2.6
243.13849	4.9
249.14740	1.6
253.14244	3.6
257.15356	3.9
261.14780	1.7
267.15924	3.2
273.14786	3.2
277.19424	1.2
289.17859	1.2
295.20444	2.5
297.16882	1.5
305.18823	3.0
313.21552	5.8
321.16989	2.1
323.20035	20.2
331.22635	2.0
335.18634	1.8
341.21078	96.3
342.21390	3.7
359.22101	7.5
376.32672	1.3
377.22760	1.7
379.22495	1.1
389.34814	1.1
397.23730	3.2
415.24643	43.5
416.24954	2.9
433.25742	100.0
434.26151	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	433.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40890	0.8
51.74041	0.7
53.03917	3.0
55.01860	8.7
55.05502	25.5
57.03423	7.9
57.07067	1.0
64.60880	0.8
65.03912	3.1
66.44444	0.8
67.05493	29.6
69.03416	6.7
69.07055	13.0
71.04961	3.4
71.62681	0.8
71.63018	1.0
79.05477	36.1
81.03403	9.0
81.07040	30.8
83.04964	7.1
83.08606	12.7
85.02869	3.0
85.06502	3.4
91.05463	30.6
93.07024	29.8
95.04953	25.8
95.08588	19.6
97.02869	1.6
97.06510	6.1
97.10159	16.7
99.04432	1.6
99.08051	2.8
103.05439	2.2
105.07009	26.7
107.04939	12.5
107.07845	1.6
107.08575	23.8
109.02834	3.1
109.06503	6.8
109.10131	10.6
111.04415	1.7
111.08050	4.4
113.05975	1.4
115.05421	3.8
117.07005	13.7
119.04932	3.0
119.08568	17.8
121.06478	17.0
121.10121	15.2
123.04415	2.6
123.08039	7.8
123.11662	3.3
125.05952	2.2
125.09612	16.2
126.10020	0.9
127.03873	2.2
127.07504	1.2
128.06178	4.8
129.05452	2.2
129.06978	17.7
131.04898	8.1
131.08551	23.9
133.06462	7.5
133.10110	11.4
135.04382	2.7
135.08041	9.8
135.11652	4.5
137.05943	3.5
137.09592	2.5
139.07495	2.3
141.06967	7.7
142.07704	2.4
143.06982	1.1
143.07368	0.9
143.08543	11.3
145.06458	17.3
145.10101	13.0
147.08020	8.8
147.11670	8.6
149.05975	1.8
149.09587	18.3
149.13196	1.6
151.07498	2.2
151.11133	2.7
153.06953	1.8
153.09071	1.7
153.12711	0.9
154.07738	2.5
155.08534	8.1
156.09288	1.2
157.06450	3.5
157.10126	7.0
158.07141	1.0
159.08023	7.3
159.11649	9.3
160.08850	1.0
161.05939	2.0
161.09586	5.1
161.13225	3.6
163.07489	1.0
163.11174	5.4
165.06975	1.7
165.09041	1.2
165.12650	1.9
167.07146	1.7
167.08565	3.2
167.10593	1.6
169.06439	1.0
169.10092	11.1
169.12195	1.1
171.08043	4.3
171.11655	17.2
173.09579	7.1
173.11839	1.1
173.13234	2.7
175.11154	5.5
175.14790	2.1
177.09102	2.1
177.12672	3.6
179.08540	1.9
179.14316	1.0
181.04930	2.9
181.10066	2.9
182.07439	1.0
183.07976	2.1
183.11667	5.4
185.09625	5.0
185.11162	0.8
185.11673	0.9
185.13216	3.4
187.11145	8.9
187.14703	1.5
189.09132	2.7
189.11165	8.9
189.12714	13.0
189.16446	1.1
191.10558	1.4
191.14244	1.1
193.10249	1.8
193.12212	3.9
195.11610	2.8
195.13597	1.4
197.09529	3.3
197.13211	2.5
199.11165	5.1
199.14825	1.2
201.12688	2.9
203.10611	2.5
203.14209	2.0
205.12228	5.0
207.11806	0.9
207.13710	2.0
209.13148	1.2
211.11108	6.2
211.13181	2.6
211.14890	1.8
212.11882	1.0
213.12685	2.9
215.10640	3.0
215.14334	1.9
217.12173	5.4
219.13791	1.0
221.13257	1.5
223.13158	5.8
225.12686	2.6
227.12712	3.7
229.12140	3.7
231.13669	1.9
235.13164	5.8
239.14345	1.8
243.13750	3.2
244.22301	0.9
245.15535	1.0
247.13210	1.2
249.14819	2.1
253.13960	3.6
257.15326	3.1
261.14865	1.8
267.15808	3.0
273.14713	1.8
275.16238	1.6
295.20508	2.8
299.19928	1.0
305.18777	2.5
313.21524	5.7
321.16898	1.4
323.20010	21.8
331.22897	1.5
335.18430	1.9
341.21045	83.3
342.21280	2.1
359.22171	8.7
363.09308	0.8
377.23062	1.8
379.22421	1.5
397.23596	3.9
403.13922	1.1
415.24597	43.9
416.24979	1.8
433.25714	100.0
434.26080	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	433.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.9
53.03946	9.4
55.01869	9.9
55.05504	30.6
57.03426	27.9
57.07059	3.3
61.02918	67.5
65.03919	7.5
67.05167	3.7
67.05496	45.0
69.03418	43.5
69.06705	3.0
69.07056	33.5
71.01321	4.0
71.04994	19.1
71.62310	3.6
73.02906	28.9
73.06509	3.8
79.05053	3.0
79.05484	42.5
81.02972	2.6
81.03410	37.4
81.07046	99.3
82.62286	1.9
83.01308	1.8
83.04975	17.5
83.08604	17.9
85.02894	83.8
85.06530	14.7
87.04444	4.3
91.03942	34.5
91.05463	34.2
93.06468	3.3
93.07034	57.7
95.04964	22.7
95.08594	100.0
97.02880	69.2
97.06517	39.0
97.10137	6.5
99.04436	24.1
99.08062	8.3
101.02385	10.4
101.06004	2.7
103.03909	6.6
105.07012	55.5
106.07375	2.1
107.04935	16.5
107.08576	32.7
109.02873	23.6
109.06514	20.8
109.10138	16.4
110.03635	2.4
111.04413	5.6
111.08063	18.6
111.11741	2.1
113.05944	3.2
115.03922	5.7
115.05415	4.8
117.05463	3.8
117.06998	8.5
119.04953	2.4
119.08567	46.9
121.06490	41.8
121.10136	17.6
123.04369	7.1
123.08054	9.9
123.11652	11.9
125.05970	10.0
125.09621	7.3
127.03904	39.8
127.07540	7.7
129.05457	6.9
129.06967	4.9
131.04880	2.7
131.08563	11.0
133.06482	9.3
133.10104	35.0
135.04376	4.1
135.08055	9.8
135.11694	11.5
137.05965	10.8
137.09621	3.2
137.13223	7.1
139.03870	7.6
139.07539	18.1
141.05450	1.8
142.07782	3.6
143.07005	6.1
143.08556	6.5
145.04942	10.8
145.06464	4.1
145.08948	1.8
145.10103	12.1
147.07971	6.2
147.11673	35.7
148.11957	3.1
149.05890	2.6
149.09586	4.9
149.13226	6.0
151.07504	3.7
151.11174	5.0
152.04695	2.3
153.09109	2.6
155.07100	2.5
155.08484	3.4
157.08592	9.0
157.10114	12.4
159.06602	3.7
159.08073	3.7
159.11650	6.6
161.05975	11.3
161.09659	2.9
161.11945	4.0
161.13231	55.4
163.11157	3.5
163.14742	2.5
165.09058	4.4
165.12714	19.3
167.07036	21.5
169.09996	2.5
169.12186	12.3
171.06490	6.6
171.11642	11.2
173.09544	2.5
173.13239	3.0
175.11133	24.1
175.14844	2.3
177.12682	3.5
179.14293	45.8
181.04933	79.0
181.10085	4.7
183.06458	8.4
183.07918	2.4
187.05977	9.5
187.11186	2.4
189.12732	17.2
189.16287	2.4
191.14386	2.8
193.08557	11.9
193.10509	3.5
193.12206	25.9
197.15289	3.9
199.11160	16.2
199.14725	2.2
199.64931	2.2
201.07513	5.5
205.06990	9.0
205.08699	2.9
207.06462	3.4
207.13789	8.8
211.13283	22.2
217.12212	47.6
217.15465	2.5
218.12511	3.0
218.15916	2.6
219.17332	2.9
221.07993	15.9
221.09703	1.9
225.14778	2.6
229.14238	5.2
233.08099	5.9
235.13252	52.7
235.16853	4.3
249.07526	6.6
253.14313	44.3
253.17912	16.4
271.15872	2.8
271.19003	83.5
272.19284	2.2
323.20074	2.5
341.20972	6.1
357.13162	2.0
379.17035	2.3
379.21448	2.8
397.18402	5.7
403.13824	43.4
404.14066	3.6
415.13763	3.3
415.24048	6.6
433.14755	5.6
433.24509	28.5
433.30389	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01859	4.6
55.05499	7.5
56.62347	1.6
57.03403	3.7
65.03916	2.6
67.05495	14.3
69.03419	32.4
69.07070	14.0
70.66312	5.0
71.04984	9.9
73.02912	2.7
79.05481	20.2
81.03410	24.4
81.07047	46.1
83.04969	16.5
83.08600	5.1
85.02895	24.4
85.06529	7.6
91.05460	16.0
93.06464	3.2
93.07029	55.9
95.04961	14.9
95.08589	24.6
95.83902	1.7
97.02880	23.8
97.06516	27.6
99.04436	20.6
101.05997	3.0
102.31183	1.8
105.06371	3.7
105.07012	38.1
107.04951	5.4
107.08579	30.7
109.02859	19.0
109.06503	25.8
109.10136	8.5
110.29738	2.0
111.04430	2.3
111.08059	22.6
113.05972	4.8
115.05373	2.2
117.06995	2.8
119.08550	27.6
121.05637	3.9
121.06490	61.6
121.10130	6.4
123.04456	3.6
123.08032	8.0
123.11691	12.0
125.06007	14.2
127.03905	33.9
127.07526	12.8
129.05522	2.0
129.06946	2.7
131.08539	7.0
133.06456	6.3
133.10114	22.0
135.04430	3.5
135.08025	12.1
135.11659	3.5
137.05968	7.4
137.13243	4.4
139.03889	2.1
139.07524	21.5
142.07756	2.6
143.06984	12.6
143.08556	6.0
145.04903	5.7
145.10127	8.8
146.07283	1.9
147.08022	2.9
147.11671	55.8
148.12077	2.4
149.09608	2.9
149.13240	4.8
149.65587	2.1
151.07539	2.7
151.11147	4.8
153.09010	2.3
155.08508	2.2
156.09291	1.8
157.08594	11.7
157.10094	16.3
159.06635	3.0
159.07968	2.2
161.13229	11.2
163.14803	2.3
164.07047	2.8
165.12735	28.5
166.07794	3.1
167.06990	7.5
167.14265	2.6
169.12201	17.7
171.11662	15.2
173.08208	2.2
173.09615	4.8
173.13277	2.4
175.07425	1.9
175.11162	35.0
181.04953	2.3
181.10135	3.9
187.06021	14.6
189.12717	25.0
190.26895	1.8
193.12234	41.9
199.11133	21.3
200.98904	2.0
205.07018	13.4
207.13786	20.2
211.13272	37.2
217.12201	84.3
218.12576	3.1
225.10210	1.8
229.14355	14.1
235.13261	100.0
236.13591	4.0
250.30461	2.0
253.14313	91.0
254.14624	5.0
271.06052	2.5
271.15353	7.2
297.14456	2.2
368.63452	2.0
379.17648	4.7
397.18509	6.1
403.13828	2.9
433.29459	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	433.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.7
53.03932	8.6
55.01862	5.2
55.05500	9.2
57.03415	5.8
59.83282	1.6
61.02914	3.3
67.05494	14.3
69.03070	2.2
69.03418	28.0
69.07056	14.6
69.50396	15.0
71.04977	13.6
71.96821	1.6
79.05482	20.2
81.03405	23.5
81.07046	45.1
83.04964	16.7
83.08585	6.3
85.02892	24.9
85.06535	8.3
90.16068	1.9
91.05461	18.2
93.07027	55.9
95.04968	18.6
95.08594	22.5
97.02877	28.4
97.06512	35.7
98.21586	1.9
99.04443	27.5
101.05982	1.9
103.03937	1.6
105.07014	43.6
107.04923	5.1
107.08576	34.1
109.02866	21.3
109.06505	28.6
109.10135	9.4
111.08063	22.5
113.05969	5.2
117.05471	1.8
117.06965	2.4
119.04935	3.4
119.08554	22.7
121.06487	74.3
121.10119	6.6
123.04388	4.6
123.08051	7.0
123.11681	11.0
125.05977	10.7
125.09576	2.0
127.03897	35.9
127.07538	14.5
128.06229	2.7
129.06964	2.5
131.08499	8.6
133.06461	5.0
133.10086	22.2
135.04364	3.4
135.08052	16.8
135.11682	1.9
136.07501	1.6
137.05959	6.4
137.09593	3.0
137.13194	1.6
139.07513	24.6
141.05432	3.9
142.07710	5.3
143.07033	13.1
143.08530	8.0
145.04915	6.3
145.08624	2.1
145.10075	8.4
147.08040	3.4
147.11664	64.1
149.13225	4.5
151.11142	4.8
153.09073	3.6
155.07021	2.5
157.08575	11.5
157.10083	18.7
159.08020	1.8
159.11627	2.4
161.09564	2.8
161.13222	9.0
165.12721	27.4
169.12207	18.4
171.11629	14.8
173.09605	3.4
175.09738	3.1
175.11166	40.7
177.12773	1.9
181.10039	5.1
187.05972	19.5
189.12700	24.5
193.12215	40.3
199.11186	26.1
205.07005	14.1
207.13756	18.0
211.13254	39.7
211.15239	2.9
217.12210	90.7
218.12589	3.2
229.14339	13.6
235.13252	100.0
236.13596	3.2
253.14316	88.2
254.14554	3.9
271.06018	14.9
271.15338	6.6
283.08755	2.1
283.11771	1.6
289.16394	2.8
337.16483	1.6
361.16370	2.5
379.17444	4.4
397.18481	8.0
421.41202	1.9
433.19730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01862	4.4
55.05504	5.8
57.03424	3.3
61.02912	2.4
65.03931	1.7
67.05493	9.1
69.03416	24.2
69.07051	13.2
69.38438	3.4
69.38847	13.0
71.01327	1.6
71.04990	9.8
73.06532	1.9
74.96735	1.6
79.05473	17.0
81.03402	18.7
81.07038	38.0
82.07420	1.5
83.04965	16.2
83.08604	5.1
85.02894	19.8
85.06521	5.2
91.05474	16.4
93.07024	49.2
95.04942	14.3
95.08596	19.1
97.02870	25.1
97.06511	25.7
99.04434	18.8
105.07014	33.6
107.04932	3.9
107.08580	22.6
109.02872	17.4
109.06502	23.8
109.10117	7.6
111.04420	1.6
111.08070	18.6
113.06003	2.8
115.03800	1.4
115.07557	1.8
117.06996	2.3
119.04954	3.1
119.08563	19.6
121.06483	49.0
121.07359	2.5
121.10137	6.0
123.04429	2.1
123.08057	5.1
123.11672	8.0
125.05936	8.1
127.03899	29.7
127.07539	7.6
129.06975	2.4
131.08545	5.2
133.06487	3.5
133.10115	16.0
135.04340	2.2
135.08035	15.0
137.05965	5.1
137.09605	3.0
139.07526	21.2
139.18268	1.3
141.05406	2.3
142.07721	1.8
143.06042	1.5
143.07005	9.7
143.08513	7.1
143.47832	1.5
144.52110	1.6
145.04993	3.5
145.10129	4.4
147.08032	3.4
147.11665	45.9
148.12021	2.0
149.13239	3.8
151.11166	6.6
156.09369	2.2
157.08609	11.6
157.10107	15.3
159.06511	2.4
161.13219	8.7
165.12743	16.9
167.07018	1.9
169.12213	15.4
171.11656	13.2
173.08131	2.0
173.09628	4.1
173.13249	2.6
175.11168	35.7
181.04866	1.7
181.10094	3.6
184.08846	2.1
187.05992	16.6
189.12721	18.9
193.12207	36.2
199.11189	17.1
205.07014	14.5
207.13808	18.5
211.13246	40.6
217.12196	80.7
218.12541	4.9
229.14322	9.4
235.13260	100.0
236.13591	4.3
253.14304	77.8
254.14691	5.2
271.15298	7.0
274.12524	1.7
275.75073	1.6
361.16357	3.5
379.17456	3.8
397.18491	9.1
456.69113	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01866	5.2
55.05505	5.1
57.03424	3.4
59.05012	1.8
61.02912	3.3
67.05496	8.3
69.03420	24.9
69.07060	12.9
70.77684	5.0
71.01350	1.9
71.04976	9.9
73.02906	1.5
79.05486	16.6
81.03415	21.8
81.07049	40.6
83.04971	15.8
83.08617	4.3
85.02890	24.6
85.06536	4.3
86.09705	6.5
87.04495	1.5
91.05473	13.7
93.07031	45.5
95.04955	13.5
95.08590	17.6
97.02886	24.1
97.06519	27.3
99.04442	22.8
101.06002	2.0
105.07024	32.2
107.04940	3.4
107.08579	30.3
109.02865	20.0
109.06503	23.0
109.10127	8.2
111.04424	1.9
111.08065	22.0
113.05991	5.4
115.05475	1.7
115.07578	2.6
117.07021	2.4
119.04928	1.4
119.08557	16.4
121.06485	51.7
121.10146	5.2
123.04443	3.0
123.08070	4.6
123.11687	8.0
125.05980	11.2
127.03899	31.2
127.07540	10.5
128.74011	1.5
129.06981	3.0
131.08537	5.8
133.06511	2.6
133.10126	19.6
135.04427	3.3
135.08060	13.1
137.05971	4.5
139.07523	20.3
142.07791	2.8
143.06995	12.4
143.08575	6.3
145.04942	3.4
145.10144	7.8
147.08026	4.5
147.11668	50.3
149.09637	2.2
149.13249	3.3
151.07565	2.4
151.11194	6.1
153.09062	2.0
155.08481	1.7
156.09335	1.8
157.08600	8.6
157.10110	13.3
159.06532	2.1
159.08087	2.3
161.05968	2.0
161.13254	8.9
163.14789	2.0
165.09074	1.6
165.12726	27.0
166.07788	1.6
167.07022	2.0
169.12251	16.6
171.11661	13.4
173.09581	3.1
175.11165	34.7
181.10150	3.1
183.31833	1.6
187.05978	19.9
189.12701	20.9
191.14388	2.5
193.12242	34.0
199.11165	20.3
205.07024	13.7
207.13753	15.2
211.13274	37.7
212.13565	1.9
217.12216	76.8
218.12494	2.4
229.14391	13.4
235.13251	100.0
236.13657	3.6
253.14328	83.1
254.14732	3.0
271.05960	8.2
271.15564	8.0
301.11990	1.8
307.13101	2.5
336.06577	1.5
379.17532	3.6
397.18588	8.3
433.16333	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	433.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92335	0.4
53.03936	1.2
55.01849	0.6
57.03410	1.5
60.04503	0.5
61.02909	0.6
65.03932	1.5
67.05479	1.7
69.03416	3.0
69.07070	2.3
69.27071	1.4
69.27490	3.7
69.81999	0.4
71.04971	1.1
73.02917	0.7
73.39725	0.4
74.83963	0.4
79.05479	6.9
81.03402	4.9
83.05005	0.6
85.02891	5.9
93.06989	0.5
95.04953	7.2
97.02884	4.8
97.06516	3.8
99.04443	1.3
107.04998	0.5
109.02840	2.6
111.04455	1.8
115.05508	0.4
115.07552	2.2
121.02853	100.0
122.03182	1.2
123.04394	0.7
127.03912	2.2
127.41058	0.4
131.04985	0.4
131.06976	0.7
133.06548	0.6
133.08556	3.9
136.21497	0.4
137.05998	0.5
138.09145	0.5
139.03891	17.3
145.04948	1.7
149.05934	0.4
149.09671	0.5
151.09641	5.8
153.01845	1.3
155.23637	0.4
167.06955	0.6
179.06984	0.4
181.05045	0.6
196.11534	0.4
205.39960	0.4
247.06038	1.0
265.07080	5.8
283.08096	17.3
284.08444	1.0
330.54828	0.5
386.65173	0.5
433.16422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
55.01858	4.7
55.05503	6.7
57.03416	4.8
57.07093	1.4
61.84174	1.5
63.80034	1.6
64.39212	1.3
65.03910	1.8
65.12441	1.3
67.05506	10.6
69.03072	2.2
69.03423	29.3
69.07058	16.6
69.50407	14.0
71.04990	10.8
79.05481	20.9
81.03408	21.4
81.07042	36.2
83.04964	16.3
83.08614	2.6
85.02899	20.2
85.06532	6.2
90.82647	1.5
91.05460	16.2
93.06458	3.1
93.07033	47.8
95.04948	13.6
95.08600	17.5
97.02267	2.3
97.02888	32.9
97.06519	28.5
99.04446	20.3
101.06002	2.1
105.06366	3.0
105.07022	33.4
107.04947	3.9
107.08573	27.2
109.02189	2.9
109.02864	24.6
109.06498	22.5
109.10135	6.6
111.04402	1.7
111.08072	20.4
113.06021	4.3
115.07568	2.6
117.06997	1.6
119.04898	2.3
119.08556	19.1
121.06487	54.9
121.10117	6.2
123.04439	2.5
123.08035	7.9
123.11688	8.3
125.05959	10.3
127.03903	34.7
127.07533	11.2
129.06975	3.5
131.04868	1.8
131.08546	5.1
133.06482	3.2
133.10112	16.8
135.04407	2.3
135.08040	13.9
137.05957	4.3
137.13216	1.6
138.09094	1.6
139.07515	19.8
142.07788	3.3
143.07039	11.4
143.08502	7.5
145.04942	6.6
145.06493	1.5
145.10127	6.7
147.07993	3.7
147.11671	49.6
149.09601	1.7
149.13225	4.4
151.07520	1.9
151.11177	6.3
153.09114	4.2
157.08606	10.3
157.10117	15.6
161.05940	2.2
161.09607	1.6
161.13234	7.3
164.06984	3.3
165.12726	24.7
169.12221	15.0
171.11649	14.3
173.09625	3.6
175.11142	33.2
181.10114	2.4
181.36472	1.8
183.13760	1.7
187.06006	20.4
189.12735	19.3
191.08209	2.6
191.14207	1.9
193.12196	38.1
199.11174	18.8
205.07045	19.6
207.13797	16.8
209.15375	2.4
211.13255	40.7
211.15242	2.7
217.12213	78.4
218.12556	2.1
225.14854	2.5
229.14287	13.3
235.13264	100.0
236.13686	2.6
253.11665	4.1
253.14313	79.1
254.14740	3.5
271.15359	8.8
289.16306	2.0
307.12671	1.7
361.16473	1.7
379.17233	4.6
397.18677	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	433.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.5
56.96550	9.0
57.03426	7.6
61.02918	8.3
69.03418	27.5
70.06567	5.4
70.37325	12.2
71.04973	4.5
72.08154	4.3
73.02922	8.2
74.29401	3.8
79.01854	4.8
80.04996	9.6
81.03413	20.9
84.04491	7.0
84.08118	14.6
85.02897	59.1
87.04460	6.5
88.44548	3.6
91.05480	11.5
96.04526	5.9
97.02879	31.0
98.97572	14.7
108.04490	6.4
109.02886	14.2
109.05231	11.6
110.06012	15.7
110.74528	3.3
112.07589	5.1
116.98619	12.0
117.05756	3.9
118.06528	5.2
119.01880	8.4
119.04935	6.0
120.04459	6.9
121.02888	6.7
122.05997	7.5
124.03963	8.8
125.02291	6.6
126.05499	8.1
127.03878	16.4
127.12313	5.7
128.03412	5.2
130.06502	9.7
131.01846	4.4
134.05977	19.8
135.05521	6.6
136.03934	5.2
137.05969	10.8
138.05460	7.8
139.03883	5.3
143.01830	4.1
143.03351	6.4
145.03445	4.6
145.05016	9.4
145.07571	9.0
146.05984	55.0
146.08421	7.4
146.99599	4.7
147.04402	15.4
147.06709	5.2
148.03947	8.5
148.06276	6.5
148.07552	8.5
152.06984	4.7
153.01813	100.0
154.02104	7.8
157.07564	7.0
158.06009	5.3
160.06412	4.3
160.07599	11.8
161.07097	20.2
161.08215	3.9
162.05508	46.7
162.21643	3.8
162.99141	3.9
163.08591	7.8
163.21451	3.6
164.07051	6.7
167.07034	8.3
169.03421	5.1
169.07635	3.6
172.06323	5.0
173.02937	5.4
173.07088	26.7
174.05511	29.6
174.07735	5.0
175.08603	9.4
176.07065	9.4
177.00711	7.4
179.05579	5.0
179.06975	7.0
180.06517	4.9
185.07097	12.0
187.04518	4.3
187.08655	8.7
189.06570	8.3
190.04987	7.2
190.07379	8.2
191.08148	27.2
192.05269	10.5
192.08987	4.4
199.08669	4.0
200.07196	5.4
201.06325	4.0
203.04073	4.4
203.08180	21.1
207.07677	14.4
211.07007	7.5
215.08043	8.8
216.06534	10.1
218.04605	4.2
218.06889	11.6
219.01767	7.5
219.07602	28.5
220.08397	5.1
221.05144	5.6
231.07503	5.4
233.09116	6.4
235.06979	22.6
236.07782	23.5
237.02762	8.3
237.08585	21.5
241.99562	4.4
245.05751	27.5
245.55855	4.7
247.07013	13.0
253.08160	34.7
254.05380	4.5
261.08630	10.1
262.09335	5.3
271.09207	67.5
279.09695	8.0
302.98380	3.9
303.01425	16.1
313.10178	15.4
319.12433	7.7
327.01196	7.4
335.10251	5.1
337.09763	5.7
342.07504	4.4
365.13217	6.2
398.13138	6.1
415.13440	16.1
433.07788	10.2
433.14355	37.4
434.15875	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	433.1125
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
52.80107	0.5
53.03927	1.8
55.01861	1.6
55.05496	3.1
57.03429	4.6
57.79519	0.5
61.02885	0.8
65.03931	0.6
67.05495	3.9
68.99776	0.8
69.03423	7.9
69.07057	4.5
70.18013	1.4
71.04984	30.2
73.02909	1.0
75.04458	1.2
79.05492	4.7
81.03410	6.1
81.07048	11.7
83.04971	4.8
83.08606	0.8
85.02895	32.1
85.06523	1.7
87.04457	0.8
91.05468	4.1
91.88511	0.5
93.06469	0.8
93.07030	13.4
95.04952	8.3
95.08593	6.0
96.05273	1.0
97.02880	4.5
97.06525	6.6
99.04458	4.6
101.05939	0.5
105.06379	0.7
105.07021	9.1
107.04916	2.5
107.08585	8.4
109.02876	4.1
109.06496	5.7
109.10144	3.5
111.00761	0.5
111.04420	1.4
111.08058	5.8
117.06959	1.1
119.04910	0.9
119.08575	5.9
120.08942	0.6
121.02838	3.6
121.06483	13.4
121.10130	2.6
122.10452	0.5
123.04442	0.6
123.08039	1.7
123.11644	3.0
125.05937	2.6
125.09679	0.5
127.03900	7.5
127.07538	1.5
129.05473	6.7
129.06982	1.3
131.08598	2.5
133.06467	0.8
133.10129	5.1
135.08055	3.8
135.11681	0.9
136.07597	1.0
137.02280	0.8
137.05945	2.3
137.09602	0.7
137.13235	1.0
139.07523	4.4
142.07787	1.1
143.06978	2.7
143.08543	1.0
145.04942	1.0
145.06425	0.6
145.10101	2.5
147.04312	0.7
147.06500	1.2
147.08034	1.2
147.11658	11.4
149.05983	0.7
149.09566	0.6
149.13249	1.6
150.13565	0.6
151.03934	1.1
151.07550	0.7
151.11160	1.8
153.01799	4.0
153.09190	0.8
156.09300	0.8
157.06499	0.8
157.08577	2.7
157.10085	3.8
158.10466	0.7
159.11647	1.4
160.12030	0.9
161.05930	1.2
161.09532	0.8
161.13246	2.2
163.11076	0.7
164.07016	1.2
165.01808	1.4
165.12720	5.7
167.07014	1.1
169.12224	4.2
171.11639	2.3
173.05898	0.6
173.09579	1.2
173.13254	1.1
175.07518	0.5
175.11159	8.7
176.15106	1.0
177.05447	0.7
181.04962	3.0
181.10046	1.1
183.02820	1.0
183.13840	0.6
184.08810	0.7
185.07088	8.0
187.06006	3.2
189.12712	5.1
190.16679	0.7
193.08591	0.6
193.12215	7.8
199.11139	5.0
199.14801	1.4
200.15152	1.5
205.07013	3.2
207.13771	4.0
209.07964	0.5
211.13258	7.5
213.06718	5.7
217.12236	17.3
217.15854	2.1
218.16197	2.0
219.10341	0.6
221.08047	0.6
226.36964	0.5
228.19884	0.5
229.14378	1.5
231.06410	0.8
235.13257	20.1
235.16956	2.1
236.17204	3.6
241.04973	0.6
253.14323	18.7
258.05246	0.9
271.06113	1.2
271.15308	2.3
287.05466	100.0
288.05771	3.0
339.09888	0.5
350.17023	0.5
379.17374	0.8
397.18420	1.7
403.13733	1.5
418.89966	0.6
433.15945	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.2
55.01861	0.1
55.05507	1.2
55.60883	0.1
57.07062	0.7
67.05492	2.5
69.03404	0.4
69.06714	0.1
69.07056	2.1
70.07387	0.3
71.08604	0.3
74.65694	0.1
77.03903	0.2
79.05480	0.8
81.07045	2.1
82.07368	0.2
83.01317	0.2
83.04951	0.4
83.08129	0.1
83.08603	1.3
84.08930	0.1
85.06530	0.1
85.10146	0.1
90.96053	0.1
91.05470	0.3
93.07023	0.9
94.07819	0.2
95.04912	0.3
95.08593	5.9
96.08916	0.4
97.10152	0.7
98.10453	0.1
98.21112	0.7
105.07018	1.1
107.04932	2.8
107.08590	0.2
108.05718	0.4
109.06509	0.4
109.10139	1.2
111.04430	1.1
111.11684	0.3
117.07001	0.2
119.08538	0.2
121.06490	0.9
121.10123	0.3
122.07269	5.8
123.08052	7.7
123.11683	0.7
124.08818	0.5
124.11932	0.1
130.07713	0.1
131.08553	0.2
135.04411	0.1
135.08032	2.4
135.11691	0.1
136.08354	0.3
137.05946	1.8
137.13214	0.2
138.06755	1.2
139.07535	0.3
143.08557	0.1
145.10109	0.9
147.08063	0.2
149.05978	0.3
149.09587	0.7
150.06740	19.5
151.07516	100.0
152.08127	7.0
158.07253	0.2
159.08028	0.3
160.12082	0.1
161.05975	0.1
161.09515	0.2
162.06705	0.3
163.07530	1.2
163.11156	1.0
164.08304	2.6
164.11537	0.2
165.09081	0.7
167.07022	1.2
168.07368	0.5
169.07422	0.1
173.09595	1.4
174.09987	0.2
175.07501	2.2
176.08257	1.0
177.09081	3.7
178.09393	1.1
179.17842	0.1
187.11154	0.1
189.09090	1.4
189.12769	0.1
190.09529	0.4
191.10643	17.3
192.11029	1.4
203.10608	0.6
204.10913	0.1
205.12206	1.8
206.12563	0.8
217.12274	0.1
218.12964	0.1
219.13701	0.2
220.14360	0.2
231.13754	0.3
276.20779	0.1
314.38333	0.1
414.34833	9.8
415.35291	0.6
432.35913	20.7
433.36276	1.5
440.79236	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	432.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.6
55.01855	3.9
55.05495	11.5
56.05033	16.4
57.03429	5.1
57.07054	2.7
58.06594	14.7
58.67813	2.1
61.02903	5.2
67.05494	16.3
69.03126	2.6
69.03416	29.4
69.07048	18.1
70.06568	7.9
71.04972	10.3
71.06413	6.7
73.02890	5.2
79.05476	9.7
81.02951	2.2
81.03380	11.8
81.07030	15.2
82.06561	3.8
83.04957	8.3
83.08611	3.9
84.04481	4.4
84.08130	6.5
85.02896	24.2
85.06522	5.4
85.18884	2.4
86.06054	3.1
87.04435	4.7
89.39973	2.4
91.05494	12.5
93.07023	21.2
94.06538	3.9
95.04943	8.2
95.08590	24.2
96.04469	2.5
96.08107	8.5
97.02869	12.2
97.06496	4.8
98.09687	11.1
99.04450	14.2
105.07005	18.7
105.94295	2.6
107.08583	26.8
108.08094	12.4
109.02859	8.2
109.06525	12.7
109.10133	16.2
110.06052	3.8
110.09660	9.4
111.08076	5.3
112.03948	4.7
117.07001	4.0
119.08562	24.4
121.02855	3.1
121.06458	6.5
121.10107	17.7
122.09643	5.4
123.08049	7.6
123.11687	4.6
124.07547	2.8
124.11169	3.5
125.09595	8.9
126.05486	3.1
127.03883	11.1
131.08607	11.6
133.10124	20.6
134.09625	9.0
135.08052	4.7
135.11667	12.0
137.02361	3.7
137.05974	3.5
137.09573	11.2
137.13258	3.4
138.09103	5.7
139.11143	3.5
140.07050	2.7
143.08543	3.5
145.04927	7.7
145.08844	3.0
145.10083	10.1
146.09589	2.8
147.11670	8.3
148.11220	4.0
149.05956	2.7
149.09508	2.5
149.13277	2.9
150.12738	4.6
151.11139	4.1
153.01831	4.2
153.09088	5.3
157.08714	2.9
157.10040	2.5
158.10916	4.5
159.11656	10.6
160.11217	5.1
161.09601	4.6
161.13255	7.2
163.14871	3.1
164.07086	5.7
166.04971	2.7
173.13277	12.9
175.11276	2.6
175.14790	13.7
177.12762	6.3
178.12283	4.3
184.95509	2.3
186.07629	3.5
189.16371	3.3
191.14290	5.9
192.13835	3.2
193.15802	12.6
195.13881	5.1
203.03448	3.2
204.08685	9.2
207.06418	3.9
208.17123	2.9
209.15291	3.6
216.17433	16.1
217.15883	7.2
222.09712	5.8
226.18016	5.7
234.18480	68.4
235.16899	14.5
252.19553	81.6
253.07106	7.8
253.17928	6.5
253.20184	3.6
270.13391	2.6
270.20633	7.8
328.11600	2.9
409.05844	2.5
414.24811	96.1
415.25296	4.6
432.25912	100.0
433.11087	2.7
433.24362	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.05487	1.4
56.05020	0.7
57.03419	1.2
61.02904	0.7
69.03419	6.3
69.07066	0.8
69.66223	0.8
71.04983	1.0
71.61145	1.2
73.02898	1.6
73.06538	3.5
78.03440	2.4
79.05475	1.3
80.05020	0.6
81.03419	4.7
81.07073	0.8
83.04978	0.9
85.02892	9.7
86.09708	1.0
87.04472	0.8
88.02191	2.7
89.06015	1.8
91.05466	1.2
93.07010	1.7
93.17506	0.6
95.04961	1.2
96.04484	1.7
97.02871	5.7
98.97569	1.4
99.04444	1.9
101.06007	2.3
103.05447	6.1
106.02899	14.6
107.04953	2.0
109.02862	3.6
110.20387	0.6
116.98555	0.9
117.05489	0.7
119.07060	1.1
120.08085	100.0
121.02828	1.5
121.08420	2.9
124.03932	21.9
125.02280	1.0
125.04253	0.8
127.03880	4.6
131.04887	4.0
133.02838	1.1
134.02690	2.6
136.06149	0.6
136.07515	0.7
137.05969	1.6
138.05344	0.7
138.09091	1.0
139.03922	0.8
139.47276	0.6
143.03394	0.8
145.02820	1.3
145.04939	2.6
146.99648	0.8
147.04350	1.2
149.05948	2.9
153.01801	9.5
153.05336	1.0
153.07549	1.3
161.05957	1.2
163.06134	0.9
165.05405	1.5
166.08611	57.2
167.07069	1.2
167.08974	1.6
177.05482	2.2
182.05746	2.3
191.06960	1.1
197.08095	1.9
203.06871	1.0
224.24037	0.8
232.06082	1.9
237.02727	1.3
250.07123	4.0
253.13029	0.9
268.08063	12.7
270.09760	1.2
271.11722	0.8
281.10150	7.3
299.11206	0.9
303.01309	1.2
315.61514	0.8
327.01053	1.0
384.04468	0.8
400.79874	0.7
412.52313	0.7
432.09650	0.9
432.14236	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	432.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.9
51.33806	0.6
53.03951	2.6
55.01860	0.7
55.05496	1.1
57.03423	1.5
69.03064	1.0
69.03419	12.8
69.75236	3.9
71.04976	1.1
73.02879	0.8
73.06557	0.7
76.38976	0.5
78.03004	1.0
78.03441	10.1
80.04998	1.8
81.02916	0.8
81.03403	15.7
83.04969	2.2
85.02893	14.7
89.05996	0.6
96.04488	5.8
97.02870	6.3
98.97620	0.7
99.04434	2.6
106.02898	64.1
107.03170	0.8
109.02866	11.4
120.08096	1.4
121.02819	0.8
124.03935	100.0
125.04274	1.4
127.03893	6.6
129.05505	1.2
131.04936	1.0
133.06429	0.5
137.05981	0.8
142.08601	0.6
145.04930	2.3
147.04359	0.6
153.01773	2.9
163.06035	0.9
163.07413	0.5
166.04967	2.0
191.07088	0.6
208.06119	0.7
226.07135	0.7
232.06007	6.6
233.06165	0.6
250.07066	18.7
251.07442	1.0
268.08118	67.9
269.08453	2.1
270.09814	0.7
279.84125	0.6
281.10248	2.3
303.01068	0.6
319.39594	0.6
403.63608	0.5
432.14978	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	432.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21605	0.8
53.03933	2.1
57.03426	2.4
58.88881	0.8
61.02914	0.9
69.03419	11.9
71.04981	2.1
71.61237	1.5
71.61623	1.0
78.03441	11.2
80.04999	2.0
81.03406	13.2
83.04990	2.5
85.02897	14.1
96.04487	6.3
97.02904	5.0
97.96103	0.8
99.04443	2.5
106.02902	65.6
109.02870	9.3
120.08139	1.1
121.02913	1.2
121.48116	1.0
123.04452	0.9
124.03936	100.0
125.04263	1.7
127.03907	7.7
129.05501	1.2
131.04918	1.1
139.03883	1.8
145.04971	1.3
153.01807	6.4
166.05009	2.3
167.07034	0.9
217.08928	1.0
232.06017	8.7
237.02882	1.3
250.07079	18.5
268.08121	69.6
269.08563	1.6
270.09589	1.1
303.01282	2.6
311.53894	1.1
394.99277	1.5
432.15158	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	431.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	7.5
55.10563	2.6
57.07066	27.2
63.05562	2.2
67.05489	6.0
69.07049	11.8
69.38403	3.1
69.38707	28.6
71.08611	20.6
75.97045	2.4
76.96979	2.6
81.07048	14.9
83.08616	7.1
85.08456	3.3
85.10168	10.8
85.43272	2.7
87.65825	2.6
89.06026	3.6
93.07053	4.2
93.58853	2.4
95.08597	11.4
97.10175	2.7
98.21566	4.5
107.08604	2.8
109.10146	5.1
112.92328	2.6
117.78497	2.9
119.08560	3.6
123.07999	4.5
133.08578	3.8
135.08000	2.8
137.06001	19.2
139.07497	3.8
149.06000	7.2
149.15944	2.6
151.07526	47.8
161.05975	4.0
165.05470	11.8
165.09045	13.6
167.07014	100.0
171.11656	2.5
175.07585	6.6
177.09059	4.2
179.07043	5.3
179.10632	3.5
181.08563	6.0
181.79559	2.6
189.09044	10.6
193.08615	9.4
203.10643	5.8
207.10176	15.0
217.12225	5.0
221.11668	5.7
231.13882	3.8
242.45676	3.5
250.27177	2.6
277.17810	2.7
386.84723	2.6
413.34079	6.7
431.35202	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3515
Annotation	Cerevisterol
Peak:m/z	Relative Intensity
55.05489	6.2
56.44132	2.6
57.07062	25.7
58.48925	2.7
67.05496	5.9
69.07045	11.3
71.08628	19.6
71.62524	4.7
71.62897	2.9
81.07043	15.4
83.08601	9.8
85.10159	10.3
93.07046	5.4
95.08598	14.0
97.10149	6.2
109.06519	3.0
109.10147	5.7
119.08553	4.0
121.06483	4.0
123.08103	4.7
137.05940	19.9
139.07520	5.6
139.36552	2.6
149.05942	6.4
151.07539	34.3
161.05957	7.4
162.13670	3.0
165.05443	11.8
165.09122	9.4
167.07021	100.0
171.26582	2.8
175.07538	5.5
177.09073	6.1
179.07024	5.9
181.08652	5.9
189.09114	8.2
189.12804	3.2
193.08554	11.2
207.10164	18.8
217.12257	3.3
221.11777	5.5
235.13333	4.0
241.22134	2.7
403.35950	4.1
413.34113	8.6
431.35059	62.7
432.35736	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3516
Annotation	Stylisterol A
Peak:m/z	Relative Intensity
53.03942	2.5
55.05502	8.7
57.07069	4.4
67.05498	12.5
69.03428	2.0
69.07061	19.7
70.80852	1.7
70.81196	2.5
71.04980	5.4
71.08620	1.9
79.05482	9.9
79.52997	1.1
81.07044	26.7
83.04951	3.0
83.08607	8.1
85.06535	3.5
85.10181	1.8
87.08295	1.0
91.05469	7.1
93.07027	22.7
95.04980	2.7
95.08594	41.3
95.93886	1.1
97.10155	3.6
99.08129	1.5
105.07012	12.7
107.08582	38.6
107.09287	2.3
109.06521	3.2
109.10150	24.7
111.04440	2.1
111.08071	1.8
113.00024	2.3
117.07023	2.0
119.08567	12.9
119.64153	1.1
121.06522	3.3
121.10123	25.2
123.08043	3.1
123.11699	6.8
125.09689	2.6
131.08568	2.6
133.10133	10.0
135.08046	6.5
135.11687	16.7
137.05992	1.2
137.09636	3.4
137.13293	4.1
143.08620	1.6
145.10098	8.4
147.08023	3.1
147.11694	7.3
149.09683	3.5
149.13240	8.7
151.07521	6.7
157.10101	2.9
158.10883	1.4
159.11670	6.3
161.09587	5.7
161.13208	7.4
163.11148	12.3
163.14798	18.4
165.05499	1.5
165.12729	1.5
167.07066	1.5
168.07452	1.5
169.02560	1.6
171.11726	2.7
173.13264	3.7
175.11217	4.9
175.14824	6.3
177.09134	1.8
177.12801	4.7
177.16316	6.7
185.13280	2.5
187.14757	6.8
189.09201	1.6
189.12724	15.2
189.16298	5.8
190.13022	1.3
191.10742	3.1
193.12305	2.7
199.14877	2.1
201.16342	2.8
203.14348	5.0
203.18010	2.4
205.15828	9.9
207.13889	1.9
207.17526	2.7
214.73927	1.3
215.14389	2.0
217.15967	3.6
219.17467	3.4
223.09731	1.9
231.17494	4.1
249.18533	2.1
275.27356	2.0
300.17398	1.2
353.28366	1.5
381.31598	4.3
385.30887	2.1
395.29553	3.9
399.32605	3.5
413.30328	5.9
413.34961	11.4
431.35352	100.0
432.35693	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	431.3151
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
53.03930	1.6
54.65258	1.1
55.01866	2.3
55.05500	6.7
57.07080	2.3
62.96168	1.0
66.09186	1.1
67.05479	4.2
69.03414	1.7
69.07059	7.7
70.88219	2.7
79.05466	3.6
81.07049	19.8
83.04971	1.4
83.08611	2.6
91.05466	5.4
93.07037	17.9
95.04940	1.6
95.08596	25.5
97.06509	1.9
97.10119	2.3
99.04422	1.6
101.05963	1.6
105.07022	17.8
107.08585	23.8
109.06548	1.3
109.10152	9.5
111.08039	2.7
117.06983	2.9
119.08569	39.8
121.06499	3.5
121.10123	18.0
123.08053	3.4
123.11694	3.7
125.09627	1.4
128.22128	1.1
131.08548	6.0
133.10124	21.3
135.08035	2.0
135.11685	12.6
137.13222	3.8
143.08598	2.2
145.10110	20.8
147.11678	22.0
149.09624	3.5
149.13254	3.8
151.11177	1.9
155.08449	1.3
157.10114	3.2
159.11658	13.2
161.09570	2.1
161.13275	6.3
163.11160	41.7
163.14775	13.2
163.50896	1.4
169.10109	1.8
171.11639	2.7
173.09599	11.3
173.13261	9.3
175.11211	2.0
175.14821	15.0
177.12791	2.4
180.02579	1.2
185.13243	4.8
187.14761	9.0
189.12758	3.6
189.16359	64.0
190.16684	1.9
191.10640	14.0
191.14268	2.9
193.12187	3.3
195.13791	1.3
197.13326	1.6
199.14818	3.9
201.16371	4.6
203.17924	5.3
205.12213	9.9
205.15834	1.4
205.19492	1.4
207.13867	3.9
207.17401	5.9
209.11694	1.6
211.14825	2.7
213.16400	5.4
215.14250	3.2
215.17899	2.5
219.13823	3.1
219.17390	1.4
221.15387	3.5
223.08167	1.2
227.17873	1.7
229.15802	2.1
233.15320	7.3
241.16138	1.5
245.15347	1.7
247.16959	5.2
257.15344	1.8
259.16876	6.1
263.20111	1.4
265.19244	1.4
271.16980	2.0
312.47650	1.4
349.28815	1.8
377.28271	5.0
395.29312	20.5
395.33664	1.6
396.29620	2.6
413.30441	100.0
414.30661	6.1
431.31531	51.1
432.31790	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	431.3148
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
55.01849	1.7
55.05498	9.4
57.07047	2.3
58.61861	1.2
59.04982	1.4
67.05486	7.4
69.07059	10.8
69.43362	2.2
69.43768	10.3
71.04982	2.4
79.05483	7.3
81.07040	24.0
83.04951	5.1
83.08599	4.1
85.06512	3.0
91.05455	8.4
93.07027	20.0
95.04936	3.4
95.08589	28.3
97.06490	3.4
97.10139	1.8
99.04419	6.1
99.08089	1.8
101.05987	2.9
105.07008	35.9
106.07332	1.2
107.08572	45.3
109.06497	4.9
109.10152	15.8
111.08048	6.5
117.06998	1.9
119.08556	52.3
120.08906	1.8
121.06479	3.5
121.09296	2.3
121.10122	31.2
122.10514	1.3
123.08067	5.5
123.11677	7.0
125.09615	2.1
129.06981	1.4
131.08554	11.0
133.10100	27.5
135.08025	4.4
135.11662	18.3
137.09581	3.0
137.13226	2.4
139.07533	1.4
141.06953	1.5
143.08577	2.8
145.09016	2.1
145.10098	27.2
146.10658	1.5
147.08075	2.5
147.11661	71.0
148.11996	1.7
149.09607	9.2
149.13245	8.7
151.11143	2.0
155.08467	1.3
157.10115	7.1
159.11652	11.1
161.09584	5.2
161.13240	21.3
163.11136	35.5
163.14780	8.9
163.15976	1.5
165.09059	1.4
165.12718	18.0
165.82161	1.2
169.10037	2.2
171.11655	5.9
173.09596	8.6
173.13222	10.2
175.11163	18.0
175.14789	7.8
177.12686	10.1
177.16383	2.9
179.14316	1.3
181.10011	1.1
181.12254	4.6
183.11659	2.3
185.13260	6.6
187.14801	19.7
188.15129	1.7
189.12666	7.1
189.16338	14.5
191.10645	3.6
191.14282	8.9
193.12207	30.9
195.12108	1.2
195.13760	7.5
197.13239	2.1
199.14774	5.3
201.16321	6.6
203.14307	7.7
203.17943	4.3
205.15845	70.3
206.16185	1.9
207.13757	13.7
207.17453	2.4
209.13362	1.7
211.14827	1.5
213.16350	8.9
215.14360	2.5
215.17908	2.1
217.15814	3.6
219.17374	5.8
221.15396	3.9
221.19006	1.9
223.16757	1.3
225.16362	1.2
227.17934	1.2
229.15787	2.0
231.17418	17.0
233.15266	2.5
233.18907	1.8
235.16829	1.4
239.17816	1.7
241.15681	1.2
243.17476	1.6
245.19058	1.4
247.16928	1.6
249.18460	22.5
251.17946	1.5
259.16946	1.5
261.18408	1.7
320.36755	1.2
322.40366	1.4
325.25919	1.3
330.28629	1.1
367.29758	4.1
377.28360	12.4
378.29187	1.5
395.24319	2.4
395.29395	47.4
396.29529	2.4
413.30447	100.0
414.30862	4.9
431.26523	1.6
431.31549	29.3
432.31494	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3151
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
51.02354	1.4
55.01857	1.7
55.05506	7.8
57.07077	2.7
67.05497	6.5
68.82380	1.3
69.07059	7.7
70.37009	4.5
71.58631	1.4
75.89108	1.4
79.05479	5.7
81.07050	21.8
83.04960	1.9
83.08614	4.5
85.06522	8.0
91.05470	10.5
93.07031	19.0
95.04939	1.4
95.08593	31.5
97.10154	2.5
99.04450	3.4
101.06009	2.5
105.07018	24.4
107.08579	36.4
109.06493	2.7
109.10150	13.6
111.08066	5.0
117.07038	2.5
119.08569	42.6
121.06476	3.7
121.10136	22.2
123.08073	4.6
123.11670	6.5
130.07764	2.4
131.08540	8.6
133.06476	3.9
133.10103	21.3
135.08055	6.3
135.11667	13.4
137.06017	1.3
137.09566	2.1
137.13196	2.5
143.08505	3.4
145.10103	34.2
147.08038	2.9
147.11674	29.1
149.09590	3.8
149.13275	5.4
151.07518	2.1
151.11145	2.5
156.09363	2.4
157.10139	6.5
159.11670	15.5
161.09619	2.9
161.13257	10.6
163.11168	41.8
163.14812	14.4
165.12822	1.9
169.10143	3.2
171.11694	7.3
173.09599	21.3
173.13245	12.3
175.11179	2.8
175.14798	16.9
177.12668	3.3
185.13310	2.3
187.11218	2.8
187.14798	13.1
189.12772	5.0
189.16357	64.7
191.10625	18.5
191.14297	3.9
193.12241	3.4
195.13783	2.3
197.13330	2.8
199.14755	3.3
201.12790	1.7
201.16389	6.5
203.17970	6.0
205.12276	10.1
205.15874	3.5
205.19493	1.4
207.13817	6.3
207.17422	4.1
209.11760	5.8
211.14925	2.7
213.16431	4.8
215.14311	4.5
215.17935	6.4
217.19592	1.7
219.13840	3.2
221.15338	2.1
225.16438	2.2
233.15427	8.2
247.16983	7.3
257.15332	1.6
259.16977	3.6
261.18610	1.7
263.20132	5.9
271.16946	2.9
357.24332	1.7
367.30106	1.9
377.28448	3.9
385.30948	1.6
395.29416	23.9
396.29907	1.6
413.30441	100.0
414.30777	5.7
431.31598	67.9
432.32037	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	431.3151
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
55.05501	7.2
57.07064	1.3
67.05488	5.8
69.07055	7.1
69.86778	2.1
69.87186	3.6
71.04976	1.5
79.05480	6.5
81.06567	1.6
81.07040	24.1
83.04959	2.1
83.08611	2.6
85.06539	2.7
91.05444	6.4
93.07031	16.4
95.04956	1.3
95.08595	30.9
96.70486	1.1
97.06529	2.0
97.10125	1.0
98.21389	1.2
98.45087	0.9
99.04436	1.6
101.05991	2.5
105.07019	21.6
107.08577	30.1
109.06496	3.9
109.10130	10.5
110.43410	0.9
111.08083	1.5
117.07034	2.5
119.08563	32.8
120.08932	0.8
121.06451	1.4
121.10121	20.3
123.08094	4.5
123.11687	3.4
125.09685	1.5
127.07514	1.2
129.06976	1.5
131.08543	7.2
133.06523	1.0
133.10117	25.5
133.78952	0.9
135.08067	3.0
135.11667	21.4
137.09607	1.9
137.13208	1.7
143.08537	2.9
145.10091	12.5
147.11676	13.1
148.12097	1.0
149.09607	2.5
149.13271	5.9
151.11191	1.7
157.10118	4.8
159.11659	15.0
160.12462	1.1
161.09624	3.2
161.13220	7.3
163.11195	5.5
163.14784	6.0
165.12712	2.0
169.10100	1.4
170.10982	1.3
171.11665	6.9
173.09566	1.6
173.13237	10.8
175.14799	100.0
176.15170	3.0
177.12701	11.0
177.16356	1.1
179.10582	1.2
179.14311	1.9
181.12117	2.3
183.11681	3.0
185.13239	5.7
187.11237	1.4
187.14801	5.1
189.12761	1.3
189.16341	7.6
191.10721	1.4
191.14285	3.7
191.17934	7.3
193.12289	1.4
193.15840	7.5
195.12071	1.4
195.13776	10.1
196.14134	0.8
197.13303	3.8
199.14806	4.0
201.12769	1.9
201.16328	3.4
203.14326	2.1
203.17952	3.5
205.12189	9.4
205.13644	0.9
205.15816	1.2
206.37943	0.9
207.13828	1.7
207.17415	2.5
209.11629	1.5
209.13425	1.0
209.95702	1.0
211.14813	3.3
213.16322	6.5
215.17949	2.1
217.15826	2.9
219.13799	1.7
221.15309	1.9
223.13188	1.2
225.16370	3.3
227.17993	2.1
229.19604	0.9
231.13968	1.5
231.17462	1.7
233.15323	1.9
235.17061	1.4
239.17949	2.8
247.16920	1.4
249.18571	1.1
253.19450	1.9
255.17668	1.0
259.16992	2.5
261.18542	1.9
273.18491	2.1
279.21112	1.2
294.23279	1.3
299.20078	1.1
314.73105	0.9
325.21564	1.0
351.22137	0.9
372.61325	0.8
377.28308	2.7
395.29385	25.8
396.30365	1.1
413.30554	29.0
414.30646	1.2
431.31546	82.0
432.31952	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	431.3152
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
52.79928	0.3
55.01854	0.8
55.05501	4.3
57.07059	0.9
59.04979	0.7
67.05495	5.2
69.03407	1.0
69.07054	4.0
69.94937	0.3
71.04985	0.7
73.02889	0.4
78.34988	0.3
79.05481	2.5
81.07041	7.6
83.04971	3.3
83.08604	1.1
85.06531	1.1
91.05467	2.8
93.07030	9.9
95.04943	1.0
95.08594	13.7
96.08913	0.5
97.06518	1.4
97.10155	0.8
101.06004	1.4
102.78036	0.4
104.86202	0.4
105.07011	6.8
107.04969	0.8
107.08576	15.0
109.06505	1.1
109.10145	10.0
110.10494	0.4
111.08069	0.8
115.07533	0.5
117.07016	1.6
119.08561	10.9
121.06482	2.6
121.10131	9.0
123.08054	1.5
123.11694	2.3
125.09619	1.3
129.06975	0.8
131.08551	3.8
132.08986	0.4
133.06462	1.4
133.10121	9.3
135.08043	6.2
135.11671	20.8
136.12015	0.5
137.09602	1.6
137.13213	0.5
142.07767	0.6
143.08527	1.7
144.09352	0.9
144.20876	0.3
145.10101	6.1
146.57474	0.3
147.08035	2.2
147.11655	5.5
149.09627	2.3
149.13254	4.3
151.11148	0.9
153.09108	1.0
153.12796	0.7
155.08481	0.4
156.09366	0.4
157.10159	1.9
159.11667	12.7
161.09628	2.9
161.13249	3.9
163.11163	11.2
163.14793	1.0
165.12717	3.5
167.10684	0.5
169.10181	0.4
171.11627	1.9
173.13237	6.6
175.11171	3.5
175.14804	3.2
177.12729	12.2
177.16315	0.9
179.14330	0.4
181.12253	0.7
183.11647	0.7
185.09604	0.4
185.13226	2.0
187.11183	0.7
187.14771	3.8
189.12732	9.8
189.16324	1.9
191.10669	0.4
191.14296	4.6
191.17932	0.4
193.12267	0.4
195.11929	0.5
195.13768	4.2
197.13200	0.7
199.14789	2.3
201.12822	0.4
201.16344	1.6
203.14282	3.3
203.17926	0.7
205.12204	0.6
205.15846	6.5
207.13853	1.5
209.13390	0.4
209.15295	0.6
211.14764	0.7
213.16399	2.4
215.14285	1.1
215.17949	1.9
217.15823	4.1
219.17424	1.5
221.15363	0.6
223.14851	0.6
223.16832	0.6
225.16351	0.5
227.14296	0.5
227.17809	0.6
229.16006	0.6
231.17432	4.2
233.19067	2.3
235.16954	0.7
239.17909	0.5
241.15649	0.4
247.16942	0.4
249.18488	1.7
257.19003	0.4
259.17020	0.6
271.20667	0.4
346.63513	0.3
359.27216	0.7
377.28342	3.5
395.29462	10.3
395.34506	0.7
396.29874	0.7
413.30511	14.2
414.30869	0.7
431.31531	100.0
432.31924	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	431.315
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
51.99641	1.5
55.01860	2.0
55.05499	8.7
57.07067	2.2
62.41315	1.6
67.05502	9.2
69.03415	7.6
69.07063	8.7
71.52168	1.3
79.05495	5.1
81.07047	17.0
83.04970	3.7
83.08636	2.6
85.02908	2.9
85.06534	2.1
91.05476	11.8
91.45024	1.2
93.07028	13.8
94.23243	1.2
95.04949	1.2
95.08597	32.0
97.06523	2.6
97.10132	1.9
99.04458	5.9
101.06012	4.6
105.07024	17.8
107.08578	42.6
107.09280	2.5
109.06555	2.0
109.10139	17.1
111.04433	1.8
111.08063	2.2
117.07044	2.5
119.08569	100.0
121.06546	2.1
121.10125	18.8
123.08072	3.5
123.11709	7.1
125.05987	3.3
125.09534	1.4
129.05519	1.7
131.08571	6.1
133.10098	17.2
134.96349	1.3
135.08035	25.0
135.11671	12.7
137.09576	2.8
137.13240	2.0
142.07652	2.0
143.08524	3.5
144.21225	1.4
145.10094	14.5
147.06488	1.4
147.11668	20.5
149.09627	3.6
149.13219	10.9
149.49672	1.7
151.11191	3.2
155.08556	1.7
156.09340	1.7
157.10130	7.8
157.11334	1.8
159.11676	18.9
160.12276	1.4
161.09639	2.9
161.13246	12.0
163.10054	1.6
163.11156	9.0
163.14789	7.7
169.10089	1.6
171.11620	6.8
173.09587	1.6
173.13237	9.4
175.14839	9.0
177.12752	6.7
177.16411	3.8
181.12189	1.9
183.11671	2.5
185.13217	7.3
187.11128	2.0
187.14835	11.7
189.12683	7.0
189.16364	10.9
191.10678	3.3
191.14360	5.4
191.17929	4.4
193.12288	2.6
195.13745	2.8
197.13260	4.4
199.14809	5.9
201.16371	16.2
203.14304	2.0
203.17865	7.7
205.12207	5.7
205.16078	1.8
207.13728	7.1
209.15326	3.2
211.14865	4.3
213.16376	4.4
217.15956	2.0
217.19656	2.0
219.13779	2.4
219.17438	3.3
221.15446	5.1
225.16347	3.4
227.18024	2.5
229.15919	4.9
229.19547	1.5
231.17303	1.7
233.15373	2.1
235.16936	5.4
239.18002	1.7
247.16959	4.2
253.19606	3.4
255.21136	2.2
267.21469	1.7
281.13733	4.3
325.21561	1.5
355.26233	1.6
359.27390	2.5
377.28308	6.5
395.29431	52.5
396.29807	4.0
413.30469	80.5
414.30859	5.3
415.21243	3.3
431.31635	58.9
432.31958	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	431.3151
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
53.03955	1.0
55.01854	1.4
55.05500	7.3
57.03421	0.7
57.07069	1.1
59.05001	0.9
61.82304	0.7
63.40177	0.6
67.05497	5.6
69.03419	2.3
69.07060	5.5
69.51437	5.5
71.01341	0.6
71.04976	0.9
76.98389	0.7
79.05482	4.8
81.07051	12.0
83.04983	2.6
83.08611	2.1
85.02885	0.8
85.06525	2.5
91.05464	5.9
93.07037	12.6
95.04913	1.4
95.08592	19.5
97.06536	1.8
97.10155	1.1
98.20808	1.5
99.04444	3.4
99.08052	0.7
101.06012	3.3
105.07029	10.9
107.04975	0.7
107.08582	19.8
109.06521	2.6
109.10143	9.5
111.08077	2.3
117.06062	0.6
117.07003	2.1
119.08565	20.2
121.06506	6.2
121.10130	18.6
123.08030	3.9
123.11688	5.3
125.09595	3.2
127.07525	1.0
131.08559	5.0
133.06467	1.3
133.10110	15.8
135.08052	3.9
135.11684	10.2
137.09628	2.8
137.13210	1.5
139.07529	0.9
139.11186	1.2
143.08562	2.7
145.10103	9.3
147.08044	1.2
147.11674	11.3
147.49748	0.7
148.11923	0.8
149.09602	6.2
149.13242	5.1
151.11174	1.4
157.10094	3.8
159.11673	9.3
161.09607	2.0
161.13239	8.2
163.11150	3.5
163.14798	6.5
165.09138	0.9
165.12718	0.9
167.10616	1.3
169.10085	1.7
171.11693	5.9
173.09624	1.9
173.13257	7.4
175.11177	2.3
175.14812	8.3
177.12759	3.9
177.16331	1.0
179.14305	0.8
183.10216	0.8
183.11719	2.9
185.13245	5.1
187.11183	2.1
187.14803	8.1
189.12721	4.9
189.16371	4.2
191.10637	0.9
191.14275	9.4
191.17976	1.8
193.12256	1.2
193.15880	2.7
195.11852	0.8
195.13794	1.4
197.13205	1.7
199.14864	4.3
201.12726	1.6
201.16333	6.9
203.14336	3.7
203.17964	3.1
205.12292	2.3
205.15907	2.8
207.13799	2.9
209.13478	1.3
209.15376	3.5
211.14822	1.5
213.12805	0.8
213.16417	2.4
215.14400	0.9
215.18036	1.6
217.15938	1.5
219.13747	1.2
219.17500	0.8
221.15453	2.2
225.16376	2.3
227.17920	2.6
229.16005	0.7
229.19632	0.8
233.15341	1.4
235.16931	1.2
239.17950	1.6
241.15805	1.0
243.17491	2.2
247.16943	0.8
257.19101	1.0
261.18597	1.2
271.20596	1.0
273.18546	1.0
279.21176	1.0
291.19598	2.2
297.22131	2.1
299.19962	0.8
339.23196	0.8
359.27295	1.6
367.29977	2.3
377.28482	4.0
385.31003	2.2
395.29474	25.5
396.29416	2.0
413.30499	35.1
414.30972	2.2
431.31586	100.0
432.31821	4.8
433.27081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3149
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
53.99290	1.0
55.05499	9.9
56.02866	0.9
57.07057	1.9
67.05489	9.4
69.03404	1.0
69.07059	9.6
69.43119	10.4
71.04954	2.1
72.77255	1.2
79.05488	7.8
81.06577	1.7
81.07047	33.0
83.04959	2.5
83.08619	5.1
85.06532	5.5
91.05456	5.7
93.06461	1.5
93.07026	20.1
95.04951	2.5
95.08593	47.6
97.06496	4.6
97.10133	3.1
98.20734	1.4
99.04436	4.7
101.05993	5.2
105.07014	16.9
107.08577	25.0
109.06519	6.5
109.10136	16.6
111.08036	3.4
111.11718	2.0
117.06989	3.9
119.08562	27.7
121.06471	2.2
121.10122	23.3
123.08059	4.3
123.11676	5.4
125.06026	1.3
125.09593	1.6
127.07558	5.4
128.06146	1.1
129.06920	1.3
129.18190	1.1
131.08554	11.0
133.06496	1.3
133.10109	44.4
134.10408	1.3
135.08008	3.5
135.11658	14.2
137.05942	1.8
137.09583	4.0
137.13228	2.8
139.07510	2.8
143.08513	6.8
144.09328	1.8
145.10109	20.3
147.08072	1.8
147.11664	16.7
149.09584	3.0
149.13228	8.7
151.11130	2.8
153.09120	2.0
156.09264	2.3
157.10103	12.0
158.10805	1.9
159.11664	33.3
161.09608	1.4
161.13239	13.0
163.11179	3.9
163.14825	5.2
169.10098	3.5
170.10840	2.2
171.11682	12.6
172.12424	2.3
173.09537	1.4
173.13232	21.4
175.11156	3.5
175.14772	9.0
177.12701	1.6
177.16386	2.5
179.10643	4.1
179.14256	1.3
181.12219	5.6
183.11584	5.7
184.12405	3.9
185.13249	17.2
186.13828	1.8
187.14803	16.0
189.12749	4.1
189.16365	7.1
191.10779	1.3
191.14284	7.7
193.12186	1.5
195.13733	2.3
197.11714	1.3
197.13248	7.2
199.14789	46.7
200.15202	1.8
201.16351	100.0
202.16641	3.1
203.14270	1.2
203.17818	1.1
205.15865	4.5
207.13757	8.9
209.13383	2.0
209.15317	19.7
211.14780	5.4
213.16353	4.6
214.53931	1.0
215.17798	6.0
217.15857	7.2
219.13925	1.3
221.15396	2.3
225.12701	1.1
225.14540	2.0
225.16405	3.7
227.17886	3.8
229.15965	1.4
233.15382	5.1
239.18028	2.5
241.19402	2.5
251.16299	14.1
253.19411	2.1
255.21001	1.9
260.35782	1.0
267.21094	1.7
273.18362	2.3
277.17844	2.2
279.21191	1.3
281.22485	1.8
287.20166	1.4
291.19373	2.1
294.23413	1.4
299.20068	2.8
301.21582	1.5
303.19308	1.2
307.20496	1.3
313.21686	1.2
317.20801	2.1
325.21671	6.4
327.22867	1.1
339.23117	2.0
343.22690	5.8
357.23984	1.3
359.27325	1.5
367.30011	2.5
377.28323	4.6
395.29398	94.5
396.29709	6.9
413.30521	59.1
414.30771	4.3
431.31711	32.2
452.50906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.315
Annotation	Plastoquinone 1
Peak:m/z	Relative Intensity
53.03931	2.7
54.31332	1.8
55.05505	11.7
57.07056	4.5
59.30768	1.7
62.72224	1.8
65.03922	2.4
67.05497	16.4
69.07066	19.4
71.04972	10.3
76.79336	1.8
78.37218	1.7
79.05480	18.1
81.07044	42.7
83.04975	5.6
83.08592	9.3
85.06535	5.6
91.05463	15.8
93.07035	43.7
95.04974	4.5
95.08592	60.9
97.06528	4.0
97.10159	4.0
97.52184	1.7
99.04433	5.3
99.08086	7.9
101.06011	2.7
105.07018	37.2
107.07852	3.5
107.08578	70.9
109.06505	7.6
109.10143	33.9
111.08054	4.8
114.17627	1.8
115.05410	2.5
117.06996	5.5
119.08563	80.5
121.06470	7.7
121.10124	48.7
121.10989	2.1
123.08061	7.6
123.11694	25.2
125.09597	4.9
126.21301	1.7
127.11192	13.7
129.07007	2.0
130.07834	2.0
131.08572	13.2
131.18196	1.8
133.06432	1.8
133.10106	64.2
135.08035	13.3
135.11668	59.4
136.12086	2.5
137.09595	7.9
137.13217	9.8
142.07712	2.0
143.08536	6.8
144.09296	2.2
145.10095	38.3
147.07976	2.3
147.11665	39.2
149.09621	7.3
149.12157	3.5
149.13243	40.9
151.07555	3.9
151.11174	10.8
157.10138	10.2
159.11668	26.7
161.09589	9.1
161.13199	24.7
163.11171	26.8
163.14790	12.6
167.10620	4.8
169.10124	4.4
171.11662	9.4
173.09596	22.9
173.13228	14.3
175.11168	4.8
175.14772	21.2
177.09088	6.5
177.12726	7.1
177.16377	4.9
179.10678	7.1
181.08586	3.6
181.12242	2.6
183.11703	3.9
185.13272	6.8
187.11095	4.7
187.14810	12.3
189.12764	5.8
189.16353	56.8
191.10678	12.2
191.14333	3.7
191.17950	10.4
193.12242	6.9
195.13768	4.0
197.11722	7.6
197.13283	4.6
199.14809	8.4
201.16342	12.0
203.14233	3.3
203.17911	24.7
205.12202	11.9
205.15887	4.9
207.13832	4.7
207.17424	24.8
209.11693	4.9
211.14825	3.7
213.16365	8.6
215.14317	3.5
215.17958	5.4
217.16107	2.4
217.19484	32.5
219.13737	2.5
221.18874	3.4
223.13232	2.7
223.16963	5.5
225.16594	2.2
227.14331	1.9
227.17969	4.7
229.19527	1.9
233.15379	3.2
233.19041	3.2
235.16910	2.5
235.20456	4.1
245.15242	2.6
247.16943	2.6
259.16959	3.4
261.18649	2.3
273.18439	4.2
285.18555	2.7
289.21478	2.1
309.22241	3.3
315.23224	3.8
327.23123	7.5
349.28854	2.5
353.45697	2.0
377.28360	8.3
395.29373	42.6
413.30447	100.0
414.30780	5.3
431.31503	77.4
432.32007	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	431.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01857	3.6
56.96542	3.1
57.03412	5.4
61.02900	6.6
66.90232	1.9
69.03432	20.0
69.31823	17.8
69.32240	4.3
70.06578	3.4
71.04976	3.1
72.08165	2.6
73.02882	6.3
79.01834	1.7
81.03412	9.0
83.04954	5.2
84.00517	1.8
85.02429	3.5
85.02896	47.4
86.03202	3.0
86.09698	2.0
87.04445	5.7
87.05553	3.1
88.03952	2.2
88.07629	2.4
89.07119	2.4
90.05550	29.8
95.04961	2.0
97.02877	21.8
97.41333	1.7
98.97549	6.6
99.04417	3.5
101.00851	3.9
104.10698	5.8
109.02850	8.2
111.04411	2.3
113.08595	1.8
116.07101	2.1
116.98575	6.0
119.01907	9.4
121.02830	1.8
123.44242	1.8
124.03909	4.1
125.02357	1.8
127.03900	22.2
131.01907	9.2
133.03439	4.6
133.06068	10.3
134.99617	1.9
136.06203	2.2
137.01855	3.9
137.02855	2.5
137.05916	6.3
143.01941	9.3
145.03423	6.5
145.04932	14.6
146.02391	2.0
147.04236	2.4
152.07025	2.6
153.01837	31.6
154.02110	4.0
155.01871	2.6
157.03409	5.0
158.99651	3.1
159.05009	2.6
161.02902	8.1
163.02649	2.7
163.04004	2.7
167.07037	3.4
171.05020	4.1
171.06425	2.2
173.01358	1.7
173.02937	9.9
175.02689	2.4
175.04405	1.8
177.00734	4.2
183.04994	1.9
184.06036	2.2
185.02910	3.0
187.04428	4.8
189.04092	2.1
189.05745	2.3
191.02258	2.6
197.03003	2.1
201.00739	2.5
203.04022	14.5
213.00545	2.3
213.05968	2.7
219.01749	3.2
221.04985	3.1
235.06776	1.9
237.02721	2.6
237.05972	2.5
241.05708	2.2
244.58061	2.4
245.05003	11.9
259.58685	2.6
260.57233	11.4
267.07010	2.3
267.58646	2.6
275.05963	2.1
280.08920	2.0
280.12033	1.9
303.01221	3.3
321.04709	2.3
321.10110	3.0
350.11441	2.1
363.97354	2.2
365.08951	3.4
431.09293	100.0
432.09689	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	430.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.4
55.05509	11.9
56.05021	5.6
57.03430	12.0
58.06592	11.1
59.04983	6.3
61.02899	6.7
67.05499	9.6
69.03107	5.1
69.03427	39.1
69.07053	10.2
69.35979	49.3
70.06597	6.0
70.68830	4.0
71.04964	8.5
73.02918	5.4
74.06057	17.9
79.05463	7.1
81.03409	17.9
81.07037	18.9
83.04971	15.3
84.04498	19.3
85.02897	58.6
85.55434	4.4
86.09716	4.9
91.03933	4.5
91.05463	10.6
93.07026	29.5
95.04942	14.8
95.08591	14.9
96.08153	5.5
97.02884	19.5
98.06026	9.1
99.04425	7.0
105.07033	26.7
106.02911	11.8
107.04965	7.8
107.08583	29.7
108.08079	7.1
109.02856	14.5
109.06499	11.3
109.10135	13.8
110.06001	10.6
114.05570	4.7
115.03918	4.8
117.07005	7.3
119.08554	15.1
121.02827	5.2
121.06481	6.8
121.10129	15.1
123.08064	21.9
124.03934	14.7
124.07593	9.7
126.05495	12.1
127.03850	8.0
131.08560	12.2
133.06464	6.8
133.10106	14.6
135.08020	9.7
135.11658	8.4
137.05972	23.8
137.09608	14.3
145.04961	5.4
145.10097	11.1
147.04305	5.3
147.11668	17.3
149.09587	13.5
151.07501	5.6
159.08073	5.2
159.11778	5.2
161.09610	5.8
161.13309	6.3
163.11125	7.0
164.07118	6.4
168.06534	6.3
171.11807	5.5
173.09459	6.1
177.12721	12.9
186.07611	18.1
189.12737	46.3
191.14220	8.4
204.08653	41.7
206.10210	5.7
207.13875	24.2
209.15364	18.8
224.16335	7.3
232.17007	10.2
233.15393	7.4
250.07266	6.1
250.17996	100.0
251.16341	19.6
251.18613	8.6
268.08047	13.3
268.16147	6.1
268.19025	97.4
295.11517	5.3
318.83331	4.4
386.21732	9.1
401.12384	6.0
412.23404	36.4
430.24530	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40567	2.9
55.01844	4.3
55.05500	5.2
57.03415	13.6
57.07049	5.0
59.04979	10.8
60.87062	2.6
67.05489	8.6
69.03416	24.6
69.07020	4.3
70.06592	17.4
70.14040	3.4
71.04953	6.6
71.61658	5.9
73.02886	9.8
79.05468	5.1
81.03394	6.1
81.07029	8.4
83.04953	6.0
84.08124	4.8
85.02892	31.7
86.09665	6.4
87.04446	13.8
91.05460	6.2
91.73231	2.8
93.07039	14.5
95.04961	7.0
95.08566	9.3
96.08089	3.4
97.02886	24.3
101.06001	5.2
105.07016	22.2
107.08573	36.0
109.02863	5.8
109.06496	10.0
109.10133	17.9
115.03926	18.8
115.44269	3.2
117.07067	5.2
119.08559	24.2
119.10667	38.2
120.13026	3.1
121.02873	5.4
121.06452	7.4
121.10095	15.2
123.08043	21.1
124.03906	5.8
124.07559	8.8
127.03878	8.9
131.08511	9.5
133.04968	18.9
133.10066	10.9
134.09634	9.7
135.08080	15.0
135.11673	20.0
136.07521	4.5
136.11145	7.2
137.09595	100.0
138.09941	3.8
145.04942	6.8
145.08699	3.6
145.10114	11.4
147.04393	3.7
147.07997	7.1
147.11682	10.0
148.11151	11.5
149.09598	9.7
153.01843	3.7
153.09160	5.3
156.09254	4.5
161.09557	6.5
161.13211	18.2
162.12718	4.6
163.11197	3.2
164.07030	7.6
173.13174	4.4
175.11180	5.6
176.10760	3.3
177.09114	3.7
177.12686	3.1
179.14261	3.5
180.13750	8.2
189.12683	19.9
203.14362	4.1
204.17361	5.1
205.15889	4.7
206.15472	4.2
207.13768	29.2
215.14381	4.3
220.16875	28.5
225.14824	11.9
232.16934	27.1
233.15297	9.4
250.17996	58.1
268.18884	8.1
315.76294	2.9
412.23355	5.9
430.15811	4.2
430.24615	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19882	1.7
53.03938	1.9
53.30132	1.7
55.01851	8.8
55.05493	3.4
56.99992	1.7
57.03429	12.9
57.07071	20.4
59.04967	2.8
61.02911	5.3
62.19266	1.9
63.04478	20.9
67.05502	10.9
69.03413	22.3
69.07059	3.5
69.66437	1.9
70.06577	7.7
70.86517	2.3
70.86844	4.1
71.01313	3.0
71.04961	4.6
73.02900	16.7
79.05474	5.3
81.03385	7.2
81.07027	4.2
83.04951	4.1
83.08556	2.3
85.02422	2.8
85.02890	38.7
85.06519	8.9
86.09679	5.5
87.04433	2.9
91.05490	3.1
93.07007	5.6
95.04928	3.5
95.08591	55.1
97.02869	20.4
98.06129	2.0
99.08079	2.5
103.03933	2.2
105.03352	4.6
105.06998	5.1
107.08569	3.5
108.08101	53.9
109.02875	5.5
109.06487	3.0
109.10123	3.8
112.07574	2.8
113.05972	8.7
115.03925	12.8
119.08600	12.3
119.10674	100.0
121.02826	2.4
121.05525	2.4
121.10117	6.5
123.04446	2.3
123.08056	25.2
124.03960	2.8
127.03876	9.6
131.04878	4.1
131.08562	2.9
132.05154	2.0
133.04932	16.4
135.08031	2.7
135.11653	9.0
136.07552	3.4
137.09651	2.5
145.04950	11.9
145.10170	2.0
147.11653	7.6
148.11134	2.5
149.09575	17.8
150.12743	4.3
151.07477	3.1
151.14789	3.8
152.07005	3.2
153.01907	2.0
161.08310	3.4
161.13243	8.4
163.06004	3.6
163.11150	7.6
165.12753	4.0
170.08138	2.1
171.11649	4.0
176.10646	26.6
179.14328	4.0
189.12720	15.3
190.02534	2.5
191.14302	2.3
207.13768	81.9
208.03688	1.9
223.05917	19.7
225.14825	6.4
232.16878	11.4
233.15236	3.1
239.12129	2.2
250.18008	19.0
268.18970	2.7
356.17053	4.2
365.07700	2.1
408.72958	2.3
412.23169	7.5
430.24200	5.8
437.38586	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86817	1.5
55.05499	3.1
57.03428	21.6
57.07067	14.7
59.04980	5.5
61.02918	6.2
63.04479	22.8
67.05490	2.4
69.03419	48.3
69.52763	7.5
69.53185	7.1
70.06570	10.2
71.04992	2.1
73.02907	23.6
81.03398	6.9
81.07072	2.3
85.02885	50.7
86.09691	4.9
87.04460	26.1
93.07024	4.8
95.04964	3.4
95.08585	3.4
97.02882	49.7
97.06509	2.0
98.20788	4.0
99.04436	3.6
101.06033	2.3
105.07013	7.4
105.89973	1.7
106.02927	1.8
107.08585	11.0
109.02860	4.7
109.06490	3.1
109.10131	2.7
115.03912	57.7
119.08548	7.1
119.10675	100.0
120.08095	2.1
121.02880	2.5
121.06458	1.9
121.10102	4.9
123.04388	2.0
123.08025	4.9
124.07517	2.9
127.03880	9.0
131.08556	1.9
133.04947	48.2
135.08009	3.6
135.11646	4.7
136.07541	3.3
137.05966	3.0
137.09601	20.0
145.04918	8.4
145.10100	3.1
147.11702	3.1
149.09593	3.7
150.07640	3.4
157.35429	1.7
159.11578	2.0
161.09662	2.3
161.13245	4.6
163.06035	2.4
163.11188	3.1
164.07050	4.3
176.10596	1.9
187.14841	2.0
189.12773	3.7
204.17567	2.0
207.13782	7.5
220.16969	5.8
225.14816	4.1
229.15392	2.3
232.16893	8.2
233.15303	3.7
240.07640	2.4
250.17989	21.4
251.14801	2.9
259.08115	4.7
268.19012	5.2
281.16003	3.1
295.10162	2.8
404.11264	1.9
412.23190	4.0
430.24713	10.5
431.18835	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	430.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31726	0.6
53.03933	1.3
54.49296	0.6
54.62159	0.5
57.03424	3.5
59.04991	50.3
67.05486	1.1
69.03421	7.3
69.07060	0.7
69.16898	0.6
70.06580	6.7
70.18845	1.1
70.19195	2.6
71.04967	2.1
71.52176	0.6
73.02891	2.0
81.03412	4.5
81.07020	0.6
83.04945	0.8
84.04505	0.9
85.02887	8.7
86.09680	2.0
87.04452	4.1
89.06025	1.2
95.04984	1.1
97.02869	6.6
98.21448	0.8
99.04426	2.2
99.08101	0.8
101.05995	16.7
106.02930	0.9
108.08115	0.6
109.02843	4.0
109.06475	0.9
112.03960	0.6
112.07605	3.8
115.03902	14.6
116.07151	0.6
117.05473	4.3
117.09103	1.8
120.08094	3.0
121.02821	3.0
124.03938	1.2
124.07539	0.8
127.03895	7.2
129.05457	100.0
130.05777	1.6
131.07024	6.5
133.04933	1.8
134.05972	0.5
136.07585	1.3
139.03857	0.6
140.07027	3.5
145.04919	3.6
147.06493	23.5
151.03899	0.6
152.07040	0.9
153.01810	4.0
163.05969	1.1
167.06979	0.8
177.07536	1.3
208.09741	0.8
210.11209	0.7
213.07498	1.0
222.05493	0.8
250.10806	2.2
259.08295	0.9
268.06131	2.1
268.11676	1.0
268.15475	0.8
273.09628	6.1
280.10779	0.6
291.10681	11.7
345.11868	1.0
377.14340	5.3
385.86789	0.7
395.15491	1.5
408.48792	0.6
430.11423	2.8
430.16837	3.1
431.15298	2.4
432.58127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57652	0.9
53.03930	1.4
55.01871	2.1
57.03429	2.3
59.04994	51.4
61.02906	1.9
62.06067	3.6
67.05502	1.7
69.03417	10.1
69.07061	2.8
69.50809	3.0
69.51234	6.0
70.06580	3.3
71.04978	4.1
73.02875	1.7
73.06570	0.9
73.63148	1.1
74.04953	1.1
75.04468	2.5
81.03418	7.4
81.07071	1.5
83.04972	1.2
84.04497	1.8
84.39108	1.0
85.02895	27.9
86.09701	2.1
87.04453	2.8
89.06015	2.5
91.05792	1.1
93.07023	1.1
95.04964	1.0
97.02890	11.4
97.62414	1.0
99.04423	3.8
101.05998	13.5
103.03939	4.6
105.07046	2.1
107.04973	1.0
107.08569	1.2
108.08098	2.5
109.02862	7.9
112.07594	2.6
115.03922	9.2
116.07076	3.9
117.05477	75.5
117.09106	1.5
120.08041	1.6
121.02882	1.6
124.03965	1.7
124.07581	1.0
127.03907	11.9
129.05467	100.0
130.05809	1.6
131.07004	1.7
136.86298	1.1
139.03879	1.4
140.07059	2.0
145.04944	15.4
147.06522	21.0
152.07086	1.3
153.01794	5.0
162.09145	1.1
163.06007	19.7
197.08086	1.2
202.90150	1.0
203.05252	2.2
204.08670	1.3
206.15381	1.8
238.11711	1.0
250.14554	1.3
250.18039	3.5
259.08151	1.2
268.15488	1.4
273.09683	6.2
275.11362	1.4
289.09137	5.0
291.10727	13.4
307.10239	6.8
359.13309	1.6
377.14377	8.1
395.15475	4.0
412.23309	1.4
430.21289	62.3
431.15469	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3723
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05499	1.5
57.07070	4.5
67.05486	3.4
69.07050	2.6
69.98413	3.5
71.08625	3.7
81.07058	4.8
83.08595	1.7
85.10172	1.6
93.07057	0.8
95.08602	3.3
97.10149	1.6
99.11756	0.6
105.06999	0.7
107.08562	1.3
109.10152	2.8
111.11776	0.7
117.06981	1.0
119.08574	2.1
121.10103	0.8
122.07246	1.4
123.11702	1.2
125.05982	2.4
131.08595	1.2
131.90271	0.7
135.08041	1.1
135.11658	0.7
136.08847	0.8
137.09608	9.2
145.10103	1.1
149.09601	7.0
151.07494	1.9
159.11664	1.9
161.09602	0.9
163.11191	2.0
165.09094	100.0
166.09445	3.0
169.02821	0.6
172.08910	0.8
173.09616	1.2
173.13274	0.7
175.07503	0.8
176.08289	1.1
177.09094	3.8
177.12785	1.8
179.10637	1.5
187.11194	2.0
190.09856	2.8
191.10648	5.1
205.12222	22.6
214.04402	0.8
223.37354	0.7
361.04340	0.8
429.37296	13.9
430.37833	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.372
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03934	0.5
55.05493	2.6
57.07067	17.1
58.07407	0.5
67.05490	5.5
69.07059	3.7
69.38565	4.0
71.08620	13.8
79.05475	1.7
81.07039	8.4
83.04953	0.6
83.08596	2.6
85.10172	5.8
91.05447	2.2
93.07024	2.2
95.08590	6.3
97.10149	2.1
99.11734	0.7
105.07008	2.0
107.08575	5.6
109.10148	4.9
111.04405	1.3
111.11705	1.1
117.06996	1.0
119.08570	3.1
121.06495	1.1
121.10139	3.1
122.07249	1.3
123.08070	1.4
123.11707	1.3
125.13213	0.7
130.07774	0.6
131.08543	2.9
133.10089	1.4
135.08034	3.9
135.11653	2.1
137.08627	0.9
137.09595	10.0
137.13229	0.6
139.07484	2.2
145.10112	2.6
147.11678	0.7
149.09596	14.1
149.13225	0.8
151.07481	1.8
157.10117	0.6
159.08041	0.6
159.11676	2.8
160.08820	0.6
161.09581	0.8
162.06729	1.1
163.07480	0.8
163.10078	0.3
163.11148	20.5
165.09085	100.0
166.09470	2.4
173.09625	2.3
173.13203	2.0
175.07565	1.2
175.11151	5.8
176.08371	1.3
177.09090	10.5
177.12685	2.6
179.10632	1.3
186.10367	1.4
187.11110	2.8
187.14818	0.5
188.11836	0.5
189.09090	1.2
189.12732	2.3
190.09897	0.7
191.10643	10.4
191.14316	0.7
193.12196	0.9
201.12668	3.4
203.10634	1.7
203.14275	1.5
203.83846	0.5
204.11345	0.9
205.12210	10.5
215.14296	1.4
219.13792	6.3
229.15874	0.7
233.15276	2.6
247.16928	2.1
261.18448	1.2
275.19937	1.6
289.21533	2.1
303.23145	2.0
317.24765	1.4
331.26273	1.2
345.27774	0.8
359.29385	0.9
373.31039	0.8
383.36722	0.8
401.33902	2.6
411.36111	1.9
429.37207	68.4
430.37717	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	429.3357
Annotation	Tylopiol B
Peak:m/z	Relative Intensity
53.03936	4.6
53.53518	2.1
55.01868	3.5
55.05506	42.3
57.03426	6.1
57.07079	15.9
57.07319	3.4
62.38452	2.9
65.03950	2.7
67.05493	35.4
68.79829	2.5
69.03419	13.0
69.07061	53.3
69.63308	10.9
69.63741	8.6
70.07396	2.2
71.05006	3.6
71.08627	7.9
79.05491	29.2
81.03410	33.0
81.07047	72.0
83.04973	10.4
83.08607	34.6
85.02895	8.3
85.06522	4.5
85.10162	5.0
91.05450	21.6
93.07031	59.5
95.04927	12.8
95.08595	85.7
97.02885	18.9
97.06538	4.0
97.10159	33.9
99.04456	2.9
105.07026	21.0
107.08578	100.0
109.02893	5.0
109.06515	10.8
109.10143	64.2
111.04465	6.5
111.08038	4.1
111.11707	6.1
117.06976	2.4
119.08563	29.4
121.06487	9.2
121.10125	47.7
123.08078	9.0
123.11687	37.1
123.83810	2.6
125.13255	3.9
127.03928	4.8
131.08571	11.0
133.06561	2.5
133.10112	23.8
135.08043	19.0
135.11667	42.4
137.05995	3.2
137.09618	3.9
137.13231	18.1
143.08580	5.5
145.10085	11.3
147.08069	3.8
147.11662	19.7
149.09587	11.3
149.13245	35.1
151.07565	10.0
151.11079	2.9
151.14859	6.4
153.12859	3.1
157.10135	9.4
159.11678	13.8
161.09636	9.8
161.13275	7.9
163.11172	6.0
163.14792	31.2
165.05504	7.2
165.09193	3.5
165.16437	3.7
167.10744	2.6
169.10072	4.3
171.11659	3.8
173.13243	4.7
175.11201	10.2
175.14815	5.1
177.09067	13.7
177.12784	3.7
177.16394	9.5
179.10736	3.5
181.08640	5.4
181.12177	4.6
183.10170	3.0
187.11096	4.1
187.14742	4.1
189.16422	6.1
191.10680	8.7
191.17914	3.0
193.12209	24.0
195.10214	5.5
199.14859	4.4
203.18011	3.6
205.12242	7.4
207.10175	17.4
207.17456	2.7
211.13243	33.5
211.14894	3.0
215.17931	3.3
219.21147	3.1
223.13214	4.0
231.21074	3.1
233.22614	19.0
285.18494	5.7
287.20160	4.3
303.19601	9.8
305.21149	8.0
313.21613	3.3
315.23181	8.9
327.23489	4.1
329.25018	3.0
333.24307	7.5
341.24838	10.6
355.17297	2.9
359.25574	5.0
375.67224	2.7
383.32593	4.2
411.32532	8.7
429.21320	25.3
429.33545	84.4
430.21783	3.6
430.34030	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	429.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
51.83828	1.9
53.03922	5.6
53.36595	1.9
55.01852	5.3
55.05261	2.1
55.05500	24.5
57.03418	11.8
57.07067	19.2
58.19820	1.8
60.29961	1.8
61.02922	10.2
64.69468	2.0
67.05161	3.3
67.05493	37.6
69.03416	28.0
69.07060	59.1
71.01342	1.9
71.04967	7.5
71.08604	8.5
71.14391	3.2
73.02882	4.6
79.05484	21.3
80.39758	1.8
81.03401	22.7
81.07046	85.8
83.04979	11.5
83.08137	2.7
83.08610	38.6
85.02895	100.0
85.06535	60.5
85.10164	3.0
91.03880	1.9
91.05456	14.6
93.07030	32.2
93.58694	2.0
95.04960	16.6
95.08594	86.0
97.02874	23.5
97.06504	5.3
97.10152	28.5
99.04445	9.8
99.08070	6.2
103.03954	2.5
105.07012	20.1
107.04958	4.0
107.08578	31.2
109.02869	12.0
109.06501	7.6
109.10139	59.3
111.04429	8.6
111.08067	5.6
111.11716	18.4
113.06081	2.0
113.09612	2.7
115.03927	4.9
117.06992	7.6
119.08556	24.8
121.06475	8.0
121.10126	22.9
123.04390	5.0
123.08066	7.5
123.11694	37.9
125.05984	2.5
125.09591	4.8
125.13210	5.6
127.03905	17.9
129.05432	5.5
129.06966	4.5
131.08519	10.9
133.04877	4.2
133.06432	4.8
133.10112	16.8
135.08044	7.2
135.11674	18.8
137.05949	9.5
137.09578	3.2
137.13254	17.6
139.03882	3.0
139.11168	2.7
141.05391	2.5
143.08521	7.2
145.04950	7.4
145.10120	14.2
147.04359	2.4
147.08017	4.3
147.11632	16.9
149.09599	4.5
149.13228	12.6
151.07544	19.0
151.11153	3.6
151.14801	7.6
153.12675	2.6
157.10065	8.4
159.08034	3.5
159.11659	10.8
161.09586	5.2
161.13268	11.6
163.05994	2.6
163.07448	2.8
163.11200	7.0
163.14757	7.5
165.09056	4.2
165.12729	2.2
165.16313	3.4
167.06981	3.0
169.10059	3.1
171.11621	6.0
173.09583	3.5
173.13231	6.9
175.07536	2.8
175.11143	6.5
175.14751	5.7
177.09085	6.0
177.12796	4.0
177.16307	3.2
179.10693	2.3
179.17924	5.3
183.11662	3.4
185.13226	4.9
187.11102	3.2
187.14795	4.6
189.09052	2.9
189.12720	4.4
189.16315	4.9
191.10655	4.4
191.14301	4.4
191.17862	4.7
193.12196	8.7
193.19450	3.7
196.52188	1.8
197.13278	2.5
201.12669	2.1
203.17773	3.4
211.07140	2.4
211.13229	5.6
213.16393	2.5
215.10730	2.3
217.12164	2.7
217.19476	3.5
233.22667	2.6
235.13194	4.6
249.14775	2.3
249.25642	5.8
251.70984	2.3
261.25763	4.4
267.15903	4.1
267.26697	5.2
273.14822	2.9
273.22028	3.0
273.25623	4.5
277.25262	2.3
279.26788	16.2
285.16971	3.1
289.25195	2.6
291.26926	4.6
298.31250	1.9
309.16934	2.6
315.26923	2.2
345.28177	2.7
357.27722	8.0
375.28775	11.5
393.30136	10.2
411.24518	2.4
411.30014	7.9
429.20935	8.7
429.25711	3.7
429.30325	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	429.2992
Annotation	Chabrolohydroxybenzoquinone F
Peak:m/z	Relative Intensity
53.03938	2.6
55.01859	2.4
55.05258	1.3
55.05502	14.9
56.41457	1.2
57.03432	2.8
57.07055	2.7
62.79287	1.0
65.03923	1.7
67.05497	15.2
69.03417	3.1
69.07060	16.5
71.04969	3.1
73.06555	1.0
76.06702	1.1
79.05479	14.2
81.03437	5.6
81.07040	34.3
83.04957	6.6
83.08600	8.0
83.77349	1.1
85.02890	2.4
85.06532	9.2
91.05445	16.2
93.07031	37.7
95.04959	7.1
95.08594	45.6
97.02881	2.0
97.06513	13.0
97.10160	4.1
99.04442	8.0
99.08070	2.1
101.06001	3.8
103.05443	1.3
105.07018	29.8
107.08578	44.4
109.06508	10.3
109.10141	26.5
111.04460	2.5
111.08068	16.7
117.06981	5.3
119.08563	56.5
121.06494	13.6
121.10133	30.6
122.62866	1.1
123.08064	8.5
123.11690	12.4
125.09607	16.9
127.07510	6.1
128.06192	1.2
129.06967	3.6
130.07704	1.6
130.77658	1.3
131.08539	15.6
133.10112	45.9
135.08044	6.1
135.11674	22.7
137.05974	4.6
137.09602	7.9
137.13228	3.0
139.07501	14.2
141.07042	1.7
142.07771	2.5
143.08521	8.2
144.09325	2.5
145.06464	1.3
145.10098	26.1
145.11255	1.3
147.08028	2.7
147.11655	22.7
149.02332	2.5
149.09608	4.8
149.13272	11.8
151.07535	4.4
151.11162	4.4
153.09106	1.3
155.08507	1.8
156.09319	3.1
157.10103	15.9
158.10925	2.1
159.08049	2.8
159.11667	27.9
161.09612	6.4
161.13240	22.4
163.11163	7.0
163.14812	4.4
165.09097	2.5
165.12752	2.1
167.08490	1.5
167.10712	1.5
169.10143	5.5
170.10927	2.2
171.11708	14.1
172.08824	1.2
173.09631	3.5
173.13237	21.8
174.13872	1.5
175.11218	7.8
175.14795	51.1
177.09076	2.8
177.12735	7.2
177.16376	13.0
179.10678	3.5
179.14326	1.4
181.10164	2.0
181.12236	3.1
183.11630	6.8
184.12553	1.2
185.13246	12.1
187.11237	3.6
187.14784	20.0
189.12697	5.5
189.16356	14.8
191.10706	2.6
191.14273	3.1
191.18025	1.2
193.05002	2.5
193.12265	3.3
195.11705	3.5
195.13820	3.6
197.13229	7.0
198.13748	1.5
199.14786	9.7
201.12750	3.8
201.16383	17.6
203.10663	1.2
203.14305	6.0
203.17963	15.0
205.12225	3.5
205.15872	1.9
207.10089	1.9
207.11975	1.8
207.13837	4.0
209.11609	1.7
209.13341	3.3
209.15338	1.5
211.13075	2.2
211.14848	3.2
213.12741	1.6
213.16324	5.9
215.14348	3.6
215.17902	12.4
216.15096	4.6
217.12276	1.6
217.15909	5.2
217.19467	7.0
219.13791	4.0
221.13425	1.6
221.15376	2.0
223.12950	5.6
223.15099	2.2
225.16397	3.2
227.14383	1.5
227.17950	5.0
229.15843	2.4
229.19463	2.4
230.16650	2.4
231.13821	2.5
231.17496	3.5
233.15321	2.3
237.16557	2.7
239.14436	2.0
239.17932	1.5
241.14285	2.4
241.19630	2.0
245.22493	1.3
249.14807	1.7
253.19637	1.3
255.21062	10.1
256.21768	2.6
257.15518	1.7
257.18967	1.6
257.22910	1.5
259.17154	1.2
271.16785	2.7
271.20865	2.0
272.21277	1.2
273.22073	30.5
281.17462	2.5
283.20773	1.3
289.18292	1.3
365.28470	2.2
369.27948	1.5
373.23730	4.6
375.26819	1.8
383.29370	11.2
387.25284	5.0
393.23248	1.6
393.27887	20.2
411.28915	65.6
412.29492	2.0
429.11578	3.2
429.30048	100.0
430.30383	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	429.2114
Annotation	(-)-Sonchuside G
Peak:m/z	Relative Intensity
51.65585	0.8
53.03943	5.3
55.01854	3.9
55.05506	10.6
55.43214	0.9
57.03431	12.0
58.81101	0.9
58.86047	1.0
59.04995	1.8
61.02908	2.5
67.05495	13.8
69.03069	1.8
69.03420	25.6
69.07063	5.8
69.43005	10.2
70.06586	1.2
71.04984	8.2
73.02912	3.1
79.05061	1.0
79.05486	14.4
81.03408	67.7
81.07050	16.9
83.04970	18.2
83.08614	17.3
85.02894	24.2
85.06519	3.6
87.04465	3.2
91.05458	19.2
93.07030	13.2
95.04956	18.3
95.08576	6.1
97.02876	37.7
97.06516	5.9
97.10156	4.0
99.04439	6.2
101.02328	2.1
101.06001	1.2
103.03938	1.8
105.07030	15.5
106.02886	3.3
107.04948	7.1
107.08588	8.3
109.02859	14.3
109.06497	5.3
109.10136	3.1
111.04426	7.8
111.08075	10.0
113.05952	1.6
113.37742	1.0
115.03936	1.1
117.06987	2.3
119.04903	2.7
119.08547	10.9
121.06487	3.1
121.10130	7.2
123.04395	1.8
123.08038	3.0
123.11747	1.3
124.03941	3.6
125.05952	1.2
125.09596	2.0
127.03890	14.8
129.05458	4.6
129.06961	8.0
131.04951	2.0
131.08543	8.1
133.06506	3.9
133.10103	7.7
135.08061	2.9
135.11700	2.7
137.05963	1.8
137.09612	2.9
139.03951	1.6
141.05429	1.3
142.07770	2.3
143.08557	1.1
145.04918	2.4
145.06465	1.5
145.10118	4.1
147.04373	7.1
147.08070	4.0
147.11667	14.3
149.05991	2.0
149.09589	5.7
151.07529	1.7
151.11076	1.3
153.12712	1.8
157.10092	10.1
159.08046	1.7
161.05896	1.3
161.09612	1.5
162.48140	1.2
163.07486	1.2
163.11147	5.8
165.12700	3.1
171.11658	2.1
173.09613	1.4
175.11142	13.0
181.12212	2.8
183.06496	2.9
189.12744	3.9
191.10609	2.4
193.12222	43.7
201.07564	1.6
205.12221	1.6
207.13803	2.4
209.11528	1.5
211.13264	69.4
212.13560	2.1
227.12816	3.0
229.14404	4.9
235.13278	2.8
249.14792	8.9
250.07042	1.3
267.15878	9.9
268.08124	2.9
273.14783	1.7
273.27261	0.9
283.15601	1.4
285.16940	15.3
301.14331	1.4
309.17059	2.0
313.16418	1.5
337.16556	2.1
351.17795	1.5
355.17505	4.1
359.02884	1.2
371.16827	5.6
375.18158	1.2
393.19250	2.3
411.20047	7.0
429.21118	100.0
430.21359	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	12.0
55.01870	4.3
55.05503	15.7
56.23233	1.5
57.03425	18.1
57.07060	2.3
59.04994	2.0
61.02912	3.2
63.11205	1.5
65.05502	1.8
67.05493	19.9
69.03069	2.4
69.03416	33.8
69.07061	10.9
71.01319	2.1
71.04971	11.4
71.08600	1.7
73.02888	1.8
75.63475	1.8
79.05478	17.1
81.03404	81.1
81.07037	31.9
83.04969	23.8
83.08608	21.8
85.02895	26.4
85.06533	5.0
91.05448	25.4
93.07024	20.7
95.04961	20.8
95.08593	29.6
97.02875	55.5
97.06498	3.2
97.10149	6.4
99.04420	8.5
99.08118	2.3
103.05479	1.9
105.07008	21.4
107.04955	4.0
107.08567	22.9
109.02866	14.9
109.06492	4.4
109.10143	14.7
111.04417	9.1
111.08048	10.4
112.99982	18.6
115.05448	1.7
117.06995	4.8
119.07760	3.2
119.08553	28.3
121.06476	2.8
121.10137	22.6
123.08090	4.6
123.11700	8.2
125.09564	2.5
127.03902	13.3
127.11185	3.9
129.05475	5.8
129.06998	7.3
131.08560	11.4
133.06473	3.3
133.10095	19.2
135.08063	3.3
135.11690	15.7
137.05934	1.9
137.09618	4.3
137.13228	2.6
143.08546	3.4
145.10101	10.9
147.08090	4.3
147.11674	19.5
149.09593	7.4
149.13252	6.6
151.07538	2.2
151.11090	2.3
153.12761	2.0
157.10109	14.4
159.11665	8.1
161.09647	4.4
161.13283	7.7
163.11162	4.5
163.14850	4.2
165.12791	4.1
169.02571	22.3
169.10100	2.6
171.11650	5.0
173.09612	2.7
173.13280	5.9
175.11160	16.8
175.14818	7.2
177.12755	1.9
181.12228	4.2
185.13200	1.6
187.14778	3.1
189.12782	2.2
189.16342	6.1
191.10722	5.3
191.17976	2.7
193.12210	56.0
199.14832	2.6
201.16281	3.8
203.14432	2.5
203.17905	4.5
205.15953	2.7
211.13252	95.8
212.13600	2.0
213.16283	3.1
215.17877	2.0
215.39922	1.8
219.17311	2.3
227.12776	4.9
227.17876	2.0
229.14351	6.5
229.39603	2.6
236.96494	1.7
239.17896	2.1
249.14854	7.4
261.22232	4.6
267.15979	3.1
273.14365	2.1
285.16870	9.5
337.16541	2.7
352.36905	1.9
355.17569	6.5
393.27557	2.5
393.31937	2.5
411.20074	4.1
411.28656	6.9
411.33313	8.9
429.21158	100.0
429.34109	33.2
430.21646	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	429.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01864	2.6
55.05503	13.3
57.03432	14.4
57.07052	2.2
61.02907	2.1
67.05493	16.3
69.03421	30.6
69.07066	13.0
69.37675	3.4
69.38084	9.6
71.04980	11.2
73.02888	2.3
77.00616	1.3
79.05482	13.5
80.46131	1.2
81.03405	79.9
81.07046	26.1
83.01319	1.9
83.04969	21.4
83.08605	21.3
85.02426	1.3
85.02895	18.3
87.04453	2.6
91.05457	17.5
93.07030	21.2
95.04956	16.1
95.08593	31.7
97.02879	47.9
97.03505	3.0
97.06526	4.2
97.10134	5.2
99.04458	6.4
99.08092	3.7
105.07023	23.8
107.04929	4.0
107.08578	22.3
107.09738	1.2
109.02860	13.3
109.06508	3.7
109.09442	2.0
109.10146	22.5
111.04437	6.5
111.08051	8.0
113.05965	1.3
117.07003	2.6
119.08565	31.5
121.06488	2.2
121.10125	30.8
123.08031	3.4
123.11706	10.7
125.09586	2.6
127.03904	12.4
127.11157	5.6
129.05447	5.7
129.07013	7.6
129.09117	1.5
131.08524	8.3
133.06496	1.5
133.10117	25.7
135.11674	16.9
137.09602	3.3
137.13220	2.6
139.04228	4.0
143.08627	1.3
145.10060	7.0
147.08058	2.8
147.11688	19.5
147.64761	1.3
149.09601	5.4
149.13275	10.0
151.07510	2.1
153.12723	1.3
157.10104	9.2
159.11687	3.4
161.09619	1.4
161.13258	13.2
163.11183	2.9
163.14806	7.3
165.09032	2.3
165.12743	4.7
171.11665	2.1
173.13254	4.5
175.11182	11.8
175.14786	12.2
177.12903	1.6
177.16347	13.7
181.12238	2.2
185.13310	2.8
187.14828	4.3
189.16347	47.9
191.10684	4.0
191.17911	7.0
193.12209	46.7
193.15918	4.3
194.12578	2.0
201.16501	3.6
203.17917	18.7
211.13258	99.8
212.13588	2.4
215.18028	1.7
217.19521	4.0
221.19031	2.7
227.12769	5.2
229.14354	3.6
245.22520	1.5
249.14691	7.5
262.10727	1.3
271.24200	1.4
285.16888	6.9
313.16479	1.3
337.16241	1.9
355.17450	6.3
387.21490	1.4
411.20175	3.2
411.28577	2.3
411.36362	16.6
429.21173	100.0
429.32910	5.4
429.37875	8.5
430.21414	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.5
55.01859	3.7
55.05504	15.3
57.03428	18.9
57.07066	1.7
58.67530	1.1
61.02899	2.0
65.03922	2.3
67.05164	1.6
67.05493	20.8
69.03419	33.9
69.07055	9.4
70.43743	4.3
71.01338	1.7
71.04991	9.7
73.02921	1.3
74.46494	1.3
79.05479	17.2
81.03407	89.3
81.07041	32.4
83.01300	1.5
83.04970	22.9
83.08605	19.7
85.02892	29.2
85.06529	4.8
87.04459	2.3
91.05457	19.0
93.07026	19.8
95.04951	19.0
95.08586	19.4
97.02877	55.0
97.06525	6.0
97.10149	5.1
99.04439	10.8
99.08121	1.4
101.02395	1.9
105.07018	21.7
107.04932	5.4
107.08594	13.7
108.08147	1.1
109.02849	15.5
109.06521	7.9
109.10147	11.4
111.04411	9.4
111.08066	10.7
113.05978	1.3
115.05386	2.3
117.06996	2.7
119.08566	19.0
121.06476	3.9
121.10138	12.9
123.08039	4.0
123.11691	6.4
125.05959	4.6
125.09595	4.0
127.03904	16.7
129.05499	7.9
129.06964	5.8
131.08524	9.7
133.06529	1.5
133.10107	11.1
135.08012	3.1
135.11679	5.8
137.05952	3.8
137.09569	2.1
137.13251	3.1
139.03923	1.7
142.07758	2.4
143.08557	2.3
145.04959	2.3
145.06392	1.5
145.10069	7.3
147.08034	3.2
147.11658	21.9
149.02257	2.5
149.09602	8.3
149.13219	3.7
151.07483	6.7
151.11108	1.4
153.09070	1.4
153.12675	1.4
155.08508	1.9
157.10110	13.5
159.08031	1.6
159.11633	3.9
161.09601	3.1
161.13211	3.4
163.07545	1.3
163.11166	6.8
165.09093	2.4
165.12718	4.2
167.06949	1.6
171.08067	1.3
171.11604	3.7
173.09494	3.2
173.13246	1.8
173.64903	1.3
175.07571	1.8
175.11160	13.1
175.14819	2.6
177.09070	3.5
177.12744	1.9
181.12241	2.1
183.11682	2.0
185.13258	1.4
187.14783	1.9
189.08961	1.6
189.12679	3.0
189.16393	1.7
191.10646	5.6
191.14336	1.6
193.04951	2.3
193.12212	53.0
194.12592	1.9
199.14819	2.0
201.07715	1.4
203.14301	1.7
205.12221	1.8
209.11632	1.8
211.13249	100.0
212.13593	3.2
227.12686	5.8
229.14244	6.5
249.14905	8.7
267.15894	3.3
285.16782	7.6
301.14536	1.4
319.15128	1.2
337.16492	2.7
355.17459	6.9
356.18631	1.4
356.96481	1.3
359.02649	1.5
411.20178	3.0
411.29013	4.2
429.11618	3.0
429.21140	97.0
429.30093	11.7
430.21478	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	428.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80767	1.6
53.03932	2.5
53.57752	1.5
55.05507	3.3
56.05001	2.1
57.03428	5.8
57.07064	1.9
58.06586	4.0
59.04993	2.7
60.04519	3.8
61.02921	5.6
67.05502	3.6
69.03414	24.2
69.07061	2.6
69.90583	4.8
69.90979	3.7
70.06582	3.8
71.05001	2.2
72.04513	2.0
73.02902	3.6
74.06087	3.4
76.03991	2.2
79.05481	6.1
81.03419	9.2
81.07048	7.5
82.06577	4.2
83.04975	4.8
84.04488	13.4
84.08131	2.7
85.02888	41.0
85.06509	2.2
86.06062	3.5
91.05448	8.6
93.07026	10.4
94.06573	4.8
95.04965	6.3
95.08616	6.2
96.08139	2.2
97.02879	15.5
97.06542	1.9
98.06059	4.8
98.09689	2.6
99.04463	4.8
100.07634	4.9
101.05923	2.0
105.07001	21.6
107.04950	4.6
107.08588	7.4
108.08092	21.8
109.02885	6.2
109.06474	8.6
109.10174	2.9
110.06047	6.9
111.04433	2.9
112.07616	2.8
113.02361	1.8
116.07098	2.7
117.05499	2.8
117.07014	4.6
119.08562	19.0
121.06517	7.0
121.08897	1.7
121.09247	2.5
121.10105	23.9
122.06052	4.7
123.08088	6.9
123.11691	17.0
123.12517	2.4
124.03886	2.4
124.07583	4.8
125.09627	3.4
126.05510	22.5
127.03902	9.7
128.06203	2.0
129.05396	2.7
130.07756	2.6
131.07114	5.6
131.08582	7.0
132.08136	2.2
133.06520	3.8
133.10107	3.0
134.09694	2.1
135.07976	2.5
135.11687	2.6
136.07593	2.8
137.06007	3.2
137.09557	1.9
138.05475	1.7
138.09195	3.2
139.03929	3.7
140.07050	3.3
141.05536	2.1
142.05199	1.8
143.06990	1.8
143.08560	4.9
145.04976	3.8
145.08713	7.1
145.10138	15.2
145.10962	1.6
146.09671	6.5
147.06976	2.8
147.07985	11.9
147.11656	14.1
149.05934	2.0
149.09596	100.0
150.09149	3.1
156.09343	7.1
158.08170	3.1
158.09612	3.4
159.08101	2.3
159.11702	3.6
160.11214	2.8
161.08188	2.3
161.09578	4.3
162.12778	3.7
163.03935	2.1
163.11203	6.6
164.10750	5.6
167.10661	16.1
171.11720	6.7
172.11127	8.8
173.09644	4.7
178.06207	2.3
179.10655	2.0
186.07567	10.7
186.12810	5.3
187.06117	3.5
187.11195	4.4
188.14323	15.9
189.12720	30.6
190.12314	3.3
191.10683	2.3
192.10251	4.0
204.08641	40.3
204.10304	3.0
204.13803	10.3
205.12219	4.2
206.15338	11.1
207.13823	11.6
212.14384	3.9
214.12373	2.2
216.13957	1.7
222.09715	3.1
224.16522	2.6
225.14969	2.9
230.15375	32.6
230.17471	2.7
232.16837	2.9
248.12769	1.7
248.13803	3.2
248.16403	42.1
248.18829	2.7
249.14807	2.7
250.18117	2.9
262.62500	1.8
266.17487	54.9
266.20233	3.3
278.87466	1.6
368.20987	2.2
410.16531	1.7
410.21704	43.8
428.22922	94.7
432.56735	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05497	1.0
57.03427	5.3
61.02913	0.9
67.05488	1.3
69.03419	5.0
70.90768	1.3
70.91125	1.7
71.04979	32.1
73.06560	0.7
79.52866	0.7
80.81110	0.7
81.03419	3.9
81.07029	1.3
81.86615	0.7
83.23447	0.7
85.02885	4.8
85.06538	4.9
86.09663	0.7
87.04442	0.9
93.07028	1.1
94.98599	0.7
95.04947	2.1
97.02870	3.6
99.04422	2.3
101.06020	0.7
105.07035	1.2
107.04957	0.8
107.08624	0.9
109.02857	3.6
113.05987	7.0
117.05445	1.6
119.08601	0.9
121.10097	0.9
121.19287	0.7
124.07557	1.1
127.03902	4.6
127.07531	19.0
127.08461	1.2
131.04874	0.8
131.07016	22.2
133.10091	0.8
136.06242	0.7
137.05942	1.1
139.03914	1.4
140.04214	0.8
141.20653	0.9
143.07008	0.9
145.08572	100.0
146.08865	1.1
147.04376	1.1
149.09494	0.8
155.06963	1.0
163.03853	1.0
167.07060	1.1
173.08009	2.5
177.07599	1.8
182.04915	2.0
189.09013	0.7
191.09108	16.7
235.16351	0.7
257.10141	1.1
266.10712	1.1
266.13812	1.1
267.12213	1.2
299.11255	1.2
317.12204	2.8
335.13379	6.6
375.16373	3.4
428.17719	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01858	3.4
55.05510	9.1
55.96260	1.8
57.03431	36.2
57.07061	3.4
59.04997	50.5
61.02913	3.3
69.03125	1.9
69.03425	22.1
69.07071	2.8
69.55002	3.4
69.55412	14.8
70.06580	2.3
71.04982	7.4
73.02895	8.4
73.06545	7.4
79.05469	4.5
81.03391	8.8
81.07038	7.4
83.04950	3.8
84.04506	2.1
85.02898	38.3
86.03204	2.1
87.04450	2.9
88.22764	1.8
89.06023	2.3
91.05436	2.5
93.07024	3.2
95.04964	4.4
95.08591	3.1
97.02886	19.3
98.21455	3.9
99.04447	7.4
99.08083	14.7
101.05991	2.7
104.10735	2.1
105.07006	4.3
107.04932	2.2
107.08582	4.4
108.08163	1.8
109.02854	6.1
109.06483	2.0
109.10171	2.9
111.04419	5.3
114.79267	1.9
115.03919	7.3
115.07558	26.2
117.05505	9.2
117.09096	8.4
117.71275	1.9
119.08569	4.1
121.02915	2.3
121.10176	3.0
123.08080	3.2
124.07550	2.1
124.18351	2.0
127.03903	16.2
128.01610	2.4
129.05466	13.8
129.86967	1.9
131.04897	2.6
131.07030	55.8
131.08530	2.3
133.04953	7.4
133.10184	2.3
133.30650	1.9
134.11803	2.3
136.07530	4.5
137.05962	21.3
137.09509	2.9
138.06335	6.0
138.09207	2.2
143.07021	100.0
145.04927	14.1
145.10046	2.7
146.02664	4.5
147.04367	6.8
148.05818	2.0
149.09598	2.1
151.03896	2.9
161.05978	2.3
161.08098	19.5
161.09460	4.0
163.05972	6.0
163.07475	3.4
163.11125	2.3
164.06935	2.8
167.07040	4.1
177.07588	9.5
179.10635	2.2
189.12752	2.6
207.13982	2.2
231.10201	2.9
248.16501	4.4
266.17621	6.9
303.10556	2.8
305.12262	11.0
321.11722	4.1
357.95920	1.9
375.16513	5.2
393.17874	4.9
410.16702	4.4
428.17441	9.6
428.22928	4.9
429.21069	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	428.212
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	0.8
68.84057	0.5
69.03426	2.5
69.04890	0.5
69.60822	2.9
69.61230	1.2
71.04984	36.2
72.05296	0.6
81.03395	2.6
85.02908	3.0
85.06528	5.2
87.04456	0.7
95.04951	1.4
97.02882	4.1
99.04478	0.8
101.65534	0.5
103.07538	0.7
109.02840	1.6
113.05971	4.7
127.03905	3.7
127.07539	18.0
131.07019	12.0
145.04924	2.0
145.08580	100.0
146.08908	1.8
155.07043	1.1
173.08064	3.6
185.08113	0.6
191.09128	19.8
191.10806	1.2
193.12222	1.2
211.13313	1.2
245.10159	1.4
248.02669	0.5
257.10187	1.1
275.11322	0.7
317.12234	3.2
335.13358	8.0
375.16388	3.7
393.17529	1.6
428.18048	0.6
429.21130	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01855	0.6
55.05502	0.6
57.03422	0.6
57.07056	0.4
58.06576	0.6
58.15867	0.3
61.02916	0.4
67.05491	0.8
69.03422	3.1
69.07042	0.4
70.06579	1.0
71.04984	31.6
71.61727	0.5
71.65444	0.3
72.05308	0.5
73.02890	0.8
76.75248	0.4
79.05486	0.9
81.03420	3.1
81.07055	0.7
83.04955	0.7
85.02892	3.8
85.06534	5.6
86.09707	0.4
91.05460	1.1
93.07028	1.2
95.04960	1.8
95.08578	0.7
96.04490	0.4
96.08110	0.7
97.02889	4.6
97.06561	0.5
98.06027	0.4
99.04443	1.3
105.07000	1.5
107.04930	0.7
107.08578	1.5
109.02857	3.4
109.06532	1.0
109.10114	0.8
110.06033	0.7
113.02367	0.4
113.05981	5.4
114.05535	0.4
115.03857	0.4
119.08555	1.2
120.08111	0.4
121.06491	1.0
121.10136	0.5
123.08039	1.3
124.07581	1.2
125.07947	0.4
127.03925	2.8
127.07542	18.1
128.07878	0.5
129.05458	0.4
129.07033	0.4
131.04874	0.4
131.07027	7.5
133.06429	0.4
133.10109	1.0
135.04416	1.0
135.08009	0.5
135.11662	0.6
136.07585	0.5
137.09624	1.3
140.07008	1.0
141.05399	0.4
143.07004	0.4
145.04967	1.8
145.08580	100.0
146.08894	2.4
147.04408	0.7
149.05965	0.4
149.09604	0.7
153.01714	0.4
155.06940	0.4
159.11664	0.5
161.06029	0.5
161.08243	0.3
161.09550	1.0
161.13232	0.4
163.03879	0.6
163.11165	0.3
166.04951	0.6
167.06898	0.5
173.08110	2.3
175.11084	0.5
176.03416	1.0
176.20280	0.3
177.12715	0.8
184.07277	0.4
185.08081	0.6
186.07597	0.7
187.06044	0.6
187.11082	0.6
189.12784	1.1
191.09126	14.7
194.04486	0.4
204.08690	2.1
205.12222	1.0
207.13693	0.8
220.16765	0.4
222.14795	0.6
222.96333	0.4
223.13272	0.7
231.10135	0.6
231.13707	0.4
248.16481	6.4
257.10205	1.8
266.10156	0.4
266.17535	2.1
275.11267	0.8
291.34979	0.4
299.11212	0.7
317.12253	2.1
335.13287	5.3
410.21915	0.6
428.14743	0.5
428.23398	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	427.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01867	2.4
55.05505	18.7
57.07052	7.0
67.05495	30.8
69.03400	4.0
69.06705	3.4
69.07057	34.8
69.53631	18.6
70.72716	1.8
71.04980	4.4
71.08591	2.8
79.05470	21.5
81.03410	2.9
81.07046	75.8
82.07376	3.0
83.04961	5.8
83.08607	19.4
85.02889	2.7
85.06527	3.4
91.05460	23.6
93.06455	4.0
93.07028	58.7
95.04943	6.5
95.08591	100.0
97.06512	6.1
97.10161	7.6
97.37396	2.2
99.04471	1.9
99.08097	6.1
105.07018	50.3
106.07286	2.0
107.08582	80.9
109.06522	5.4
109.10143	64.5
110.10454	2.7
110.48427	2.0
111.08076	4.6
111.11682	3.2
117.07003	7.2
119.08560	72.1
121.06480	3.4
121.10123	76.6
122.10458	3.4
123.08035	7.3
123.11684	26.7
125.05972	2.0
125.09607	7.2
127.11131	3.9
129.06964	3.4
131.08543	20.3
132.08948	2.1
133.06465	2.8
133.10115	50.9
135.08015	6.9
135.11664	48.3
136.12041	3.3
137.05914	2.4
137.09587	4.3
137.13223	11.5
142.07784	2.3
143.08549	10.2
145.10091	34.8
147.08044	2.6
147.11679	46.9
149.09575	6.7
149.13240	48.3
151.07544	4.8
151.11130	4.0
151.14807	4.9
155.08496	2.9
157.10126	12.6
158.10762	1.9
159.11664	30.4
161.09642	2.6
161.13229	33.2
163.11157	8.2
163.14803	26.9
165.09076	4.0
165.12732	3.6
171.11711	12.1
172.12389	2.5
173.09612	4.5
173.13240	19.6
175.11185	7.2
175.14824	26.0
177.12749	14.9
177.16351	27.7
179.14276	6.5
183.11674	7.1
184.07455	2.7
185.13240	11.2
187.14795	32.4
189.12706	3.3
189.16348	39.3
191.10658	3.8
191.14323	4.7
191.17955	18.6
195.11708	2.3
195.13763	3.8
197.13158	3.0
199.14772	10.2
201.12564	3.0
201.16350	28.6
203.12648	2.3
203.14320	5.3
203.17912	54.9
205.15822	17.0
205.19507	4.3
207.13911	2.6
207.17393	12.8
211.14749	4.0
213.16391	9.4
215.14330	2.2
215.17961	10.4
217.15948	4.5
217.19550	6.3
219.14070	2.6
219.17409	8.9
219.21028	3.0
221.15224	2.4
223.16885	6.7
224.81114	2.1
225.16336	4.0
227.12723	2.1
227.17899	6.0
229.15869	3.2
229.19542	13.3
231.17438	5.5
231.21124	4.8
239.17966	3.9
241.19388	5.5
243.17401	2.4
243.21283	2.9
245.19044	7.2
247.20454	5.8
249.18518	2.2
253.19672	3.0
255.21053	4.6
257.22607	4.9
259.20499	4.0
263.19955	14.5
269.22238	2.3
271.24155	2.6
275.20059	3.4
277.21725	2.2
327.26761	2.2
337.95764	2.2
372.36676	2.3
381.27985	2.6
391.33701	5.7
409.26486	4.4
409.34985	38.3
427.19736	4.0
427.28510	3.2
427.29947	10.1
427.36407	85.2
428.37274	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	427.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01867	2.0
55.05500	9.2
57.03426	3.0
57.07067	7.2
67.05496	22.0
69.03425	5.7
69.07056	13.2
71.04976	3.4
71.08638	1.1
79.05474	11.2
81.03413	11.2
81.07046	73.2
82.07381	1.5
83.01367	0.8
83.04997	4.7
83.08605	6.9
85.02905	1.9
87.04445	0.9
91.05456	6.6
93.07031	20.9
95.04974	3.1
95.08595	100.0
96.08958	1.9
97.02877	4.4
97.06532	2.7
97.10147	4.3
99.04454	2.2
101.05973	1.1
105.07026	13.1
107.04942	1.1
107.08578	27.6
107.09283	1.5
108.08953	1.1
109.02871	2.7
109.06474	2.1
109.10141	32.0
110.10488	1.0
111.04448	2.2
111.08048	2.1
111.11719	1.1
116.86874	0.7
117.07033	2.9
119.08572	13.6
120.08907	0.8
121.06475	0.9
121.10126	20.3
122.10494	1.2
123.11695	24.3
125.09617	1.6
127.03938	3.6
128.50122	0.8
129.06947	1.4
131.08580	7.1
133.10117	13.4
135.08064	1.6
135.11678	24.5
137.09602	1.1
137.13237	62.7
138.13646	1.4
139.11159	1.1
143.08563	3.0
143.22490	0.9
145.10120	11.1
147.11664	9.6
149.09634	1.8
149.13242	10.6
151.11208	2.2
151.14825	3.8
153.12778	2.6
156.09305	1.0
157.10133	4.0
159.11696	8.4
161.09749	0.9
161.13251	7.2
163.11224	3.3
163.14816	5.4
165.09151	1.6
165.12793	1.1
169.10101	1.3
171.11691	4.0
173.13231	7.5
175.11189	1.0
175.14812	7.0
177.16365	4.1
179.17923	4.3
181.12279	2.7
183.11693	1.1
185.13263	4.1
187.11180	1.8
187.14763	6.5
189.12778	1.5
189.16356	6.2
191.10681	1.0
191.14333	2.3
191.17932	4.3
193.15909	1.9
193.19507	1.1
195.11816	1.1
199.14749	4.5
201.16362	6.4
203.10750	1.1
203.14362	1.2
203.17963	4.1
205.15857	3.6
205.19492	2.0
207.13902	0.9
207.17514	1.8
209.11639	1.1
209.15295	1.8
211.14908	1.7
213.16438	4.3
215.14427	0.9
215.17917	6.2
217.15942	1.4
217.19548	3.9
219.17412	0.9
225.16391	1.4
227.12750	4.8
227.18092	1.4
229.15982	1.6
229.19528	0.8
229.53044	1.0
231.17438	1.8
235.16914	1.0
239.17955	2.1
241.12558	0.8
241.19501	7.0
243.21124	2.5
247.16956	0.8
249.18517	1.3
253.19554	2.4
255.21175	3.0
257.19107	1.3
259.20554	6.0
267.21146	0.9
269.22672	0.8
271.20483	1.5
273.22284	1.1
275.19989	1.4
277.21640	4.0
281.65039	0.9
285.22128	0.8
289.21750	1.2
309.35074	0.9
353.15771	1.4
391.33670	3.5
393.35159	6.5
409.30139	1.3
409.34604	11.9
410.35553	1.0
427.19678	17.5
427.35809	33.9
428.19888	1.9
428.36090	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01222	1.0
55.05502	6.5
57.07042	3.2
65.03925	1.3
65.62428	1.1
67.05496	8.1
67.25327	1.1
69.07054	12.8
70.04623	3.0
70.05021	2.1
71.04981	6.8
79.05464	5.5
81.03381	1.2
81.07034	17.5
83.08596	5.0
87.17065	1.0
91.05447	7.2
93.07029	21.7
93.53046	1.2
95.04958	1.0
95.08588	22.4
97.06522	2.0
97.10123	1.0
99.08051	3.2
105.07011	19.1
107.08570	35.3
107.09284	2.2
109.10145	21.2
117.06959	3.8
119.08560	43.1
119.33208	1.0
120.08907	1.6
121.10120	36.5
123.07999	2.2
123.11691	11.3
125.09605	1.4
127.11155	11.2
129.06911	1.5
130.65372	1.1
131.08548	9.8
133.10107	59.3
134.10425	1.5
135.11662	36.5
137.09569	2.4
137.13214	5.3
143.08522	2.7
145.10104	20.8
146.10620	1.5
147.11665	28.6
149.09499	1.3
149.12157	1.9
149.13240	17.3
157.10077	4.3
158.10863	2.9
159.11649	15.5
160.12471	1.4
161.13219	16.0
162.13531	2.1
163.11206	1.8
163.14767	4.2
171.11664	6.3
172.12444	2.2
173.13243	23.6
175.14793	100.0
176.15189	2.6
177.16397	5.9
181.15755	1.1
185.13220	4.8
187.14780	24.8
189.16365	13.8
191.10588	1.1
191.14247	4.2
191.17836	2.8
193.15846	73.8
194.16150	1.9
197.13281	1.2
199.14748	1.9
201.12630	1.3
201.16356	11.7
203.17903	13.5
205.15848	12.0
207.17305	2.2
211.14735	1.4
213.16354	2.8
215.17946	8.0
217.19403	7.1
219.17393	7.5
221.18930	3.6
227.17883	3.7
229.19386	1.6
233.18916	6.5
235.20375	2.3
241.19423	4.1
243.20990	1.3
255.20990	1.2
269.22607	1.6
273.22302	1.4
287.23520	1.4
363.21829	1.1
391.33353	1.5
409.29599	2.2
409.34644	38.0
410.34894	2.6
427.27185	1.4
427.35861	28.6
428.36084	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07389	2.1
55.05496	15.6
57.03447	2.5
57.07060	5.8
59.04983	1.9
67.05495	24.6
67.55006	1.8
69.03418	3.8
69.06705	3.5
69.07055	36.2
69.07399	1.9
69.95602	4.0
69.96019	7.9
70.47546	1.8
71.04974	3.7
71.08607	3.9
79.05477	15.6
81.07043	57.5
83.04964	2.4
83.08597	18.2
85.06525	4.2
86.09691	27.2
89.06007	2.0
91.05460	23.3
93.07027	49.1
95.04951	6.8
95.08589	100.0
97.10155	8.1
99.08076	3.7
101.06010	2.2
105.06300	2.8
105.07008	52.5
105.41870	2.1
107.08576	66.4
108.08926	2.8
109.06516	7.2
109.10139	58.6
111.08062	5.8
117.07000	4.4
119.08558	58.4
121.06473	3.7
121.10120	66.1
121.85491	2.0
123.08065	7.8
123.11694	20.7
125.09604	3.4
127.11128	4.0
129.07018	3.5
131.08540	16.9
133.10103	49.8
135.08023	6.6
135.11664	37.5
137.09578	3.9
137.13232	8.1
139.07544	2.3
139.82314	2.2
143.08517	6.9
145.10095	31.9
145.11140	3.6
147.08052	3.6
147.11662	40.3
147.32663	2.1
149.09576	11.6
149.13223	32.4
151.07524	6.8
151.11157	3.3
157.10097	8.4
159.11668	27.1
161.09628	4.5
161.13237	34.9
163.11156	7.0
163.14793	35.1
164.15222	3.2
165.09114	2.4
165.12701	4.3
167.10698	2.2
169.10185	2.7
171.11691	5.8
173.13203	12.9
175.11116	5.0
175.14801	34.8
176.22916	2.3
177.12746	6.5
177.16354	30.3
183.11664	4.4
185.13289	4.8
186.14880	23.3
187.14777	28.1
189.12677	3.8
189.16338	33.3
190.16679	3.0
191.10654	2.7
191.14308	4.8
191.17923	34.0
193.12227	2.6
193.15964	2.5
195.13841	3.4
199.14723	6.2
201.16339	23.3
201.18039	3.1
203.14326	3.9
203.17926	88.6
205.15831	28.6
205.19476	6.0
207.17419	4.4
213.16377	7.5
214.14372	8.6
215.14211	2.1
215.17937	10.2
217.15840	3.6
217.19522	6.9
219.17358	11.3
221.15292	3.3
223.16884	12.3
225.16240	3.6
227.17888	4.4
229.19484	5.6
231.17342	5.2
231.21011	6.3
233.15286	2.4
233.19023	4.0
235.16934	2.5
237.18456	3.6
243.21106	3.1
249.18497	5.2
257.22568	3.3
259.20724	2.4
267.21033	2.0
277.21606	2.9
391.33575	6.8
399.28717	2.5
409.35056	33.7
427.18887	3.8
427.27921	5.7
427.36169	69.6
428.36447	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	427.3564
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03918	1.8
53.19103	1.3
55.05501	11.3
56.34134	1.4
57.03422	2.1
57.07076	9.2
63.85861	1.5
65.03915	1.6
67.05496	25.8
69.07062	20.0
71.04984	3.3
71.08615	2.1
71.62035	1.9
71.62482	2.5
73.06553	1.5
79.05489	16.8
81.03398	5.1
81.07046	71.8
81.87979	1.7
83.04937	2.5
83.08610	14.3
85.06541	9.1
91.05466	13.1
93.07032	28.5
95.04939	4.8
95.08594	100.0
96.08929	2.2
97.06486	3.2
97.10167	9.2
99.08067	4.2
105.07016	23.9
107.08584	35.6
109.06502	2.7
109.10149	45.1
111.08068	3.0
111.11700	2.7
117.07021	8.1
119.08562	29.0
120.08809	1.7
121.06403	1.9
121.10126	29.6
123.08012	2.2
123.11689	32.0
125.09628	3.0
127.11200	1.7
128.06224	2.2
129.06976	5.1
131.08560	17.3
133.06473	1.8
133.10120	24.0
135.08020	2.2
135.11690	28.5
137.09575	2.3
137.13232	54.7
137.96545	1.5
138.13596	2.2
139.11165	1.7
142.07751	2.0
143.08527	13.3
145.10103	21.2
146.10521	1.8
147.07985	2.8
147.11664	17.5
149.09593	3.7
149.13219	20.6
151.11154	1.5
151.14816	8.2
155.08516	4.5
157.10095	11.7
158.10576	1.5
159.08047	2.0
159.11684	19.2
161.09636	3.3
161.13225	14.6
163.11160	6.7
163.14807	8.9
165.12782	2.0
168.09445	2.0
169.10109	5.8
171.11703	11.3
173.13232	17.5
175.11176	4.2
175.14830	8.5
177.12773	5.2
177.16353	4.2
179.14278	1.9
179.17946	3.7
181.12169	4.7
183.11610	3.8
184.12354	1.5
185.13232	11.9
187.11238	3.0
187.14813	15.6
188.15250	1.7
189.12790	4.1
189.16379	7.7
191.14270	8.8
191.17937	9.5
193.12257	2.7
193.19460	1.6
197.13246	6.3
199.14795	12.9
201.12740	2.4
201.16333	10.1
203.14294	6.9
203.17969	9.3
205.15808	4.8
205.19472	9.8
209.15318	25.5
211.14769	5.3
213.16347	8.6
215.14296	3.8
215.17929	2.7
217.15892	6.5
217.19479	2.8
219.17427	3.8
219.21130	2.0
221.15381	3.6
225.16283	2.9
227.17944	5.3
229.15842	7.7
229.19548	3.7
231.17343	6.0
233.15497	2.5
235.16800	2.2
239.17937	4.4
241.19403	6.0
243.17426	2.7
245.19002	3.3
247.16922	7.1
247.20624	2.3
249.18687	2.2
253.19542	4.3
255.21103	2.7
257.18927	7.2
259.20502	6.4
267.21017	3.1
271.20474	7.0
276.12311	1.6
285.22144	2.3
379.33557	7.3
381.27460	2.3
391.33707	10.0
397.34482	5.5
409.26718	5.1
409.34763	42.1
410.34979	2.6
427.19543	2.7
427.27805	6.7
427.36151	66.7
428.36194	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	427.3566
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
50.80661	1.7
53.03941	3.3
55.01888	2.1
55.05503	12.4
57.03416	2.4
57.07079	5.1
67.05500	17.1
69.07055	21.7
69.28379	11.6
69.28810	7.2
71.05000	5.4
71.08643	1.9
74.02606	2.1
79.05482	10.4
81.03424	4.2
81.07047	39.8
83.05016	2.6
83.08598	10.9
85.06529	13.0
91.05461	14.4
93.07030	34.7
95.04961	2.2
95.08594	67.2
96.08952	3.4
97.02935	2.2
97.06531	3.3
97.10172	7.3
98.21429	3.9
99.04464	1.7
99.08086	3.7
105.07016	37.4
105.07638	2.7
107.08573	54.3
108.08966	3.3
109.06533	5.3
109.10141	40.0
111.08131	5.8
111.11670	4.0
115.54335	1.7
117.07008	4.2
119.08564	38.2
120.08966	2.6
121.10130	43.6
123.08124	5.3
123.11675	17.8
125.00092	1.6
125.09686	4.8
127.11223	4.3
129.07051	2.4
131.08560	13.0
133.10120	36.7
133.11044	3.0
135.08066	3.2
135.11668	36.6
137.09642	4.3
137.13243	8.1
143.08546	4.6
145.10109	22.1
147.11659	30.6
149.09570	2.4
149.13255	22.7
151.11194	2.1
153.12827	2.5
153.92577	1.8
157.09039	1.8
157.10089	8.1
159.11674	22.3
159.58020	1.9
161.13229	26.2
161.14380	2.2
162.13681	1.8
163.11208	4.6
163.14807	18.0
163.15846	1.7
165.09184	5.2
165.12700	1.7
169.08870	1.7
171.11780	6.7
173.09781	2.2
173.13260	15.6
175.11188	2.4
175.14810	13.4
177.12830	4.3
177.16353	13.0
179.14294	2.7
185.13361	4.9
187.14783	22.2
189.16330	30.4
191.14427	4.2
191.17902	34.0
193.16016	5.7
197.13297	2.7
199.14905	6.6
201.12738	3.7
201.16365	18.9
201.21605	1.7
203.14453	3.9
203.17897	17.8
205.12303	3.7
205.15866	24.6
205.19647	2.8
207.17416	14.2
211.14925	3.0
213.16487	6.3
215.18016	8.4
217.19434	8.6
219.13742	2.4
219.17554	6.5
221.15518	2.5
221.19250	2.0
227.18085	4.7
229.19670	5.1
241.19557	1.9
243.17668	2.1
243.21106	3.1
255.17397	2.0
255.21222	4.4
257.22745	1.9
259.20834	2.1
267.21213	2.6
269.22668	3.2
273.22394	2.3
273.73062	1.7
287.23581	2.2
331.26587	7.8
391.29562	2.7
391.33923	5.4
409.31003	7.0
409.35168	35.1
410.35675	2.9
427.19601	6.7
427.35965	100.0
428.36276	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88829	4.8
53.03925	5.7
55.01846	6.6
55.05507	31.6
57.03424	4.5
59.83795	3.7
66.38947	3.4
67.05495	64.4
69.03419	7.8
69.07059	24.9
71.04974	6.9
79.05482	57.4
81.03394	6.5
81.07044	100.0
83.04968	18.1
83.08593	13.5
85.02862	4.1
85.06525	10.9
91.05466	46.1
93.07031	85.4
95.04943	19.2
95.08592	79.3
97.02807	3.2
97.06496	8.8
97.10136	11.5
97.36716	3.9
99.04438	9.5
99.08071	4.6
105.07016	55.9
107.08585	61.7
109.06484	10.9
109.10142	29.8
111.08047	6.5
117.07008	19.6
119.08556	57.6
119.09357	6.8
121.06488	6.0
121.10135	53.5
123.08052	12.1
123.11678	11.8
125.09588	10.3
127.03770	5.4
129.06995	10.7
131.08534	49.3
133.10101	46.6
135.08020	12.4
135.11658	25.0
137.09644	7.3
139.11154	5.3
141.07024	4.0
142.07776	6.6
143.08543	20.2
145.10103	57.3
147.08073	3.7
147.11674	43.0
149.09650	7.4
149.13223	12.5
151.07437	3.8
151.11182	4.8
155.08505	8.4
157.10104	25.7
159.11658	30.8
161.09618	8.9
161.13248	18.1
163.11139	18.2
165.09119	5.6
165.12750	6.2
169.10112	12.2
171.11711	19.9
173.11914	4.8
173.13196	19.6
175.11160	9.4
175.14810	7.4
177.12642	6.1
181.10155	9.8
181.12196	12.3
183.11665	12.8
185.13219	16.8
187.11206	4.9
187.14789	17.7
189.12634	9.4
189.16342	18.3
191.14259	6.4
193.12181	8.8
195.11700	5.8
195.13646	7.6
197.13171	6.3
199.14825	11.9
201.12628	5.6
201.16318	7.5
203.14314	5.0
203.17937	5.3
207.13733	10.7
209.13306	5.9
211.14803	6.9
213.16374	7.7
215.14366	4.3
217.15907	9.5
221.15245	8.2
223.14919	5.6
225.16260	8.8
233.15350	6.0
235.16811	10.3
239.14180	4.0
247.16940	9.5
249.18414	8.3
261.18466	5.0
263.20065	4.6
275.20212	4.7
309.22110	6.4
311.23926	5.6
321.22067	4.4
337.25192	21.8
343.26187	20.0
349.25098	6.3
352.23788	4.5
355.26251	44.9
361.27243	12.6
367.26224	9.7
373.27365	36.9
379.28241	5.2
381.27750	10.0
391.28571	69.8
392.28662	5.7
409.27176	69.9
410.27518	4.9
427.19650	7.8
427.28146	85.8
428.28241	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46868	4.4
53.03932	5.8
55.05501	28.2
57.07047	4.4
67.05168	5.4
67.05499	80.3
69.03409	6.7
69.07076	23.0
71.04966	4.4
71.21030	8.3
75.56934	4.4
79.05479	55.9
81.03396	13.0
81.07045	100.0
83.04955	10.1
83.08610	26.6
85.06504	8.8
91.05466	51.5
93.07030	97.2
95.04962	11.8
95.08591	92.3
97.06542	11.8
97.10154	7.1
99.08092	4.8
105.07018	63.8
107.08582	71.0
108.08839	4.6
109.06491	10.2
109.10143	34.6
111.04516	5.5
111.08060	10.4
115.28170	4.7
116.06320	4.2
117.07005	20.8
119.08569	56.5
121.06481	5.5
121.10119	58.0
123.08060	5.9
123.11663	10.4
125.09608	5.0
129.06987	9.4
131.08574	37.9
133.10112	39.3
135.08046	9.1
135.10732	5.0
135.11699	26.1
137.09560	6.6
141.06979	5.5
143.08522	16.3
145.10091	42.4
147.11693	31.7
149.09509	6.4
149.13222	17.2
151.11102	5.0
155.08501	7.8
157.10104	20.7
159.11656	26.4
161.13217	17.3
163.11142	4.5
163.14693	8.4
165.12784	5.3
169.10075	11.5
171.11635	17.3
173.13196	16.9
175.11160	9.4
175.14778	7.4
177.12755	5.1
177.16446	7.3
181.18285	4.8
183.11766	9.3
185.13182	15.0
187.14771	10.6
189.12677	6.5
189.16319	9.2
193.12123	8.0
195.13702	10.0
197.13257	8.3
199.14737	12.9
201.16393	9.5
207.13792	5.7
209.13367	4.9
213.16367	8.4
217.15849	4.9
221.15352	6.2
223.16881	6.5
227.17883	4.7
229.16016	6.5
235.14742	5.9
235.16911	11.5
249.18465	11.1
261.18622	7.9
327.23199	5.8
337.25360	22.2
343.26260	12.1
355.26282	45.5
361.27316	15.4
373.27319	36.5
390.37769	6.0
391.28391	79.1
409.27118	12.5
427.28091	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52132	2.0
52.50445	1.7
53.03923	4.7
55.01857	9.2
55.05506	85.2
55.84657	1.8
56.56702	1.7
57.03421	21.9
59.04989	2.5
60.74755	2.0
67.05494	39.2
69.03413	10.6
69.06778	1.8
69.07064	22.3
69.64389	15.9
71.04963	6.9
79.05481	60.1
81.03407	99.7
81.07045	57.9
82.07412	2.2
83.04964	17.9
83.08131	3.6
83.08611	52.6
85.02893	29.1
85.06517	5.8
87.04459	2.3
91.04952	3.1
91.05469	35.5
93.07034	22.6
95.04960	33.6
95.08134	2.0
95.08601	20.7
96.27826	2.0
96.80956	2.1
97.02866	5.4
97.06508	6.8
97.10159	57.3
101.09639	2.6
105.07018	28.9
107.04945	7.3
107.08586	33.9
109.06512	7.6
109.10129	7.5
111.04432	2.1
111.08067	13.8
113.05974	2.7
117.06947	2.4
119.08561	26.2
121.06457	2.4
121.10104	14.0
123.08028	5.4
123.11692	5.9
125.09613	39.8
129.06990	13.0
131.08562	15.3
133.06519	3.8
133.10110	15.7
135.11710	3.0
137.09570	4.1
140.03030	2.5
142.07721	2.7
143.08510	3.1
143.10661	11.5
145.10095	6.9
147.08015	6.1
147.11652	24.3
149.09631	9.7
149.94470	2.1
151.07529	4.5
157.10118	23.0
159.11670	3.7
160.79826	2.0
165.12730	6.1
175.11134	17.4
177.12740	2.1
193.12224	95.1
199.13225	24.2
199.14735	2.6
211.11281	4.7
211.13266	77.0
217.14308	40.4
249.14789	2.7
251.18683	2.0
267.15875	50.2
285.16852	19.1
299.19772	2.8
303.28952	2.1
317.21072	9.1
321.47913	2.4
335.22012	14.9
409.25830	56.7
409.30383	2.1
410.26285	2.4
427.26926	100.0
428.27161	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	427.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15845	0.6
53.03925	1.4
55.05494	2.0
57.03432	11.5
59.04995	53.1
61.02920	1.1
67.05473	1.7
69.03107	0.8
69.03421	7.2
69.07073	1.5
70.06559	0.7
70.58046	1.5
70.58410	1.8
71.04979	5.0
73.02902	1.2
79.05467	0.9
81.03417	5.2
81.07029	1.7
83.04973	3.5
84.07578	0.7
85.02896	9.1
85.06532	2.7
87.04447	5.3
89.06055	1.1
90.71297	0.7
91.05488	0.8
93.07047	1.1
95.04967	0.9
95.08622	1.4
97.02878	6.8
97.10172	1.7
99.04426	5.3
99.08102	1.7
101.06008	21.8
107.08556	0.9
109.02859	2.9
111.04433	0.7
113.06100	0.9
115.03915	17.3
115.07538	0.9
117.05489	4.3
117.09106	1.1
119.07053	1.2
122.06065	1.1
123.04402	0.8
127.03910	7.0
127.79299	0.7
129.05463	100.0
131.07031	22.6
133.04996	1.0
137.05951	1.2
137.08086	2.7
143.07004	0.8
145.04948	2.9
147.06497	22.2
150.07747	17.0
153.01828	3.5
161.05969	0.9
163.03874	1.2
176.07010	1.0
177.07611	2.4
181.08655	0.8
222.07770	0.7
238.93806	0.7
242.08173	1.1
255.08617	1.1
257.08081	0.9
259.08115	1.0
265.15521	2.7
273.09763	5.2
283.30276	0.7
291.10715	6.7
295.11536	4.0
353.03262	0.7
391.16010	2.8
427.11566	2.0
427.19229	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	427.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81571	0.4
51.94439	0.4
53.03931	0.6
55.05499	1.1
57.03431	43.2
57.07078	0.6
58.03748	0.5
59.04995	8.8
67.05503	0.6
69.03412	3.1
69.07071	0.8
70.72073	1.5
71.04983	3.7
81.03408	3.9
81.07082	0.9
82.62568	0.6
83.04939	1.4
83.08614	0.9
85.02888	4.7
85.06512	0.9
87.04469	0.8
89.06033	2.8
95.08548	0.5
97.02872	5.7
97.10146	1.4
99.04436	9.1
101.06019	3.3
107.07068	1.0
109.02843	2.7
113.05992	1.5
113.91526	0.4
115.03918	2.2
115.07524	0.7
115.11172	1.3
117.05479	14.6
124.04019	0.5
127.03886	6.2
129.05470	15.7
129.09122	0.6
131.07024	100.0
132.07356	0.8
133.04967	0.7
135.11639	0.5
137.05965	0.7
137.08081	0.6
139.86871	0.5
141.05449	1.3
141.07024	0.6
145.04936	2.2
147.06516	2.1
150.07744	13.0
153.01814	2.1
159.06499	5.4
167.75215	0.5
177.07564	13.5
197.08124	0.6
200.01402	0.5
242.08266	0.7
257.07977	1.1
265.11655	0.6
265.15143	0.5
273.09607	0.7
285.09705	0.8
295.11487	3.3
303.10553	3.1
321.11740	4.0
391.16150	2.4
410.06570	0.6
427.11795	0.9
427.19281	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	427.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01848	1.1
55.05503	2.6
56.05021	0.5
57.03427	44.2
58.06592	0.9
59.04989	7.2
67.05482	1.0
69.03419	4.5
69.07059	0.8
70.06595	0.5
71.04982	3.8
71.61375	0.5
73.02904	0.9
73.06545	0.8
79.05475	0.7
81.03400	4.9
81.07044	1.1
83.04942	0.9
83.08596	0.6
85.02899	6.2
85.06518	1.0
87.04506	0.5
89.06016	4.4
91.05469	1.3
93.07061	0.6
95.04964	0.5
95.08580	1.5
97.02875	5.9
97.10138	2.0
99.04437	9.4
101.05983	1.6
106.63164	0.5
107.07052	1.1
109.02875	3.8
113.05964	0.9
115.03944	0.8
115.07565	2.8
115.11214	1.1
117.05475	16.7
119.08530	0.5
121.10130	0.6
121.88687	0.6
123.04427	1.3
124.07661	0.8
127.03888	5.6
129.05466	4.5
129.09109	1.2
131.07019	100.0
132.07359	1.6
133.10048	0.6
133.12184	0.6
135.04364	0.6
136.07588	0.6
141.05446	2.0
143.07007	9.2
145.04936	1.7
146.06004	0.8
147.06512	1.6
149.09547	0.7
150.07707	5.0
153.01729	1.2
159.06531	3.6
161.08119	1.1
163.11015	0.5
164.07104	0.6
167.07027	0.6
177.07559	8.9
185.08122	0.6
197.08026	0.5
209.04420	1.0
240.21481	0.5
243.08759	0.6
247.11656	1.2
247.16911	0.7
275.11249	2.5
285.09714	1.3
286.07144	1.0
295.11517	1.1
303.10706	1.7
321.11713	1.4
373.14890	1.7
391.15756	2.4
427.14603	1.5
427.19418	4.5
428.07382	0.6
428.14471	0.7
428.20187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16267	0.1
55.01857	0.2
55.05494	0.4
57.03429	1.3
57.04545	0.4
59.04985	0.5
67.05489	0.1
69.03422	0.2
69.07058	0.2
69.41486	0.5
69.41915	0.6
71.04970	0.3
79.05476	0.2
81.03393	0.2
83.08640	0.3
85.02896	0.5
94.04053	1.2
95.04945	0.2
96.05615	0.2
97.02885	0.2
97.10143	0.5
98.20657	0.2
99.04433	0.4
101.06037	0.3
106.04001	0.2
109.02844	0.1
111.04443	0.1
112.05096	0.2
115.03940	0.2
115.11215	0.2
117.05484	0.4
123.06654	0.6
127.03865	0.4
129.05440	0.8
129.09076	0.2
131.07022	3.0
133.05031	0.3
133.08578	0.2
135.05368	0.2
145.04887	0.1
147.06482	0.3
148.06155	0.1
150.07730	100.0
151.08162	1.4
151.09427	0.2
161.42426	0.1
166.27855	0.1
177.07605	0.2
282.11920	0.9
289.60217	0.1
295.11462	24.4
296.11734	0.5
322.39941	0.1
409.17401	0.2
427.14188	0.2
427.19449	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	427.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03935	1.3
55.01851	0.5
55.05502	1.1
55.96176	0.3
57.03428	2.1
59.04695	0.7
59.04992	12.7
59.06108	0.8
60.04524	0.6
60.28267	0.3
61.02919	0.6
67.05482	0.9
68.99771	0.4
69.03419	5.2
69.07056	1.2
70.06567	0.4
71.04980	2.5
71.05870	0.7
71.06226	0.4
71.63416	0.3
73.02907	0.8
79.01844	3.3
79.05497	0.8
80.38259	0.3
81.03407	8.8
81.07041	0.8
83.04967	1.3
85.02414	0.6
85.02895	6.5
85.06528	1.1
87.04460	1.0
91.05460	0.4
92.15161	0.4
93.07024	1.1
95.01394	0.5
95.04943	0.4
95.08584	1.2
97.02879	8.2
97.06528	0.7
97.10152	0.4
98.03275	0.4
99.04444	2.6
99.08074	0.8
101.06010	5.0
105.07032	1.0
107.01299	1.9
107.04953	0.7
107.08604	0.6
109.02852	6.5
109.06464	0.4
109.10142	0.4
111.04406	0.6
113.02356	23.8
113.05972	0.9
113.09604	0.4
115.03913	2.6
115.04585	0.5
115.07529	0.7
117.05468	3.0
119.08554	0.8
121.02826	0.6
121.06441	0.4
123.04408	1.0
124.07600	0.4
125.02339	3.1
127.03899	10.5
129.05466	25.1
131.07022	3.1
131.08525	0.4
133.10121	0.5
135.04448	0.4
135.08092	0.8
137.05983	0.6
139.03885	1.6
141.05438	0.6
141.09128	0.3
143.03387	5.5
145.04932	2.4
145.05937	0.3
145.10165	0.4
147.04500	0.4
147.06506	4.2
147.07610	0.5
147.08069	0.3
147.11726	0.4
149.06020	0.7
150.07736	17.4
153.01810	100.0
154.02141	1.5
159.06532	0.5
159.10164	0.5
159.11649	0.6
161.09665	0.6
163.03870	0.6
163.05983	0.8
171.02872	12.6
172.30972	0.3
175.07600	0.4
175.11130	0.5
179.03464	1.0
189.09047	0.4
191.03407	0.5
193.08583	0.4
201.12660	0.5
203.10660	0.5
207.06641	0.4
222.07663	0.4
247.06049	0.4
247.13469	1.0
265.07056	0.5
265.14236	3.1
273.09628	1.2
275.05573	0.7
287.05478	0.6
289.09436	0.5
291.10797	2.0
295.11417	4.4
297.06018	10.3
315.07077	5.4
316.06989	0.3
337.23523	0.3
391.15799	0.5
409.09177	0.7
427.11783	3.2
427.19632	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.377
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.82069	0.7
53.03934	1.1
55.05499	9.0
57.07059	3.5
57.52792	0.7
64.98235	0.8
65.03922	1.1
67.05491	15.6
69.07058	19.5
69.55886	1.8
69.56297	4.4
79.05480	8.0
81.07042	42.9
83.08612	7.4
91.05450	5.6
93.07024	22.7
95.04977	1.1
95.08591	82.4
96.08936	1.0
97.06512	1.8
97.10162	5.8
98.20720	1.1
99.08076	1.2
105.07016	16.9
107.08580	44.9
109.06498	1.2
109.10138	62.0
111.08064	2.9
111.11694	8.1
117.06978	1.3
119.07697	0.9
119.08563	29.4
121.10123	39.2
123.08077	1.8
123.11677	28.2
125.09624	1.2
127.11224	0.9
131.08575	3.8
133.10107	23.5
135.11667	31.9
137.09608	1.4
137.13231	18.5
138.81105	0.8
145.10101	8.0
147.11676	19.5
149.13234	21.0
151.11162	1.0
151.14763	2.1
156.09254	0.8
157.10062	1.7
159.11674	11.1
160.12451	1.2
161.13234	18.6
163.11151	0.8
163.14789	15.7
163.63812	0.8
165.12778	1.3
165.16385	0.9
171.11604	1.2
173.13228	7.6
175.14809	12.3
177.12811	0.9
177.16347	9.5
179.14305	3.5
179.17914	1.8
185.13191	2.0
185.56999	0.9
187.14819	6.1
189.16360	19.4
191.17920	27.9
193.15775	1.2
199.14801	1.5
201.16354	8.4
203.17935	17.0
205.15752	1.6
205.19467	12.8
207.17436	6.0
213.16367	1.9
215.17923	10.2
217.19498	13.5
219.17458	3.3
219.21077	2.1
227.17973	1.2
229.19432	6.1
231.20987	5.0
233.18958	3.1
241.19402	1.9
243.20985	8.2
245.22609	11.6
247.20517	12.9
254.00017	0.8
255.21062	3.5
257.22632	3.5
259.24277	2.4
261.22150	4.4
267.65875	1.0
269.22522	3.7
271.24176	5.4
273.22116	0.8
273.25500	1.0
283.24033	1.9
285.25757	2.9
287.23438	1.8
289.25232	1.0
295.23880	1.0
297.25781	1.5
301.25333	2.5
311.27271	1.9
315.26910	1.2
351.30078	0.9
365.31870	1.1
370.84631	0.9
407.36679	22.4
408.37152	1.0
425.37723	100.0
426.38138	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.377
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03935	1.4
55.05509	9.4
57.07064	9.7
67.05495	20.8
69.07055	22.2
69.41492	6.9
69.41914	4.4
71.08601	3.0
75.32973	1.3
79.05491	10.1
81.07043	65.3
83.08610	10.0
91.05465	10.7
93.07030	22.9
95.08595	100.0
97.06462	1.6
97.10146	3.0
98.21523	2.7
105.07008	24.7
107.08580	21.3
109.10141	33.3
111.11709	1.8
117.07031	4.3
119.08561	14.2
121.10115	17.7
121.10898	1.4
123.11690	25.3
129.07004	2.5
131.08562	9.0
132.38673	1.2
133.10109	16.3
135.11674	19.2
137.13235	48.2
143.08546	4.3
145.10109	14.6
147.11668	11.9
147.71881	1.3
149.13248	12.1
151.14871	3.4
152.34494	1.2
157.10141	4.9
159.11699	10.0
161.13231	8.6
163.14793	4.7
169.75890	1.4
171.11658	6.5
173.13232	7.3
175.14896	5.9
177.16315	6.6
179.17976	3.2
185.13260	5.0
187.14735	7.7
189.16336	9.0
191.14250	1.8
191.17929	10.4
193.15840	1.5
193.19580	1.7
199.14821	4.0
201.16435	8.6
202.16728	1.7
203.17941	6.9
205.15970	1.4
205.19560	4.6
207.17505	2.3
213.16249	6.0
215.17923	7.5
217.19499	8.8
219.17427	4.9
219.21230	1.3
227.17929	7.6
229.19508	5.1
233.19061	2.2
241.19421	1.9
242.76759	1.2
244.18979	1.2
245.19009	4.3
245.22641	1.5
255.21130	3.5
257.22708	3.7
259.24228	1.6
269.22729	4.5
273.22177	1.3
275.23630	2.5
283.24243	4.9
400.33609	1.3
407.36661	19.6
425.37805	40.2
426.38318	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3772
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03939	1.8
55.05499	16.3
57.01834	1.0
57.03434	1.3
57.07072	6.1
60.93923	1.0
67.05495	29.1
69.03412	1.6
69.07053	29.7
71.04964	2.5
71.08622	2.6
75.88302	1.0
79.05481	17.2
79.05910	0.8
81.07047	64.6
82.07381	1.2
83.04944	1.3
83.08608	13.4
85.06539	2.7
91.05466	15.8
93.07031	45.6
95.04956	2.3
95.08591	100.0
95.13660	0.8
97.06512	4.6
97.10161	7.9
98.20677	1.9
99.08070	1.3
105.07011	35.3
107.08577	67.6
108.08920	2.2
109.06514	1.9
109.10141	82.4
110.10471	1.6
111.08070	3.6
111.11695	3.7
112.31787	1.1
113.09642	1.2
117.06974	2.1
119.08564	44.1
121.06448	1.1
121.10124	56.0
122.10482	1.7
123.08044	3.5
123.11682	33.1
124.11967	1.3
125.09609	6.4
127.03894	1.7
127.11135	3.5
131.08542	8.5
131.61215	0.9
133.09090	1.8
133.10107	37.1
135.08075	1.5
135.11668	48.0
135.44514	1.0
136.11998	1.5
137.09601	1.9
137.13222	17.8
143.08522	4.7
144.09360	1.0
145.10117	16.8
147.11662	33.2
148.12065	1.2
149.09538	1.1
149.13229	32.0
150.13554	2.0
151.07489	1.3
151.11182	2.5
151.14819	2.9
155.08521	1.6
157.10060	3.7
158.10773	1.1
159.11696	21.0
160.12219	1.3
161.13226	26.2
162.13661	1.1
163.11180	1.8
163.14801	26.8
163.52104	1.1
165.12712	2.5
165.16351	1.3
167.68480	1.2
169.10072	1.2
171.11702	2.9
173.09319	0.9
173.13242	12.3
175.14810	16.4
177.12714	1.7
177.16350	11.9
179.14307	7.0
179.17923	1.3
183.11632	1.8
185.13222	3.5
187.14771	12.6
189.12744	1.5
189.16345	27.3
190.16780	1.7
191.14247	1.8
191.16173	2.3
191.17921	44.7
192.18326	1.8
193.15776	1.4
193.19580	1.1
197.13327	1.7
199.14764	5.0
201.16364	16.7
203.14246	1.3
203.17920	26.9
204.18279	1.6
205.15874	3.9
205.19528	11.5
207.17403	7.6
209.13258	1.5
211.14822	1.6
213.16374	2.7
214.91260	1.0
215.17952	12.4
217.15964	1.8
217.19475	29.1
219.17432	3.8
219.21075	4.5
221.18967	2.7
227.17915	2.2
229.19504	3.8
231.17615	1.1
231.20995	3.1
233.19066	5.0
235.16951	1.9
235.20604	3.7
241.19511	2.0
243.21092	4.0
245.04961	1.0
245.22638	2.8
251.19934	1.6
253.19626	1.4
255.21097	3.1
257.22598	4.1
259.24301	1.7
267.21228	2.0
269.22620	1.7
271.24228	2.9
273.22244	1.4
283.24353	1.3
285.25540	1.6
297.25507	2.5
299.27191	2.2
315.26910	1.3
351.30264	1.0
362.57578	1.1
369.31430	2.0
389.31552	1.9
407.32639	4.5
407.37225	13.2
408.37201	2.0
425.38254	55.8
426.38199	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	425.3772
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.94091	3.0
55.05495	10.6
57.07058	8.3
61.60264	3.4
65.58239	3.2
67.05489	24.9
69.07060	31.0
70.05077	11.7
70.05483	8.4
73.10011	3.4
73.71362	3.5
79.05468	11.0
79.41733	3.6
81.07040	69.9
81.54383	3.9
83.08603	15.7
86.09669	5.1
90.68137	3.5
91.05449	11.1
93.07030	40.1
95.08591	100.0
97.10132	7.2
105.07016	24.5
107.08578	58.6
109.10141	75.2
111.11700	6.7
117.07012	4.2
119.08564	48.3
121.10136	54.5
123.11694	33.0
131.08553	10.6
133.10086	38.7
135.11667	48.5
137.13219	27.5
145.10110	16.0
147.11659	25.4
149.13234	28.3
151.14824	4.2
159.11673	16.0
161.13263	23.1
163.14807	22.9
166.67740	3.5
173.13225	17.7
175.14795	25.1
177.16377	12.8
185.13225	4.5
187.14775	18.7
189.16399	19.7
191.17970	18.3
201.16335	13.4
202.16997	4.8
203.17906	18.3
205.19478	10.0
207.17346	8.4
215.17845	7.4
217.19482	12.4
229.19444	10.0
231.21039	10.5
243.21127	12.1
245.22566	10.2
255.21275	8.4
257.22629	6.9
261.22177	4.4
269.22531	7.0
271.24161	10.4
285.25714	7.8
287.23706	3.9
329.28232	6.1
407.36749	20.2
425.33163	5.6
425.37863	70.3
426.38339	5.5
448.80670	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3771
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.68773	1.3
53.03957	2.5
53.17768	1.6
53.61356	1.4
55.05255	2.3
55.05500	27.1
55.70160	1.5
57.07076	13.7
61.55915	1.5
67.05492	15.9
69.07059	37.7
69.64820	11.9
71.08611	5.3
79.05466	9.2
81.07037	34.7
83.08607	34.8
89.06024	1.9
91.05450	8.1
92.50418	1.5
93.07030	17.1
95.08588	46.5
97.10157	20.6
101.78526	1.6
103.69365	1.5
105.07021	18.9
107.08576	27.7
109.06485	1.8
109.10140	40.1
111.11699	5.0
119.08560	27.3
121.10117	22.9
123.11662	17.9
125.09616	2.7
131.08549	11.0
133.10101	18.4
133.10948	2.0
135.11662	22.0
135.12579	2.3
137.13226	7.2
143.08542	7.1
145.10107	18.5
147.11661	25.4
149.13232	14.5
151.14851	2.2
153.47072	1.5
157.10107	7.4
159.11668	19.5
161.13205	19.6
162.13483	1.7
163.14821	7.0
171.11636	10.2
173.13275	12.2
175.14767	10.9
177.16359	5.8
183.11603	2.2
185.13219	7.4
187.14850	8.1
189.16350	9.1
191.17885	8.7
197.13245	2.2
199.14778	8.9
201.16357	6.0
203.17868	7.6
205.19499	2.7
211.14786	2.3
211.80023	1.6
213.16296	15.4
214.17097	2.7
215.17885	7.7
217.19438	4.1
225.16321	4.2
226.17148	4.8
227.17863	7.3
229.19484	6.8
231.21074	2.0
239.17989	8.6
241.19398	5.6
243.20953	2.7
245.22638	2.5
247.20561	2.2
254.20253	15.4
255.21037	15.7
257.22592	2.4
259.20575	2.4
267.21042	3.3
269.22592	100.0
270.22955	4.5
271.20636	1.6
271.24084	2.9
273.22067	16.6
283.24356	3.3
285.22342	2.2
285.25699	4.3
287.23639	88.5
288.23898	2.9
297.25632	2.7
313.25082	2.6
315.26892	2.8
329.29233	1.4
367.38144	1.8
407.36780	21.7
408.36682	2.3
425.32916	3.9
425.38297	36.4
426.38165	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3771
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05507	15.6
57.07064	7.0
67.05494	26.7
69.07053	26.9
69.32494	9.9
69.32919	7.6
71.08612	2.1
72.94849	1.4
78.04291	1.9
79.05476	16.1
79.83734	1.5
81.07046	55.5
83.08591	12.2
88.72778	1.6
91.05473	13.4
93.07030	45.4
94.16929	1.9
95.08593	100.0
96.08945	1.9
97.06518	2.6
97.10140	10.1
98.20887	6.0
105.07015	28.9
107.08579	61.0
109.10137	61.1
111.08091	2.0
111.11668	4.1
117.07005	3.4
119.08571	37.1
121.10120	48.8
123.08023	2.0
123.11691	26.1
124.12025	1.8
125.09620	2.6
131.08563	7.4
133.10112	28.8
135.11676	37.2
137.13239	17.8
139.11143	2.1
143.08620	2.5
145.10091	13.8
147.11676	27.2
149.13235	38.3
151.14812	2.6
157.10132	2.7
159.11658	15.2
161.13223	26.6
163.11076	1.9
163.14798	23.7
165.12808	2.2
171.11700	2.7
173.13214	8.6
174.48129	1.7
175.14821	16.5
177.16360	15.3
179.14301	6.5
187.14796	13.3
189.16373	19.8
191.17918	50.7
193.15874	2.1
199.14722	2.1
199.98672	1.8
201.16394	8.3
203.17935	26.2
203.92526	1.7
205.19496	15.3
207.17485	2.5
215.17955	9.8
217.15929	2.7
217.19482	27.9
219.17503	2.5
219.20975	2.0
221.18942	3.3
227.17900	3.1
229.19499	7.9
231.21036	8.9
233.18982	6.0
235.20650	8.6
243.20993	2.7
245.22647	7.0
247.20503	2.9
247.24217	2.0
255.21132	3.2
257.22617	3.7
259.24219	2.7
269.22766	3.8
281.23001	2.0
318.92126	1.9
397.38364	2.7
407.36972	16.8
425.33026	3.4
425.38214	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91395	1.8
53.03931	2.5
55.05500	16.9
57.07064	11.0
65.03941	1.9
67.05125	1.6
67.05489	34.2
68.56254	1.7
69.07057	54.3
71.04975	10.8
71.08640	3.4
74.73831	1.8
79.05476	17.4
81.07049	71.5
83.04972	2.2
83.08601	22.4
85.06532	16.6
85.10176	2.3
87.04475	3.0
89.06015	3.4
91.05459	18.2
93.06456	3.2
93.07034	48.3
95.04969	3.5
95.08591	95.1
96.08919	2.2
97.06509	4.8
97.10141	10.4
98.20650	2.4
99.08073	1.8
104.57820	1.6
104.80080	1.6
105.07009	40.7
105.07666	3.1
107.08579	74.2
109.06516	2.5
109.10145	76.4
110.16110	1.5
111.08066	5.3
111.11722	4.9
115.05377	1.7
116.40189	1.4
117.07034	4.7
119.08566	51.1
121.06481	14.9
121.10126	56.3
123.08083	3.1
123.11683	34.0
125.09686	2.0
128.06213	2.1
129.06979	3.0
131.08540	14.0
131.21361	1.5
133.06418	1.8
133.08624	1.6
133.10120	35.6
135.08076	3.1
135.11681	36.6
136.12013	1.8
137.09586	6.1
137.13232	19.9
139.11176	3.3
141.08134	1.6
143.08563	6.3
145.10092	26.5
147.07991	3.3
147.11659	36.4
148.12065	1.7
149.09601	54.0
149.13229	26.8
150.10011	1.8
151.11166	4.2
151.14839	4.7
153.12727	4.8
157.10100	10.9
158.10829	2.2
159.11661	23.3
161.09650	7.9
161.13229	28.3
161.14413	1.1
163.07819	1.5
163.11186	4.0
163.14803	33.8
163.16086	2.9
165.09084	2.0
165.12811	2.9
171.11746	7.5
173.13231	14.5
175.11223	2.2
175.14804	15.9
177.12724	4.7
177.16335	9.0
179.14279	6.4
183.11621	3.4
185.13194	9.9
187.14751	15.6
189.16360	14.7
191.14288	44.4
191.17928	13.0
192.14668	1.8
193.15889	10.6
199.14825	8.7
201.16302	10.0
203.14307	14.0
203.17950	16.9
205.15858	25.6
205.19507	5.8
207.17450	5.2
211.14806	1.8
213.16391	6.0
215.17915	6.5
217.15828	4.8
217.19444	11.3
219.17445	7.2
219.21098	7.5
221.18999	5.2
227.17987	2.9
229.19589	4.1
229.31329	2.0
231.17458	1.7
231.20952	3.3
233.18987	3.7
235.20633	3.1
239.14880	2.1
239.17926	2.0
241.19528	3.6
243.20952	3.0
245.19008	2.3
247.20569	1.8
255.21169	5.1
257.22308	1.9
259.20523	3.4
261.22150	2.5
269.22583	3.2
271.20651	1.8
271.23978	3.2
273.22052	2.0
283.24228	2.3
285.25903	2.4
287.23816	3.3
313.25162	2.6
343.29883	4.8
369.31445	13.0
407.33142	6.5
407.37427	2.9
425.21967	9.0
425.38245	100.0
426.38528	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	425.3772
Annotation	Fern 9(11)-en-12-one
Peak:m/z	Relative Intensity
53.03927	3.3
55.01859	2.3
55.05502	23.2
57.07069	10.8
66.11963	2.0
66.28605	2.0
67.05491	35.6
68.92297	1.6
69.07057	65.5
69.73087	10.7
71.04981	15.7
71.08615	4.7
75.24165	1.7
78.04765	1.5
79.05478	22.2
81.07044	76.3
83.04945	3.5
83.08605	20.7
85.06060	2.7
85.06532	37.4
91.05466	17.2
93.07032	47.9
95.04926	2.7
95.08595	93.0
96.08937	2.2
97.02894	2.4
97.06521	9.0
97.10156	13.4
99.08068	3.7
105.06294	2.4
105.07007	41.0
107.08578	66.6
109.06499	2.7
109.10139	93.0
110.10420	2.2
111.08041	6.6
111.11693	6.3
113.09610	6.0
117.06985	4.8
119.08562	46.5
121.06452	2.0
121.09302	3.4
121.10123	51.4
121.11005	2.5
123.08031	4.1
123.11691	36.9
125.09628	5.1
128.06198	2.0
129.06940	3.8
131.08525	19.1
133.10110	46.0
135.11671	41.4
136.12019	2.6
137.09605	9.7
137.13231	19.8
139.11160	13.8
142.07813	2.5
143.08534	10.1
145.10097	39.9
146.10645	2.8
147.11659	31.0
149.13242	32.4
151.11182	3.7
151.14793	5.6
153.12753	4.1
157.10100	13.0
158.10844	2.2
159.11662	28.9
161.13234	24.6
163.11125	3.1
163.14787	28.1
165.12709	4.9
169.10182	4.3
171.11665	12.2
173.13248	24.9
175.14813	22.0
177.12714	3.2
177.16374	9.7
179.14290	5.6
181.15950	2.1
183.11659	3.8
184.07292	2.1
185.13240	13.8
187.14774	20.1
188.15378	2.3
189.16380	22.5
191.14279	10.5
191.17943	12.1
193.15834	5.2
197.13235	5.0
199.14789	12.2
201.12685	2.6
201.16330	14.9
203.14278	6.3
203.17932	14.0
204.48151	1.8
205.15881	9.4
205.19537	6.6
207.17534	4.9
211.14708	2.5
213.16353	7.2
215.17982	10.9
217.15875	4.3
217.19473	14.2
219.17378	6.5
219.21254	1.9
225.16393	3.0
227.17868	8.9
229.15796	2.7
229.19461	9.2
231.17430	4.2
231.21046	3.1
233.18967	3.8
241.19475	5.9
243.21001	7.7
245.18921	2.6
245.22762	4.2
247.20572	7.5
253.19342	4.0
255.20975	6.0
257.22607	4.9
259.20557	5.7
259.24130	2.2
263.23389	1.6
269.22617	6.0
271.20441	5.1
271.24026	3.3
273.22034	4.1
273.25983	1.6
283.24121	6.1
285.25842	2.5
287.23666	4.4
297.25681	3.5
299.27325	2.8
301.25104	3.8
311.27255	4.1
313.25354	2.7
315.26627	3.5
325.28735	2.5
343.29910	4.8
355.29837	2.5
369.31424	3.9
383.33121	2.6
387.07019	1.9
407.32437	12.1
407.36771	6.6
408.33578	3.6
425.33142	19.0
425.38412	100.0
426.33514	3.1
426.38263	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3771
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03931	3.9
55.05502	22.7
57.03388	1.7
57.07075	13.2
63.33579	1.7
65.03905	2.0
67.05496	43.7
69.03404	1.8
69.06714	3.1
69.07059	47.1
69.54471	1.5
70.02139	1.6
71.04978	8.4
71.08618	5.7
71.54448	3.8
75.09260	1.5
79.05483	19.9
81.07045	76.4
83.04967	2.6
83.08605	23.6
85.06529	22.2
91.05473	16.8
93.07030	48.6
95.04935	3.4
95.08594	100.0
96.08929	2.0
97.06505	7.4
97.10164	12.7
105.07012	43.2
107.08578	72.1
108.08910	1.9
109.06510	3.9
109.10142	93.6
111.08072	6.2
111.11700	7.0
117.07010	4.6
119.08566	62.6
121.10135	56.9
123.08059	2.4
123.11688	40.0
125.09599	5.4
131.08560	15.0
133.09102	2.7
133.10106	48.7
135.08028	3.8
135.11671	46.0
137.09563	2.7
137.13210	15.0
139.11127	4.3
143.08557	8.3
145.10109	27.3
147.11678	38.9
149.13240	34.0
151.11176	4.1
151.14792	4.6
153.12746	2.4
155.08488	3.7
157.10081	11.6
159.11664	36.0
159.47508	1.9
161.09668	2.8
161.13243	33.7
163.11157	3.4
163.14798	21.4
165.12643	2.8
165.16312	2.2
169.10152	3.6
171.11673	10.5
173.13219	19.7
175.11218	2.3
175.14819	21.6
177.12665	4.7
177.16388	12.9
179.14268	4.1
183.11691	4.3
185.13275	9.9
187.14792	14.7
189.12692	2.0
189.16354	23.7
191.14223	5.1
191.17920	23.1
193.15822	4.4
197.13232	4.5
199.14763	8.6
201.12679	1.9
201.16364	19.1
203.14307	8.7
203.17941	30.8
205.15901	5.0
205.19576	10.8
205.21230	1.5
207.17424	6.4
211.14737	3.7
213.16345	7.2
215.17932	13.7
217.15837	2.6
217.19473	23.7
219.17464	5.8
219.21037	3.1
221.18938	5.1
225.16385	2.8
227.17915	4.8
229.19493	6.8
231.21092	2.6
233.18993	4.7
235.17009	2.3
235.20625	3.2
239.17778	2.3
241.19550	3.6
243.21059	4.2
245.22461	1.8
246.08995	1.6
247.20586	3.7
255.20969	3.1
257.22620	3.3
259.20572	2.8
269.22485	3.7
271.20633	2.6
271.24048	4.4
273.22125	2.7
281.22571	2.3
283.24118	3.5
297.25534	4.1
299.23535	2.0
301.25098	2.2
311.27164	2.0
313.28845	2.7
315.26749	2.6
325.29028	3.2
355.29886	2.1
369.31534	3.4
377.66141	1.8
384.57523	1.7
407.32330	11.0
407.36841	8.9
425.33176	15.9
425.38516	77.2
426.38452	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69391	1.3
53.03923	2.2
55.05507	21.5
57.03415	1.6
57.07068	7.2
62.48728	1.3
65.03924	2.2
67.05166	2.6
67.05497	34.8
69.06721	2.3
69.07062	31.0
70.20108	7.2
71.04963	6.6
71.08623	3.1
79.05486	16.4
81.07050	55.4
82.07378	1.6
83.04938	2.4
83.08610	16.8
85.06536	16.7
91.05463	17.6
93.07033	37.5
95.04961	1.5
95.08597	70.1
96.08904	1.9
97.06504	6.0
97.10141	9.5
97.72581	1.4
98.12463	1.5
98.21342	1.6
99.08094	3.2
105.07021	35.2
107.07845	3.1
107.08585	54.8
109.10146	100.0
110.10495	2.5
111.08083	3.5
111.11716	4.0
113.09664	1.6
117.07004	3.0
119.07782	2.9
119.08570	37.3
121.06470	1.6
121.10130	43.5
123.08029	3.8
123.11688	20.8
124.12032	1.5
125.09591	3.5
131.08575	12.1
133.09222	2.6
133.10121	33.9
134.10428	1.9
135.10669	2.7
135.11678	35.3
137.13206	10.4
139.11145	2.4
143.08565	5.0
144.09326	2.3
145.10091	20.4
146.10493	1.4
147.10509	2.1
147.11678	32.2
149.09589	2.1
149.13246	25.0
151.11116	2.9
151.14815	2.8
157.10083	7.2
158.10797	2.6
159.11673	23.0
160.12280	1.5
161.09566	1.7
161.13251	22.6
163.11119	2.3
163.14818	16.4
165.12767	2.1
171.11664	5.8
173.13225	14.2
175.11208	1.9
175.14804	16.0
177.12692	2.0
177.16370	13.0
179.14290	5.5
183.11623	2.2
185.13240	6.8
187.14799	12.9
188.15114	1.9
189.12715	1.7
189.16356	20.0
190.16655	1.7
191.14294	2.9
191.17903	15.1
193.15813	5.5
197.13292	2.8
199.14793	5.8
201.16391	13.4
203.14259	3.0
203.17937	20.4
205.15927	7.1
205.19513	7.3
206.69807	1.5
207.17407	6.1
209.19112	1.6
211.14825	1.9
213.16336	4.4
215.17944	8.7
217.15836	3.5
217.19478	16.8
219.17482	2.8
219.21114	1.8
221.19058	2.7
227.17953	3.3
229.19440	2.5
231.21031	3.6
233.19031	3.1
241.19553	3.2
243.20903	3.7
245.22691	1.9
255.21126	2.2
259.20450	2.3
269.22552	3.5
271.20703	1.7
273.21930	2.5
287.23764	2.8
299.27139	1.7
301.21448	1.7
315.26743	2.3
333.13373	1.8
333.27914	2.3
369.31589	3.8
389.32214	2.2
407.32657	5.4
407.36679	9.5
425.18021	2.9
425.33478	25.6
425.37683	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	425.3768
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.92569	0.8
53.03934	1.5
53.68663	0.8
55.05499	9.2
57.07063	4.4
58.95999	0.9
65.03909	2.0
65.98965	0.8
66.91650	1.0
67.05492	30.9
69.03406	1.1
69.06718	1.6
69.07056	20.6
69.36507	0.8
71.04967	1.9
71.08610	1.6
72.76805	0.8
79.05478	8.8
79.66040	0.8
81.07040	41.9
82.07358	0.8
83.04966	1.0
83.08600	8.1
91.05466	11.6
93.07024	26.7
95.04938	2.0
95.08588	49.0
97.06471	1.5
97.10146	4.9
98.20731	2.9
105.07006	24.7
107.08575	42.7
109.10133	100.0
110.10496	1.1
111.08044	3.3
111.11685	2.1
117.06999	1.6
119.08559	32.4
121.10120	31.3
122.10377	1.1
123.08044	2.2
123.11687	19.7
125.09641	2.0
127.11125	1.2
127.22771	0.9
131.08549	6.7
133.10109	25.5
135.08043	1.3
135.11659	27.7
137.13243	9.7
142.07695	0.9
143.08559	1.9
145.10103	10.7
147.11653	24.9
148.11987	1.0
149.13219	17.6
151.11185	2.2
151.14790	1.0
157.10101	3.0
159.11659	11.5
160.12422	1.1
161.13222	21.1
162.13634	1.4
163.14796	11.5
165.12717	1.8
167.08492	1.1
171.11641	2.5
173.13228	9.3
175.14775	11.3
177.16393	5.4
179.14270	3.8
183.11649	1.2
185.13260	2.2
187.14737	7.3
189.16348	16.6
191.14291	1.2
191.17911	15.7
199.14815	1.9
201.16354	8.5
203.14258	2.2
203.17915	21.9
205.15811	2.3
205.19408	6.0
207.17397	9.2
213.16290	2.8
215.17914	10.3
217.19489	21.1
219.17331	1.6
219.21001	2.0
221.19035	2.1
225.16365	1.3
227.18008	1.2
229.19470	2.7
231.20972	1.5
233.18936	1.6
241.19537	1.6
243.21024	2.7
245.22598	2.2
255.21004	3.4
257.22641	2.5
269.22449	1.5
271.24194	1.0
273.21979	1.2
283.24088	2.2
285.25696	2.5
295.24115	1.1
297.25552	1.4
299.27335	1.0
315.26794	1.9
325.28787	1.2
334.44180	1.0
351.30185	1.6
369.31622	1.2
407.36972	15.5
425.38202	38.3
426.38287	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3772
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.02376	1.3
53.03945	1.6
54.71674	1.4
55.05501	15.8
57.07065	5.3
57.71743	1.1
65.03939	1.8
67.05495	29.8
69.07059	35.8
69.68808	8.5
71.04990	2.5
71.08636	3.0
79.05481	17.7
79.09385	1.2
81.07043	60.3
83.08612	16.3
84.55693	1.1
86.09711	1.2
87.83773	1.2
91.05460	15.8
93.07028	44.9
93.91649	1.2
95.04974	1.6
95.08591	100.0
96.08919	1.5
97.06538	3.9
97.10149	9.9
98.21510	2.1
105.07014	53.7
107.08576	75.9
109.06540	2.1
109.10140	71.6
110.10532	1.9
111.08080	1.5
111.11687	7.0
113.55551	1.3
117.07014	2.3
117.87189	1.3
119.08566	56.4
120.08974	1.5
121.10123	64.2
121.81406	1.3
123.08097	2.9
123.11691	33.7
123.12549	1.9
125.09662	2.6
127.11214	5.5
131.08566	9.8
133.10112	46.2
135.11670	53.8
137.09677	1.7
137.13229	15.7
137.14172	1.3
143.08551	3.1
145.10103	20.4
147.11665	55.5
148.12036	2.0
149.13231	39.2
151.14842	4.5
153.09187	1.7
157.10143	4.9
159.11682	22.1
161.13226	37.5
163.14796	31.9
163.16051	2.3
165.12733	1.9
165.16415	1.7
171.11749	4.4
173.13263	15.2
175.14801	30.8
175.16235	1.6
177.16397	11.7
179.14273	5.7
183.11780	1.3
184.07338	1.8
185.13301	3.2
187.14793	11.4
189.16354	38.6
191.14381	1.8
191.17914	51.4
193.19563	2.0
199.14902	4.8
201.16347	22.1
203.17928	57.9
204.18260	2.7
205.15880	1.3
205.19484	10.2
207.17357	6.6
213.16385	4.3
215.17943	11.4
217.19482	39.3
218.19931	1.3
219.17580	1.8
219.21198	3.6
221.15402	1.3
221.19113	1.3
227.17979	2.1
229.19484	7.4
231.21001	7.1
233.19023	3.0
241.19649	2.2
243.21103	6.3
245.22572	7.7
255.21199	2.4
257.22757	5.5
259.24203	9.1
269.22800	4.7
271.24319	4.7
277.25507	1.8
283.24390	4.1
285.25833	1.6
287.23856	2.3
297.25998	3.7
311.27322	2.7
339.30527	1.6
343.30225	1.5
351.30740	1.8
369.31506	2.3
376.14398	1.2
407.31580	2.1
407.36758	31.0
425.37982	88.5
426.38477	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3409
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.02370	1.0
53.03935	1.1
55.05257	1.2
55.05504	12.2
57.03423	1.9
57.07068	5.1
65.03930	1.2
67.05492	22.6
69.03415	2.2
69.07056	26.7
69.60461	7.4
71.04994	1.7
71.08610	1.7
77.03927	1.3
77.20450	0.9
79.05045	1.8
79.05474	14.3
81.03391	1.1
81.07049	45.2
82.07374	1.4
83.04948	1.7
83.08613	12.4
85.06499	1.7
87.04441	1.8
91.05469	16.1
93.07029	36.5
94.07375	1.0
95.04935	3.2
95.08595	67.3
96.08924	2.3
97.06524	2.2
97.10155	4.8
105.07016	40.2
106.07330	1.1
107.08581	56.5
108.08913	1.6
109.06506	3.9
109.10139	40.9
110.10471	1.7
111.08060	5.2
111.11706	1.4
113.09660	1.7
115.05416	1.0
117.07013	6.3
117.09544	0.9
119.08566	77.3
120.08898	4.1
121.06452	1.6
121.10126	47.7
122.10423	1.4
123.08041	4.8
123.11707	14.0
125.09621	6.1
128.06190	1.2
129.07002	4.2
131.08554	19.8
133.10110	68.4
134.10437	2.9
135.08043	2.5
135.11671	21.5
137.09642	5.7
137.13242	7.1
138.13593	1.0
139.11189	1.7
142.07724	2.8
143.08546	9.8
144.09337	3.0
145.10110	32.7
146.10759	1.1
146.13139	0.9
147.08032	1.1
147.11667	30.7
149.09607	3.8
149.13239	40.6
150.13550	1.5
151.11166	3.0
151.14806	1.7
152.24158	1.0
153.12787	1.3
155.08554	2.4
156.09264	3.4
157.10117	13.2
158.10913	4.2
159.11682	38.2
160.12094	2.6
161.09630	5.5
161.13239	20.1
163.01349	1.0
163.11157	3.5
163.14803	41.3
164.15152	2.1
165.12730	5.9
165.16418	2.1
169.10126	3.7
170.10901	1.4
171.11658	12.0
172.12456	2.3
173.09662	1.1
173.13237	33.3
173.75494	1.1
174.13617	2.0
175.11314	3.2
175.14803	86.5
176.15117	2.8
177.12823	2.4
177.16359	54.7
178.16716	1.7
179.14314	3.7
179.17909	2.1
181.10048	1.6
181.12149	1.1
183.11678	3.9
184.12485	2.4
185.13248	10.6
187.14790	44.7
187.68051	0.9
188.15239	3.6
189.12750	3.3
189.16359	47.6
190.16669	1.4
191.14307	2.5
191.17920	12.8
193.12195	1.3
193.15892	9.9
195.11588	1.7
197.13286	2.2
199.14775	11.5
201.16345	15.4
202.16832	1.1
203.14340	2.4
203.17934	20.7
204.18221	1.0
205.15895	2.9
205.19478	1.1
207.13731	1.2
207.17433	3.4
209.13214	2.2
211.14877	4.1
213.16284	10.8
215.17932	28.0
216.18277	2.1
217.15906	6.5
217.19440	5.0
219.17435	1.6
223.14871	1.9
225.16348	3.6
227.17905	6.3
229.15913	4.2
229.19402	2.5
231.17462	7.7
231.21085	3.2
233.18962	8.7
235.16895	26.2
237.16371	1.2
239.17955	3.6
241.19553	3.2
243.17383	2.6
243.21048	1.6
245.19069	1.3
247.16873	9.6
249.18530	4.6
251.20032	38.9
252.20549	1.2
253.19481	2.2
255.21059	4.8
257.19061	1.9
257.22604	2.3
261.18594	1.7
265.19568	1.2
267.21136	1.6
275.20032	1.7
281.22693	2.2
297.22491	1.2
297.25702	3.0
298.25977	1.2
301.21753	2.0
333.25912	1.7
339.30292	1.7
349.28940	3.0
355.26447	1.3
379.33713	4.0
383.88629	1.3
389.31985	15.5
407.33032	34.0
408.33389	3.3
425.34091	100.0
426.34534	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	425.3407
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
50.07523	1.2
53.03936	3.1
55.05502	14.5
57.03424	1.8
57.07057	5.3
62.17538	1.5
65.03919	1.7
67.05153	2.2
67.05492	22.5
68.05804	1.8
69.03419	1.9
69.07055	17.7
69.52796	10.6
69.91247	1.3
71.04958	2.7
71.65904	1.2
74.82253	1.4
77.59319	1.3
78.04507	1.1
79.05481	15.7
81.03410	1.7
81.07039	35.5
83.04953	3.9
83.08601	10.6
85.06539	1.4
91.05463	20.8
93.07027	39.8
95.04979	2.5
95.08593	58.3
97.06491	2.9
97.10146	1.8
98.20771	2.6
99.08086	5.9
105.07010	49.9
106.07353	1.3
107.08579	66.6
109.06486	2.9
109.10139	37.4
111.08076	3.6
111.11750	1.4
117.06973	7.2
119.08560	63.7
119.69896	1.4
121.06520	2.4
121.10127	49.7
122.10454	1.4
123.08044	3.9
123.11674	16.0
125.09596	2.8
127.11177	1.9
129.07014	2.2
130.07747	1.7
131.08537	32.2
133.09103	2.3
133.10112	46.5
134.10457	2.2
135.08022	2.7
135.11679	28.6
137.06026	1.7
137.09630	4.0
137.13177	6.0
139.11212	1.7
143.08536	8.3
145.10103	46.7
145.11269	2.3
146.10616	1.2
147.11670	49.3
148.12044	1.7
149.09625	2.5
149.13240	30.0
151.11168	4.4
151.14777	1.7
155.08565	1.7
156.09326	1.7
157.10080	11.4
158.10806	2.0
159.11665	37.4
161.09671	1.8
161.13225	24.9
163.11127	8.6
163.14798	22.4
165.12723	2.7
169.10127	1.5
170.10909	1.6
171.11713	9.3
172.12428	2.2
173.11754	2.4
173.13234	29.4
175.11160	2.7
175.14796	27.8
175.16255	2.2
177.12708	5.0
177.16345	16.5
179.14365	2.3
181.12268	1.5
183.11685	4.7
185.13264	12.6
187.14786	48.4
188.15230	1.4
189.12695	1.7
189.16354	26.1
191.14302	4.2
191.17987	6.2
193.15897	1.7
195.11707	2.0
195.13835	1.6
197.13249	1.7
199.14804	9.9
201.16348	82.8
202.16678	3.0
203.14243	4.6
203.17911	36.6
203.19711	2.3
204.18225	2.1
205.15831	37.6
207.17474	5.6
211.14861	2.5
213.16299	7.1
215.14296	4.0
215.17880	9.1
217.15939	3.0
217.19496	5.3
219.17397	9.9
221.15361	3.9
223.14854	2.7
223.16864	21.1
224.17239	1.6
225.16386	2.5
227.18013	4.9
229.15901	1.4
229.19493	5.8
231.17494	4.2
235.16931	2.6
237.16324	2.3
239.17917	3.4
241.19472	3.6
243.17447	2.0
243.21101	2.8
245.19017	3.4
253.14363	2.2
253.19563	3.7
255.21013	6.3
267.21054	1.7
269.22586	2.0
301.21619	2.4
347.27390	1.5
353.28247	1.8
389.31940	5.6
395.32898	2.0
407.33109	27.4
408.33365	2.3
425.25598	5.3
425.34146	100.0
426.26083	1.7
426.34650	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.341
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03918	1.3
55.01858	1.6
55.05502	8.7
57.01465	0.7
57.03392	0.8
57.07071	4.9
67.05172	0.8
67.05491	11.5
69.03400	1.4
69.07056	18.5
70.07354	0.8
71.04971	1.6
71.08601	1.2
71.63213	1.3
75.88860	0.8
79.05473	6.1
81.07044	25.4
83.04942	1.0
83.08607	8.2
85.06525	3.8
85.10158	0.9
91.05466	6.8
93.07030	16.9
95.04942	2.0
95.08591	31.5
97.06496	2.4
97.10165	4.6
105.07012	16.1
107.08577	18.5
109.06448	2.0
109.10139	25.9
111.08015	0.8
111.11670	2.7
117.07011	1.8
119.08556	16.5
121.06490	1.7
121.09322	1.0
121.10121	16.6
123.08006	1.1
123.11688	13.8
125.02316	4.7
125.09576	1.1
127.03831	2.2
127.11108	1.5
129.06935	2.6
131.08542	8.0
133.06450	1.9
133.10110	15.4
135.07996	3.1
135.10664	1.2
135.11662	14.4
137.09543	1.5
137.13260	5.1
139.03831	1.9
139.07501	1.0
142.07721	1.1
143.08548	6.7
144.09258	1.0
145.10098	8.9
147.08038	4.7
147.11667	12.6
149.09515	2.0
149.13231	10.0
151.11090	1.2
151.14723	1.1
153.12721	0.8
155.08501	1.3
156.09242	0.9
157.09064	0.8
157.10110	6.8
158.10698	1.3
159.07986	1.2
159.11668	10.8
161.09587	7.5
161.13217	8.4
163.11119	1.2
163.14774	4.2
165.09027	1.1
165.12733	1.1
167.06949	1.6
168.09195	0.9
169.08614	1.1
170.10817	1.1
171.11595	2.4
173.13232	7.0
175.11182	4.6
175.14813	6.0
177.09125	1.4
177.12732	1.9
177.16318	3.2
181.08508	1.5
183.10147	1.1
183.11626	3.0
185.13251	5.8
187.11092	1.2
187.14789	3.9
189.12621	1.7
189.16368	6.0
191.14186	2.1
191.17899	6.2
193.15688	0.9
193.21968	0.8
195.10120	1.1
197.13184	1.4
199.14713	2.6
201.12602	2.2
201.16324	4.8
203.14273	47.9
203.17909	7.9
204.14586	2.5
205.15736	2.5
205.19460	4.0
207.17439	1.8
209.18874	0.8
213.16357	1.3
215.14279	2.6
215.17851	2.2
216.10597	0.8
217.15900	4.8
217.19450	4.9
225.16444	1.1
227.17838	1.4
229.15814	1.2
229.19456	2.1
231.17346	1.0
233.18742	0.9
235.13028	0.9
243.17406	1.0
243.20949	1.8
247.20367	1.0
253.19337	1.4
255.20903	1.0
257.18906	0.9
267.21002	0.9
269.19009	0.7
269.22415	2.2
271.20483	2.2
285.22083	1.5
287.23584	1.1
325.28595	0.9
333.24072	1.4
343.29816	1.3
369.31189	1.6
371.29114	1.6
389.30359	9.7
407.32635	8.3
408.33167	1.1
425.33774	100.0
426.34232	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	425.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.9
55.05503	24.2
57.07069	16.9
58.17338	2.6
65.03934	2.6
67.05487	37.1
69.06712	4.3
69.07061	52.6
69.97942	9.2
69.98372	9.2
71.04964	6.9
71.08602	10.5
74.65089	2.8
79.05095	2.7
79.05477	16.4
81.07047	74.9
82.07356	3.6
83.04952	3.8
83.08603	29.7
85.06553	6.5
85.10158	3.7
85.47052	2.8
91.05462	20.2
93.07022	49.7
95.04935	6.6
95.08589	91.8
96.08958	2.8
97.06506	6.7
97.10178	16.1
99.08092	4.8
105.07016	37.3
107.08577	55.6
109.06486	3.9
109.10139	100.0
111.08065	3.7
111.11710	9.1
117.06969	4.9
119.08571	56.3
121.10119	54.8
123.08053	5.3
123.11684	28.4
125.02326	12.4
125.09645	4.0
125.13279	3.6
127.03882	10.2
127.84053	3.1
131.08536	19.2
133.10118	37.7
135.08041	6.1
135.11694	36.6
137.09616	5.1
137.13211	16.2
139.03879	3.9
139.07469	4.2
143.08534	7.2
145.10085	21.3
147.07968	4.5
147.11668	42.4
149.09642	7.4
149.13239	31.9
151.11151	3.2
151.14703	5.4
153.12796	3.8
156.09395	5.2
157.10118	9.6
159.11630	25.8
161.09599	5.5
161.13255	25.6
163.14806	17.0
163.16013	3.0
165.09070	4.9
167.07027	4.6
169.10049	4.8
171.11673	12.9
173.13243	18.9
175.11086	4.1
175.14775	17.8
177.09175	3.2
177.16333	12.2
179.14314	5.7
181.08549	6.2
183.10252	4.3
183.11717	4.8
185.13240	9.8
187.14784	13.8
189.12711	4.4
189.16362	25.2
191.14383	6.0
191.17908	22.1
193.15854	3.8
195.10205	3.7
197.13293	4.2
199.14758	7.4
201.16345	13.6
203.14308	22.5
203.17900	22.0
205.15886	12.5
205.19345	3.4
207.10069	3.9
207.17482	4.6
209.11597	3.4
213.16299	4.1
215.17943	10.6
217.15819	4.3
217.19516	13.0
219.17549	4.2
224.15839	3.4
227.17776	3.6
229.19479	5.0
235.22896	2.8
241.19524	3.2
243.21135	3.2
250.17299	2.8
250.20407	2.6
251.16341	4.4
263.16336	7.9
271.20264	3.7
271.24118	4.4
277.18085	3.8
277.21875	2.7
283.20517	3.4
307.22809	5.1
333.24197	3.8
343.29898	3.4
352.72421	3.0
371.29382	7.2
389.30472	50.2
407.33032	19.6
407.37430	5.0
425.33591	89.2
425.38342	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3256
Annotation	Mycaperoxide F methyl ester
Peak:m/z	Relative Intensity
55.05261	0.8
55.05501	9.0
57.07065	4.8
67.05500	11.7
69.03400	1.7
69.06727	1.3
69.07060	18.2
71.04965	1.9
71.08592	2.4
79.05134	0.7
79.05478	8.6
81.07049	22.5
83.04969	0.9
83.08609	9.8
85.06503	2.1
91.05473	5.9
93.07029	16.4
95.04927	1.2
95.08592	30.8
97.06483	2.1
97.10155	6.7
99.04398	1.0
99.08019	1.1
105.06406	1.0
105.07021	17.2
107.08582	22.8
109.06450	3.0
109.10138	26.2
111.08010	0.9
111.11652	2.7
117.06960	2.5
119.08572	16.8
121.06467	2.0
121.09325	1.2
121.10123	15.9
123.08012	1.8
123.10913	1.1
123.11683	10.9
125.02335	5.7
125.09587	1.3
125.13239	1.0
127.03896	2.3
127.11141	1.0
128.06210	1.0
129.06952	2.2
131.08554	8.7
133.06422	1.5
133.10114	16.7
135.07945	3.2
135.10811	1.2
135.11671	12.6
137.09633	1.5
137.13174	3.7
139.03877	1.7
139.07411	1.0
143.08505	5.7
145.10086	7.7
147.08043	6.4
147.10661	0.9
147.11671	12.6
149.09686	1.9
149.13231	11.8
153.12599	1.1
156.09305	1.4
157.10165	6.1
159.07918	1.2
159.11667	10.7
161.09624	6.7
161.13219	8.3
163.11063	1.4
163.14763	4.4
165.12740	1.4
167.06938	2.4
168.09288	0.9
169.10028	2.3
170.10921	1.0
171.11621	3.2
173.09506	0.9
173.13258	7.8
175.11113	3.2
175.14857	6.4
177.09106	1.0
177.16307	3.8
179.14304	1.6
181.08524	2.0
183.11591	3.1
185.13202	7.4
187.14760	4.8
189.12634	1.1
189.16356	8.0
191.14243	1.1
191.17921	6.9
195.10074	1.4
197.13197	1.1
199.14731	3.8
201.12604	2.8
201.16338	4.7
203.14290	43.5
203.17928	7.4
205.15750	1.4
205.19450	3.1
207.10167	1.0
207.17313	1.4
209.11609	1.2
211.14781	1.2
213.12679	1.3
213.16313	1.5
215.14111	1.6
215.17888	2.1
215.54698	0.9
217.15817	6.2
217.19359	3.7
219.13591	0.9
219.17384	1.0
221.18748	1.0
223.13231	0.9
227.17955	1.5
229.19522	2.0
233.18822	1.2
241.19328	1.0
245.19104	1.0
251.16336	1.8
253.19579	1.6
255.20984	2.2
257.19135	1.0
257.22507	1.2
263.16473	1.1
267.21014	0.9
271.20462	2.7
283.24072	1.0
285.22028	1.5
333.24026	1.0
369.31195	1.3
371.29147	2.4
389.30426	11.1
407.32544	8.6
407.37186	1.3
425.33789	100.0
426.34299	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.9
55.05483	1.2
57.03428	1.9
58.31627	0.3
59.04983	0.7
61.02890	0.4
67.05476	0.5
68.74151	0.3
69.03419	4.3
69.07043	0.3
70.16988	1.2
71.01321	0.6
71.04982	2.2
73.02905	0.9
81.03407	2.1
81.07040	0.5
83.04980	0.6
85.02900	2.1
89.45889	0.3
91.05467	0.6
93.07046	0.5
95.04898	0.5
97.02905	0.3
99.03835	0.4
99.04443	5.8
99.05067	0.2
99.08078	0.7
99.80131	0.3
103.03924	1.8
105.06992	0.4
109.02847	1.1
109.10088	0.4
110.07131	0.8
117.05485	2.0
121.02852	1.2
123.08067	0.3
124.03928	0.3
127.03884	3.4
132.06778	0.4
135.06493	0.4
137.05975	0.5
139.03871	0.5
143.03305	0.4
145.07587	0.5
146.08345	1.5
147.09149	60.6
148.09470	1.0
152.98933	0.3
159.09151	1.6
160.09944	1.1
161.10736	1.2
165.23712	0.3
189.10196	5.1
203.11790	0.5
219.11308	1.0
245.12848	1.5
246.06276	0.3
247.14526	0.4
263.13870	1.9
281.14917	8.1
305.14938	0.7
315.55966	0.3
323.15903	5.7
363.19073	8.8
364.36356	0.3
365.17032	15.9
366.17349	0.7
389.16705	0.6
407.18076	1.3
425.19150	100.0
426.19370	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44059	0.7
53.10114	0.6
70.13177	2.5
77.34290	0.6
82.99864	2.0
94.99805	0.8
97.02911	0.9
98.21423	0.7
101.00255	1.0
101.00865	12.3
109.02824	0.7
113.00885	1.6
119.01907	30.1
120.01954	0.8
127.02390	2.2
131.01889	9.2
137.02896	3.5
139.02432	1.0
139.64618	0.6
143.01875	30.6
145.03432	13.0
147.01335	1.3
149.02975	1.4
155.01866	14.1
157.03450	7.9
161.02940	58.6
162.03102	1.2
163.04500	1.9
167.01874	10.1
169.03450	3.2
169.41873	0.6
171.04997	2.5
173.02942	24.9
175.04491	1.9
179.01860	3.9
179.04071	1.4
184.04582	1.7
185.02939	43.7
186.03160	1.4
187.04521	4.0
191.03937	5.3
197.02942	17.3
199.04510	0.8
203.03983	17.0
208.04518	0.7
209.02898	1.4
215.03979	9.2
221.05049	1.7
227.03999	7.6
245.05040	100.0
246.05238	2.5
254.48875	0.6
257.05032	3.3
263.03271	1.5
263.06085	27.9
264.06152	0.8
275.06058	9.8
286.07596	0.9
293.07211	4.4
305.07138	10.2
317.07156	1.3
335.08209	3.3
365.09219	8.7
383.10162	1.0
425.05719	0.7
425.11404	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
65.16230	0.5
67.98807	0.4
69.03411	0.8
69.45005	3.8
81.03385	1.1
81.90260	0.4
82.99861	1.6
85.02871	1.1
97.02853	2.3
98.20741	0.8
98.97606	0.7
101.00858	13.1
102.24308	0.4
109.02856	1.9
110.78291	0.4
113.00819	2.6
115.02390	0.8
119.01906	30.2
119.11841	0.5
120.02001	1.1
127.02386	2.3
127.03884	0.8
129.00267	0.4
131.01888	10.3
133.03470	0.9
137.02953	3.4
139.02394	1.1
142.03513	0.5
143.01880	31.4
144.01955	0.8
145.03448	12.2
147.01340	1.6
147.05032	1.2
149.02925	1.6
153.01816	4.1
153.03938	0.6
155.01868	14.9
156.01965	0.6
157.03447	6.8
161.02936	58.4
162.03088	1.9
163.04515	1.7
167.01866	8.3
169.03418	3.2
171.05034	2.4
173.02939	25.4
174.03107	1.1
175.04527	2.3
177.02472	0.6
179.01810	3.2
179.04045	1.1
181.03438	0.9
184.04536	1.8
185.02933	42.4
186.03154	1.8
187.04489	4.7
189.02399	0.6
189.05960	1.1
191.04005	5.1
196.04507	1.1
197.02930	17.1
198.03081	1.1
199.04376	0.9
203.03986	16.0
204.04225	0.9
208.04500	0.8
209.02913	2.0
215.03986	8.4
221.05067	2.4
227.03957	8.1
228.04237	0.7
233.05055	0.9
239.04048	0.7
245.05042	100.0
246.05241	5.2
257.05011	5.3
263.06100	25.4
264.06186	0.8
275.06070	13.1
275.08868	0.9
286.07697	1.1
293.07187	3.7
303.01376	0.7
305.07117	11.6
306.07339	1.0
307.08847	0.6
317.07141	1.2
335.08221	4.4
365.09229	10.9
425.11478	7.2
426.11490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01866	2.1
55.05283	1.5
55.05500	13.1
57.03422	3.6
57.07048	1.4
57.68379	1.3
57.68670	1.3
59.04985	4.2
60.11921	1.3
61.02906	1.7
67.05499	6.6
67.71645	1.5
69.03429	6.9
69.07062	7.2
70.06557	1.8
71.04978	7.2
71.24301	2.6
73.02895	2.3
79.05484	6.3
81.03390	5.9
81.07045	12.5
83.04970	12.8
83.08597	9.5
85.02895	15.0
85.06522	9.3
86.09696	3.1
87.04475	1.7
91.05456	4.7
93.07024	10.4
95.04947	37.1
95.08604	8.5
96.05200	1.4
97.02869	5.8
97.06511	17.7
97.10144	1.9
99.04445	11.3
99.08076	2.5
105.07014	10.9
107.08586	17.7
109.02879	5.5
109.06499	20.8
109.10158	11.7
111.04424	3.1
111.08060	4.9
113.05965	8.9
115.07553	16.6
117.07056	1.9
119.08533	9.4
121.06483	3.1
121.10124	27.7
122.06007	1.6
123.04426	1.6
123.08014	3.2
123.11692	3.4
125.09602	5.7
127.03902	12.7
127.07536	6.6
131.08531	7.8
133.10098	34.3
135.08034	4.3
135.11668	3.0
136.07576	2.7
137.05904	2.6
137.09575	2.6
139.03874	3.7
139.11171	3.2
145.04930	4.8
145.10106	3.0
146.02722	1.6
147.04378	7.6
147.11674	14.0
149.13239	6.6
151.03813	2.1
151.11163	14.3
153.01781	9.2
153.09068	18.9
154.02127	2.1
155.02280	3.5
155.46555	1.4
158.10844	1.7
163.03914	2.2
163.14816	6.9
164.07054	3.9
165.05450	6.4
165.12737	2.2
167.07040	1.4
167.14299	17.4
173.13228	24.2
175.14780	4.6
180.08635	1.8
191.14285	35.9
205.12198	1.6
209.15337	100.0
210.15688	2.0
227.16382	68.3
228.16724	2.3
262.16904	1.4
286.07474	2.1
299.06589	1.7
317.07678	1.8
386.09039	1.4
424.15387	4.1
425.17712	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	424.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01867	2.3
55.05499	11.3
57.03428	4.0
57.07051	1.7
59.04995	2.0
61.02925	2.8
65.03919	1.7
67.05486	8.0
69.03430	10.4
69.07047	8.8
70.95758	4.6
71.04976	6.2
73.02908	1.7
79.05475	10.6
79.05874	1.8
81.03413	8.3
81.07044	16.9
83.04967	3.9
83.08610	3.5
85.02890	24.7
85.06543	2.4
86.03183	1.6
87.04458	2.3
91.03947	1.8
91.05466	8.8
93.07028	30.5
95.01369	1.5
95.04949	6.7
95.08588	24.5
97.02898	9.6
97.06515	4.3
97.10150	8.6
99.04436	7.1
105.06999	15.1
107.08579	46.8
109.02884	4.0
109.06517	4.3
109.10143	8.9
111.08060	3.3
113.05994	6.1
115.07511	3.6
117.07000	3.4
119.08566	17.4
120.08097	1.5
121.10129	32.6
123.08072	2.6
123.11693	7.6
125.02352	1.9
127.03901	7.1
131.08545	16.8
133.10100	29.3
135.08032	10.3
135.11667	72.4
137.09595	3.9
139.03828	1.7
139.16469	1.7
143.08582	4.4
145.04907	4.9
145.10089	7.4
147.11647	8.6
149.09604	2.0
149.13229	5.7
151.11165	3.0
153.01852	2.4
153.09131	5.7
158.10880	5.9
161.13223	9.9
163.14812	16.0
165.05460	2.2
167.07002	1.5
173.13239	46.7
175.14781	12.2
179.14319	6.5
185.78038	2.0
191.14272	100.0
193.15843	8.7
209.15337	58.8
209.17319	3.0
227.16408	8.7
238.09985	1.6
241.23131	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05498	14.5
57.03427	1.8
59.04994	2.1
67.05489	4.7
68.30264	1.1
69.03410	5.5
69.07044	5.9
71.04977	4.3
71.47380	2.1
73.02884	1.9
74.06071	2.8
79.05480	4.5
81.03398	3.6
81.07046	7.3
82.80689	1.1
83.04968	10.0
83.08608	12.6
85.02889	6.7
85.06535	10.5
86.09703	1.4
87.04426	1.1
91.05485	3.2
93.07040	13.3
95.04957	14.0
95.08585	6.7
97.02879	5.1
97.06496	6.1
97.10151	2.6
99.04468	4.9
99.08110	1.3
101.05986	1.4
105.07008	5.7
107.08587	18.9
109.02863	4.1
109.06509	5.4
109.10134	9.1
111.04431	2.4
111.08073	3.4
112.07569	1.5
113.06001	4.5
113.09689	1.5
115.03954	1.1
115.07576	8.9
116.07079	1.5
119.08599	6.4
121.10123	42.7
123.08057	2.7
123.11745	5.0
124.03944	1.2
125.09605	5.6
127.03899	4.2
127.07591	2.3
131.08527	2.2
133.10115	9.6
135.08044	1.8
135.11661	2.8
137.05965	1.1
137.09557	1.6
139.11183	2.1
140.07019	1.8
143.07022	1.4
144.77713	1.0
145.04942	2.0
145.08603	1.6
147.04382	1.2
147.11691	2.9
149.09735	1.1
149.13255	3.7
151.11157	17.0
153.01790	2.6
153.09073	6.5
155.01563	1.8
163.14804	12.2
167.07021	2.1
167.14302	14.7
173.13228	8.2
175.14827	4.4
181.03117	1.5
181.04932	1.0
191.14304	14.9
193.15811	2.2
194.01480	1.0
199.04234	1.8
209.15337	100.0
210.15659	2.5
227.16386	9.8
259.14529	1.2
271.11694	1.1
295.05994	1.1
366.15848	1.1
425.17828	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	424.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.8
53.87180	1.3
55.01860	3.9
57.03449	1.3
61.02920	2.3
69.03419	6.1
69.63673	9.6
69.64864	1.1
70.06577	4.2
71.04984	1.7
79.05482	2.7
81.03399	2.0
85.02888	19.7
91.05466	13.8
93.07045	6.3
93.91380	1.2
95.04967	2.5
95.46367	1.2
97.02901	6.9
97.03441	1.3
98.20788	1.2
99.04446	1.3
103.05455	10.4
105.03353	2.8
107.04990	6.1
109.02856	2.5
109.06493	5.5
112.07570	3.8
116.85052	1.1
117.03356	1.5
119.04931	4.4
121.06474	16.9
122.03686	1.8
123.04388	2.3
124.05236	1.1
127.03912	2.3
131.04884	13.8
133.02826	30.2
134.03581	1.5
135.04388	3.2
137.05960	18.5
140.04639	1.3
140.07040	3.2
145.02835	3.0
145.04962	3.0
145.05991	1.3
147.04379	3.7
148.05159	8.1
149.05957	30.8
153.01846	7.2
153.03003	1.1
159.04390	12.4
162.03043	1.7
163.03905	1.9
165.05457	27.7
166.06239	1.4
167.07018	42.5
168.60965	1.3
168.86197	1.2
176.04691	3.7
177.05441	79.1
178.05968	2.4
181.08582	1.9
181.28867	1.5
182.05751	3.5
191.07030	4.7
194.05751	2.9
197.06221	2.3
197.08063	71.1
209.08057	100.0
227.09111	47.6
227.11334	2.8
246.52025	1.6
341.12057	1.5
389.97440	1.3
430.94128	1.3
436.87787	1.5
438.32730	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	5.6
71.61227	1.3
71.61646	0.8
76.82514	0.7
79.03497	0.9
79.22115	0.9
80.77238	0.8
97.92418	0.8
98.97568	37.4
99.24138	0.9
104.74983	0.9
105.22177	1.0
116.98605	34.4
117.51720	0.8
134.99652	24.1
153.00728	2.7
155.99673	1.0
177.00960	2.5
178.01138	0.9
181.95827	0.8
192.98854	1.1
216.98817	2.3
219.02016	5.7
220.02257	1.7
234.99945	9.9
236.99812	1.1
240.98642	4.9
253.01028	2.7
258.99838	59.4
260.00070	4.5
260.99908	2.6
261.03082	6.2
262.03159	2.8
263.02765	2.1
264.98959	2.9
272.00128	0.9
277.00867	87.1
278.01083	6.2
279.00897	2.4
282.01367	3.0
282.99942	52.9
284.00089	3.7
284.99994	2.1
295.02103	1.1
295.74991	0.8
300.02081	1.9
300.04285	1.2
301.01016	100.0
302.01184	6.0
303.00836	2.6
304.00937	1.1
308.48804	1.0
316.98987	2.2
318.03311	1.4
319.02151	7.1
324.02682	2.7
342.02124	1.0
343.37842	0.8
359.01123	4.8
360.01007	1.1
364.99469	1.4
382.99658	4.8
401.01001	34.0
402.01163	4.0
403.00748	1.7
403.37555	1.0
406.99899	4.3
419.01926	5.6
424.02927	3.5
425.01035	19.7
443.02216	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	423.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.6
57.07063	10.9
60.17770	2.6
67.05499	25.4
69.07063	34.5
69.35528	26.1
71.08628	3.5
73.48301	3.0
79.05492	15.3
81.07053	65.3
83.08601	16.2
91.05511	14.6
93.07032	38.8
95.08600	100.0
97.10162	9.8
105.07026	36.7
107.08588	51.4
109.09439	5.9
109.10147	69.7
110.29456	2.9
111.11756	4.5
116.96957	2.5
117.07049	6.4
119.08573	50.6
120.95623	3.1
121.10136	56.1
121.53426	3.4
123.11710	41.5
125.13212	2.9
127.11185	12.8
131.08553	15.0
131.15109	3.0
133.10115	36.6
133.35364	3.4
135.11688	32.2
137.13242	23.9
143.08597	4.9
144.09328	5.9
144.37523	2.6
145.10097	38.4
147.11696	35.4
149.13239	33.2
151.14804	5.4
157.10048	6.3
158.10896	6.3
159.11684	60.8
161.13239	28.3
163.14807	26.5
171.11707	8.5
173.13232	19.7
175.14752	16.4
177.16388	12.6
185.13304	5.9
186.14157	2.8
187.14796	41.1
189.16359	46.5
191.17947	33.2
199.14810	4.2
201.16356	25.8
203.17923	38.0
205.19498	17.2
207.17296	4.1
213.16374	11.0
215.17941	31.3
217.19463	26.4
219.21083	5.2
227.17870	3.5
229.19475	6.1
231.21078	7.8
233.18912	3.3
233.22636	5.6
241.19412	6.0
243.21085	6.2
245.22758	5.6
257.22562	10.3
267.21036	4.3
269.22568	4.3
271.24112	7.1
283.24411	3.3
285.25726	3.4
299.27408	6.4
300.32156	3.0
309.25787	3.5
337.28769	3.9
339.30447	3.7
353.28265	3.2
405.35220	27.5
406.35913	3.2
423.35278	80.1
423.40259	44.4
424.36029	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	423.3614
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03970	1.4
55.05505	12.1
57.07068	6.8
59.77684	1.0
65.03934	1.2
67.05495	32.9
69.03413	2.0
69.07061	32.5
69.35997	10.7
69.36407	2.6
71.04983	1.9
71.08620	2.1
79.05484	11.0
81.07048	39.7
83.08614	12.3
91.05473	12.9
93.07033	22.9
95.04979	2.2
95.08591	54.2
97.06533	2.4
97.10163	6.7
100.23815	1.3
105.07024	25.5
107.08581	35.5
108.08907	2.0
109.06515	1.1
109.10139	59.3
111.08047	1.5
111.11721	2.0
117.06319	1.1
117.06991	5.9
119.08567	40.9
121.10123	29.8
123.08027	1.8
123.11704	18.3
125.09626	1.8
127.11237	1.4
129.07002	1.9
131.08557	12.5
133.10123	24.9
133.11086	2.0
135.08058	2.0
135.11668	22.8
137.09610	1.5
137.13274	5.5
142.07753	1.5
143.08540	7.4
144.09314	1.3
144.36888	1.3
145.10098	23.3
147.11679	19.0
149.13246	13.1
151.14821	2.1
155.08575	3.4
156.09325	3.0
157.10110	11.3
158.10887	1.8
159.11670	20.3
161.09666	1.3
161.13248	15.0
163.14836	7.7
165.16454	1.8
169.10074	5.5
171.11652	15.3
173.11749	3.3
173.13210	18.7
175.14824	11.2
177.12746	2.3
177.16402	5.3
179.14359	1.8
180.65196	1.1
181.10207	1.8
183.11673	5.9
185.13234	9.1
187.14819	15.5
189.12746	1.3
189.16380	16.7
191.14317	1.5
191.17905	13.6
195.11722	1.3
197.13268	4.5
199.14799	8.9
201.16359	17.0
203.17908	13.2
205.15991	1.9
205.19580	2.0
207.17630	1.5
209.13295	2.4
211.14912	4.9
213.16393	6.4
215.14348	4.1
215.17917	9.7
215.78746	1.0
217.19499	9.9
219.17461	2.9
223.14821	2.1
224.15598	1.8
225.16420	5.8
226.17137	1.4
227.17957	7.5
229.15849	2.1
229.19440	2.8
231.21149	1.5
233.19035	1.7
237.16417	1.8
239.17970	7.4
241.19440	5.4
243.21155	2.8
245.19008	2.8
251.17979	1.4
253.19435	7.5
255.21083	3.7
257.19037	3.2
257.22699	1.4
259.20474	1.8
265.19632	1.5
267.21146	3.4
269.19333	1.0
269.22678	2.8
271.20673	6.7
271.24402	1.6
273.22345	1.6
279.21173	2.7
281.22723	2.6
283.24252	2.4
285.22241	2.8
293.22574	2.4
295.24368	2.4
299.23874	1.5
309.25766	1.7
311.23697	2.3
323.27454	3.7
339.26965	2.0
341.28186	1.5
349.29065	2.3
353.28189	1.7
405.35275	24.8
406.35727	2.9
423.27264	7.0
423.36325	100.0
424.36627	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3614
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05515	8.4
57.07066	2.4
67.05499	16.9
69.07058	20.6
69.68265	2.7
69.68678	8.8
76.61559	1.6
79.05481	7.5
79.23798	1.4
81.07046	35.5
83.04948	2.1
83.08611	7.3
90.35418	1.7
91.05463	9.5
92.02020	1.5
93.07024	26.4
95.08588	57.6
97.06528	2.9
97.10171	4.7
105.07009	19.3
107.08579	41.1
107.09287	3.2
109.10141	37.5
111.08068	2.4
111.11707	5.7
117.07027	3.0
119.08562	29.0
121.10113	32.1
121.10883	2.0
123.08085	3.1
123.11695	17.3
125.09618	3.1
127.11167	1.8
131.08571	6.3
133.10109	26.1
135.08055	1.7
135.11665	21.8
137.09641	3.4
137.13231	9.1
143.08498	3.9
145.10091	14.8
147.11665	24.6
149.09669	2.0
149.13243	15.5
150.72554	1.6
151.14801	1.9
157.10126	5.0
159.11644	15.9
161.13225	14.4
163.11215	4.5
163.14838	9.6
165.09091	3.1
171.11673	5.1
173.11977	1.7
173.13199	11.0
175.14842	9.9
177.16364	10.6
179.14345	3.4
185.13266	7.2
187.14737	7.8
189.16382	7.1
191.17917	8.7
197.13202	2.0
199.14819	4.6
201.16385	6.1
203.14275	2.1
203.17892	14.8
205.15826	4.3
205.19398	7.9
207.17578	1.9
211.14825	2.6
213.16359	2.8
213.93977	2.0
215.18005	7.0
217.16035	2.3
217.19479	13.5
219.17442	6.6
225.16396	2.3
227.18004	3.6
229.19492	4.4
231.17404	3.6
231.21101	6.6
232.89513	1.5
239.17982	2.0
241.19528	3.9
243.21088	7.9
245.19148	3.9
245.22624	7.0
254.16870	2.3
255.20992	2.7
257.22687	1.9
259.20657	4.5
259.24295	3.6
261.22266	2.9
267.21118	4.1
269.22516	8.7
271.20557	1.9
271.24258	3.9
273.22012	2.1
285.22162	14.1
285.25391	3.0
295.24210	2.3
299.23572	3.0
309.25656	2.7
311.27347	4.0
313.25116	3.8
327.26794	2.3
405.35208	14.2
423.36218	100.0
424.36612	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2733
Annotation	Lovastatin acid
Peak:m/z	Relative Intensity
53.03931	1.5
55.01870	1.2
55.05501	12.7
56.39781	0.7
56.77083	0.8
57.03425	3.5
57.07064	1.8
59.04997	4.0
60.66964	0.8
62.37828	0.8
65.03931	3.1
67.05492	100.0
68.05824	1.1
69.03419	1.1
69.07056	12.9
70.72444	0.9
71.04971	4.4
79.05479	17.0
81.03408	1.0
81.07040	46.4
83.04967	3.0
83.08601	12.8
85.06525	6.3
91.05462	13.6
93.07026	28.3
94.03576	0.8
95.04958	2.8
95.08588	15.8
97.06510	4.9
99.08087	2.0
102.19128	0.7
105.07011	4.7
107.08574	17.4
109.06513	1.9
109.10136	62.8
110.10503	0.9
111.08069	6.3
117.06974	3.3
119.08567	6.8
121.06489	1.4
121.10115	9.7
123.11706	2.2
127.07613	0.8
131.08585	5.1
133.10094	6.7
135.08038	1.9
135.11679	6.0
137.09595	2.8
143.67024	0.6
145.10139	1.6
146.82954	0.7
147.11665	2.0
149.09607	1.2
149.13225	20.0
155.10637	4.1
157.10080	1.3
159.11681	9.0
161.13269	0.8
167.14214	1.1
171.11662	1.0
173.11725	21.2
173.13127	1.3
175.14838	1.3
177.12740	4.3
187.14734	1.4
189.12994	0.7
195.11969	1.1
195.13765	10.0
201.16341	1.2
213.14827	1.9
295.81696	0.7
359.25723	0.9
423.27347	90.7
424.27762	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51315	0.6
53.03928	1.4
55.01868	1.1
55.05258	1.0
55.05502	13.1
57.03428	2.9
57.07061	2.6
59.04992	3.8
65.03939	3.4
67.05494	100.0
68.05814	1.0
69.03419	0.9
69.07059	11.8
69.76841	4.0
71.04979	4.4
79.05482	20.7
81.03409	1.4
81.07043	49.5
82.07382	1.0
83.04975	3.5
83.08605	12.5
85.06528	4.0
91.05466	15.5
93.07029	27.4
95.04956	3.1
95.08590	15.6
97.02905	0.9
97.06499	5.1
97.10154	2.0
99.08072	1.5
100.92814	0.7
105.07013	7.2
107.04915	0.9
107.08583	17.0
109.06529	2.0
109.10139	61.6
110.10488	1.3
111.08079	5.1
111.38223	0.7
113.05982	0.7
117.07009	5.3
119.08562	8.6
121.06532	1.0
121.10118	10.4
121.46120	0.6
123.11697	2.4
125.09650	1.0
131.08554	5.4
133.10120	8.7
135.08075	2.0
135.11681	7.3
137.09573	3.5
139.11189	0.8
143.08485	1.0
145.10118	5.0
147.11673	2.3
149.09598	0.9
149.13231	14.8
151.11232	1.1
155.10654	3.4
157.10126	1.9
159.11659	7.7
161.13246	1.9
163.14833	0.9
167.14320	0.8
171.11606	1.5
173.10225	1.3
173.11720	20.5
173.13217	2.0
175.14810	1.4
177.12672	3.4
185.13173	1.7
187.14761	4.5
189.16370	4.8
195.13780	10.3
199.14809	0.8
201.16362	2.0
203.18022	0.9
213.14796	1.9
215.14233	0.9
248.11935	0.6
251.16461	0.8
284.54745	0.7
331.22168	1.2
377.31958	1.3
405.26266	1.5
405.31232	1.1
423.27350	92.9
423.32361	6.8
424.27661	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	423.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
53.20175	0.3
65.03957	0.4
66.04713	0.4
67.05481	1.1
69.84147	0.7
69.84560	1.3
72.05920	0.3
77.03909	0.4
78.04700	3.0
79.05475	3.6
81.07033	0.6
82.67188	0.3
85.06525	0.6
91.05452	2.2
93.07029	1.0
95.04961	2.1
95.08608	0.4
103.05451	4.9
105.07016	6.1
106.04156	1.5
107.04939	7.0
109.02869	0.5
109.06486	0.4
109.10161	0.7
115.05421	2.1
117.06993	1.4
119.04903	0.7
121.06479	1.4
122.03636	0.7
123.04408	6.7
123.08076	0.7
123.67690	0.4
124.05213	3.3
125.05954	1.0
128.06200	0.6
129.06996	0.9
131.04904	6.8
131.08543	0.9
133.06480	5.7
133.98271	0.3
134.03616	0.5
135.08006	1.5
137.05972	2.6
138.06674	0.4
141.05444	1.1
141.07004	0.6
143.04909	0.4
143.05962	0.4
143.08546	0.8
144.05698	0.9
145.06471	2.9
147.04405	1.6
147.08054	0.6
149.05968	0.7
151.03871	2.4
151.07533	3.8
152.04646	1.9
153.05374	0.5
155.07010	1.7
156.05640	0.4
157.06419	0.4
158.07245	1.3
159.08026	1.3
161.05965	6.3
163.07524	13.2
165.09029	0.4
166.06319	0.3
167.07018	100.0
168.07367	2.3
169.96625	0.3
172.05222	0.5
173.06006	1.0
173.09593	1.2
175.07523	1.8
177.05472	0.6
177.09056	2.2
179.07036	2.1
181.05042	0.5
181.08553	4.7
182.58394	0.3
187.07516	2.9
189.09135	0.5
191.06979	0.4
192.07817	0.6
193.08580	17.1
194.08871	0.4
201.09007	2.0
203.08693	0.6
203.10518	0.4
205.08629	1.2
207.10094	0.9
213.24889	0.3
218.09331	0.5
219.10126	1.9
231.08080	0.4
233.11606	2.1
237.11148	2.3
245.55521	0.4
248.08232	0.4
263.10498	0.8
291.10138	0.7
295.13205	0.6
323.12708	1.7
355.15381	3.9
379.89197	0.3
381.76877	0.3
387.17953	1.2
405.18970	1.0
439.91495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
55.01849	1.0
57.03409	1.1
58.47584	0.6
59.04969	0.6
67.05495	1.2
69.03413	2.4
71.04977	11.1
71.61971	1.2
78.04688	2.4
79.05477	5.5
79.57678	0.6
81.03394	2.9
81.07039	1.7
83.04954	1.4
85.02889	2.5
85.06528	2.3
89.05944	0.8
91.05465	3.8
93.07008	1.2
95.04946	2.2
95.08600	1.4
96.79359	0.6
97.02862	2.6
99.04430	1.4
101.02355	1.3
103.05454	4.7
105.03371	0.8
105.07018	6.3
106.02891	1.5
106.04138	1.7
107.03228	0.9
107.04932	7.7
107.08552	1.3
109.02846	2.4
109.06520	1.3
109.10122	0.8
111.08034	0.9
113.05988	7.1
115.05430	2.1
117.05464	3.6
117.06986	1.5
119.04922	0.7
119.08559	1.1
121.06474	1.8
121.10119	0.8
122.03613	0.7
123.04408	7.5
123.08047	1.2
124.03922	4.5
124.05179	3.1
124.07569	2.7
125.04258	1.9
125.05975	1.2
127.03892	3.4
127.07512	3.7
129.06978	0.9
131.04880	5.8
131.07033	1.1
131.08571	0.9
132.05733	0.9
133.06473	6.1
133.10089	0.7
133.18111	0.6
135.04364	0.8
135.08049	1.7
137.05966	4.2
139.07532	1.6
142.08641	1.9
143.04869	0.9
145.06592	3.6
145.08569	13.3
145.09868	1.1
147.04358	2.9
149.05968	1.4
149.09630	0.8
151.03893	2.3
151.07529	2.8
152.04626	1.8
153.05464	0.7
155.07033	0.8
158.07137	0.9
159.08015	0.9
161.05965	7.5
163.07507	14.8
167.07010	100.0
168.07503	4.8
169.08177	2.2
173.05894	1.6
173.08199	1.1
173.09624	1.3
175.07527	2.5
177.05461	1.3
177.09076	2.6
179.06987	2.5
181.05045	1.1
181.08546	4.1
182.09068	0.6
187.07571	2.0
191.07042	0.9
192.07840	1.2
193.08578	17.4
197.08003	0.9
201.09018	1.6
205.08562	1.1
215.09128	0.7
217.08582	1.1
219.10095	2.4
220.10469	0.7
233.11694	3.0
237.11168	1.5
251.07413	1.1
261.13101	1.0
263.10388	0.7
268.08282	1.0
269.08423	1.6
275.11154	2.1
323.12766	1.5
345.15509	0.7
355.15320	4.5
387.17999	1.3
405.13333	1.6
405.18396	0.9
421.49609	0.7
423.14505	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.8
53.42609	0.9
55.01865	1.4
55.05493	2.5
57.03429	8.3
59.04987	7.4
67.05492	1.8
69.03416	8.5
69.07054	1.1
69.78802	4.4
70.85586	0.8
71.04980	65.4
73.02897	1.3
74.33204	0.8
78.03431	2.2
78.09937	0.8
79.05465	1.7
81.03407	12.7
81.07040	2.4
82.78686	0.8
83.04962	2.8
85.02892	12.4
85.06525	12.1
86.09682	1.8
89.06006	4.5
91.05464	1.2
93.07040	1.6
95.04952	3.5
95.08588	1.7
96.04464	1.1
97.02871	15.6
97.06495	1.6
97.10167	1.0
99.04441	6.5
101.06010	1.8
103.03909	1.1
103.07580	1.5
105.06982	0.9
106.02915	7.5
107.03233	3.7
107.07047	1.2
107.08577	0.8
109.02856	10.2
109.06507	3.2
109.10101	0.9
109.17116	1.0
111.04394	1.6
113.05997	5.7
115.07558	3.0
117.05470	18.4
119.04941	0.8
119.08564	1.1
121.10115	1.2
122.59282	0.8
123.04385	1.0
124.03928	11.8
125.04275	6.0
125.05953	1.0
127.03896	19.5
127.06607	1.3
127.07537	22.4
128.04214	0.9
128.10689	2.2
129.05424	2.9
131.07018	18.7
137.02333	5.3
137.05930	5.3
138.02711	2.7
139.07538	0.8
141.05455	1.2
143.07031	9.6
145.04922	3.0
145.08569	100.0
146.08994	1.3
149.05930	1.0
151.03868	1.6
151.07457	1.0
152.06990	0.9
155.06999	4.6
156.10110	1.3
167.06956	1.8
173.08058	4.5
185.08054	2.1
187.05977	1.1
189.03987	0.9
190.48889	0.7
197.08052	7.3
210.23955	0.7
215.09116	3.5
225.14687	0.8
243.12288	1.3
250.07016	3.3
251.07495	4.9
251.11220	3.3
257.09888	0.9
261.13278	3.2
262.10684	1.1
268.08167	2.8
269.08487	5.2
275.11237	10.1
299.11130	1.8
317.12338	1.1
345.15469	3.3
363.16370	1.2
387.16382	3.5
405.10068	3.6
405.17410	3.5
423.10837	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	423.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27827	0.8
53.03920	2.3
55.01852	1.9
55.05496	1.4
57.03423	1.8
57.07065	1.1
59.04985	1.4
62.01400	0.8
67.05503	4.0
69.03416	7.7
69.07045	1.1
70.62120	0.9
70.62446	2.3
71.04978	68.1
73.02892	4.8
79.05470	2.1
81.03400	9.9
81.07044	4.0
83.04952	1.9
83.08630	0.8
85.02891	9.9
85.06530	11.3
89.06012	4.1
91.05445	2.9
93.07030	3.9
95.04946	4.8
95.08601	4.2
97.02864	13.4
97.06509	2.1
99.04430	6.3
105.07001	3.2
107.04927	2.3
107.07027	1.0
107.08567	2.0
109.02869	6.8
109.06474	1.6
109.10114	2.4
111.04441	1.5
111.08041	1.1
113.05978	7.9
117.05465	20.4
119.08533	1.8
121.06491	1.5
121.10139	2.7
122.10478	0.9
123.04398	1.7
123.08040	1.9
124.12163	0.8
125.05967	8.5
125.09554	1.0
127.03881	14.1
127.06605	1.4
127.07533	21.7
130.64723	0.8
131.04898	1.1
131.06996	6.5
131.08504	1.1
133.06500	1.0
135.08034	1.2
137.05940	3.0
137.09612	1.5
138.10034	1.1
139.07538	1.2
141.05461	1.2
143.07018	1.0
145.04901	2.9
145.08568	100.0
146.08885	2.4
147.04410	1.5
147.11607	1.3
149.05954	3.1
149.09581	1.3
151.03876	17.0
151.05002	1.2
151.07549	1.6
155.07007	2.6
158.77174	0.8
161.05923	1.6
162.05405	1.1
167.06998	10.4
173.08064	3.3
177.05431	1.3
179.06960	5.4
181.04953	1.1
181.08630	0.8
185.08070	2.3
187.14761	0.8
191.07071	1.1
193.08549	1.6
197.08047	15.3
200.43036	0.9
211.09572	1.2
215.09113	3.7
225.14775	1.9
226.15057	2.3
227.04205	0.8
230.26453	0.9
233.10144	1.4
243.12320	1.7
243.19395	1.1
251.11263	3.0
257.09949	1.1
261.07291	0.9
261.13245	3.7
275.11191	11.5
275.28778	0.9
317.12451	1.0
345.15271	2.4
387.16379	2.9
405.17334	5.3
423.20703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
54.27373	0.9
55.01853	3.4
55.05482	2.4
57.03412	3.4
57.07049	0.9
59.04994	5.1
60.04504	1.2
60.87017	0.9
61.01144	6.1
67.05480	2.5
69.03403	3.6
69.07047	2.5
71.04977	9.6
71.61854	1.7
72.04501	9.8
73.02906	2.6
73.06509	1.2
78.03340	1.1
78.03773	13.6
78.04184	1.8
79.05473	1.9
81.03401	5.1
81.07032	2.1
82.07350	0.8
83.04955	3.0
85.02892	14.0
85.06544	4.7
86.03178	1.3
86.06046	1.2
86.09680	2.1
88.02188	4.8
91.05447	4.1
91.25433	0.9
93.07014	2.2
95.04951	3.0
95.08581	1.8
97.02863	3.9
97.06499	1.5
98.02406	1.1
99.04451	6.8
99.05542	2.8
101.06009	1.4
102.03751	20.5
103.02153	1.9
103.03912	11.2
104.01675	1.0
105.06993	2.8
106.07333	1.1
107.04918	5.9
107.08546	2.6
108.05253	1.7
108.08891	1.3
109.02862	5.6
109.06509	2.3
111.04417	1.3
111.24706	1.1
113.05997	3.1
114.03720	3.8
114.50093	1.1
115.07556	1.8
117.07036	1.1
118.03262	1.0
119.08546	3.7
120.04777	4.3
120.08858	1.9
121.06442	2.2
121.10116	1.8
123.04372	2.4
123.08006	2.6
124.03847	1.0
124.07561	1.5
124.08378	1.6
125.05916	1.5
126.05482	15.7
127.03903	11.7
127.07523	2.2
128.10629	1.2
131.06276	8.5
131.07152	1.9
131.08539	1.3
132.04773	13.6
133.06479	1.0
133.10132	1.7
135.11635	1.2
137.05922	2.1
137.09549	1.4
141.06543	1.1
142.08591	4.8
143.06982	6.7
145.04874	1.9
145.08572	9.5
146.10411	1.5
147.05705	1.3
147.07996	1.2
149.07413	43.2
150.10020	1.1
151.03853	1.3
152.07011	1.5
154.08594	2.0
155.07022	1.2
156.06523	2.0
158.02679	1.1
159.05801	2.5
159.11713	1.2
161.13220	2.1
162.13564	1.3
163.03894	1.0
163.11118	8.1
164.11446	8.3
167.07054	1.4
172.12024	1.3
175.05280	2.0
177.12747	2.5
178.13068	3.2
180.06493	11.3
181.12192	1.2
183.06517	2.0
184.09567	1.5
189.12688	2.4
190.13097	4.5
195.06419	1.4
196.14064	1.7
198.07576	3.7
207.13754	3.8
208.14102	6.2
216.08615	2.0
225.14848	6.3
226.15111	8.8
231.11514	3.0
243.15831	3.5
244.16159	6.5
253.09641	1.4
257.09433	1.3
261.12564	3.4
275.10712	2.8
293.11597	100.0
294.11929	4.8
299.10266	2.9
327.09756	4.8
344.03033	1.1
345.10733	4.9
387.11746	3.3
403.53543	1.0
405.12671	5.1
405.17059	31.4
406.17239	2.0
423.13477	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	423.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.9
55.01867	1.6
55.05501	3.7
57.03431	8.7
57.07048	1.5
59.04986	1.8
61.02913	4.0
67.05485	6.1
69.03416	25.4
69.07053	6.4
71.04983	9.1
71.61202	2.3
73.02902	6.9
75.04465	3.2
77.18790	1.4
79.05486	1.8
81.03411	13.9
81.07024	2.8
83.04967	16.1
85.02893	42.4
85.06547	3.9
87.04456	4.4
89.06026	2.1
91.05451	1.9
95.01317	45.5
95.01938	2.2
95.04971	8.6
96.01696	1.6
97.02869	13.4
97.06499	9.3
99.04426	3.3
101.02378	2.2
101.06015	9.9
107.04964	2.0
107.08588	1.9
109.02866	16.6
111.04424	5.2
111.08082	1.8
113.02352	94.1
113.05983	22.5
115.03888	2.0
119.08527	2.9
121.02855	7.2
122.03179	5.4
123.04436	3.2
125.02312	3.9
125.05994	7.3
127.03908	19.4
129.05464	100.0
131.07022	13.4
137.05922	2.8
137.08089	1.9
139.03906	5.4
139.07494	2.5
140.04314	2.1
143.07001	9.7
145.04950	3.7
147.04411	2.1
149.08112	7.4
153.01852	7.4
155.07040	2.6
157.04919	3.1
162.13620	1.6
165.05486	1.9
167.09180	4.5
183.06509	2.5
201.88646	1.6
209.15378	3.2
221.04338	2.2
225.14886	2.6
226.14906	1.7
234.99011	2.2
239.05455	7.6
257.06516	12.4
261.13025	2.9
277.03455	2.9
284.08185	1.8
291.10767	2.5
423.13574	2.4
423.18301	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
56.96546	1.4
57.03410	1.0
58.99582	5.5
61.02902	1.4
67.05497	5.6
69.03423	6.0
69.07058	16.3
69.96272	2.2
69.96690	0.6
71.04982	0.5
73.02899	0.9
76.02212	3.1
81.03410	2.7
85.02425	0.7
85.02893	11.9
86.99026	0.5
87.04443	0.7
88.03967	1.2
91.03933	0.5
91.05457	0.6
93.07026	1.0
95.04962	2.9
96.04475	0.4
97.02872	4.0
98.97559	2.0
99.02665	2.3
99.04420	0.8
101.04229	38.6
102.03751	0.9
105.00072	0.5
105.85421	0.4
109.02831	1.6
110.06037	1.4
110.97472	0.4
112.07578	2.4
116.98606	1.4
119.01878	0.5
121.02819	0.4
122.02728	0.9
123.04416	0.7
124.07589	0.8
126.05569	0.7
127.02119	4.8
127.03891	3.1
127.05784	2.2
128.98607	0.7
129.03716	2.2
131.04875	0.6
134.99654	0.5
136.83702	0.4
137.05875	0.6
138.05472	1.5
140.07039	8.0
142.72311	0.4
145.04967	1.2
148.66864	0.5
149.05930	0.6
152.05313	0.5
153.01802	5.1
154.08644	0.5
155.01608	1.8
158.99554	0.5
161.01201	1.1
161.25890	0.5
164.05095	0.5
167.07014	2.0
168.04735	1.1
170.06355	2.9
171.06519	0.7
172.04250	100.0
173.04616	1.0
177.00690	0.9
177.05467	1.0
180.04842	2.2
182.08072	3.4
197.07381	3.2
198.05838	4.4
206.08118	0.9
209.08118	1.0
214.05301	10.4
215.08479	5.2
219.01752	1.0
232.06149	0.5
237.02846	0.8
238.05278	0.9
239.08302	0.7
244.06354	8.4
244.08778	0.6
248.09229	0.6
253.04938	0.5
257.09644	0.8
261.09003	14.2
284.11331	0.9
286.07440	2.0
302.12344	0.7
303.10031	1.7
316.08350	0.7
334.09573	4.0
339.10245	0.8
343.07852	0.7
359.12531	0.8
371.20831	0.5
377.09329	0.8
377.13745	9.2
388.10507	0.5
423.14273	60.4
424.14877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1258
Annotation	SC-51089
Peak:m/z	Relative Intensity
55.01860	1.5
57.03430	1.4
58.99563	1.1
61.02889	1.3
67.05481	1.8
68.72722	1.0
69.03393	3.4
69.07040	3.2
71.61755	2.0
72.51849	1.0
76.02218	1.9
81.03391	1.1
85.02882	6.8
97.02863	5.3
101.04226	7.9
104.07086	2.4
109.02871	1.1
112.07595	1.0
112.45768	1.3
113.03534	1.2
117.46065	1.1
118.01245	1.1
119.01887	1.7
125.43778	1.1
127.03880	3.5
140.07047	2.4
143.01872	1.2
145.03409	1.3
147.04974	1.2
153.01820	8.9
155.01807	2.2
157.03432	1.8
161.02945	2.9
172.04242	23.7
173.02927	1.5
185.02882	1.9
198.05800	1.4
203.03931	2.0
214.05348	1.5
215.08456	1.7
221.04982	2.2
244.06285	1.4
246.85349	1.4
252.06123	1.6
252.08426	3.9
252.58376	1.3
261.08929	3.3
265.01712	1.1
307.08746	1.3
321.10306	1.2
377.13544	1.9
423.12598	100.0
424.13019	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	422.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01856	7.8
55.05501	4.4
56.05011	2.5
56.17809	2.1
57.03424	10.0
58.99557	1.9
59.04982	3.3
59.09203	1.6
61.02920	3.9
67.05484	7.0
68.16248	1.8
69.03134	1.7
69.03423	19.5
69.07057	17.3
70.06583	18.4
71.04996	9.3
71.61620	3.3
73.02902	4.1
76.02217	2.2
76.04002	2.8
78.03442	9.4
79.05489	5.7
81.03413	21.6
81.07043	18.5
83.04980	10.0
84.04477	6.3
85.02901	36.6
85.04033	3.1
85.06534	5.4
87.04435	3.0
91.05466	14.2
92.05791	2.5
93.07033	16.2
95.04959	8.5
95.08595	13.4
96.04449	2.2
97.02879	18.4
97.06516	16.8
98.97589	3.7
99.04443	27.1
99.08060	2.5
104.76880	1.9
105.07021	15.1
106.02898	27.4
107.04941	43.1
107.08583	18.0
108.05197	2.3
109.02859	20.2
109.06535	9.1
109.10129	10.5
111.08096	3.8
112.07603	13.2
113.05999	6.7
115.03914	2.1
115.07554	1.9
117.06963	2.4
119.04929	2.9
119.08567	24.5
121.06534	11.6
121.10133	20.6
122.07254	2.4
123.04400	2.7
123.08064	22.3
123.11674	4.6
124.03947	47.5
125.02333	4.0
125.05959	7.7
125.09622	5.3
127.03899	26.8
127.07544	5.3
130.04982	6.9
131.08574	3.5
133.06453	4.7
133.10156	9.8
135.08009	6.4
135.11697	10.2
137.02348	16.0
137.05946	5.5
137.09610	10.7
138.09093	5.8
139.11118	2.5
140.07054	15.4
141.09032	3.5
143.03391	2.8
143.08490	3.2
145.04898	7.1
145.06030	1.7
145.10098	10.2
147.04454	2.6
147.07933	4.3
147.11627	7.6
149.09575	10.4
149.37518	2.0
151.03957	2.9
151.07541	12.8
151.11177	2.8
153.01813	100.0
154.02119	4.9
155.10634	2.9
158.08107	2.2
159.11641	7.3
161.09662	2.2
161.13248	14.0
162.02193	5.1
163.11163	93.0
164.11519	2.8
165.09106	2.1
165.12776	5.0
167.07010	2.8
167.10678	3.2
168.06546	12.7
169.08574	5.3
169.12251	3.4
171.02863	11.9
171.11636	4.1
173.08032	3.9
175.11247	2.0
177.03288	8.3
177.12732	16.6
179.14320	5.5
181.12190	13.6
183.13707	3.2
186.07562	3.5
189.12753	18.1
190.08990	3.8
190.18283	1.9
193.12122	2.5
195.13806	15.1
207.13779	42.5
225.14828	90.1
226.15190	3.0
243.15903	54.3
244.16269	2.5
250.07068	11.5
255.11205	2.1
260.09464	8.7
268.08099	15.0
276.08865	3.1
281.09717	2.2
288.89230	2.0
293.11743	4.1
297.05908	7.7
301.11703	4.2
315.07065	19.9
402.49127	2.1
404.09729	6.3
422.10886	7.2
422.16138	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	422.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48053	1.6
55.01861	6.8
55.05503	9.0
57.02356	1.5
57.03429	4.1
57.07072	3.1
59.04990	2.0
67.05490	6.4
69.03423	26.9
69.07053	8.6
70.03751	3.6
70.91409	4.4
71.04976	7.0
73.02900	4.7
74.00627	2.3
79.05463	5.5
81.03392	11.1
81.07052	13.9
83.04972	16.7
84.04498	4.2
85.02887	14.6
85.06538	4.9
87.04456	7.7
88.04799	2.8
91.05463	12.5
93.07055	9.6
95.04941	7.1
95.08591	25.6
97.02877	9.4
97.06504	16.1
97.10138	4.0
99.04439	3.2
103.05421	2.2
105.05502	2.9
105.07024	13.9
106.02897	10.0
107.04957	4.1
107.08585	18.4
109.02209	1.9
109.02838	9.3
109.06494	19.5
109.10148	5.2
110.03134	1.9
111.04369	2.4
111.08054	3.4
111.83910	2.0
113.06001	6.7
115.03942	4.1
115.05485	1.8
115.66490	1.7
116.01656	4.6
116.04191	2.4
117.07008	2.4
119.08567	17.5
121.06497	2.4
121.10107	14.5
123.08041	20.1
124.03938	12.7
126.09154	3.8
127.03925	8.4
127.07529	6.2
130.04984	3.6
131.07085	2.1
131.08562	2.9
133.04935	6.4
133.06494	4.8
133.10095	5.4
135.11670	25.2
137.02325	4.2
137.05969	2.0
137.09601	6.4
138.09148	4.7
139.07538	3.1
139.11168	1.7
144.04829	2.0
145.04935	5.4
145.10049	2.6
147.08034	3.3
147.11684	9.2
149.07378	3.9
149.09575	6.6
151.07510	18.7
153.01802	14.4
155.10669	6.2
159.11659	3.6
161.13231	15.2
162.02206	5.4
163.11172	6.6
165.12769	1.9
167.03427	4.2
167.07051	2.2
167.10626	8.7
169.08548	9.1
171.02873	2.3
171.11734	2.6
177.03217	5.3
177.12753	6.0
179.14328	5.1
189.12715	12.8
190.08972	4.5
195.13776	8.1
207.13779	100.0
208.14131	3.4
225.14812	77.4
226.15187	4.4
243.15878	7.3
250.07047	7.0
260.09485	6.6
268.08231	6.3
276.08920	4.9
291.10739	2.2
292.11011	3.0
293.11557	11.4
315.06876	3.4
347.12567	2.0
404.09732	3.8
405.12656	2.7
405.17136	2.1
419.37665	1.9
422.10547	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	422.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82139	0.8
55.01836	1.0
55.05505	6.1
57.03416	2.7
59.04973	1.4
67.05495	4.4
69.03403	3.6
69.07051	6.4
71.04983	8.5
71.53508	0.8
79.05476	4.4
81.03396	4.2
81.06571	1.7
81.07042	31.5
81.65433	0.9
83.04972	7.6
83.08604	1.9
85.02889	8.7
85.06548	4.5
85.33659	0.9
91.05456	2.2
93.06997	5.2
95.04950	5.5
95.08587	11.3
97.02872	3.9
97.06500	2.5
97.10147	2.6
99.04439	26.5
99.08082	6.9
101.05988	1.2
105.07008	3.4
106.02895	1.4
107.04933	1.7
107.08575	9.3
109.02837	3.0
109.06503	7.0
109.10126	5.9
111.08061	3.7
113.05965	2.4
115.03883	2.2
115.07554	2.0
117.05483	1.8
119.08538	3.6
121.10138	6.3
123.08057	5.5
123.11700	7.7
124.03916	3.7
125.05978	1.0
125.09603	1.3
127.03875	3.0
127.07542	7.7
127.11147	2.7
129.09099	1.4
133.10094	1.3
135.11646	1.1
137.05925	1.6
137.09593	1.5
137.13229	10.2
139.05066	0.9
139.11177	1.6
140.03358	2.1
141.09071	3.8
143.10565	1.0
145.04907	1.8
145.08575	8.5
147.11678	7.0
149.09557	3.1
151.07556	1.4
151.11127	5.4
156.06543	1.0
161.13182	2.4
163.11160	1.1
165.12741	10.4
167.07054	1.7
167.10652	2.8
171.10175	1.1
181.04947	1.0
183.13783	10.1
189.12653	1.3
199.13249	1.3
207.13763	6.5
225.14819	100.0
226.15135	2.6
243.15895	7.2
257.53369	1.0
260.06265	1.7
268.08084	2.0
423.12512	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01850	2.8
55.05489	3.9
56.90536	1.4
57.03428	3.1
57.07050	1.9
58.62754	1.3
59.04973	1.7
61.02918	2.0
65.03944	2.2
67.05494	5.3
69.03425	12.8
69.07074	3.2
69.46802	14.0
71.04981	87.6
72.26389	1.6
73.02922	2.2
79.05476	5.0
81.03412	13.5
81.07054	11.8
83.04969	13.2
85.02894	20.2
85.06538	10.2
89.06000	1.6
91.05466	7.2
93.07037	13.1
95.04939	6.0
95.08583	13.7
97.02871	16.1
97.06503	3.7
99.04429	7.0
105.07021	12.6
106.02905	9.3
107.04928	10.0
107.07058	2.5
107.08574	16.1
109.02883	12.9
109.06509	10.1
109.10143	3.6
111.04406	2.7
111.08051	2.0
113.05984	12.0
117.05468	5.5
117.07018	1.8
119.08553	15.3
121.02885	8.8
121.06488	14.6
121.10101	12.1
123.08039	13.5
123.11678	4.7
124.03944	10.0
124.07575	5.0
125.05981	3.4
127.03903	20.8
127.07518	22.4
129.05473	1.8
131.03412	2.0
131.07008	6.7
131.08543	3.5
131.45781	1.6
133.06450	4.5
133.10107	7.9
135.08052	2.9
135.11694	9.8
137.02351	5.6
137.05937	4.6
137.09590	11.8
138.09109	21.9
139.03889	6.6
139.07510	3.1
145.04877	3.8
145.08574	100.0
147.04372	2.5
147.08073	2.6
147.11623	7.9
149.09599	11.8
151.03856	2.0
151.07492	15.5
155.07007	2.7
156.09279	1.7
159.11749	3.4
161.13222	11.1
163.11154	17.9
163.14899	1.7
167.07004	4.8
167.10657	3.8
169.08585	3.3
171.11646	4.6
175.07497	2.5
177.12737	14.0
179.14240	2.3
181.08580	4.0
181.12230	6.2
185.08136	1.7
187.05988	3.4
189.12669	17.0
195.13806	8.0
197.08122	3.1
207.13773	68.9
208.14172	2.6
225.11208	4.7
225.14821	36.4
243.08734	2.4
243.15912	12.7
244.09250	2.0
245.09811	3.5
250.07037	2.0
251.11140	1.6
261.13452	2.4
268.08026	5.2
275.11139	7.9
285.09189	2.1
345.15045	2.0
387.16187	1.9
405.16946	3.1
423.17700	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48053	1.6
55.01861	6.8
55.05503	9.0
57.02356	1.5
57.03429	4.1
57.07072	3.1
59.04990	2.0
67.05490	6.4
69.03423	26.9
69.07053	8.6
70.03751	3.6
70.91409	4.4
71.04976	7.0
73.02900	4.7
74.00627	2.3
79.05463	5.5
81.03392	11.1
81.07052	13.9
83.04972	16.7
84.04498	4.2
85.02887	14.6
85.06538	4.9
87.04456	7.7
88.04799	2.8
91.05463	12.5
93.07055	9.6
95.04941	7.1
95.08591	25.6
97.02877	9.4
97.06504	16.1
97.10138	4.0
99.04439	3.2
103.05421	2.2
105.05502	2.9
105.07024	13.9
106.02897	10.0
107.04957	4.1
107.08585	18.4
109.02209	1.9
109.02838	9.3
109.06494	19.5
109.10148	5.2
110.03134	1.9
111.04369	2.4
111.08054	3.4
111.83910	2.0
113.06001	6.7
115.03942	4.1
115.05485	1.8
115.66490	1.7
116.01656	4.6
116.04191	2.4
117.07008	2.4
119.08567	17.5
121.06497	2.4
121.10107	14.5
123.08041	20.1
124.03938	12.7
126.09154	3.8
127.03925	8.4
127.07529	6.2
130.04984	3.6
131.07085	2.1
131.08562	2.9
133.04935	6.4
133.06494	4.8
133.10095	5.4
135.11670	25.2
137.02325	4.2
137.05969	2.0
137.09601	6.4
138.09148	4.7
139.07538	3.1
139.11168	1.7
144.04829	2.0
145.04935	5.4
145.10049	2.6
147.08034	3.3
147.11684	9.2
149.07378	3.9
149.09575	6.6
151.07510	18.7
153.01802	14.4
155.10669	6.2
159.11659	3.6
161.13231	15.2
162.02206	5.4
163.11172	6.6
165.12769	1.9
167.03427	4.2
167.07051	2.2
167.10626	8.7
169.08548	9.1
171.02873	2.3
171.11734	2.6
177.03217	5.3
177.12753	6.0
179.14328	5.1
189.12715	12.8
190.08972	4.5
195.13776	8.1
207.13779	100.0
208.14131	3.4
225.14812	77.4
226.15187	4.4
243.15878	7.3
250.07047	7.0
260.09485	6.6
268.08231	6.3
276.08920	4.9
291.10739	2.2
292.11011	3.0
293.11557	11.4
315.06876	3.4
347.12567	2.0
404.09732	3.8
405.12656	2.7
405.17136	2.1
419.37665	1.9
422.10547	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	422.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
56.11169	0.5
57.03411	0.6
67.05482	0.7
69.03417	4.8
69.07052	0.6
70.06574	1.7
70.29451	0.9
70.29807	1.8
71.04976	1.2
73.02904	0.9
79.01820	1.1
81.03412	6.4
81.07026	1.3
83.04965	0.8
84.04448	0.7
85.02897	6.7
86.99028	0.7
91.05472	1.3
93.07030	1.8
95.04958	0.9
95.08589	1.2
97.02883	5.0
99.04439	1.4
105.00094	1.9
105.07014	1.5
106.02922	2.1
107.01322	0.9
107.04940	1.0
107.08574	1.3
109.02856	5.5
109.06454	1.1
109.10159	0.8
111.04435	0.5
112.07607	1.6
115.04000	0.7
119.08538	1.3
121.10094	0.8
123.04402	0.6
123.11743	0.7
124.03951	3.3
125.02336	3.1
127.03890	9.6
135.77866	0.6
137.02330	2.7
137.05937	1.2
137.09610	1.1
138.09116	4.0
139.03885	0.6
140.07086	1.3
143.03397	3.3
145.04955	1.6
145.10103	0.8
146.47397	0.5
147.08026	2.3
147.11688	1.2
151.07469	1.1
153.01813	100.0
154.02168	1.8
157.06444	0.7
159.11763	0.8
161.13289	1.1
165.05432	0.9
165.09055	0.8
167.07043	1.0
171.02873	14.1
177.12711	0.8
179.07005	1.3
179.10759	0.7
183.06491	1.9
189.09096	1.5
189.12814	0.7
195.13797	0.9
197.08104	0.6
207.10204	3.5
207.11935	0.5
207.12257	0.5
207.13777	3.5
225.07477	1.4
225.11185	1.5
225.14838	3.8
227.09015	0.6
243.15942	0.6
250.07094	1.6
260.09348	3.2
268.08054	1.2
279.05023	0.9
297.05963	7.8
315.07068	29.4
316.07419	1.2
353.82852	0.6
379.09912	0.6
446.31195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73313	2.1
55.01852	2.9
56.05019	2.2
57.03431	4.1
58.99572	11.3
59.06104	2.6
67.05497	3.7
69.03420	7.8
69.07047	6.2
69.58483	13.4
70.06574	2.6
71.04962	2.3
73.02898	4.0
74.00654	4.5
76.02219	82.6
76.03992	5.1
79.01851	2.5
79.05484	7.4
81.03407	5.8
81.40421	2.0
83.04976	3.1
83.06107	2.8
84.04494	32.0
84.04960	3.3
84.08112	2.8
85.02894	17.7
85.04028	7.4
86.03224	2.0
86.99049	4.8
90.05517	3.5
92.01682	3.1
93.96815	2.3
95.04956	4.9
95.81945	1.9
97.02885	10.9
97.06519	100.0
98.97566	2.4
99.05569	8.5
103.08693	5.3
109.02836	5.7
111.04451	2.6
112.03951	2.5
113.02367	2.8
113.03469	3.4
116.01667	23.9
116.98639	3.1
124.03959	4.4
124.07546	2.5
125.02338	4.0
127.03912	32.0
128.04245	15.0
130.04987	26.8
130.06505	4.6
131.00310	1.9
131.04504	4.4
138.09134	3.4
139.03905	3.3
142.03204	6.7
143.03406	5.9
144.01111	12.5
145.06071	7.3
153.01811	64.1
154.02150	25.8
154.03282	2.9
154.06804	2.3
157.07512	2.8
162.02191	38.6
163.03961	4.0
167.07048	2.3
171.02899	7.0
172.03119	3.5
172.07912	3.5
177.03264	31.1
179.04837	88.4
183.06566	3.9
195.04292	2.5
207.13727	4.2
225.07657	2.1
233.05896	19.6
237.02878	3.0
242.09206	11.0
245.05873	3.3
254.05554	3.7
260.10147	7.7
265.56354	3.6
275.10675	5.4
288.06635	2.5
291.06448	3.0
298.06464	4.1
306.07510	8.6
308.09085	62.3
315.07172	6.2
316.07468	6.4
422.16995	2.8
423.12112	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	422.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49395	2.0
53.03938	2.8
55.01854	8.2
56.05024	2.8
56.55900	2.3
56.96550	5.4
57.03431	14.3
58.99580	4.3
61.02927	13.2
63.07462	2.0
63.78350	2.0
67.05479	3.4
69.03069	3.9
69.03425	45.3
70.06570	6.5
71.04958	4.1
71.61272	3.5
72.08134	2.5
73.02916	12.0
74.00657	3.8
74.06038	2.8
76.02215	26.0
76.03974	4.0
79.05495	4.3
80.38649	2.6
80.39176	2.2
81.03405	13.9
81.07050	2.3
83.04977	3.8
83.84553	2.1
84.04502	15.8
84.08117	2.9
85.02894	100.0
85.04013	4.7
86.06100	2.2
86.09692	2.9
86.99017	4.1
87.04445	5.1
90.05545	14.5
91.03967	6.0
92.01707	5.2
93.07024	2.7
93.11301	2.3
95.04920	2.7
95.08646	2.1
97.02886	41.7
97.06525	30.9
98.03180	4.0
98.09630	2.1
98.97589	10.6
99.04444	9.7
99.05566	5.4
101.00854	3.8
101.04218	2.5
103.03902	2.4
104.07083	2.5
105.00232	2.7
109.02840	11.3
109.10168	2.4
111.04421	4.0
112.03935	2.9
115.03921	4.1
116.01651	7.0
116.07059	5.0
116.98611	6.6
119.01904	21.5
120.02006	4.4
121.01617	3.5
121.02856	2.9
125.02259	2.5
127.02172	2.0
127.03899	57.2
128.04218	6.1
128.98636	3.1
129.05489	4.6
130.05003	18.2
131.01910	10.5
131.04675	2.2
132.01845	2.1
133.03474	5.0
133.05002	2.3
134.70107	2.1
136.07532	2.2
137.02881	5.2
138.03174	2.9
138.05432	3.1
138.09151	8.3
139.03883	5.3
140.07101	3.7
142.03249	2.7
143.01891	12.9
143.03357	3.9
144.01115	2.7
145.01756	2.8
145.03447	12.5
145.04955	23.1
145.06067	5.3
146.03557	4.9
146.99635	5.1
147.05061	2.8
149.02972	3.0
151.03877	8.2
153.01817	75.7
154.02087	4.5
155.01910	8.4
157.03465	7.3
158.03687	3.2
158.06674	2.3
158.99664	3.4
159.04988	4.2
161.01758	2.7
161.02922	18.2
162.02052	10.5
162.51486	2.4
163.02667	3.8
163.03862	6.2
164.04539	2.0
166.08575	2.9
167.02020	3.5
167.07034	3.6
169.03365	4.6
170.03743	3.5
170.06116	4.1
170.99742	3.9
171.01132	10.5
171.02898	2.9
171.04951	7.5
171.06410	3.0
172.04227	9.1
173.02956	18.9
174.03018	5.3
174.04442	2.3
175.02644	3.1
175.04466	5.4
176.04601	3.8
177.00745	5.1
177.03273	23.6
177.05876	4.7
178.04916	2.6
179.04811	27.5
179.07001	2.3
183.04991	8.2
185.02847	15.0
186.03162	4.8
187.04514	7.4
188.04742	6.7
188.07661	3.5
189.00752	3.8
189.02493	2.6
189.05978	4.0
192.05568	3.3
193.03680	3.5
197.02930	3.9
199.04529	3.4
201.00662	3.9
201.06091	3.4
202.05989	2.4
202.09158	3.1
203.04033	12.9
204.04187	3.5
205.03706	2.4
209.03050	3.0
212.04953	2.8
212.07535	2.4
219.01776	7.1
220.10452	2.6
221.05031	10.0
223.04732	4.5
227.04088	4.4
229.04703	2.5
231.03940	3.1
231.07137	5.1
232.03622	3.0
233.05792	6.4
235.06586	3.7
237.02695	3.5
241.05765	3.0
242.08513	3.4
245.05046	27.8
246.05157	4.6
247.06561	4.0
250.07539	9.5
250.57628	4.8
251.07695	4.9
251.55977	3.5
251.59171	6.2
259.06677	4.4
260.06171	14.6
260.09842	6.4
261.02777	6.0
261.08426	3.0
263.06046	5.9
264.07800	2.9
264.57813	2.9
265.07727	3.8
271.56940	3.1
272.06934	2.5
273.08228	11.6
273.58340	3.8
275.06055	6.1
275.10626	3.3
277.03500	3.2
277.07755	5.3
279.03879	3.2
286.07712	2.7
287.05191	2.5
288.06567	2.9
303.01300	2.5
305.11029	3.7
306.07367	7.6
307.08585	3.1
308.09155	19.9
308.12411	3.9
315.07065	2.7
321.10211	9.6
322.10333	2.5
323.08746	3.5
332.08389	15.5
332.58450	4.5
337.09879	4.1
338.10089	3.0
341.08847	9.6
341.58929	5.1
349.09830	9.3
350.10129	3.2
365.09250	5.1
367.10886	4.7
375.07736	4.1
380.07309	4.5
422.10550	19.7
423.12711	28.6
425.11496	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	422.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.9
53.03930	3.2
55.01865	1.4
55.05501	1.0
57.03433	1.4
66.19730	0.7
67.05496	1.2
69.03419	8.4
69.07060	1.4
71.04972	3.8
71.11076	1.6
73.02895	1.7
78.03433	13.4
79.05474	2.6
80.05003	2.6
81.03407	15.9
81.07040	3.1
83.04922	1.0
85.02895	11.7
85.06538	0.9
91.05457	9.8
93.07035	2.1
95.04942	1.5
95.08612	1.6
96.04490	4.0
97.02885	5.5
97.06501	1.4
99.04444	4.9
99.08082	1.0
103.05427	0.8
105.07034	3.3
105.97632	0.7
106.02898	65.6
107.04929	3.8
107.08575	2.2
109.02868	11.5
109.06499	1.5
111.08038	1.6
114.98325	0.7
115.07547	1.2
116.01659	0.7
119.04919	6.4
119.08578	1.8
121.06513	1.2
121.10122	2.2
123.04415	2.8
123.08067	1.1
124.03936	100.0
125.04266	1.6
125.05982	1.7
127.03915	6.7
127.07517	0.8
131.04906	1.3
133.06438	0.8
133.10115	1.6
135.04390	1.1
137.05954	40.5
137.09569	1.3
144.01102	1.2
145.04918	1.1
145.06488	1.2
145.08601	1.9
147.11662	1.3
149.05971	0.8
149.09639	1.0
151.07492	1.1
153.05411	2.8
159.08249	0.8
161.06021	1.5
161.09557	1.3
161.13210	0.9
165.09137	2.1
165.12811	0.8
166.04956	2.0
167.07019	8.5
168.07759	8.6
180.07571	0.7
181.04866	1.0
181.12256	1.3
183.06525	1.4
184.06842	1.1
187.07501	0.9
189.12683	0.9
193.08569	2.0
194.08859	0.8
196.06114	1.1
207.10156	1.6
207.13748	2.8
224.10278	0.9
225.14792	7.1
228.06519	2.1
232.05896	1.6
243.15894	2.7
250.07092	26.6
255.11528	0.9
260.09024	0.8
260.16473	1.3
268.08121	42.7
269.08356	1.4
404.13367	31.1
422.14386	42.4
423.14551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
51.02372	1.5
53.03930	3.2
55.01861	1.1
57.03411	1.5
61.02913	0.5
67.05492	0.5
69.03063	0.7
69.03419	8.6
69.07041	0.5
69.53905	3.6
71.04984	3.3
71.72322	0.4
72.87160	0.4
73.02910	0.5
76.27011	0.4
78.03442	18.0
79.05439	0.4
79.88543	0.4
80.04992	2.0
81.03405	23.4
81.07021	0.6
85.02892	9.1
85.06508	0.7
92.08732	0.4
93.07028	0.7
95.04950	0.4
95.08591	1.6
96.02116	2.1
96.04474	6.0
97.02879	6.9
98.03168	0.5
99.04449	3.9
105.07042	0.8
106.02900	78.6
107.03230	1.3
107.04961	0.6
107.08599	0.7
107.27950	0.4
109.02865	14.2
109.06446	0.5
109.10160	0.6
111.04359	0.5
113.05989	1.0
117.05476	0.5
119.08571	1.3
121.02858	1.0
121.10113	0.6
123.08048	0.5
124.03938	100.0
125.04294	2.0
127.03910	10.6
127.07542	0.6
133.10103	0.7
137.02318	57.5
137.09648	0.5
138.02679	0.9
145.04987	1.3
145.08592	1.4
153.01869	0.5
155.03363	0.9
155.10640	0.7
161.13295	0.9
163.11066	0.8
166.04987	1.2
167.07076	0.5
177.12778	0.5
188.03732	8.7
189.12712	1.1
190.04799	0.5
196.06070	1.3
202.04939	0.7
207.13809	1.8
208.06085	0.7
225.14790	3.4
229.59497	0.4
232.06070	1.1
243.15929	1.1
250.07080	39.9
251.07445	1.5
268.08121	44.6
269.08417	1.1
304.18762	0.4
314.06851	2.6
332.07797	0.6
345.27316	0.5
404.09711	21.3
405.10266	0.5
422.10730	30.2
423.11053	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.4
57.03421	1.7
60.36600	1.8
61.02908	4.8
69.03419	12.5
70.06564	2.2
71.04948	2.0
71.60980	2.5
73.02887	6.1
76.02213	4.2
80.16089	1.6
81.03393	5.6
84.04468	2.8
85.02428	2.0
85.02900	29.3
86.09715	1.8
87.04432	2.1
91.03914	2.2
97.02891	10.5
97.06529	8.1
99.04411	2.3
109.02811	3.5
119.01926	9.3
120.01981	4.0
121.02828	3.8
121.84593	2.0
127.03880	13.9
130.04971	4.0
131.01836	4.0
134.03528	2.1
138.09074	5.8
139.03918	1.9
143.01834	2.9
145.03418	2.6
145.04980	8.7
146.03526	5.1
147.78810	1.8
153.01808	18.1
161.02922	4.2
161.05531	2.2
163.04503	2.9
169.03322	2.0
171.01137	3.3
173.02904	5.2
177.03165	3.9
179.04811	3.8
185.02971	4.4
187.04427	2.4
188.04596	4.1
189.72121	2.6
203.03908	3.4
214.02733	2.3
245.04999	6.8
246.05148	3.3
250.07533	2.0
251.08058	4.6
260.03064	5.7
260.05737	3.1
260.09503	4.9
273.08185	4.1
302.10760	2.2
308.09061	3.4
321.10025	3.2
323.52127	1.8
349.68430	2.0
362.02658	2.2
422.08337	100.0
423.08130	4.3
423.13379	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	421.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.05500	12.0
57.07059	5.7
63.25867	1.5
65.03923	2.0
66.27184	1.1
67.01926	1.1
67.05495	12.3
69.07055	22.7
71.08612	3.0
71.36127	2.7
72.19699	1.1
73.03085	1.2
78.83087	1.2
79.05457	8.8
81.07044	40.6
83.08602	14.1
91.05463	6.0
93.07031	27.0
94.63519	1.2
95.04955	1.6
95.08591	70.5
96.08904	1.8
97.10155	8.5
105.07019	25.9
107.08576	31.7
109.10137	41.1
113.48055	1.4
117.07022	3.1
119.08561	40.6
121.10124	28.9
123.11694	28.1
125.13269	2.0
131.08539	9.4
133.10114	28.4
135.11676	15.1
136.74750	1.2
137.13237	13.9
143.08543	3.7
144.09366	1.9
145.10081	16.8
147.11667	24.8
149.13210	16.7
151.14799	2.8
157.10149	7.0
158.10921	1.4
159.11662	21.0
161.13252	17.8
163.14807	10.0
171.11641	7.3
173.13229	11.8
175.14799	13.9
177.16316	8.7
183.11581	1.8
185.13245	3.9
187.14801	16.1
189.16347	23.7
190.16803	1.4
191.17924	19.7
197.13153	2.7
199.14801	6.1
201.16338	25.9
203.17920	33.5
203.19725	2.3
205.19511	9.2
213.16318	3.1
215.17865	14.4
217.19461	15.1
219.21056	2.6
225.16306	1.4
227.17873	3.8
229.19405	7.0
231.21039	6.9
241.19524	3.1
243.21109	3.7
245.22693	2.7
253.19617	2.1
255.21066	4.7
257.22614	2.1
269.22650	6.2
271.24194	4.5
281.22546	1.7
283.24179	3.6
285.25708	3.1
288.96143	1.4
295.24182	1.9
297.25732	10.4
323.27319	2.1
325.28690	1.8
337.28940	5.6
351.30441	2.4
365.32013	4.4
421.38266	100.0
422.38611	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	421.3668
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03934	1.0
55.01852	2.0
55.05497	9.1
57.03410	0.9
57.07069	5.0
67.05162	1.0
67.05489	12.8
69.03423	0.7
69.06716	1.1
69.07059	15.5
69.59246	1.1
69.59659	3.8
71.08614	4.0
71.18405	0.6
73.98406	0.7
79.05473	2.5
81.07047	6.5
83.08604	9.8
85.06525	1.3
85.10162	1.2
91.05471	6.3
93.07026	37.7
95.04922	1.9
95.08588	24.0
97.06499	1.3
97.10162	6.1
98.21509	1.3
105.07012	2.0
107.08575	6.1
109.06499	1.4
109.10140	4.9
111.08064	18.4
111.11699	2.7
119.08542	3.7
121.06466	2.6
121.10126	2.7
123.08038	2.2
123.11668	1.9
125.09607	1.8
125.13208	0.9
127.07530	3.7
133.10107	2.7
135.11703	1.8
137.09584	1.1
137.13203	0.9
139.07512	20.1
145.10126	1.9
147.11620	2.0
149.09653	1.0
149.13223	1.3
151.11166	1.0
153.09067	12.0
157.08594	4.0
157.09868	0.9
159.11676	1.5
161.13170	1.2
167.10660	8.9
169.10051	0.8
171.11783	0.8
173.13210	1.5
179.10658	0.8
181.12202	6.9
187.14778	1.1
189.16301	1.1
191.17891	1.0
193.12154	0.9
195.13776	5.1
199.14810	0.9
201.16360	1.2
203.18034	1.4
206.57320	0.7
207.13828	2.1
209.15242	3.2
221.15382	1.0
223.16911	1.8
227.17870	0.6
237.18523	0.9
251.20117	1.2
265.21567	1.9
277.21637	1.0
279.23215	0.7
381.61041	0.7
403.35724	24.2
404.36069	2.3
421.36725	100.0
422.37125	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	421.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21043	1.4
53.03933	2.2
53.14994	1.6
55.05255	2.4
55.05503	36.0
57.03428	2.2
57.07066	33.9
61.33177	1.4
66.70628	1.6
67.05497	13.8
68.23273	1.5
69.03430	1.7
69.07062	47.3
69.74188	11.2
71.08622	24.4
79.05486	10.1
81.06633	2.5
81.07049	28.7
83.04974	48.3
83.08609	28.5
85.10172	12.4
86.13759	1.7
88.45915	1.5
91.05459	6.1
93.07032	14.4
94.04259	1.4
95.04918	2.1
95.08598	38.0
97.06502	1.8
97.10162	16.5
98.20784	1.9
105.07021	12.0
107.08577	16.1
109.06491	9.5
109.10143	18.4
111.08085	6.4
111.11698	6.9
113.05988	1.9
119.08569	15.0
121.06499	5.0
121.10141	12.5
123.08050	14.3
123.11687	8.4
125.05971	1.8
125.09534	1.9
125.13259	2.0
127.07541	2.0
131.08519	2.7
133.10091	11.5
135.08023	11.0
135.11652	4.0
137.05952	32.1
137.09630	5.2
137.13232	4.0
139.07521	10.5
143.08623	2.0
145.10083	3.7
146.07288	1.6
147.08029	2.1
147.11705	9.1
149.09587	4.0
149.13226	4.1
151.07454	7.7
151.11154	6.3
151.14835	1.5
151.26970	1.5
155.07008	6.3
157.10072	2.9
159.11658	4.4
161.09616	24.3
161.13266	9.8
164.11847	1.7
165.09125	2.7
165.12727	7.8
166.78062	1.7
171.11711	3.5
173.13208	3.2
175.11151	10.9
175.14793	5.5
177.12750	4.5
179.10666	3.2
179.14275	3.1
187.14781	2.1
189.12758	12.0
189.16350	2.0
193.12248	3.7
195.13791	2.2
203.14294	1.9
207.13747	4.3
324.21014	1.8
347.29306	1.9
356.43469	1.5
357.35318	1.9
375.36179	29.8
376.36450	3.8
385.34735	14.0
403.35696	65.0
404.35812	2.9
421.36710	100.0
422.37320	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	421.3668
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
52.42866	1.4
55.05502	12.9
57.03429	1.6
57.07068	13.7
67.05502	6.1
69.03443	2.0
69.07063	18.4
71.08618	9.7
71.62704	1.7
71.63065	1.7
79.05496	2.0
79.65302	1.3
81.07047	13.5
83.04972	21.6
83.08618	10.1
84.55399	1.2
85.10194	5.6
86.72566	1.4
89.06013	1.4
91.04926	1.4
91.05491	4.6
93.07042	6.8
95.08591	15.6
97.10147	8.6
99.98625	1.4
104.11232	1.6
105.07034	5.2
107.08587	6.9
109.06523	4.3
109.10159	9.4
111.08086	3.9
111.11745	4.2
119.08547	7.9
120.47821	1.4
121.10168	5.2
122.36230	1.4
123.08094	6.3
123.11728	6.2
123.92366	1.4
125.06023	2.9
133.10167	5.6
135.08063	3.4
135.11732	2.6
137.05962	19.4
137.09645	2.3
137.13264	2.0
139.07549	5.3
145.10089	3.4
147.11734	3.3
149.09656	1.9
149.13307	2.2
151.07645	2.5
151.11127	1.7
155.07039	3.6
159.11711	3.5
161.09605	11.4
161.13304	4.3
163.14865	1.6
165.09067	2.0
171.11761	1.7
173.13309	2.4
175.11270	3.5
175.14859	1.9
177.12779	2.7
179.10780	1.9
185.13251	1.5
189.12689	7.1
189.16328	2.2
191.18027	3.0
193.12244	4.2
201.16368	2.4
203.14325	3.1
203.18015	1.7
207.13908	4.1
231.17540	1.7
269.22858	1.6
303.27338	1.5
327.48975	1.6
347.29544	1.8
375.36142	23.5
375.40118	1.8
385.34683	11.3
386.29910	1.4
386.35074	1.7
403.35684	59.1
404.36188	3.1
421.36868	100.0
422.37128	7.0
443.48120	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
53.03930	0.5
55.05502	3.7
56.62901	0.4
56.88338	0.3
57.03441	0.4
57.07063	1.4
65.03953	0.6
67.05493	6.4
69.03421	0.5
69.06705	0.7
69.07056	6.9
71.04634	0.6
71.04987	7.4
77.03916	0.4
79.05482	4.7
81.07048	16.9
83.08604	3.3
85.06541	0.5
91.05470	4.1
92.37248	0.4
93.07027	11.3
95.04948	1.3
95.08594	16.2
97.06550	0.7
97.10169	0.9
97.87142	0.4
98.20737	1.1
99.07530	0.3
99.08048	1.8
105.07016	12.2
107.07852	0.7
107.08579	13.1
109.06523	0.8
109.10139	18.1
111.11713	0.6
113.09681	0.6
115.05400	0.7
115.14149	0.4
117.06970	2.0
119.08565	20.8
121.06428	0.4
121.10127	10.5
123.08075	0.6
123.11692	4.9
125.09595	1.1
127.11176	10.1
128.06223	0.6
129.06972	1.2
130.07745	0.6
131.08548	6.9
133.10114	16.8
134.10417	0.4
135.11668	8.1
137.13231	3.3
141.06982	0.8
141.12782	0.8
142.07764	1.8
143.08522	4.2
144.09283	1.3
145.10103	13.5
147.11659	8.8
147.12788	0.7
149.09766	0.5
149.13229	6.2
151.14784	0.7
153.12724	2.6
155.08588	2.0
155.14273	0.7
156.09311	3.1
157.09070	0.2
157.10109	9.6
158.10852	2.7
159.11670	19.5
160.12051	0.5
161.09729	0.6
161.13234	9.6
163.14804	2.1
167.08574	0.5
167.14320	0.4
168.09351	0.7
169.10100	5.4
170.10924	2.8
171.11665	10.4
172.12390	1.4
173.11731	0.8
173.13234	16.6
174.13765	0.4
175.14803	16.0
176.15099	0.6
177.16321	2.7
179.14262	0.4
181.10107	1.8
181.15770	0.5
182.10884	1.1
183.11658	6.4
184.12436	4.6
184.13924	0.4
185.13234	10.3
185.14827	0.6
186.14038	0.7
187.14798	10.1
189.16356	5.1
191.17923	10.3
191.19566	0.7
193.15845	0.9
195.11658	1.9
196.12399	1.0
197.11462	0.6
197.13239	7.4
198.13803	0.6
199.14799	25.2
200.15274	0.7
201.16351	25.6
202.16751	0.9
203.17935	0.9
209.13248	3.4
210.14026	0.6
211.14792	8.6
212.15469	0.7
213.16353	7.0
214.16891	0.4
215.17952	6.0
217.15909	1.9
217.19456	1.7
221.13200	1.2
222.13896	0.5
223.14743	2.1
224.15538	0.8
225.16360	8.1
226.17015	0.5
227.17931	5.3
229.19479	3.1
229.97914	0.4
231.17464	1.1
233.19008	1.5
235.14822	0.7
235.20549	0.5
236.08318	0.3
237.16321	2.5
238.17039	0.6
239.17967	4.2
241.19357	1.9
243.17383	0.4
243.21088	1.1
243.69513	0.3
245.19009	1.1
247.20604	0.9
249.16451	0.6
251.17993	2.1
252.18750	0.6
253.19467	4.1
255.21060	1.2
257.18976	0.7
259.20563	0.6
263.17926	0.8
265.19583	2.9
266.20355	0.6
267.21011	3.9
268.21808	1.0
269.22571	0.4
271.20599	0.4
275.58160	0.4
277.19540	1.4
279.21078	2.7
281.22565	5.8
285.22064	0.5
291.21039	0.7
293.22556	1.2
294.23398	0.8
295.24155	1.4
299.23663	0.8
305.22568	0.6
311.23553	0.8
313.25214	1.6
319.24130	1.2
321.25912	0.5
323.27286	1.0
325.25150	0.4
329.21103	1.4
333.25500	0.6
335.27289	10.4
347.27164	0.8
351.26779	1.6
365.28259	2.3
393.31564	0.6
403.24789	1.0
403.33530	8.4
404.33936	0.9
421.34607	100.0
422.35007	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	421.2577
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
51.07178	1.4
53.03931	2.5
55.01868	7.4
55.05510	24.1
55.78589	1.3
57.03431	10.6
57.07078	1.8
58.59853	1.3
59.04979	2.2
65.03914	2.9
67.05497	53.9
69.03414	5.9
69.07061	13.8
69.55453	12.3
71.04968	5.1
77.03893	1.4
79.05045	2.9
79.05480	36.0
81.03400	13.1
81.07045	35.7
83.04980	4.5
83.08607	14.8
84.18954	1.4
85.02893	1.9
85.06521	3.9
91.05470	40.0
91.06001	2.8
93.07032	34.9
95.04954	55.8
95.08593	32.6
95.09102	1.3
97.06540	5.9
97.10169	15.7
101.06045	1.8
103.05450	1.9
105.06351	2.7
105.07006	22.7
107.04936	23.7
107.08575	23.8
109.06515	7.8
109.10138	20.7
109.33770	1.3
111.04398	1.6
111.08076	3.5
115.05483	3.2
117.06996	15.6
119.04889	2.8
119.08564	25.9
121.06492	19.6
121.10127	11.7
123.04407	1.8
123.08036	6.9
123.11703	3.4
125.09577	9.3
126.81440	1.7
128.06181	3.2
129.06973	13.3
131.04915	2.6
131.08551	22.5
133.06470	6.1
133.10124	12.3
135.08093	7.4
135.11644	8.7
137.09584	7.0
139.11143	2.6
141.06978	4.0
142.07784	1.8
143.08527	12.2
145.06493	4.8
145.10098	18.0
147.08051	9.8
147.11652	7.8
149.02356	2.8
149.09628	5.6
149.13242	3.9
151.11159	1.4
155.08511	7.9
157.06535	3.3
157.10115	13.5
159.08054	3.5
159.11678	13.7
161.09618	7.0
161.13228	4.0
163.11172	10.7
165.12677	1.7
167.08580	4.9
169.10126	6.2
171.08047	2.1
171.11671	7.3
173.09607	2.5
173.11714	3.9
173.13258	5.3
175.11150	8.6
175.14729	2.0
177.12755	7.7
177.16273	1.6
181.10187	2.0
183.11691	4.9
185.09616	4.6
185.13173	8.8
187.11174	3.9
187.14790	7.0
189.09111	5.1
189.11212	9.0
189.12683	2.0
189.16412	1.8
193.12247	6.4
195.11682	3.3
197.13278	4.4
199.11177	4.7
199.13069	1.6
199.14828	5.2
201.12653	3.5
201.16341	3.8
203.10635	8.6
203.12688	3.8
203.14377	3.6
203.17799	1.6
205.12263	6.5
207.11583	2.1
207.13776	1.6
209.13342	2.1
211.11270	2.4
213.12714	3.0
213.16292	2.7
215.14343	3.3
217.12212	2.6
219.13759	3.1
223.13327	5.2
225.16336	1.7
227.12724	2.4
231.13776	3.3
233.15370	3.0
249.14674	8.3
257.15665	1.6
265.19458	1.6
283.20630	2.7
293.19083	3.9
301.21530	8.3
305.17563	2.3
311.20010	15.3
319.22736	2.8
329.21066	86.7
330.21506	4.2
347.22189	16.4
367.22620	3.4
385.23615	6.0
403.24716	68.3
403.28976	2.9
404.25113	3.2
421.25809	100.0
421.30832	11.5
422.25952	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	421.1335
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02377	0.2
53.03931	0.6
55.01858	0.7
57.03419	0.9
61.02908	0.8
62.84303	0.2
69.03425	1.9
70.79980	0.7
71.01353	0.4
73.02917	1.3
76.02212	1.1
79.01816	0.3
81.03406	1.6
81.04566	0.3
81.07067	0.3
84.04493	0.6
84.08164	0.3
85.02890	4.0
97.02861	1.6
97.06507	1.4
98.17670	0.2
99.04444	0.5
106.02895	0.6
107.01336	0.3
107.03206	0.3
107.04864	0.3
109.02853	1.5
111.05543	0.8
113.02361	0.4
115.03908	0.6
124.03930	1.2
125.02354	0.5
125.04271	0.6
125.07134	0.3
127.03899	100.0
128.04268	1.6
129.10223	0.3
130.04955	0.4
133.04945	0.5
143.03413	0.7
145.04958	0.7
153.01804	11.6
153.06467	0.2
162.02153	0.4
171.02879	1.2
177.03252	0.5
179.04826	1.0
188.86848	0.2
204.81438	0.2
213.43407	0.3
233.05914	0.3
241.15489	0.7
259.13992	0.2
259.16464	1.3
268.08032	0.3
269.08453	0.9
286.54550	0.2
287.85791	0.2
289.09125	4.1
297.05902	0.3
308.09137	1.1
315.06955	1.9
403.20407	0.3
421.16544	2.7
421.21854	1.4
439.77063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.7
55.01846	3.9
55.40859	2.7
56.96552	7.1
57.03427	6.0
61.02916	3.1
61.35128	2.5
62.60919	2.8
65.03921	4.9
67.05496	20.0
69.03428	16.1
70.06596	3.4
70.83848	2.4
71.62116	4.0
73.02908	4.9
78.71573	2.6
81.03413	13.1
81.07053	2.6
84.04515	3.5
85.02898	52.6
87.04443	2.8
91.05465	3.1
93.03352	4.0
95.04957	10.4
97.02882	26.7
97.03954	2.5
98.97581	9.1
99.02667	5.2
99.04445	5.4
103.03917	5.6
109.02866	9.0
116.98616	7.1
119.01912	8.1
119.04923	3.4
120.16830	2.6
122.44257	2.7
123.04430	6.1
124.03928	3.5
124.07563	3.1
125.00590	11.9
125.02342	3.1
126.05527	3.5
127.02130	96.9
127.03056	5.5
127.03871	20.3
128.98584	3.5
131.01906	3.9
134.06007	10.5
134.99704	3.8
137.05969	5.3
138.05493	45.6
143.01852	4.1
143.03450	3.4
145.03525	7.0
145.04939	7.6
146.99611	3.1
147.04408	7.6
148.04921	2.6
148.07567	3.1
150.05470	4.2
151.03906	2.7
152.07063	7.3
153.00050	6.9
153.01804	50.0
153.02934	3.7
154.02147	3.3
155.01707	4.6
157.03455	3.5
158.06075	2.5
161.02928	5.4
167.07086	5.0
168.04808	7.7
169.03372	5.0
170.02678	57.0
171.01263	6.2
173.03008	5.1
173.06757	3.0
176.07045	2.8
177.05614	4.8
179.07060	4.4
180.06525	58.2
184.04276	10.0
185.02921	3.8
185.06749	2.6
187.04517	4.1
196.04263	6.1
201.06067	3.9
203.03963	3.8
204.06599	10.4
210.05905	4.5
212.03725	100.0
219.01877	4.8
221.05089	6.2
233.04959	3.2
236.03809	10.6
237.02782	8.5
242.04875	11.2
246.07628	8.1
247.06837	3.6
255.08020	6.9
259.07425	40.5
260.06290	10.1
260.10361	3.8
266.04813	3.7
273.08459	2.8
278.04813	5.5
282.09790	4.3
284.05753	13.5
301.08478	38.8
301.11588	3.1
319.12579	4.1
325.08545	5.0
332.08481	3.1
337.08551	3.4
341.08499	3.3
358.07135	3.0
367.09692	4.6
375.12177	7.9
421.12756	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05500	3.3
57.03413	1.2
57.07057	1.5
67.05486	4.6
69.03416	1.7
69.07055	2.9
69.40366	0.8
71.13797	2.0
72.80834	1.1
79.05470	4.5
81.03370	1.0
81.07049	16.1
83.08598	1.7
85.02895	9.0
91.05470	2.7
93.07040	13.1
95.04931	2.3
95.08595	13.7
97.02886	2.2
97.10150	4.9
105.07012	2.1
107.08596	11.7
109.10147	17.6
119.08530	2.1
121.06417	1.1
121.10137	5.1
123.11693	68.6
124.12018	0.9
127.03918	2.3
133.10159	1.6
135.11671	32.1
135.12700	1.9
136.12016	0.9
145.04938	8.8
145.10109	2.0
149.13242	52.1
150.13574	1.6
154.62790	0.9
159.11693	1.2
163.05986	8.1
163.14867	1.1
167.03348	0.9
167.05722	0.9
167.07040	3.4
177.16460	1.0
180.08633	5.1
182.59535	0.9
198.09703	12.4
205.19490	100.0
206.19815	3.3
222.22011	1.3
223.20526	1.9
239.39900	1.0
329.20935	1.9
421.25699	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.5
57.03426	8.2
58.99860	4.9
59.49856	3.7
60.39483	4.7
61.02930	9.3
69.03423	29.4
73.02905	10.9
75.18848	4.3
77.00914	5.2
81.03400	7.5
85.02890	51.0
87.04431	3.6
97.02878	23.8
98.20705	7.7
99.04429	7.1
101.00844	20.2
103.02406	5.3
109.02885	4.4
113.03407	4.9
115.02436	7.0
117.03974	16.4
119.01906	88.1
121.03538	5.6
121.89407	4.1
127.02435	7.7
127.03908	15.7
131.01846	20.4
133.03458	25.6
135.05042	21.4
137.02945	19.9
137.05925	4.7
143.01907	14.2
144.99812	12.3
145.02278	6.6
145.03429	100.0
145.04921	12.3
147.01439	5.5
147.04994	13.4
149.02956	7.7
153.01712	4.4
155.01938	6.3
157.03433	9.5
159.01482	4.4
159.04996	28.2
161.02942	28.1
162.03136	6.3
163.00916	4.9
163.04507	33.2
169.03406	37.4
171.01364	15.2
171.05022	6.0
172.99373	4.6
173.02928	13.3
175.04478	11.9
177.02434	9.3
178.05658	6.9
183.05016	5.0
185.02997	20.0
187.00934	13.8
187.04514	75.7
189.02382	43.5
189.06062	4.2
191.00307	11.2
195.01413	16.6
196.99396	4.8
197.02893	6.8
199.00862	9.6
199.04401	9.6
201.02422	7.1
203.03990	11.9
207.03514	12.7
213.02397	45.2
213.06088	6.4
215.00385	12.1
215.03976	6.9
217.01968	20.7
217.05550	14.1
221.05019	8.1
223.04544	5.3
225.02466	5.0
227.04196	9.3
229.01801	8.1
229.05353	4.5
231.03487	28.6
233.01476	7.9
233.16443	4.3
235.06572	6.4
237.08200	5.3
239.00383	9.9
241.01898	9.2
243.03522	8.3
245.05098	21.8
247.03130	6.1
247.06694	8.9
250.07927	42.7
250.57849	5.6
251.02521	14.2
255.03468	6.0
257.01367	7.5
257.05087	10.2
259.02908	7.2
261.04568	6.3
265.04214	6.0
265.07703	9.5
266.99936	7.8
271.03156	7.3
273.04663	8.6
275.02530	25.4
275.05396	4.0
285.01135	6.6
287.02582	4.5
293.03406	5.3
299.02634	5.4
301.00479	14.9
301.03918	5.3
305.03336	7.9
310.07175	4.6
315.05612	11.6
317.03571	5.1
321.66840	4.3
328.99850	4.3
333.03036	10.4
333.06601	10.4
335.04572	5.9
337.09836	12.9
343.01447	6.0
345.03030	9.4
359.04636	7.3
361.02444	64.2
361.06369	4.3
379.07190	15.1
391.03445	5.6
403.03500	11.2
422.08234	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	420.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
55.01871	2.4
55.05499	3.3
57.03416	5.9
59.04977	2.9
61.02906	2.3
63.30526	2.3
69.03429	10.6
69.07063	3.2
70.06572	7.1
71.04982	2.9
71.35873	4.8
73.02896	4.3
79.05471	7.3
81.03400	18.8
81.07035	9.3
83.04964	8.3
84.04496	5.9
85.02888	20.0
85.06514	3.7
88.93027	2.3
91.05467	12.9
93.07028	20.8
95.04926	10.9
95.08597	4.8
97.02888	7.7
97.06490	4.5
98.21422	2.2
99.04430	6.5
102.05504	2.0
103.05443	4.7
105.03378	2.5
105.07018	9.2
106.62770	2.3
107.04935	24.5
107.08582	13.0
109.02857	7.1
109.06512	14.4
109.10143	4.7
111.04420	4.6
111.08044	2.9
117.06986	2.7
119.04916	2.9
119.08571	14.1
120.08092	4.8
121.02859	31.2
121.06486	100.0
121.10099	12.0
121.28777	1.9
123.04399	15.2
123.08075	12.3
125.05997	7.4
126.09052	2.3
127.03895	4.4
129.07013	5.5
131.04904	5.4
131.08527	2.1
133.06474	3.8
133.10159	10.6
135.04474	2.7
135.08049	9.8
135.11668	8.2
136.07564	5.4
137.02242	2.1
137.05939	15.4
137.09602	6.1
137.46519	2.6
139.03899	8.3
139.07527	8.7
140.07030	2.9
141.01772	2.3
141.05493	2.6
145.04906	3.2
145.06490	3.9
145.10115	3.5
147.04382	13.8
147.08028	5.5
149.05978	10.3
149.09589	8.3
150.05286	2.2
151.03844	3.0
151.11163	3.3
153.01842	3.0
153.05435	6.1
153.09105	3.6
157.06464	7.0
159.11681	12.1
161.05968	2.5
161.09601	16.6
163.07506	6.2
163.11159	8.0
165.01828	2.5
165.09081	6.7
167.07019	19.9
167.10690	5.1
172.08754	2.5
175.07520	22.7
175.11151	13.6
177.12711	29.5
179.07066	4.1
179.10660	97.3
179.36104	1.9
180.07629	2.3
181.04965	2.7
181.08585	12.6
183.02904	4.9
183.89140	2.1
187.07477	2.3
187.11160	5.9
193.08580	8.9
193.12212	25.2
195.08107	2.6
195.13876	2.7
205.08443	2.7
205.12239	31.2
209.07907	2.4
211.13283	7.9
213.05441	3.3
223.13268	99.0
241.14322	58.9
243.08757	6.2
244.09525	17.4
259.05975	10.4
271.09784	2.9
273.12616	6.0
280.11722	2.5
283.08063	4.7
287.01865	3.2
288.02133	6.2
297.11148	3.9
325.07718	2.2
329.14050	5.3
346.13953	4.4
347.14758	16.3
352.98871	2.2
378.15210	7.7
379.16101	5.3
385.12646	2.4
420.15500	9.8
421.16473	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	420.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21462	1.7
52.97169	1.8
53.03938	2.7
55.01862	2.4
57.03431	24.3
61.02911	4.6
65.03923	1.6
67.05500	2.4
69.03416	24.5
69.03767	3.0
70.06573	3.2
71.01318	2.1
71.04977	1.9
71.61305	1.6
71.61748	3.5
73.02911	40.2
79.05481	3.4
81.03399	11.4
81.07043	2.6
81.76510	1.7
83.04959	3.2
85.02895	35.0
86.09687	2.4
87.04484	9.1
87.04916	2.0
91.05469	100.0
93.07038	10.4
95.04946	4.1
97.02271	3.9
97.02879	49.6
97.06493	2.2
99.04440	5.5
105.06999	6.6
107.04933	6.6
107.08574	4.5
107.15111	1.8
109.02838	5.0
109.06512	8.6
111.08087	2.2
112.07572	2.1
115.03917	36.3
117.07037	4.2
119.08571	4.9
121.06488	63.2
121.10091	8.6
123.04433	8.5
123.08035	5.2
125.05978	5.1
127.03891	12.2
129.06996	2.1
133.04955	20.6
133.06447	2.4
133.10097	3.7
135.08044	5.0
135.11655	4.2
137.06004	2.0
137.09512	4.4
139.07498	4.5
139.98177	1.8
145.04941	11.7
145.06435	2.4
145.10045	3.4
147.08043	4.4
149.06033	2.8
149.09546	5.2
150.07590	4.0
151.11229	2.5
156.65883	1.9
159.11662	3.4
161.04475	3.8
161.05740	1.9
161.09566	9.1
163.05968	5.3
163.11139	2.1
165.09050	2.8
167.06990	2.3
167.10658	2.7
175.07498	3.5
175.11211	2.3
177.12688	15.1
179.10655	41.5
183.06476	2.6
193.12239	2.7
205.12166	14.7
211.13019	1.9
217.08582	5.7
223.05991	3.8
223.09711	4.0
223.13272	57.4
235.09615	4.3
241.06940	3.8
241.14352	20.4
242.07236	1.8
253.10709	5.6
259.08133	2.9
295.10095	4.0
388.00781	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
53.77830	0.7
55.01868	5.2
57.03429	9.7
59.04995	1.1
61.02925	3.9
65.03920	1.3
69.03422	15.3
69.38540	5.4
71.01336	2.0
73.02907	12.1
81.03390	2.2
85.02892	30.2
87.04446	3.6
91.05466	100.0
92.05817	1.5
93.72959	0.8
94.46698	0.6
97.02877	29.5
103.03922	1.7
105.07048	2.4
105.55338	0.6
109.02877	1.9
115.03918	12.1
117.06982	1.5
125.28625	0.6
127.03886	8.2
129.06987	1.9
131.08580	1.1
132.06570	1.6
133.04947	11.6
133.06520	3.1
143.03355	0.8
143.08632	1.0
145.04965	9.1
145.06496	1.8
150.07614	2.6
153.01807	2.9
154.02205	2.2
155.91112	0.7
157.06464	2.1
161.04459	2.4
163.06020	4.0
171.08005	0.8
217.08641	2.8
223.05823	1.0
235.09653	2.2
241.07181	0.9
253.10728	3.5
259.08136	1.8
277.09152	0.7
289.66119	0.7
310.37354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36087	1.3
55.01862	2.3
57.03424	24.0
59.04993	5.8
61.02915	2.7
61.77723	1.3
69.03419	66.8
69.61333	5.1
69.61766	6.2
69.77292	1.5
71.04958	1.9
73.02909	8.4
75.04486	2.2
79.05479	3.8
81.03401	8.5
83.04958	2.8
85.02890	55.5
85.04501	1.5
87.04454	47.4
91.05467	100.0
93.07022	5.5
95.04966	1.7
97.02875	69.2
98.06139	1.7
98.20705	1.9
99.04471	2.6
103.03932	2.1
105.07011	4.7
107.04929	9.5
107.08565	3.1
109.02851	2.1
109.06494	4.2
111.08064	2.0
115.03908	80.7
116.04305	2.0
117.07065	1.7
119.08532	2.6
121.06483	43.8
121.10156	5.1
123.04404	6.4
123.07999	2.1
127.03886	6.9
133.04941	85.3
133.06532	4.5
133.10144	3.3
135.08029	2.4
137.09576	3.2
145.04953	12.8
145.06427	3.5
145.10077	2.2
147.08133	2.4
149.09547	3.6
150.07571	16.4
153.09142	2.0
157.06621	2.0
159.11668	2.5
161.04469	3.5
161.09583	8.6
163.05980	4.7
163.11140	2.0
165.09061	2.8
169.04974	2.5
175.07484	2.9
176.16312	1.5
177.12750	6.8
179.10645	32.2
193.12270	3.3
205.06955	2.3
205.08719	2.2
205.12244	9.5
217.08618	4.9
223.05968	1.9
223.09715	8.6
223.13260	31.9
238.42920	1.6
241.07127	2.6
241.14334	13.3
253.10634	3.9
259.08105	4.8
295.10309	4.7
305.44553	1.6
389.41486	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01860	5.4
57.03428	11.7
59.04980	0.9
61.02919	12.5
65.03905	1.6
69.03073	1.8
69.03421	24.0
69.07027	1.0
70.90439	3.0
71.01337	2.1
71.04988	2.0
73.02909	73.6
76.71742	0.8
81.03420	4.2
85.02893	61.9
87.04461	4.9
91.03933	2.8
91.05470	100.0
92.05784	2.6
97.02879	64.5
99.04431	3.1
103.03920	3.2
103.05426	0.9
105.03381	3.0
105.07026	5.4
106.03697	1.5
109.02852	6.4
109.06516	1.5
113.02371	1.2
115.03914	32.5
117.07017	2.2
121.06469	2.0
123.04388	1.7
127.03899	26.1
129.06987	3.4
131.04887	2.7
131.08554	1.2
132.06607	1.1
133.04951	37.3
133.06456	7.4
135.04297	1.0
137.05954	7.6
143.03418	1.7
144.06583	0.9
145.04929	37.7
145.06432	7.3
147.07962	1.0
147.89561	0.8
149.06065	1.0
150.07614	5.4
151.03828	1.0
157.05078	1.5
157.06453	3.5
159.08012	1.8
161.04425	4.5
163.05994	20.0
163.07500	5.9
171.08041	1.1
175.07532	2.0
177.09102	1.5
179.10661	1.4
181.04948	1.3
182.08104	2.1
187.07518	4.1
193.04898	1.8
193.12190	2.0
199.06020	1.8
205.08585	11.0
205.12212	1.5
217.06844	1.6
217.08606	5.9
223.05951	6.6
223.09607	4.8
223.13214	2.3
235.09583	2.9
241.07028	6.4
241.10680	1.3
241.14368	1.4
249.01003	0.9
251.84982	1.1
253.10736	6.2
259.08121	13.6
268.08929	1.6
274.08426	0.8
277.09125	3.9
288.14536	1.5
295.10181	7.1
296.10596	1.4
420.18372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01850	0.4
55.05507	0.3
57.03424	2.3
57.14299	0.2
63.59557	0.3
65.03915	0.4
69.03411	1.3
69.07063	0.5
69.50222	1.9
69.50649	0.8
70.06574	0.7
71.01325	0.3
71.04987	0.4
73.02905	0.8
73.53461	0.2
75.04478	1.6
76.04010	0.3
79.05480	0.8
81.03397	1.1
81.07051	0.7
83.04956	0.6
85.02894	4.4
91.05461	0.5
95.01308	2.4
95.04949	0.7
95.08599	0.6
97.02877	1.3
98.21554	0.6
99.00819	0.4
99.04434	0.7
101.02348	1.5
101.06007	0.5
103.03943	0.5
105.07005	0.6
107.04939	100.0
107.08580	1.3
108.05247	1.5
108.08087	0.3
109.02859	1.2
109.06485	0.4
110.06025	1.1
111.04430	0.4
111.08081	0.3
112.03944	0.3
112.07554	0.6
113.02354	0.6
113.06009	0.7
114.05465	0.3
119.03342	0.3
119.08575	0.4
121.01327	0.2
121.02845	3.8
121.06498	0.4
122.03179	1.9
123.04379	0.7
123.08036	0.5
123.11701	1.8
124.03928	0.7
124.07574	2.2
125.02345	0.3
126.09125	2.6
127.03911	1.7
131.03365	0.6
131.04924	0.5
131.08522	0.5
135.07974	0.3
136.07626	0.3
137.05943	0.8
137.63733	0.3
138.09132	0.3
139.03847	1.1
139.86092	0.3
140.03323	0.5
140.04356	0.3
140.07027	0.4
141.01805	4.7
141.72687	0.3
145.10043	0.4
146.57300	0.3
146.84258	0.3
147.07996	0.4
149.05975	0.6
149.09581	0.6
152.06238	0.3
152.07074	2.4
153.01794	2.0
153.05434	5.5
154.02127	0.5
154.08531	0.3
158.08037	0.4
159.02866	0.5
159.11702	0.4
163.07518	0.6
163.11160	0.4
165.08969	0.4
167.06995	0.4
168.06544	0.5
170.08064	0.5
175.11208	0.4
177.09059	0.3
182.08008	0.6
195.06357	0.3
205.08646	0.4
205.12190	1.1
209.08064	43.0
210.08325	0.9
212.09085	0.6
213.11238	0.4
223.09676	0.4
223.13295	3.6
227.09097	24.0
240.12268	1.0
241.14357	0.8
258.13300	5.1
278.10037	0.4
284.08194	0.5
296.11200	0.9
314.12085	0.4
349.09058	0.4
367.10339	0.7
385.11243	2.8
420.18530	0.6
421.15948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01865	13.2
55.05502	37.6
55.67633	2.3
57.07059	8.9
65.03898	2.5
67.05494	51.0
69.03419	7.2
69.07055	30.9
71.04988	16.0
72.53951	2.0
73.13723	2.5
74.97289	2.3
79.05473	27.7
81.03375	2.1
81.07042	75.7
83.04974	7.4
83.08603	14.9
85.06535	34.5
91.05454	20.1
93.07030	48.9
95.04995	4.7
95.08592	100.0
97.06526	15.6
97.10140	8.8
99.08059	5.4
101.06003	9.0
105.06367	4.4
105.07012	49.7
106.57122	2.4
107.08572	78.5
109.06496	10.5
109.10142	94.1
111.08064	52.2
111.11701	4.2
112.11172	3.4
117.07001	5.2
119.08561	81.1
120.08956	2.9
121.10133	55.2
122.10478	3.4
123.08089	6.8
123.11689	30.2
125.09595	4.4
127.62968	2.2
129.06920	4.0
131.08575	14.2
133.10109	53.5
135.08121	4.0
135.11664	32.9
137.09589	7.3
137.13237	12.3
138.57919	2.1
139.11116	4.4
143.08557	6.9
145.10115	23.0
147.11649	39.9
149.02405	2.8
149.09659	3.7
149.13217	24.3
153.12685	5.0
156.09300	3.3
157.10094	9.7
157.12167	4.8
159.11658	32.3
161.13235	34.4
162.13557	2.8
163.11172	2.8
163.14821	15.1
165.12755	5.7
167.07150	2.8
167.14291	3.2
169.10112	3.8
171.11668	8.5
173.13254	23.5
175.14828	22.7
177.12697	3.7
177.16348	3.7
179.14250	14.0
183.11702	4.9
185.13245	9.6
187.14803	10.9
187.78293	2.3
189.16350	17.8
191.14278	3.0
191.17915	8.7
193.15833	4.0
197.13255	3.4
199.14787	4.8
201.16373	9.9
203.17946	32.3
207.17505	2.9
213.16353	6.8
215.17921	10.1
217.19481	25.7
219.17432	4.7
221.13109	3.0
221.18988	2.9
227.17891	3.4
229.19594	5.9
229.70262	2.9
231.17410	3.9
233.19133	3.1
241.19560	3.5
243.17441	3.0
251.17964	3.4
269.22839	2.6
273.22110	3.5
275.23358	3.2
283.24188	2.9
285.25732	9.5
301.25211	5.1
319.26050	3.1
327.26727	3.8
383.29309	3.0
383.33160	24.7
401.34607	25.1
402.34732	2.7
419.33655	17.1
419.39700	4.7
420.34460	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	419.3513
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
51.33578	0.7
53.03943	1.2
55.05500	5.4
57.03421	1.0
57.07058	1.7
59.04991	0.7
65.03940	0.7
67.05492	8.3
69.03402	0.7
69.07058	8.8
71.04989	3.9
71.08620	2.6
79.05476	10.0
80.53188	0.6
81.07041	61.1
82.07390	0.7
83.04920	0.8
83.08619	3.5
83.40102	0.5
85.06531	27.8
87.08096	0.7
91.05471	5.4
93.07024	17.5
95.04943	1.8
95.08591	38.3
96.51939	0.7
97.06499	1.9
97.10174	1.9
99.08077	2.5
105.07011	14.5
105.07668	1.1
105.86696	0.7
107.08575	29.2
109.06497	49.6
109.10136	21.5
110.06852	1.5
111.08052	5.0
111.11766	0.7
113.09665	0.9
117.06995	1.3
119.08559	26.6
121.10121	21.2
123.08044	14.3
123.11671	6.5
125.09627	1.8
131.08554	2.6
133.10114	17.9
133.11067	1.3
135.08022	0.8
135.11667	14.5
137.09593	3.3
137.13232	3.0
143.08524	1.3
145.10127	5.5
147.11668	13.0
148.12057	0.9
149.02388	0.7
149.13242	8.9
151.11194	1.7
151.14783	3.9
157.10132	2.2
159.08044	0.8
159.11655	7.2
161.13226	26.4
163.14793	12.7
165.12720	1.8
167.14355	1.1
169.10112	0.7
171.11664	1.2
173.13197	5.3
175.14777	8.2
177.16356	5.0
179.14278	60.7
180.14656	1.4
181.15901	0.8
183.11708	1.0
185.13261	1.6
187.14767	5.5
189.16350	32.7
191.14282	0.8
191.17970	3.6
193.15866	2.4
195.11610	0.6
195.17450	2.9
197.13509	0.8
197.15320	20.6
197.17091	1.1
199.14738	1.3
201.16391	2.6
203.17928	6.7
205.19473	2.5
207.17410	16.0
213.16394	1.7
215.17912	4.1
217.19493	4.0
221.18996	1.3
225.16374	0.9
227.17917	0.9
229.19362	1.1
233.18872	1.1
235.14999	0.9
235.20529	4.0
237.18613	0.8
241.19514	1.4
243.20938	0.9
247.20692	0.9
285.26123	0.7
331.26407	1.3
357.35571	1.5
365.32028	1.4
383.33035	14.3
384.33600	0.8
390.35733	0.7
401.34164	38.2
402.34500	2.3
419.35150	100.0
420.35587	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	419.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12516	0.4
54.02216	0.5
55.01852	1.4
57.07050	0.5
57.43729	0.5
69.07072	0.7
69.93480	3.1
71.08611	0.9
81.07030	0.8
93.07033	0.6
98.21421	0.7
99.00815	0.9
99.04445	3.6
111.04443	3.2
123.53750	0.5
125.05980	11.0
141.05473	4.7
149.02324	0.8
153.05447	100.0
154.05792	1.2
167.06999	1.0
178.22679	0.6
224.24957	0.5
279.92142	0.6
419.35147	34.6
420.35648	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3512
Annotation	4beta,7alpha-dihydroxycholesterol
Peak:m/z	Relative Intensity
55.05516	4.5
57.07055	3.1
62.82799	1.0
65.05322	0.9
67.05482	3.1
69.03389	1.0
69.07068	6.1
70.81207	3.1
71.08633	1.8
79.05490	5.3
81.07045	12.3
82.07392	1.0
83.01315	1.4
83.04953	0.9
83.08607	3.4
85.10158	1.2
91.05458	3.5
93.07030	2.6
95.08601	4.9
97.10157	2.2
102.64596	0.9
105.07029	3.0
107.04940	1.1
107.08582	2.9
108.05718	1.1
109.06499	9.6
109.10139	2.1
111.11672	2.2
117.05357	0.9
119.08582	3.5
121.06464	6.1
121.10122	2.1
122.06802	1.1
123.04446	1.3
123.08043	0.9
123.11744	1.2
129.07010	1.7
131.08525	2.0
133.10123	1.0
135.08028	2.8
136.05191	2.6
137.05957	100.0
138.06412	4.9
139.07097	1.0
141.07048	0.9
145.10170	2.1
147.11720	1.4
149.09579	5.3
149.52548	1.2
150.06746	1.0
151.07524	4.1
153.05527	1.3
154.05809	1.3
159.11728	1.4
160.08435	1.0
162.06714	2.0
163.07518	20.6
164.07881	1.8
165.09032	1.7
169.10081	1.8
171.11758	1.2
177.09081	77.5
178.09424	6.6
191.10640	30.1
192.10983	1.3
205.12199	2.9
221.15448	1.1
263.20026	1.1
327.23352	2.3
401.33786	12.9
419.22604	1.6
419.29230	4.1
419.34775	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	419.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.1
57.07063	3.7
67.05502	12.8
69.03403	3.8
69.07062	8.7
69.52940	1.3
69.53249	12.4
71.04971	1.8
79.05489	7.3
81.03426	1.7
81.07040	25.3
83.04944	2.3
83.08599	4.5
85.06532	3.6
91.05474	9.8
93.07042	18.7
95.04950	1.9
95.08595	37.0
97.06557	2.2
97.10185	1.8
98.57225	1.5
99.04471	1.7
99.69451	1.5
105.07011	23.3
107.08580	38.7
109.06508	6.0
109.10138	20.4
111.08084	4.7
111.11689	1.5
117.07011	3.8
119.08566	33.8
121.10128	32.4
123.08043	4.2
123.11692	12.8
125.09672	1.4
131.08562	7.8
133.09103	2.8
133.10109	51.2
134.10489	2.4
135.08090	2.1
135.11681	22.4
137.09604	2.0
137.13162	2.0
139.07513	2.2
139.11081	1.6
143.08559	3.3
144.09253	1.7
145.10101	22.9
147.11670	33.3
149.02393	1.7
149.09636	2.8
149.13260	9.8
151.07462	1.5
151.11157	17.9
155.08502	1.9
157.10106	4.6
159.11664	26.2
161.09608	3.6
161.13220	14.8
163.11208	1.8
163.14815	9.1
165.12720	3.9
167.10663	2.6
169.10065	2.9
169.22426	1.5
171.11678	6.3
173.13261	10.9
175.11253	2.6
175.14842	11.7
177.12775	2.9
177.16431	6.2
179.10614	11.3
179.14325	1.8
180.75420	1.4
181.12206	3.3
183.11722	1.8
185.13242	4.0
187.14803	16.6
189.16359	100.0
190.16699	4.1
191.17964	4.7
193.12189	9.9
195.13838	2.6
197.13327	2.0
199.14888	3.9
201.16371	15.3
203.17981	6.4
207.13849	3.0
207.17398	26.1
208.17743	1.5
209.15436	2.1
213.16400	5.1
215.17938	13.2
217.19527	2.4
221.15337	3.1
225.16272	1.4
227.17950	2.2
229.19427	2.9
233.18953	3.5
235.16893	4.4
241.08835	1.6
247.16888	1.9
251.03941	1.2
251.20172	3.5
253.19551	1.6
261.18567	1.8
287.19882	1.7
323.23779	1.8
323.27335	2.9
365.28342	5.2
383.29410	63.9
384.29886	4.3
401.16235	1.6
401.30481	65.5
402.30838	4.2
419.24072	2.8
419.31677	20.8
420.31342	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3149
Annotation	(5Z,7E)-(1S,3R,24R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol
Peak:m/z	Relative Intensity
53.03946	1.0
55.05502	5.0
57.07064	1.5
65.03931	0.8
67.05495	7.7
69.03403	2.3
69.07049	8.8
70.80114	2.1
70.80460	0.9
71.04974	1.2
76.78814	0.7
79.05483	6.1
81.03398	1.0
81.07046	16.8
83.04934	1.1
83.08613	2.8
83.86933	0.8
85.06504	2.0
85.23869	0.7
88.49319	0.8
91.05466	9.2
93.07028	14.0
95.04921	1.1
95.08592	26.7
97.06515	1.4
97.10175	1.2
105.07018	21.6
107.08578	32.8
108.60546	0.8
109.06506	7.7
109.10136	16.2
111.08063	1.7
117.07002	3.0
119.08562	37.9
121.10121	22.4
123.08035	2.6
123.11695	8.5
125.19593	0.8
127.11157	0.9
131.08580	5.1
133.10112	60.0
134.10437	2.0
135.08025	2.7
135.11671	17.9
137.09555	1.8
137.13283	1.0
141.06929	1.5
143.08582	1.8
145.10097	12.7
147.11665	23.8
148.12042	1.3
149.09612	2.6
149.13226	8.8
151.11151	29.5
157.10071	2.5
158.10980	0.9
159.11659	16.6
159.12845	1.5
160.12344	1.2
161.09532	5.4
161.13226	10.3
163.11159	2.4
163.14796	6.4
165.12704	7.1
167.10706	2.5
169.10156	1.6
171.11717	3.2
173.13222	5.9
174.13789	1.0
175.11128	1.8
175.14806	7.5
176.15176	1.1
177.12709	4.7
177.16322	1.6
179.10641	23.3
179.14305	1.3
181.12233	2.0
183.11691	1.5
185.13278	2.4
187.14796	10.2
189.16353	100.0
190.16725	5.1
191.14348	1.3
191.17957	2.6
193.12202	5.0
195.13806	1.9
197.05989	1.6
197.11665	1.6
197.13271	1.6
199.14815	3.0
201.16377	7.7
203.14328	0.9
203.17873	4.5
205.19440	2.3
207.17407	38.0
208.17770	1.3
209.13263	1.1
209.15294	2.1
213.16350	3.0
215.17955	17.3
217.15799	1.0
217.19452	1.5
221.15311	2.0
233.18935	7.6
235.16936	4.7
247.16841	1.3
251.20024	8.1
253.19467	1.4
281.18982	0.8
286.36798	1.0
347.27228	1.0
365.28357	5.0
383.29358	27.9
384.29715	1.5
393.56265	0.9
401.30463	91.2
402.30856	6.9
419.31808	17.5
420.32037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3151
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
51.42278	1.8
54.35199	1.8
55.01856	4.0
55.05507	9.7
55.66380	2.0
57.07060	2.3
61.78229	1.8
62.63894	1.9
65.03925	3.1
67.05495	14.8
69.03415	6.1
69.07061	14.2
70.78099	5.1
71.04989	3.3
71.08611	2.2
79.05479	13.1
81.07050	32.0
83.04971	4.0
83.08607	4.5
84.22346	2.2
85.06522	5.2
90.76321	1.7
91.05467	14.6
93.07033	28.6
94.07406	2.2
95.04951	6.5
95.08594	43.5
97.06525	4.2
97.10162	2.8
99.08088	3.0
101.06009	2.1
105.07021	29.8
105.89345	1.9
107.04971	2.2
107.08583	53.7
107.09291	3.9
109.06529	4.4
109.10143	28.1
111.08069	13.1
112.24920	2.0
117.06989	5.3
119.07784	3.6
119.08574	55.4
120.77694	2.0
121.06490	5.9
121.10130	100.0
122.10455	4.7
123.08054	4.5
123.11703	11.8
125.09604	2.6
127.03886	2.4
129.06970	3.9
131.08511	12.2
133.06506	3.2
133.10123	42.6
135.08049	5.3
135.11665	34.3
137.05913	2.9
137.09592	2.5
137.13211	2.6
139.07599	2.0
139.11182	2.3
142.07820	2.1
143.08575	6.2
145.10104	30.9
147.11676	25.4
149.09593	6.6
149.13255	16.4
151.11205	3.4
153.09068	2.1
156.09280	2.2
157.10124	8.6
159.11679	42.8
160.12119	2.6
161.09636	5.0
161.13235	34.8
163.11182	14.5
163.14830	10.0
163.28467	2.0
165.12761	5.1
167.07030	6.4
167.10698	3.3
169.08649	2.2
169.10043	3.4
171.11652	8.1
173.09607	2.3
173.13258	15.7
175.11215	1.9
175.14775	12.7
177.12761	10.5
177.16386	7.1
179.10709	2.6
179.14322	5.3
181.04889	2.0
181.12247	10.3
183.11688	3.6
185.13254	7.4
187.14790	20.8
189.12769	2.7
189.16379	39.3
191.14369	2.3
193.12288	8.6
195.13826	7.6
197.13242	2.3
199.14761	5.3
201.16359	71.5
202.16731	2.9
203.14304	4.1
203.17938	15.9
204.18152	2.6
205.12392	2.7
205.15817	6.9
207.17418	6.4
209.08011	3.1
211.14882	2.9
213.16362	4.1
215.17874	14.4
217.15933	2.6
217.19521	2.8
219.17400	10.4
221.15373	3.9
223.14748	3.4
223.16768	2.2
225.16359	2.3
227.17798	2.5
233.18979	3.2
235.16896	2.4
251.17737	2.4
261.18454	2.4
275.20093	2.5
301.24911	2.3
315.08920	2.3
315.29431	2.1
330.11179	4.7
347.27298	3.3
365.28433	16.7
383.29401	96.8
384.29700	7.1
401.30606	34.2
402.30753	3.3
419.23535	3.1
419.28751	10.8
419.31885	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	419.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11917	1.6
54.13781	1.5
55.01865	1.8
55.05502	8.5
57.03431	3.0
57.07071	2.6
67.05494	12.2
68.43335	1.8
69.03416	3.8
69.07053	15.7
70.88468	2.5
70.88822	3.8
71.05000	1.9
79.05469	8.3
79.45850	1.5
81.03403	2.9
81.07049	28.2
83.04952	2.1
83.08608	7.5
85.06542	4.9
91.05461	12.3
93.07033	24.9
95.04935	4.1
95.08596	44.6
97.06527	1.9
97.10164	2.8
104.97186	1.7
105.07012	25.0
107.04954	4.3
107.08575	46.6
109.06502	7.7
109.10140	25.0
111.08053	3.3
111.11661	1.8
117.06982	3.9
119.08566	45.6
121.10127	37.0
123.08079	4.5
123.11704	15.0
131.08540	10.3
133.10107	66.7
135.08029	4.2
135.11679	28.8
137.05965	2.4
137.09586	2.8
137.13220	3.3
139.07535	2.0
139.11176	1.8
143.08580	7.1
145.10101	24.6
147.11673	34.6
149.02325	1.6
149.05911	1.8
149.09657	1.9
149.13258	15.6
151.11142	20.5
151.14867	2.3
157.10103	4.3
158.10944	1.7
159.11685	27.7
160.12341	1.5
161.09605	3.7
161.13263	18.6
163.11111	3.7
163.14790	11.8
165.12729	6.1
167.10670	3.6
169.10146	3.3
171.11713	3.4
172.36617	1.9
172.56796	1.9
173.13213	11.8
175.11221	4.0
175.14799	15.4
177.09148	1.7
177.12756	5.0
177.16367	6.5
179.10631	18.8
179.14282	2.9
181.12212	3.4
183.11636	4.0
185.13225	4.8
187.14812	18.9
189.16350	100.0
190.16707	4.2
191.07101	1.9
191.14299	3.4
191.17929	5.9
193.12228	9.9
195.11769	2.1
195.13795	5.0
197.13316	2.3
199.14793	5.5
201.16351	16.4
203.17871	7.8
207.13853	3.6
207.17381	25.0
208.17706	1.9
209.13242	2.1
209.15306	2.0
211.14764	2.4
213.16438	4.6
215.17914	14.9
217.15820	1.7
217.19492	3.3
221.15311	3.9
225.16145	2.0
227.17986	2.2
229.19489	3.1
233.15306	2.3
233.19006	5.5
235.16916	5.1
248.08211	1.6
251.20042	4.9
259.17020	1.7
261.18448	3.5
267.21069	2.1
287.20334	1.9
365.28302	7.1
383.29401	62.9
384.29871	3.6
401.30542	73.8
402.30789	4.9
419.31744	23.0
420.31683	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2635
Annotation	Icariside C3
Peak:m/z	Relative Intensity
51.57042	1.5
53.03934	2.5
55.01854	6.1
55.05504	6.2
57.03422	1.4
57.07063	4.2
60.23717	1.8
65.03943	2.3
67.05501	9.5
67.24252	1.4
69.03411	5.1
69.07058	19.0
69.53155	1.4
70.25355	6.8
71.04988	1.7
79.05479	7.7
81.03396	3.3
81.06575	2.0
81.07048	31.8
83.08617	9.0
85.02889	6.4
85.06500	2.4
91.05480	7.5
93.07043	9.3
95.04957	5.3
95.08049	2.4
95.08598	34.9
97.06537	2.8
97.10139	8.3
105.07021	12.7
107.04912	4.2
107.08606	13.3
109.02884	1.8
109.06498	2.0
109.09442	2.8
109.10141	33.0
111.04400	2.5
111.08103	1.7
111.11687	6.3
115.05504	1.9
117.07008	2.3
119.04858	1.7
119.08579	13.0
121.06472	5.2
121.10133	9.5
123.04328	3.4
123.08051	2.1
123.11690	17.5
125.09599	2.2
127.03897	4.5
129.06932	2.2
131.04919	3.4
131.08525	5.3
133.06494	2.8
133.10115	9.5
135.11662	5.9
137.05943	2.3
137.09698	2.1
137.13234	9.0
143.08560	2.4
145.06421	2.9
145.10086	5.6
147.11670	13.1
149.02304	1.8
149.05907	3.1
149.09663	1.7
149.13217	5.5
153.12730	2.0
155.07140	1.5
159.08043	3.9
159.11644	5.8
161.05975	3.4
161.13190	3.6
163.05942	1.9
163.14781	2.4
165.12700	2.2
167.07030	30.3
168.07376	8.3
169.07452	3.4
169.10075	1.5
171.11630	2.4
173.05922	2.1
175.07585	1.9
175.14789	1.5
177.05429	4.8
181.04945	14.7
181.08568	2.5
182.05263	2.9
183.06612	1.6
185.13164	2.0
187.07619	2.5
187.14740	3.1
189.16409	3.5
191.06989	3.5
193.06450	1.3
193.08501	2.1
193.19495	4.2
201.16348	2.5
203.17935	30.7
205.08575	3.1
209.08072	12.6
219.10153	1.7
221.18979	100.0
222.19345	3.9
236.04735	1.6
247.09689	2.8
249.11125	4.2
315.08594	7.7
329.21088	2.2
330.10892	8.2
331.11426	2.5
347.22333	2.0
351.12448	1.9
365.23029	3.5
369.13187	3.1
383.15054	2.5
383.24969	3.8
389.14960	4.0
401.15955	8.4
401.30591	2.9
419.16327	7.6
419.24084	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	419.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60862	0.3
51.98875	0.3
53.03940	0.6
55.01855	0.6
55.05507	0.5
57.03421	0.7
59.04992	2.5
61.02918	3.7
64.72485	0.3
69.03423	2.8
71.04636	0.4
71.04986	2.7
71.08614	0.5
71.53508	0.7
72.08135	0.6
73.02906	0.6
78.03440	0.3
79.05485	1.1
80.13908	0.3
81.03420	1.5
81.04527	46.8
81.07040	7.2
81.12647	0.3
82.04874	0.4
83.06099	1.1
85.02899	3.5
87.04431	0.3
87.08104	0.8
91.05515	0.3
95.06091	0.5
96.04478	0.3
97.02895	1.7
99.05573	1.0
99.08062	0.6
106.02891	1.2
107.04929	1.0
107.06048	0.4
109.02856	1.1
111.05553	0.5
113.09636	0.5
115.03940	0.3
121.02832	1.7
124.03943	3.4
127.05019	47.0
128.05386	0.5
131.43042	0.3
135.09164	0.3
137.10699	3.5
139.03905	0.5
153.01813	1.0
153.10185	1.0
161.05988	0.4
161.10710	0.5
163.12277	5.6
165.65962	0.3
179.11772	6.0
181.04956	0.3
184.13266	0.3
193.13452	0.4
206.04054	0.4
207.11287	3.9
209.08067	0.4
211.04427	0.3
211.14398	7.0
225.12299	14.7
234.32083	0.3
239.13806	1.7
250.07205	0.5
257.14920	100.0
258.15283	3.3
268.08096	1.2
283.08182	0.3
419.15347	0.8
419.20184	15.8
420.20468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01859	4.3
65.03943	2.2
67.05497	5.5
69.03408	2.2
69.07042	2.8
69.40743	3.8
69.41145	14.2
70.32949	1.9
79.05498	11.6
79.86076	2.1
81.03401	2.2
81.07038	3.8
85.02906	3.1
85.06509	2.1
91.05460	9.6
93.07030	2.5
95.04951	7.6
95.08594	3.5
103.05415	2.9
105.02068	1.9
105.03392	4.1
105.07015	6.0
106.04127	2.4
107.04940	20.4
107.08591	2.7
109.06470	2.2
110.64256	2.0
111.04426	2.9
115.05445	4.0
117.07015	4.0
119.04932	2.3
119.08617	2.0
121.06487	1.9
121.10114	2.1
122.03620	2.6
122.32439	1.8
123.04400	17.1
124.05216	3.3
125.05975	4.3
128.06215	6.4
129.06975	12.6
131.04912	3.6
131.08540	15.3
133.06482	4.9
137.05986	5.8
139.03876	2.5
140.04668	3.1
141.07011	6.1
143.08502	3.0
144.05672	8.3
145.06480	8.6
147.04257	2.1
151.03845	3.9
152.04645	2.4
153.01767	5.3
153.05391	3.4
153.07002	3.0
156.05618	2.3
157.06433	6.7
159.08028	25.7
160.05142	4.0
161.05949	5.6
161.09633	4.0
165.05428	2.0
167.07014	74.2
168.07364	2.5
170.07257	7.0
171.06612	2.0
171.08055	5.1
173.05975	7.5
175.07512	2.4
177.05429	5.1
179.06970	2.5
181.04909	8.8
181.06413	3.5
183.06494	28.5
187.07452	17.0
189.05363	2.1
189.07008	2.6
189.09091	6.2
190.07724	2.3
191.06984	2.8
193.08644	3.4
198.06744	3.2
199.07474	3.3
203.07033	7.0
204.07762	5.1
205.06657	2.6
205.08551	6.5
209.08086	4.6
216.07848	4.2
217.08517	12.7
218.07315	3.1
218.09331	3.4
219.07974	11.2
219.10159	25.5
220.08784	2.4
221.06084	2.3
221.08057	6.7
221.11786	2.9
223.07481	2.3
231.07993	4.4
231.10178	10.2
232.08704	2.3
234.06685	3.5
235.07509	6.4
237.08978	2.3
246.06606	2.4
247.07500	9.7
247.09642	3.9
248.08273	6.6
249.09018	5.7
249.11189	94.2
250.11555	3.0
251.10696	1.9
262.06302	2.7
263.07056	4.6
263.10617	7.0
264.07718	7.8
266.05679	2.2
269.08057	1.8
275.06976	6.7
276.07794	3.0
277.08542	6.1
278.09164	2.5
279.10153	8.9
281.11847	2.9
287.05603	5.9
290.09460	3.0
291.06470	2.5
291.10065	4.0
292.07364	3.3
293.08041	4.5
295.09622	3.9
299.09149	3.4
305.08051	1.9
307.09680	11.4
308.10089	3.6
309.07474	3.2
309.11038	4.3
311.12726	5.5
315.08551	2.7
323.12698	4.0
330.10745	9.0
337.10611	7.0
338.11490	3.0
339.12170	4.2
351.12183	4.7
355.11859	6.1
359.14661	2.9
369.13278	46.0
370.13638	3.0
371.14890	4.2
373.16678	1.9
383.14966	2.7
389.15860	18.7
401.15903	100.0
402.16254	5.6
418.85663	1.8
419.16373	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	419.1693
Annotation	CHEBI:67622
Peak:m/z	Relative Intensity
53.03923	3.4
55.01849	5.0
55.07495	1.6
57.03424	4.3
59.94772	1.6
65.03916	2.1
67.05469	4.2
67.28275	1.5
69.03418	3.6
69.95551	8.0
69.95954	4.0
73.02916	10.9
79.05473	12.6
81.07056	4.6
85.02885	3.4
91.05484	8.8
91.05951	1.5
93.07032	3.3
95.04964	10.9
95.08584	3.4
97.02868	2.3
103.05456	3.3
105.07000	6.6
107.04940	25.8
109.06536	2.9
109.10136	2.2
111.04430	2.8
115.05444	5.7
117.07013	4.6
119.08607	3.6
121.02826	2.0
123.04412	16.3
124.05203	3.7
125.06003	2.5
128.06201	6.8
129.06981	9.3
131.04875	8.8
131.08546	13.4
133.06467	3.3
133.10066	2.7
135.11710	1.8
137.05954	5.1
139.03902	3.0
140.04684	3.8
141.06956	8.5
143.04855	1.6
143.08560	2.7
144.05684	6.9
145.06422	8.0
146.07231	2.1
147.04366	4.7
148.48401	1.7
149.05931	2.8
151.03880	2.7
151.07561	2.6
153.01819	2.6
153.05357	2.6
156.05652	3.1
157.06445	5.6
159.08017	19.4
160.05176	2.4
161.05934	6.0
161.09599	5.0
163.07526	4.7
165.05450	2.7
167.07011	69.1
169.06337	2.0
169.07658	3.4
170.07249	6.5
171.06638	2.8
171.08022	3.8
172.05254	1.8
173.05951	4.8
175.07487	5.1
177.05402	5.7
179.07037	3.1
181.04988	8.3
181.12288	2.2
183.06488	32.5
185.06104	2.2
187.07486	18.5
189.09090	4.2
191.07010	4.8
193.08577	4.9
199.07524	3.6
202.06154	2.5
202.07898	2.7
203.06905	3.5
203.17847	1.7
204.07756	5.7
205.06419	2.2
205.08530	3.7
207.08022	3.7
209.08014	5.7
216.07771	3.2
217.08624	9.1
218.07217	4.3
218.09322	5.0
219.07983	6.4
219.10127	22.1
221.06017	2.8
221.07910	9.2
231.08041	3.7
231.10132	12.1
234.06662	2.9
235.07443	4.9
236.08159	3.0
246.06648	2.5
247.07478	7.2
247.09760	3.9
248.08261	3.0
249.11197	100.0
250.06219	2.0
250.11479	2.3
251.06946	3.1
251.10623	2.8
261.08978	2.4
263.06982	4.5
263.10559	3.1
264.07761	6.2
265.08325	3.6
265.10870	3.1
269.08127	2.2
275.07178	2.5
276.07736	3.5
277.08563	4.8
279.10110	6.1
287.05453	65.8
288.05838	4.1
291.06812	2.8
291.10104	4.4
293.08188	3.3
295.09601	5.5
307.09518	11.8
308.10309	3.4
309.11282	3.1
311.12717	3.0
315.08484	5.1
319.09393	2.5
323.09100	3.0
323.12646	3.0
330.10791	9.4
336.09744	2.8
337.10712	4.2
339.12070	2.2
341.13751	2.4
351.12265	4.0
355.11584	3.0
369.13257	39.7
371.14990	4.0
383.14752	4.8
389.15912	11.4
401.15878	84.0
402.16183	4.1
419.16885	2.5
439.03485	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
53.14008	1.2
55.01871	3.1
55.05500	1.7
57.03427	2.9
57.07060	2.6
65.03928	3.7
67.05497	6.6
69.03411	3.4
69.07067	2.5
70.58677	2.6
70.59045	2.4
71.04980	4.9
79.05476	6.4
81.03411	3.4
81.07035	6.7
82.04205	1.4
83.04971	2.3
83.08637	1.3
85.02896	5.6
85.06530	16.1
91.05455	4.9
93.07023	5.6
95.04959	15.4
95.08587	3.8
97.02894	2.7
97.06504	2.2
99.04448	1.7
101.06020	1.3
103.05445	2.9
105.03374	1.8
105.07005	5.5
107.04941	15.1
107.08579	4.1
109.02874	2.2
109.06520	2.5
109.10137	3.4
113.05996	3.3
115.05453	3.2
117.06984	3.1
119.08586	3.8
121.06498	3.2
121.10110	3.4
123.04405	12.9
123.08059	3.2
124.05254	1.9
124.07610	1.5
125.05973	4.4
125.09639	1.4
127.03888	3.3
127.07589	1.6
128.06195	6.2
129.07007	5.9
131.04884	3.7
131.07033	2.2
131.08542	8.8
133.02911	1.6
133.06445	3.1
133.10136	2.3
135.08064	1.6
137.05937	8.4
139.03879	1.9
140.04694	4.6
141.05577	1.1
141.06975	5.9
142.07773	3.5
143.08565	4.0
144.05664	7.6
145.04811	1.6
145.06464	4.4
145.10060	1.8
147.04428	1.7
147.11681	2.1
149.05907	1.6
149.09644	1.4
151.03899	5.8
151.07545	2.5
152.04605	1.3
153.01764	1.7
153.05510	2.3
153.07048	2.6
155.07021	5.5
156.05695	5.0
157.06454	4.6
158.07277	2.2
159.08032	16.6
160.05270	1.5
161.05966	4.3
163.07460	2.6
165.05467	2.8
165.12764	1.6
167.07004	29.3
168.04181	2.6
169.06438	2.7
170.07243	18.3
171.06686	1.7
171.07951	6.2
172.05130	2.6
173.05971	4.9
175.07481	2.6
177.05444	3.4
177.09100	7.3
181.04910	4.4
181.06314	1.3
181.12271	1.3
183.06512	24.2
184.05212	2.6
187.06026	1.9
187.07530	16.1
189.05382	2.4
189.09061	2.1
191.05473	1.6
191.07031	3.0
193.08513	3.1
195.06471	1.9
197.08127	2.7
198.06714	4.7
199.07516	4.0
201.05493	2.2
202.06227	2.6
203.06982	12.3
203.08475	1.3
203.10544	1.4
204.07632	1.8
205.08641	4.4
209.07991	2.8
216.07813	8.8
217.08575	20.7
218.09346	15.1
219.08075	3.6
219.10107	44.3
220.02391	1.2
221.09756	1.7
221.11713	2.5
221.15408	1.4
231.08084	2.4
231.10121	31.7
232.10893	2.7
233.12025	1.7
234.06839	2.3
235.07500	1.6
247.07491	4.7
247.09703	2.6
248.08360	2.0
249.09009	2.9
249.11224	10.5
255.30173	1.2
257.13202	1.8
261.09106	2.5
262.06058	1.7
263.06995	2.5
263.10587	2.5
264.07889	2.1
265.08438	1.9
277.08548	6.2
279.10150	2.8
280.11023	1.5
289.12726	2.1
291.06830	1.3
291.10193	1.8
293.08179	1.6
294.08655	1.7
295.10007	1.6
299.10318	2.1
305.08041	2.9
307.09579	6.3
309.07623	2.2
309.11044	3.2
311.12769	2.1
322.08035	1.9
323.08939	2.1
323.12607	2.0
337.10541	9.0
339.12268	2.1
341.14124	2.7
347.22214	2.3
351.12198	2.0
359.12469	3.3
369.13275	30.1
370.13821	1.7
371.15152	1.7
373.13507	2.5
387.11856	1.9
389.15918	7.1
401.15906	100.0
402.16299	4.0
419.14651	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	419.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.8
55.05501	2.7
59.42864	1.3
60.43839	1.3
61.02904	1.4
65.03932	3.6
67.05477	5.5
69.03402	3.2
69.07049	2.8
71.04985	1.6
71.62210	2.4
73.02913	1.7
76.99073	1.3
78.04677	1.7
79.05498	11.5
81.03396	3.2
81.07040	7.5
83.04967	3.8
85.02886	3.3
85.06533	2.3
91.05454	9.1
93.07010	4.6
95.04973	9.8
95.08592	5.7
97.02858	2.3
98.47427	1.2
98.80783	1.3
101.06031	1.7
103.05443	4.5
105.03353	1.6
105.07011	8.0
107.04269	2.4
107.04939	26.8
107.08585	4.5
109.02833	1.6
109.06529	1.8
109.10140	3.2
111.04427	4.5
111.08060	2.0
114.58218	1.2
115.05428	3.8
116.06244	2.1
117.06998	3.2
119.08567	4.7
119.24493	1.3
121.06487	3.3
121.10126	3.8
123.04406	14.9
123.08077	1.7
123.11667	3.0
124.05173	4.0
125.05986	3.2
125.91780	1.3
127.03819	1.6
128.06221	5.6
129.06964	11.1
131.04939	8.2
131.08556	15.7
132.05740	2.0
133.02805	2.0
133.06456	4.7
133.10146	2.7
135.11632	1.7
137.05934	7.4
139.03873	3.0
140.04645	2.1
141.06944	4.4
142.07780	2.8
143.08531	3.6
144.05667	7.9
144.75438	1.4
145.06470	7.1
145.10139	1.4
147.04375	4.8
147.11607	2.7
149.05988	2.0
151.03874	5.5
152.04619	2.9
153.05428	4.8
153.06932	1.4
156.05666	5.8
157.06473	6.8
158.07220	1.9
159.08025	24.8
160.05171	3.9
161.05966	4.1
161.09599	5.0
163.07596	3.3
165.05412	2.2
167.07016	77.9
168.04103	2.2
168.07399	2.7
170.07199	8.5
171.06712	1.5
171.08060	4.9
172.05180	2.3
173.05954	5.2
174.06729	3.2
177.05417	3.8
179.06990	3.7
181.04892	6.6
181.08614	3.7
183.06512	27.4
185.06070	2.0
187.07536	18.6
189.05424	3.7
189.07100	1.5
189.09055	6.2
191.07010	4.0
191.08525	2.2
192.07697	1.6
193.08562	4.4
198.06813	2.2
199.07506	2.7
202.06104	2.5
202.07788	2.6
203.07004	6.1
203.08647	3.1
203.18036	1.7
204.07748	5.9
205.06731	2.6
205.08627	5.3
207.08044	2.9
207.10052	1.6
209.08046	3.4
210.06648	1.8
216.07791	4.9
217.08522	11.6
218.07260	2.9
218.09334	5.4
219.08020	10.2
219.10139	27.9
220.08774	3.1
221.05907	2.8
221.08054	7.0
221.11607	1.9
231.08047	4.9
231.10146	12.4
233.05901	2.6
234.06650	4.8
235.07452	4.7
235.09547	1.5
236.08279	5.1
237.16383	1.7
239.07083	1.9
246.06648	3.5
247.07483	8.9
247.09680	4.1
248.08118	6.2
249.09079	5.2
249.11205	88.7
250.11594	2.8
251.07198	2.0
251.10587	3.2
261.08987	2.8
262.06067	2.0
263.06970	4.9
263.10693	3.5
264.07956	7.2
265.08438	2.9
266.09384	1.8
267.10126	1.8
270.08484	1.6
275.06989	4.5
276.07751	6.0
277.08499	8.2
279.07205	2.2
279.10104	11.9
281.08032	1.9
281.11676	1.7
287.05225	1.5
289.08374	1.9
291.06570	2.9
291.10123	6.4
292.07242	2.6
293.07996	3.9
294.08810	2.0
295.09644	4.2
296.10394	1.8
299.09158	1.5
305.08112	3.6
307.09668	12.3
308.10406	3.6
309.11179	3.3
311.12708	5.3
315.08426	3.9
319.09644	2.2
323.09106	3.5
323.12830	3.4
330.11053	6.6
336.10074	1.8
337.10532	6.9
338.11166	1.6
339.12106	3.9
341.13779	1.7
343.11780	1.6
351.12372	6.2
354.10681	1.6
355.11667	3.3
369.13315	50.5
370.13693	4.3
371.14713	2.8
383.14795	3.7
389.15878	16.7
401.15897	100.0
402.16138	5.3
419.16373	5.2
419.23517	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40519	2.6
67.05474	6.1
69.03418	6.6
69.07041	4.4
71.04990	4.2
71.62216	5.7
79.05482	8.7
81.03404	5.9
81.07032	10.2
85.02889	5.3
85.06515	4.8
87.40422	3.2
91.05464	6.0
93.07004	6.1
95.04955	4.4
95.08591	7.0
97.06531	3.4
99.04426	3.4
103.05512	4.4
105.03427	3.5
105.07006	7.5
107.04928	13.2
107.08573	4.5
109.02814	2.8
109.10156	4.5
111.08080	3.3
115.05424	3.3
117.07040	3.6
119.08582	4.3
121.10130	5.9
123.04408	5.0
123.11703	4.5
124.04322	2.5
124.05193	3.3
125.09567	3.1
129.06985	4.3
131.04918	5.4
131.08568	6.6
133.06456	6.2
133.10133	4.1
135.04408	3.6
137.05968	10.5
139.11168	6.9
144.05753	3.9
145.04828	3.0
145.06471	5.7
153.01765	4.8
156.05704	3.3
159.08043	9.3
161.05956	7.8
163.07520	5.9
167.07027	80.2
168.07414	4.1
173.06000	9.4
177.05411	4.1
181.04941	10.3
181.12198	3.6
183.06587	4.2
187.07452	7.8
190.06247	3.7
191.06992	7.2
191.50858	3.0
193.08577	5.4
205.08539	18.0
207.06448	3.2
208.05153	11.5
209.08105	4.3
213.06682	3.7
217.08551	18.4
219.10092	6.7
235.07315	3.8
236.04572	4.3
247.07402	5.9
247.09677	14.2
254.05801	5.7
257.04745	2.8
263.10733	4.1
269.08087	21.9
277.08426	4.4
282.05194	3.3
282.08838	6.0
291.10065	5.6
293.08005	3.3
300.06064	3.1
307.09641	5.4
310.08344	5.3
313.10645	3.4
315.08591	78.8
315.12256	4.7
316.08899	4.0
323.12708	5.1
330.10907	100.0
331.11502	9.0
337.10443	3.4
339.12360	4.7
343.11563	10.5
351.12253	9.2
356.71353	2.9
369.13199	12.4
371.14792	3.6
383.14932	23.1
401.12152	2.5
401.16046	19.7
419.12579	3.5
419.16888	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	419.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.05510	0.4
57.03431	0.5
60.29296	0.3
65.03928	1.4
66.07906	0.4
69.03417	2.8
69.07078	0.3
71.04983	0.8
71.24184	0.6
73.01012	0.4
73.02940	0.4
81.03407	3.7
83.04968	0.7
85.02896	5.3
85.19724	0.3
95.04955	4.9
97.02887	2.8
99.04446	0.9
101.05997	1.5
104.56429	0.4
109.02858	2.5
111.04436	1.5
116.47781	0.4
119.07062	0.4
121.02850	100.0
122.03184	1.3
127.03918	2.1
131.04913	0.5
137.05974	0.6
137.08101	1.3
139.03888	18.1
140.04289	0.4
141.07310	0.4
145.04926	0.9
150.72290	0.3
153.01822	2.3
168.06627	0.5
177.09064	0.4
181.04941	0.5
183.06613	0.4
229.55536	0.4
247.06076	0.8
265.07065	6.2
283.08084	22.2
284.08600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1544
Annotation	Itoside I
Peak:m/z	Relative Intensity
52.18113	0.3
53.03934	0.6
55.01869	0.4
55.05497	0.5
57.03429	0.9
59.04983	0.3
61.02913	0.5
65.03925	1.7
69.03418	3.4
69.07052	0.7
71.04979	0.9
71.61571	0.3
73.02871	0.4
79.05489	0.3
81.03405	4.7
81.07067	0.6
83.04961	1.0
85.02891	6.1
85.06524	0.6
91.05466	0.4
93.07047	0.5
95.04957	5.9
95.08584	0.3
97.02882	2.9
97.06528	0.4
99.04426	0.8
101.05996	1.7
105.06990	0.6
107.04942	1.5
107.08614	0.5
109.02869	2.6
111.04420	2.1
115.05435	0.4
117.06978	0.4
119.08609	0.3
121.02849	100.0
122.03205	1.6
122.06024	0.3
123.04409	1.2
124.07600	0.7
125.02336	0.3
127.03907	2.7
129.05476	0.4
129.09090	0.5
133.06502	0.4
135.08058	0.4
137.02281	0.5
137.05962	1.3
138.05450	0.4
139.03882	17.4
145.04941	0.7
146.05943	0.4
147.04395	0.5
147.07924	0.3
151.03946	0.5
152.07031	1.1
153.01808	5.2
161.05977	0.5
161.62874	0.3
163.07681	0.3
165.05461	0.8
165.09085	0.6
167.07018	0.8
171.02849	0.4
174.05466	0.5
175.51228	0.3
177.09079	2.9
182.08011	0.3
195.10135	0.3
205.12128	0.3
221.11710	0.4
223.13306	0.5
230.08171	0.7
242.08090	1.3
247.06003	0.7
257.13593	0.4
265.07004	5.2
278.10007	0.7
283.08081	16.7
284.08487	0.6
315.07013	0.4
383.15662	0.3
419.18674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05297	0.4
55.05510	4.2
56.38395	0.4
57.03433	3.5
59.04986	0.7
59.64083	0.3
65.03939	0.7
67.05484	0.3
69.03427	2.3
71.01345	0.8
71.04984	1.2
71.62057	0.6
73.06534	0.8
75.04469	2.1
78.87799	0.3
79.05491	0.5
81.07088	0.5
83.04974	0.4
85.02896	7.4
87.04453	1.3
91.05472	100.0
91.07592	3.3
92.05805	1.2
95.04964	0.5
95.08624	0.8
97.02879	3.7
99.00803	1.6
99.04417	1.2
107.04926	0.5
109.02860	0.5
110.06012	0.4
111.04444	0.9
112.07617	0.5
113.02354	1.3
115.06861	0.4
119.04911	0.7
121.02851	0.8
123.04474	0.4
127.03900	0.9
131.03389	1.3
131.08485	0.4
137.05962	7.4
137.06927	0.7
138.09108	2.1
139.03915	0.5
141.01791	0.5
149.02318	5.9
153.05455	0.4
155.07076	0.5
159.02887	0.7
166.08632	4.4
167.03311	0.4
167.07004	2.4
168.07291	0.7
173.04417	1.2
181.04964	0.6
193.08589	52.4
194.08916	1.5
211.09634	18.8
212.10004	0.7
221.08099	4.0
233.08011	0.5
235.09595	0.4
239.09135	0.5
246.28728	0.3
257.12796	0.6
291.08408	0.6
310.12701	0.4
330.10922	0.5
333.09503	0.7
337.12860	0.5
365.12183	0.4
383.13373	1.8
401.16092	0.5
418.16702	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
54.25976	0.5
55.01868	0.8
57.03428	1.0
61.02913	0.8
67.05486	1.0
69.03066	0.9
69.03420	9.0
69.07056	3.5
69.95219	2.8
70.06577	1.2
71.04996	2.6
73.02921	0.7
78.03445	8.0
79.05482	8.8
80.05011	1.7
81.03409	13.7
85.02899	9.1
89.49841	0.5
95.04911	0.8
96.04478	2.9
97.02897	3.1
97.06531	3.8
97.53467	0.5
99.04448	2.4
106.02906	47.0
107.03235	0.5
107.04930	1.4
108.75554	0.6
109.02869	8.4
110.06030	0.6
115.03950	0.6
115.07559	2.6
121.02845	1.7
124.03941	100.0
125.04296	0.9
127.03898	5.9
133.08583	3.0
138.05516	2.1
140.07048	0.7
150.80040	0.5
151.09669	3.2
152.06989	0.7
153.01807	1.4
164.06989	0.7
166.05022	1.6
166.08727	0.6
167.06941	0.6
175.07442	0.6
180.06543	3.6
207.06502	0.6
213.11263	1.0
221.07880	0.6
232.06134	2.5
235.76556	0.6
250.07071	11.5
256.11929	0.8
259.72635	0.5
268.08127	70.8
269.08475	1.0
375.32877	0.5
418.17020	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3356
Annotation	EnP(5,8)
Peak:m/z	Relative Intensity
55.05501	19.3
57.07057	6.6
67.05490	24.2
69.07053	26.8
70.13699	5.3
70.14109	10.7
71.04983	2.9
71.08620	3.7
79.05484	11.9
81.07049	47.2
83.04984	7.2
83.08613	13.3
85.06535	3.8
90.18061	2.8
91.05488	12.2
93.07033	50.6
94.07458	2.7
94.16910	2.6
94.90900	2.7
95.04963	3.5
95.08591	100.0
97.06505	3.5
97.10139	3.5
99.04428	6.7
101.06036	5.9
105.07017	25.4
107.08579	71.3
109.06518	5.1
109.10145	40.0
117.06959	3.8
119.08555	40.3
121.06512	3.8
121.10133	59.1
123.08043	3.6
123.11671	21.0
131.08560	4.3
133.10097	37.2
135.08052	9.7
135.11673	89.0
136.12054	4.3
137.05983	7.2
137.09499	2.7
137.13251	6.5
139.03862	4.2
145.10112	11.9
147.11659	37.2
149.09610	4.1
149.13228	49.7
153.09093	2.6
157.10052	2.9
159.11641	14.9
161.13234	23.4
163.11148	7.0
163.14806	24.9
165.09096	3.4
165.12688	4.1
167.07048	8.7
167.10631	3.7
169.08661	2.9
173.13252	6.0
175.14818	9.5
177.12750	32.0
177.16368	4.7
181.12236	8.7
187.14822	6.9
189.16386	17.9
191.14291	4.4
191.17917	65.9
191.19576	4.4
193.12297	6.2
195.13776	53.8
203.17923	50.0
204.18169	2.7
205.19548	9.1
207.13737	18.7
209.15291	17.0
213.16354	4.3
215.17975	4.3
217.19450	13.5
233.19008	6.9
235.16934	9.7
249.18417	4.8
251.20013	29.0
381.31512	5.1
399.27670	4.6
399.32611	78.8
400.32993	9.5
417.33478	19.2
418.34058	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	418.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.5
57.03408	0.8
69.03425	0.7
69.56132	0.6
69.56319	0.7
69.56738	3.0
77.00865	0.5
77.36910	0.6
79.05488	1.0
81.06998	0.7
85.02874	0.8
91.05423	0.6
100.07610	0.5
107.04903	0.6
109.02897	0.7
119.04909	0.5
121.10170	0.6
123.47175	0.6
137.05981	0.7
140.04927	2.4
154.06479	1.0
155.04808	1.0
155.06020	13.9
155.07288	0.9
155.08655	0.6
156.10184	1.5
161.05882	0.5
166.06526	1.2
167.05801	3.2
167.07312	2.4
168.06874	2.1
169.07591	22.7
170.05984	2.2
173.06006	0.6
179.05991	8.2
181.05016	2.0
181.07536	2.2
182.05901	0.9
182.08295	1.1
183.05508	12.7
183.09155	1.7
184.05896	0.9
184.07541	1.2
185.07057	6.4
193.07556	7.8
194.05998	1.5
195.05508	19.0
196.06305	10.1
197.07071	17.8
198.05467	5.0
198.07236	0.8
201.06566	1.8
207.05481	5.7
208.06303	1.8
209.07025	3.2
210.07820	1.3
211.04993	1.5
211.08592	4.7
213.06558	18.2
221.07085	14.4
222.07727	0.6
223.05022	2.6
224.05621	0.9
225.06560	33.0
226.07002	0.9
227.08118	1.4
228.12094	0.9
229.06073	14.2
237.06578	3.0
238.07349	3.3
239.04663	2.5
239.08110	19.7
241.06116	2.1
243.07643	6.2
249.06534	7.0
253.06075	5.9
255.07645	1.9
255.11067	0.7
256.08563	0.6
256.11514	0.9
257.05524	3.5
257.08429	0.5
265.06027	2.1
266.06863	0.7
267.07599	14.0
268.08020	1.1
269.05563	1.8
271.07101	24.2
272.07452	0.8
277.06012	7.8
277.15164	0.6
283.07208	1.0
285.08673	24.8
286.08939	1.7
295.07101	25.5
296.07343	1.3
306.08862	0.5
310.08176	1.1
312.09601	1.2
313.08133	32.4
314.08441	1.3
331.09229	9.3
340.09225	4.7
354.10803	1.9
358.10281	31.3
359.10727	1.2
372.11694	3.9
382.10178	5.5
400.11325	41.9
401.11475	2.9
418.12360	100.0
419.12683	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	417.3356
Annotation	Homaxisterol D1
Peak:m/z	Relative Intensity
52.26173	0.7
53.03942	1.3
55.05494	3.5
55.69479	0.7
57.03415	1.4
57.07055	3.6
67.05494	9.0
69.03422	0.9
69.06773	0.8
69.07061	9.0
69.68108	4.7
71.04990	1.4
74.33382	0.8
77.03925	0.9
79.05476	9.9
81.07045	24.5
83.04987	1.1
83.08604	5.8
85.06526	11.7
91.05470	8.4
91.50732	0.8
93.07031	34.4
93.07620	1.6
94.07391	0.8
95.04955	2.3
95.08592	26.4
97.06495	2.0
97.10153	1.8
98.20737	1.6
98.98447	5.1
99.08112	1.0
105.07015	24.4
106.07330	0.9
107.08581	38.9
109.06494	2.6
109.10143	13.6
111.08073	5.7
111.11738	0.9
116.81163	0.8
117.06994	3.3
119.08567	23.5
121.06521	1.1
121.10129	26.7
123.08061	2.0
123.11684	6.9
125.09677	1.2
131.08577	6.3
133.10117	19.2
135.08095	2.5
135.11674	17.4
137.09662	0.8
137.13210	2.3
139.07536	1.1
143.08536	1.2
144.09315	1.5
145.10124	5.6
147.11676	17.3
147.12776	1.4
149.09656	1.2
149.13237	57.2
150.13512	0.8
151.11195	1.2
151.14803	1.5
153.12752	1.0
155.01033	7.4
157.10094	1.9
159.11676	19.5
161.09608	1.0
161.13251	7.2
163.11136	1.7
163.14792	16.0
163.16075	1.2
165.12720	3.0
167.07124	1.0
171.11690	1.7
173.13226	4.7
175.11087	0.8
175.14787	9.6
177.12729	20.5
177.16327	0.8
179.14317	1.6
185.13228	1.0
187.14793	3.2
189.12761	1.1
189.16353	25.8
191.14313	3.3
191.17950	5.6
193.15862	2.7
195.13783	9.9
197.13246	0.9
199.14799	1.8
201.16347	4.4
203.17920	4.4
205.19528	4.3
207.13853	0.9
207.17406	14.3
208.17941	0.8
209.15379	1.3
209.19054	1.1
213.16406	1.4
215.18018	3.9
217.19525	1.9
219.17435	3.3
227.17888	1.1
233.18933	3.7
239.17947	1.3
263.23660	2.7
363.30417	2.8
381.31506	12.7
399.28418	1.1
399.32654	15.6
417.33609	100.0
418.33902	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	417.3357
Annotation	Homaxisterol D1
Peak:m/z	Relative Intensity
53.03936	0.6
55.01855	0.6
55.05503	2.3
55.08965	0.4
57.07060	1.2
59.66265	0.3
60.36813	0.4
65.03940	0.4
67.05494	3.4
69.02956	0.3
69.03387	1.1
69.07051	5.3
69.64802	3.1
71.04977	1.7
72.43526	0.4
79.05474	4.6
81.07043	12.2
83.04956	0.8
83.08598	2.1
85.06532	11.4
91.05471	3.7
93.07030	16.2
95.04926	0.8
95.08590	11.8
96.08929	0.5
97.06513	1.5
97.10158	0.9
98.21467	0.7
98.98468	0.6
105.07018	9.8
107.08578	21.8
109.06488	3.1
109.10133	5.8
111.08070	0.9
111.11714	0.6
117.07003	1.7
119.08557	10.7
121.06490	1.5
121.10118	13.4
122.10455	0.8
123.08028	2.7
123.11670	2.9
125.06026	0.5
125.09636	0.5
129.07005	0.7
131.08543	4.5
133.10107	10.3
135.08038	4.5
135.11655	6.3
137.05956	8.3
137.09630	0.6
137.13214	1.0
139.11075	0.5
143.08600	0.9
144.09370	1.2
145.10101	3.7
147.08029	0.5
147.11658	8.8
149.09598	3.5
149.13228	22.4
150.13519	0.6
151.11163	0.6
151.14844	0.5
155.01024	0.5
156.09334	0.7
157.10112	1.5
159.11671	10.5
161.13245	3.4
163.07556	1.8
163.11195	1.3
163.14789	11.1
163.16069	0.7
165.12721	1.0
167.07028	1.7
169.10181	0.5
171.11652	1.0
172.12358	0.5
173.13237	3.1
175.14819	4.9
177.09145	5.5
177.12723	14.4
177.16327	0.8
178.13084	0.4
179.14301	1.1
181.05013	0.5
181.12213	0.6
185.13289	1.2
187.11179	0.7
187.14749	2.6
189.12779	0.6
189.16360	13.0
189.18083	0.7
190.16621	0.8
191.10634	2.7
191.14279	2.3
191.17949	1.8
191.89326	0.5
193.15735	0.8
195.13759	4.3
197.13260	0.9
199.14804	1.1
201.16345	2.1
203.17940	1.0
205.15878	0.6
205.19560	1.3
207.17406	3.6
213.16437	0.5
215.17917	1.0
217.15938	0.6
217.19609	0.8
219.17484	0.9
227.17955	0.7
233.19017	1.5
245.18967	0.5
306.28271	0.5
363.30856	0.5
381.27332	0.6
381.31735	2.5
399.28851	1.8
399.32962	9.5
400.32956	1.2
417.33649	100.0
418.34006	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	417.3358
Annotation	Homaxisterol D1
Peak:m/z	Relative Intensity
53.03929	0.9
55.01856	1.2
55.05498	4.8
57.03416	0.9
57.07065	1.1
58.44247	0.5
66.31123	0.5
67.05495	9.7
69.03409	1.2
69.07063	10.3
69.35589	0.4
71.04983	5.0
71.08609	0.9
71.63173	0.7
73.67776	0.4
79.05473	5.2
81.07045	18.0
83.04953	2.6
83.08611	3.5
85.06531	24.4
86.06886	0.6
91.05464	5.6
93.07028	13.5
95.04951	1.5
95.08591	34.0
96.08932	0.8
97.06508	2.6
97.10164	1.7
99.04475	0.5
99.08046	0.7
103.05402	0.6
105.07014	8.4
107.04955	1.0
107.08577	25.4
109.06515	1.6
109.10140	18.1
111.08078	2.2
117.07012	1.6
119.04932	1.3
119.08561	12.3
120.08876	1.1
121.06474	1.6
121.10119	16.7
123.08041	2.5
123.11695	5.6
125.09612	1.9
129.07002	1.0
131.08572	2.7
133.06528	1.2
133.10110	7.9
135.08031	5.6
135.11671	11.5
137.09610	2.7
137.13213	3.5
142.07791	0.6
143.08542	1.6
145.10107	5.4
147.04379	3.8
147.08035	2.2
147.11702	4.6
149.09610	4.6
149.13228	4.7
151.11186	1.1
151.14854	0.5
153.12772	0.8
155.08556	0.9
156.09344	0.6
157.10126	2.2
159.11655	4.6
161.09555	2.6
161.13232	4.5
163.11153	11.1
163.14783	7.2
165.12772	1.5
167.06998	3.8
171.11723	2.2
173.05951	0.6
173.09549	1.1
173.13243	3.3
175.07510	0.5
175.11124	3.4
175.14720	3.6
177.12709	3.4
177.16371	3.4
179.14325	0.9
179.17908	0.6
181.04988	1.6
181.12325	0.5
181.15894	1.3
185.13242	1.7
187.11174	0.7
187.14766	3.8
189.12712	9.4
189.16347	4.1
190.13147	0.7
191.14288	1.4
191.17960	0.6
193.12239	0.6
193.15842	1.1
195.13721	0.5
197.13330	1.3
199.14801	1.7
201.16386	2.2
203.14235	3.1
203.17928	1.2
205.15845	8.6
207.13834	1.7
213.16389	1.4
215.14278	1.0
215.17920	1.3
217.15886	3.7
217.19441	0.7
219.17461	1.3
221.19041	0.6
223.17059	0.7
225.16141	0.7
227.17986	0.6
229.15898	0.8
231.17416	3.3
235.17079	0.6
249.18463	0.9
251.17950	0.5
311.24030	0.7
311.81207	0.6
313.25281	0.7
363.30432	0.6
381.27563	1.2
381.31580	3.9
399.28754	1.6
399.32840	12.8
400.32895	1.0
417.15427	1.4
417.33670	100.0
418.34085	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	417.3359
Annotation	Homaxisterol D1
Peak:m/z	Relative Intensity
55.05500	6.7
57.07078	1.2
61.96090	0.8
67.05498	11.4
69.07062	12.4
69.63812	7.5
71.04988	3.5
79.05470	6.8
81.07047	25.3
83.04975	1.6
83.08604	5.3
85.06533	39.9
91.05462	8.1
93.07026	21.8
95.04968	1.9
95.08594	44.7
95.73160	1.0
97.06532	4.2
97.10179	1.8
98.21458	2.1
105.07017	23.4
105.07668	1.8
106.07367	1.0
107.08584	34.0
107.92528	1.0
109.06492	5.7
109.10148	15.1
111.08091	4.0
117.07026	1.9
119.08563	33.3
120.08920	2.1
121.06477	2.0
121.10126	25.1
123.08054	2.4
123.11671	7.7
125.09624	2.8
131.08546	7.4
133.10118	21.9
133.11072	2.0
135.08084	4.0
135.11676	11.8
137.09634	2.6
137.13245	2.6
139.07539	3.1
143.08539	3.8
145.10101	8.7
147.11674	19.0
147.12759	1.3
149.09644	3.0
149.13242	12.6
151.11209	2.2
153.09158	1.2
156.09264	1.7
157.10135	4.8
159.11690	11.9
160.12433	1.3
161.09590	1.4
161.13234	9.4
162.13777	1.0
163.14812	10.1
165.12775	3.0
167.07069	5.2
167.14330	3.8
169.10100	1.2
170.10925	1.5
171.11711	5.0
173.13242	9.9
175.14807	100.0
176.15228	2.4
177.09222	1.2
177.12790	2.3
177.16475	1.5
179.14293	2.2
181.04973	1.9
181.15916	2.9
183.11688	1.7
185.13274	3.5
187.14807	5.2
189.12706	1.1
189.16357	11.1
190.16685	1.1
191.14275	8.9
191.17934	15.9
193.15897	5.7
197.13324	1.7
199.14851	3.8
201.12868	1.1
201.16454	3.3
203.17957	4.0
205.15897	1.7
207.17517	3.8
209.15298	16.2
209.17038	1.3
211.14897	1.6
213.16376	5.2
215.17978	2.3
217.15810	2.0
219.17445	2.6
223.14954	1.2
225.16391	1.8
227.18025	2.6
231.17633	1.5
233.19044	2.3
239.17911	2.5
253.19499	2.0
259.20639	1.2
267.21106	1.3
285.22116	1.2
295.24228	1.3
381.27380	1.8
381.31589	16.7
394.40131	1.0
399.28271	1.6
399.32907	13.0
417.15735	1.7
417.33771	87.4
418.34116	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	417.2995
Annotation	12beta,22-Dihydroxy-24-methylscalar-17-en-24,25-olide
Peak:m/z	Relative Intensity
55.05492	8.5
57.07066	1.8
67.05502	12.4
69.03403	4.1
69.07054	18.7
71.04971	4.8
71.62231	2.4
79.05478	12.9
81.07049	35.9
83.04990	2.9
83.08619	3.8
85.06527	22.4
89.84965	1.8
91.05460	15.8
93.07037	41.9
95.04964	4.6
95.08595	36.9
96.08945	2.4
97.06523	4.8
97.10144	4.4
99.08077	2.1
105.07003	29.0
107.07849	4.0
107.08579	73.5
108.08923	3.8
109.06522	8.9
109.10140	23.5
111.08071	6.0
117.06990	4.1
119.08572	44.4
119.09438	2.3
121.06487	3.1
121.10127	59.9
121.11000	2.9
122.10506	2.3
123.08041	4.8
123.11700	12.1
125.09612	2.5
129.06972	2.2
131.08575	11.7
131.53517	2.1
133.10107	54.5
134.10423	2.6
135.08032	16.3
135.11665	25.2
137.09570	3.0
137.13243	5.0
141.09126	2.3
144.09360	2.1
145.06540	2.2
145.10071	19.4
147.08002	2.6
147.11646	20.5
149.09599	38.8
149.13232	39.4
151.11153	24.7
157.10092	6.9
159.08009	2.3
159.11687	22.7
161.09566	4.2
161.13228	17.5
163.11147	16.3
163.14807	27.7
165.54660	1.8
167.07051	8.2
171.11636	5.7
173.09583	2.4
173.13263	14.8
175.11194	4.6
175.14813	29.2
177.08998	3.9
177.12711	25.7
177.16438	2.3
179.10634	21.5
179.14282	2.9
181.04929	5.0
181.12175	3.1
183.11661	3.3
185.13202	6.7
187.14795	17.4
189.12634	2.7
189.16364	41.2
191.10629	7.9
191.14302	6.0
191.17976	3.1
193.12207	5.2
195.13789	8.6
197.13168	3.7
199.14857	4.9
201.12672	2.7
201.16359	6.7
203.14316	3.0
203.17976	6.3
205.15868	20.6
205.19441	3.1
207.13889	4.1
207.17361	12.0
209.13368	2.0
209.15303	2.6
211.14706	2.5
213.16339	5.7
215.14221	2.5
215.17949	5.0
217.15810	3.3
217.19540	2.7
219.13770	4.5
223.14758	2.4
225.16328	3.1
231.17433	8.6
233.15381	4.5
249.18600	4.6
298.35217	1.8
335.27161	3.2
343.25873	2.2
352.63104	1.9
353.28955	3.3
357.27698	2.4
363.26688	5.6
371.29492	6.7
381.27551	15.8
381.31662	4.9
399.28491	78.1
399.32376	12.4
400.29184	5.8
417.15536	2.9
417.29318	32.6
417.33557	100.0
418.34100	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	417.1749
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.29483	0.8
51.02365	1.0
53.03937	4.1
55.01872	2.3
55.05501	3.1
57.03430	2.6
59.05001	1.0
61.02901	2.2
67.05492	7.4
69.03421	11.8
69.07056	16.8
69.55898	7.9
70.06578	2.4
71.04979	8.6
73.02911	1.1
73.06548	1.4
79.05483	46.4
81.03404	10.2
81.07059	5.0
82.06554	1.2
83.04965	4.0
85.02894	19.7
85.06552	3.8
86.09688	1.9
91.05454	6.5
93.07035	4.2
95.04961	9.6
95.08598	2.7
97.02881	6.2
97.06516	22.5
98.88890	1.0
99.04425	2.1
99.08112	0.9
105.03375	100.0
105.07021	5.6
106.03706	2.4
107.04955	1.5
107.08588	3.2
109.02863	7.9
109.10188	2.1
111.04407	1.1
111.08070	1.5
115.07549	14.3
117.07004	2.1
119.08509	2.4
121.02842	6.6
121.06475	1.7
121.10151	2.8
121.96056	0.9
123.04421	17.3
123.11689	1.3
125.09617	2.7
127.03902	10.2
127.11152	1.4
133.04881	1.1
133.06480	1.3
133.08588	28.9
133.10065	5.1
134.08910	1.0
137.05949	3.0
143.10617	4.4
145.04958	3.3
145.06464	1.6
145.10127	1.4
147.04347	2.7
147.11685	2.7
149.13245	1.5
151.09636	36.0
161.05951	1.0
163.03903	1.3
167.07013	8.6
173.06007	1.2
175.07458	1.0
177.05606	1.0
179.59402	0.9
181.04842	4.4
189.07634	1.1
189.16296	1.2
193.08588	2.3
201.16426	1.4
217.08601	1.4
219.17354	2.7
220.17903	1.0
231.06490	1.3
237.14815	2.7
237.18405	2.1
249.07507	10.1
267.08621	24.5
283.02356	2.3
325.07104	1.1
337.10712	1.7
341.10236	1.1
368.12292	1.0
394.48938	1.0
399.14639	1.2
417.16025	3.6
434.25873	1.0
436.29044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.7
52.03141	0.7
53.03917	0.8
55.01853	1.7
55.05494	0.8
60.54553	0.7
65.03922	3.5
67.05488	3.1
69.03399	1.9
69.07039	2.2
70.68244	1.3
70.68634	1.4
71.04971	0.8
77.03909	1.6
78.04701	3.9
79.05491	6.1
81.03400	1.9
81.06591	0.7
81.07015	4.1
82.07343	0.6
83.04950	1.1
83.08612	0.9
85.02880	2.3
85.06523	0.7
85.43969	0.6
89.03916	0.9
90.04682	2.1
91.05463	6.0
93.03345	0.8
93.07027	2.6
94.04202	0.9
95.04961	9.8
95.08578	2.6
97.02880	1.1
97.06501	1.8
102.04641	1.6
103.05454	12.1
104.06255	6.4
105.03365	2.5
105.07012	14.9
106.04140	2.2
107.04932	6.9
107.08562	1.6
108.02061	1.1
109.02869	1.2
109.06515	1.3
109.10111	2.2
110.03658	1.3
111.04434	0.9
111.08022	0.7
115.05431	8.9
117.03368	2.4
117.06996	5.7
118.04126	3.4
119.04926	2.6
119.08566	2.6
120.02016	0.7
120.05714	0.7
121.06500	3.7
123.04406	13.1
123.11624	0.8
124.05194	2.8
125.05951	2.0
125.09645	1.1
127.03832	0.7
127.05401	1.2
128.78836	0.8
130.04156	1.9
131.04907	38.3
131.08574	1.3
132.05696	42.1
133.02829	7.0
133.06482	12.0
133.10165	1.2
135.04404	2.1
135.07999	1.0
135.11685	0.7
137.05956	4.6
138.03123	0.8
142.02649	0.8
143.04903	2.4
143.05949	1.0
144.05617	0.7
145.06465	9.0
145.10115	1.4
146.03580	3.3
147.04369	2.6
147.08014	1.3
147.11600	0.7
148.05185	3.6
148.91600	0.6
149.05969	4.6
151.03883	10.2
151.07489	1.5
152.04645	2.4
153.05496	0.9
154.06230	0.7
155.06004	2.3
156.05693	1.8
157.10181	0.6
158.24040	0.8
159.04391	1.7
159.11678	2.0
160.05170	16.8
161.02330	5.2
161.05962	38.9
162.03107	1.0
162.06633	1.4
163.03920	4.7
163.07475	4.4
163.44177	0.7
165.01801	0.8
165.05438	5.4
165.09151	1.8
167.07013	100.0
168.07341	2.0
171.06512	2.8
173.05946	13.6
173.07335	1.1
173.13264	0.8
175.03809	0.9
175.07536	8.3
176.04707	2.1
177.05464	8.7
178.06216	1.5
179.03392	6.0
179.06987	3.5
180.07732	4.9
181.04922	35.6
181.08571	2.6
182.05299	1.3
182.09364	2.2
183.06548	0.9
189.01724	1.1
189.05368	1.0
190.06221	0.9
191.03383	1.4
191.07007	26.1
192.07777	36.2
193.08588	5.0
195.06499	1.9
201.05444	1.7
201.16191	0.7
202.06265	0.8
205.06697	1.1
205.08580	3.3
207.02859	12.8
207.06538	1.8
207.10031	0.7
208.03548	0.9
209.04388	1.7
209.08032	3.1
210.08871	2.4
211.09628	1.1
217.08588	4.6
219.06392	1.2
219.10092	0.8
221.04364	1.0
221.08063	1.5
223.05911	1.0
233.08029	9.6
235.09581	3.7
237.18472	0.8
241.08635	1.0
245.07994	1.0
249.05371	0.8
249.11293	0.7
250.06218	0.9
255.06480	4.4
255.19550	1.9
263.05429	0.7
263.09186	2.5
264.07657	1.0
269.07727	0.7
278.05862	1.1
279.06567	1.1
279.14664	0.8
281.04633	0.7
284.10706	0.7
292.07358	0.8
292.78122	0.7
295.09738	0.9
307.05902	1.8
321.07492	1.2
323.09116	0.9
335.05313	1.1
339.08542	1.9
339.12216	1.0
352.05713	1.2
355.11859	1.0
367.08066	70.9
368.08578	4.2
371.14914	0.8
381.13312	0.9
385.12799	1.1
387.10947	1.3
387.14557	10.8
399.10358	8.9
399.14990	1.2
417.11407	8.0
417.15390	29.2
418.15970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.01857	2.1
55.05498	1.4
65.03931	3.7
67.05486	2.6
68.99744	1.0
69.03424	1.5
69.07042	2.1
70.28867	0.7
70.87082	2.3
71.04984	1.3
77.03902	1.7
78.04713	4.4
79.05475	7.5
81.03411	1.5
81.07045	4.6
83.04976	1.3
85.02877	2.4
85.06534	1.3
89.03931	0.8
90.04692	1.7
91.05460	7.4
93.03390	0.9
93.07030	2.9
95.04951	10.0
95.08583	2.6
97.02910	1.2
97.06525	2.1
102.04672	2.4
103.05450	15.5
104.06250	8.5
105.03376	3.4
105.07017	19.5
106.04138	2.5
107.04942	8.7
107.08570	1.9
109.02873	1.0
109.06492	2.4
109.10134	2.4
110.03659	1.6
111.04425	1.2
115.05439	12.1
115.06227	0.9
117.03348	2.1
117.07014	6.3
118.04160	5.4
119.04923	2.9
119.08556	2.7
120.02027	1.1
121.06499	3.7
121.10130	2.0
122.03679	1.3
123.04410	16.6
124.05185	2.7
125.05976	2.1
127.03953	1.1
127.05443	1.0
129.07007	1.5
130.04141	2.7
131.04913	54.9
131.08553	1.6
132.05696	59.1
133.02834	9.8
133.06491	17.1
133.10161	1.8
134.03566	1.3
135.04384	2.4
135.08063	1.2
135.11656	0.9
137.05974	5.6
138.03098	1.4
139.07509	0.8
142.02623	1.0
143.04916	1.7
143.06023	1.5
145.06468	10.1
145.10056	1.2
146.03595	4.6
147.04373	3.3
147.08043	0.7
148.01508	1.3
148.05177	3.3
149.02359	1.3
149.06006	4.9
151.03896	12.4
151.05087	1.2
151.07539	2.5
152.04686	2.4
153.05469	1.3
155.05997	2.6
156.05580	0.8
157.06433	1.0
159.04391	1.9
160.05183	20.8
161.02367	6.4
161.05960	50.8
162.03047	1.2
162.06656	2.6
163.03883	4.8
163.07532	6.1
165.01791	1.5
165.05484	4.7
165.06673	0.7
167.07022	100.0
171.06508	1.9
172.05258	0.7
173.05957	15.5
175.07541	8.2
176.04707	2.4
177.05461	12.0
178.06223	2.6
179.03358	10.2
179.06969	3.9
180.07764	6.7
181.04939	38.2
181.08556	2.3
182.09377	1.7
187.07562	1.6
189.01825	0.8
191.03358	2.4
191.05423	0.8
191.07001	29.3
192.07791	40.6
193.04929	2.1
193.08580	6.7
195.06529	2.6
201.05431	1.3
205.08563	2.7
207.02852	16.0
207.06500	0.9
208.03584	0.9
209.04454	2.6
209.08041	2.3
210.08842	3.4
211.09528	1.0
217.08656	3.6
218.05588	1.2
219.10242	0.8
219.17435	1.0
221.04422	1.0
221.07941	1.6
223.05853	1.0
225.05495	1.2
233.08020	7.4
235.09717	2.8
236.04611	1.4
237.18500	1.0
245.07910	0.7
250.06203	0.8
251.06871	1.1
255.06470	4.8
255.19521	1.5
261.05420	1.0
263.05493	1.2
263.09125	2.0
264.03940	1.0
265.05057	0.8
269.08102	0.7
279.06427	1.9
293.04532	1.1
307.06119	1.1
307.09375	1.0
321.07492	1.6
324.06223	1.6
334.69821	0.9
339.08563	2.1
349.07010	1.6
352.05887	0.9
367.08063	88.4
368.08496	4.1
369.13565	1.1
381.13516	2.0
384.08392	1.2
385.12720	0.8
387.10431	2.4
387.14600	10.2
399.10416	10.0
399.14294	1.4
417.11340	13.3
417.15414	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
53.42577	0.2
55.01862	0.4
55.05500	2.3
56.74570	0.2
57.07063	0.3
59.04994	0.4
65.03928	0.6
67.05488	2.5
69.03416	0.5
69.07058	2.7
69.51922	1.9
70.06586	0.6
71.04961	0.5
72.12929	0.3
73.01167	0.3
79.05491	2.5
81.03393	0.3
81.07047	5.2
83.04948	0.7
83.08599	1.4
85.02885	0.4
85.06532	1.7
91.05463	6.6
91.06003	0.5
92.05860	0.3
93.07029	6.0
95.04965	0.7
95.08591	9.2
97.02879	0.3
97.06505	0.6
97.10129	0.6
99.04442	1.1
101.06019	1.0
103.05458	0.7
104.06233	0.8
105.07012	4.5
107.08573	8.8
109.06490	1.0
109.08354	0.3
109.10130	4.6
111.08094	0.6
113.09647	0.3
115.08681	0.3
117.06998	2.1
119.08559	100.0
120.08883	3.3
121.06470	0.7
121.10116	6.1
123.08038	0.8
123.11678	1.8
125.09592	0.8
129.07016	0.5
131.08542	2.3
133.06464	1.5
133.10109	7.3
135.08008	1.2
135.11661	6.9
137.05946	1.2
137.09575	0.3
137.13203	0.6
142.07813	0.4
143.08548	0.9
144.09322	0.4
145.10095	5.7
147.07944	0.3
147.11665	6.3
149.09613	0.7
149.13245	3.0
149.23427	0.3
151.11241	0.5
153.09114	0.5
157.10150	1.0
158.10716	0.3
159.11671	6.9
161.09584	0.6
161.13235	3.5
163.11159	0.9
163.14758	2.0
165.12730	0.6
167.10574	0.4
169.10141	0.5
171.11665	1.3
173.13219	2.8
175.11180	1.2
175.14796	2.8
177.09102	0.9
177.12709	2.3
177.16342	0.6
179.14279	0.6
181.12230	0.7
183.11678	0.5
185.13248	1.1
187.14796	5.0
189.12772	1.1
189.16357	7.8
191.10599	0.7
191.14297	1.0
191.18068	0.6
193.12209	0.9
193.15829	0.4
195.11865	0.4
195.13737	2.8
197.13321	0.4
199.14778	0.9
201.16348	6.4
203.14160	0.4
203.17924	2.9
205.15887	1.0
207.13725	3.0
207.17345	1.8
209.15329	1.2
211.14899	0.4
213.16431	0.9
215.14474	0.4
215.17917	2.4
217.15958	0.4
217.19548	0.4
219.17302	0.6
221.15317	0.7
223.16904	0.4
227.17978	0.5
233.19032	0.6
235.16899	0.3
239.17923	0.5
241.19481	0.7
247.16853	0.4
249.18399	0.6
255.20953	0.7
261.18439	0.6
269.35681	0.3
275.20175	0.3
287.19885	0.4
309.21762	0.3
323.24020	0.3
327.23129	0.7
355.26263	0.6
379.25928	0.6
379.30023	0.9
397.31067	13.4
398.31348	0.8
415.27344	0.4
415.32434	7.4
416.32556	0.5
419.89789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01857	1.1
55.05497	12.4
57.03422	1.2
57.07066	5.3
59.04997	1.1
60.83059	0.9
65.03928	1.0
67.05495	18.3
69.03414	1.9
69.07057	14.7
69.13291	0.9
69.63778	4.3
69.64202	3.0
71.04245	0.9
71.04989	2.8
71.08618	1.4
78.37811	0.9
79.05479	11.1
81.03429	1.2
81.06650	0.9
81.07045	61.0
83.04971	4.2
83.08622	6.4
85.06525	5.8
91.05456	12.2
93.07030	29.4
95.04977	3.7
95.08592	100.0
96.08940	2.2
97.06532	3.0
97.10158	2.5
98.21583	1.1
99.04453	4.3
101.06023	3.8
105.07009	22.1
105.07657	1.7
107.08577	43.5
109.06507	2.5
109.10139	32.8
111.08099	4.1
111.11738	1.2
117.07041	3.8
119.08561	47.0
121.06526	3.7
121.10123	40.0
121.11012	1.3
122.10476	1.4
123.08069	3.6
123.11703	13.0
125.09660	2.0
127.11158	1.1
130.07805	1.1
131.08545	8.9
133.06477	1.6
133.10106	36.5
135.08061	4.7
135.11670	39.6
135.12683	2.2
137.09648	2.1
137.13234	42.8
139.22511	1.0
141.09122	1.0
143.08589	2.5
145.10103	16.1
147.08112	1.7
147.11664	34.6
149.09595	5.5
149.13239	11.5
149.14178	1.1
151.11205	3.1
151.14859	4.0
156.09442	1.8
157.10088	5.5
159.11679	15.2
161.09692	2.3
161.13249	13.6
163.11147	6.9
163.14864	5.6
165.12785	3.9
169.10135	2.0
171.11678	5.5
173.13217	9.0
175.11150	5.4
175.14769	8.3
177.12718	8.6
177.16263	4.6
179.14348	2.6
181.12288	4.4
183.11763	3.4
184.07393	1.0
185.13307	3.9
187.14786	6.3
189.12782	3.6
189.16347	19.2
189.17853	1.5
191.14365	3.5
191.17917	21.6
191.19510	1.2
193.12180	4.9
195.11920	1.5
195.13757	12.3
197.13390	1.8
199.11197	1.6
199.14906	2.7
201.12712	1.6
201.16373	12.0
203.14569	1.0
203.17932	15.0
205.12296	3.5
205.15857	2.0
207.13780	11.2
207.17400	11.0
209.13409	1.3
209.15367	1.6
211.14908	3.1
213.16412	2.5
215.14386	1.2
215.18065	4.5
217.19661	1.9
217.75641	1.0
219.17528	3.9
221.19080	4.5
225.16328	2.5
227.18123	2.1
229.16084	1.5
233.15466	1.9
233.19017	2.3
235.16910	2.6
241.19536	1.7
243.17535	2.1
243.21123	1.1
245.15506	1.1
247.16975	4.0
249.18657	1.2
255.21292	1.5
259.17068	1.4
261.18616	4.0
273.18576	2.5
275.20218	2.5
287.20169	1.2
291.19553	2.1
301.21689	1.2
329.24756	1.1
367.61539	1.2
369.28027	1.3
379.26004	1.8
379.30194	6.6
397.27225	2.9
397.31186	33.2
398.31534	2.2
415.32257	47.0
416.32565	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3201
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
53.03912	0.9
54.42336	0.7
55.01842	0.7
55.05503	11.0
57.03398	1.1
57.07039	3.1
59.04958	0.9
67.05501	12.3
68.63409	0.7
69.03387	0.9
69.07058	16.5
71.04972	1.2
71.08591	0.8
73.66632	0.6
79.05482	10.2
81.07047	32.9
82.74458	0.7
83.04943	2.8
83.08601	5.8
85.06541	6.1
91.04964	0.8
91.05466	11.1
93.07030	29.7
95.04922	3.0
95.08595	49.9
96.08878	0.9
97.06519	1.7
97.10128	2.3
99.04450	5.0
99.08103	0.7
101.05988	4.6
103.05481	1.1
104.14977	0.7
105.07019	38.9
107.08580	50.2
109.06510	5.0
109.10144	24.2
111.08030	2.8
117.07017	3.7
119.08566	61.5
120.08852	1.3
121.06471	2.2
121.10127	36.8
122.10458	0.9
123.08065	3.6
123.11700	10.3
125.09579	1.8
127.07552	1.4
130.07753	1.0
131.08537	9.1
133.06532	0.9
133.10112	40.6
134.10378	1.4
134.34499	0.9
135.08066	3.7
135.11676	35.3
137.09561	2.2
137.13280	3.5
139.07492	1.4
141.06935	0.9
142.07751	1.8
143.08600	3.6
144.09297	1.7
145.10098	26.5
147.07983	1.5
147.11671	66.0
148.12001	2.0
149.09648	3.6
149.13239	15.5
151.11119	2.8
151.14674	0.7
153.09079	2.3
155.01025	1.0
155.08476	0.8
156.09320	1.1
157.10097	6.9
158.10799	1.0
159.11674	32.2
160.12415	1.2
161.09538	3.0
161.11966	1.4
161.13242	20.1
162.13574	0.8
163.11189	6.9
163.14799	16.1
165.12733	21.7
167.10648	2.3
169.10069	1.2
169.29465	0.8
171.11674	4.2
172.12422	1.9
173.13243	14.7
174.13954	1.8
175.11176	14.3
175.14801	27.1
176.15263	1.0
177.12759	6.7
177.16338	2.2
179.10777	0.9
179.14326	3.7
181.12183	5.2
183.11644	1.8
185.13234	4.7
187.14796	19.7
188.15413	0.8
189.12831	5.7
189.16357	100.0
190.16692	2.5
191.14256	4.8
191.17931	6.2
193.12204	19.9
193.15813	3.8
195.11932	1.2
195.13777	10.2
197.13261	1.9
199.14775	3.7
201.16368	15.3
203.14325	2.3
203.17938	15.9
205.15901	2.4
205.19519	1.3
207.13835	10.9
207.17413	30.6
209.15367	5.0
211.14848	1.3
213.16315	5.0
215.14403	1.3
215.17923	23.2
216.18176	0.9
217.15800	2.2
217.19534	2.5
219.17461	2.1
221.15324	3.4
221.18983	1.8
223.16879	5.7
225.16391	1.9
227.17934	2.7
229.19485	1.4
231.17371	2.1
233.15376	1.4
233.18968	7.2
235.16896	6.3
239.17969	1.4
241.15845	0.9
241.19434	1.6
243.17416	1.6
247.17044	1.4
249.18472	14.1
251.20061	4.0
255.17455	1.3
255.21161	2.1
257.18906	0.8
258.46292	0.9
259.16751	0.9
261.18481	2.2
267.17358	0.7
267.21213	0.7
269.18921	1.3
273.18497	2.6
275.20114	0.8
301.21539	1.3
327.23212	1.2
335.26962	0.9
341.24881	0.8
351.30502	1.9
355.26205	0.8
361.28848	2.9
379.25522	1.4
379.29922	14.1
379.34457	1.2
380.30640	0.9
381.78781	0.7
397.31000	65.5
398.31439	3.5
415.32108	47.9
416.32367	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3199
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
55.01857	2.7
55.05501	12.9
57.03419	1.1
57.07072	3.8
59.04984	1.7
60.03315	0.8
67.05490	16.3
69.03416	2.5
69.07055	15.5
71.04980	1.6
71.08623	1.6
77.03901	1.0
79.05473	13.1
81.07042	35.5
82.07394	1.0
83.04972	3.5
83.08601	7.2
85.06540	6.1
91.05453	12.9
93.07028	35.7
94.07366	1.3
95.04953	3.6
95.08589	59.3
96.47769	0.8
97.06522	4.5
97.10152	2.0
98.21488	2.8
99.04453	4.2
101.06003	5.1
103.05455	1.2
104.86272	0.8
105.07012	35.1
107.04930	0.9
107.08573	62.2
108.08915	1.2
109.06494	4.5
109.10138	27.1
111.08059	5.5
115.07539	1.1
117.06985	7.6
118.91603	0.7
119.08560	67.0
120.08829	1.0
121.06483	3.3
121.10118	41.1
123.08047	4.9
123.11681	9.0
125.09608	2.4
127.07584	1.9
127.60545	0.8
129.06976	3.0
130.07724	1.4
131.08540	19.3
133.10106	48.9
135.08076	6.1
135.11667	49.6
136.11958	1.3
137.09595	1.8
137.13228	2.5
139.07544	1.5
143.08511	5.5
144.09312	3.6
145.10092	33.9
146.10832	1.4
147.08018	2.3
147.11655	36.3
148.12007	1.2
149.09586	5.4
149.13239	17.5
151.11172	3.2
153.09082	2.9
155.08589	1.2
156.09346	1.8
157.10098	6.6
158.10857	3.0
159.11659	51.6
160.12074	1.7
161.09610	3.1
161.13229	42.0
163.11133	8.6
163.14793	11.7
165.09105	1.2
165.12759	3.5
167.10611	1.4
167.14178	0.8
169.10065	2.2
170.10828	1.1
170.28163	0.8
171.11685	6.4
173.13242	29.3
175.11229	4.2
175.14798	24.0
177.09187	1.4
177.12724	18.5
177.16338	5.7
179.10683	2.1
179.14267	4.4
181.12216	4.6
183.11676	3.2
185.13206	5.0
186.13997	1.3
187.11105	1.4
187.14783	17.5
188.15477	1.7
189.12787	5.5
189.16344	39.9
190.16637	1.8
191.10667	1.3
191.14264	11.9
191.17825	3.7
193.12177	2.7
193.15797	3.9
195.11884	1.4
195.13760	13.8
197.13181	2.4
199.14798	5.1
201.16350	72.4
202.16730	1.6
203.14307	2.0
203.17918	15.7
205.12213	1.1
205.15863	3.6
207.10135	1.1
207.13766	11.7
207.17412	7.4
209.13319	1.5
209.15358	5.2
211.14816	2.2
213.16365	2.5
215.14404	1.0
215.17900	11.2
216.18263	1.0
217.15804	2.8
217.19420	1.7
219.13783	2.4
219.17383	15.2
221.15317	2.2
221.18956	1.5
225.16383	1.0
227.17882	1.4
229.19492	1.1
229.67757	1.0
231.17444	1.3
233.15237	1.9
233.18944	7.0
235.16891	11.7
237.18449	1.5
239.17883	1.1
243.17409	2.2
251.17876	0.9
251.20078	6.2
261.18417	2.5
317.59103	0.9
327.23169	1.1
361.28912	3.9
369.27704	1.1
379.25989	2.0
379.29974	15.3
380.29980	1.1
397.31021	100.0
398.31299	7.6
415.32397	43.6
416.32224	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.4
55.01860	6.5
55.05499	10.3
57.03416	4.8
58.49451	2.3
59.76576	2.4
67.05486	18.0
69.03418	33.6
69.07061	17.9
69.50273	14.5
69.50690	7.7
71.04978	13.1
79.05475	19.2
81.03408	44.9
81.07047	45.5
83.04969	30.6
83.08611	5.1
83.45422	2.0
85.02883	21.0
85.06516	6.3
91.05469	18.5
93.07032	56.7
95.04941	17.0
95.08599	21.6
97.02863	13.5
97.06510	34.3
98.21654	3.6
99.04430	24.3
101.06004	2.5
105.07023	40.9
107.04936	4.9
107.08579	34.4
109.02854	30.1
109.06493	22.5
109.10137	8.1
111.04436	3.6
111.08071	24.1
117.06988	5.5
119.04928	2.3
119.08562	25.9
121.06487	45.7
121.10120	7.6
123.04386	3.3
123.08044	9.6
123.11686	12.2
125.05970	16.6
127.02956	4.9
127.03896	100.0
127.07530	7.7
127.53289	2.7
129.07010	3.2
131.08565	7.1
133.06433	3.8
133.10132	20.0
135.04390	2.8
135.08057	19.2
137.05959	4.9
137.09593	3.6
139.07527	17.6
142.07744	3.8
143.07071	16.7
143.08542	7.5
145.04944	3.6
145.06445	3.9
145.10117	8.0
147.08011	4.6
147.11670	63.6
149.13245	5.0
151.07516	4.0
151.11163	3.7
153.09079	7.5
156.09354	4.3
157.08617	6.9
157.10124	18.1
159.08073	2.5
161.09639	3.2
161.13246	5.2
165.12733	26.5
169.12213	16.9
171.11646	14.5
173.09561	2.8
173.13243	3.0
175.11160	36.0
181.10078	6.3
187.05989	40.0
189.12730	26.1
191.10547	2.5
191.14345	4.4
193.12218	42.3
193.13870	4.0
199.11189	18.6
205.07141	3.3
207.13728	19.6
209.15320	3.8
209.96271	2.6
211.13266	40.6
217.12212	72.3
217.15794	5.4
219.17545	2.2
227.75772	2.4
229.14227	14.6
235.13255	90.0
235.16948	5.8
236.13615	5.9
253.14322	56.4
280.41006	2.6
337.16382	4.3
361.16431	5.0
379.17526	7.4
397.18375	9.4
397.22839	4.0
415.19257	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	415.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
55.01858	4.7
55.05510	8.5
55.68139	1.8
57.03414	5.7
61.75269	1.4
65.53999	1.5
65.55540	1.8
67.05502	14.7
69.03419	27.3
69.07056	16.6
69.50869	9.0
69.51295	5.9
71.04987	12.4
74.17570	1.5
79.05483	25.5
81.03407	43.4
81.07040	43.1
83.04970	20.0
83.08584	4.5
85.02894	17.7
85.06519	7.3
87.04464	2.0
91.05470	19.0
93.07027	55.4
95.04953	14.2
95.08584	20.5
97.02859	7.9
97.06522	30.4
99.04446	22.6
105.07015	45.9
107.04942	8.1
107.08585	36.8
109.02859	32.4
109.03577	2.3
109.06506	20.9
109.10115	6.8
111.08069	17.9
113.05994	2.1
113.09725	1.7
115.05452	1.6
116.96188	1.9
117.06989	5.2
119.04875	1.8
119.08562	26.2
121.06483	42.7
121.10105	9.6
123.04382	5.0
123.08078	7.7
123.11699	9.8
125.05959	16.7
125.09613	1.8
127.03905	100.0
127.07509	8.8
129.06961	6.4
131.08537	7.5
133.06499	3.4
133.10118	17.6
135.04381	2.4
135.08043	21.6
135.11700	1.6
137.05963	5.2
137.09601	3.3
139.07521	14.9
141.05455	2.4
142.07755	3.8
143.07005	17.5
143.08591	8.2
145.04916	3.2
145.06462	2.6
145.10080	8.9
147.08022	6.0
147.11664	62.2
149.09630	2.6
149.13217	5.5
151.07521	3.0
151.11180	7.1
153.09071	5.2
157.08598	6.5
157.10089	15.1
159.08061	2.5
159.43222	2.0
161.05925	1.8
161.09599	3.9
161.13237	6.6
163.11084	2.4
165.08917	1.7
165.12749	24.1
167.07022	2.8
169.12231	9.9
171.11661	15.8
173.09612	4.9
173.13264	2.6
175.07446	2.1
175.11159	32.1
181.04970	2.2
181.08542	3.3
181.10066	1.9
183.13794	2.8
187.05978	22.0
189.12735	20.6
191.10614	2.4
191.14345	2.1
193.12210	34.6
195.06570	2.4
199.11177	19.0
205.06960	2.2
205.12326	1.6
207.13759	18.5
209.15369	2.6
211.13255	25.3
217.08786	2.7
217.12209	63.0
218.12601	2.7
229.14319	7.1
235.13263	66.3
235.16925	3.9
236.13495	1.8
253.14301	36.0
337.16391	1.8
343.15411	2.1
361.16290	3.7
371.14694	4.5
379.17377	7.3
397.18021	6.6
415.13904	2.1
415.23010	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	415.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	13.0
55.01857	7.9
55.05504	12.6
57.03413	6.2
57.07064	2.2
61.02893	2.1
66.19039	1.9
67.05503	16.4
68.29373	2.0
69.03425	37.2
69.06775	2.0
69.07068	21.9
71.04990	17.0
71.38942	4.4
79.05486	28.8
81.03410	55.6
81.04131	2.1
81.07047	49.1
83.04971	33.4
83.08602	4.7
85.02891	25.2
85.06515	6.7
91.05470	21.4
93.07032	68.1
95.04948	17.3
95.08593	23.8
97.02889	13.7
97.06528	40.7
99.04446	27.0
105.07024	53.3
107.04942	8.1
107.08580	45.0
109.02871	39.2
109.06508	31.5
109.10152	9.0
111.04430	3.2
111.08070	27.6
113.05997	4.3
115.07541	2.7
117.06982	3.4
119.04950	3.2
119.08573	29.7
121.06496	51.5
121.10092	10.2
123.04444	3.8
123.08061	9.5
123.11670	12.4
125.05962	19.1
127.03902	100.0
127.07516	9.0
129.06963	5.1
131.08549	7.5
133.06482	5.8
133.10121	21.1
135.04404	4.3
135.08044	24.3
137.05966	9.6
137.09578	3.5
137.13266	2.9
139.07520	16.3
142.07788	4.2
143.06998	15.8
143.08559	9.8
145.04880	4.8
145.06476	3.0
145.10112	8.1
147.08044	6.8
147.11674	69.0
148.11920	2.4
149.09608	4.8
149.13263	5.8
151.07503	3.4
151.11160	7.8
153.09111	4.6
156.09331	4.3
157.08623	5.7
157.10097	16.4
161.09630	2.5
161.13216	9.5
165.12746	31.9
166.76511	2.0
169.12247	21.2
171.11667	15.5
173.09564	6.2
175.07590	2.7
175.11166	36.1
176.11514	3.2
181.10181	3.4
183.33102	3.0
187.05997	40.6
189.12732	30.9
193.12212	36.2
199.11169	19.8
205.07039	4.8
207.13823	23.8
209.15314	4.3
211.13272	41.4
214.40831	2.2
217.12207	82.1
229.14296	8.9
235.13271	79.4
235.16881	4.6
236.13437	2.6
253.11639	2.6
253.14302	50.0
271.15378	5.0
279.12311	2.2
337.16473	2.7
355.17419	2.2
361.16327	5.5
379.17651	6.8
397.18460	11.5
415.19302	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	415.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.8
54.31470	1.5
55.01854	6.4
55.05494	8.1
57.03416	4.6
65.03937	2.8
67.05502	11.4
67.05807	2.1
69.03418	29.3
69.07056	16.6
70.89188	4.9
71.04986	14.9
73.02867	2.4
79.05058	1.9
79.05483	23.4
79.08450	1.7
81.03406	45.0
81.07043	34.1
83.04977	23.1
83.08584	3.7
85.02897	25.0
85.06512	5.9
89.04724	1.5
89.29620	1.8
91.04953	1.9
91.05463	18.4
93.07026	57.3
95.04961	17.2
95.08589	24.7
97.02871	11.6
97.05901	2.1
97.06521	32.0
99.04437	26.7
101.01555	1.8
101.06023	1.9
103.05457	2.8
105.06380	2.9
105.07021	40.3
105.96677	1.9
107.04921	6.4
107.08576	42.4
109.02863	32.9
109.06509	23.6
109.10145	9.3
111.04460	2.5
111.08064	22.5
113.05965	3.1
115.05421	1.8
117.06991	5.5
119.04945	2.2
119.08556	27.2
121.06490	47.4
121.10149	8.7
121.21124	1.9
123.08047	7.9
123.11680	10.8
125.05986	17.6
127.03896	100.0
127.07509	10.2
129.06975	4.7
131.04903	5.8
131.08566	8.7
133.06479	3.2
133.10097	20.7
135.04424	3.5
135.08040	20.6
135.11632	2.0
137.05940	6.3
139.07516	17.1
141.05428	2.4
142.07739	5.0
143.07031	12.7
143.08548	8.8
145.04933	4.4
145.10101	10.3
146.86795	1.5
147.08012	5.5
147.11665	59.5
149.05988	1.9
149.09589	3.1
149.13261	4.6
151.07558	2.9
151.11136	6.7
153.01817	1.7
153.09090	4.5
155.08531	2.0
156.09323	3.7
157.08606	6.8
157.10100	20.0
159.07951	1.7
160.08780	1.7
161.05994	2.1
161.09569	4.7
161.13226	11.1
163.11168	1.8
165.12747	23.6
167.07068	1.9
169.12224	11.5
171.11641	14.1
173.09593	4.5
175.11163	38.0
181.04762	2.1
181.08557	1.9
181.10147	3.2
187.06003	23.8
189.12708	23.5
189.16383	5.1
191.14258	2.6
193.12202	34.1
195.06380	1.9
199.11177	21.6
207.13773	18.1
209.15263	2.6
211.13272	24.8
217.12210	62.0
217.15590	2.5
229.14322	6.1
231.13533	1.8
235.13269	72.1
235.16756	13.8
253.14296	38.5
253.17905	4.1
337.16519	2.5
343.15329	2.3
361.16272	3.5
379.17288	7.3
397.18350	6.5
415.23254	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	415.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.05492	3.2
56.96569	1.8
57.03418	4.0
59.04986	4.0
61.02918	2.8
67.05490	1.5
69.03420	10.6
70.02898	0.8
71.04984	18.2
71.61553	1.3
73.02925	1.1
73.06537	2.6
81.03408	5.1
83.04980	7.9
85.02894	18.4
85.06525	1.7
86.09683	2.4
87.04451	3.4
89.06020	100.0
97.02876	17.4
98.97569	3.5
99.04446	6.8
100.02045	0.8
101.06009	19.5
105.05499	3.0
109.02859	8.1
110.07166	1.4
111.04409	1.2
113.05981	2.6
113.85630	0.9
115.03953	0.9
116.98610	2.7
117.05464	2.6
119.07077	4.5
122.07196	1.2
125.03470	1.4
127.03900	14.6
129.05473	1.3
131.00224	1.2
131.07025	2.5
134.99614	1.4
135.04388	1.1
135.06516	23.4
137.05988	1.0
137.08081	3.1
145.04951	9.6
146.99677	1.2
147.04419	1.1
149.08090	1.5
152.04535	1.4
153.01805	2.6
161.01193	1.2
163.03830	1.0
163.06029	1.9
165.05551	0.9
167.07001	1.2
178.04912	1.6
179.88847	0.9
197.08055	1.0
199.55338	0.9
212.06146	1.8
214.45367	0.9
215.09119	1.8
217.07027	1.3
219.01811	2.2
227.06772	9.4
227.08934	1.3
233.10071	1.0
234.98837	0.9
237.02829	3.8
239.71956	0.9
243.08665	1.6
245.10199	1.4
261.09656	3.4
263.11179	1.0
279.10760	2.6
281.12274	1.3
284.12369	2.1
286.17572	1.3
298.80249	0.9
307.07178	1.1
317.12216	1.4
328.13535	1.0
335.13339	2.5
341.73721	0.9
344.97778	1.0
355.03024	1.1
373.04688	1.8
380.69675	1.0
415.09637	2.0
415.22162	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82655	2.9
69.03410	9.1
69.12617	4.3
71.04971	6.9
71.61271	4.5
74.36057	3.3
81.03409	5.3
83.40818	3.3
85.02901	17.4
89.06002	6.9
97.02868	7.5
115.58310	3.0
119.01868	3.5
127.03847	5.5
145.04927	5.7
152.05702	4.5
152.98949	3.8
153.01822	19.1
161.02924	4.3
206.38800	3.8
210.88835	3.2
244.06770	8.0
245.05109	5.0
251.95903	3.6
373.06021	4.9
415.10037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1381
Annotation	(+)-Epiexcelsin
Peak:m/z	Relative Intensity
51.59995	0.6
53.03933	3.5
53.47621	0.6
55.01862	1.0
55.05487	2.0
57.03427	1.0
61.02899	0.7
64.27029	0.6
65.03941	4.1
67.05494	4.9
69.03412	5.4
69.07047	3.8
70.06585	0.9
71.04962	2.7
71.62237	0.8
71.62648	0.8
74.35332	0.7
78.04675	1.5
79.05483	25.2
81.03400	6.6
81.07044	10.9
82.04178	1.9
83.04975	3.7
83.08610	1.2
85.02902	6.9
85.06506	1.6
85.70479	0.7
91.05463	6.7
93.03388	1.0
93.06533	0.9
93.07040	9.9
95.04970	8.1
95.08591	4.6
96.05727	0.9
97.02880	2.4
97.06513	5.5
99.04424	3.7
101.05989	0.8
105.04496	0.8
105.07018	7.8
106.04195	0.9
107.04943	32.2
107.08578	6.8
108.02045	0.7
109.02876	5.4
109.06504	5.0
109.10178	3.2
110.03632	2.6
111.04407	1.1
111.08054	3.9
113.05988	0.7
115.05447	3.0
117.06995	4.2
119.04945	0.9
119.08578	7.3
121.06497	8.4
121.10120	2.6
122.03635	2.5
123.04404	3.6
123.08045	1.2
123.11697	1.6
124.05203	9.3
125.05986	6.2
125.09573	1.0
127.03907	10.9
127.07525	2.4
128.06229	0.9
129.06996	1.2
131.04906	0.9
131.08536	1.4
132.05652	0.8
133.06438	1.4
133.10133	3.5
135.04385	0.8
135.08066	3.3
135.11681	1.1
137.05931	3.7
137.09515	0.7
138.03123	1.1
139.07515	5.1
142.02560	1.3
143.07033	1.6
143.08524	1.0
145.04942	0.8
145.05283	0.8
145.06444	6.2
145.10089	1.9
147.04291	1.3
147.08052	3.3
147.11670	10.7
149.13203	1.5
151.03906	1.7
152.04630	3.7
153.05461	1.6
157.10132	2.2
159.07977	0.9
161.05963	1.8
161.13240	1.7
163.03862	0.8
165.12741	4.9
167.03345	1.3
167.07022	37.1
169.12190	1.9
171.06479	2.6
171.11668	2.8
172.05099	0.9
173.05963	2.6
173.09579	1.3
175.07468	4.1
175.11147	4.4
177.09135	0.8
179.07004	0.7
180.04079	1.1
181.04932	49.7
182.08185	0.8
187.03915	0.7
187.05998	4.1
189.12717	2.8
193.12148	5.4
195.06508	100.0
196.06866	1.8
199.11168	2.0
201.05464	4.6
203.06969	1.4
205.08623	4.0
207.06415	1.1
207.13831	3.3
211.06017	0.8
211.13234	4.6
217.08586	1.0
217.12198	8.8
229.14349	2.1
233.05838	1.2
233.08044	10.2
235.07506	1.3
235.09642	10.1
235.13242	12.1
235.16953	1.8
247.07536	1.3
253.14273	7.8
253.17050	0.7
253.17941	0.8
262.06412	1.1
263.06979	1.3
265.22501	0.7
273.11115	1.5
277.08475	0.9
279.06689	1.1
293.08020	0.8
309.07498	0.7
309.11014	1.3
315.08813	1.0
323.08911	1.0
337.10593	1.5
339.08676	1.0
351.08475	1.2
355.11777	2.0
365.10214	0.8
366.11063	0.8
369.12982	0.9
379.17477	0.8
383.11157	2.3
385.12448	0.9
387.14334	16.5
397.12735	3.0
397.17368	1.5
415.13840	38.7
416.14221	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	1.6
56.96563	5.1
57.03433	3.3
59.05474	1.4
61.02909	4.5
69.03421	12.5
69.74768	9.1
70.06586	2.3
71.01334	1.4
71.05000	4.0
73.02896	3.6
77.00895	1.8
81.03416	7.2
82.02966	1.7
83.04983	2.2
85.02900	24.2
86.09700	12.5
89.06008	5.1
95.04951	1.6
97.02881	17.2
98.20739	2.9
98.97573	9.2
99.04470	2.6
101.00840	6.9
101.06017	1.7
105.00368	2.5
107.04943	2.5
109.02872	5.8
110.06039	1.8
110.97542	1.6
115.02409	2.1
116.98625	6.3
119.01904	36.0
124.03895	1.4
125.03442	1.9
127.02412	3.5
127.03922	7.6
128.98630	2.6
130.84355	1.4
131.01888	18.7
132.10208	4.1
133.01735	1.7
133.03447	4.2
134.05954	2.1
134.99654	4.3
136.07643	1.3
137.02911	9.9
139.02541	1.5
142.03490	1.8
142.06123	1.7
143.01888	6.6
145.03448	23.8
145.04919	4.2
146.99617	2.1
147.01358	2.4
147.04327	1.5
149.01131	1.6
149.02963	4.4
150.05469	4.3
152.04530	2.4
152.05786	1.6
152.07097	2.9
153.00574	1.9
153.01811	38.5
153.02785	1.4
155.01871	11.2
157.03435	12.7
161.01613	2.7
161.02954	23.5
163.02673	2.7
163.04517	4.3
164.06932	1.6
167.01903	3.5
167.07011	1.9
169.03389	3.2
173.02928	20.3
175.04491	6.2
177.00754	2.2
179.05640	1.7
181.03484	2.8
183.04910	1.9
185.02931	29.7
187.04506	4.7
189.02443	1.7
189.04121	1.5
191.02216	1.8
191.03966	3.3
192.99858	2.3
193.03401	1.7
196.04567	2.7
196.56064	1.4
197.02921	12.3
197.06628	1.9
199.02475	1.3
199.04488	2.1
203.04030	14.0
207.01726	2.2
207.05058	1.7
209.02831	3.3
211.00864	46.9
211.02402	2.0
211.04323	1.8
211.06326	2.6
214.03281	1.8
215.03961	3.0
219.01884	4.3
221.03152	3.3
221.05075	9.9
223.04576	3.0
225.05939	1.6
227.04018	6.2
229.01921	24.5
235.00903	13.4
235.04643	3.1
235.06746	1.9
237.02716	6.0
237.06235	1.6
239.04079	5.0
241.02007	2.1
244.06616	2.6
245.05051	50.5
245.07449	2.8
246.05392	3.0
247.00807	2.4
247.02914	21.3
247.06892	1.9
251.04106	3.0
253.01906	33.8
253.07820	5.3
253.11588	1.5
261.02652	1.8
263.03976	2.5
263.06186	18.7
265.01907	6.0
265.05048	1.9
267.03497	3.9
267.07193	1.6
271.02887	20.1
274.97540	2.4
276.03662	2.2
277.01740	3.5
279.03519	3.6
283.06653	2.4
284.12418	2.3
285.04529	4.6
286.07745	2.4
289.04199	3.4
292.98541	1.9
295.02893	11.9
295.08551	2.5
297.04581	5.7
299.06134	1.6
307.02994	13.6
307.08621	1.7
309.04492	1.5
311.06226	9.5
313.04062	20.0
315.05389	1.8
319.02975	1.8
325.04111	7.4
325.07593	1.8
336.05832	1.7
337.03818	8.4
351.17902	1.7
355.05045	100.0
356.05270	5.4
362.15070	1.5
373.06104	69.3
374.06152	2.9
380.15384	2.3
396.07657	8.2
415.07141	5.2
415.12717	2.9
433.11108	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24750	0.5
53.03936	0.8
55.01868	0.8
55.05496	0.6
57.03423	1.4
57.07054	0.5
59.01356	0.6
59.04992	56.6
61.02911	0.6
61.23279	0.5
61.28165	0.4
62.06069	0.8
69.03420	6.1
70.06580	2.5
71.04983	2.8
71.61832	0.8
72.08112	0.6
72.93787	0.5
73.02901	1.2
73.06545	0.6
79.05447	1.0
80.05016	0.6
81.03410	4.2
81.07034	1.5
83.04930	0.8
85.02894	11.0
86.09673	0.6
87.04438	2.8
89.06009	3.6
91.05460	4.1
92.19406	0.6
93.07030	1.3
94.06552	0.9
95.04921	0.7
96.04476	1.0
97.02877	7.1
97.06506	0.7
98.97607	0.6
99.04433	1.8
101.06001	17.3
105.07009	1.5
107.07047	0.7
107.08598	1.2
109.02852	3.9
109.10166	1.1
112.07614	2.7
115.03915	8.5
117.05501	1.3
119.08549	1.3
121.10107	1.2
122.06007	1.4
123.11665	4.1
124.07568	0.8
125.02303	1.0
125.06027	0.6
127.03904	5.7
129.05461	100.0
130.05794	1.2
131.08591	0.6
135.06511	1.2
140.07037	4.5
145.04947	3.4
145.10083	0.6
147.06499	22.1
147.11668	1.5
149.09573	1.3
152.96732	0.5
154.97855	0.6
156.09314	0.5
158.08080	3.1
158.43018	0.5
161.05865	0.5
171.11678	1.0
172.98880	1.0
189.07486	0.6
189.12726	1.6
200.35156	0.5
207.13753	2.8
216.13811	1.4
217.10759	0.7
225.14671	0.6
232.06531	0.6
234.14896	1.9
239.03580	1.1
252.15999	2.1
259.07861	1.1
259.33844	0.6
264.08978	1.0
269.06656	0.7
273.09695	6.9
279.06500	0.5
282.10257	1.4
291.10724	12.2
297.07822	1.1
327.07562	0.6
347.13358	0.7
361.14920	4.3
379.16071	1.8
414.16922	1.0
415.14703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3406
Annotation	Tylopiol A
Peak:m/z	Relative Intensity
55.05498	4.7
57.07072	6.7
67.05498	15.8
69.07064	9.2
71.04989	1.3
71.08620	1.8
71.63229	1.0
79.05477	5.6
81.03410	1.0
81.07048	70.0
82.07395	1.0
83.08592	4.2
85.06564	0.8
85.10183	0.9
89.73569	0.7
91.05469	2.4
93.07039	11.0
95.08594	100.0
96.08900	1.3
97.06543	1.2
97.10168	3.6
102.18212	0.7
105.07011	5.0
107.08579	9.9
109.06506	1.1
109.10143	25.3
111.11725	1.5
111.23241	0.8
117.07036	1.1
119.08564	5.7
120.08908	0.9
121.10125	8.2
123.11694	22.0
124.12067	1.0
131.08553	3.1
133.10092	4.9
135.11670	6.4
137.13239	77.4
138.13574	2.1
143.08472	1.1
145.10115	4.1
147.11647	4.6
149.13271	6.8
151.07536	2.8
151.14818	7.4
157.10144	2.4
159.11703	2.9
161.13228	4.2
163.14813	2.9
165.09109	1.0
171.11662	1.5
171.14153	1.0
173.13286	2.8
175.11192	1.6
175.14763	2.0
177.16368	1.8
179.10674	0.9
179.17961	3.1
185.13194	1.0
187.11230	1.0
187.14845	2.9
189.12773	1.1
189.16382	2.0
191.10652	0.9
191.17950	2.2
193.12263	1.8
193.19481	5.2
199.14795	1.1
201.16423	1.1
203.18039	1.1
205.19540	2.5
207.13847	1.5
215.18030	1.1
217.15948	1.3
217.19492	6.0
219.13792	1.9
219.21056	1.6
227.17946	4.7
229.19466	1.4
233.15459	2.7
243.17191	0.9
243.21024	1.2
244.86862	0.8
245.18991	10.9
247.17082	1.2
261.18481	4.0
263.20065	3.0
271.20657	1.2
273.25629	0.9
275.20117	2.9
395.33252	3.0
413.21652	2.4
413.29163	1.8
413.34204	29.3
414.34488	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42394	3.0
53.03939	3.5
55.01854	5.5
55.05501	25.6
56.28048	3.1
57.03430	3.7
57.07058	12.0
57.86896	3.2
59.04995	3.5
67.05496	26.2
69.07059	29.6
69.47007	2.9
70.39947	2.8
71.04978	5.4
71.14459	6.7
71.14825	4.0
79.05483	24.4
80.12423	2.9
81.03424	3.6
81.07038	51.3
83.04961	9.9
83.08598	12.4
85.02908	3.3
85.06532	17.3
90.91512	3.0
91.05452	26.0
92.42144	2.9
93.07037	52.0
93.37757	3.0
95.08593	79.5
95.92615	3.2
97.06538	6.5
97.10136	3.0
99.04424	13.0
99.08066	5.9
101.05988	9.2
105.07024	43.3
107.08572	91.2
109.06490	7.8
109.10139	35.5
111.08075	9.1
113.05920	4.0
117.06984	8.2
119.08569	88.4
120.08891	3.8
121.06525	6.1
121.09298	5.2
121.10124	68.7
123.08067	10.9
123.11711	16.3
125.09572	4.5
127.07502	3.9
129.06996	6.9
130.07843	3.6
131.08575	19.8
133.06525	4.2
133.10103	66.0
135.08037	21.9
135.11671	53.7
137.09508	3.7
137.13234	4.2
143.08528	8.0
145.10120	41.0
147.08012	6.9
147.11673	69.2
149.09605	14.8
149.13251	18.5
151.07585	3.5
151.11162	4.3
157.10097	18.2
159.11668	39.5
161.09602	23.1
161.13242	28.6
163.11176	33.8
163.14821	9.2
164.15228	3.4
165.12669	5.2
167.10675	6.2
169.10078	8.6
170.11002	4.5
171.11688	18.4
172.12270	3.3
173.13217	28.2
175.11162	35.7
175.14799	14.3
177.12752	33.5
177.16364	8.6
179.14174	4.2
181.12260	8.7
183.11707	7.0
185.13214	13.1
187.14777	26.2
189.12738	17.7
189.16367	20.2
191.14322	12.0
193.12221	10.8
193.15968	3.5
195.13747	30.4
197.13147	4.3
199.14816	13.1
201.16368	10.7
203.14261	25.3
203.18031	3.9
205.15840	46.5
207.13783	35.8
209.13301	4.0
209.15356	7.8
213.16359	10.2
215.14305	4.2
215.17973	7.4
217.15782	10.5
219.17422	11.5
225.16399	5.1
229.15880	4.8
231.17415	9.9
235.16902	4.3
239.18013	5.5
243.17233	3.8
249.18463	12.5
253.19460	5.3
261.18445	5.8
285.22067	4.1
356.09686	3.3
359.27411	4.2
367.29651	3.8
377.28363	15.1
395.29361	76.9
396.29880	7.7
413.21506	6.8
413.30298	100.0
414.30652	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	413.3042
Annotation	Topsentisterol A3
Peak:m/z	Relative Intensity
53.03937	1.0
55.01854	1.0
55.05502	10.1
57.03413	1.3
57.07047	2.1
59.04970	1.1
63.30891	0.6
65.03918	0.7
67.05495	10.2
69.03404	1.2
69.07054	9.6
71.04974	1.4
79.05481	6.7
81.03391	1.2
81.07042	16.6
83.04967	2.9
83.08591	3.3
85.06533	3.0
85.76253	0.7
91.05454	7.9
93.07026	17.4
93.07613	1.1
95.04945	1.2
95.08590	33.8
95.43172	0.8
97.06489	2.2
97.10139	2.0
99.04448	5.1
101.05986	4.5
105.07014	16.9
107.08577	27.4
109.06488	3.0
109.10134	14.7
110.10473	0.8
111.08056	2.3
111.11625	0.7
117.07024	4.2
119.08561	27.9
121.06509	1.9
121.10132	19.6
123.08046	3.0
123.11685	6.1
125.09596	1.7
127.07525	2.6
127.11185	0.7
129.06976	1.9
131.08549	12.1
133.10104	22.6
135.08046	2.7
135.11673	14.2
137.09589	1.9
137.13229	1.7
139.07491	0.8
141.09047	0.8
142.07741	1.4
143.08565	6.1
144.09274	1.0
145.10098	20.5
147.08029	1.7
147.11659	15.4
149.09579	1.8
149.13226	9.1
151.11148	1.3
151.14877	1.1
155.08604	1.7
156.09306	2.0
157.10094	10.6
158.10849	1.3
159.11653	20.4
161.09621	2.2
161.13225	10.1
163.11180	3.1
163.14806	4.4
165.12738	2.0
167.08496	0.9
169.10179	4.4
170.10858	2.0
171.11664	10.2
172.12422	1.2
173.09619	1.2
173.13243	11.8
174.13896	0.7
175.11182	3.0
175.14799	8.9
177.12721	3.4
177.16386	1.8
179.10663	1.2
179.14302	1.2
181.10153	2.0
181.12141	1.3
182.10863	1.3
183.11673	4.8
184.12311	1.2
185.13237	7.3
186.13965	0.8
187.11284	1.3
187.14783	15.4
189.12701	3.2
189.16376	12.0
191.10695	1.0
191.14330	2.1
191.17903	1.7
193.12248	2.2
195.11708	2.7
195.13800	2.2
196.12405	1.1
197.13229	5.8
198.14052	1.2
199.14778	10.8
199.16541	0.9
200.15483	1.0
201.12663	0.9
201.16344	25.7
202.16724	0.8
203.14342	1.6
203.17929	6.4
205.12279	0.9
207.11772	1.0
207.13762	5.4
209.13272	2.9
209.15332	1.7
210.13959	0.9
211.14828	6.1
213.12727	1.1
213.16405	4.4
215.14343	1.2
215.17934	4.5
217.15822	2.2
217.19472	1.5
219.13765	2.9
219.17422	1.9
221.15338	2.4
223.14803	2.4
224.15479	0.8
225.16412	4.5
226.17009	0.9
227.17943	2.3
229.15855	1.1
229.19568	1.7
233.15370	2.8
235.16905	1.1
237.16400	2.3
239.17836	4.3
240.18645	1.3
241.15863	1.6
241.19456	1.2
245.15373	1.4
247.16879	2.9
251.17982	2.4
253.19490	3.4
255.17365	1.2
255.21147	2.0
257.15393	1.8
257.18918	0.8
259.16928	2.7
261.18558	1.0
265.19418	1.9
267.21024	3.1
268.21826	1.3
271.16934	1.6
273.18478	4.8
277.17874	1.3
279.21039	3.0
281.22552	2.2
285.18436	0.8
286.89935	0.7
287.19995	2.1
291.19568	2.6
294.23343	3.5
295.24130	1.7
299.20016	1.5
301.21616	1.0
303.19476	0.9
313.21674	0.7
317.21133	2.3
325.21497	1.7
329.21155	0.8
331.22635	0.9
332.15344	0.8
333.80502	0.8
339.23212	1.6
341.24750	1.1
343.22742	1.8
353.24411	1.1
357.24277	0.9
369.27887	1.2
371.12970	0.6
377.28403	3.0
380.27039	0.8
385.30981	1.1
395.29425	66.5
396.29767	3.8
401.25482	0.7
413.21478	2.4
413.30463	100.0
414.30780	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	413.3044
Annotation	Topsentisterol A3
Peak:m/z	Relative Intensity
53.03932	2.2
55.05499	16.1
57.03421	3.6
57.07054	2.5
58.69103	1.2
59.04981	2.1
60.72010	1.1
67.05165	1.5
67.05493	18.0
69.03426	3.1
69.07064	15.7
69.60524	8.5
69.60940	2.8
71.04988	3.4
77.67570	1.3
79.05487	12.2
81.03403	3.4
81.07046	34.3
83.04970	5.6
83.08611	5.5
85.02900	2.3
85.06532	5.8
91.05460	11.7
93.06458	2.1
93.07031	32.0
95.04955	3.1
95.08589	46.8
97.02898	2.4
97.06503	3.8
97.10133	1.7
98.21370	2.8
99.04424	8.8
101.06001	7.9
105.07016	29.4
107.08579	49.3
108.08852	1.4
109.02773	1.8
109.06500	4.9
109.10143	24.3
111.08072	3.2
117.07011	5.0
119.08566	48.8
120.08928	1.3
121.06564	1.9
121.10128	34.3
122.10505	1.7
123.08064	4.9
123.11692	8.8
125.05969	1.4
125.09628	2.7
127.07497	2.4
129.06978	3.8
131.08549	21.0
133.10112	44.2
135.08057	5.5
135.11670	25.4
137.09576	4.1
137.13239	2.6
142.07816	2.8
143.08545	9.5
144.09247	1.6
145.10101	30.0
147.08018	2.6
147.11670	28.9
149.09601	5.3
149.13240	22.6
151.11191	1.9
153.09152	1.6
153.40604	1.2
155.08543	3.7
156.09319	4.2
157.10104	15.8
158.10915	4.0
159.08046	2.7
159.11670	30.2
161.09601	5.7
161.13235	22.9
163.11169	7.0
163.14832	4.4
165.12665	1.5
169.10104	6.4
170.10915	2.1
171.11671	16.7
172.12216	1.7
173.09654	1.5
173.11755	2.3
173.13232	26.4
174.13725	1.7
175.11179	5.7
175.14824	19.9
176.15077	1.5
177.09177	1.8
177.12730	8.5
177.16362	8.8
179.10684	2.8
179.14304	2.8
181.10095	1.4
181.12213	3.3
183.11659	8.8
184.12437	2.8
185.13202	11.7
186.13647	1.4
187.11240	1.9
187.14775	19.1
189.12772	6.4
189.16345	24.4
191.10701	2.3
191.14291	6.7
193.12265	3.7
195.11847	2.8
195.13795	9.1
197.13193	10.1
199.14815	20.8
201.12735	1.7
201.16365	14.0
203.14252	6.4
203.17917	21.6
205.12233	2.0
205.15831	8.5
207.13699	10.8
207.17340	3.2
209.13222	3.5
209.15349	5.2
211.14804	7.6
213.12842	1.5
213.16338	13.4
215.14339	1.9
215.17967	4.5
217.15872	8.3
219.13789	3.7
219.17470	3.7
221.15347	1.9
221.19138	2.1
223.14806	4.1
225.16388	5.8
227.18011	3.7
229.15875	1.7
229.19620	1.6
231.17461	5.6
233.15457	3.6
235.16945	3.2
237.16437	3.6
239.17955	4.8
240.18697	2.1
245.15300	2.1
247.16978	6.7
253.19633	2.9
257.15408	3.2
259.16904	4.8
261.18500	2.4
265.19614	1.8
267.21024	1.6
271.16879	1.4
273.18604	2.9
273.22171	1.4
277.14322	1.9
279.21060	8.2
280.21692	1.4
285.22064	1.4
287.19974	1.9
294.23462	7.2
295.24039	2.3
299.20242	1.8
311.19763	1.5
313.21521	2.3
325.21674	3.6
327.23059	1.7
339.23062	2.0
353.24741	3.0
367.29886	2.7
377.24417	1.5
377.28415	7.2
385.31137	2.0
395.29407	97.9
396.29926	5.6
413.21609	7.7
413.30530	100.0
414.30667	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	413.3042
Annotation	Topsentisterol A3
Peak:m/z	Relative Intensity
53.03930	2.2
54.18376	1.2
55.01853	1.4
55.05493	7.1
57.03432	1.9
59.04984	1.6
67.05485	7.6
69.03402	2.8
69.07051	7.7
69.35780	13.5
71.04977	1.9
79.05470	6.8
81.03412	2.1
81.07047	24.2
83.04957	2.4
83.08594	4.3
85.06538	5.6
91.05463	5.6
93.07029	15.8
95.04977	1.9
95.08592	25.9
97.06516	1.7
97.10116	1.6
99.04443	4.4
101.05998	4.4
105.07016	12.3
107.08569	21.3
109.06508	2.9
109.10141	10.7
111.08059	2.5
112.55557	1.1
117.07015	3.6
119.08585	21.5
121.06505	1.9
121.10126	14.4
123.08074	2.1
123.11671	6.4
125.09557	1.4
127.07527	4.5
129.06975	1.6
131.08549	9.0
133.10107	25.0
135.08029	2.5
135.11661	9.6
137.09615	1.9
137.13246	1.7
139.07623	1.6
142.07773	2.8
143.08549	5.6
144.09325	1.6
145.10106	15.7
147.11667	12.2
149.09705	1.2
149.13225	5.4
155.08578	1.4
156.09261	1.5
157.10077	10.8
158.10896	2.6
159.11674	23.1
161.13231	11.8
163.11154	3.5
163.14828	5.8
169.10129	3.0
170.10811	1.6
171.11684	10.6
173.13232	22.0
175.11224	1.6
175.14784	11.1
177.12773	2.4
177.16388	2.4
179.10617	1.3
181.12253	3.0
183.11684	5.0
184.12325	1.2
185.13257	9.8
187.14775	13.2
189.12747	1.7
189.16397	5.9
191.14276	2.9
195.13811	1.9
197.13228	5.8
199.14801	22.3
201.16341	41.6
202.16690	1.9
203.14226	2.2
205.15877	5.3
207.13821	4.2
209.13345	2.2
209.15364	4.2
211.14809	7.0
213.16422	5.3
215.17963	3.3
217.15810	2.2
219.13724	1.9
221.15378	5.9
225.16344	5.5
227.17982	4.7
233.15349	4.0
235.16858	1.9
237.16486	2.2
239.17929	3.6
241.19545	2.4
251.16316	9.2
253.19600	2.5
255.17455	1.4
267.20877	2.0
273.18423	3.9
281.22733	2.8
285.18539	1.4
291.19629	3.8
294.23547	2.0
295.24329	1.8
299.19806	2.0
301.21567	1.4
317.21167	2.0
325.21646	2.4
339.23178	1.6
343.22681	2.1
359.27274	1.9
367.30246	1.4
377.28473	2.2
395.29410	100.0
396.29517	7.9
413.21527	2.5
413.30481	59.0
414.30850	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	413.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	4.4
55.01855	6.3
55.05507	34.8
57.03431	18.0
57.07066	3.0
59.04985	8.9
59.95400	2.1
61.02908	6.5
61.28656	2.1
67.05502	13.8
67.05804	3.2
69.03424	20.4
69.06720	3.2
69.07063	45.5
69.44415	15.6
70.06563	2.7
71.04993	16.1
73.06549	41.4
73.42252	2.2
79.05482	82.4
81.03419	11.6
81.07025	3.5
83.04980	14.3
83.08592	6.0
85.02892	49.8
85.06530	5.1
89.06014	6.7
95.04977	5.8
97.02277	3.1
97.02879	35.5
97.06521	53.1
97.50933	2.1
98.20711	4.7
98.98476	2.5
99.04432	8.1
99.74001	1.9
101.06005	84.8
101.06673	4.0
101.09669	2.9
103.03868	2.9
105.06976	2.7
109.02863	13.5
109.79681	2.0
111.04402	5.7
115.03908	4.0
115.06787	2.7
115.07549	41.2
116.67722	2.0
117.05482	14.7
117.09093	3.0
119.07035	24.2
119.08541	2.8
119.10645	4.0
121.02890	3.4
127.03909	33.4
129.05466	9.5
131.07019	4.7
133.04897	4.3
133.07626	3.8
133.08586	55.3
136.06131	4.4
137.05986	2.8
145.04929	24.8
145.73000	1.9
147.06569	2.0
151.09642	100.0
153.01813	4.6
163.05974	5.3
163.07426	2.0
185.60762	2.3
227.09232	2.4
236.03070	2.2
245.10172	6.5
263.11298	15.7
279.56467	2.4
413.19220	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	412.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.2
55.68465	0.8
57.07068	36.7
67.05496	6.9
68.61192	0.9
69.03412	1.3
69.07063	8.0
69.47578	5.5
69.47981	2.4
69.90137	1.0
71.04982	1.8
71.08622	48.1
73.06538	5.8
79.05499	2.3
81.03399	2.5
81.07046	7.2
83.04927	1.1
83.08615	2.0
85.02890	1.7
85.06527	1.3
87.04457	3.0
89.06019	100.0
90.06352	1.2
91.05466	2.6
93.07046	5.2
95.04942	1.4
95.08598	6.2
97.02859	1.0
97.06481	1.1
97.10164	2.2
99.04424	1.4
105.07020	5.2
107.07058	3.8
107.08560	7.8
107.09045	0.7
109.10123	5.1
111.11743	1.2
113.13277	4.3
117.09107	3.0
119.08557	5.8
121.10118	4.7
123.08009	1.4
123.11713	1.7
130.08626	4.3
131.08549	2.9
133.08586	46.8
133.10060	5.5
135.11671	3.3
140.58575	1.1
143.08531	1.1
145.10126	4.1
147.11679	3.0
149.13237	2.9
156.09274	1.0
157.10112	2.2
157.15836	6.1
159.11726	4.7
161.09538	1.4
161.11620	1.0
161.13225	2.3
163.11185	1.8
163.14882	2.1
171.11607	2.0
173.13263	2.8
175.11069	1.0
175.14787	2.2
177.11201	20.4
177.12598	1.1
183.11656	1.0
185.13261	1.1
187.14842	2.4
189.12784	1.1
189.16364	2.1
195.12105	1.5
198.18517	1.6
199.14818	1.3
201.16537	1.1
201.18468	14.8
201.34053	1.0
211.14726	1.7
215.18034	1.0
217.15877	1.0
221.13640	2.1
232.33319	0.9
239.14874	1.9
245.21071	6.2
265.16550	1.2
283.17523	14.5
307.24844	1.6
333.00046	0.9
351.27368	2.1
385.31323	1.1
394.27713	1.1
395.29932	47.3
396.30334	2.0
412.28796	3.4
412.33414	2.1
413.21460	2.2
413.25952	1.2
413.30688	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	412.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14699	2.6
53.03929	3.8
55.01857	3.9
55.05495	7.7
57.03424	23.8
57.07048	4.0
61.02908	12.1
67.05491	12.6
67.48004	2.9
68.74829	3.0
69.03421	37.8
69.07051	14.1
69.68746	23.1
70.06578	8.6
71.01360	4.5
71.04977	10.0
73.02898	47.9
78.91265	2.9
79.05485	11.1
81.03393	14.2
81.07031	19.5
83.04987	6.1
83.08603	6.8
85.02891	100.0
85.06006	3.7
85.06526	76.5
86.09695	9.0
91.03960	5.2
91.05457	5.6
93.07034	25.2
95.04944	11.7
95.08584	11.5
97.02881	56.9
97.06506	12.0
98.20828	6.0
99.04446	14.5
101.06013	5.5
105.03387	8.1
105.07021	12.9
107.04922	3.5
107.08569	37.1
109.02891	14.8
109.06504	8.8
109.10181	7.7
111.04467	3.9
111.08064	5.3
112.88428	3.1
115.03925	29.9
115.07535	6.6
117.05495	5.6
117.07028	3.6
119.08582	9.9
121.06513	7.2
121.10117	35.7
123.08101	4.5
123.11713	4.5
124.07587	7.2
125.05952	6.4
127.03901	44.5
127.07514	11.6
128.04254	3.5
129.05473	4.8
131.08498	3.8
133.04945	11.6
135.08002	7.8
135.11676	13.5
136.08511	3.2
137.06021	4.4
139.07523	4.1
139.11150	5.2
145.04935	56.0
145.08572	32.8
145.10074	10.6
153.09056	11.6
157.08580	3.9
163.06009	31.6
163.11148	38.1
167.10670	8.4
169.08618	21.7
171.10150	4.7
172.89403	3.8
181.12216	49.0
182.12704	3.6
183.10120	4.6
184.07312	12.7
185.11719	8.0
191.10619	17.3
192.07849	3.3
209.11751	19.5
214.12216	4.6
215.12726	3.7
222.19040	3.1
227.12749	78.6
232.13263	3.6
232.16959	7.6
241.06998	6.2
245.13815	54.3
250.10754	10.1
250.17857	4.4
259.08112	7.0
263.14856	95.9
271.11594	6.6
289.12811	4.2
295.09854	4.9
359.16879	9.7
380.06091	3.2
394.14639	3.8
412.20032	21.5
413.22244	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	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
55.05496	4.8
57.03427	24.5
59.04995	5.9
60.04514	1.5
60.08133	1.3
61.02908	4.6
67.05492	2.0
69.03422	73.3
69.29850	14.0
69.96358	1.4
71.04980	5.7
73.02920	15.0
73.16387	1.3
75.04469	2.3
79.05503	1.5
81.03397	4.4
81.07031	3.7
83.04950	2.0
83.08607	5.8
85.02894	87.4
86.09705	2.9
87.04456	47.9
91.03934	3.3
93.07066	1.7
95.08588	1.6
97.02882	73.8
99.04426	3.3
99.08082	1.4
101.09653	1.8
104.10713	5.2
109.02882	7.0
111.08039	2.0
113.09612	1.5
113.22076	1.2
115.03916	85.3
116.04215	1.5
125.00027	1.6
125.05977	1.5
125.90663	1.4
127.03902	17.8
129.09064	1.8
133.04945	100.0
134.05229	1.2
139.07541	3.0
145.04938	36.6
150.07590	11.2
163.06015	12.1
167.10661	4.9
169.04987	1.8
169.08708	1.3
175.06006	1.3
177.92969	1.3
179.10594	2.0
184.07332	5.0
191.10660	1.5
197.11696	3.9
209.11713	2.6
215.12703	1.8
223.05922	2.6
227.12782	2.6
241.06985	2.6
245.13721	2.1
259.08102	4.1
263.14896	3.7
263.46118	1.1
277.09167	3.4
295.10257	4.2
305.78818	1.3
412.20483	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77077	1.0
53.03938	1.4
55.01866	6.9
57.03430	10.9
57.07059	1.9
59.04970	2.3
60.04519	1.3
61.02911	10.6
63.39398	0.9
67.05480	1.4
69.03075	1.2
69.03422	20.8
69.07052	1.2
70.06580	2.7
71.01333	1.6
71.04983	5.4
71.06233	2.1
73.02906	12.3
81.03400	6.0
81.07043	2.0
83.04957	1.8
83.08597	4.4
85.02892	100.0
85.06527	4.2
85.97807	1.1
87.04440	4.2
91.03916	4.8
91.05460	2.1
93.07026	2.6
95.04965	1.4
97.02267	2.1
97.02874	31.1
99.04449	2.6
101.02380	1.3
103.03906	2.5
105.07009	1.4
107.08541	1.6
109.02845	8.2
111.08045	1.1
112.07597	1.3
113.05977	9.4
115.03902	11.0
119.08524	1.2
121.10093	1.5
127.03897	32.3
127.07542	1.8
131.06978	1.9
131.71957	0.9
132.06517	1.1
133.04942	15.5
134.41910	1.1
139.07524	2.0
145.04936	64.6
145.08583	2.4
146.05278	1.0
147.11661	1.1
150.07593	1.3
161.09607	0.9
163.05998	37.1
176.10561	1.1
187.63858	1.1
198.43188	1.0
208.38350	1.2
216.59473	1.2
223.06004	1.8
229.69009	0.9
232.16898	1.9
241.07036	1.7
250.14351	4.5
250.17970	6.3
259.08109	2.2
263.14877	11.7
263.74527	1.1
317.65866	1.2
412.23318	9.2
413.14197	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63250	0.8
53.03937	1.5
55.01656	0.8
55.01867	9.9
55.05496	3.8
56.51808	0.7
56.87840	0.8
57.03426	18.3
59.04993	2.1
61.02916	11.1
67.05491	1.0
69.03419	24.6
69.07100	0.8
69.80233	5.1
71.01344	4.3
71.04988	7.5
72.04505	1.1
73.02911	24.8
79.11904	0.8
81.03403	5.7
81.07037	1.8
83.04971	0.9
83.08599	8.1
85.02893	100.0
86.03211	0.8
86.09686	1.5
87.04455	3.9
91.03936	6.0
91.05425	0.9
93.07015	1.7
95.04900	1.6
96.03401	0.8
97.02879	36.3
97.06442	1.2
99.04454	4.6
99.08086	1.1
101.02378	0.7
101.09641	2.2
103.03937	4.1
105.07029	1.1
107.08601	1.8
107.88694	0.8
109.02192	1.0
109.02863	7.6
109.87537	0.9
111.08079	3.2
113.09587	1.2
114.05499	0.9
115.03912	15.3
121.06461	1.2
121.10137	1.1
123.08034	1.2
127.03902	26.9
129.09119	2.4
132.06546	3.2
133.03975	1.7
133.04945	22.0
135.58853	0.8
139.07497	4.2
141.09093	1.9
145.04939	52.5
146.05270	1.1
150.07587	5.6
151.07515	2.4
153.09076	1.6
155.10582	1.0
163.05991	27.4
163.11215	1.2
167.10677	1.7
169.08505	1.0
179.10655	1.3
181.12189	1.4
184.07280	4.9
191.10675	1.0
197.11755	1.6
209.11757	2.5
215.12868	1.8
217.06993	0.8
223.05988	3.5
227.12767	4.5
241.07065	3.1
245.13739	4.5
259.08115	3.6
263.14828	6.4
351.98105	0.9
387.75632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17131	1.5
51.66842	1.6
53.03703	1.6
53.03959	2.4
55.01860	2.7
55.05506	3.6
56.05027	2.2
56.96561	2.7
57.03420	2.7
60.04520	7.6
61.02907	2.5
67.05488	2.5
68.05034	1.9
69.03430	10.2
69.07065	4.8
70.02937	2.6
70.46928	5.7
71.04969	3.9
72.04509	45.0
73.02922	2.1
73.06552	3.2
74.06085	8.4
75.91898	1.6
76.55828	1.4
81.03415	12.3
81.07057	2.1
83.04969	6.8
84.04499	17.2
85.02895	20.5
86.09696	33.0
87.21319	1.6
88.03989	3.1
89.80037	1.5
90.05545	100.0
91.05482	1.9
95.04984	1.7
96.04474	2.2
97.02867	10.0
98.06045	1.9
98.97570	6.8
99.04440	3.0
100.03968	2.3
101.05991	2.3
105.15158	1.5
109.02867	11.9
111.04434	5.9
112.03973	3.9
114.05515	76.3
116.07080	2.4
116.98636	5.3
118.05006	25.3
120.06471	1.8
126.05534	2.0
127.03916	19.6
132.06546	22.6
132.10168	1.7
136.06039	58.4
139.03902	5.6
143.03371	1.9
144.06560	3.7
145.04980	8.0
153.01828	8.5
153.05396	1.8
158.99599	1.8
160.06036	86.2
167.07054	3.5
173.15909	1.7
178.07089	35.7
178.08533	2.9
180.06471	1.5
180.33765	1.5
197.08028	1.8
202.07179	3.1
215.09331	2.1
215.79382	1.7
219.01778	2.0
220.08228	2.2
226.07106	4.6
237.02802	5.3
238.06992	2.1
244.08183	6.5
258.13245	2.8
262.09238	6.3
268.08188	6.3
270.09833	1.9
276.14334	2.7
280.10587	2.5
286.09161	27.6
304.10202	39.5
319.10406	2.1
322.11319	35.2
376.16083	3.3
378.60919	3.4
394.17010	5.8
403.12341	1.9
412.21994	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3615
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05497	13.2
57.07061	4.1
59.09717	2.1
67.05498	19.4
69.07051	27.4
69.38393	24.2
79.05467	11.9
81.07043	57.6
83.08616	8.9
91.05464	13.7
93.07030	38.8
95.04917	2.6
95.08590	76.6
96.08972	2.3
97.10148	3.6
105.07003	31.0
107.08580	62.7
109.10144	51.9
109.10892	2.3
111.08040	3.5
117.06991	2.9
119.08561	42.2
121.10130	47.7
121.11000	2.6
123.08021	2.9
123.11674	21.6
125.09681	2.3
129.06979	2.7
131.08548	8.6
133.10091	36.0
135.11652	37.6
137.13242	9.5
140.34070	2.3
141.08537	2.6
143.08560	6.3
145.10086	13.8
147.11636	28.2
149.13231	27.0
157.10143	3.1
159.11647	17.9
161.13258	21.2
163.14801	25.0
165.16318	3.1
171.11685	7.0
173.13182	14.1
175.14793	20.1
177.16374	21.6
179.14308	9.5
185.13208	4.3
186.13989	5.3
187.14702	16.4
189.16357	34.4
191.17990	13.8
199.14827	8.1
201.16391	13.6
203.17918	29.7
207.17532	3.4
213.16371	7.8
214.17203	3.7
215.17958	15.7
217.15839	3.3
217.19518	6.5
227.17873	5.7
229.19472	30.7
231.21120	8.7
241.19579	7.4
243.21034	10.8
245.22546	4.6
247.20505	15.7
255.21065	7.5
257.22656	11.2
261.22256	5.2
269.22672	5.7
271.24207	7.5
273.25867	2.7
323.27203	2.8
393.35114	43.3
411.36224	100.0
412.36755	5.4
423.41849	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3617
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03933	2.0
55.05510	12.0
57.07066	3.2
67.05489	21.2
69.07062	21.6
70.75745	6.4
71.08628	2.1
78.47086	1.9
79.05487	18.4
81.03444	2.3
81.07051	50.3
82.07420	2.4
83.08602	12.7
91.05448	16.4
93.07036	43.7
95.04975	4.5
95.08594	91.4
97.02914	2.2
97.10172	6.6
105.07013	29.1
105.07664	2.5
107.07858	3.5
107.08580	70.0
109.06566	2.4
109.10143	47.2
109.10893	2.8
111.11691	2.3
117.07034	2.4
119.08564	35.9
120.08980	1.8
121.10123	52.4
123.08080	4.0
123.11672	17.1
131.08585	7.4
133.10112	29.1
135.11682	31.0
137.13252	5.6
145.10110	14.0
147.08022	1.8
147.11684	26.2
149.13242	29.0
151.07562	4.5
151.11211	2.8
151.14909	2.4
157.10204	3.4
159.11693	10.7
160.13838	1.7
161.13266	20.1
163.11217	3.5
163.14804	68.0
165.12778	3.6
165.16335	1.9
171.11800	3.3
173.13226	9.0
175.14803	23.5
175.16034	2.1
177.16376	23.4
179.14366	9.2
181.83618	2.1
185.13284	3.5
187.14786	17.4
189.16362	31.7
189.17847	2.2
190.16739	2.4
191.17944	21.7
199.14912	2.6
201.16370	9.3
203.17938	36.5
203.19716	2.7
204.18437	1.7
205.15820	2.1
205.19569	6.0
207.17372	11.3
211.15034	1.7
213.16422	3.4
215.17976	9.5
217.19576	6.9
219.17558	2.6
227.17833	2.0
229.19687	4.9
231.21053	20.7
233.19064	5.6
243.21149	3.6
247.20650	2.6
255.21219	2.6
257.22858	2.8
297.25644	8.6
315.26971	4.3
323.27243	2.1
393.35101	18.3
411.20386	5.8
411.36389	100.0
412.36646	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	411.3612
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
50.75763	0.6
53.03921	0.8
55.05500	4.7
56.72265	0.6
57.07053	2.4
67.05491	7.8
69.07059	10.2
69.73965	3.8
69.74379	1.2
70.82807	0.7
71.08606	0.8
79.05478	5.9
81.06572	1.3
81.07042	25.3
83.08603	5.6
91.05463	4.6
93.07023	15.3
95.04930	0.8
95.08590	36.7
97.06528	2.1
97.10123	2.1
105.07004	11.3
107.08575	29.2
109.06478	1.0
109.10130	22.0
111.08031	2.1
111.11660	1.2
118.83421	0.7
119.07767	1.4
119.08562	13.6
121.10119	24.8
123.08076	1.1
123.11690	10.4
131.08513	1.9
133.10104	13.8
135.11667	15.2
135.94901	0.7
137.13220	4.0
141.74019	0.6
145.10106	5.7
147.11658	8.8
149.09576	1.3
149.13229	11.8
157.10063	1.1
159.11678	5.7
161.13220	10.0
162.13678	0.8
163.11172	0.7
163.14796	11.3
165.16309	1.6
171.11707	1.0
173.13214	4.9
175.14809	7.6
177.16362	33.8
178.16754	1.1
179.14209	1.7
185.13251	1.2
187.14793	4.2
189.16348	9.6
191.17924	5.9
199.14697	0.9
201.16316	4.2
203.17929	7.9
205.19502	1.0
207.17390	1.2
215.17873	5.6
217.19449	5.8
229.19482	4.1
231.21068	7.3
233.19017	2.0
241.19446	1.1
243.21069	3.6
245.22638	2.3
247.20546	8.4
255.21014	2.6
257.22629	5.4
261.22137	2.5
269.22540	1.1
271.24182	1.6
273.22086	1.2
287.23590	1.1
393.35107	14.2
411.36142	100.0
412.36472	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3617
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03955	2.2
55.05507	14.3
57.07068	4.2
67.05495	23.0
69.07063	21.3
69.37542	20.9
70.36196	2.2
71.55766	2.6
73.76549	2.4
79.05500	11.0
81.07044	57.0
81.07511	3.2
83.08607	11.6
91.05460	15.1
93.07032	38.4
95.08594	100.0
97.10200	7.6
105.07010	31.5
107.08578	64.7
107.09264	3.3
109.06481	2.7
109.10135	55.9
109.10809	3.8
111.08067	2.5
117.06991	3.4
119.08565	41.2
120.08967	2.2
121.10126	49.6
123.08044	3.8
123.11687	19.3
125.19066	3.0
131.08600	6.3
133.10120	32.1
135.11685	38.1
137.13266	9.3
143.08539	4.1
145.10117	15.1
145.54027	2.2
147.11671	35.0
149.13251	30.9
157.10112	3.4
159.11687	19.0
161.13232	31.9
163.14804	29.7
165.12784	2.5
171.11752	4.8
173.13211	16.1
175.14798	35.8
177.16365	21.0
177.17586	2.2
179.14310	5.3
185.13313	3.4
187.14815	17.1
189.16335	38.0
191.17932	23.9
191.62488	2.6
193.15936	4.7
200.49493	2.4
201.16400	16.1
203.17911	46.4
203.19662	2.6
205.19537	7.0
207.17403	12.6
207.25307	2.7
213.16351	3.8
215.17918	20.3
217.15999	3.2
217.19527	12.6
221.19081	2.8
227.17931	3.3
229.19583	9.9
231.21053	12.1
233.19035	3.1
243.21175	8.0
255.21089	5.6
257.22650	10.8
269.22668	4.8
285.25864	2.6
287.23874	4.3
297.25629	3.1
323.27231	4.4
347.67255	2.7
351.30493	12.3
393.30588	4.0
393.35196	52.4
393.39938	4.4
394.35617	4.3
398.87250	2.4
411.20773	2.5
411.36374	84.5
412.36563	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	411.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.3
57.07068	10.4
59.78779	1.0
60.33767	1.2
67.05489	19.8
67.59206	1.0
69.07054	15.4
71.04979	2.8
71.08621	1.6
71.34338	2.5
79.05466	10.6
81.07043	67.2
83.08600	4.8
85.06535	8.5
91.05442	6.8
93.07026	17.2
95.04934	1.2
95.08591	100.0
96.08934	2.5
97.10139	3.3
98.39288	1.2
105.07020	12.0
107.08574	17.4
109.10136	25.6
117.07048	2.7
119.08555	12.4
121.10119	14.1
123.11703	14.4
131.08522	7.0
133.10115	8.8
135.11676	9.2
137.12167	2.1
137.13229	41.4
138.36943	1.3
140.76332	1.3
145.10106	8.5
147.11697	6.0
149.13232	7.2
151.14821	3.9
157.10091	2.4
159.11629	6.5
161.13242	5.3
163.14810	2.8
171.11633	3.8
173.13232	5.2
175.14728	3.1
179.17926	1.2
187.14792	4.7
189.16409	1.9
191.17896	3.8
193.15886	2.7
199.14716	1.3
199.28313	1.3
201.16359	4.0
205.19482	1.6
212.62628	1.3
213.16379	1.8
215.17867	2.1
241.19458	2.0
243.21059	7.1
259.20554	1.4
261.22098	5.4
269.22266	1.3
359.93243	1.2
393.35043	5.1
398.05005	1.1
411.32242	1.0
411.36264	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	411.3614
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
54.11267	3.3
55.05495	12.4
57.07051	7.3
60.37187	3.7
64.72366	3.2
64.76423	3.6
67.05488	29.7
69.03423	4.5
69.07057	29.5
69.72643	5.4
69.73043	21.8
70.86910	3.8
71.04961	4.5
79.05473	15.1
81.07049	58.3
81.35228	2.9
82.07437	3.9
83.04958	3.9
83.08588	15.3
90.33173	3.4
91.05466	14.0
91.55743	3.3
93.07029	34.3
95.04984	4.0
95.08587	100.0
97.10166	8.0
98.20739	7.4
105.07021	33.3
107.08576	65.0
109.06455	5.3
109.10147	55.9
111.11732	4.4
112.13646	3.5
117.06949	5.3
119.08575	52.3
120.03461	3.4
120.08865	3.8
121.10125	44.8
123.11710	20.0
131.08563	11.1
133.10101	46.9
135.11671	36.8
137.13219	6.4
145.10094	16.8
147.11659	28.5
149.13237	29.2
151.14799	4.5
159.11678	20.9
161.13211	31.2
163.11221	4.1
163.13622	4.7
163.14778	25.6
165.12781	5.6
166.46785	3.8
171.11581	4.8
173.13130	17.4
175.14818	41.8
177.16339	17.9
179.14307	4.6
185.13210	5.8
187.14783	10.5
189.16367	39.1
191.17952	23.9
199.14867	5.3
201.16368	16.3
203.17883	25.7
203.19456	3.4
205.19522	6.1
207.17422	26.6
213.16420	4.2
215.17938	15.9
217.19376	7.9
227.17969	4.7
229.19470	15.5
231.20944	5.9
233.18858	7.0
243.21098	12.0
255.21126	6.5
257.22733	7.5
269.22556	6.3
297.25653	8.5
315.26889	4.8
351.30344	8.5
371.26257	6.2
385.47729	4.5
393.35101	34.3
394.35455	6.6
411.10718	7.9
411.19739	11.9
411.27814	4.9
411.31479	7.3
411.36633	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	411.3253
Annotation	beta-Tocotrienol
Peak:m/z	Relative Intensity
51.02363	0.6
53.03929	1.0
54.32693	0.4
55.05505	4.5
57.03412	0.5
57.07056	1.4
65.03947	0.5
67.05495	8.4
69.03406	2.4
69.06706	0.7
69.07056	7.5
71.04981	0.8
71.08613	0.5
71.17037	1.3
73.02889	0.7
77.03900	0.8
79.05479	7.2
81.03407	1.5
81.07044	17.9
82.07371	0.5
83.04964	0.8
83.08598	3.4
84.04491	0.7
85.02919	0.9
85.06541	2.4
91.05470	7.5
93.07026	21.0
93.07619	1.1
95.04941	2.2
95.08591	20.8
96.08925	1.0
97.06502	2.0
97.10146	0.6
99.08088	0.9
100.11151	0.5
105.07012	19.1
106.07358	0.5
107.04932	0.7
107.08578	25.4
108.08915	0.8
109.02848	0.6
109.06529	2.7
109.10140	15.6
110.10494	0.6
111.08044	2.6
115.05421	0.6
117.07000	2.2
119.08563	29.1
120.08913	1.1
121.06493	4.0
121.10127	21.2
123.08066	2.6
123.11676	5.3
125.09605	1.1
128.06201	0.7
129.06976	2.1
130.07802	0.5
131.08531	7.9
133.06448	0.7
133.10101	15.9
134.10434	0.9
135.04428	0.7
135.08022	2.1
135.10667	0.9
135.11668	9.8
137.05974	1.9
137.09636	2.6
137.13222	1.9
139.82220	0.5
141.11139	0.5
142.07646	0.6
143.08542	5.2
144.09343	0.8
145.10098	11.3
147.08005	3.7
147.11673	11.0
148.12007	0.7
149.09612	1.8
149.13240	26.8
150.13597	1.1
151.07475	0.8
151.11142	0.8
151.14803	1.1
155.08536	0.7
157.10104	6.5
158.10617	0.5
159.08080	0.6
159.11671	11.7
160.12025	1.0
161.09599	7.4
161.13231	20.7
162.13606	1.2
163.11163	2.2
163.14798	22.9
164.15100	0.6
165.12822	0.7
167.07024	0.8
169.10075	1.8
170.10837	0.7
171.11688	6.3
172.12039	0.9
173.09525	0.7
173.13248	8.2
174.13582	0.5
175.11206	2.8
175.14813	10.9
177.12726	1.4
177.16386	2.8
179.14276	7.7
183.11641	1.6
184.12071	0.5
185.13266	5.8
187.11113	0.8
187.14806	8.0
189.12683	2.7
189.16385	5.9
190.13390	0.9
190.16649	0.7
191.14397	1.4
191.17935	1.1
193.15866	0.6
195.11797	0.8
195.13763	0.6
197.13271	1.3
197.15350	1.7
199.14844	3.8
200.15405	0.7
201.16405	7.0
202.16664	0.6
203.14253	2.5
203.17981	3.6
209.15280	0.7
211.14790	1.6
213.12852	0.8
213.16376	5.4
214.17184	0.8
215.14400	1.6
215.17926	27.6
216.18414	0.7
217.15915	0.9
219.17360	1.0
221.15286	0.9
223.14751	0.8
225.16382	1.5
227.17899	4.4
228.18739	1.0
229.19475	11.4
231.17429	1.4
239.17947	1.5
241.19431	6.1
242.20113	0.7
243.17329	0.6
243.21028	2.4
247.16888	0.7
249.18546	1.1
251.17967	1.1
253.19470	1.4
255.21051	10.2
257.19113	0.6
261.18475	1.4
265.19366	0.6
267.21042	1.5
269.22610	0.9
279.21057	0.6
281.22668	0.8
283.24234	1.4
287.20087	1.2
305.22482	1.0
309.25665	1.6
323.23737	0.8
333.25272	0.6
349.28830	1.7
365.27963	0.6
369.27856	0.7
375.30289	4.5
393.31488	11.7
394.31824	0.9
411.32513	100.0
412.32855	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	411.3251
Annotation	beta-Tocotrienol
Peak:m/z	Relative Intensity
50.27071	0.5
53.03916	0.6
55.01862	0.6
55.05502	5.1
57.07061	1.0
60.72084	0.5
65.03926	0.6
67.05493	9.4
69.03402	0.8
69.07059	7.7
71.06832	1.1
74.18332	0.6
79.05476	7.4
81.07044	17.4
83.04951	1.5
83.08609	3.3
84.08466	0.5
85.06521	1.4
91.05467	6.3
93.07027	19.5
95.04926	1.5
95.08595	20.2
96.08950	0.7
97.06506	2.0
97.10110	1.2
99.47146	0.6
105.07016	17.5
107.08578	23.3
109.06498	2.7
109.10143	15.7
111.08062	3.1
117.06984	2.8
119.08565	26.0
120.08897	0.9
121.06485	2.2
121.10119	19.9
122.10468	0.6
123.08066	2.9
123.11691	5.4
125.09590	1.2
127.07433	0.6
129.06975	1.6
131.08563	7.5
133.10107	12.1
134.10361	0.5
135.08023	1.9
135.11687	8.0
136.12010	0.5
137.09595	2.3
137.13258	1.9
143.08542	4.8
145.10112	11.8
146.10605	0.5
147.08058	1.4
147.11674	9.2
149.09631	1.2
149.13240	27.2
151.07475	0.7
151.14841	1.0
155.08508	0.7
157.10101	5.3
158.10918	0.9
159.11662	12.7
161.09659	2.9
161.13225	20.9
163.11163	0.9
163.14799	23.9
164.15150	0.9
169.10144	1.9
170.10893	0.9
171.11671	5.5
173.09618	0.7
173.13246	7.4
175.11133	1.0
175.14795	10.1
177.12788	1.0
177.16377	3.0
179.14279	8.2
181.10086	0.6
183.11710	1.9
185.13283	6.2
187.11200	0.6
187.14819	8.6
188.15092	1.0
189.12778	1.6
189.16353	6.3
191.14331	1.2
195.11723	0.8
197.13208	1.5
197.15289	1.6
199.13269	0.9
199.14836	3.6
201.16417	5.2
202.16640	0.6
203.14328	2.1
203.17960	2.7
205.15764	0.6
207.13744	0.7
209.13274	0.8
209.15291	1.0
211.14835	1.5
213.16316	5.5
214.16960	0.7
215.14537	1.5
215.17917	30.5
216.18277	1.4
217.19464	0.6
225.16331	1.1
225.65161	0.6
227.17873	4.2
228.18578	1.4
229.16017	0.7
229.19490	11.0
230.19856	0.6
231.17319	0.7
237.16348	0.8
239.17941	1.8
241.19492	6.0
242.20010	0.8
243.17413	1.1
243.21161	2.7
249.18507	0.7
251.17909	0.8
253.19545	2.2
255.21036	11.0
256.21368	0.9
261.18408	2.1
267.21155	1.9
269.17255	0.6
269.22571	0.8
279.21100	0.6
281.22571	0.8
283.24118	1.6
287.19977	0.8
293.22800	0.7
305.22760	0.7
309.25739	1.4
349.28754	2.7
375.30469	4.5
393.26904	0.8
393.31516	10.0
411.32547	100.0
412.32953	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80904	0.3
53.03934	0.7
55.05503	0.8
57.03423	1.0
59.04984	0.5
67.05484	1.6
69.03409	3.2
69.07050	0.4
71.04980	38.4
71.62131	0.6
79.05463	1.3
81.03399	4.0
81.07040	1.4
85.02898	5.0
85.06528	6.0
87.04449	0.8
91.05460	0.9
93.07003	0.8
95.04940	1.6
95.08562	0.6
97.02880	5.0
99.04440	1.2
103.05427	0.4
103.07561	0.5
105.07014	0.6
107.08589	0.6
108.08059	1.2
109.02885	2.9
109.06499	0.6
110.06033	1.5
110.09699	0.6
113.05984	5.1
120.08090	0.5
124.07599	2.5
125.08315	1.1
126.09136	2.3
127.03912	3.0
127.07538	17.5
129.06998	0.5
131.07016	11.3
132.44804	0.4
133.06404	0.4
134.09583	0.7
135.04382	0.4
136.07567	1.4
138.05478	0.4
138.09119	1.3
141.05473	0.8
145.04967	2.2
145.08572	100.0
146.08904	1.5
148.07507	0.4
152.10693	1.4
155.06998	1.1
164.45781	0.4
165.11159	0.4
166.08597	3.2
167.07018	0.8
167.09425	0.4
170.53374	0.5
173.08159	2.4
173.09500	0.5
185.08090	1.0
186.12776	0.6
187.06006	0.4
188.10703	0.5
188.14330	1.0
191.09120	8.5
204.61081	0.4
231.14888	1.8
232.09760	1.0
232.13297	0.5
245.10205	1.7
249.15982	4.5
249.97246	0.4
257.09952	0.6
273.15924	3.0
291.16968	17.4
292.13852	0.5
292.17123	0.9
317.12210	1.7
335.13327	2.1
368.51968	0.4
411.20297	4.6
413.37454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.0
55.05495	1.0
56.96564	7.3
57.03421	3.6
59.04983	1.1
61.02909	1.7
67.05471	1.2
69.03419	9.6
69.60760	4.9
69.61175	2.4
71.04971	2.4
73.02900	1.9
81.03413	3.0
82.99841	1.3
83.04951	2.3
84.96027	2.6
85.02894	12.8
95.04942	1.0
97.02876	6.9
98.03261	0.9
98.97575	8.2
99.04445	1.5
100.99127	1.4
101.00874	8.3
103.00597	1.0
103.02421	2.4
107.03424	1.1
107.05022	1.0
107.57306	0.9
109.02838	3.7
111.04417	1.9
113.03462	1.8
115.02402	1.4
115.28447	0.9
116.98609	4.7
119.01905	22.1
120.01994	0.9
121.01672	5.3
124.99087	2.2
127.03905	7.6
128.98601	3.4
129.03961	2.1
131.00171	1.7
131.01889	3.9
133.01750	2.0
133.03462	14.0
134.99644	3.0
135.03191	1.9
136.34625	0.9
137.02969	4.7
142.03481	1.0
143.00174	5.2
143.01871	6.2
144.98106	1.0
145.01674	3.3
145.03444	6.8
145.04910	3.9
146.99620	2.8
147.01357	1.4
147.03174	3.0
147.04993	4.7
150.05490	4.7
151.04398	2.1
153.01817	12.0
153.03947	3.2
155.01857	4.8
157.01639	2.5
157.03445	7.2
158.99588	2.0
159.03127	1.2
159.05025	2.9
161.01216	8.7
161.02940	14.2
162.02945	1.2
162.99199	1.4
163.02663	4.9
163.04414	1.3
165.06081	1.0
167.05563	1.6
167.06958	1.0
169.03461	7.3
170.99683	2.4
171.03496	2.3
171.05005	26.5
172.97636	1.1
173.01617	1.0
173.02937	7.2
173.06673	1.1
175.02728	4.6
175.04491	7.0
177.00676	3.3
177.06030	1.8
178.19411	1.0
178.95723	1.1
179.02206	2.5
180.84036	1.2
184.04681	1.2
185.01408	1.1
185.02931	5.5
185.04561	1.2
185.06560	1.7
186.99092	2.9
187.02869	1.8
187.04486	12.1
188.04716	1.4
189.00687	2.8
189.04385	2.1
189.06065	9.2
193.03546	1.5
194.06604	1.4
197.02969	2.2
197.06587	1.1
199.04643	1.1
199.20854	0.9
201.06091	3.4
203.02264	2.4
203.03975	1.7
204.04045	1.0
205.00143	4.6
205.05591	1.8
207.05278	1.8
207.07083	7.5
211.04504	3.2
213.02502	1.1
215.03912	1.5
217.05608	1.2
219.01736	3.0
219.07123	2.3
221.05081	3.9
223.01305	4.5
223.04716	2.1
223.06616	1.1
225.06107	2.6
225.08202	7.7
229.00090	1.2
231.03499	1.5
231.07179	2.8
233.03252	2.2
235.06677	1.4
237.02792	2.3
239.59628	1.7
240.07591	4.7
240.10147	1.6
240.58119	2.4
241.06631	1.4
245.05112	8.1
247.06635	42.0
247.09157	2.4
248.06944	2.1
248.99312	2.6
249.08342	13.8
256.07791	1.3
259.06598	2.8
261.08420	8.6
263.06042	1.4
263.09784	2.3
265.07675	61.6
266.07858	3.6
267.00256	3.6
267.03952	1.1
267.07275	1.7
273.08093	3.6
277.07745	1.3
285.08231	4.5
288.09280	4.4
291.00192	7.9
291.03857	3.9
291.09161	2.1
293.05405	1.2
294.05869	1.0
303.00211	1.1
303.09128	1.5
305.09177	1.0
309.01224	5.7
309.04822	2.8
318.99725	1.4
319.04837	1.6
321.01218	1.8
321.10226	5.0
333.06659	1.8
351.11340	100.0
352.11639	5.1
369.10587	8.3
375.12021	1.2
393.02722	1.7
393.12601	1.4
411.08878	7.2
411.14011	4.6
421.83221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	6.2
57.03423	1.9
61.02905	1.5
66.86350	0.9
69.03430	7.3
71.04977	1.2
71.36913	2.4
73.02924	2.0
81.03384	1.6
82.99839	1.2
83.04958	3.0
84.96028	1.8
85.02495	0.9
85.02901	11.1
91.05430	1.0
97.02861	4.0
98.97560	6.9
99.04435	2.2
99.68149	0.9
101.00867	6.2
103.00607	1.9
109.02863	2.5
111.04428	2.2
113.00838	1.3
113.03457	1.6
115.02393	2.2
116.07093	1.2
116.98591	4.0
119.01913	29.8
120.02020	1.7
121.01637	4.1
121.03392	1.6
123.04448	1.4
127.03912	4.6
128.98589	1.9
129.03993	2.4
130.08632	1.4
131.01877	5.7
133.01671	2.8
133.03459	12.8
134.99586	1.0
135.03207	1.7
137.02940	5.6
139.03918	1.2
143.00127	3.7
143.01881	7.2
145.01682	2.8
145.03433	9.7
145.04863	2.4
146.99626	2.1
147.03192	2.4
147.05095	5.3
150.05475	7.4
151.02467	1.1
151.04500	2.3
153.01819	11.2
153.03987	3.8
155.01910	4.8
157.01656	3.0
157.03450	10.3
159.03152	1.6
159.05016	4.3
161.01268	4.0
161.02937	15.3
162.03255	1.3
163.02634	4.8
167.01900	1.4
167.07088	1.6
169.03441	10.8
170.99620	1.3
171.03436	2.0
171.05002	34.2
172.05072	1.3
173.01440	1.7
173.02943	7.8
173.04420	1.7
173.06554	1.8
175.02876	2.1
175.04504	8.3
177.00731	2.8
177.06026	1.8
179.02098	3.2
179.04060	0.9
183.05043	2.4
185.02931	8.0
185.06552	2.0
186.99039	1.5
187.04521	14.2
189.02534	1.3
189.04269	2.9
189.06061	8.6
191.05724	1.6
197.02928	3.9
199.04462	1.6
201.00771	1.7
201.06046	3.5
203.02187	1.6
203.03828	2.5
205.00194	2.8
205.03810	1.9
205.05598	1.7
207.01657	1.0
207.05260	1.8
207.07063	8.1
211.00784	1.3
211.04440	3.4
217.05531	2.0
219.01828	2.8
219.07100	2.0
221.04982	4.7
223.01205	2.2
223.04803	3.2
223.06735	2.5
225.06148	3.5
225.08182	6.5
229.05727	1.5
231.03558	1.3
231.07222	2.4
233.03456	1.8
237.06239	1.4
239.57556	1.3
240.07602	2.2
240.57961	1.0
243.06944	1.5
244.04309	1.9
245.05098	9.8
246.05237	1.6
247.06644	49.1
248.06908	1.8
248.99124	1.8
249.06065	1.6
249.08296	15.8
256.07889	1.3
259.06622	1.7
261.08334	10.9
263.09732	3.9
265.07678	77.3
266.07932	3.2
267.00287	1.5
267.07526	1.3
273.08102	4.0
277.03284	1.9
277.07599	1.4
285.08215	5.1
287.21198	1.4
288.09146	3.9
291.00183	4.7
291.03433	1.8
291.09494	2.4
293.09189	1.2
295.08917	2.2
309.01282	2.6
309.04742	1.7
321.01184	2.2
321.10254	3.2
351.11374	100.0
352.11584	7.4
369.10748	8.4
379.06693	1.2
411.09018	10.2
411.13351	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3822
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03940	2.0
55.05503	13.1
57.07083	9.2
65.62764	1.8
67.05493	22.8
69.07061	56.3
69.92884	8.4
71.08607	3.9
79.05484	11.4
81.07048	97.1
83.08599	18.8
89.80996	2.4
91.05463	9.3
91.32034	2.0
92.86333	2.1
93.07037	26.3
94.55489	2.2
95.00706	2.1
95.04974	2.8
95.08598	83.2
97.10155	12.2
98.20806	3.0
105.07011	20.9
107.08578	34.1
107.11079	1.8
109.10141	51.2
111.11709	5.8
119.08567	29.6
121.10134	37.4
123.11692	35.7
125.13261	2.8
131.08549	8.5
133.10117	21.9
135.11673	23.4
137.13228	19.1
137.37440	1.9
145.10085	16.4
147.11667	19.5
149.13237	20.2
151.14824	3.3
157.10141	2.3
159.11653	15.3
161.13232	18.2
163.14813	13.8
171.11646	2.7
173.13235	15.7
175.14795	13.9
177.16367	13.5
179.17921	2.3
187.14786	10.9
189.16341	14.6
191.17946	5.7
193.19487	2.5
201.16382	8.6
203.17937	11.4
205.19424	3.2
213.16400	4.4
215.17854	10.4
217.19534	6.1
227.17926	2.2
229.19542	13.7
231.21133	8.3
243.21074	4.1
255.20898	1.9
257.22714	6.5
259.24304	5.9
267.07480	1.8
271.24173	8.8
276.48056	2.0
285.25848	5.9
297.25723	2.2
299.27362	4.4
327.30380	4.7
367.33380	2.5
368.39618	2.4
403.86444	2.1
409.38272	100.0
410.38705	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	409.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03127	4.3
55.05491	17.0
57.07055	12.5
67.05493	29.1
69.07059	51.8
71.62670	6.7
73.88332	3.6
76.42897	3.5
79.05479	10.9
81.00385	4.1
81.07044	79.3
83.08617	26.1
91.05469	12.0
93.07033	32.1
93.71151	3.9
95.08593	86.3
97.10137	12.8
105.06999	22.8
107.08574	48.8
109.10133	59.6
117.07043	4.1
119.08592	30.1
121.10122	37.4
123.11691	24.9
131.08615	5.2
133.10106	25.6
135.11697	33.9
137.13220	17.1
145.10103	17.2
147.11696	22.6
149.13235	27.4
151.07562	5.6
151.14799	5.9
159.11681	20.3
161.13237	14.0
163.14792	11.0
173.13272	9.6
175.14807	16.5
177.16373	10.6
187.14752	16.8
189.16406	11.5
191.17924	10.3
201.16365	9.6
203.17998	11.6
213.16437	5.0
215.17935	10.7
217.19537	9.8
229.19432	5.7
231.21068	5.4
257.22623	13.1
259.24133	5.8
271.24228	7.3
299.27353	4.3
309.61197	4.1
327.30374	9.4
339.30655	4.7
353.32361	5.5
409.33566	7.4
409.38333	100.0
410.38736	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	409.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
52.16407	0.8
53.03918	1.6
55.05504	8.4
56.33448	0.6
57.07058	3.5
64.48238	0.6
67.05497	12.1
69.03387	1.0
69.07055	15.7
70.82286	0.9
70.82611	1.2
71.04978	1.0
71.08595	0.8
79.05479	9.1
81.06567	1.5
81.07043	30.5
83.04969	2.2
83.08606	9.0
91.05466	10.9
93.07034	23.4
95.04939	1.6
95.08591	50.7
96.08937	0.8
97.06501	1.5
97.10136	4.1
103.05466	0.7
105.07014	26.2
107.08578	39.1
108.08926	1.0
109.06503	1.9
109.10138	25.0
111.08071	1.2
111.11745	1.6
117.06993	4.3
119.08565	28.6
121.06464	1.0
121.10123	33.6
123.08068	2.7
123.11690	14.3
129.06963	1.9
131.08557	8.2
133.07558	0.7
133.10110	25.7
134.10495	0.9
135.07985	1.7
135.11667	20.2
137.09587	1.8
137.13216	6.5
139.11150	0.9
143.08521	2.6
145.10097	14.9
147.10500	1.0
147.11668	14.8
149.09641	1.2
149.13240	21.4
151.11156	2.1
151.14786	1.7
157.10133	4.4
159.11687	11.7
161.13226	12.1
163.11218	5.5
163.14784	20.4
165.12732	8.7
165.16373	1.3
169.10072	2.0
171.11688	4.1
173.13234	11.1
174.13817	0.8
175.11179	1.6
175.14798	17.9
176.15004	0.7
177.12755	3.1
177.16365	22.6
178.16725	1.0
180.60663	0.8
183.11690	1.9
185.13202	3.7
187.14784	20.8
188.15254	1.2
189.16353	29.4
191.14296	1.6
191.17924	7.8
193.15909	1.7
197.13263	1.6
199.14803	4.7
201.16371	9.2
203.14360	1.3
203.17921	36.1
204.18198	2.5
205.15842	14.9
205.19511	2.1
207.17340	1.5
211.14821	2.3
213.16331	6.0
214.17134	2.8
215.17880	9.1
217.15953	0.9
217.19537	5.4
219.17413	4.9
225.16301	1.5
227.17816	3.9
229.19495	4.6
231.17473	2.4
231.21069	2.5
233.18980	1.6
239.17972	2.4
241.19453	4.4
243.21034	3.7
245.19023	3.1
253.19501	2.6
255.21112	3.7
257.19003	1.0
257.22635	3.4
259.20572	2.6
267.21094	3.4
269.22598	1.6
271.20428	1.2
273.22058	1.7
279.20999	0.9
281.22449	0.9
283.24127	1.1
285.22250	1.6
295.24243	1.3
299.23563	1.1
307.24304	1.5
309.25735	1.2
313.25330	1.9
321.25681	1.8
335.27289	1.5
353.28519	0.9
381.35031	2.0
391.33533	21.9
392.33932	2.4
409.34613	100.0
410.34955	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	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.05501	11.1
57.03413	1.2
57.07063	4.3
67.05495	18.5
69.03419	1.3
69.07055	15.8
71.04975	1.6
71.08599	1.7
71.62648	1.7
77.52927	1.0
77.83274	1.0
79.05476	13.3
81.07046	39.7
83.04961	1.4
83.08614	9.4
84.22665	1.0
85.06532	18.1
91.05468	16.7
93.07030	34.3
93.07619	1.8
95.04969	5.4
95.08595	58.6
97.06510	2.3
97.10168	4.6
99.08097	1.4
105.07015	41.3
107.08581	45.0
109.06516	3.6
109.10139	35.0
111.08061	2.2
111.11743	1.8
111.15044	1.1
113.09574	1.2
117.07009	6.4
119.08566	49.4
121.06512	2.0
121.10131	36.6
122.10561	1.0
123.08060	3.6
123.11694	15.2
125.09615	1.3
127.11195	1.4
129.06990	2.5
131.08549	18.0
133.10115	31.1
135.08087	2.3
135.11674	25.9
137.09590	1.9
137.13223	8.7
139.10971	1.0
142.07761	1.5
143.08549	6.4
144.09341	1.8
145.10101	38.9
147.08044	1.7
147.11664	27.6
149.09666	1.6
149.13229	17.0
151.07561	3.2
151.11195	1.5
153.47418	1.1
155.08490	2.2
157.10104	7.7
158.10866	2.1
159.11679	22.4
160.12411	1.4
161.09615	2.7
161.13226	27.6
163.11169	2.6
163.14799	16.3
165.09126	3.2
165.12770	3.5
165.16423	1.1
167.07098	1.8
168.14752	1.2
169.10144	3.2
171.11665	7.7
173.11748	1.9
173.13210	13.5
175.11169	2.2
175.14827	15.4
177.12711	1.9
177.16359	12.7
179.14302	4.3
179.17883	1.3
181.12199	1.2
183.11700	3.3
185.13246	9.8
187.11269	1.6
187.14795	34.2
188.15237	2.3
189.12704	2.1
189.16347	20.1
189.17885	1.7
191.14388	2.4
191.17909	26.0
192.18279	1.0
193.15858	4.9
197.13252	3.7
199.14847	7.9
201.16371	28.2
203.14273	9.6
203.17938	23.8
205.15886	13.6
205.19530	3.1
207.17517	2.7
211.14803	2.7
213.16321	6.5
214.17058	1.3
215.14165	1.2
215.17917	7.4
217.16075	2.1
217.19493	13.0
219.17491	4.7
221.15317	6.6
225.16397	1.4
227.17950	4.7
229.15857	2.7
229.19502	6.1
231.17474	2.1
231.21030	2.6
233.18837	1.8
234.16028	1.5
237.16359	1.2
239.17950	2.1
241.19537	4.4
243.21135	3.4
247.20596	1.5
253.19514	2.3
255.21059	4.8
256.30032	1.2
257.19064	1.8
257.22693	3.3
259.20566	1.9
267.21048	4.2
269.22388	2.2
271.20697	1.2
271.23993	1.4
273.22183	2.2
281.22543	2.6
285.22061	1.4
295.24109	1.4
307.24197	1.7
313.25198	1.5
321.25815	1.2
353.28549	1.1
391.33551	22.7
392.33875	3.0
409.18298	3.8
409.26785	6.0
409.34641	100.0
410.34958	10.8
413.12106	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.05501	3.7
55.69366	0.9
57.07064	2.3
67.05496	10.9
69.07053	13.5
70.81054	1.3
70.81387	2.6
71.08623	1.2
79.05480	6.8
81.07042	23.2
83.08611	4.0
91.05469	7.6
93.07027	18.7
95.08592	31.4
95.39702	1.2
97.06566	1.3
97.10162	2.4
102.97202	1.0
105.07017	14.4
107.08582	26.0
107.09289	1.8
109.10146	14.9
115.66091	1.0
117.07041	1.6
119.08560	22.2
119.09338	1.8
120.08826	1.4
121.10133	21.3
123.11691	7.4
129.06984	1.9
130.07742	1.1
131.08548	10.8
133.10107	17.0
135.11667	16.1
137.13231	6.4
143.08519	4.8
145.10112	14.9
147.11667	13.8
149.13220	21.2
149.14305	1.4
157.10063	5.5
159.11682	11.9
161.13254	9.8
163.11111	1.7
163.14796	34.5
169.10170	1.9
171.11620	6.5
173.11897	1.5
173.13223	7.8
175.14832	8.8
177.16362	12.4
179.14264	2.2
183.11641	1.1
185.13368	5.1
186.14232	1.1
187.14799	17.2
189.12775	1.3
189.16351	14.5
191.18040	2.5
197.13292	1.9
199.14778	6.6
201.16347	12.3
203.17909	11.8
205.15886	1.9
211.14764	2.4
213.16493	5.1
215.17915	8.7
217.19539	3.2
225.16365	2.2
227.17833	5.3
229.15974	1.7
229.19489	7.2
239.17780	2.2
241.19479	8.0
243.21024	6.8
247.20511	1.2
253.19577	4.1
255.21068	18.2
257.22647	11.5
259.20395	2.2
267.21115	3.9
269.22656	14.6
285.22052	8.5
295.24304	1.8
321.26123	1.1
346.80179	1.0
391.33582	11.5
409.18652	10.5
409.25879	2.8
409.34668	100.0
410.34863	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	409.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01625	0.9
55.05505	6.7
57.07061	1.9
67.05498	12.8
69.07058	13.4
71.04988	1.3
71.08623	0.9
78.25529	0.7
79.05477	8.9
81.06570	1.7
81.07043	24.2
83.04972	1.1
83.08601	5.9
84.85398	0.7
91.05460	8.8
93.07029	24.3
95.04968	1.7
95.08593	47.9
97.10147	3.5
105.07013	20.1
105.07670	1.5
107.08580	44.2
109.06490	1.2
109.10139	26.9
111.11688	1.5
117.07020	1.6
119.07697	0.8
119.08562	24.0
121.06499	1.9
121.10126	35.7
123.11697	7.5
125.09686	0.8
126.21857	0.7
127.03751	0.7
127.11116	0.9
131.08568	5.5
133.10103	24.5
134.10466	0.9
135.08046	2.0
135.11661	16.9
137.09612	1.2
137.13254	3.2
143.08528	2.4
145.10094	13.8
145.93718	0.8
147.11665	16.9
149.09595	0.8
149.13242	29.6
150.13553	0.9
157.10135	2.5
158.11005	1.1
159.11687	9.1
161.09604	0.8
161.13258	9.8
163.11159	10.2
163.14799	21.3
171.11676	2.2
173.12003	1.1
173.13210	5.1
175.11163	1.8
175.14796	20.6
177.12769	1.8
177.16360	31.8
178.16599	1.2
185.13257	2.8
187.14783	13.4
189.12602	1.1
189.16354	15.3
191.17915	11.0
199.14810	2.9
201.16368	7.0
203.17921	91.6
204.18294	3.1
205.15845	54.7
205.19513	4.4
206.16154	1.0
207.17422	0.8
211.14925	1.0
213.16376	2.5
215.17915	4.0
217.15846	0.9
217.19518	2.9
219.17442	6.3
227.17947	2.3
229.19479	2.8
229.48521	0.8
231.17393	5.1
231.21146	1.4
241.19508	3.2
243.21144	2.6
245.19025	1.6
253.19617	0.9
255.21106	3.2
257.22577	1.3
259.20587	1.6
267.21005	1.4
271.20590	1.4
285.22217	0.9
295.24353	1.3
313.25168	1.4
367.30017	0.9
381.35117	3.1
391.33499	10.4
409.25888	2.6
409.34607	100.0
410.34955	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.6
55.05502	11.2
57.07065	5.0
57.86570	0.7
59.04987	1.2
59.68361	0.6
65.03922	1.5
67.05496	20.6
69.03413	2.5
69.07058	18.8
70.77408	1.0
70.77740	1.5
71.04989	1.6
71.08623	1.1
77.03909	1.4
79.05482	15.4
81.03400	0.8
81.07045	47.0
83.04964	3.2
83.08607	10.6
85.06536	1.6
91.05463	16.3
93.07030	35.2
94.07356	0.7
95.04953	10.6
95.08594	61.0
96.08948	1.3
97.06516	3.2
97.10153	5.5
105.07013	41.7
107.04923	0.7
107.08579	45.1
108.08879	0.6
109.06507	5.5
109.10136	33.0
111.08058	2.8
111.11729	1.3
115.05398	1.0
117.07000	5.8
119.08565	39.0
121.06492	3.7
121.10126	42.6
122.10423	0.8
123.08057	5.5
123.11694	20.4
125.09652	1.2
128.06223	2.1
129.06975	2.9
130.07793	1.8
131.08557	14.5
132.09021	0.7
133.06490	1.0
133.10109	28.3
135.08055	3.4
135.11670	25.0
135.12694	1.5
137.09657	3.4
137.13235	6.6
139.11147	2.9
141.07001	1.0
142.07764	2.5
143.08553	7.6
144.09322	1.7
145.06442	1.0
145.10103	23.7
147.08008	2.9
147.11661	24.4
148.11966	1.0
149.09615	3.3
149.13242	21.5
150.13704	0.8
151.07523	2.5
151.11171	2.9
151.14796	2.3
153.06937	0.8
153.12701	0.9
155.08556	2.1
156.09291	1.5
157.10092	9.0
159.08028	1.3
159.11668	17.3
161.09616	2.4
161.13228	14.7
163.11151	4.7
163.14803	18.1
163.79698	0.6
165.09090	5.3
165.12738	19.0
165.16347	1.0
167.08501	1.2
168.09264	0.8
169.10103	3.2
170.10896	1.1
171.11687	7.0
172.12335	0.8
173.09674	1.0
173.13231	13.1
174.13896	0.6
174.50499	0.6
175.11191	5.5
175.14796	16.6
177.12737	3.0
177.16373	20.4
177.17699	0.7
178.16780	1.2
179.14331	0.8
181.12106	0.8
183.11623	3.7
185.13255	5.4
186.14005	1.3
187.11191	1.0
187.14790	18.0
187.16402	1.1
188.15196	0.8
189.12775	2.3
189.16350	27.2
190.16699	0.9
191.14311	2.7
191.17877	6.8
193.15848	1.8
195.11726	0.9
197.13234	2.7
199.11124	1.0
199.14792	9.7
201.12769	1.6
201.16344	11.7
203.14343	3.2
203.17921	24.4
204.18040	0.8
205.15862	14.5
205.19536	0.8
206.16216	0.9
207.13919	1.3
207.17447	1.6
209.13306	0.8
211.14841	3.0
212.15359	0.8
213.16383	7.5
214.17073	4.0
215.14449	1.0
215.17917	11.8
217.15929	1.3
217.19432	6.2
219.17343	3.5
221.15355	11.0
223.14868	0.7
225.16336	2.4
226.03662	0.7
227.17834	3.3
229.15857	1.3
229.19492	2.8
231.13864	1.0
231.17398	2.5
231.21091	1.8
233.18935	1.4
234.16168	2.0
239.17934	1.6
241.19443	4.7
243.21027	5.2
245.19058	4.0
245.22633	3.1
253.19551	3.1
255.21013	5.5
257.18927	0.8
257.19861	0.8
257.22675	7.8
259.20618	2.0
267.21155	3.5
269.22589	1.5
271.20541	1.0
271.24344	0.9
273.22226	1.3
281.22742	1.3
285.22324	1.2
286.19376	0.9
287.24008	0.8
295.24255	1.5
299.23666	0.9
300.20828	1.1
309.26035	1.3
313.25269	1.3
325.25330	1.1
329.21213	1.2
335.27264	1.1
381.35312	1.6
391.25842	1.0
391.28741	0.8
391.33539	20.7
392.33896	1.2
397.42783	0.8
405.54980	0.7
409.26785	8.2
409.34631	100.0
410.27115	0.8
410.34946	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	409.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.05298	0.9
55.05503	11.0
57.07061	3.3
59.04979	0.9
65.03924	2.0
67.05493	23.8
69.06709	1.6
69.07058	18.7
69.49746	6.9
71.04991	1.3
79.01580	0.9
79.05477	15.3
80.74206	0.9
81.07043	49.7
82.07373	1.3
83.04956	1.7
83.08603	9.3
85.06495	1.0
91.04946	1.7
91.05460	15.9
93.06458	2.1
93.07030	36.2
95.04937	3.3
95.08588	70.9
96.08920	2.7
97.06535	2.1
97.10127	6.6
105.07017	32.4
107.08576	52.0
108.08888	0.9
109.06507	2.1
109.10139	37.3
111.08077	2.5
111.11710	2.2
117.06987	4.9
119.08559	34.1
121.06468	1.3
121.10123	46.3
122.10447	1.7
123.08029	2.1
123.11686	17.3
125.02303	1.3
128.06210	1.2
128.79344	0.9
129.06973	2.3
130.07770	1.4
131.08548	14.9
133.10098	32.3
133.11070	2.0
135.08037	1.6
135.11671	27.1
136.11957	1.1
137.09604	1.9
137.13232	7.4
139.11157	2.1
141.07056	0.9
142.07652	1.2
143.08533	5.7
145.10104	22.4
147.11664	23.8
149.09607	2.2
149.13235	31.2
151.11118	1.3
151.14905	1.2
155.08566	1.1
157.10094	8.3
158.10928	1.2
159.11656	18.9
161.13232	16.2
163.11177	6.5
163.14787	20.5
165.12692	7.9
165.16342	1.4
169.10110	1.7
171.11682	8.2
173.11835	1.2
173.13220	12.8
175.14790	22.8
176.15137	1.3
177.12697	3.8
177.16357	24.7
178.16615	1.3
183.11609	1.8
185.13216	5.4
187.14783	21.5
189.16342	21.6
191.14259	2.7
191.17859	10.5
193.15836	2.0
197.13249	2.0
199.14777	8.0
201.16364	12.4
203.14291	2.9
203.17931	49.2
204.18283	2.2
205.15842	33.3
205.19449	3.1
207.17401	1.3
211.14781	1.6
213.16354	8.4
214.17157	3.1
215.17899	10.5
217.15910	2.4
217.19495	5.0
219.17496	5.0
227.17883	5.4
229.19521	4.4
231.17409	3.2
231.21042	2.5
233.19070	1.7
239.17918	2.3
241.19521	4.4
243.21088	3.7
245.18967	3.5
245.22665	1.4
253.19493	2.2
255.21126	4.3
257.18915	1.1
257.22620	5.7
259.20538	2.7
266.08945	1.1
267.21011	2.4
269.22595	1.7
271.20633	2.2
271.24118	1.3
273.21979	1.4
275.09918	1.0
285.22244	1.2
295.24231	2.1
309.25723	1.0
339.26718	1.2
351.30457	2.2
381.35214	2.8
391.33569	12.7
408.94513	1.2
409.25854	4.7
409.34619	100.0
410.35080	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	409.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01868	11.0
55.05507	24.7
57.03431	2.7
57.07070	33.7
59.36484	1.9
61.92999	2.2
64.40541	2.1
67.05492	8.7
69.06718	3.2
69.07066	49.1
70.80762	5.5
71.08629	24.5
72.97279	2.4
79.05487	6.7
81.07053	21.5
82.44377	2.6
83.08616	31.3
85.10173	11.8
91.05483	6.2
93.07050	12.8
95.04967	5.2
95.08582	19.4
97.06509	2.8
97.10158	20.9
99.04448	5.2
105.07024	7.9
107.08566	13.4
109.02874	5.3
109.06488	4.0
109.10105	11.4
111.08036	2.9
111.11697	8.0
119.08570	7.5
121.06506	5.0
121.10144	7.1
121.75751	2.1
123.08061	5.0
123.11687	4.7
124.99180	2.0
125.02350	25.5
125.05927	2.7
125.13261	7.5
127.03903	24.3
131.08571	7.2
133.10114	5.8
135.08072	3.9
135.11659	4.5
139.03899	2.7
139.07536	9.5
143.03407	2.7
145.10103	4.8
147.11702	5.1
149.09622	6.7
149.13235	3.0
159.11713	4.4
163.07602	2.7
163.11160	4.1
163.14850	3.8
165.12697	3.7
167.07068	3.1
169.08563	12.6
173.13275	2.7
175.14832	3.8
177.09062	12.7
177.12901	2.1
179.10657	3.7
183.10175	9.0
187.14818	3.4
191.17822	2.6
195.10178	20.5
197.11807	3.1
201.16359	2.8
205.15880	2.3
209.11708	3.9
215.14227	2.6
233.15346	2.8
237.14786	5.8
239.16469	3.5
251.16331	5.6
253.18098	2.6
265.17905	5.3
279.19550	5.1
327.30252	2.5
335.25693	5.7
343.51559	2.9
345.31522	10.6
347.33282	3.1
355.29974	7.9
373.30927	29.4
374.31128	3.2
391.31992	100.0
392.32410	5.4
409.34567	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	409.346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.05496	7.8
57.03414	2.1
57.07061	2.8
64.75191	1.0
67.05492	22.1
69.03413	1.4
69.07054	12.5
69.50804	7.9
71.08598	0.8
79.05482	11.1
80.23051	0.8
80.40541	0.9
81.06566	1.9
81.07045	34.4
83.04965	3.3
83.08598	6.4
85.06520	2.0
91.05454	9.6
93.06546	0.6
93.07027	26.7
95.04963	2.7
95.07972	2.2
95.08592	44.2
96.08952	1.3
97.06512	2.3
97.10134	2.9
99.08087	1.1
105.07015	20.8
107.08577	34.2
109.02955	0.8
109.06506	1.0
109.10138	25.4
111.08052	1.9
111.11681	1.1
117.07041	2.5
119.08562	27.7
121.03528	1.0
121.09303	1.5
121.10128	22.9
123.08022	1.3
123.11688	9.5
126.24617	1.0
129.07016	2.6
130.07716	0.9
131.08542	11.0
133.10103	18.8
135.11667	16.9
137.09604	1.5
137.13228	11.4
142.07704	1.1
143.08542	6.3
144.09352	1.1
145.10100	18.4
147.11658	16.4
147.12761	1.1
149.13231	20.7
149.14351	1.6
151.14871	0.9
155.08611	1.2
157.10091	7.2
159.11661	13.9
161.13237	12.0
163.11154	1.4
163.14793	23.3
163.16069	1.6
165.09216	1.1
165.12733	0.9
165.16364	1.2
169.10155	2.0
171.11636	7.8
173.11766	3.1
173.13252	10.2
175.14807	12.8
177.16360	11.8
179.14290	3.4
183.11632	2.8
185.13246	7.0
187.14787	12.7
188.14969	0.9
189.16362	12.8
191.17972	3.1
197.13336	1.1
198.13863	1.0
199.14830	6.3
201.16370	9.7
203.17920	12.7
205.15851	2.2
207.17392	1.1
211.14742	2.2
213.16351	8.4
215.17928	14.5
217.19455	3.9
219.17429	4.0
221.15387	1.4
223.14748	1.0
225.16371	2.1
227.17914	7.4
229.19450	10.0
231.17479	2.0
231.21066	4.1
236.15317	1.1
239.17955	2.2
241.19475	6.0
243.21030	7.4
253.19516	3.3
255.21001	20.1
257.22568	4.5
259.20493	2.0
267.21121	3.2
269.22568	6.7
271.20596	1.9
281.22870	1.2
285.22244	6.2
295.24243	3.5
307.24121	1.2
321.25684	1.9
323.62823	1.0
391.33524	22.6
392.33862	2.7
409.26556	11.1
409.34637	100.0
410.34915	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70295	0.8
53.03936	3.8
55.01857	6.9
55.05505	11.5
57.03433	4.5
57.06821	1.0
57.07070	14.5
67.05495	3.1
69.07058	25.4
69.55203	8.3
71.08623	9.7
76.13501	0.9
79.05475	1.1
81.03406	9.6
81.07053	5.2
83.08607	18.8
85.10173	5.0
93.07056	1.8
94.09283	0.9
95.08612	6.9
97.10159	10.7
98.20737	1.4
105.07011	2.2
107.08569	3.6
109.02859	25.1
109.10136	4.6
111.11691	5.3
113.05965	1.1
113.09584	1.4
115.03923	9.5
121.10130	1.9
123.04388	2.2
123.08067	1.6
123.11697	2.8
125.13228	3.8
127.03899	100.0
128.04216	1.4
131.08556	1.1
135.11646	1.7
137.13234	1.4
139.14803	1.3
141.05449	6.0
145.04871	1.2
145.10069	1.7
147.11694	1.6
149.09613	1.1
149.13229	1.1
151.11131	1.0
155.06953	1.7
159.11519	0.9
168.06615	1.2
169.08597	5.6
175.14818	1.0
177.09129	1.7
183.10138	15.7
191.17821	0.9
195.10141	5.6
197.11714	7.4
209.11717	3.7
211.13248	4.1
223.13254	3.3
225.14874	4.7
237.14799	2.7
239.16393	7.5
251.16423	4.0
253.17921	8.6
265.17969	7.8
267.19583	4.3
275.35361	1.0
279.19543	4.3
281.21219	2.8
293.20892	1.9
295.22556	3.3
307.22559	3.1
309.24194	3.7
321.24203	3.4
323.25775	1.1
335.25879	2.5
391.31973	57.2
392.32410	4.8
409.33163	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	409.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
54.55228	1.5
55.01870	2.3
55.05498	23.0
57.03420	1.5
57.07068	8.8
59.05001	2.3
65.03915	2.9
67.05495	43.5
69.03413	6.4
69.07059	22.2
70.58765	2.6
71.04955	3.3
75.56059	1.4
79.05475	25.3
79.05898	2.5
81.03399	3.2
81.07042	58.4
83.04959	6.0
83.08592	9.3
85.06527	6.2
91.05469	41.4
93.07027	61.9
95.04954	46.0
95.08596	63.3
97.06517	12.9
97.10137	6.0
101.34620	1.9
103.05482	3.5
105.04523	1.6
105.07015	100.0
107.07851	2.9
107.08577	51.4
109.06489	13.1
109.10136	36.5
111.04472	2.2
111.08054	5.4
115.05437	4.5
116.06232	1.8
117.07010	19.3
119.08565	74.0
121.06470	16.7
121.10123	37.5
122.07258	1.8
123.08041	20.0
123.11674	12.6
125.09616	2.5
128.06221	3.4
129.06998	8.8
130.07745	5.4
131.08546	42.7
132.09328	2.5
133.06474	4.7
133.10107	39.0
135.08037	10.9
135.11674	23.1
137.05971	2.6
137.09579	9.4
137.13234	4.7
139.11162	2.2
141.06902	3.8
142.07756	13.0
143.08522	19.4
144.09285	4.8
145.06444	3.7
145.10095	58.6
147.07991	11.6
147.11665	41.3
149.09602	7.9
149.13210	13.3
151.07491	23.1
151.11116	2.0
153.09082	2.8
154.07739	3.0
155.08540	7.4
156.09366	8.2
157.10106	26.3
158.10765	3.0
159.08037	4.8
159.11674	34.1
161.09607	6.7
161.13235	15.0
163.07590	1.8
163.11195	5.6
163.14799	10.3
165.09079	27.2
167.08536	5.0
168.09332	3.7
169.10109	15.9
170.10828	3.7
171.11659	17.7
173.09569	4.9
173.11761	3.7
173.13254	18.6
175.11127	17.1
175.14787	14.1
177.09106	5.0
177.16312	8.9
180.64366	1.5
181.10115	6.3
181.12253	5.0
182.10890	2.2
183.11656	15.1
185.13228	10.8
186.13716	1.7
187.11145	6.3
187.14790	55.7
188.15114	2.9
189.12743	8.3
189.16342	14.0
191.14375	3.3
191.17963	10.8
193.10130	1.6
195.11685	6.3
196.12410	2.3
197.13286	7.9
199.11122	2.8
199.14822	9.8
201.12721	8.6
201.16335	27.2
203.10750	1.8
203.14244	11.9
203.17967	20.0
205.15843	5.7
207.11816	2.1
207.13776	6.4
207.17496	3.8
209.13170	4.7
209.15353	4.9
211.11244	2.1
211.14754	7.9
213.12675	2.0
213.16431	5.2
215.14172	3.0
215.17969	7.3
217.19464	2.5
219.11612	2.1
219.13745	4.2
219.17493	2.1
221.13388	2.8
221.15327	62.0
223.14850	2.6
225.16582	2.6
227.17883	5.2
229.15874	5.1
229.19395	5.0
231.13980	2.9
233.15385	2.1
234.16107	8.8
237.16296	2.0
239.17845	2.0
241.19420	3.6
249.16479	1.9
251.17906	2.5
253.16016	2.0
253.19521	3.2
255.21071	7.4
257.22818	2.0
267.21140	3.6
269.19043	1.8
269.22559	3.0
286.19272	3.2
287.20013	8.8
300.20935	4.0
309.65817	1.8
329.20978	6.2
335.19986	2.0
351.30341	2.1
373.25116	3.1
391.26361	7.8
391.33777	13.6
408.79230	1.6
409.27167	68.9
409.34576	68.1
410.27448	2.7
432.20428	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
53.66712	1.8
55.01856	3.1
55.05500	21.9
57.03426	2.2
57.07056	10.4
59.04996	4.4
65.03925	3.9
67.05493	39.4
69.03416	9.0
69.07053	19.0
69.30317	10.4
69.30745	7.4
71.04974	3.8
71.08619	2.6
77.03873	2.0
79.05476	25.7
81.03407	3.4
81.07044	67.5
82.07392	1.9
83.04968	6.4
83.08611	11.9
85.06516	7.4
86.09698	2.4
89.06005	2.0
91.05470	42.3
93.07028	66.4
95.04956	41.5
95.08591	72.0
97.06503	11.0
97.10156	6.0
103.05455	2.9
105.04538	2.5
105.07014	100.0
107.04941	3.7
107.08573	55.1
109.06516	12.0
109.10133	38.7
111.08073	6.6
115.05451	3.1
117.06989	14.9
119.04920	2.6
119.08563	80.8
121.06485	16.5
121.10127	41.8
123.08044	19.0
123.11684	15.1
125.09598	2.7
127.11172	2.8
128.06223	7.2
129.07001	7.8
130.07794	4.5
131.08543	36.8
133.06485	5.2
133.08589	2.7
133.10115	37.0
135.08034	13.6
135.11665	25.4
137.09584	8.6
137.13245	5.8
139.11159	3.5
141.06909	2.7
142.07774	11.1
143.08527	21.1
144.09262	4.9
145.06456	3.3
145.10095	63.6
146.10760	1.6
147.08023	16.0
147.11670	49.1
149.09645	12.0
149.13268	14.7
151.07512	23.9
151.11165	1.7
153.06940	1.9
153.09074	2.5
155.08528	8.8
156.09320	4.8
157.08907	3.0
157.10109	27.7
158.10800	2.8
159.08038	7.0
159.11641	27.2
161.09624	10.2
161.13240	14.5
163.11096	8.6
163.14813	15.2
165.09088	31.2
165.12758	2.3
167.08525	4.3
168.09322	7.0
169.10107	16.3
171.11678	16.5
172.12419	2.6
173.09651	5.3
173.11766	4.3
173.13257	18.0
175.11176	21.9
175.14751	13.7
176.37613	1.8
177.09048	4.7
177.12749	2.9
177.16367	12.3
179.08548	4.2
179.14322	2.2
181.10110	5.4
181.12291	4.2
183.11656	14.5
185.09564	3.9
185.13228	14.0
186.14096	1.9
187.11235	5.2
187.14780	38.2
189.12692	6.0
189.16339	16.8
191.14337	3.8
191.17947	6.1
195.11685	5.1
197.09511	1.8
197.13257	5.6
199.11119	2.9
199.14828	9.0
201.12744	9.2
201.16342	19.9
203.14305	13.6
203.17937	17.7
205.15778	9.5
207.11903	2.3
207.13750	10.2
207.17377	1.9
209.13194	4.5
209.15172	3.3
211.14810	10.1
213.12825	3.0
213.16431	7.2
215.14290	3.6
215.17818	8.8
217.19464	4.6
219.13763	2.3
221.13315	3.2
221.15318	65.8
222.15698	2.1
223.14886	3.6
224.15628	1.8
225.16380	5.1
227.14365	2.2
227.17950	5.2
229.15833	6.2
229.19525	6.0
231.17279	2.7
233.15323	4.3
233.19107	2.0
234.16138	10.6
235.14792	2.9
237.14713	2.4
239.14531	2.5
241.15944	2.7
241.19513	5.3
245.19000	2.8
253.15701	2.6
253.19432	3.3
255.21031	7.0
257.22702	2.7
259.20569	2.9
267.21045	1.9
269.22562	4.7
281.22595	2.3
285.21933	3.0
286.19232	4.7
287.20120	10.8
291.20837	1.9
299.19965	2.4
300.20792	3.4
301.21558	1.9
312.20676	3.0
313.21844	2.3
317.21048	2.5
321.25473	2.6
329.21082	6.8
345.13034	2.0
353.21060	3.2
373.25192	2.1
391.26215	6.7
391.33743	14.9
393.31644	2.4
409.27136	75.6
409.34592	82.9
410.27274	7.5
420.36404	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.05291	2.1
55.05503	22.7
57.03424	3.5
57.07061	9.5
57.07302	2.1
59.04975	3.7
67.05492	52.0
69.03416	6.3
69.07063	18.6
70.78143	4.2
71.04977	4.4
71.08611	2.5
76.68932	1.5
79.05480	25.6
80.30138	1.5
81.03417	2.6
81.07043	57.0
83.04968	7.2
83.08614	11.5
85.06535	6.5
91.05467	37.3
93.07029	66.1
95.04953	40.4
95.08591	57.5
97.06527	9.6
97.10163	4.1
98.68732	2.0
99.08117	1.8
103.05469	3.1
105.07014	100.0
107.04945	3.7
107.08578	50.6
109.06485	13.0
109.09441	3.9
109.10136	43.7
110.10539	2.0
111.08044	3.6
113.45351	1.9
115.05536	2.8
117.06990	12.1
119.04929	2.4
119.08561	72.8
121.06461	14.7
121.10126	33.6
123.08041	15.7
123.11678	8.7
125.09553	2.8
127.11222	2.8
128.06233	2.2
129.06982	9.8
130.07750	3.5
131.08546	32.7
133.06476	4.8
133.10106	37.0
135.07999	12.9
135.11661	27.5
137.09560	8.9
137.13232	7.0
141.06921	2.9
142.07779	8.8
143.06818	1.9
143.08560	18.9
144.09282	3.9
145.06407	2.8
145.10100	43.5
147.08020	13.6
147.11668	49.8
149.09590	10.1
149.13179	16.1
149.46886	1.8
150.10471	2.1
151.07558	13.5
155.08531	7.5
156.09320	5.2
157.10100	19.4
158.10841	2.3
159.08011	4.3
159.11664	21.6
161.09601	8.5
161.13261	14.4
163.11166	5.9
163.14786	13.1
165.09082	29.2
165.12712	3.6
167.08484	2.5
168.09268	3.4
169.10138	10.5
170.10883	3.2
171.11658	11.7
173.09654	4.5
173.11830	3.4
173.13251	15.8
175.11153	26.2
175.14728	10.4
177.09087	5.1
177.12842	2.4
177.16394	11.3
178.09843	3.0
181.10033	4.9
181.12207	2.3
182.10913	2.6
183.11723	13.2
185.13272	8.6
187.11215	4.8
187.14795	19.6
189.12775	6.6
189.16388	12.7
191.14247	2.3
191.17932	7.1
193.15837	2.3
194.11018	2.5
195.11739	3.8
197.13257	6.3
199.11203	3.3
199.14816	6.0
201.12729	7.5
201.16389	9.5
203.14296	10.9
203.17918	20.1
205.15865	9.2
207.11963	2.5
207.13806	6.9
209.13315	3.7
209.15263	4.2
211.11157	2.1
211.14793	5.0
213.12775	3.7
213.16399	6.5
215.17917	8.6
217.19359	2.6
219.13914	5.1
219.17445	2.2
221.13304	2.3
221.15308	66.7
222.15671	2.2
225.16310	3.2
227.17897	3.7
229.15759	5.0
229.19505	3.1
231.17409	3.4
233.15439	4.2
233.19012	2.5
234.16118	12.8
239.17958	2.3
241.19585	3.0
253.15877	2.5
253.19450	3.3
255.21112	3.7
259.20306	1.9
267.21036	4.7
269.22675	4.6
286.19040	2.5
287.19861	3.9
299.19986	2.7
300.20663	5.0
329.21164	3.8
371.34021	2.0
391.26077	5.6
391.34003	9.8
391.37878	2.2
409.26877	46.7
409.34583	66.5
410.27292	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
55.01850	2.1
55.05506	16.0
57.03430	8.8
57.07051	4.5
57.77369	1.0
59.04973	4.4
60.56828	1.0
65.03922	1.6
67.05494	100.0
68.05808	1.4
69.07056	14.4
70.93548	3.0
71.01334	2.5
71.04986	6.0
74.33564	1.2
79.05477	24.9
81.03400	3.1
81.07045	47.6
82.07378	1.1
83.04965	5.5
83.08617	11.6
83.14391	1.2
85.02918	1.7
85.06519	5.8
90.96275	1.3
91.05467	20.0
92.05804	1.2
93.07034	41.0
95.04948	5.8
95.08594	38.8
97.06522	6.3
97.10157	10.0
99.04438	1.4
99.08069	1.7
102.97754	1.2
105.07014	16.5
107.08576	34.6
109.06499	2.9
109.10138	75.8
111.08046	2.7
111.11648	1.3
117.06997	5.2
119.08559	20.6
121.06490	1.9
121.10126	16.1
122.34081	1.1
123.08038	1.9
123.11691	8.1
125.09621	2.5
129.06989	2.6
130.07753	1.6
131.08560	10.5
133.10112	14.7
135.08070	2.1
135.11670	42.9
137.09592	3.0
137.13226	11.6
143.08537	5.3
144.09251	1.3
145.10112	18.0
147.11664	11.8
149.09621	2.3
149.13202	9.3
151.14807	1.8
155.08488	1.2
155.10605	2.9
157.10110	5.0
159.11642	8.1
161.13219	6.2
163.11160	7.0
163.14778	6.0
167.07152	1.5
169.10054	2.1
171.11728	6.5
173.09618	1.3
173.10106	1.5
173.11729	22.5
173.13246	8.4
175.11189	1.4
175.14830	5.9
177.16418	4.1
181.12247	7.6
183.11620	2.8
185.13232	4.8
187.11192	1.6
187.14809	10.8
189.12817	2.3
189.16370	7.7
191.14214	2.0
191.17886	4.4
197.13194	2.7
199.14828	5.2
201.16321	7.0
203.17931	4.1
205.15666	1.1
205.19594	2.6
211.14894	2.4
213.16350	5.7
213.40265	1.2
215.17949	3.2
217.15971	1.9
217.19528	2.2
219.17329	1.6
225.16396	2.5
227.17926	2.5
229.19449	4.0
231.20995	1.6
239.17953	2.5
241.19530	3.2
243.21178	1.4
253.19615	2.6
255.20979	2.2
257.22641	1.7
269.22891	1.5
285.21765	1.6
309.25830	1.7
309.95236	1.3
351.30487	1.6
391.33612	5.2
409.25891	73.1
409.34735	30.5
410.26312	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.05487	0.5
61.02890	0.2
63.32747	0.2
67.05481	1.2
69.03414	0.4
69.07052	0.8
69.66035	1.9
71.04990	0.3
75.56560	0.2
77.03923	0.3
78.04717	1.6
79.05476	1.5
81.03400	0.6
81.07034	1.9
83.04972	0.5
83.08597	0.3
85.02883	0.7
85.06513	0.7
91.05466	1.8
93.07043	1.9
95.04955	0.7
95.08593	2.1
97.06514	0.6
97.10157	0.3
98.21407	0.3
99.08059	0.8
103.05436	0.4
105.07011	2.2
106.04152	0.8
107.04935	1.1
107.08572	1.8
109.02832	0.4
109.06489	0.5
109.10143	1.6
109.77817	0.2
111.04461	0.3
111.08070	0.7
117.07011	0.3
119.04948	0.3
119.08570	2.1
121.06487	1.2
121.10120	1.1
122.03539	0.2
123.04424	3.5
123.08079	0.4
123.11713	0.5
124.05233	1.4
127.03866	0.4
128.75485	0.3
131.08562	0.9
132.52457	0.2
133.06526	0.7
133.10161	1.2
134.03622	0.3
135.08035	0.7
135.11661	0.6
137.05940	0.7
137.09619	0.4
137.13177	0.3
139.07484	0.3
142.20667	0.3
143.08588	0.6
145.10106	1.3
147.11676	0.6
149.05952	0.6
149.09602	0.3
149.13164	0.3
151.03888	1.0
151.70486	0.2
152.04692	1.2
153.05467	0.6
155.08580	0.3
157.10124	0.9
159.11653	1.2
160.83606	0.3
161.05962	0.6
161.09602	0.6
161.13216	0.4
163.11162	0.2
165.09172	0.3
166.06264	0.3
167.07021	100.0
168.07385	2.7
169.10170	0.3
171.11665	0.6
173.09555	0.5
173.13234	0.6
175.14780	0.4
177.12715	0.5
181.08557	0.8
183.11656	0.6
185.13260	0.7
187.14804	1.0
189.16353	0.5
191.14391	0.3
193.08594	3.1
197.13286	0.3
199.14839	0.4
201.16339	0.5
203.62978	0.3
205.15874	0.3
211.09610	2.8
211.14830	0.4
211.20581	0.4
215.14330	0.3
241.19269	0.3
247.16908	0.6
264.23267	0.4
282.08817	0.3
341.26440	0.3
373.28677	0.4
391.30148	1.1
402.57471	0.3
409.17001	0.3
409.22324	0.4
409.31027	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05499	0.5
61.55542	0.2
67.05489	0.9
69.03396	0.6
69.07040	1.1
71.04979	0.5
71.62876	0.5
74.59044	0.3
78.04678	1.5
79.05471	1.3
81.03400	0.7
81.07045	1.4
83.04942	0.6
85.06524	0.6
89.48026	0.3
89.67710	0.2
91.05469	1.6
93.07016	1.3
95.04952	0.8
95.08586	1.6
97.02854	0.5
97.06480	0.4
105.06992	1.1
106.04148	0.6
107.04918	1.3
107.08555	1.1
109.02824	0.7
109.06539	0.5
109.10127	1.0
111.04380	0.3
119.08522	0.9
121.06474	0.8
121.10117	0.6
123.04412	4.0
123.07989	0.4
123.11709	0.5
123.14285	0.3
124.05199	1.6
131.08559	0.4
133.06439	0.8
133.10097	0.4
135.11661	0.4
137.05922	0.6
137.13176	0.4
145.10057	0.5
146.83064	0.3
147.11659	0.3
149.05960	0.6
151.03883	0.6
152.04625	1.4
153.05450	0.7
159.11717	0.4
161.05962	0.8
163.07602	0.3
167.07004	100.0
168.07353	3.0
173.13129	0.7
176.10809	0.3
179.07021	0.8
181.08507	0.8
183.06464	0.4
185.13446	0.3
187.11169	0.4
187.14731	0.4
193.08549	2.6
211.09613	2.8
211.20512	0.5
229.12236	0.5
247.13298	0.4
247.16876	0.3
352.66333	0.3
409.31058	0.7
410.17841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01857	0.5
55.05495	0.3
65.03929	0.2
66.04716	0.2
67.05482	0.5
67.53373	0.2
69.03410	0.3
69.07062	0.4
69.64718	1.1
71.04985	0.2
78.04684	1.3
79.05479	1.2
81.03392	0.5
81.07029	0.9
85.02879	0.4
91.05461	0.8
93.07031	0.9
94.04156	0.3
95.04951	0.8
95.08601	0.6
97.06505	0.2
100.88329	0.2
103.05441	0.4
104.90683	0.2
105.07019	1.1
106.04131	0.8
107.04977	1.3
107.08553	0.4
109.02825	0.4
109.06480	0.2
109.10110	0.5
119.08568	0.6
121.06481	0.8
121.10100	0.4
122.03639	0.2
123.04422	3.5
123.11703	0.2
124.05194	1.4
125.09528	0.2
131.08542	0.3
133.06461	0.7
133.10109	0.4
135.11658	0.2
137.05934	0.4
145.10095	0.3
147.11661	0.3
149.05925	0.9
151.03879	0.7
152.04686	1.4
152.13148	0.2
152.88431	0.2
153.05435	0.7
157.10107	0.4
161.05959	0.8
166.06194	0.2
167.07014	100.0
168.07358	2.6
179.06932	0.3
181.08548	0.7
193.08594	3.4
211.09641	2.7
229.14043	0.2
230.14638	0.4
232.52931	0.2
247.16905	0.3
288.11618	0.2
296.97992	0.2
377.37585	0.2
386.06216	0.2
424.18225	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46473	0.3
53.03924	0.3
53.50963	0.2
55.01847	0.3
55.05506	0.4
67.05473	0.7
69.03404	0.5
69.07038	0.7
69.80296	0.9
69.80709	0.7
78.04695	1.1
79.05484	1.4
79.35928	0.2
81.03382	0.4
81.07032	1.0
83.04970	0.3
91.05447	0.9
93.07038	1.3
95.04932	0.7
95.08582	1.0
97.06464	0.2
103.05447	0.6
105.07021	1.4
106.04153	1.0
107.04925	1.4
107.08569	0.7
109.02865	0.5
109.06494	0.5
109.10107	0.7
111.04433	0.3
111.08090	0.2
115.05391	0.3
119.08573	0.8
121.06451	0.7
121.10088	0.3
123.04408	3.9
123.08101	0.4
124.05225	1.4
133.06467	0.6
135.04358	0.5
135.08090	0.3
135.11674	0.5
137.05957	1.0
138.06279	0.4
139.07494	0.3
145.10100	0.4
145.87177	0.2
149.05917	0.8
151.03848	0.8
151.07587	0.3
152.04657	1.5
153.05440	0.6
159.11610	0.3
161.05951	0.7
164.15266	0.3
165.05359	0.3
165.09024	0.3
167.07010	100.0
168.07361	2.6
172.05098	0.5
179.07028	0.4
181.03317	0.2
181.04884	0.4
181.08496	1.1
186.34402	0.2
193.08607	2.6
199.03908	0.5
211.09633	3.2
218.05496	0.5
298.62213	0.2
321.40256	0.3
409.17087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
55.05489	0.9
57.03429	1.4
59.05013	0.3
64.91726	0.3
66.54532	0.3
67.05489	0.9
69.03419	1.9
69.07056	1.2
69.59588	0.7
69.60003	1.3
71.04977	1.6
74.19617	0.3
79.05471	0.8
81.03419	1.3
81.07048	2.0
83.04955	1.1
83.08591	0.4
84.04483	0.4
85.02885	3.2
85.06524	1.0
86.09673	0.4
87.04467	0.3
91.05452	0.7
93.07036	1.5
95.04926	1.7
95.08581	1.8
97.02869	1.2
97.06499	0.7
97.10140	0.5
99.04440	1.4
99.08071	0.5
101.06027	0.4
103.03944	0.3
105.07012	1.0
107.08565	1.5
109.02856	0.9
109.06503	0.8
109.10142	1.3
111.04446	0.5
111.08037	0.5
113.06004	0.5
117.05502	0.7
118.16142	0.2
119.08572	1.2
121.10131	1.0
123.08067	0.7
123.11687	0.4
125.06020	0.4
125.09604	1.2
127.03886	1.2
127.07568	0.4
131.06996	2.2
131.08536	0.4
133.06493	0.3
133.10109	1.1
135.08031	0.6
135.11694	0.8
137.06000	0.4
137.09543	0.3
141.05450	0.6
141.09061	0.6
143.07039	0.3
145.04956	0.5
145.08606	0.7
145.10057	0.3
146.06018	0.6
147.11681	0.5
149.09564	0.6
149.13258	0.4
151.07521	0.4
153.01799	0.5
153.12733	0.4
165.09181	0.4
165.12671	0.3
171.11685	0.3
175.08662	1.1
175.11047	0.4
175.14703	0.3
177.09203	0.3
188.03787	1.3
189.04030	0.8
189.12807	0.3
193.15869	0.7
201.06544	4.8
201.08232	0.4
211.08597	0.3
211.17024	0.6
215.08253	0.4
217.15819	0.3
221.05029	0.4
229.06111	0.6
239.08148	0.5
243.07581	0.7
247.07103	8.5
259.11063	0.3
261.10916	0.3
262.11087	0.8
271.07083	0.7
271.10733	0.5
277.03406	2.3
285.08618	1.7
289.08206	1.1
297.08554	0.5
303.09503	0.3
313.08102	1.7
315.09964	0.4
319.22736	1.3
323.10229	0.3
331.09171	2.1
333.10913	0.5
341.11520	0.3
349.09995	1.9
359.08731	0.8
367.11282	0.4
373.13919	0.5
377.09634	1.3
391.11273	1.0
409.18265	100.0
410.18289	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	409.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
55.05499	5.3
56.05844	1.5
57.03425	9.1
58.99573	2.4
59.04985	1.2
69.03418	1.3
70.67107	1.4
70.67481	1.0
71.04973	3.2
73.22889	0.6
76.02210	1.2
76.03969	0.7
78.01802	1.0
79.24670	0.6
81.03398	2.1
81.07051	1.4
82.07348	0.6
83.08612	7.3
84.04489	5.3
84.08946	2.9
85.02876	1.3
85.04848	1.5
86.99038	1.0
88.02195	0.9
89.06031	0.8
97.02876	2.5
97.06528	0.8
98.09682	1.0
99.04442	2.1
99.08085	1.0
105.06998	0.6
107.19750	0.6
109.02843	1.2
116.01659	10.2
117.01992	2.1
117.05483	5.2
118.01223	1.8
127.03894	2.4
129.05424	0.6
129.06609	0.7
130.04964	1.0
131.05359	0.8
131.07013	13.3
135.32990	0.6
142.03185	0.6
143.07040	1.0
144.01108	4.0
145.01434	1.7
145.04892	0.8
157.06685	0.7
157.10284	0.8
159.08403	3.7
160.08710	2.7
162.02193	15.1
163.02525	6.9
164.01721	1.7
197.08185	0.6
198.07875	1.0
199.08698	1.5
211.08688	3.0
211.10413	0.6
212.09264	1.0
213.10204	1.8
215.11765	1.3
217.09795	1.9
225.06529	0.9
225.10106	3.6
226.10834	0.9
227.08067	0.7
229.09650	2.4
239.08090	4.8
239.11699	4.0
240.08893	2.5
241.09683	3.6
242.10349	1.1
243.11255	5.0
247.11546	0.7
253.09726	4.9
257.09204	1.6
257.12955	1.0
259.10812	4.5
260.11353	1.0
261.10822	1.8
262.11047	8.0
263.11411	8.1
264.10782	0.8
267.07663	2.0
267.11273	4.3
268.08417	5.7
269.09125	0.9
269.12778	1.0
271.10721	25.2
272.11273	1.4
273.12296	1.8
275.10654	1.4
277.11774	2.4
279.13635	1.5
280.13971	4.4
281.09042	1.1
285.08688	2.2
285.12314	3.8
289.11734	1.8
295.10739	4.2
299.10278	1.1
300.11063	1.7
301.11993	0.8
303.13266	1.3
313.11722	6.0
317.11273	2.2
323.10220	7.3
326.08948	0.9
327.13345	2.5
331.12546	0.7
334.15298	2.8
335.12375	3.3
341.11243	13.1
345.14371	2.3
355.12851	4.4
359.12299	2.3
373.13922	14.3
374.14117	0.8
391.14929	19.2
392.15427	1.4
409.15976	100.0
410.16312	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	409.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.9
55.01857	1.0
57.03421	3.2
60.16305	0.7
61.02913	1.0
67.05508	1.0
69.03069	1.6
69.03420	21.8
70.06575	2.0
71.04975	3.3
71.61162	1.5
73.02926	2.0
79.05482	1.0
81.02973	1.2
81.03405	13.0
81.07025	1.0
81.80830	0.8
82.03738	1.0
83.04953	1.9
85.02892	32.7
87.04468	1.6
92.55428	0.9
95.01316	42.5
97.02890	8.4
98.97559	1.0
99.04443	3.8
101.05991	1.6
109.02864	15.6
113.02351	100.0
113.05976	2.0
114.02650	1.5
114.05504	1.5
116.58907	0.9
117.05458	3.5
121.06473	1.0
123.04424	1.2
125.02320	2.7
127.03900	18.7
132.95810	1.3
135.04344	1.2
145.04936	3.3
153.01834	4.3
153.02913	1.1
153.07556	2.9
163.03889	1.5
166.07227	5.2
167.07039	9.2
168.07347	7.0
169.05003	1.0
177.05400	1.0
184.04953	1.0
184.09715	1.3
193.08614	0.9
211.09645	1.9
212.09892	0.9
221.04547	1.8
229.04970	1.3
229.10648	1.0
232.05942	1.2
234.98993	1.8
237.02890	1.2
239.05504	9.7
257.06512	15.2
295.04645	0.9
342.09879	0.9
409.09100	3.1
409.14902	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19548	2.6
56.96563	2.4
57.03427	4.7
58.99875	2.9
61.02934	3.3
69.03428	10.5
71.61953	5.7
76.89487	2.4
77.00909	3.1
81.03411	3.3
82.99844	3.2
85.02900	17.4
87.50826	2.9
97.02893	7.1
101.00861	18.8
103.02456	3.4
103.31032	2.6
109.02829	3.7
111.98728	2.8
113.00851	3.0
115.02435	7.5
117.03041	2.3
119.01909	69.0
120.01978	2.6
121.01649	5.2
127.02409	4.2
127.03889	7.5
129.03947	2.8
131.01892	40.0
133.03459	30.3
137.02951	12.8
139.02411	2.5
143.01878	51.0
145.03447	51.0
145.04654	3.7
146.03564	2.8
147.05042	5.5
149.02942	6.3
151.04504	4.4
153.01730	3.7
155.01891	31.7
157.03456	23.5
159.05002	7.0
161.02943	100.0
162.03085	2.8
163.02673	2.5
163.04591	11.8
168.04956	3.0
168.99802	7.6
169.03413	17.7
171.01421	12.6
171.05016	7.4
173.02946	69.8
174.03178	2.6
175.03012	3.5
175.04527	12.8
181.03587	3.8
183.01408	4.3
183.04991	6.0
184.04689	4.9
185.02927	20.4
187.00887	17.9
187.04488	26.3
189.02351	22.4
189.03748	2.1
191.04073	12.6
193.00061	2.8
197.02943	10.4
197.06613	2.5
199.00838	11.7
199.04529	10.3
201.02406	9.7
201.06105	4.8
203.03947	20.8
203.07452	2.4
205.05533	3.8
207.03465	4.0
211.00937	3.6
211.04527	14.7
213.02426	6.0
213.06087	4.4
215.00356	13.1
215.03993	8.1
217.01907	27.4
219.03508	5.7
221.05043	15.8
223.04517	6.7
223.06578	6.0
229.01967	6.6
229.05603	4.0
231.03490	31.2
232.03694	3.0
233.05103	3.8
237.02643	4.3
239.03326	4.9
241.05690	3.9
243.03499	4.8
245.05054	26.1
247.03047	9.3
247.06682	12.9
249.04623	4.6
253.01973	3.0
257.04648	3.4
259.02985	13.6
259.06589	11.5
261.04703	4.3
261.08170	2.8
263.06149	6.8
265.07684	8.9
271.06506	8.1
273.04700	2.9
275.02414	7.6
275.06036	5.1
275.09460	2.8
277.07684	11.6
283.06750	2.7
289.03983	37.1
289.07462	4.5
290.04648	2.6
301.04083	16.8
301.07104	3.3
303.09116	21.7
305.07193	9.5
307.05136	54.6
307.08466	2.8
308.05325	3.9
319.05194	18.3
330.06757	4.5
333.06750	7.4
342.06265	3.1
347.08215	7.8
349.05939	6.6
349.09793	28.6
367.10883	40.6
373.06052	7.1
374.02789	2.7
377.05582	4.2
391.06934	15.2
409.12112	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	409.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.5
55.01849	5.3
56.96548	4.8
57.03415	9.4
58.99844	3.5
61.02906	4.3
65.99167	2.1
69.03411	21.9
69.07031	3.6
70.06571	7.8
71.01354	2.5
71.04975	3.5
71.60946	3.9
72.08116	2.3
73.02889	9.1
77.00877	4.7
77.49381	2.3
79.01814	3.6
79.05442	2.2
81.03440	13.1
82.99845	4.1
83.04958	2.7
85.02893	40.5
85.06553	3.0
87.04444	3.4
94.99864	2.9
95.04956	3.9
97.02870	22.8
98.97560	11.5
99.04446	7.0
99.91700	2.8
101.00865	27.3
103.02414	3.3
105.00324	5.3
107.04909	2.7
109.01428	2.6
109.02854	5.6
111.04382	4.6
112.07563	5.1
113.00848	6.4
113.02348	3.4
115.02396	7.3
116.98552	6.3
117.03944	2.9
119.01900	100.0
121.01665	5.9
121.02805	3.0
123.04369	8.3
125.02312	5.6
127.02388	7.0
127.03878	21.6
128.98538	3.0
129.03969	5.5
131.01878	47.8
133.01706	2.7
133.03448	31.8
134.99548	3.3
135.04231	2.2
136.07526	2.8
136.72646	2.6
137.02963	16.8
137.05943	5.3
138.05405	2.7
139.02396	2.5
139.03844	5.0
140.07042	5.7
142.03465	3.2
143.01866	58.9
145.03441	78.3
145.04893	7.8
146.03535	4.5
146.99631	2.6
147.01332	6.6
147.03128	6.5
147.05051	12.8
149.02924	9.7
150.05373	2.8
150.59106	2.4
151.04672	3.5
153.01811	32.8
154.02106	7.0
154.03432	2.7
155.01862	37.8
157.03445	30.7
158.99574	2.9
159.03143	3.5
159.05028	12.5
159.06496	2.5
160.02109	3.1
161.02934	98.1
162.03020	2.9
163.02646	3.1
163.04475	22.4
165.02640	2.4
167.01878	4.7
167.03319	2.3
167.07031	6.6
168.05063	4.4
168.07431	2.6
168.99750	7.2
169.03438	35.7
171.01344	12.3
171.02701	3.1
171.05063	14.7
173.01489	3.5
173.02931	82.2
173.06747	3.1
174.03036	4.1
175.02795	4.9
175.04469	20.4
177.00574	3.6
177.05960	2.8
179.01846	5.1
181.03450	7.0
183.01385	4.2
183.04999	8.6
184.04515	5.6
185.02896	36.8
187.00957	13.4
187.02803	4.0
187.04468	47.6
187.06143	2.5
189.02408	23.2
189.04169	4.3
189.06007	15.2
191.02461	3.2
191.03949	15.3
192.99925	3.1
193.03386	2.9
195.01468	2.6
195.05037	5.5
196.04544	3.6
196.36235	2.4
197.02859	16.6
197.06602	2.9
199.00826	10.5
199.04480	14.3
199.08057	3.0
199.93388	2.6
201.02415	9.2
201.04305	3.8
201.06036	12.5
201.07803	4.0
203.03964	32.1
203.05692	3.7
205.03679	5.4
205.05553	6.6
207.03481	7.6
209.02931	4.5
211.00923	4.5
211.04456	28.1
213.02370	13.6
213.06009	11.2
213.07880	5.0
215.00386	11.1
215.03969	10.2
217.01881	26.8
217.05545	6.0
219.01616	2.9
219.03468	8.0
219.07034	4.6
221.03214	3.1
221.05052	34.0
222.05618	2.5
223.04594	13.6
223.06667	8.8
225.02382	4.5
225.06157	3.7
227.03998	5.2
229.01872	7.9
229.05591	11.6
231.03490	26.9
231.06943	5.0
233.04913	5.7
235.06538	7.8
237.02516	5.7
237.05934	3.5
237.56357	3.8
238.04021	2.8
238.06329	4.8
238.08549	8.0
238.58655	6.8
239.04225	3.8
241.01839	2.8
243.03468	5.0
243.07140	5.2
243.82849	2.4
245.01297	2.9
245.04982	47.0
246.05286	3.1
247.02757	5.5
247.04976	3.4
247.06717	29.4
248.03433	3.0
249.04503	5.7
249.08049	6.6
253.05376	3.0
253.07739	3.6
254.37927	2.6
257.04666	6.4
259.02966	11.5
259.06586	34.5
261.04550	4.5
261.08038	9.2
263.06229	14.3
265.07697	23.7
271.06540	20.5
273.04755	4.3
273.08102	3.7
275.02353	8.3
275.05850	6.1
275.09698	5.4
277.04639	3.4
277.07645	26.0
279.09225	3.0
283.06549	8.6
289.04022	50.6
289.07605	8.0
291.09073	14.0
301.03992	23.7
303.08917	47.3
304.09271	4.4
305.07089	15.9
307.05063	51.8
307.08521	5.9
308.05215	4.1
315.05356	2.8
317.03348	4.8
319.05045	17.7
319.08423	3.9
321.09482	2.9
321.12219	12.3
327.58698	4.0
329.07016	7.7
330.06683	6.6
331.08786	3.2
333.06534	10.5
337.05804	4.3
347.08188	14.2
349.05914	8.9
349.09717	62.2
350.09955	3.2
365.09018	4.4
367.10742	99.3
368.11069	2.9
373.05887	15.6
377.05453	3.8
390.12238	3.9
391.07004	27.9
391.11209	3.7
409.12170	70.0
410.11261	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	408.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.6
57.03424	1.5
64.13391	0.9
67.05495	5.1
69.03421	2.9
69.07051	9.1
69.43179	2.5
69.43600	6.2
71.04977	4.1
79.05466	3.3
81.03405	1.2
81.07047	10.6
82.34993	0.9
83.04956	0.9
83.08609	4.0
85.02888	5.8
85.06537	3.0
91.05463	4.1
93.07034	7.6
95.04974	2.4
95.08586	13.4
97.02908	1.5
97.06530	7.8
97.10169	1.0
99.04462	2.7
99.08083	1.1
104.07084	2.4
105.07014	7.4
106.07381	0.9
107.04887	0.9
107.08572	11.7
109.06499	5.7
109.10134	18.1
111.08070	2.7
111.11754	1.4
115.07555	4.6
119.04932	1.3
119.08572	11.5
121.10107	7.3
122.08144	1.3
123.04395	1.3
123.08054	3.9
123.11691	12.1
125.09578	1.8
127.03891	1.1
127.07478	1.0
127.11165	2.8
133.10118	22.3
135.11679	22.3
137.09590	4.1
141.09096	1.3
145.10025	1.2
147.11661	7.7
149.13220	8.8
151.07510	1.3
153.12743	3.9
155.10664	1.6
157.10036	0.9
161.05904	1.4
165.12749	3.3
167.07007	11.1
168.07375	2.1
175.14806	41.0
176.15071	1.4
176.98447	0.9
177.16319	3.2
179.06972	2.2
180.07504	1.2
193.08441	2.1
193.15843	44.0
194.16275	1.4
211.16896	100.0
212.17249	5.2
229.14305	23.1
238.11525	1.1
347.77597	1.1
358.13452	1.7
372.27316	3.8
390.28110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05500	16.7
57.03403	2.1
57.07076	1.9
57.13211	1.4
59.05000	1.9
63.69096	1.2
67.05493	11.1
69.03422	3.2
69.07059	40.9
70.71906	4.5
71.04987	5.5
74.21332	1.5
79.05475	3.8
81.07049	16.4
83.04977	10.2
83.08601	5.4
84.04491	2.5
85.02888	7.4
85.06536	2.8
87.84662	1.4
91.05462	5.3
93.07018	8.3
95.08594	52.1
97.02895	1.4
97.06504	3.4
97.10139	4.1
98.09688	2.3
99.04440	5.9
99.08087	3.7
105.07031	11.7
105.35905	1.5
107.08574	22.3
109.06497	3.1
109.10136	35.9
111.08056	4.6
116.01616	3.2
118.01263	1.8
119.08573	38.5
121.10136	14.2
123.08054	8.3
123.11678	7.5
125.09624	22.7
133.10110	54.6
134.10451	2.0
135.11673	22.4
137.09592	33.6
137.10576	2.6
137.13220	1.6
147.11647	7.5
149.13229	5.8
151.11205	1.7
151.14832	6.0
155.10565	2.5
156.10165	1.6
158.07890	1.9
159.08409	1.8
162.02220	5.7
165.16362	2.6
175.14807	100.0
176.09082	1.9
176.15137	3.3
193.15858	92.3
194.16122	3.4
211.16978	11.5
211.18857	2.6
225.77655	1.3
259.11072	3.5
261.10623	12.3
262.11099	4.5
266.46585	1.6
271.10886	2.5
295.81192	1.5
373.13821	2.1
384.23108	1.7
391.14868	2.1
409.16110	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	408.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01852	3.0
55.05515	4.4
57.03410	2.0
58.58955	0.7
61.02900	1.2
62.81944	0.7
67.05494	8.0
67.41167	0.7
69.03423	5.2
69.07065	6.5
69.98845	3.9
71.04985	1.1
79.05486	5.3
81.03399	4.2
81.06576	1.7
81.07046	31.5
82.07359	1.0
83.04971	2.4
83.08598	2.5
85.02891	12.2
85.06525	2.4
87.04424	0.8
91.05476	9.1
93.07021	5.8
95.04935	2.1
95.08584	7.4
97.02877	4.5
97.06500	2.4
99.08071	1.2
105.07016	15.2
107.04932	3.0
107.08575	7.0
109.02856	1.3
109.06504	2.2
109.10139	1.8
113.05991	1.3
119.08570	12.6
121.06468	0.9
121.10126	11.9
122.09668	1.0
123.04414	2.8
123.08055	2.5
123.11691	18.7
127.03904	3.8
127.07526	1.9
131.08525	1.3
133.10121	3.0
135.08067	1.0
137.13249	1.5
141.09096	1.3
145.04929	2.7
147.11668	47.2
148.11993	2.3
153.01791	2.8
157.10104	1.5
163.07480	2.1
164.07918	1.5
165.12738	32.9
166.13007	1.1
167.07019	48.6
168.07347	6.8
175.11171	1.9
180.08665	4.5
181.08694	1.0
183.13774	13.8
193.08516	1.5
193.12225	4.2
193.15813	1.3
195.10124	1.0
209.07896	1.0
211.13303	7.6
211.16994	1.2
229.14319	100.0
230.14629	2.9
341.57016	0.7
355.17612	1.9
373.64990	0.8
408.22174	1.0
409.15918	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01853	1.2
57.03414	2.4
65.83791	0.7
67.05476	1.9
69.03418	11.0
69.07047	1.2
70.03738	2.4
70.06578	97.9
71.04967	2.4
71.06914	1.2
71.61662	0.9
79.05461	1.6
81.03406	9.1
81.07041	1.6
82.03722	1.0
83.04946	1.4
85.02889	6.9
86.06023	1.2
86.09684	3.4
87.04449	3.1
88.04775	1.0
91.05455	1.0
93.07019	1.1
96.08115	0.9
97.02866	5.1
98.09650	0.9
99.04429	3.2
99.08096	1.0
107.04927	1.2
107.08540	1.5
109.02865	9.0
109.06486	0.9
111.04414	1.2
112.07583	100.0
113.02364	0.8
113.07952	1.3
114.05533	0.9
115.03892	1.5
116.07053	2.5
117.05452	1.1
121.02844	1.9
121.06550	0.9
121.10042	1.2
123.04406	1.1
124.07551	2.9
125.02372	0.9
127.03891	7.4
128.07019	1.6
131.07037	0.9
133.04939	2.4
137.05974	5.7
140.07036	66.1
141.05383	1.2
141.07372	1.0
145.04909	1.3
153.01801	39.1
156.47810	0.7
158.08095	13.8
159.06572	0.7
165.05444	0.9
167.06979	3.9
167.10663	3.2
168.10950	3.0
171.02870	5.1
181.08562	1.1
183.06505	7.4
184.14157	0.8
195.10095	1.2
200.09116	1.0
209.15248	0.9
210.15582	0.9
211.05981	3.1
211.09648	6.3
211.12996	0.8
227.16422	1.5
228.16728	2.9
229.07037	0.8
229.10602	1.2
229.21179	0.7
246.17522	0.8
266.10266	4.2
267.11401	0.9
271.10818	0.9
284.11237	18.6
297.05939	4.6
302.12286	4.2
315.07050	8.7
331.71478	0.7
356.29504	0.7
372.16699	0.9
391.15085	1.0
408.13348	1.4
408.18491	1.3
409.15900	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	408.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.6
53.03928	1.1
53.79060	0.5
57.03412	1.0
62.65873	0.5
66.73405	0.5
67.05476	0.7
69.03416	5.9
69.07060	0.9
69.60802	4.4
70.06580	30.9
71.04958	1.5
71.50328	0.6
72.08145	0.9
72.77685	0.4
73.02901	0.8
79.01842	1.6
79.05449	0.8
81.03406	9.3
81.07048	0.8
83.04980	0.9
85.02888	6.1
86.06049	1.0
86.09695	0.9
93.07032	1.2
95.04957	0.8
96.51270	0.5
97.02884	6.5
97.06526	1.0
99.04446	2.2
105.07030	0.7
107.01302	1.7
107.04949	1.0
107.08555	0.9
109.02844	7.6
109.06474	0.9
110.02399	0.6
112.07587	32.6
113.02327	0.7
113.07950	0.6
114.05526	1.3
114.09129	0.8
116.07069	1.2
116.10656	0.7
121.06487	0.9
121.10137	0.9
122.10438	0.7
123.04375	0.7
124.07579	2.8
125.02328	3.5
126.05537	0.6
127.03908	10.5
128.06958	0.6
133.04903	0.7
137.06000	2.7
140.07045	22.8
141.05511	0.8
143.03369	3.3
145.04929	1.8
148.73164	0.6
151.09697	0.6
153.01807	100.0
154.02188	1.7
156.06512	0.9
158.08095	5.2
167.07001	4.5
167.10684	1.3
168.10994	1.4
169.11223	0.5
171.02861	12.9
174.07613	1.1
177.00696	0.6
179.07005	0.6
183.06458	1.3
193.08626	1.0
195.06564	0.7
211.06078	1.0
211.09671	2.9
228.16542	1.3
229.10764	1.3
261.10867	0.6
266.10034	0.7
271.10620	1.0
284.11234	5.5
297.05984	9.3
302.12387	1.5
315.07050	24.5
316.07047	0.9
391.15308	0.7
408.12772	0.8
408.18442	1.0
409.15918	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	408.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95505	0.3
70.08945	1.9
101.00881	0.4
119.01907	5.1
122.51956	0.3
124.03651	0.3
137.02939	2.0
158.99957	0.5
165.99611	0.3
177.00940	13.5
178.00995	0.8
195.02080	0.3
201.00919	0.8
217.04051	2.2
219.01993	24.5
220.02072	2.1
221.01892	0.5
222.98315	0.3
224.04865	0.3
225.00827	3.1
234.99953	0.9
237.47798	0.3
242.03653	0.4
243.01962	7.1
244.02089	0.7
258.99982	1.3
259.08359	0.3
261.03046	100.0
262.03159	6.4
263.03217	1.0
275.04477	0.3
277.01062	1.2
278.00977	0.5
279.00845	0.4
282.99939	1.3
284.00003	0.8
284.04657	4.6
284.99869	0.5
301.01038	3.8
302.00995	0.9
303.00735	0.5
343.01910	0.5
348.06711	0.4
361.27902	0.4
366.03757	0.4
366.07831	1.0
367.02100	2.1
384.04889	0.5
385.03149	18.1
386.03400	1.7
403.04218	22.5
404.04562	2.4
408.04767	1.6
426.00992	0.4
426.05923	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3666
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05505	11.2
57.07078	4.7
65.03915	1.1
67.05494	15.0
69.03431	0.8
69.07059	21.1
69.51289	2.1
69.51702	6.1
71.08630	1.7
76.01896	0.9
79.05479	8.0
81.07046	38.9
83.08601	7.6
90.59826	0.8
91.05463	8.5
93.07036	20.9
93.80610	0.8
95.04959	1.2
95.08593	59.1
96.08940	1.1
96.60699	0.8
97.10156	4.8
105.07014	17.1
107.08582	27.3
109.10140	40.4
111.11737	2.0
115.05470	1.3
117.07017	3.7
119.08563	26.5
121.10125	23.2
123.08079	1.0
123.11694	14.4
129.06999	1.8
131.08554	9.4
133.06610	0.8
133.10106	15.9
135.11673	16.9
137.13223	13.2
143.08546	5.5
145.10097	17.9
147.11667	16.4
147.12785	1.3
149.13240	15.3
149.14337	1.1
151.14793	1.3
155.08591	1.8
157.10120	8.1
158.10864	1.4
159.11655	15.7
160.92607	1.0
161.13234	14.1
163.14809	7.4
169.10112	2.0
171.11690	7.9
172.12399	1.5
173.13232	12.1
174.13831	1.1
175.11188	0.9
175.14799	9.0
177.16382	5.2
179.17825	1.2
183.11688	2.5
185.13220	6.8
186.13860	1.1
187.14818	12.4
189.16338	12.2
191.17923	12.9
197.13272	3.4
199.14726	7.6
200.15405	1.1
201.16408	13.8
203.17953	14.6
205.19485	4.6
209.13315	1.9
211.14876	3.4
213.16385	6.8
215.17906	9.3
217.19444	8.7
219.18118	0.9
219.20825	0.9
225.16385	1.8
226.16847	1.0
227.17950	4.7
229.19505	8.1
231.21100	2.4
239.18008	1.3
241.19551	3.2
243.21150	3.9
245.22586	1.6
253.19540	1.3
255.21077	6.9
257.22617	20.7
259.24399	1.2
267.20880	1.6
269.22571	11.4
271.24207	2.7
281.22809	2.0
283.24097	4.3
295.24295	2.2
297.25836	3.1
309.25775	1.5
323.27420	1.5
325.28909	1.6
337.28690	1.3
351.30438	2.0
364.31003	1.2
365.31720	1.4
389.32043	3.4
407.36829	100.0
408.37265	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	407.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.2
57.07070	5.0
67.05493	20.2
69.07060	21.0
71.04995	1.3
71.08624	2.4
78.31248	0.9
79.05483	9.4
81.06567	2.1
81.07049	44.9
83.01405	1.2
83.08606	10.1
91.05468	10.0
91.18707	0.9
93.07033	26.1
95.04968	2.2
95.08594	71.8
96.08930	1.3
97.06535	2.1
97.10121	6.2
98.21487	2.7
105.07016	25.6
107.08579	37.5
109.10137	45.1
110.10493	1.0
111.11726	2.9
117.07030	3.2
119.08569	35.3
121.10126	33.7
123.08065	1.1
123.11685	20.3
125.69135	0.8
127.11192	1.0
128.06299	0.9
129.07018	1.4
131.08548	10.6
133.10109	21.1
133.11060	1.4
135.08051	1.0
135.11671	21.0
137.13220	13.6
141.07022	0.9
142.07727	1.3
143.08516	5.0
144.09288	1.3
145.10112	17.7
146.10863	1.0
147.11671	21.6
147.12776	1.5
149.05913	0.9
149.09605	0.9
149.13242	20.0
149.14363	1.8
151.11229	1.7
151.14867	3.5
155.08556	1.5
157.10103	7.1
159.11661	22.3
161.13219	19.8
162.13568	1.1
163.14801	13.5
165.16383	1.3
169.10107	1.4
171.11653	5.3
173.13242	12.8
175.14792	10.7
177.16364	7.1
179.17947	1.8
185.13225	6.6
187.14832	11.4
189.16376	22.1
191.17946	17.8
197.13281	3.3
199.14799	5.7
201.16351	12.9
203.17937	19.4
205.19513	4.3
211.14772	2.1
213.16405	4.8
214.17119	1.3
215.17940	17.1
215.19879	1.3
217.16132	1.2
217.19504	18.2
217.21516	1.1
219.21092	1.4
223.18126	1.0
227.17975	3.0
229.19423	7.1
230.75061	1.0
231.21127	3.4
239.17793	2.1
240.82095	1.0
241.19585	3.0
243.21117	5.9
245.22516	2.1
253.19548	2.7
255.21091	5.0
257.22571	13.9
259.24197	1.0
267.20975	1.4
269.22589	8.3
271.24081	1.8
281.22543	1.2
283.24313	2.9
295.24289	1.3
297.25726	3.6
299.89923	1.0
311.27493	1.4
323.27307	2.3
325.29269	1.7
331.23303	0.9
337.29001	2.4
338.04163	1.0
345.17615	1.2
349.55594	1.0
351.30380	1.9
365.32083	1.2
371.33026	1.5
389.33884	3.3
407.36829	100.0
408.37402	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	407.3515
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
55.01864	1.8
55.05497	7.4
57.03421	3.4
57.07072	19.4
67.01831	4.2
67.05493	17.6
69.03426	13.9
69.07056	10.9
71.08631	12.6
71.62965	3.2
79.05465	6.7
80.12169	1.6
81.07040	27.4
83.08606	7.3
85.10157	6.2
89.05988	2.0
91.05498	2.9
93.07025	10.0
95.04952	14.4
95.08047	1.9
95.08595	24.1
97.06509	3.7
97.10126	3.4
105.06992	6.8
107.08580	11.3
109.06477	10.3
109.10156	15.6
111.11723	1.7
113.05980	5.1
119.08572	10.0
121.10110	8.7
123.04424	20.1
123.08022	5.4
123.11683	8.0
125.05958	3.9
131.08549	3.7
133.10123	10.3
135.11664	4.6
137.05873	2.5
137.09592	4.5
137.13229	5.2
141.05432	14.9
143.06995	1.7
145.10056	5.4
147.11687	8.0
149.13202	5.6
151.07495	2.5
151.11136	2.7
155.07011	6.0
157.10089	2.4
159.11684	7.6
161.13266	3.7
165.09070	3.7
165.12717	1.6
169.08553	5.3
171.11601	3.2
173.13210	3.1
175.14731	2.3
177.16333	2.3
183.10118	5.8
185.13243	3.1
187.14635	1.7
189.16319	2.8
191.17969	2.9
193.12254	2.4
197.11690	4.7
201.16368	1.9
203.17885	6.0
211.13089	2.8
217.19476	2.2
225.14676	2.0
232.88921	1.5
239.16299	1.7
243.21019	1.9
255.20930	1.9
257.22650	1.9
269.22571	3.0
295.22733	2.1
311.27222	2.4
351.28912	2.1
389.34100	12.5
407.35266	100.0
408.35867	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	407.3516
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
55.05500	4.3
57.07070	7.5
67.05492	5.7
68.81520	0.5
69.03424	5.2
69.06716	0.7
69.07059	9.0
69.38702	5.7
69.39111	1.0
71.08628	4.6
79.05483	3.2
81.07046	12.9
83.08598	5.5
84.62865	0.7
85.10181	3.9
89.06031	0.9
91.05463	1.3
93.07029	4.9
95.04951	2.3
95.08040	1.0
95.08602	11.5
96.08948	0.8
97.06515	1.2
97.10152	3.7
103.41893	0.7
105.07008	4.7
107.08574	6.2
109.06503	1.9
109.10149	7.8
111.04398	0.7
111.08144	0.8
111.11710	1.4
112.99969	0.6
113.05935	1.3
119.08568	3.8
121.10128	5.0
123.04418	9.0
123.08046	2.2
123.11684	4.5
125.05948	3.3
131.08543	1.4
133.08589	0.7
133.10101	3.7
135.08051	0.9
135.11665	4.7
137.05949	3.9
137.09563	2.4
137.13220	3.0
138.07784	0.6
139.07530	1.7
141.05443	5.1
143.07018	1.1
144.29129	0.6
145.10112	1.9
147.11688	4.2
149.13229	3.9
151.07516	2.6
151.11121	3.0
153.09125	0.6
154.53474	0.7
155.07014	2.0
157.10103	1.3
159.11676	2.4
161.13246	4.1
162.96236	0.7
163.14807	1.6
165.09109	2.3
165.12695	1.2
167.10693	1.6
169.08600	0.8
173.13242	1.3
175.14784	2.2
177.16370	2.0
179.10657	2.1
179.14355	1.4
181.12294	1.5
183.10205	1.0
187.14790	2.3
189.16386	2.5
191.17851	1.6
193.12231	2.9
195.13806	1.0
201.16307	1.0
203.17932	2.6
205.19510	0.8
207.13710	1.1
211.13286	1.1
211.93208	0.6
213.16373	0.8
215.17883	2.3
217.19421	2.3
221.18951	0.7
227.17986	1.0
231.21011	1.1
235.16815	1.4
237.18559	0.9
243.21208	0.9
251.20030	0.8
263.20068	1.7
269.22638	1.1
283.24158	0.8
304.93344	0.9
323.26892	0.7
329.44492	0.7
333.27890	0.8
343.33554	1.5
361.34579	2.9
371.32950	2.2
389.34106	31.2
390.34274	1.2
407.35205	100.0
408.35477	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	407.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.1
55.05510	7.8
57.07064	12.8
67.05494	10.1
69.03117	0.9
69.03419	8.7
69.07057	13.3
69.38966	8.7
71.04915	0.9
71.08633	8.0
79.05468	7.0
81.06578	1.2
81.07047	22.0
83.08611	10.0
85.10152	3.5
89.06014	0.8
91.05447	3.2
93.07035	7.4
95.04974	4.3
95.08052	1.2
95.08602	16.0
97.06510	3.1
97.10150	5.4
98.21032	3.4
105.07006	5.7
107.08599	6.9
109.06499	3.1
109.10141	12.8
111.04408	1.0
111.11729	3.7
112.99987	1.5
119.08578	7.6
121.10152	6.3
123.04420	13.6
123.08047	3.1
123.11672	5.5
125.05970	5.8
125.13253	1.3
131.08548	2.1
133.10109	5.8
135.08037	0.9
135.11673	5.5
137.05962	6.2
137.09579	2.9
137.13193	2.3
139.07494	2.5
141.05409	6.3
143.07039	2.7
143.08568	1.5
144.33499	0.8
145.10091	2.8
147.11690	6.3
149.13199	3.6
151.07513	3.7
151.11140	3.1
151.14766	1.3
153.09059	1.1
155.07021	1.5
157.04945	0.8
157.10097	2.2
159.11676	1.9
161.13255	4.1
163.14804	2.3
165.09042	3.9
165.12711	2.2
167.10641	1.8
169.02560	1.5
169.08533	0.9
173.13229	1.4
175.11143	1.7
175.14798	3.0
177.16322	1.7
179.10611	3.2
179.14211	0.9
181.12178	1.8
185.13211	1.7
187.14787	3.4
189.16339	2.4
191.17934	1.1
193.12195	3.3
197.11723	1.3
201.16373	2.8
203.17947	2.5
207.13799	1.7
213.16389	0.9
217.19450	1.2
227.17873	1.3
229.19539	1.3
235.20776	0.7
243.21162	0.9
249.18518	0.9
251.19901	1.1
255.21025	1.1
263.19974	1.2
277.21625	0.9
343.33389	1.6
361.34558	2.7
371.32953	1.6
389.34128	28.3
390.34381	2.1
407.35193	100.0
408.35596	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	407.3513
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
53.03949	2.2
55.01863	3.1
55.05502	11.1
57.03436	1.3
57.07069	8.8
62.88924	0.8
67.05499	5.5
67.78279	0.8
69.03410	1.5
69.07058	26.0
69.36234	8.6
71.04988	1.2
71.08620	5.3
79.05476	18.3
81.03423	1.1
81.07045	21.0
83.05012	0.9
83.08604	15.1
85.06528	1.0
85.10182	3.2
91.05476	2.2
93.07030	7.4
95.04965	2.6
95.08586	14.0
97.06508	10.3
97.10159	7.0
105.07038	3.7
107.04942	1.9
107.08603	4.0
109.02882	2.3
109.06530	1.9
109.10142	7.9
111.08092	2.7
111.11726	3.1
113.05332	0.8
113.05946	4.7
115.03937	2.3
119.08596	3.8
121.10155	5.0
123.08045	2.5
123.11732	4.0
125.05970	44.3
125.09657	1.2
125.13218	1.1
125.83148	1.0
127.03893	11.7
131.08557	1.6
133.10132	3.8
135.11703	3.1
137.09552	2.1
137.13251	2.7
139.07518	23.9
143.07008	19.5
143.08716	1.0
145.10143	2.6
147.11719	1.9
149.13307	1.8
151.07524	1.1
151.11160	2.0
151.14839	1.3
153.09059	13.5
157.10074	1.7
159.11765	2.4
161.13258	1.6
163.11200	1.1
165.09103	1.5
166.08589	2.1
167.10666	10.3
171.11725	1.1
173.13347	2.2
175.11147	2.0
175.14806	1.3
177.16354	1.4
179.10629	1.7
181.12192	11.1
181.13651	1.0
183.10175	1.6
185.89171	0.9
189.16377	1.7
191.17857	0.9
193.12241	4.3
194.38785	0.9
195.13788	5.8
197.11885	0.9
199.14828	1.7
204.61984	1.0
207.13879	1.8
209.15529	2.6
215.17993	1.7
223.17023	1.4
237.18579	2.2
251.20193	3.1
263.20297	1.7
265.21823	1.4
277.21945	1.2
281.28452	3.2
293.25040	1.1
305.24796	1.1
321.28137	1.1
371.33255	1.3
379.28891	0.9
384.09866	0.9
389.34155	60.0
390.34604	3.9
407.35416	100.0
408.35889	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.01847	2.3
55.05506	11.2
57.07067	9.7
58.33956	0.7
67.05215	0.7
67.05500	6.6
69.07060	25.3
69.51289	3.6
69.51727	2.6
71.04975	1.6
71.08623	6.7
79.05482	19.7
81.03409	1.5
81.07048	24.7
83.08605	11.8
85.10178	3.0
91.05460	2.0
93.07030	7.4
95.04957	2.4
95.08593	18.1
95.45667	0.7
97.06519	11.2
97.10162	8.7
98.20770	1.6
99.04443	0.7
99.08078	0.8
102.93449	0.8
105.07018	5.8
107.04936	1.7
107.08578	8.0
109.02885	2.5
109.06487	1.4
109.10151	9.6
111.08083	2.2
111.11710	3.0
113.00034	1.2
113.05983	4.4
115.03888	1.4
119.08575	5.2
121.10119	7.7
123.08070	2.5
123.11703	4.9
125.05975	41.4
125.13270	1.5
127.03901	10.1
127.11198	0.7
131.08542	2.1
133.10138	4.3
135.11684	3.6
137.09599	2.2
137.13246	3.2
139.07524	19.1
143.07019	20.2
143.08289	1.2
143.08543	1.0
145.10077	3.6
147.11687	3.3
149.13235	4.4
151.07545	1.3
151.11188	2.0
151.14861	1.2
153.09085	12.2
157.10114	1.4
159.11714	2.8
161.13249	2.9
163.14812	3.4
165.09090	1.9
165.12697	1.1
166.08618	0.9
167.10657	10.0
169.02617	0.8
169.08627	0.9
171.11728	1.2
173.13292	2.7
175.14832	2.8
177.16400	1.9
179.10677	1.6
181.12239	8.2
183.10123	1.3
185.13226	0.7
187.14873	3.0
189.12666	1.0
189.16428	1.9
191.17903	1.6
193.12225	4.0
195.13741	5.0
201.16408	3.0
203.18008	2.5
205.19574	0.8
207.13887	1.1
209.15384	3.0
215.17830	1.2
217.19553	1.5
221.15329	0.9
223.16891	1.8
226.75679	0.7
227.17960	1.1
229.19585	1.1
231.21233	0.8
236.58954	0.8
237.18629	2.0
241.19510	1.0
243.21025	1.0
245.22606	1.2
251.20006	3.7
257.22644	1.1
263.20053	1.9
265.21738	1.3
269.22763	1.3
279.23190	1.1
281.28436	2.2
283.24115	1.5
307.26468	1.0
380.89587	0.8
389.34161	42.3
390.02432	0.8
390.34497	3.0
407.35403	100.0
408.31696	0.8
408.35809	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	407.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.05502	7.4
56.96549	2.2
57.07062	4.1
65.03933	1.5
67.05492	17.8
67.42757	1.0
69.03423	1.3
69.07056	11.3
69.46635	5.1
69.47070	4.0
73.02908	1.9
73.71985	1.2
77.49615	0.9
79.05479	13.3
80.31164	0.9
81.03419	1.9
81.07048	28.6
83.04964	3.5
83.08616	6.7
85.02901	1.3
85.06536	1.8
91.03962	1.1
91.05459	13.8
93.07033	23.6
95.04958	3.4
95.08593	29.6
97.02892	2.2
97.06529	1.5
97.10174	2.0
97.96746	0.9
98.20774	2.0
98.97581	1.1
103.05452	1.0
105.07011	33.6
107.04933	1.8
107.08582	29.6
109.06530	4.4
109.10134	29.2
111.08047	1.7
117.06985	7.5
119.08569	41.6
120.08910	1.0
121.06510	1.2
121.10123	57.3
122.10453	1.1
123.08067	3.5
123.11697	21.5
125.09651	1.4
128.06252	1.7
129.07010	3.6
131.08545	19.0
133.06534	1.3
133.10109	46.1
135.11668	25.9
137.09592	3.7
137.13243	4.0
139.11139	2.1
141.25877	1.2
143.08528	9.9
145.10091	23.8
147.07944	1.1
147.11668	12.7
149.09634	2.8
149.13264	8.6
151.11145	10.5
151.14774	1.2
155.08556	2.4
156.09239	1.5
157.10088	10.5
158.10875	1.9
159.11679	16.6
161.09628	1.4
161.13235	7.8
163.11150	2.1
163.14764	7.8
165.12752	2.4
165.16344	2.3
169.10120	3.4
170.10841	1.1
171.11670	16.6
172.12457	3.0
173.11758	1.4
173.13239	23.2
175.14789	16.1
177.12883	1.1
177.16425	6.2
183.11786	2.3
185.13226	16.0
186.14029	2.5
187.14786	19.1
189.16373	7.8
191.14282	12.3
191.17924	1.2
193.15918	2.8
197.13284	4.5
198.13882	1.3
199.14790	53.7
200.15540	3.4
201.16368	14.5
203.17967	2.9
205.15846	4.1
211.14883	1.7
213.16364	27.5
213.18333	2.1
214.17133	36.9
215.17915	75.7
216.18291	1.7
217.15869	1.8
223.14864	1.1
227.17935	2.9
235.15053	1.2
239.17891	2.5
241.19490	5.5
243.20992	6.1
253.19450	1.7
255.21049	7.1
267.09167	2.2
267.21017	6.2
269.22562	3.2
283.06274	1.3
285.10129	1.7
286.10468	1.1
307.24081	1.2
315.19592	1.8
319.24197	1.8
321.26172	1.2
354.09900	1.1
389.27402	2.1
389.31760	6.1
407.33087	100.0
408.33429	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.8
55.05507	5.3
57.03417	0.9
57.07043	2.2
65.03932	0.7
65.27803	0.7
67.05495	8.3
68.89211	0.6
69.03400	1.2
69.06719	1.1
69.07060	12.8
71.04958	0.9
79.05475	10.7
81.03391	1.7
81.07044	16.1
83.04946	1.5
83.08604	7.0
85.02875	1.0
85.06522	1.2
91.05466	10.5
93.06475	1.1
93.07032	19.0
95.04933	2.0
95.08594	33.4
96.08896	1.0
97.06519	1.0
97.10140	1.0
99.08041	1.2
105.07020	23.4
107.04929	1.1
107.08582	39.0
109.06477	2.2
109.09450	1.0
109.10145	16.5
111.08016	2.0
115.05418	1.1
117.07008	5.5
119.08559	39.3
120.08778	0.9
121.06460	0.7
121.10125	37.5
123.08030	1.5
123.11683	6.7
125.09568	1.0
128.06195	0.7
129.06924	1.6
130.07753	2.1
131.08545	19.9
132.93082	0.7
133.10112	23.2
135.08015	0.9
135.11665	14.1
137.05951	1.1
137.09605	3.4
137.13177	2.1
143.08528	5.7
144.09290	1.8
145.10101	39.3
146.10435	0.6
147.11674	14.5
149.09589	2.9
149.13234	12.5
151.11137	1.9
151.14853	0.7
156.09315	2.1
157.10092	7.5
158.10890	3.6
159.11673	26.8
160.12221	0.7
161.13223	11.0
163.11174	10.9
163.14798	7.4
165.12704	1.0
169.10091	2.4
170.10854	1.4
171.11668	6.0
172.12411	2.6
173.13249	24.4
174.13910	0.8
175.13269	1.1
175.14792	20.6
175.16249	1.2
176.15138	1.0
177.12697	2.5
177.16359	27.0
179.14317	0.8
183.11607	3.5
185.13219	6.1
187.14795	40.4
188.15215	0.8
189.00574	1.0
189.16357	10.6
191.14287	2.1
191.17912	1.7
197.13177	1.2
199.14774	6.7
201.16359	50.3
202.16658	1.9
203.17932	5.7
205.15848	100.0
206.16205	3.0
207.17419	4.0
211.14894	1.1
213.16368	5.2
215.14366	1.4
215.17839	3.8
217.15881	1.3
217.19470	2.2
219.17398	2.0
223.14793	0.9
225.16431	1.7
227.17892	3.3
229.19533	1.5
230.05960	0.7
231.17477	1.3
233.19057	1.4
239.17937	1.0
241.19434	1.3
243.20976	1.1
251.17795	0.9
253.19455	1.1
255.21175	1.7
263.20193	0.7
267.21194	1.3
269.22559	1.1
283.06277	1.2
295.24301	1.1
371.25864	0.9
384.19128	0.7
389.26923	2.4
389.32010	4.1
407.33063	56.9
408.33411	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	407.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95358	0.6
53.03931	1.1
55.01839	0.7
55.05504	5.7
57.03421	1.0
57.07048	1.6
65.03922	0.6
67.05160	0.9
67.05492	11.2
69.03409	2.5
69.07061	9.0
70.17986	2.8
71.04959	1.0
71.43301	0.6
79.05483	8.1
80.37241	0.5
81.03387	0.8
81.06567	1.2
81.07045	22.6
83.04954	3.3
83.08607	3.9
85.06522	1.2
85.24599	0.5
91.04947	0.9
91.05461	9.5
93.07029	19.9
95.04968	2.8
95.08591	28.9
96.17070	0.6
96.28362	0.6
96.51724	0.5
97.06499	2.2
97.10140	3.4
99.08082	1.3
105.07010	23.5
107.08579	29.5
109.06507	3.7
109.10140	19.6
111.08062	2.6
111.11691	0.8
117.06986	3.9
118.85724	0.6
119.08564	25.1
119.14810	0.6
121.06479	1.6
121.10127	21.5
121.10996	1.2
123.08025	2.4
123.11682	9.9
125.09610	6.9
128.06219	1.3
129.06995	4.7
130.07713	0.7
131.08548	17.1
133.09085	1.0
133.10115	22.0
135.08025	1.4
135.11681	9.3
137.09541	2.7
137.13206	2.4
139.11227	0.7
141.06956	1.1
142.07715	1.5
143.08530	10.8
144.09065	0.5
145.10094	26.7
147.08051	1.2
147.11656	10.9
149.09634	0.9
149.13228	13.2
151.11182	4.1
151.14838	0.7
155.08513	2.8
156.09334	0.8
157.10092	9.7
158.10872	1.6
159.08043	0.6
159.11662	12.9
161.09619	1.1
161.13239	7.8
163.11163	1.4
163.14806	13.6
163.16080	1.1
165.16341	0.8
169.10065	3.7
170.10944	1.1
171.11670	7.3
172.12509	0.6
173.05971	0.6
173.09702	0.5
173.13234	19.1
175.11259	1.4
175.14796	14.4
177.12749	1.6
177.16362	9.9
181.10118	0.9
183.11606	3.6
185.13260	6.9
186.13876	0.6
187.14793	55.5
188.15152	1.1
188.19263	0.6
189.12762	0.7
189.16360	15.1
191.14281	6.9
191.17934	3.0
193.15903	0.7
195.11685	2.0
196.12389	0.8
197.13260	2.9
199.14789	11.3
201.12753	0.8
201.16351	14.2
203.14326	1.8
203.17943	7.0
205.15883	2.7
207.17406	1.3
209.13281	0.9
211.14812	3.6
213.16356	27.7
214.16948	2.4
215.14529	1.0
215.17911	19.4
216.18312	0.8
217.15865	6.9
217.19406	2.7
219.17369	0.9
223.14824	1.3
225.16351	3.0
227.17929	7.0
228.18561	0.7
229.15854	1.5
229.19429	4.0
231.17400	2.6
231.21037	1.3
233.19022	4.1
235.14709	1.0
237.16411	1.9
239.17859	3.3
241.15681	0.6
241.19469	9.6
242.20079	0.6
243.17380	1.4
243.21039	5.7
245.18987	1.3
251.17996	1.3
253.19493	3.3
255.20993	8.3
257.18948	1.9
259.20566	0.8
265.19470	2.1
267.21008	9.3
269.22586	1.8
277.19479	0.7
279.21011	1.3
281.22565	4.4
283.20578	3.4
283.24045	1.4
293.22482	1.6
295.24182	1.4
297.22165	0.8
305.22464	1.6
307.24182	1.0
309.25638	0.8
311.23514	1.2
319.24310	1.3
333.25613	0.9
337.25092	1.1
349.28891	1.5
377.31747	0.9
379.33615	1.5
381.33417	0.6
386.77258	0.8
389.27695	0.6
389.31982	15.3
389.36807	1.1
390.32388	1.3
407.33035	100.0
408.33356	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	407.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71002	2.2
53.03906	4.0
55.01849	11.3
55.05500	37.8
57.07066	35.1
67.05171	2.8
67.05496	32.4
69.03407	5.3
69.07055	92.2
70.66154	5.0
70.66546	6.1
71.04959	3.3
71.08622	19.9
79.05476	17.6
81.03388	2.7
81.07042	84.5
83.08611	55.8
85.02839	2.6
85.10156	10.8
85.21781	2.8
89.05997	6.2
91.05466	13.7
93.07024	35.3
95.04974	2.9
95.08591	100.0
97.06522	5.1
97.10154	24.3
98.21401	2.9
99.04435	2.7
105.07012	26.0
107.08585	31.4
109.02853	5.2
109.06493	8.0
109.10135	56.6
111.04411	2.8
111.08056	5.3
111.11707	22.3
113.09566	2.6
117.07015	3.6
117.46672	2.8
119.08566	31.0
121.06470	7.8
121.10128	27.6
123.08028	11.3
123.11673	33.2
125.02342	35.4
125.13239	8.8
127.03887	35.4
129.06943	3.5
131.08533	11.5
133.06563	2.7
133.08546	4.2
133.10115	18.5
135.08025	5.6
135.11665	18.8
137.09584	7.0
137.13210	18.7
139.03893	6.2
139.07513	12.4
141.05415	4.6
143.03371	8.1
143.08557	9.4
145.10100	23.0
147.07988	5.4
147.11691	16.6
149.09619	6.9
149.13264	14.5
151.07544	4.3
151.11159	4.8
151.14789	9.1
153.05423	6.3
155.08473	2.9
157.10074	11.2
159.11665	15.8
161.09653	3.2
161.13220	14.2
161.91548	2.4
163.07544	5.1
163.11156	5.6
163.14832	15.0
165.09151	5.2
165.12701	3.1
167.07025	10.2
169.08540	15.5
169.09969	5.6
171.11635	8.8
173.13242	10.1
174.13678	2.9
175.14809	10.8
177.09055	9.3
177.12730	3.1
177.16289	4.9
181.08513	18.0
183.10156	13.4
183.11545	4.3
185.13196	7.4
187.11189	3.1
187.14760	17.5
189.12773	2.6
189.16299	10.3
191.14287	2.7
191.17961	5.3
193.08557	7.4
193.12303	3.8
195.10143	12.4
197.11626	2.7
199.14751	8.0
201.16287	13.8
203.17943	8.5
205.15851	3.2
207.10065	3.5
209.11642	5.2
211.14828	4.7
213.16266	4.7
215.14383	3.1
215.17877	6.0
217.12245	2.5
217.15868	4.6
217.19475	4.2
221.11621	3.6
223.13208	4.1
227.17981	3.3
229.19443	3.7
231.17488	3.9
235.13162	6.2
237.14763	7.3
239.17915	3.2
240.58641	2.4
241.19472	3.0
245.15323	3.7
249.14716	7.6
251.16400	9.2
255.20984	3.3
257.22720	2.7
263.16379	22.6
265.18042	3.5
277.17957	3.8
279.19415	3.7
291.19781	3.3
293.20789	4.2
305.20984	4.4
307.22528	8.0
319.22614	6.2
321.24124	6.1
333.24173	8.0
343.29880	8.6
345.31516	4.0
353.28363	3.5
354.95059	2.9
361.30713	3.5
371.29492	19.7
389.30396	98.8
390.30786	6.0
407.25027	6.1
407.32712	36.4
407.36731	6.3
428.93320	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	407.227
Annotation	Actinidioionoside
Peak:m/z	Relative Intensity
53.03928	3.5
55.05495	2.7
57.03431	10.7
59.04994	2.2
67.05495	6.2
69.03422	63.6
69.07057	4.5
69.48815	1.5
69.72705	7.6
70.06583	57.6
71.04975	5.4
73.02905	2.0
79.01830	2.7
79.05492	9.3
81.02959	1.9
81.03406	16.2
81.07048	11.9
83.04624	1.0
83.04982	11.8
84.04480	2.5
85.02892	17.5
85.06516	3.8
86.09682	4.5
87.04468	14.9
91.05453	3.1
93.07039	17.3
95.01310	2.8
95.04938	4.6
95.08591	6.7
97.02885	9.6
97.06516	4.2
98.97567	3.8
99.04446	9.0
99.08086	3.9
101.05984	1.8
105.05469	4.2
105.07018	4.1
107.04926	2.1
107.08585	15.2
109.02863	14.6
109.06500	10.6
109.10142	13.3
111.04440	3.8
111.08072	5.9
112.07599	53.7
113.02354	4.1
113.05971	2.9
113.21646	1.6
115.03923	8.6
115.07553	1.9
116.07125	1.5
116.98631	2.2
117.05502	1.8
119.08566	5.9
121.02854	5.4
121.06477	2.1
121.10122	28.5
122.03175	2.9
123.04382	1.8
123.08050	4.6
123.11685	4.2
124.07565	3.7
125.02341	3.2
127.03902	15.7
129.05449	3.4
131.04860	2.7
131.06996	3.0
131.08496	2.7
133.04948	13.3
133.06432	1.6
133.10107	2.7
135.08034	3.4
137.05971	8.0
137.09601	10.8
139.03879	2.7
139.11172	7.0
140.05956	2.0
140.07047	36.4
141.05518	1.8
143.03381	4.8
145.04941	7.7
147.11661	4.1
148.52525	1.3
149.05914	1.8
149.09552	4.2
151.03894	3.7
151.09695	2.9
151.11046	1.4
153.01814	70.5
153.05426	2.4
153.31227	1.2
158.08171	7.4
158.99643	1.8
161.13187	2.3
163.03990	1.9
163.06018	2.1
163.07465	1.8
165.12671	2.1
167.06978	4.7
167.10664	100.0
168.11012	2.9
169.12239	1.8
171.02841	9.7
176.42079	1.4
179.07011	2.3
183.06494	5.8
183.13850	9.0
185.11768	1.9
191.14233	6.3
209.15315	27.2
211.06001	1.5
211.09641	4.1
213.07469	1.9
223.09184	1.9
227.16383	71.7
228.16710	1.8
245.17412	16.0
259.11090	1.6
260.11487	3.1
266.10184	2.6
284.11206	9.7
291.10574	7.0
293.09079	4.1
294.09573	1.8
297.05972	9.0
302.12326	2.4
315.07129	15.7
317.10828	1.4
331.74692	1.4
380.52505	1.5
389.14035	3.7
407.12222	8.5
425.13077	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	407.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74350	1.0
51.98725	1.0
53.03942	1.6
55.01852	3.2
55.05499	3.4
57.03426	2.5
57.44561	1.1
57.95350	1.0
65.03926	2.6
67.05489	4.2
69.03411	2.5
69.07063	2.2
70.06548	1.0
70.93811	3.0
70.94169	1.5
71.04977	2.1
78.04688	1.1
79.05489	8.0
79.10427	1.2
81.03416	1.2
81.07037	4.9
81.97738	1.1
83.04967	4.7
83.08604	3.5
84.05301	1.4
84.08942	2.0
85.02892	3.0
85.06519	1.4
91.05466	36.5
93.07025	6.8
94.04192	2.9
95.04954	31.4
95.08600	2.4
96.05270	8.8
96.08924	1.3
97.06507	2.4
98.40170	1.1
99.04443	7.4
100.04798	1.2
103.05469	11.9
104.06276	1.6
105.07011	15.9
106.04198	1.4
107.04941	19.6
107.08577	5.0
108.05705	4.0
108.08926	2.4
109.06482	5.7
109.10142	4.4
115.05439	3.4
117.07051	3.2
118.04112	1.7
119.04087	2.2
119.04931	39.2
119.08572	1.9
121.06509	8.0
121.10131	2.3
122.03651	5.3
123.04388	6.5
123.08059	7.6
123.11678	1.7
125.05965	1.8
125.09692	1.8
127.03911	1.6
128.54680	1.1
129.07002	1.1
131.04904	20.5
131.08592	1.9
132.05698	12.1
133.02835	2.0
133.06468	15.0
133.10114	2.6
134.10493	1.3
135.04411	2.6
135.08054	5.3
136.05176	5.0
137.05956	100.0
137.09502	2.2
147.04356	6.7
147.08046	1.8
148.05190	1.5
148.11978	1.6
149.05951	7.9
149.09531	1.4
149.13226	1.6
150.13544	1.2
151.03955	1.5
151.07520	55.2
151.11182	5.1
152.04709	1.3
152.11505	3.6
153.05481	6.8
153.09064	6.8
154.09370	5.8
155.06941	1.6
160.05148	5.7
161.05948	29.5
161.07198	1.7
163.03856	3.3
163.06245	1.8
163.07521	16.1
164.04597	1.2
165.05444	9.2
165.09079	1.3
167.07011	41.1
167.14322	4.9
168.14624	5.2
169.08614	2.7
173.05965	4.0
175.07529	4.9
176.04578	1.7
177.05435	14.8
178.06165	1.2
179.05438	2.1
179.07008	41.2
180.07802	6.9
180.14670	1.6
181.05040	8.7
181.08571	44.4
182.09023	1.2
183.06551	3.0
183.45435	1.1
189.09094	3.5
191.06989	11.5
191.14134	1.4
192.07791	20.9
192.14572	1.9
192.39059	1.2
193.04938	2.0
193.08586	25.5
195.10091	1.8
196.94603	1.0
197.06236	1.5
197.08058	19.0
197.09729	1.6
205.08623	3.7
207.06508	5.0
207.10147	2.7
208.07239	4.7
209.08032	8.3
209.15324	22.5
210.08775	3.4
210.15685	39.2
211.07823	1.2
211.09648	1.4
217.08554	1.2
223.09596	5.6
225.07556	11.4
226.08261	3.0
227.16373	3.4
228.16798	2.4
235.09660	5.2
357.13254	29.4
389.15894	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	407.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10401	1.0
53.00310	1.1
53.03937	2.0
53.16306	0.8
53.62516	0.9
55.01859	2.1
55.05500	7.0
57.03436	2.2
65.03936	3.3
67.05495	2.6
69.03425	4.6
69.07050	1.5
69.79316	6.1
71.04984	26.6
73.06547	10.6
74.51354	0.8
79.05477	4.0
81.03392	3.7
81.07024	3.5
85.02901	5.3
85.06535	6.0
91.05468	31.6
93.07032	3.2
94.04173	1.8
95.04969	6.6
95.08593	2.7
95.37469	1.0
95.38073	0.9
97.02883	5.1
98.21406	2.0
99.04449	3.4
99.08049	1.3
101.06004	12.3
103.05441	8.0
105.03362	1.5
105.07015	6.2
106.04169	1.3
107.04943	11.5
108.05709	1.4
109.02843	3.9
109.06483	2.6
109.10146	2.9
110.03622	1.0
111.04410	1.5
113.05990	3.2
115.05476	1.5
117.06976	1.4
119.04923	29.5
119.05765	1.7
121.06509	3.5
121.10087	1.3
122.03615	4.7
123.04416	5.1
123.08043	2.8
125.06036	1.1
127.03904	7.1
127.07543	10.9
129.07027	1.3
131.04898	13.6
131.07045	2.4
131.08575	1.1
132.05705	2.2
133.02826	2.1
133.06441	5.8
133.10144	1.9
135.08046	2.8
136.05153	3.0
137.05959	100.0
138.06313	3.0
140.04703	1.3
145.08572	45.7
147.04387	2.8
147.08012	1.1
148.05188	1.0
149.05965	4.3
151.03873	1.5
151.07527	42.8
153.05470	2.6
153.09114	1.2
155.07056	2.5
157.08643	1.6
160.05194	2.8
161.05962	14.0
161.09654	1.2
163.03888	1.2
163.07533	12.1
165.05463	4.0
167.03329	1.8
167.07013	21.8
168.07410	1.0
169.88817	1.0
175.07524	5.1
177.05475	5.8
179.06987	11.7
180.07777	3.2
181.05013	11.7
181.08566	47.6
183.06537	2.4
189.09081	3.0
191.07010	3.8
192.07739	6.9
193.04913	1.5
193.08604	6.5
195.10234	1.1
197.08047	7.0
199.59641	0.9
205.08577	2.0
207.06447	2.4
207.10162	3.2
208.07281	3.7
208.29376	1.0
209.08093	5.7
220.56664	0.9
223.09561	1.7
225.07494	10.4
225.09119	0.9
226.08295	3.2
235.09589	2.6
237.09125	1.1
245.17445	1.3
259.11707	5.8
276.34659	1.3
329.16028	1.1
333.06985	0.9
357.13242	8.6
371.16782	1.9
389.16092	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	407.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94036	0.8
53.03940	5.2
55.01861	3.0
55.05505	4.7
57.03424	4.7
57.07062	1.5
58.99563	1.8
59.04974	2.7
59.25527	0.8
61.02908	3.6
61.42326	0.9
67.05495	10.9
69.03076	1.5
69.03425	24.0
69.07061	24.8
70.03782	1.0
70.06586	5.5
71.04983	12.8
71.61401	1.7
73.02908	2.4
73.06544	1.9
74.06070	1.7
76.02195	1.8
76.12820	0.9
79.05484	61.9
81.03410	17.6
81.07046	4.2
82.07352	1.7
83.04977	1.9
83.08606	1.3
84.04494	3.0
85.02894	32.9
85.06517	2.1
86.09683	3.9
88.22004	1.1
89.06001	2.1
90.06321	1.0
91.05433	1.8
93.07047	1.8
95.01319	51.0
95.04965	5.8
95.08593	2.5
97.02883	13.4
97.06522	34.1
98.06817	1.1
98.09669	2.0
98.97532	1.9
99.04433	5.5
103.05456	1.0
105.07030	1.6
107.04929	1.1
107.08560	1.9
109.02864	17.9
109.06541	2.6
109.10149	1.4
110.03183	0.9
111.04438	1.0
111.08071	2.0
112.07594	3.1
113.02357	100.0
113.06006	7.6
114.02663	1.3
114.85938	0.9
115.03854	1.0
115.07555	23.4
116.01650	1.1
117.05471	1.1
119.08551	1.5
121.06435	1.2
121.10107	1.9
123.04406	2.0
124.07534	1.0
125.02314	1.4
127.03908	24.2
127.07504	1.0
128.04185	1.3
131.04932	1.8
133.04973	1.2
133.08594	39.1
133.10117	1.8
135.04398	1.5
137.05981	4.6
139.03865	1.5
139.07532	1.5
140.07040	2.0
145.04948	3.1
146.99684	1.4
147.04364	1.2
149.05908	1.4
151.09639	60.5
153.01842	4.0
153.05479	1.6
154.02136	1.8
154.04945	1.0
156.08337	1.1
157.08572	2.5
157.10611	1.3
158.99678	1.1
162.02246	2.1
163.03897	1.3
167.07010	21.4
167.10576	1.5
167.14452	1.3
174.09389	1.2
179.06963	1.2
181.08600	1.1
187.14346	1.0
193.08687	1.1
209.15298	6.0
211.09595	5.0
221.04416	1.6
229.10629	2.7
237.02885	1.2
239.05486	16.8
240.05592	1.1
245.10062	1.1
257.06561	13.1
259.11084	4.8
260.11374	11.4
293.09134	1.6
407.13080	5.2
407.18588	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	407.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01864	1.0
55.05484	1.3
57.03400	1.0
58.57925	0.8
65.03938	0.8
67.05474	1.3
69.03403	3.5
69.07036	2.3
69.52166	0.7
69.60413	5.6
70.92957	0.8
71.05000	4.1
71.05299	0.8
78.03430	1.9
79.05488	1.2
80.04993	1.2
81.03401	4.6
81.07063	4.5
83.04980	0.9
84.04475	0.9
85.02899	3.8
85.06571	1.0
91.05463	1.6
92.05782	1.0
93.06995	1.4
95.04951	1.5
95.08587	2.2
96.91145	0.8
97.02898	1.5
97.06553	1.2
97.44061	0.7
99.04450	1.5
99.08071	3.0
105.07030	2.2
106.02904	8.7
107.04919	0.9
107.08615	1.2
108.04448	2.1
109.02858	10.6
109.06473	1.5
109.10153	0.8
111.04422	1.0
119.04918	0.9
120.04456	2.4
121.02850	3.2
122.03191	1.1
123.04407	1.6
123.08048	1.0
124.03947	18.5
127.03886	2.7
133.10144	1.4
135.08078	0.9
137.02327	0.9
137.05966	2.0
137.09567	0.9
138.05484	3.3
141.05420	2.2
151.07526	1.7
152.07071	0.9
153.05446	1.0
154.04971	1.5
161.05960	2.6
165.09070	1.0
167.06992	2.5
177.05444	1.1
178.04944	6.4
179.06955	1.9
181.04958	3.3
183.10229	1.1
188.03413	6.1
189.09056	0.9
192.07980	1.0
193.08575	1.2
196.05972	4.7
197.07971	0.8
199.08644	2.2
206.04416	2.2
209.18524	0.7
210.09026	0.9
212.08974	1.3
213.10233	3.0
215.08200	0.8
217.09731	1.0
223.08582	2.9
224.09248	1.6
227.08139	9.6
227.12149	0.7
229.09599	1.1
236.09206	0.9
237.10172	9.1
238.10735	1.4
239.08064	1.0
239.11804	3.4
241.09651	9.1
244.12405	1.4
245.09148	2.6
250.06947	5.8
251.08122	10.4
252.08954	1.0
253.09795	1.5
255.07545	6.5
255.11261	1.9
255.26253	0.8
257.12863	1.2
259.10852	1.2
260.11356	1.9
265.09662	12.4
266.07886	1.3
266.10382	2.1
267.11285	3.6
268.07968	6.6
269.09195	31.5
269.12183	1.7
270.09763	1.6
271.10672	2.5
273.08673	11.4
279.07602	19.7
280.08243	1.9
283.10782	7.4
285.12234	2.6
287.10184	3.3
289.11542	0.9
293.09189	20.3
295.10770	1.6
297.08673	46.8
298.09109	2.7
299.10257	1.3
301.11667	0.8
305.11304	1.6
311.10193	8.5
313.11823	3.6
314.10168	1.6
315.09726	17.1
315.13327	1.6
316.10147	1.5
321.08636	10.8
325.11795	7.1
329.11169	4.9
331.12827	1.3
333.10767	17.5
339.09711	25.0
340.09897	1.1
343.12750	8.1
345.14395	1.1
347.12369	1.4
357.10519	12.9
371.12274	16.0
375.11783	3.4
389.13358	100.0
390.13794	5.5
399.99164	0.8
407.14166	11.6
408.12646	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	406.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.5
55.66916	2.7
65.19820	2.4
67.05488	6.3
69.03419	6.7
69.07042	7.2
69.69401	18.6
71.04981	6.2
79.05486	7.5
81.07045	10.8
83.04958	7.9
85.02896	10.3
91.05445	6.0
93.07038	18.3
95.04941	5.0
95.08592	10.0
98.21532	2.7
103.05482	5.4
105.07008	15.9
107.04908	7.9
107.08589	27.3
108.05272	2.5
109.06526	5.7
109.10155	14.1
111.07984	2.5
115.05499	2.7
119.08558	14.7
121.10133	15.1
123.04401	4.5
123.08045	19.4
123.11667	2.3
124.03933	3.4
131.04909	6.6
131.08545	5.0
133.06551	2.6
133.10097	16.4
135.08044	6.8
135.11664	3.7
137.05971	5.3
137.09592	5.9
139.11113	2.5
141.07040	2.7
141.09084	4.4
145.10092	5.2
147.11641	14.4
149.09561	3.2
149.13210	10.1
151.11153	11.2
153.09100	11.2
154.09880	4.1
155.10544	3.9
161.06003	5.9
161.13237	11.5
162.06364	3.9
163.07512	7.8
163.14804	9.5
164.07909	5.3
167.07031	51.5
168.07353	34.8
173.13208	13.9
175.14804	3.1
178.04897	2.7
179.14217	4.2
181.04930	2.7
181.08582	2.7
189.12782	4.7
191.14345	19.5
193.08557	10.7
194.08928	8.8
209.15340	100.0
209.17331	5.0
210.15666	4.8
227.16359	5.4
249.64618	2.7
259.11118	11.9
269.09207	8.5
278.43903	2.7
279.07840	3.7
293.09235	4.4
297.08710	11.7
315.09622	4.2
321.08667	4.5
333.10831	4.1
339.09653	6.4
357.10486	3.1
375.11957	2.9
380.15771	2.5
389.13327	32.7
396.33054	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	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
54.50068	0.6
55.05505	9.4
57.03410	1.1
59.04996	0.8
61.02917	0.7
67.05484	1.6
69.03407	2.6
69.07035	0.7
69.88364	1.2
69.88779	2.1
71.04980	2.8
72.48045	0.5
78.56342	0.6
79.05480	1.8
81.07062	3.4
83.04974	8.7
83.08134	0.8
83.08607	9.6
85.02896	5.7
85.06531	2.1
91.05458	4.5
92.40977	0.6
92.80553	0.7
93.07028	2.4
93.67966	0.5
95.04955	54.0
95.08582	2.0
97.02882	1.4
97.06516	1.5
97.10133	1.6
99.03825	1.0
99.04443	12.9
99.08064	0.8
103.05428	1.1
105.07007	2.4
107.04939	1.9
107.08591	4.4
109.06487	1.7
109.10155	5.8
111.08071	3.3
115.07545	0.7
116.06206	0.7
117.26633	0.6
119.04938	4.3
119.08541	0.7
121.06446	0.8
121.10147	2.9
123.04395	0.7
123.08047	1.3
123.11690	2.2
125.09618	2.2
127.03901	0.7
131.04933	2.2
131.08514	1.2
132.05676	1.1
133.06451	1.0
133.10106	5.7
135.08057	1.1
137.05971	11.8
139.11186	0.7
145.04848	0.7
145.10138	1.0
147.11633	1.8
149.05983	0.8
149.09531	0.6
149.13222	2.5
151.07559	5.2
151.11160	13.6
152.11519	0.6
153.07887	1.2
153.09087	18.9
156.56908	0.6
161.05959	3.9
163.07536	1.3
165.05450	0.9
167.07030	4.5
167.14290	15.1
171.10150	0.7
173.06049	0.6
173.13275	2.9
177.05450	1.6
179.07016	4.3
181.04987	1.5
181.08549	5.2
188.45044	0.5
191.07013	1.1
191.14279	4.0
192.07765	2.7
193.08582	2.1
193.15941	1.1
197.08044	2.1
209.15337	100.0
210.15636	2.9
223.09723	0.9
225.07448	1.0
227.16345	5.0
246.91917	0.7
262.74884	0.6
356.46622	0.6
357.13248	3.5
371.20422	1.4
389.15787	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.05490	4.1
57.03414	3.9
57.07068	1.8
59.04977	3.5
60.29063	1.4
67.05483	5.1
69.03423	8.0
69.07051	5.3
69.49458	8.0
69.49888	5.8
71.04976	3.6
73.02857	1.6
78.03471	2.0
79.05465	6.2
80.47131	1.7
81.03394	4.8
81.07030	13.7
83.04969	4.6
85.02891	17.2
85.06510	4.3
91.05453	7.9
93.07034	14.5
95.04967	14.3
95.08581	13.5
97.02864	4.8
97.06517	10.8
97.10166	1.7
99.04425	4.7
99.08076	2.3
103.05424	2.0
105.07011	16.4
106.02889	8.7
107.04920	1.9
107.08572	17.4
108.05799	1.6
109.02880	2.5
109.06503	24.1
109.10125	13.9
111.08046	2.1
115.07536	3.7
117.07011	2.3
119.08559	7.1
121.06488	6.3
121.10130	22.1
123.04409	1.8
123.08017	9.6
123.11668	4.2
124.03919	20.1
125.09592	2.0
127.03883	4.3
127.07554	4.0
131.08577	9.2
133.10109	41.7
135.07999	9.6
135.11664	5.2
137.05942	7.2
137.09593	4.1
139.11157	2.0
145.04916	3.1
145.10083	4.5
147.11653	15.2
149.09593	3.7
149.13237	10.9
151.07532	3.3
151.11166	2.4
153.09077	12.0
154.09796	1.5
155.10646	3.0
158.10916	1.6
161.05962	2.5
161.13301	2.5
163.07504	2.6
163.11131	3.4
163.14827	4.6
165.12709	3.5
167.07018	4.8
167.10663	1.7
171.10135	1.7
173.13232	25.2
179.07048	2.4
181.04941	3.2
181.08568	3.8
188.10472	1.7
191.14256	44.8
207.10129	1.4
209.15331	100.0
210.15715	2.9
227.12923	2.7
227.16371	75.6
228.16664	3.8
250.06955	3.0
259.11072	4.9
265.10144	1.6
266.07950	1.9
268.08069	3.7
269.09189	2.9
284.09042	1.8
297.08582	3.2
333.10333	2.0
346.10928	2.5
375.11801	2.7
389.13107	9.9
390.11829	2.3
406.14490	7.5
407.14136	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01854	5.8
57.03425	4.7
58.99575	1.3
59.04976	1.6
61.02922	7.2
69.03419	18.4
69.80241	11.3
71.04985	2.5
73.02910	1.9
76.02239	3.8
77.75031	1.6
79.05475	4.9
81.03398	6.4
81.07047	6.0
82.02839	1.5
83.04960	5.2
84.04507	4.0
85.02417	2.7
85.02899	48.9
87.04451	2.1
89.03913	1.6
91.03930	1.6
91.05477	13.6
93.07036	6.3
95.04936	4.8
97.02888	23.5
98.21397	2.8
99.04469	7.6
99.45054	1.6
103.05467	9.3
105.03387	3.5
105.07029	1.9
107.04952	7.3
108.04370	1.8
109.02855	7.5
109.06496	8.8
116.01672	3.0
117.03416	1.9
119.04897	4.7
120.44920	1.5
121.02855	3.2
121.06475	14.3
121.10123	2.0
123.04424	4.8
125.02383	1.6
127.03919	15.7
131.04938	14.3
133.02840	35.5
133.04944	2.0
133.06435	1.7
133.11847	1.5
134.03592	3.1
135.04396	2.8
137.05960	20.1
139.03857	3.2
140.04620	1.6
140.47304	1.5
145.02843	3.4
145.04959	13.3
147.04427	3.4
148.05168	5.1
149.05966	30.2
151.03955	1.6
152.04576	1.7
153.01810	4.6
155.07004	8.6
156.08424	2.2
156.10173	2.4
159.04353	10.5
161.05956	2.9
162.02107	2.3
163.03911	3.5
163.07497	3.5
165.05457	35.1
166.06081	2.4
167.07034	41.9
169.04947	17.2
174.09444	2.2
175.07491	1.7
176.04691	2.0
177.05463	76.2
178.05919	2.6
181.08594	2.7
182.05727	4.4
183.13802	2.7
191.07001	6.2
193.04985	1.9
193.08455	2.2
194.05746	3.3
197.08080	99.1
198.08398	2.7
199.06029	4.9
209.08073	100.0
209.15247	7.6
210.08434	3.5
217.07066	2.6
221.08072	2.0
227.09109	40.7
227.16512	2.0
244.11632	2.4
247.09711	2.1
251.08977	2.7
257.04431	1.6
259.11237	15.5
263.09317	1.7
275.71631	1.8
305.10043	2.5
406.10822	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	406.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.6
55.05495	1.4
56.05034	4.9
57.03436	6.1
58.09410	0.7
58.99318	0.8
58.99582	9.0
61.01167	0.9
61.02903	2.3
66.67299	0.8
67.05495	1.3
69.03424	4.7
69.07058	1.3
70.02942	0.9
70.06583	1.8
71.04977	0.7
71.61952	0.6
71.62434	0.8
71.62794	0.7
73.02914	4.8
74.00658	1.4
76.02222	16.8
76.03999	1.5
79.05486	3.3
80.05000	0.8
81.03387	1.9
81.07047	16.2
83.04974	1.0
83.06094	1.4
84.04500	20.4
84.08115	0.8
85.01120	2.5
85.02897	10.9
86.00639	3.9
86.99049	4.9
87.02682	4.6
88.02212	1.3
91.05486	1.0
93.07020	1.2
94.06550	1.1
95.04948	1.6
95.08591	3.4
96.04524	0.9
96.08108	1.0
97.01117	1.6
97.02895	7.0
97.06533	1.8
98.09076	1.2
98.09682	12.7
99.04441	0.8
99.08099	3.3
102.05516	2.9
105.07001	1.6
107.04895	0.7
107.08620	1.0
108.05311	0.9
109.02881	1.7
109.06540	1.0
110.09649	2.1
111.08076	1.1
112.03959	3.3
113.02363	1.0
113.04215	5.9
114.05464	0.7
115.03899	3.3
115.05797	1.4
116.01668	14.1
121.02855	3.8
121.06467	1.1
121.10142	0.9
122.09655	1.1
123.04424	1.1
123.08068	1.2
126.09134	0.9
127.03873	5.0
129.06589	3.0
130.04993	6.0
130.06827	3.6
130.08592	1.4
131.08539	0.6
133.04939	3.7
133.10074	0.8
137.05968	1.1
138.05528	0.9
138.09122	0.8
139.03874	1.6
139.05742	2.2
142.03189	1.7
143.02704	1.0
144.01128	6.0
145.05067	3.6
145.06009	1.7
145.10115	0.7
149.05981	1.0
153.01814	12.1
154.02174	8.1
154.08673	1.0
156.08408	20.8
156.10179	11.5
157.06822	7.5
162.02194	15.8
163.06001	1.9
167.07040	6.4
171.02873	1.0
172.03268	0.8
174.09459	11.2
177.05457	2.6
179.04831	5.5
182.08189	0.8
189.03250	1.4
191.00569	0.7
191.07037	0.9
208.09715	0.7
209.08066	2.1
209.15309	1.6
210.11191	2.3
216.06848	3.9
217.07135	0.9
227.09282	3.1
233.05899	1.2
244.05719	1.6
244.09683	6.1
244.15533	1.0
245.05934	0.7
259.11096	100.0
260.09146	1.2
260.11447	2.6
283.08023	0.9
283.50531	0.8
285.12579	1.9
313.12054	2.9
316.07401	2.3
331.13235	4.2
374.12976	1.0
388.15134	0.9
389.13736	0.9
406.10785	2.1
406.16211	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	406.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02993	0.5
53.03934	0.7
55.01867	2.3
55.05497	1.4
56.05027	4.5
57.03419	4.0
57.53758	0.5
58.99575	8.9
61.01138	0.7
68.05010	1.0
69.07048	1.4
69.66923	1.5
69.67344	2.1
70.02937	0.5
70.99543	0.5
73.01105	0.9
74.00643	1.2
76.02216	18.3
76.03973	1.4
78.16536	0.4
79.05463	3.2
80.05009	1.0
81.07047	14.2
82.06592	0.4
83.06097	1.0
84.04490	21.3
84.08158	0.5
85.01103	2.4
85.02911	0.4
86.00659	3.3
86.99023	4.9
87.02682	3.9
88.02182	1.7
93.06978	0.6
94.06567	1.0
95.08606	2.4
96.08102	0.9
97.01083	0.6
97.06497	1.4
98.09073	0.8
98.09666	8.7
99.08063	3.6
102.05512	3.9
105.07017	1.3
105.77875	0.5
110.09655	1.7
111.02636	0.5
112.03940	2.9
113.04214	5.4
114.03732	0.5
115.02145	0.5
115.05774	1.1
116.01660	18.1
116.02486	1.1
121.02834	3.5
122.09642	0.9
123.08028	0.8
123.10434	0.8
127.05769	0.8
129.06566	1.6
129.07378	0.6
130.04990	6.4
130.05856	0.8
130.06850	3.8
130.08615	2.1
139.05750	1.0
142.03148	1.7
143.02611	0.5
144.01123	6.9
145.05984	1.0
156.08391	18.2
156.10173	9.4
157.06830	6.4
161.52693	0.5
162.02170	15.7
170.02637	0.6
174.02251	0.6
174.09473	11.1
178.14726	0.5
179.04805	8.5
187.05363	0.8
188.03716	0.6
189.03334	0.9
202.78854	0.5
210.11212	2.2
215.04845	0.6
216.06860	4.9
223.79834	0.5
233.05838	2.1
242.08380	0.9
245.05789	0.5
259.11078	100.0
260.09344	1.5
260.11691	3.2
277.12161	1.8
283.08078	0.6
285.12598	2.1
291.06357	0.7
308.09146	0.8
313.12018	3.3
331.13211	5.4
343.13181	0.5
346.24380	0.5
388.15271	1.3
406.16403	6.1
407.16699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01865	5.4
55.05502	25.8
57.03431	3.5
57.07074	12.3
61.76392	2.2
65.03931	2.5
67.05493	35.5
69.03410	3.6
69.07060	59.3
69.87471	2.1
71.04977	24.0
71.08617	5.1
71.62984	4.3
79.05487	18.0
79.99197	2.1
81.03410	3.2
81.06569	4.6
81.07047	87.8
82.07347	2.3
83.04935	2.8
83.08612	30.6
85.06533	100.0
91.05451	13.7
93.07031	48.9
95.04942	3.7
95.08595	97.7
97.06520	8.8
97.10143	15.6
99.08090	6.9
101.09654	3.4
105.07008	20.1
107.08582	57.3
109.02886	3.8
109.10143	61.4
111.08064	9.0
111.11712	8.3
113.00009	2.9
115.11203	2.0
117.07013	4.5
119.08556	19.9
121.06523	3.2
121.10126	39.3
123.08078	3.5
123.11696	35.0
125.05950	2.9
125.13226	2.4
127.03893	22.7
131.08554	8.2
133.10107	16.2
135.08044	3.5
135.11674	27.6
137.05931	2.4
137.13237	19.3
139.03905	3.6
139.11171	4.9
143.08559	4.5
145.10091	10.6
147.11687	14.1
149.13229	39.1
151.14825	8.5
153.05484	3.7
153.12668	4.2
157.10091	4.2
159.11702	11.3
161.13261	9.6
163.14798	30.2
165.16394	3.3
167.07053	8.4
167.14348	6.4
169.02538	2.7
171.11678	3.3
173.13287	5.4
175.14806	12.0
177.16396	11.2
179.14442	2.5
181.15849	11.8
183.10143	2.5
183.11630	3.2
187.14830	9.1
189.16382	7.9
191.17996	8.1
193.17746	2.2
193.19453	3.7
195.17493	3.7
199.14890	4.4
201.16347	5.8
203.18010	4.3
205.19479	6.2
209.18964	4.4
211.14925	2.5
213.16386	2.6
215.17958	2.9
217.19516	4.6
219.21011	5.2
221.13091	2.5
223.20601	3.8
227.17912	3.1
237.22041	3.3
245.22527	2.6
255.21014	2.3
257.22754	3.5
263.23718	5.8
328.90097	2.0
369.24197	3.9
369.35498	3.1
377.30328	13.8
387.24979	2.8
387.29132	5.4
387.36176	18.1
405.25943	3.9
405.30505	11.2
405.36353	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	405.3722
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
57.07060	5.1
67.05487	1.7
68.45972	1.4
69.07047	4.9
70.04193	6.6
71.08619	4.2
81.07050	1.3
82.64696	1.1
83.01329	2.3
83.08591	4.0
85.10146	4.0
93.07022	7.7
95.08601	6.8
97.10108	1.4
107.08601	1.6
109.10160	1.9
111.08067	5.9
111.11655	1.2
121.10120	1.6
123.08014	1.6
125.05984	2.5
125.09603	2.3
127.07500	2.2
133.10143	1.6
139.07535	16.1
140.45128	1.1
140.46533	1.1
151.11201	2.8
153.09113	6.4
167.10641	6.6
181.12262	6.4
195.13774	8.6
209.15358	3.6
223.17015	2.3
237.18512	2.0
242.42879	1.4
251.20047	1.4
265.21564	1.9
279.23096	1.7
315.25165	1.1
405.37231	100.0
406.37558	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	405.372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	20.5
57.07048	11.0
67.05498	37.3
69.07059	44.3
69.27499	35.0
69.27914	11.4
71.04990	20.4
71.08605	13.8
77.39863	3.5
79.05477	16.5
81.07044	74.4
83.08582	26.4
85.06535	58.6
91.05453	16.2
93.07025	55.3
94.12798	4.4
94.15358	4.3
95.04935	4.8
95.08593	100.0
97.06488	12.1
97.10114	7.6
105.07009	20.6
105.29038	4.2
107.08572	75.1
109.10131	90.3
111.08033	11.3
111.11684	5.4
111.61505	4.0
119.08561	20.0
121.10118	47.3
123.08006	6.5
123.11696	30.5
125.05917	6.2
125.13150	4.6
127.03927	4.8
127.11169	40.7
131.08556	8.8
133.10091	15.7
135.11658	32.1
137.13231	19.8
139.07471	5.4
145.10089	8.3
147.11681	10.3
149.02341	24.7
149.13217	48.0
151.14746	5.3
153.12692	5.8
157.10089	8.2
159.11673	14.9
161.13205	10.1
163.14806	28.9
167.07077	8.9
167.14268	13.0
171.11734	5.7
173.13142	9.0
175.14734	3.9
177.16360	8.2
181.15866	19.2
188.61545	4.2
189.16428	7.5
191.17880	5.8
199.14696	6.1
201.16245	4.7
205.19450	9.0
209.18930	5.1
217.15787	4.5
219.21037	6.8
223.20575	15.8
225.16391	4.2
226.06563	4.0
237.21867	4.7
240.61493	3.9
369.35065	5.8
387.36591	18.3
405.27719	28.8
405.36682	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.9
57.03424	0.8
57.07067	8.9
61.87320	0.4
67.05489	1.0
69.03419	0.5
69.07059	9.1
71.08620	5.7
71.30576	0.4
71.30920	0.5
74.90342	0.3
79.05489	1.0
81.07051	2.6
83.01328	7.4
83.04961	0.9
83.08603	5.2
85.02869	0.4
85.06540	0.8
85.10165	2.8
91.05451	1.1
93.07021	2.1
95.08603	2.1
97.06506	2.6
97.10149	4.4
102.33807	0.4
105.07086	0.6
107.08580	3.0
109.06501	1.1
109.10135	1.3
111.08075	3.1
111.11693	1.4
119.08556	0.8
121.06483	2.2
121.10125	2.6
123.08044	2.5
123.11708	0.9
125.05972	3.7
125.09604	4.9
126.06757	0.7
127.07550	3.0
133.10071	0.7
135.08015	0.7
135.11667	1.5
137.09581	2.3
139.07520	38.3
139.11115	2.9
140.07860	0.7
145.10092	0.8
149.09627	0.6
149.13258	0.8
151.11165	3.3
153.09088	4.8
153.12720	1.4
159.11646	0.7
161.13319	0.3
163.11076	0.7
165.12726	0.7
167.10667	5.3
167.14354	0.5
177.12637	0.5
179.14255	0.6
181.12218	8.6
181.15820	0.4
187.14728	0.4
191.14307	1.0
195.13788	6.7
209.15356	5.0
223.16939	3.2
237.18474	1.3
251.20082	1.7
263.33011	0.4
264.94278	0.3
265.21710	1.4
279.23029	1.8
283.66681	0.4
293.24698	1.1
335.29343	0.6
349.31097	1.0
387.36188	1.5
401.75024	0.4
405.37231	100.0
406.37595	6.1
417.62436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3719
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05501	5.0
57.03411	0.9
57.07065	9.0
62.31521	0.4
65.31379	0.4
67.05508	2.1
67.09851	0.4
69.03395	0.6
69.06715	0.6
69.07056	7.8
69.92915	1.9
71.08269	0.5
71.08619	6.0
77.52547	0.4
79.05466	0.8
81.07038	2.1
83.01329	6.1
83.04981	0.6
83.08598	4.7
85.06554	0.3
85.10145	2.6
91.05449	1.3
93.07022	6.6
95.04949	0.4
95.08591	5.7
97.06493	2.6
97.10149	2.8
105.07003	0.7
107.08576	3.7
109.06501	1.2
109.10136	1.7
111.08057	4.4
111.11683	1.1
119.08553	0.6
121.06457	1.0
121.10128	2.6
123.08038	2.0
123.11692	0.6
125.05951	3.5
125.09606	4.0
125.13198	0.6
127.07507	2.5
128.42853	0.4
133.10100	0.6
135.08006	0.9
135.11673	1.2
137.09607	1.7
139.07507	17.6
139.11163	2.3
145.10037	0.5
149.09601	0.8
149.13260	0.6
151.11172	3.2
153.09088	4.8
153.12709	1.7
159.11667	0.6
163.11159	0.6
163.14803	0.7
165.12764	0.9
167.10641	7.1
167.14363	0.6
173.13258	0.4
177.12712	0.9
181.12202	7.8
191.14255	0.7
195.13762	6.3
196.14162	0.4
205.15968	0.4
209.15311	4.5
219.17368	0.7
223.16875	3.0
237.18459	1.2
251.19934	1.3
265.21573	2.1
279.23163	2.2
293.24747	1.1
307.26178	0.9
321.27844	0.9
324.57318	0.4
335.29340	1.1
349.30957	1.0
351.74579	0.3
387.36099	1.0
405.37192	100.0
406.37531	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	405.3357
Annotation	3beta-Hydroxy-15-[3-methylvaleryloxy]-ent-labda-7,13E-dien
Peak:m/z	Relative Intensity
52.27143	4.4
55.05508	23.3
57.07062	13.8
61.88931	3.9
67.05499	33.5
69.03413	6.8
69.07046	29.5
71.04993	21.4
71.08628	6.9
71.62176	4.8
71.62598	6.5
79.05477	14.9
81.07055	49.3
83.08609	15.1
85.06522	15.3
91.05467	17.9
93.07029	69.1
95.08585	56.7
97.06525	5.6
97.10152	8.1
99.04490	5.1
105.07031	37.6
107.08574	75.4
109.06523	7.5
109.10157	47.5
111.08057	8.2
117.06999	7.8
119.08566	71.7
121.10121	77.2
123.08035	7.4
123.11699	33.6
125.05937	5.4
125.09618	10.4
127.03919	6.2
127.11172	38.0
131.08510	13.0
133.10101	55.5
135.11674	82.9
137.05954	5.4
145.10085	20.6
147.11668	39.0
149.09723	4.7
149.13257	16.2
151.11118	22.6
153.12749	15.4
157.10051	10.2
159.11685	29.3
161.13203	51.0
163.14806	16.9
165.12761	19.0
167.07014	8.9
169.10107	7.6
171.11642	12.5
173.13286	12.6
175.14795	10.4
179.14261	19.2
185.13287	7.1
187.14845	14.7
189.16405	20.9
191.17838	7.6
194.91245	4.5
197.13138	4.5
201.16386	20.4
203.17903	56.2
213.16325	6.3
215.18002	8.9
221.18861	9.7
233.18939	4.8
267.20920	6.9
269.96112	5.0
271.24225	9.1
289.25229	18.1
301.25217	6.6
369.31561	32.8
387.28299	6.2
387.32608	100.0
405.34256	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	405.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
57.07060	0.7
60.26730	0.3
60.53110	0.3
63.46781	0.3
63.64465	0.3
69.03419	0.5
69.07028	0.6
71.08624	0.6
72.43307	0.3
81.07039	0.8
85.02896	6.7
95.08588	0.8
97.02882	3.5
107.08567	0.6
111.04424	2.0
119.08507	0.5
121.10059	0.4
127.03904	3.8
137.13344	0.3
139.03882	100.0
140.04198	1.1
145.10046	0.3
145.26250	0.3
150.44763	0.3
153.05412	0.7
167.07074	0.4
189.92216	0.4
405.33603	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	405.3357
Annotation	3beta-Hydroxy-15-[3-methylvaleryloxy]-ent-labda-7,13E-dien
Peak:m/z	Relative Intensity
55.05482	1.8
57.03418	0.6
57.07050	2.2
65.03870	0.7
67.05490	3.6
69.07073	3.9
69.51928	4.9
71.04958	0.8
79.05473	4.8
81.03353	0.7
81.07044	37.7
83.08578	2.1
85.06519	3.3
91.05463	4.1
92.69711	0.6
93.07027	7.9
95.04961	0.8
95.08588	19.8
97.06472	0.7
97.10175	0.7
105.07010	10.6
107.07854	0.9
107.08579	16.8
109.06499	42.2
109.10143	6.9
110.06831	1.3
111.08067	4.4
117.06999	0.9
119.08559	14.1
121.10117	13.6
123.08061	8.2
123.11692	6.5
125.09592	0.9
131.08527	1.1
133.10109	7.5
135.11659	6.9
137.09601	1.5
137.13243	4.9
139.53970	0.7
145.10103	4.2
147.11665	16.5
149.13254	5.1
151.11116	0.8
151.14696	0.7
157.10091	1.3
159.11674	2.7
161.13257	4.6
163.14798	7.9
165.12724	100.0
166.13065	2.4
171.11652	0.7
173.13220	2.2
175.14792	4.4
177.16309	1.5
179.14296	2.4
183.12222	1.0
183.13748	6.1
185.13237	1.6
187.14789	2.9
189.16359	22.5
190.16664	0.9
191.17984	1.9
193.15857	0.7
195.13710	0.6
195.52002	0.5
197.13380	0.8
201.16348	2.7
203.17909	3.9
205.19505	1.6
207.17395	9.4
213.16388	1.8
215.17894	3.7
221.18994	1.9
225.16547	0.6
227.18013	0.9
233.18927	1.4
351.30356	1.3
369.27448	0.8
369.31525	9.4
387.32562	27.6
388.32849	1.0
402.16510	0.7
405.33606	86.8
406.33798	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2628
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03925	1.9
55.01861	1.9
55.05259	1.5
55.05504	20.0
57.03424	1.2
57.07055	3.0
59.04980	2.6
67.05167	1.4
67.05498	17.9
68.99782	2.6
69.03404	4.7
69.07059	17.5
71.04964	3.9
71.62861	1.5
74.23138	1.0
79.05475	11.7
81.03407	1.6
81.07049	29.1
83.04965	7.5
83.08605	6.7
84.86816	1.0
85.06538	14.7
90.33105	1.1
91.05460	9.6
91.46850	1.1
93.07029	30.6
95.04933	2.0
95.08593	40.1
97.06533	6.6
97.10152	3.1
99.04446	8.5
99.08110	1.4
101.06004	22.4
105.07005	19.0
107.04932	1.4
107.07848	2.4
107.08582	48.6
109.06539	5.8
109.10145	26.6
111.08061	5.7
111.11694	1.2
113.29040	1.0
115.07552	2.4
117.07017	4.0
119.07782	2.1
119.08569	30.9
121.06466	5.2
121.10129	48.2
123.04449	1.2
123.08070	5.6
123.11706	10.6
125.05984	8.6
125.09621	5.8
127.07565	1.9
129.06998	1.5
130.07764	1.4
131.08540	6.7
133.06477	1.2
133.09091	1.6
133.10114	32.0
135.08054	5.5
135.11673	40.0
136.12004	1.6
137.05951	3.3
137.09590	12.3
137.13246	4.2
139.11116	1.5
141.06989	1.5
141.09016	1.4
143.07018	6.5
143.08524	3.3
145.10103	11.8
147.04417	1.5
147.07980	2.2
147.11658	23.1
148.12015	1.3
149.02284	1.4
149.09587	6.3
149.13239	17.8
151.07558	1.4
151.11176	12.4
153.09082	3.1
154.07050	1.2
155.08473	2.3
156.09258	1.0
157.10124	7.5
159.08113	1.0
159.11668	14.5
161.09578	3.1
161.13257	9.2
162.06369	1.1
162.13835	1.2
163.11179	13.8
163.14807	31.0
165.12737	16.4
167.06984	1.8
167.10655	3.3
167.14310	1.2
169.10086	2.0
169.12294	1.6
171.11649	6.9
173.13257	7.4
175.11195	6.0
175.14841	3.2
177.12717	14.9
178.13023	1.1
179.10663	2.4
179.14227	1.6
181.08586	5.1
181.12230	5.0
183.11665	3.3
183.13513	1.1
185.11710	1.2
185.13249	4.5
187.11166	1.1
187.14804	4.5
189.12744	4.1
189.16351	7.4
191.14313	2.7
193.12210	9.1
195.10165	2.3
195.13771	13.7
199.14839	4.4
201.16405	3.2
203.14291	4.2
203.17960	3.0
205.12131	1.3
205.15816	1.5
207.13737	7.2
207.17398	2.6
209.13297	1.8
209.15340	2.7
213.16347	2.4
217.15964	2.7
221.15335	2.8
225.16422	1.3
227.17937	3.7
231.17451	1.2
243.17404	1.4
245.18993	5.8
247.16756	1.8
258.19864	1.8
259.20612	2.1
261.18588	1.3
263.20032	46.3
275.20230	1.4
277.21664	4.6
313.21652	1.3
323.23645	3.9
341.24701	14.5
343.26392	2.5
351.23215	2.4
359.25748	100.0
360.26025	5.5
361.27704	1.3
369.24237	12.8
377.26816	21.7
378.27039	1.4
387.25232	9.9
405.14655	2.0
405.26279	53.9
405.30661	2.7
406.26401	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	405.1903
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
51.02376	0.5
53.03926	0.5
55.01844	0.7
55.05492	0.4
65.03929	0.5
67.05493	0.6
69.07053	0.5
69.56738	2.0
71.04974	0.6
72.62116	0.3
72.89296	0.2
78.04704	2.3
78.52787	0.3
79.05061	0.3
79.05484	4.3
81.03400	0.3
81.07034	1.5
85.02888	0.8
85.06512	0.5
91.05474	3.0
93.07023	1.1
94.04177	0.3
95.04948	1.4
95.08574	0.9
96.05725	0.4
97.06499	0.4
99.08069	0.4
103.05454	4.9
105.07019	6.7
106.04158	1.5
107.04945	7.2
107.08561	0.9
108.23141	0.3
109.06493	1.0
109.10121	0.6
115.05433	1.9
117.06995	1.4
118.04169	0.4
119.04914	1.1
119.08540	0.6
121.06499	2.3
121.10116	1.1
122.03599	0.7
123.04418	6.5
123.08044	5.0
123.11702	0.6
124.05199	3.8
124.08382	3.5
125.05990	0.7
129.06969	0.5
131.04903	7.3
131.08591	0.6
132.05629	0.4
133.06487	6.3
133.10123	0.7
134.03604	0.6
135.08026	1.8
136.05139	0.3
137.05956	5.6
138.06374	0.3
139.07547	0.4
141.06995	0.8
143.04897	0.9
143.06024	0.4
144.05681	0.6
145.06473	2.4
145.10176	0.3
147.04376	2.0
147.08046	0.4
147.11655	0.5
149.05972	1.1
149.09596	0.3
151.03868	2.0
151.07530	3.1
151.11092	0.3
152.04684	2.3
152.11397	0.3
153.05411	0.9
157.06511	0.6
158.07214	0.6
159.08041	0.7
160.05180	0.9
161.05962	7.0
161.07240	0.5
163.07527	14.8
165.05486	0.6
165.09082	0.4
166.06248	0.6
167.07016	100.0
168.07353	2.0
171.04352	0.4
172.05353	0.4
173.05946	1.2
175.07483	2.3
177.05492	0.4
177.07680	0.3
177.09053	2.3
179.07011	3.3
181.04950	2.2
181.08556	4.2
181.12193	0.7
182.12556	0.4
187.07516	3.0
189.09003	0.5
191.06972	0.5
192.07826	0.4
193.08580	17.4
194.08893	0.6
195.10147	0.5
201.09084	0.8
203.06992	1.2
203.08623	0.5
205.08563	1.8
207.10138	0.6
207.13724	0.5
209.15337	1.0
217.08569	0.7
219.10185	2.0
225.06543	0.3
225.10219	0.3
225.14891	0.6
226.15102	1.5
231.08066	0.6
233.08063	0.7
233.11687	1.6
237.11137	1.3
239.08096	0.5
245.12842	0.5
248.08281	0.6
251.12811	0.4
253.09721	0.5
263.10596	1.0
281.09116	0.5
291.10117	0.9
295.13266	0.7
299.10281	0.8
309.08597	0.7
323.12717	2.6
327.09808	1.1
329.11084	0.3
333.24210	0.3
341.13770	0.3
345.10638	2.4
355.08804	0.4
355.15356	5.0
356.15390	0.3
373.10287	2.4
387.14249	0.9
387.18182	1.1
405.12753	0.6
405.19019	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
53.27790	0.8
55.01861	1.5
55.05511	1.2
57.03437	1.7
59.04987	2.1
60.83635	0.7
65.03944	1.1
67.05497	2.2
69.03065	1.4
69.03416	17.5
69.03760	1.4
69.07062	0.8
69.30073	8.9
71.04983	100.0
72.05328	0.8
78.04711	2.1
79.05474	4.1
81.03400	15.1
81.03841	1.0
81.07031	1.1
83.04970	1.6
85.02886	6.5
85.06527	2.7
88.26485	0.9
89.06016	9.1
91.05475	3.8
93.07065	1.5
95.04957	6.3
95.08633	1.2
97.02890	3.7
99.04446	4.0
103.05475	4.4
105.03372	2.0
105.07016	7.4
106.04226	1.3
107.04928	9.0
107.08582	1.6
109.02872	5.6
113.06015	3.2
115.05452	2.4
115.07567	1.0
117.05476	77.8
119.04945	1.2
119.08579	2.1
120.08915	1.1
121.06474	2.4
121.10144	1.9
123.04408	4.9
123.08053	0.8
124.05223	2.2
125.05965	1.6
127.03901	4.9
127.07532	3.7
128.06190	0.7
129.05435	6.1
129.07018	1.3
131.04901	6.3
131.07086	1.5
131.08603	0.9
132.05707	0.9
133.06462	4.8
133.10210	1.8
134.06862	0.9
135.08003	1.5
137.05974	7.4
139.11214	1.7
141.05490	2.0
141.09145	1.0
143.03397	2.1
143.04909	0.8
145.04941	1.9
145.06508	1.5
145.08592	8.8
145.09889	1.1
147.04359	1.8
147.08037	1.0
147.11641	1.3
148.12044	1.0
149.05968	2.3
151.03908	5.4
151.07544	4.9
152.04692	1.6
153.05449	1.0
155.07018	3.0
157.06485	1.1
159.06560	0.7
159.08069	0.9
161.05978	8.4
163.07529	13.0
165.09145	1.2
167.07016	74.3
168.07458	1.3
172.05241	0.8
173.05994	0.9
175.07594	1.7
177.05472	1.0
177.09157	1.9
179.07043	3.3
181.04977	4.4
181.08578	3.5
184.01268	0.8
185.08099	1.4
187.06032	1.4
187.07582	2.8
189.05318	0.8
189.09186	2.3
190.13197	0.8
193.08562	14.7
197.08072	3.9
203.07050	1.4
205.08629	2.4
207.10143	1.5
207.13744	1.4
207.99214	0.8
208.14192	1.5
209.15269	1.2
215.09099	1.7
217.08749	1.2
219.10149	1.8
221.06056	1.0
221.08101	1.4
232.78133	0.7
233.08191	0.8
259.11252	1.0
267.08673	0.7
272.24774	0.8
275.08203	1.7
275.11218	31.8
287.12872	1.1
295.13345	0.8
306.32376	0.9
313.14542	1.0
323.12939	1.5
345.15497	3.1
355.15555	3.8
387.16486	7.6
405.17667	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	404.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
68.78230	1.6
69.03414	3.2
69.28368	19.0
71.04971	4.0
78.04664	1.9
79.05491	4.8
80.70282	1.9
81.07036	3.3
85.02885	8.2
90.17729	1.8
91.05470	10.2
93.07046	3.2
95.04946	2.6
95.08586	3.4
103.05438	4.2
105.07008	17.5
107.04937	6.0
107.08596	3.4
109.06482	1.9
117.07038	4.3
119.08570	12.0
123.04382	8.1
124.05196	2.9
130.07715	4.1
131.04915	7.1
131.08553	2.9
133.06465	13.1
133.10062	1.6
135.08153	1.8
137.05969	6.9
145.06450	2.0
145.10117	17.3
147.04369	2.4
147.08023	3.2
147.11665	25.6
149.09727	1.7
149.61104	1.6
151.03899	2.7
151.07526	5.0
156.09325	5.0
159.08064	1.9
161.05956	6.2
161.09592	2.2
162.97404	1.8
163.07533	9.0
167.07018	78.6
168.07370	1.6
171.11620	4.4
177.09047	2.2
179.07008	4.4
181.08580	3.7
187.07475	2.1
189.12721	100.0
190.13080	3.3
191.29932	1.7
193.08577	19.8
194.90549	1.9
207.10149	2.5
207.13853	13.7
242.13690	1.8
355.15186	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	404.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52458	0.9
57.07058	3.0
60.00275	0.9
64.63553	1.0
67.05475	4.1
69.03413	2.5
69.52705	8.1
71.04968	1.0
74.79775	1.1
74.89143	1.1
79.05493	1.5
81.07049	16.4
83.04933	1.2
85.02888	79.8
91.05455	4.3
93.06986	2.8
95.04930	1.9
95.08604	5.2
97.02833	1.4
105.07014	7.6
107.08589	5.7
109.06492	2.5
109.10129	10.0
111.04400	1.3
119.08555	8.8
119.10500	1.0
121.06518	1.3
121.10125	9.7
123.04539	1.0
123.08004	2.3
123.11682	100.0
124.12006	2.3
125.05973	5.5
130.07780	1.1
131.08510	1.3
133.06436	1.1
145.10059	4.0
147.08003	2.9
147.11653	14.2
149.09581	7.0
151.07503	2.8
156.09296	1.9
161.13211	1.9
163.11188	1.7
165.12714	2.8
167.06953	1.2
171.11629	1.5
189.12686	20.9
207.13766	68.3
208.14049	3.3
225.14810	21.2
226.15190	1.3
402.07745	1.2
405.17010	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64809	0.6
53.91739	0.6
60.04514	2.0
60.05637	0.9
62.06079	100.0
68.28411	0.6
69.03451	0.7
69.51791	1.3
69.52198	3.9
74.13178	0.6
83.04947	0.6
85.02890	1.3
87.60079	0.6
97.02897	1.0
101.06019	0.8
103.76163	0.6
104.07082	0.7
106.05026	3.1
116.07105	0.7
127.03896	1.1
135.95055	0.5
145.04948	1.1
184.11661	0.6
196.09767	2.2
233.07706	0.6
233.57368	0.8
242.10266	3.9
260.05835	0.7
404.09637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.6
55.05494	0.7
60.94811	0.4
67.05465	1.3
69.03400	1.6
69.74213	2.1
69.74631	1.5
78.04691	0.8
79.05480	2.5
81.03410	1.0
81.07053	1.6
83.04961	2.0
85.02895	3.8
91.05447	1.6
93.07038	1.7
95.04959	2.0
95.08588	3.6
97.02853	1.1
97.06503	1.9
97.50482	0.5
103.05450	1.4
105.06984	2.9
106.04132	0.9
107.04940	3.6
107.08603	1.4
109.02824	0.7
109.06488	1.9
109.10125	0.7
111.04404	0.8
115.05479	0.5
119.08585	2.5
121.06476	1.5
121.10122	5.7
122.03590	0.5
123.04395	2.1
123.08046	100.0
124.05132	0.8
124.08389	2.5
125.05959	0.7
127.03944	0.7
131.04913	2.1
133.06476	2.2
133.10112	1.0
135.04318	0.6
135.07964	0.5
135.11653	1.4
136.00497	0.6
137.05956	4.4
137.09590	1.1
145.06485	1.0
145.10094	1.4
147.04375	0.9
147.11635	1.1
149.09589	2.0
151.03848	1.4
151.07550	1.1
151.11127	3.9
152.04652	0.9
161.05974	2.5
163.07515	4.2
163.11212	1.4
167.07019	27.4
167.10712	1.4
172.05219	0.8
175.07538	1.3
177.05586	0.5
179.07004	1.8
181.04971	2.7
181.08588	1.1
181.12193	11.0
187.07483	0.7
189.12729	1.2
193.08580	5.8
197.06998	0.6
205.08507	0.7
207.13770	4.0
219.10103	0.7
225.14819	19.0
226.15149	1.2
239.08138	0.9
245.12775	0.9
253.09775	0.6
267.07797	1.1
291.10364	0.7
299.10303	1.6
309.08472	0.7
323.12830	0.9
327.09686	2.1
345.10785	2.9
355.15298	1.7
373.10107	3.9
374.13300	0.6
404.13721	0.6
405.12317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	0.5
51.81853	0.3
53.03936	2.9
55.01850	0.8
55.05505	0.9
55.45920	0.4
57.03422	1.0
63.40329	0.4
67.05510	0.4
69.03422	8.4
70.15302	2.0
71.04989	1.9
73.02915	0.4
77.77258	0.4
78.03010	0.7
78.03444	9.5
79.04238	0.4
80.04997	2.4
81.03408	16.2
83.01307	0.5
83.04968	2.4
85.02895	7.7
96.04480	3.1
97.02885	4.5
99.04443	2.9
101.06000	4.8
106.02900	51.5
106.27393	0.4
107.03235	1.1
109.02860	10.3
109.03577	0.7
121.02834	1.3
124.03934	100.0
125.03489	0.5
125.04299	1.8
127.03899	7.0
145.04912	0.8
153.01822	1.4
153.24939	0.3
154.04942	0.8
166.04985	1.5
167.07031	1.9
175.07523	0.4
196.05965	0.8
221.07980	0.4
232.06018	4.1
233.06085	0.4
242.10246	1.0
250.07068	18.3
251.07452	1.0
268.08124	72.4
269.08417	3.0
274.79065	0.4
286.09158	3.5
331.85776	0.4
386.14474	0.7
404.15472	13.6
405.16226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03945	2.5
55.01857	0.5
55.05497	1.2
57.03428	1.0
61.02934	0.6
69.03419	8.6
69.90017	1.6
71.01346	0.3
71.04983	2.5
73.02906	0.7
73.16045	0.3
78.03445	6.6
79.04225	0.4
80.05006	1.2
81.03409	14.7
83.04980	2.1
85.02894	8.0
93.31153	0.3
96.04492	3.7
97.02885	4.0
99.04450	2.0
101.06010	5.3
106.02904	46.4
107.03217	0.8
109.02865	8.9
119.07012	1.5
123.04424	0.5
124.03938	100.0
125.02363	0.4
125.04293	2.2
127.03896	5.7
137.08083	2.4
143.03430	0.3
145.04900	0.6
153.01828	2.5
154.02127	0.6
166.04967	1.5
167.07025	2.2
183.02875	0.6
193.08559	0.3
196.05994	0.7
226.07036	0.4
232.06021	3.1
242.10397	0.3
250.07092	14.5
251.07455	0.6
268.08130	72.1
269.08472	2.8
285.11517	0.3
391.68051	0.3
404.15448	14.7
405.15781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
53.03935	1.6
55.05483	0.8
56.46695	0.7
57.03423	4.1
58.37765	0.7
65.03918	1.0
67.05508	1.0
69.03419	2.1
69.81679	3.2
69.82095	1.6
71.01357	0.8
71.04970	3.9
75.04465	2.7
79.05477	2.3
81.03406	1.3
85.02892	9.6
87.04461	1.6
91.05465	100.0
92.05805	2.4
93.07047	0.7
94.07634	0.7
95.01307	4.1
95.04955	3.8
95.08590	1.8
97.02874	3.4
97.06528	0.7
97.47250	0.9
98.21455	1.0
99.00787	1.8
99.04410	1.4
105.03374	74.2
105.07004	2.9
106.03706	2.8
107.08584	1.9
108.99265	0.8
113.02356	1.8
117.05452	1.9
119.08537	3.6
121.10155	1.3
123.04453	4.2
123.08079	1.0
127.69147	0.7
131.03381	1.3
133.06462	1.1
133.10115	0.8
137.05942	8.2
137.09557	1.3
141.01793	5.8
147.11676	3.5
149.09613	1.1
151.07518	1.0
159.02802	1.2
161.13220	1.5
161.20866	0.8
163.11163	1.0
171.11720	1.0
177.12695	0.7
179.07002	23.6
180.10121	1.1
189.12740	8.0
193.08575	49.6
194.08929	2.2
195.13893	1.3
197.08060	20.8
207.06458	1.4
207.13731	7.1
207.82983	0.9
211.09628	24.3
212.09937	1.0
213.14822	0.9
215.05281	0.8
215.41815	0.8
243.16092	0.9
275.11197	1.1
351.10760	1.2
369.11679	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	403.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44024	1.6
53.03944	2.2
55.01855	3.6
55.05501	17.1
57.07052	6.4
67.05492	27.7
69.03400	2.2
69.07060	34.2
71.04977	15.9
71.08610	1.9
71.62586	4.1
79.05474	19.2
81.07047	49.1
82.60828	2.3
83.04964	3.5
83.08607	14.7
85.06537	100.0
86.06909	1.6
91.05472	16.0
93.07039	38.7
94.07336	2.3
95.04969	3.8
95.08595	83.5
97.06511	15.2
97.10150	6.5
99.08069	5.6
100.08197	1.7
102.06390	1.7
105.07008	29.6
107.08585	57.0
109.06493	4.2
109.10139	55.0
111.08093	11.6
111.11687	4.0
113.09624	2.9
117.06998	4.0
119.08569	32.8
121.06531	2.2
121.10124	51.7
123.08077	4.3
123.11694	19.8
125.09589	5.4
126.50268	2.0
129.01807	5.2
131.08553	7.5
133.10123	22.8
134.10480	2.3
135.08018	2.0
135.11687	31.8
135.37509	1.8
137.09636	4.6
137.13231	10.9
139.11168	2.9
143.08521	2.6
145.10117	16.2
147.11665	24.4
149.13254	31.0
151.07539	3.0
151.11157	4.5
151.14873	2.0
157.01274	3.2
157.10091	3.0
159.11708	15.5
161.13254	22.5
163.11182	9.7
163.14793	21.7
165.12819	2.6
165.16455	2.6
167.14337	4.6
169.10091	2.2
171.11667	3.8
173.13235	9.3
175.14809	12.8
177.12773	2.6
177.16362	6.8
179.14250	5.2
181.15855	7.4
185.13261	4.5
187.14806	5.6
189.16389	14.1
191.17873	7.1
193.15884	7.0
197.13257	2.9
201.12352	1.8
201.16370	4.5
203.17909	8.9
205.15878	4.1
205.19475	3.2
207.17410	3.6
209.19037	3.9
213.16130	2.5
217.19490	10.2
221.18939	4.2
231.17500	2.1
235.20511	7.0
247.20491	2.3
289.25537	2.6
309.76196	1.8
315.26575	2.9
315.39609	1.9
329.28149	2.1
337.16650	2.3
342.76471	2.0
367.29849	5.2
385.30661	6.5
385.34879	19.2
389.89502	2.2
403.31161	14.3
403.35608	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	403.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75388	1.2
55.01868	2.3
55.05499	8.1
57.03424	1.7
57.07074	5.3
65.03941	1.5
66.50506	0.9
67.05497	14.9
69.03416	1.2
69.07056	22.9
69.73080	1.4
69.73484	6.3
70.07677	1.0
71.04984	17.2
71.08628	1.3
79.05473	10.4
81.07044	32.7
81.56055	1.0
83.08600	7.8
85.06532	100.0
91.05457	7.0
92.67892	1.0
93.07034	29.6
95.04964	1.1
95.08595	64.1
97.06507	9.7
97.10181	4.9
99.08060	1.4
105.07014	14.0
107.08576	54.9
109.06522	1.5
109.10139	30.2
111.08061	3.8
111.11667	1.5
117.07019	1.0
119.08569	19.6
121.10126	38.3
123.11693	13.1
125.09622	1.4
129.01843	3.1
131.08537	1.7
133.10094	10.6
135.11678	22.9
137.13211	9.4
139.07480	1.5
145.10056	2.1
147.11682	13.6
149.13226	21.1
151.14789	2.1
153.12740	1.1
159.11670	4.3
161.13223	14.3
163.13396	1.8
163.14787	30.0
163.16075	2.1
165.16440	1.4
171.11839	1.2
171.13818	1.2
173.13167	1.7
173.15823	1.1
175.14799	7.7
177.16373	5.5
179.14227	2.1
181.15852	10.8
187.14780	1.6
189.16350	11.8
191.17928	31.4
193.15855	3.1
193.17778	1.0
193.19429	5.2
195.17450	2.6
201.16386	2.5
203.17923	21.3
205.19514	4.2
207.17360	1.5
217.19470	7.7
219.21117	1.5
221.18988	1.8
237.19658	1.0
237.21912	5.8
257.22546	1.5
305.60144	1.1
367.33704	2.6
373.08875	1.2
385.30249	1.7
385.34650	22.7
403.35968	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	403.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.9
55.05500	20.5
57.07057	7.0
67.05497	30.2
69.03407	7.5
69.07057	26.6
69.33658	40.9
71.04980	7.8
78.43275	3.5
79.05462	22.9
81.07048	67.5
83.04966	8.1
83.08604	10.3
84.89495	3.4
85.02905	4.1
85.06525	20.5
91.05452	23.5
93.07029	58.6
95.04942	10.5
95.08592	65.8
95.75702	3.5
97.06503	8.4
97.10128	6.0
98.21519	7.9
105.07019	72.1
107.08572	85.5
108.08874	5.8
109.06469	7.3
109.10141	44.4
111.08063	9.9
117.07005	10.4
119.08570	100.0
121.06498	4.9
121.10120	87.7
122.10484	4.1
123.08052	10.5
123.11679	26.5
125.05981	4.5
125.09602	5.9
129.01816	9.8
131.08530	15.4
133.10110	49.4
135.08049	8.2
135.11656	35.5
137.09581	4.9
137.13234	11.2
143.08536	6.3
143.15735	3.4
145.10094	30.1
147.11662	60.7
148.12071	3.9
149.09607	9.4
149.13263	28.6
151.11182	5.0
153.12753	4.9
157.10054	11.4
159.11662	35.2
161.11943	7.1
161.13225	80.7
162.13628	4.9
163.11116	8.8
163.14816	19.8
165.09135	3.7
165.12755	8.9
167.06927	4.5
169.10138	4.2
171.11612	4.1
173.13269	20.7
175.11134	5.9
175.14798	18.0
177.12743	7.2
177.16333	11.9
179.14288	13.4
181.12389	5.6
183.11674	4.5
185.08037	4.5
185.13242	6.8
187.14795	34.9
189.16359	76.1
191.14320	9.7
193.15842	8.4
197.13217	3.6
199.14792	10.7
201.16339	31.9
203.17886	14.3
205.15808	28.4
207.17395	7.6
213.16376	7.8
215.17943	9.2
217.15825	4.0
217.19572	4.1
219.17337	10.0
227.17810	6.8
231.17432	5.9
239.17960	4.3
239.84253	3.9
249.60796	4.0
297.79541	3.2
349.28741	11.5
367.29898	54.7
385.23331	5.7
385.31079	40.3
403.13712	5.4
403.24158	8.1
403.32751	27.9
427.56558	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	403.32
Annotation	CHEBI:68040
Peak:m/z	Relative Intensity
53.03918	1.2
55.05485	4.9
57.07059	2.5
67.05488	7.5
69.03412	2.8
69.07053	10.1
70.06576	1.1
70.15644	2.9
70.16038	2.7
71.04961	4.1
71.08603	1.8
79.05486	9.6
81.07038	19.1
83.08598	4.0
84.84063	1.1
84.94226	1.0
85.06527	14.7
87.67483	1.2
91.05457	7.4
93.07031	27.1
95.04959	2.0
95.08593	27.0
97.06522	2.9
97.10149	2.7
98.21396	1.2
105.07024	11.7
107.08578	40.6
109.06465	3.4
109.10138	15.6
111.04459	1.3
111.08052	3.0
117.06989	4.0
119.08566	25.4
121.06477	2.7
121.10130	23.7
122.10461	1.2
123.08045	3.0
123.11665	9.3
125.09615	1.7
127.11218	1.3
129.01797	2.9
130.07674	1.3
131.08517	4.3
133.10123	15.8
135.08038	2.5
135.10667	2.2
135.11674	42.5
136.11995	1.2
137.09579	1.9
137.13191	2.9
143.08485	2.0
145.10110	32.5
147.11678	11.4
149.09566	2.5
149.13254	9.8
151.11176	12.5
153.58592	1.3
157.10127	1.5
159.11674	12.7
161.13226	9.1
163.11162	65.0
163.14796	12.9
165.12724	3.9
173.13219	4.6
175.14786	6.1
177.12717	5.2
177.16327	1.7
181.12172	4.8
185.13272	1.8
187.14816	5.6
189.16362	36.5
191.14409	1.6
191.17921	5.9
193.15822	1.5
197.13271	1.8
199.14789	1.6
201.16376	3.4
203.17941	6.0
205.19467	1.8
207.17403	7.3
213.16373	4.2
215.17937	2.0
231.17433	3.1
300.74585	1.1
349.29034	2.2
352.97452	1.4
367.29825	4.7
373.31030	8.0
385.30933	32.8
385.34958	1.9
386.31207	2.4
388.11707	1.4
403.32013	100.0
404.32401	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	403.1959
Annotation	Spionoside B
Peak:m/z	Relative Intensity
50.98991	2.5
53.03931	4.3
55.01874	5.2
55.05497	10.3
57.03423	9.7
58.99566	2.4
59.04979	6.0
62.14170	2.9
65.03943	3.1
67.05482	10.1
69.03428	23.0
69.07051	9.4
71.04981	8.6
71.61449	3.0
71.61828	3.5
79.05491	12.9
80.34705	2.6
81.03396	12.9
81.07052	16.0
83.04956	9.8
84.04511	2.9
85.02889	28.2
85.06539	6.4
86.09698	7.9
87.04438	3.1
91.05459	18.4
93.07036	26.4
95.01340	2.6
95.04948	11.3
95.08575	17.7
97.02869	12.2
97.06525	3.6
99.04400	4.7
100.07596	3.1
105.07031	16.8
106.79821	2.6
107.04951	6.3
107.08570	21.7
109.02853	5.4
109.06519	25.9
109.10139	7.6
111.08056	13.9
113.05988	3.8
116.01592	3.1
117.07025	9.2
119.08566	17.6
119.32728	2.8
121.02857	11.8
121.06493	31.8
121.10130	6.7
123.04423	4.4
123.08075	18.8
123.11641	4.4
125.09624	7.9
126.81380	3.0
127.03938	4.7
129.01810	2.7
129.05458	3.5
131.08498	6.0
132.07434	2.7
133.06476	3.8
133.10126	10.3
135.04414	5.4
135.08040	22.5
135.11720	7.7
137.05948	11.6
137.09592	47.4
139.03854	3.4
139.07536	3.9
145.04886	3.1
145.06422	2.8
145.10123	10.6
147.08057	3.5
147.11620	5.2
149.05972	34.9
149.09583	7.9
149.13319	3.9
151.07535	10.4
151.11172	8.6
153.01813	9.5
153.09106	33.0
159.11676	12.0
161.05959	5.6
161.09665	5.5
161.13191	4.5
163.07545	5.8
163.11205	7.7
165.09109	3.2
167.07040	11.4
175.11174	35.1
175.14737	2.8
177.05540	2.7
177.12779	17.1
179.10643	9.0
181.04950	2.8
181.08572	8.9
187.11122	4.3
189.05708	3.8
191.06975	3.3
193.12231	100.0
205.12233	44.1
213.11212	4.6
223.06013	2.8
223.13283	69.9
224.13571	5.2
234.50485	2.7
239.05597	8.1
240.05869	5.3
241.05885	4.7
241.10675	5.2
241.14270	26.8
242.14125	5.2
257.09570	8.1
262.10663	5.2
403.15277	15.5
403.20099	5.3
404.15457	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	403.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.8
55.01868	2.7
55.05504	3.4
59.04974	1.5
67.05483	5.3
69.03402	6.2
70.03910	3.4
70.04324	5.1
71.04971	1.6
79.05486	3.5
81.03392	1.5
81.07030	2.6
83.04981	9.0
85.02894	4.9
85.06535	3.2
91.05460	14.2
93.07030	60.6
95.04945	10.8
95.08578	4.2
97.02876	3.4
97.06494	3.0
98.21343	1.9
103.05449	2.6
104.89437	1.6
105.07015	5.5
107.04942	2.5
107.08562	2.5
109.06506	3.8
111.04461	1.6
111.08052	2.7
117.07013	2.8
119.08571	3.8
121.06492	100.0
121.10116	3.4
122.06819	1.7
123.08045	1.3
127.07556	9.3
131.08574	2.4
132.34785	1.9
133.06458	1.4
135.08086	3.4
135.11652	2.9
137.09583	1.9
139.07507	3.7
145.10170	4.1
147.08003	2.2
149.06001	1.5
149.09602	7.7
153.01773	3.0
153.09056	3.0
155.10637	2.0
159.11682	9.9
162.34625	1.8
163.11136	2.5
165.08987	1.6
167.07024	3.9
173.95010	1.6
175.11160	3.9
177.12793	3.0
179.10773	1.5
187.11180	5.0
205.12198	65.7
223.13257	28.4
241.14330	2.3
367.59604	1.5
390.71069	1.6
403.15237	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11781	3.7
53.03923	9.5
55.01852	5.0
55.05490	10.3
57.03415	11.2
58.19131	4.1
59.04988	5.1
67.05492	11.3
69.03426	30.5
69.07052	5.5
69.14071	3.4
70.06607	8.0
71.04985	9.2
71.62070	4.9
79.05482	10.4
81.03402	21.0
81.07035	16.1
83.04968	27.3
85.02901	54.4
85.06525	8.5
85.57512	4.6
86.09669	10.4
89.21498	3.4
91.05465	19.3
93.07024	33.6
95.04955	18.6
95.08591	20.0
97.02879	15.3
97.06500	8.9
99.04443	8.0
103.05423	4.5
105.07026	21.9
106.02878	4.0
107.04900	8.1
107.08582	21.5
109.02818	13.4
109.06501	48.5
109.10092	7.1
111.04398	5.2
111.08064	16.1
113.05986	13.8
115.05456	3.4
117.06966	6.9
119.08568	33.0
121.02837	4.1
121.06499	43.0
121.10120	18.3
123.04403	6.5
123.08048	17.1
124.03913	8.0
125.09617	5.9
127.03873	16.9
129.05466	5.9
131.08571	9.1
133.06470	7.0
133.10106	16.0
135.04405	10.7
135.08069	26.3
135.11613	7.0
137.05952	12.2
137.09586	31.1
138.05505	8.7
138.41069	3.7
139.07512	12.2
145.10075	9.0
146.07153	4.7
147.08028	10.6
147.11659	6.6
149.05959	22.1
149.09605	43.7
151.03888	4.2
151.07532	5.7
151.11128	10.8
153.05507	6.3
153.09062	21.0
159.11710	11.7
160.08849	4.5
161.05908	11.3
161.09642	18.1
163.07545	5.8
163.11159	9.3
165.05573	4.3
165.09131	10.2
167.06978	42.7
175.11172	44.1
177.12744	16.4
179.10634	30.9
181.08708	6.0
181.47902	4.1
183.06490	4.7
184.06050	11.2
187.11012	6.4
191.07004	4.6
193.08549	10.1
193.12215	97.8
205.12169	50.0
206.02133	8.4
207.06400	6.5
211.09627	7.5
223.13275	100.0
224.13457	4.7
228.94258	4.6
239.05463	17.2
240.05803	13.5
241.06003	26.5
241.08171	4.9
241.14268	20.2
252.10130	6.0
268.08170	5.2
403.15390	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	403.1592
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
53.03929	3.9
55.01851	1.4
55.05495	2.5
57.03421	2.4
67.05513	1.0
69.03414	9.2
69.07056	1.1
70.06577	1.2
71.01929	1.1
71.02256	1.0
71.04984	6.0
72.08130	0.7
73.02904	0.8
77.03931	0.9
79.05489	7.7
79.57676	0.6
81.03410	7.8
81.07016	1.0
81.86391	0.6
82.85048	0.6
83.04970	4.3
85.02892	19.4
85.06553	0.7
90.61669	0.6
90.72416	0.6
91.05472	1.2
93.07004	1.1
95.04951	5.2
95.08578	0.8
97.02877	4.7
97.06502	0.8
99.04453	1.5
101.06002	10.3
105.03374	100.0
105.06997	4.0
106.03703	1.5
107.04937	1.3
107.08562	1.6
109.02867	6.3
109.06522	0.8
110.06703	0.7
111.04408	0.8
117.06953	0.7
119.07025	2.7
119.08530	0.9
121.06502	1.6
121.10117	1.1
123.04408	22.0
123.08062	1.5
127.03907	7.2
131.08473	0.7
133.06480	7.2
137.05957	12.9
137.08086	8.5
139.03894	1.2
140.06992	0.8
141.05377	0.8
145.04947	2.0
147.11659	1.2
149.05898	0.8
149.09604	1.0
153.05446	0.8
161.05980	0.8
163.11206	1.0
165.09090	3.7
166.08606	2.7
167.06984	2.8
167.08286	0.7
177.14880	0.7
181.08592	1.0
183.10167	4.5
183.11580	0.6
189.12820	0.9
192.07777	0.9
205.12221	0.8
207.06516	1.7
207.13702	0.8
223.13261	1.9
231.06476	2.4
241.14290	1.1
247.84245	0.7
249.05229	1.1
249.07591	8.7
257.13821	4.9
267.08603	30.3
267.11465	1.5
344.54266	0.7
403.14319	1.0
403.19437	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61380	0.5
55.05491	1.5
56.05040	0.5
57.07067	7.4
58.06585	1.5
67.05480	1.5
68.05000	0.5
69.07037	1.2
69.42609	4.7
70.06586	13.6
71.08617	3.3
72.08134	0.7
73.32264	0.5
79.05491	1.0
81.07026	2.8
83.08603	0.9
84.24815	0.4
88.07078	0.9
88.07626	19.4
91.05467	1.2
93.07030	2.1
94.07385	0.4
95.08580	3.0
96.08925	0.7
97.10145	0.6
102.08548	0.9
102.09173	11.6
105.07004	1.5
107.08570	2.9
108.08912	0.6
109.02871	0.5
109.10147	1.3
117.06979	0.6
119.08572	2.7
121.10118	1.4
123.11635	0.8
132.10181	1.2
133.10123	2.1
135.11656	1.6
139.89557	0.5
141.30363	0.5
145.10078	1.3
146.08078	0.6
147.11662	1.1
149.13263	1.3
150.11185	0.7
159.11742	0.7
161.13222	0.9
175.14816	0.8
187.14716	0.5
187.48122	0.5
189.16359	1.4
296.32965	1.0
340.35712	37.8
341.36026	2.3
343.70432	0.5
360.67593	0.7
384.34106	0.6
384.38000	2.3
385.30933	1.0
402.39374	100.0
403.32202	1.3
403.39749	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	402.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.3
69.03406	2.1
70.06576	1.8
71.20424	1.3
71.72119	0.9
79.05478	1.7
81.03401	2.7
81.07027	1.4
83.04971	1.1
83.08598	6.9
85.02901	5.4
90.20934	0.9
91.05476	1.6
93.07027	1.1
95.08573	1.5
97.02882	2.5
97.06595	1.1
99.04451	0.9
105.07010	2.2
107.04931	2.7
109.10139	1.4
111.04420	1.3
121.02852	3.2
121.06488	0.9
123.04409	1.2
123.08036	1.3
124.03899	1.8
124.07558	1.8
126.05441	1.2
127.03896	2.1
131.04929	1.1
133.06490	1.0
135.04387	2.5
137.05933	1.4
147.04399	1.1
151.03893	1.1
153.05461	1.4
159.08189	1.2
162.03120	4.4
163.03889	4.1
167.07088	4.3
168.07463	1.2
169.76433	0.9
173.06085	1.3
177.05573	1.0
177.09100	1.1
179.03358	2.0
179.07091	1.2
190.02562	10.0
191.07076	1.3
195.06508	1.2
205.08786	3.6
205.12149	1.2
207.02878	3.8
207.06491	1.6
208.03625	11.4
217.08418	1.3
222.11272	3.7
223.05981	100.0
223.09789	4.3
224.06313	3.0
240.12381	2.2
240.15959	2.3
242.42775	1.0
316.08908	2.5
331.11212	2.1
377.69589	1.0
384.15164	3.1
402.16699	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	402.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31717	0.7
55.05494	2.5
57.07056	2.4
65.18272	0.9
67.05483	1.2
69.07069	5.6
69.93036	5.0
71.08613	1.3
72.48933	1.0
79.05471	3.4
80.06263	0.9
81.07043	4.6
83.08612	2.7
88.29243	1.0
90.27845	0.7
95.04932	1.3
95.05979	0.7
97.10168	1.7
107.04968	3.7
108.05703	5.3
109.06508	6.1
110.70700	0.8
111.11708	1.4
115.28461	0.8
115.95467	0.9
117.06995	0.8
121.06471	9.3
123.04402	3.9
124.05170	1.2
131.08519	1.0
131.32167	0.7
135.08011	1.6
136.05183	17.7
137.05957	62.4
138.06757	21.0
149.06007	2.2
149.09584	2.9
150.06741	8.7
151.07524	1.2
159.08067	1.2
163.07466	3.7
177.09088	38.3
178.09477	1.5
179.62309	0.7
191.10648	3.2
192.11440	1.4
206.13025	0.8
219.35733	0.8
264.08640	0.7
297.21613	0.8
402.34882	100.0
403.35226	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	401.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74726	1.8
55.01870	12.7
55.05502	32.2
57.07073	11.4
59.04982	2.5
65.03934	2.8
67.05160	3.4
67.05495	42.1
69.07059	42.6
69.76119	3.1
69.76525	10.1
70.06579	4.3
70.91232	2.0
71.04984	14.2
71.08618	2.6
79.05475	23.1
81.06570	3.5
81.07045	61.8
83.04969	5.5
83.08614	18.4
85.06535	17.6
88.07619	8.7
89.07949	3.6
91.05462	18.8
93.06470	2.7
93.07030	46.6
95.04935	2.9
95.08593	77.3
97.06519	6.5
97.10148	8.7
98.20789	3.0
101.05999	4.9
105.07019	42.7
107.04893	3.0
107.07850	4.0
107.08578	60.3
109.06469	3.2
109.10140	100.0
111.04431	2.3
111.08064	62.8
117.06991	5.6
119.08562	48.1
121.09308	3.0
121.10132	43.6
123.08041	7.4
123.11689	23.6
129.06895	2.6
129.09097	4.4
131.08565	10.1
133.10104	48.0
135.08009	5.0
135.11679	26.2
137.08652	2.5
137.09608	26.6
137.13260	13.7
139.11191	3.6
143.08505	7.5
145.10097	18.8
147.11658	34.4
149.09595	18.2
149.13214	15.5
151.11212	3.5
151.14815	2.5
153.12732	2.3
155.10670	5.0
157.10088	13.8
158.11037	2.8
159.11668	27.1
161.09579	8.0
161.13246	31.2
163.11148	9.3
163.14804	11.6
165.12724	8.7
167.07060	2.9
167.10556	2.9
171.11697	9.6
173.13252	16.0
175.14824	15.0
177.12695	4.1
177.16318	6.0
179.14267	4.7
181.15732	2.3
183.11671	3.4
185.13229	7.6
187.14830	9.8
189.16277	10.8
191.14268	5.8
191.17970	5.2
193.15897	4.8
197.13316	3.7
199.14827	8.0
201.16312	10.1
203.14328	3.2
203.17918	20.7
205.15878	10.8
205.50700	2.0
207.17473	3.0
213.16319	8.0
215.17873	4.1
217.15927	4.6
217.19472	19.0
226.26918	1.9
227.17915	5.9
229.19437	3.9
231.17412	12.5
233.18829	2.5
241.19371	4.1
245.19003	4.1
249.18355	2.5
257.18945	4.5
259.20511	6.0
271.20602	6.4
273.21808	4.3
277.21582	3.7
283.24234	4.4
285.25693	11.6
301.25150	7.8
319.26352	4.0
327.26630	3.6
330.11044	5.0
339.34436	11.7
383.14835	5.6
383.33163	49.0
384.33423	2.4
391.17627	2.3
401.29962	11.0
401.34012	55.8
401.38345	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	401.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15785	1.8
55.05495	11.3
57.03407	2.3
57.07056	3.3
59.04999	3.3
67.05482	11.1
69.07056	11.8
69.59151	13.7
71.04969	2.1
79.05479	7.4
81.07041	16.4
83.04972	3.1
83.08600	5.2
85.02862	2.1
85.06530	3.4
91.05474	8.6
93.07036	18.1
95.08591	32.3
97.06512	2.8
99.04382	3.8
101.05984	4.6
105.07013	18.3
107.04917	2.3
107.08575	33.1
109.06483	2.8
109.10143	12.0
117.06958	4.0
117.97192	1.8
119.08550	37.8
121.06458	2.5
121.10122	35.6
123.08013	2.7
123.11683	6.3
131.08563	9.3
133.09091	3.0
133.10103	53.3
135.08023	4.7
135.11671	45.2
137.06021	1.5
137.09589	5.0
137.13216	2.1
139.07568	1.6
143.08553	3.4
144.09302	1.8
145.10094	19.6
146.07220	2.7
147.11664	26.3
149.09608	3.2
149.13249	12.1
149.70480	1.6
151.03885	54.8
151.05009	4.8
151.07497	5.0
153.09042	2.5
157.10124	7.4
158.10844	2.4
159.11670	17.0
161.13208	9.3
163.11139	2.7
163.14680	1.9
167.06998	2.0
171.11671	5.4
172.12421	3.9
173.13228	21.7
175.14793	100.0
176.15125	2.0
177.09119	4.2
177.12718	11.4
177.16360	2.7
179.14229	2.1
181.12144	3.1
185.13225	6.8
187.14790	36.4
189.09099	2.2
189.12697	2.1
189.16371	15.2
191.14313	7.6
193.12167	3.0
193.15848	63.6
195.13785	17.5
199.14870	3.6
201.16347	10.1
203.17838	1.7
205.15860	14.8
207.13770	17.9
207.17389	3.1
209.15352	5.3
213.16383	4.7
217.08603	6.6
219.22832	2.0
227.17937	3.1
229.19420	2.9
233.75993	1.6
236.35565	1.8
239.17792	1.7
241.19469	4.7
282.23401	2.5
309.10739	2.0
313.21356	3.0
315.08417	2.2
315.23126	2.1
330.10641	3.1
365.28430	3.7
369.13254	13.6
370.13672	1.9
383.14972	1.7
383.29367	62.6
384.29614	2.5
401.15863	9.4
401.30603	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	401.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99383	3.6
53.03931	6.2
55.05499	16.8
57.07066	8.3
67.05485	23.8
69.03421	6.2
69.07053	19.5
70.80702	7.1
70.81038	6.2
71.04987	10.8
71.08600	3.1
79.05477	25.8
80.47889	3.1
81.07053	40.5
83.04971	4.1
84.83110	3.0
85.02895	4.5
85.06524	5.5
91.05474	46.7
93.07032	55.3
95.04975	12.2
95.08580	42.7
95.91293	3.3
97.06513	4.7
101.64908	3.6
103.05422	4.8
105.07017	88.4
107.04921	4.1
107.08585	48.5
109.06504	63.9
109.10130	25.8
110.07036	3.5
111.08049	12.8
115.05430	4.1
117.07000	20.3
119.08558	100.0
121.10114	35.7
123.08038	6.0
123.11679	6.1
128.06204	11.9
129.07014	18.1
130.07851	5.5
131.08553	60.1
133.10110	91.3
133.11073	6.0
135.08044	15.7
135.11676	29.3
137.09596	5.9
141.06978	7.5
142.07748	19.0
143.08546	43.2
144.09291	4.6
145.10103	93.1
147.08017	9.5
147.11661	23.9
149.09628	7.2
149.13278	7.5
153.06926	3.7
155.08516	18.2
155.78581	3.6
156.09378	16.7
157.10115	62.8
158.10892	12.4
159.11687	37.2
161.09663	7.7
161.13283	6.1
163.14854	5.0
165.06956	5.9
167.07050	7.8
167.08569	8.8
168.09334	6.7
169.10143	20.1
170.10851	11.2
171.11676	27.2
172.12448	6.6
173.09526	3.5
173.13249	49.2
175.14807	14.6
177.12859	4.5
179.08492	6.9
179.10645	3.9
180.09363	8.7
181.10159	16.7
181.96426	3.7
182.10898	4.1
183.11673	18.8
185.13216	23.8
187.14787	44.8
189.12776	6.2
189.16382	5.8
193.10124	11.6
194.10922	6.5
195.11647	22.1
196.12386	6.4
197.13219	17.6
199.14754	23.8
201.12685	7.6
201.16409	5.0
206.10818	5.6
207.11641	9.7
208.12471	6.0
209.13248	27.0
211.14833	8.5
220.12337	4.4
221.13217	14.5
221.15247	4.0
223.14772	5.6
235.14816	8.1
237.16304	8.3
239.05597	4.2
247.14929	5.5
249.16397	3.6
251.18060	4.9
252.18544	4.4
253.19466	4.7
257.80356	4.2
263.17966	6.6
265.19440	8.5
275.17752	4.8
299.09680	3.2
303.21005	3.5
315.08588	6.9
321.07254	4.4
330.10956	4.1
345.22342	4.5
383.15054	6.4
383.29065	11.0
401.13467	6.4
401.18103	6.3
401.27927	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.7
53.55408	0.9
55.01855	2.2
55.05500	6.2
57.03424	2.2
57.07063	2.1
59.91282	0.8
61.02911	1.4
65.03915	2.0
67.05169	0.9
67.05497	14.3
69.03427	5.2
69.07063	9.9
71.04965	3.3
71.29009	1.7
71.29333	0.8
73.02901	1.8
79.05480	15.7
81.03413	4.8
81.07049	32.1
82.07372	1.2
83.04958	3.2
83.08586	5.1
83.26216	0.8
85.02890	19.6
85.06541	2.5
91.04956	1.2
91.05468	12.8
93.07035	18.4
95.04961	6.7
95.08594	46.2
96.08938	1.3
97.02871	6.1
97.06509	3.2
97.10144	2.9
99.04433	1.5
102.32563	0.8
103.05447	2.1
105.07021	24.2
107.04946	15.1
107.08585	33.2
108.08921	1.3
109.02868	3.7
109.06495	4.0
109.10139	30.8
111.04433	1.1
111.08067	3.7
111.11705	1.8
113.09631	0.8
115.05435	2.4
117.06987	3.4
118.04135	1.2
119.08565	19.0
121.06476	3.6
121.10126	18.4
123.04416	3.3
123.08057	2.5
123.11694	8.7
124.05180	3.6
125.05970	3.1
125.09613	2.5
127.03913	5.5
127.11143	1.2
128.06151	1.9
129.06979	3.2
131.04898	2.5
131.08545	6.5
132.05698	0.8
133.06447	2.7
133.10115	16.7
135.04401	1.5
135.08032	2.5
135.11679	7.8
137.05965	3.5
137.09575	2.4
137.13229	1.8
139.07523	1.3
139.11163	2.0
141.06989	2.2
143.04942	1.5
143.08531	2.0
144.05655	4.0
145.04935	3.8
145.06454	3.0
145.10072	4.1
147.08040	1.7
147.11662	27.4
148.05151	1.2
148.12091	1.4
149.06027	1.5
149.09612	1.8
149.13229	6.9
151.03900	2.0
151.07520	2.2
152.04671	1.5
153.05453	1.6
153.06853	1.2
156.05611	5.0
157.06494	1.8
157.10129	1.5
159.08015	6.5
159.11658	2.4
161.05960	2.3
161.09608	1.4
161.13248	12.1
163.03871	3.6
163.07480	1.5
163.11140	1.1
163.14796	7.7
164.04457	0.9
165.05531	0.8
165.06964	1.0
165.09065	2.7
165.12718	1.4
165.16324	1.0
167.07022	55.8
168.07292	1.3
169.06429	2.1
170.07207	1.1
171.11642	1.2
172.05098	1.1
173.05972	2.8
173.09607	1.5
173.13263	2.2
174.06679	0.8
175.07501	2.1
175.14784	6.2
177.05482	2.3
177.09148	1.5
177.12753	0.9
179.07013	1.7
181.04990	6.7
181.06364	1.5
181.08585	4.0
183.06415	1.1
183.11624	1.1
184.05225	0.9
185.13225	1.9
186.06749	2.6
187.07491	5.6
187.11153	1.0
189.12656	1.1
189.16383	1.0
190.06204	1.7
191.03378	1.5
191.07019	3.7
191.10703	1.0
193.04927	1.5
193.08600	1.8
194.07057	0.8
195.06506	2.6
198.06660	0.9
201.09100	1.9
201.16357	2.0
202.06145	2.3
202.07773	1.3
203.17928	100.0
204.18291	4.1
205.06627	1.5
205.08600	7.9
205.09988	0.8
206.08942	1.0
207.06479	3.4
207.09958	1.2
208.05205	8.3
209.07932	1.3
209.09717	1.0
211.07481	1.0
213.16449	1.1
215.06839	1.0
215.17834	1.2
217.06508	1.6
217.08545	18.6
218.07239	1.8
218.09085	1.0
219.08038	5.8
219.10141	5.0
220.08786	2.7
221.05923	2.8
221.08064	2.9
221.09863	1.0
221.15384	1.8
221.18958	12.1
225.05264	1.2
226.06172	0.9
229.08601	3.3
230.07198	1.5
231.07957	2.7
231.10065	1.7
232.08891	1.7
233.05983	1.0
233.09624	1.2
234.06659	1.2
234.10223	0.9
235.07504	2.5
236.04614	2.7
236.08315	2.6
239.07042	1.5
239.16411	1.2
239.20007	18.2
240.03987	1.3
241.04823	0.9
241.08714	1.2
245.09589	2.3
246.06810	1.1
247.07448	5.3
247.09660	11.1
248.08304	5.6
249.05258	1.3
249.09143	1.6
250.06084	1.2
251.10513	1.3
254.05765	5.4
255.06508	1.1
259.07477	1.3
260.08267	1.3
261.09082	3.0
262.09772	2.2
263.07040	2.2
263.10620	7.0
264.07782	3.5
265.08499	3.4
266.05627	1.1
267.06268	1.9
268.03644	2.3
269.08005	14.1
271.06015	1.4
271.09708	3.9
272.06885	1.8
275.07028	3.1
276.07712	4.1
277.08533	3.6
278.09192	2.0
279.10181	4.1
280.10526	1.3
281.08023	1.9
281.11218	0.9
282.05457	1.8
282.08817	6.2
283.09271	1.5
284.06741	1.1
285.07440	1.0
287.09204	2.2
289.08466	1.2
290.09369	3.2
291.10034	7.5
292.07169	2.2
292.10605	1.7
293.08151	4.5
294.08511	1.6
295.09619	1.1
297.07370	1.2
299.09119	3.1
300.09698	1.1
301.07013	1.6
304.07227	1.6
305.08105	1.5
307.09622	4.0
308.10275	4.2
309.07529	1.2
309.11105	1.4
310.08295	2.8
311.12766	2.0
315.08585	37.3
316.09073	4.4
318.08438	0.8
319.09555	4.2
320.10300	1.3
321.07397	2.2
321.11099	1.2
322.11963	1.6
323.09259	1.8
323.12711	8.6
324.09714	2.3
325.10864	1.1
328.09348	2.9
329.21036	1.0
330.10922	51.0
331.11536	10.4
335.09070	1.4
336.09683	2.6
337.10663	4.6
339.12152	6.7
341.10138	1.3
341.13745	1.4
343.11667	8.4
344.12009	1.1
351.12210	15.2
352.12817	4.0
353.10062	3.4
355.11673	1.2
355.22446	0.9
356.12500	2.2
358.14001	1.1
365.23593	1.1
368.12531	4.9
369.13013	2.7
371.14969	3.9
383.14856	43.6
383.21991	1.8
384.15128	4.2
401.16168	26.0
401.26508	1.5
401.30408	3.2
402.16284	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	401.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21696	2.4
53.03926	7.1
55.01850	8.3
55.05507	20.0
57.03410	6.7
57.07061	5.1
59.04973	4.1
61.02899	2.1
65.03921	6.7
67.05492	17.8
69.03424	13.0
69.07060	15.2
69.33955	24.8
71.04968	17.2
73.02905	3.7
79.05473	31.2
81.03403	14.3
81.06573	3.4
81.07041	55.5
83.04946	6.8
83.08609	15.8
85.02494	2.1
85.02895	26.2
85.06522	8.3
91.05447	20.4
93.07023	33.9
95.04956	12.7
95.08589	37.8
97.02840	6.6
97.06506	5.7
97.10150	6.1
99.04414	2.9
99.08085	7.0
103.05444	10.4
105.04514	2.5
105.06380	3.0
105.07019	35.4
107.04935	30.3
107.08575	42.0
109.02852	9.7
109.06483	10.1
109.10136	33.1
111.04407	3.6
111.08060	4.7
113.09588	3.3
115.05444	12.0
117.07003	7.1
119.04919	8.3
119.08559	32.3
121.06472	9.7
121.10114	27.6
122.03636	3.4
123.04373	9.0
123.08073	13.0
123.11713	25.3
124.05190	5.5
125.05957	5.8
125.09622	13.3
127.03899	5.1
127.11150	7.5
128.06203	4.4
129.06975	10.4
131.04907	18.1
131.08560	17.6
133.04935	2.8
133.06459	11.5
133.10100	26.2
133.45207	2.7
135.04420	2.9
135.08026	2.9
135.11671	47.0
137.05940	22.7
137.09573	6.3
137.13231	10.5
139.11121	3.2
141.07027	5.8
141.12758	2.4
143.04877	9.3
143.08504	4.4
143.10667	16.2
144.05649	9.6
145.04924	3.0
145.06444	10.9
145.10094	8.7
147.04388	12.5
147.07976	4.7
147.11646	16.5
149.05960	6.2
149.09602	3.5
149.13229	16.6
151.03839	4.1
151.07492	6.5
151.11159	3.2
152.04730	4.4
153.05423	5.8
153.12727	5.0
156.05641	8.4
157.06407	6.7
157.10110	5.8
158.07303	3.8
159.08032	23.2
159.11641	10.4
161.05946	31.6
161.13216	10.0
162.06758	5.8
163.03917	3.5
163.07494	14.0
163.11148	4.6
163.14771	8.0
165.09103	5.3
165.12688	3.0
167.03369	4.8
167.07010	100.0
168.07344	6.9
168.36250	2.6
169.06436	2.8
169.10051	2.8
171.06613	3.6
171.07994	4.4
171.11653	4.4
172.08847	5.3
173.05963	8.8
173.09488	3.1
173.13306	3.9
175.07524	10.0
175.11220	6.1
175.14748	5.6
177.05452	7.2
177.09160	2.6
177.12811	4.0
179.07018	6.1
181.04944	55.0
181.06483	5.3
181.08498	5.3
182.07185	3.6
183.06505	3.5
183.08005	3.2
185.06075	3.9
185.13298	4.5
186.06642	3.4
187.07584	14.2
188.08127	3.4
189.05392	7.4
189.16324	3.7
191.03256	3.3
191.06953	9.6
191.08521	2.9
193.08589	10.3
193.15776	4.0
195.06487	11.0
201.08981	5.4
201.16301	3.6
202.06192	3.3
203.06902	5.0
203.14233	5.3
203.17909	20.6
205.08521	14.7
205.19478	11.2
207.06429	7.9
208.05061	13.0
208.08795	3.0
211.07518	3.3
217.08525	27.6
218.07173	5.5
219.07996	9.9
219.10100	10.4
220.08728	7.7
221.05940	6.3
221.07991	50.4
221.10045	3.6
221.15410	5.2
221.18983	17.1
223.20525	3.1
229.08524	5.7
231.08008	7.8
231.17354	2.7
232.08691	3.4
233.05940	4.6
233.09694	3.2
234.06575	4.0
235.07545	4.2
236.04671	3.6
236.08188	2.8
237.08926	3.5
238.06146	3.8
239.06918	4.6
239.20035	3.2
240.04449	2.7
241.08382	3.1
245.09581	3.4
245.18837	3.9
246.06674	3.3
247.07414	12.0
247.09654	17.5
248.08289	13.3
249.05360	3.3
249.08839	5.9
250.06235	2.8
254.05743	7.6
257.04367	2.6
259.07437	4.7
261.09039	8.5
262.09930	5.2
263.06772	4.9
263.10559	9.9
264.07727	8.4
265.08530	6.7
267.06503	4.4
269.08051	23.2
270.08484	3.6
271.09625	8.3
275.06970	7.0
276.07724	9.5
277.08444	6.9
279.07214	2.8
279.10129	9.9
281.08075	3.5
282.05316	2.6
282.08649	11.9
283.06104	3.2
287.08749	2.9
290.09396	4.2
291.09982	15.2
293.08029	6.4
294.08899	5.9
295.09622	4.3
297.07797	3.1
297.10974	2.7
299.09085	5.2
301.06894	5.5
305.11539	3.0
307.09567	10.7
308.10410	7.0
309.10770	2.8
310.08109	5.3
311.19699	3.6
313.07120	2.6
315.08539	65.1
316.08771	5.7
319.09528	9.1
321.07468	7.3
321.11093	5.0
322.08240	3.8
323.09161	4.5
323.12717	13.0
328.09238	4.7
329.20883	3.5
330.10931	75.9
331.11649	13.3
336.09790	5.7
337.10666	7.5
339.12045	12.6
341.09906	4.3
343.11801	15.8
344.11816	3.4
351.12231	30.1
352.12906	6.4
353.10147	8.1
355.11536	5.1
365.23117	6.7
368.12347	9.0
369.13190	10.7
371.14642	6.7
373.12253	4.0
373.16702	3.3
383.14859	90.6
383.24457	5.1
384.15204	8.6
401.12140	7.0
401.16196	46.5
402.16431	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	401.1589
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03932	4.5
67.43263	2.0
68.26362	2.1
69.03422	4.6
69.07053	2.7
69.65701	14.4
71.04971	4.6
79.05469	12.6
81.03381	2.7
81.07042	7.3
81.07486	2.1
85.06502	2.0
91.05486	9.1
93.07027	5.1
95.04977	5.9
95.08615	2.3
97.02900	2.6
97.06532	2.4
103.05437	4.0
105.07022	5.8
107.04942	30.1
107.08556	2.5
109.06503	4.0
109.10171	2.8
111.08049	2.7
115.05441	5.2
117.06998	4.6
119.08543	2.7
121.06488	4.2
123.04429	5.6
123.08049	4.9
124.05199	6.9
125.05964	2.4
128.06248	2.8
129.07033	3.8
131.04935	4.6
131.07010	2.1
131.08514	10.9
132.05733	2.6
133.06459	3.5
135.04443	2.3
137.05960	4.3
141.06946	4.3
144.05707	5.4
145.06490	7.4
147.04413	2.3
149.05994	3.2
151.03879	2.6
151.07535	4.1
152.04626	2.6
153.05501	4.5
153.06847	2.7
156.05678	12.1
157.06503	2.8
159.08066	13.4
161.05984	6.6
163.03847	3.1
163.07512	3.1
165.06929	4.3
167.07024	94.8
168.07375	2.3
169.06400	3.1
169.07632	2.2
170.07271	4.4
173.06017	4.2
174.06842	2.6
175.07536	3.4
175.14775	2.2
177.05429	3.8
179.07079	3.8
179.08498	2.8
181.04935	6.6
181.06464	2.7
181.08580	5.3
186.06793	3.8
187.07536	7.6
189.05450	2.9
190.07777	2.4
191.07027	4.4
191.08559	4.3
193.08620	4.1
195.06525	3.4
197.07947	1.9
202.07870	4.8
203.08647	4.0
205.06654	3.1
205.08591	12.4
205.10243	2.8
206.07187	3.1
207.06488	4.4
207.08221	2.9
207.10036	2.4
208.05136	17.8
208.08849	4.1
209.05960	2.3
209.09648	2.1
210.06786	4.2
211.07545	3.9
215.08655	2.6
217.08505	22.7
218.07274	7.3
218.09236	3.1
219.08058	16.0
219.10181	9.8
220.08807	6.6
221.05966	5.2
221.07901	3.7
221.09770	3.7
221.15366	3.5
222.06697	5.2
223.07512	4.8
225.05585	2.6
225.09122	2.2
229.08588	5.5
231.08080	9.9
231.10062	3.6
232.08910	4.3
233.06039	4.8
233.09564	5.2
234.06758	4.1
235.07564	6.8
236.04697	8.3
236.08325	7.8
237.05560	2.4
237.09119	7.3
238.06113	5.3
239.07040	6.8
240.04056	2.9
241.08562	3.4
245.09631	3.6
246.06819	3.0
247.07530	20.0
247.09743	12.2
248.08279	16.5
249.05475	5.6
249.09077	7.4
250.06293	5.6
251.07129	3.0
251.10674	5.5
252.07838	6.8
253.08527	3.4
254.05688	10.3
254.09415	5.7
256.07318	4.6
259.07471	5.2
260.08261	4.2
261.09137	9.1
262.06271	2.8
262.09866	7.1
263.07101	6.7
263.10568	9.6
264.07837	16.4
265.08600	11.1
266.05804	3.0
266.09387	2.5
267.06555	8.8
267.10001	2.0
268.07352	2.3
269.08044	26.9
270.08484	2.7
271.09637	6.8
272.06604	2.7
275.07034	7.5
276.07809	8.2
277.04803	2.8
277.08551	9.3
278.05722	5.4
278.09256	4.0
279.07339	2.1
279.10059	12.1
280.07260	9.0
280.10452	3.5
281.08264	5.3
281.11664	3.8
282.05624	4.2
282.08908	17.3
283.06281	2.7
283.09402	4.8
284.06760	3.7
287.09399	2.0
289.08618	3.8
290.09390	6.1
291.10059	16.3
292.07281	7.5
293.08035	14.7
294.08887	3.4
295.06317	3.8
295.09744	6.6
296.10284	2.6
297.07730	4.9
297.11270	8.7
298.08490	3.7
299.09076	35.9
300.06540	2.0
301.07007	2.8
305.08060	7.1
305.11713	5.1
306.08936	2.9
307.09622	23.4
308.10260	10.7
309.07690	3.5
309.11301	6.4
310.08383	10.0
311.09073	10.7
311.12692	4.0
313.10675	28.5
314.11111	2.8
315.08575	65.7
316.09253	2.4
319.09595	7.2
320.10501	3.5
321.07581	5.2
321.11273	6.2
322.08429	2.9
322.11768	3.3
323.09241	4.6
323.12607	17.9
324.09833	4.3
325.10709	19.8
326.11548	5.3
327.12219	2.3
328.09308	5.4
330.10913	87.8
331.11618	10.2
333.11716	2.5
336.10010	5.6
337.10574	12.3
338.11465	2.9
339.12250	21.5
340.13080	2.8
341.13782	6.1
343.11670	46.5
350.11581	2.9
351.12216	35.5
352.12836	7.9
353.10159	5.8
353.13937	3.3
355.11743	5.9
356.12665	4.3
357.13257	6.4
358.14059	100.0
359.14761	5.8
365.13742	4.7
368.12396	11.5
369.13312	28.3
370.14285	3.0
371.14764	11.2
383.14841	87.9
384.15201	4.3
401.15994	70.9
402.15762	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	401.1588
Annotation	Gomisin R
Peak:m/z	Relative Intensity
52.73996	1.1
55.87464	1.1
57.03419	1.4
62.80135	1.3
67.05482	2.7
69.03416	2.1
69.07052	2.7
69.63831	9.2
71.04977	3.0
78.34731	1.4
79.05485	13.5
81.03407	2.6
81.07037	4.3
83.04982	2.1
83.05589	1.3
83.16525	1.0
85.02879	3.0
85.93253	1.3
87.04425	1.2
88.13240	1.2
91.05464	8.3
93.07029	2.6
95.04948	2.7
95.08582	2.4
97.02885	2.3
97.06531	1.2
98.21464	2.8
99.08071	1.4
103.05423	1.3
105.06995	3.0
106.04123	1.7
107.04931	28.1
107.08591	1.5
109.06493	2.5
115.05418	2.8
116.06177	1.6
117.06977	3.4
119.08634	1.6
121.02869	3.5
121.06422	1.7
123.04395	2.0
123.08086	1.5
124.05195	4.9
125.05981	2.1
128.06192	2.3
129.06987	6.4
129.51726	1.3
131.04910	1.7
131.08582	8.6
132.05666	1.5
133.06425	2.6
135.04417	1.6
137.05974	1.8
137.09607	1.4
139.03868	1.6
141.06947	4.3
144.05687	5.5
145.06465	6.4
147.04326	1.3
149.05972	1.7
151.03870	1.7
151.07565	2.3
152.04645	1.6
153.05417	2.8
156.05670	12.2
157.06487	3.7
158.07240	2.7
159.08026	14.2
161.05928	2.7
163.03923	3.0
163.07437	1.6
165.07010	1.6
167.07018	93.5
168.07442	1.5
169.06438	2.5
173.05907	4.7
175.07515	1.6
177.05470	2.1
177.12659	1.6
179.07033	3.4
179.08597	1.4
181.04924	3.6
181.06432	2.5
181.08554	3.2
184.05228	2.9
186.06708	3.2
187.07492	11.3
189.05345	1.6
191.06987	2.8
191.08551	4.1
193.06316	1.4
193.08611	1.7
194.07187	2.4
195.06502	2.8
197.05960	1.7
197.08170	1.9
202.06201	5.4
202.07840	1.7
203.08481	2.9
204.07700	1.4
205.06618	1.9
205.08524	14.8
207.06487	4.4
207.08205	2.6
207.09976	2.0
208.05154	19.1
208.08894	1.5
210.06757	2.1
211.07521	2.8
215.06879	1.9
215.08713	2.1
217.08578	32.6
218.07234	5.2
218.09145	1.9
219.08029	9.4
219.10124	5.1
220.08781	3.5
221.05927	5.6
227.08829	1.7
229.08588	6.4
230.07097	1.9
231.07968	6.7
231.10089	2.9
232.08842	3.5
233.09540	4.4
234.06972	2.1
234.09979	1.4
235.07449	4.1
235.11230	2.2
236.04645	6.4
236.08278	4.5
237.09015	2.2
239.07167	1.6
239.16446	1.6
240.04210	3.0
241.08525	1.4
244.08884	1.7
245.09618	3.2
246.06641	2.2
247.07448	13.9
247.09660	19.2
248.08287	11.1
249.09006	3.4
250.06316	1.7
251.10645	3.0
253.08601	1.7
253.60503	1.3
254.05685	10.5
256.07175	2.6
258.06726	1.3
259.07523	3.2
260.08301	2.5
261.09012	5.5
262.09808	5.5
263.07010	4.4
263.10620	10.3
264.07748	7.4
265.08484	6.1
267.06482	4.8
268.03629	2.4
269.05051	2.1
269.08026	24.6
270.08646	1.8
271.09616	8.5
272.06766	5.3
275.07062	6.2
276.07803	8.0
277.08508	6.2
278.05762	1.8
279.06155	1.7
279.10132	9.1
281.08005	3.7
282.05194	4.3
282.08798	16.0
285.07608	3.5
287.09171	2.5
290.09238	4.5
291.06848	2.0
291.10056	16.8
292.07260	3.7
292.10654	2.6
293.07996	8.0
293.11093	1.8
295.09610	2.3
296.10614	1.8
297.07422	2.6
299.09106	4.2
300.06317	4.4
300.09695	2.0
301.06985	4.4
304.07330	2.1
305.07956	3.3
305.11563	1.6
306.08844	1.5
307.06363	2.2
307.09634	9.9
308.10275	6.2
309.07516	2.5
309.10934	2.0
310.08377	8.5
311.09030	1.5
311.12717	3.9
315.08572	83.0
316.09058	5.5
318.08847	2.7
319.09595	9.5
320.10507	2.8
321.07523	5.2
321.11401	3.5
322.08340	1.8
322.11938	2.8
323.09146	2.5
323.12619	15.8
324.09845	1.8
325.10626	3.0
328.09354	5.7
330.10931	100.0
331.11584	16.3
332.12244	1.8
336.09827	3.4
337.10507	8.5
339.12192	11.6
341.10040	2.4
341.13907	1.6
343.11710	20.9
350.11447	1.9
351.12195	29.5
352.12894	4.4
353.10175	6.2
356.12360	2.9
368.12439	7.9
369.13269	7.0
371.15140	5.9
373.16599	1.7
383.14828	76.3
384.15118	4.7
401.16068	28.0
401.76056	1.5
402.16190	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1587
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.81907	1.2
55.05480	1.5
57.03392	1.6
61.33483	1.1
64.11997	1.2
65.95255	1.4
68.92628	1.1
69.03432	1.3
71.06800	2.0
71.07150	2.7
73.74835	1.3
79.05471	11.0
81.07021	3.7
85.02887	2.2
91.05460	4.8
93.07031	2.6
95.04935	5.3
95.08578	2.8
95.37662	1.2
97.06571	1.8
105.07024	3.9
106.04134	2.9
107.04933	26.3
107.08530	2.5
109.06520	1.9
111.04453	1.4
113.28347	1.3
115.05419	2.4
117.06995	3.9
119.08529	2.8
121.06452	1.6
123.04426	2.8
123.08031	3.6
123.11691	2.1
124.05188	5.1
125.05948	3.0
128.06224	3.4
129.06967	5.8
131.08557	7.3
133.10089	2.2
135.11603	1.7
137.05949	3.0
141.06956	4.0
144.05707	6.4
145.06462	5.8
147.04388	1.7
151.03807	1.9
152.04619	3.8
153.05396	3.2
153.33504	1.5
156.05652	10.7
157.06451	3.8
158.07245	2.0
159.08038	15.1
161.05957	3.5
161.09457	1.4
163.03822	2.5
165.05533	1.4
165.06969	2.3
167.07014	83.9
168.07327	2.3
169.06380	2.0
173.05963	5.1
174.06766	2.1
175.07516	2.1
177.05582	2.5
179.06972	2.0
181.04956	4.3
181.08607	3.2
183.06566	3.3
184.05186	1.9
186.06711	3.1
187.07509	8.6
189.05501	1.8
190.06158	3.3
190.07727	2.8
191.06985	2.5
191.08513	2.3
193.08588	3.7
195.06490	2.5
197.08009	1.5
202.06178	4.4
202.07854	2.2
203.06798	2.1
203.08531	2.3
203.14336	2.0
205.06630	2.0
205.08549	12.6
207.06445	5.0
208.05151	19.8
210.06796	2.0
211.07515	2.6
217.08530	25.3
218.07237	3.7
219.08018	10.1
219.10135	6.9
220.08820	4.3
221.05983	6.4
221.15405	1.9
225.20154	1.3
229.08585	3.4
230.07236	1.6
231.08009	7.1
231.10158	4.1
232.08777	2.7
233.05940	2.1
233.09532	4.8
234.06717	1.9
234.10362	1.8
235.07405	3.3
236.04649	8.8
236.08315	3.6
237.09073	2.6
237.77196	1.7
240.04037	2.4
241.08667	2.8
245.09584	3.8
246.06801	2.2
247.07454	11.4
247.09650	18.3
248.08302	11.7
249.05336	2.4
249.09099	3.0
251.10750	2.8
254.05756	8.6
255.06291	2.1
256.07034	1.8
257.04318	2.3
259.07501	4.4
260.08273	2.2
261.05438	1.9
261.09003	4.6
262.06250	2.7
262.09857	4.1
263.06927	3.9
263.10736	7.9
264.07672	8.1
265.08539	5.0
266.05801	2.8
267.06412	5.9
268.03473	1.8
269.08041	27.6
270.08401	1.8
271.06030	2.3
271.09598	8.9
272.06641	3.3
275.06924	5.7
276.07758	6.7
277.08530	5.9
278.09311	2.2
279.07303	1.4
279.09961	7.5
280.11023	1.6
281.07953	1.8
281.11462	1.6
282.05515	2.4
282.08737	12.7
284.06903	1.4
285.07388	1.7
287.09250	3.1
289.08481	1.9
290.09311	5.2
291.10056	12.2
292.07257	3.3
292.10748	1.9
293.08109	9.2
294.08746	1.5
295.09781	3.1
299.09079	6.3
300.09943	1.8
301.07040	3.7
305.08157	3.2
307.06360	2.2
307.09570	11.7
308.10437	7.3
309.07581	2.3
309.10941	2.5
310.08258	6.1
311.09003	1.7
311.12637	3.7
315.08557	91.7
316.08936	3.4
319.09683	8.7
320.10104	2.8
321.07452	3.3
321.11020	3.1
322.11963	1.9
323.12683	13.7
324.09863	1.9
325.10736	3.1
328.09335	5.6
330.10919	100.0
331.11536	14.1
336.09760	4.2
337.10651	8.5
339.12323	7.7
341.13916	1.5
343.11597	24.0
350.11441	1.6
351.12256	28.6
352.12839	4.6
353.10071	6.9
355.11575	1.8
356.12457	4.2
368.12372	7.6
369.13239	5.6
371.14932	7.0
372.15506	1.5
373.16364	2.3
373.73328	1.4
383.14838	68.4
384.15121	3.6
401.15848	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1588
Annotation	CHEMBL1821994
Peak:m/z	Relative Intensity
53.03934	0.7
55.01847	0.9
55.05488	1.0
57.03415	0.4
57.07058	0.5
58.32267	0.3
65.03917	1.6
67.05213	0.3
67.05499	3.4
69.03423	0.5
69.07048	1.1
69.33775	3.8
71.04959	0.4
79.05479	1.3
81.03420	0.5
81.07030	3.5
83.08600	0.8
85.02897	0.5
85.06516	0.6
91.05470	2.2
93.07037	2.4
95.04948	1.2
95.08592	3.7
96.46210	0.3
97.06496	0.6
97.10115	0.4
105.07008	2.5
107.04934	1.4
107.08568	4.2
108.02080	1.7
109.02851	0.8
109.06478	0.9
109.10135	2.9
109.15707	0.3
111.04429	0.4
111.08031	0.7
112.06884	0.3
115.05413	1.0
117.07008	0.8
119.08575	3.6
121.06493	1.3
121.10118	3.1
123.08015	0.7
123.11667	1.2
127.70615	0.4
128.06165	0.3
129.07016	0.6
131.04903	1.0
131.08551	1.5
133.10106	3.7
135.08060	0.8
135.11670	2.7
136.01468	0.5
137.05952	2.3
137.09573	0.4
137.13246	0.5
139.11087	0.4
141.05441	3.5
141.06470	0.5
143.04878	0.6
143.08568	0.8
145.06458	1.5
145.10071	1.8
146.07236	3.8
147.11653	2.0
149.09598	0.8
149.13242	1.2
151.03885	100.0
151.04971	7.2
151.07468	6.6
152.04207	1.7
152.58928	0.4
153.05460	0.7
157.10100	0.9
158.07251	2.0
159.08015	0.9
159.11687	1.4
161.05956	1.1
161.09566	0.7
161.13237	0.9
162.06738	0.5
163.11166	0.7
163.14796	0.9
165.05472	0.4
167.07030	2.1
169.10121	0.6
171.11670	0.8
173.05984	0.9
173.13249	1.6
174.06731	2.1
175.11168	0.5
175.14799	3.3
177.09093	7.9
177.12762	0.9
179.06940	0.4
179.10588	0.6
184.29689	0.4
185.13211	0.9
186.06793	1.0
187.14815	1.6
189.09061	4.8
189.16354	1.7
190.06267	0.5
191.07014	1.6
191.14395	0.5
193.12263	0.6
193.15829	1.8
195.13802	0.5
199.14743	0.4
201.12611	0.4
201.16479	0.6
202.06154	0.6
203.17892	0.5
205.08641	0.4
207.06554	0.4
207.13872	0.6
217.05061	1.0
217.08572	10.0
225.16377	0.4
239.05412	1.0
245.08134	0.8
248.08405	0.4
249.07538	1.4
255.12843	0.4
269.08215	0.4
275.06860	0.4
277.08276	0.5
277.10861	1.0
291.10175	0.9
292.10901	0.6
293.08002	0.5
308.10318	0.6
309.11224	0.4
315.08664	1.3
323.12833	1.0
330.10934	1.8
335.93600	0.3
351.12262	0.8
353.10300	0.4
365.28671	0.7
369.13284	25.7
370.13742	1.3
383.15024	2.2
383.25519	0.6
383.29453	3.7
401.15933	18.4
401.27390	0.9
401.30728	5.0
402.16260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01856	1.1
57.03413	0.7
59.68019	0.5
69.03436	2.5
70.06569	1.0
71.04974	0.9
71.61411	0.9
73.02888	0.8
78.03436	0.5
79.05471	1.2
81.03394	2.0
81.07055	0.6
83.04911	0.5
85.02903	3.4
87.04452	0.7
91.05461	1.3
93.07024	0.9
93.53630	0.5
95.04945	1.1
97.02883	1.9
99.04459	0.5
103.03865	0.6
105.06996	0.7
106.02877	2.5
107.03263	0.7
107.04942	18.5
109.02846	1.4
109.62342	0.5
112.07529	0.6
117.05438	1.6
119.04948	0.7
120.08112	1.1
121.02829	1.9
121.06458	1.0
122.03610	1.9
123.04427	0.6
124.03931	2.4
125.02385	0.5
125.04253	1.1
127.03896	1.8
130.06511	16.2
131.04927	1.5
131.08572	0.5
132.04428	2.3
133.04915	0.8
133.06517	0.8
135.04355	0.8
135.08015	0.6
137.05940	0.7
139.03868	0.6
139.11276	0.6
145.04933	0.8
147.08032	0.6
147.11642	0.5
148.07553	5.7
150.03099	1.5
153.01831	1.9
158.06010	5.7
161.05945	0.6
167.07042	2.3
175.11133	0.7
176.07051	28.4
177.09090	0.6
178.02553	4.5
179.03383	1.1
179.06924	0.7
181.01447	0.7
181.04962	3.9
187.07472	0.6
193.08543	1.0
203.06941	0.9
204.06532	0.5
206.02077	32.0
207.02402	0.8
208.05052	0.5
209.00771	7.9
213.18727	0.6
217.08473	0.6
221.11679	1.9
222.07579	29.3
223.07924	0.9
224.03122	17.9
231.06429	1.1
239.05464	100.0
239.12755	2.4
240.05849	4.0
250.07062	1.0
251.07556	0.7
268.08054	0.9
269.08331	1.1
276.07712	0.8
315.08575	1.8
330.10901	2.1
383.14786	3.3
401.12558	1.5
401.16763	2.1
422.45746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1589
Annotation	Gomisin R
Peak:m/z	Relative Intensity
50.42661	1.3
53.03926	2.8
55.01866	3.9
55.05487	1.4
56.82392	1.3
57.03411	3.0
61.02932	2.5
62.18767	1.5
69.03429	10.4
69.07044	3.1
70.06589	2.7
71.04993	2.5
71.62198	3.0
73.02918	2.1
79.05492	14.7
81.03417	6.9
81.07050	5.2
83.04973	2.6
85.02898	19.5
86.03231	5.6
87.04432	1.6
91.05470	5.8
93.07043	2.5
95.04975	7.8
97.02902	6.8
98.03193	2.2
99.04424	2.1
105.03380	26.8
105.07016	4.9
106.02919	1.4
107.04941	27.4
107.08582	1.8
109.02861	3.7
109.10122	2.2
115.05431	3.7
117.07012	2.7
119.04904	2.3
121.02880	1.9
121.06506	3.4
121.10120	2.9
123.04438	5.3
123.08029	3.6
124.03958	4.4
124.05193	4.6
125.05956	3.4
127.03873	7.6
128.04288	2.0
129.06976	5.1
131.04823	1.5
131.08542	6.5
132.05679	2.2
133.04970	2.5
134.05232	1.6
135.04398	5.8
135.07979	2.1
137.05969	3.3
141.07014	3.2
144.05670	5.5
145.04922	10.3
145.06451	2.3
146.05281	5.2
147.08090	1.7
149.05975	2.1
151.03908	2.5
151.07533	2.2
152.04675	2.5
153.01801	4.0
156.05687	6.7
157.06534	3.3
158.07304	1.7
159.08064	12.0
161.05988	3.6
163.03880	2.6
163.06032	7.0
163.07278	1.5
164.06322	1.9
165.05513	2.5
167.07016	77.7
169.06363	1.8
172.05219	2.3
173.05891	3.3
177.05362	2.0
177.09230	1.8
179.07047	2.5
179.08601	1.5
181.04939	6.9
181.06355	1.6
181.08568	2.0
183.06496	1.7
183.08081	1.9
184.05208	1.9
186.06813	2.3
187.07501	7.4
189.05345	2.9
189.08951	1.7
190.06233	3.2
190.07748	2.0
191.06992	3.6
191.08565	2.6
193.08583	3.2
195.06451	2.9
197.05962	1.6
201.09090	1.7
202.06189	3.7
202.07808	3.7
203.06976	2.8
203.08667	3.0
203.17886	1.9
204.05692	1.8
204.07840	3.0
205.06641	2.3
205.08607	11.9
205.10019	1.4
206.07257	1.9
207.06444	3.5
208.05116	16.2
208.08914	1.9
209.08011	2.1
210.06679	2.2
211.07588	2.5
217.08572	20.4
218.07216	5.1
219.08009	12.4
219.10176	5.6
220.08812	4.2
221.05988	6.6
221.11716	3.9
229.08516	7.2
230.07071	1.9
231.08028	8.1
232.08708	3.0
233.06097	2.1
233.09610	6.4
234.06688	2.4
235.07571	3.6
236.04755	4.9
236.08409	5.0
239.05063	2.1
239.07141	2.4
239.12817	2.7
240.04111	1.9
241.08600	1.6
245.09677	3.2
246.06761	2.6
247.07483	15.2
247.09680	13.3
248.08263	10.6
249.05276	3.0
249.09238	3.2
250.06227	2.3
251.10677	3.9
253.08644	3.1
254.05630	7.4
255.06374	2.9
259.07538	3.2
260.08594	2.4
261.09024	4.7
262.06302	1.5
262.09863	5.0
263.07129	3.0
263.10641	11.5
264.07806	8.9
265.08588	6.7
267.06445	5.1
268.03629	2.1
269.08060	18.0
271.06073	2.5
271.09668	6.4
275.07004	6.1
276.07822	8.8
277.04797	2.0
277.08533	8.1
279.06989	2.1
279.10193	8.5
280.10818	2.9
281.08005	2.9
282.05667	2.4
282.08780	14.5
285.07538	3.7
287.09229	4.0
289.08627	2.6
290.05847	1.6
290.09344	5.2
291.10110	18.6
292.07281	5.4
292.10596	2.2
293.07993	11.3
294.08667	2.1
295.09726	3.2
296.10367	2.5
299.05756	1.5
299.09167	4.4
300.06317	3.2
301.07068	2.0
303.06348	1.6
304.07327	2.4
305.08105	3.8
305.11652	1.5
307.09647	14.4
308.10358	6.1
309.07675	3.6
309.11096	2.8
310.08356	5.6
311.12674	4.1
313.10556	2.2
315.08591	66.9
316.09268	3.8
319.09705	10.5
320.10306	2.1
321.07745	4.5
322.08313	3.8
322.11807	2.2
323.09274	2.9
323.12735	15.9
324.10001	2.4
325.10684	3.2
328.09372	4.5
330.10931	91.5
331.11508	13.9
336.09918	5.9
337.10648	8.2
339.12247	12.6
343.11652	19.5
351.12271	31.6
352.12915	3.5
353.10165	7.3
356.12650	2.2
368.12457	13.5
369.13263	4.8
371.14853	7.0
383.14832	100.0
384.15164	4.8
401.16141	22.3
402.16663	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
57.03419	0.4
61.02911	0.3
65.03944	0.3
69.03382	0.2
69.48138	1.8
69.48563	0.8
81.03393	0.4
81.69136	0.2
85.02882	0.8
94.04155	0.5
98.21410	0.5
104.83990	0.3
115.05383	0.3
122.03623	2.6
131.06993	0.9
132.07378	0.4
133.02837	0.3
150.03110	1.4
153.01797	0.9
167.07031	0.7
177.05440	0.5
177.07472	0.3
178.02589	5.7
178.03932	0.2
179.03407	1.3
181.01344	0.6
181.04941	4.7
203.07092	0.3
206.02086	33.6
207.02457	0.7
209.00769	9.6
221.08089	0.3
223.02257	0.3
224.03128	20.1
225.03468	0.5
231.06517	1.3
239.05470	100.0
240.05835	2.3
277.07059	0.3
315.08649	0.6
330.10925	0.8
383.14819	0.4
401.17670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01862	7.1
55.05505	56.6
57.03411	2.3
61.02921	3.8
69.03418	5.7
69.30504	19.2
71.04981	3.0
73.02905	7.7
73.06551	6.7
74.09580	1.5
74.99053	5.7
81.03421	4.3
81.07056	3.7
83.08609	93.5
85.02892	14.4
89.06028	5.8
91.80112	1.5
93.00115	8.7
95.04951	2.8
97.02860	7.6
98.97598	2.2
99.04432	2.5
99.08096	2.5
101.09634	20.1
102.98514	6.4
107.04934	2.1
109.02859	4.1
110.06033	5.4
114.92338	1.8
116.98592	1.7
120.99555	50.6
127.03893	3.6
135.06570	1.7
136.06195	2.9
139.00592	3.5
143.03329	2.0
145.04922	4.7
153.01857	4.1
155.07045	2.2
167.06975	2.5
171.06575	2.4
177.00623	1.8
177.05365	1.6
181.04950	16.1
193.55702	1.6
194.04526	2.0
206.04382	2.5
207.06490	2.0
208.89648	1.7
209.08046	2.6
221.08604	3.0
231.06506	2.0
233.04659	1.8
239.09444	100.0
240.09720	2.2
248.96988	1.6
275.09280	2.3
279.04977	4.7
291.08679	1.9
315.08713	2.2
330.11276	1.5
353.08514	5.4
419.09949	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.0
55.01854	2.2
55.05489	1.2
56.96549	1.5
57.03409	2.7
61.02902	2.1
67.05511	0.9
69.03117	1.0
69.03419	10.9
70.06558	1.5
71.04980	1.4
71.55594	1.0
71.55917	1.0
72.08124	1.0
73.02887	3.2
76.89261	1.1
81.03366	2.9
83.04968	1.3
84.04468	1.2
85.02892	17.3
86.03221	1.1
86.28506	1.0
87.04441	1.2
95.01307	1.8
95.04955	1.5
97.02870	13.1
98.97561	4.2
99.04437	2.3
101.00845	1.9
107.04889	1.2
109.02849	4.0
109.10048	1.0
110.06010	3.6
116.98582	2.4
119.01900	6.3
119.04911	1.3
121.01566	1.4
121.02849	8.2
121.06431	1.1
122.03144	1.3
127.03914	10.1
128.98520	1.0
131.00179	1.0
131.01868	2.7
133.03439	1.4
136.06116	1.8
137.05943	2.2
140.07043	1.6
140.36357	1.0
143.01869	2.6
145.01707	1.1
145.03467	2.9
145.04919	4.3
147.04994	1.9
151.03882	2.0
153.01804	10.8
155.01875	2.3
157.03439	2.8
158.99617	1.4
161.02933	4.9
167.06995	4.1
169.03403	1.7
171.04973	1.7
173.02942	3.9
175.04478	1.7
177.00624	2.1
181.04941	4.5
185.02911	3.4
189.02548	1.3
189.05981	1.6
191.63631	1.0
197.02940	2.2
203.03954	2.1
205.05467	1.4
213.02484	1.1
221.04984	2.5
223.04761	1.2
229.06079	3.1
229.56247	3.9
229.57933	4.5
230.06126	3.9
230.55316	1.4
238.57166	1.1
243.07263	1.1
245.05037	4.0
250.57512	1.5
257.05154	1.4
263.06039	1.1
273.03226	1.3
305.06754	1.2
307.09167	1.0
311.06766	1.6
320.08023	1.2
330.10898	1.1
341.09033	1.4
401.08347	100.0
402.08417	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01856	0.6
57.03429	43.3
57.73119	0.4
60.15772	0.4
61.02932	0.4
63.13927	0.4
69.03424	3.0
70.66949	0.5
70.67295	1.3
71.04977	1.8
72.08143	0.6
73.02897	1.4
81.03406	2.5
85.02901	4.2
85.06506	0.6
89.06009	2.0
97.02876	3.8
99.04432	9.8
109.02856	2.0
113.06017	0.5
117.05485	13.2
124.03956	0.8
127.03901	4.7
129.05576	0.5
130.32726	0.4
131.07027	100.0
132.07350	0.9
141.05429	0.9
144.57132	0.5
145.04959	2.4
145.08575	0.6
153.01826	0.8
153.67673	0.4
159.06508	6.7
163.03795	0.5
171.06517	1.1
177.07568	20.6
181.04951	1.3
206.02116	1.0
207.06761	0.5
231.08629	0.8
238.10733	1.1
239.05443	3.9
243.08705	1.0
261.09723	0.5
285.09653	1.2
303.10718	3.8
311.11005	0.5
321.11719	6.4
322.11850	0.6
347.13333	1.5
365.14459	1.1
383.15018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.81660	0.4
57.03428	39.8
61.02926	0.6
67.05460	0.4
69.03415	3.1
71.04970	1.2
71.61904	0.7
71.62272	0.6
72.08164	0.6
73.02898	1.0
73.03715	0.4
73.06497	0.4
79.05463	0.5
81.03411	2.7
81.07055	0.5
83.04990	0.5
85.02897	4.2
87.04455	0.4
89.06004	1.7
97.02874	5.6
99.03816	0.8
99.04440	9.8
106.02913	0.6
109.02888	2.2
117.05472	14.8
120.08023	0.5
124.03920	0.5
124.07652	0.5
127.03914	3.9
128.37813	0.4
131.07024	100.0
132.07333	0.8
141.05443	1.2
145.04935	2.6
145.08621	0.6
153.01764	1.1
153.05316	0.4
159.06499	5.7
167.07030	1.3
171.06544	0.6
177.07561	21.5
181.04936	1.6
184.07388	0.9
206.02080	1.4
209.04512	0.5
224.03192	1.1
231.08665	0.8
238.10692	0.7
239.05528	4.7
243.08746	0.5
285.09607	1.4
303.10721	3.6
321.11728	7.9
330.10934	0.6
340.13538	0.5
347.13046	2.0
365.14520	1.0
383.15021	0.8
400.15891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00210	1.6
55.05491	13.5
56.30963	1.6
57.03413	1.7
57.07067	9.1
65.93231	1.4
67.05494	25.4
69.07056	21.3
70.88242	3.5
71.04961	1.6
71.08618	2.6
75.55806	1.5
77.76797	1.3
79.05481	11.1
81.07043	58.8
83.04980	2.8
83.08604	8.4
85.06523	6.6
91.05452	10.6
92.30220	1.4
93.07034	35.2
95.04971	2.1
95.08594	100.0
96.08935	1.9
97.06495	3.8
97.10159	5.1
99.04457	4.5
101.05975	7.5
105.07010	21.6
107.08577	49.1
109.06492	3.0
109.10139	57.8
110.10529	1.4
111.04404	1.8
111.11709	3.9
114.79790	1.5
117.07009	2.8
117.31779	1.4
119.00616	1.7
119.04983	1.9
119.08566	28.8
121.06520	3.6
121.10122	49.3
122.10502	2.1
123.08020	2.3
123.11697	23.7
131.08524	9.4
133.10109	32.9
133.11066	2.2
135.08046	3.9
135.11667	50.5
136.12039	2.1
137.09607	2.1
137.13225	28.7
137.14209	2.0
143.08478	2.4
145.10146	9.9
147.04379	6.8
147.11667	26.4
149.09586	2.5
149.13235	23.3
151.14746	3.1
153.09035	2.2
157.10123	2.1
159.11664	16.3
161.13243	16.8
163.11182	4.9
163.14792	11.3
165.12721	3.1
165.37543	1.7
171.11661	2.7
173.13234	14.9
175.14799	14.0
177.12698	11.1
177.16393	5.3
179.17979	3.0
181.12245	6.7
183.11653	2.2
185.13170	1.9
187.14807	6.8
189.12769	2.9
189.16351	16.2
191.14319	5.4
191.17921	44.7
193.12277	6.1
195.13763	21.2
196.14322	2.0
201.16400	7.2
203.16078	1.6
203.17903	22.9
205.19518	5.6
207.13805	10.2
209.15353	9.0
211.14784	2.1
215.17992	3.8
217.19508	13.2
219.13791	3.9
229.19508	4.1
231.20976	1.9
235.17026	3.1
243.21164	2.1
247.16818	2.9
249.18723	1.9
250.76376	1.7
251.20029	2.0
257.22592	2.6
259.99976	1.7
261.18518	3.6
263.87546	1.6
275.20020	2.5
278.01004	2.6
289.21542	3.1
303.23145	23.2
304.23532	2.5
315.23212	9.7
329.24945	2.1
343.26685	2.0
346.59448	1.7
353.32004	3.7
381.27258	2.1
381.31625	9.3
399.32596	75.6
400.32837	5.5
400.37659	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	399.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.3
55.05492	15.5
57.07060	7.1
67.05492	31.3
69.07053	23.8
70.75510	4.9
70.75884	3.8
71.08638	4.5
79.05482	15.2
81.07045	68.1
83.04963	6.5
83.08608	8.6
85.06524	5.8
91.05459	15.5
93.07027	43.8
95.04947	4.0
95.08595	100.0
97.06523	2.8
97.10146	4.4
99.04459	5.9
101.06007	6.6
105.07017	31.9
107.08578	63.9
109.10138	66.3
111.08065	2.6
111.11692	3.1
113.13494	2.1
117.06998	4.0
118.73911	2.2
119.04919	5.4
119.08557	43.6
121.06516	3.1
121.10121	60.2
123.08025	2.7
123.11684	25.3
131.08557	9.5
133.10110	35.2
135.08051	4.1
135.11682	57.4
136.11967	2.6
137.13231	25.2
143.08528	4.3
145.10039	13.2
147.04373	16.4
147.11664	36.2
149.09647	4.1
149.13228	24.6
151.14786	3.9
157.10091	4.3
157.57545	2.3
159.11681	19.3
161.09569	2.9
161.13228	19.5
163.11203	4.6
163.14827	12.4
171.11649	5.6
173.13242	15.9
175.11246	2.2
175.14803	15.7
177.12717	16.7
177.16389	8.7
179.10612	2.3
179.17975	4.2
181.12260	8.9
185.13246	4.3
185.50549	2.2
187.14821	6.3
189.16350	24.6
191.14326	7.5
191.17911	55.6
192.18239	2.1
193.12253	7.1
195.13770	27.9
199.14795	3.2
201.16412	9.2
203.17943	31.3
205.19524	8.7
207.13812	11.0
209.15402	7.5
215.17961	5.4
217.19519	14.4
227.17877	2.9
229.19489	3.7
235.16873	4.2
239.17857	2.7
243.21049	3.0
247.16835	3.2
249.18532	4.3
249.26035	2.5
251.20073	2.6
260.00027	2.8
261.18417	6.2
278.01151	6.7
289.21729	2.6
296.55273	2.1
301.02704	2.6
303.23157	32.4
315.23105	14.2
321.25385	2.3
353.31976	4.7
381.31534	9.7
399.32584	98.1
400.32990	7.1
400.37976	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	399.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.05503	24.8
57.03412	2.1
57.07058	8.0
58.19768	1.9
58.98362	2.0
65.37292	1.9
67.05495	26.7
69.07052	29.6
70.58734	8.6
72.93758	6.5
79.05475	14.1
81.03399	4.3
81.07048	52.0
83.04972	3.5
83.08605	12.8
85.06527	5.0
91.05479	16.6
93.07034	55.7
95.04971	4.9
95.08594	98.1
96.08939	3.2
97.10127	6.4
99.04457	6.5
101.05999	10.4
105.07011	30.7
107.07854	3.7
107.08578	66.7
108.08936	2.9
109.06511	3.8
109.10141	56.8
110.85401	2.0
111.08098	3.9
111.11694	3.8
113.96309	3.1
116.26726	1.9
117.06965	2.8
119.04891	12.6
119.07740	1.6
119.08564	44.3
121.06480	2.6
121.10122	53.9
122.10516	2.4
123.08077	2.9
123.11694	23.0
131.08556	8.7
133.10124	44.5
135.08046	6.2
135.11671	92.4
136.11987	3.4
137.13226	10.5
139.07539	2.7
143.08525	3.1
145.10074	14.6
147.04399	23.3
147.11670	34.8
148.04758	2.3
149.13243	37.9
150.13445	2.3
151.11221	3.0
152.96306	3.1
153.09074	2.8
159.11661	16.4
160.12294	2.8
161.13220	19.2
163.11127	3.4
163.14810	9.4
167.10594	3.0
173.13263	10.2
175.11220	2.4
175.14799	18.3
177.12718	24.3
177.16359	7.8
178.97803	4.3
181.12247	8.0
187.14822	6.1
189.12695	2.4
189.16368	19.5
191.14272	6.9
191.17903	34.0
192.99565	4.4
193.12169	3.3
195.13763	55.9
195.15433	3.1
196.98946	2.8
199.14758	4.7
201.16362	6.8
203.17923	46.6
204.18253	2.5
205.19484	14.4
207.13840	13.5
209.15372	16.7
215.17953	4.8
216.01103	10.7
217.01199	2.4
217.19441	20.6
221.15393	5.4
229.19614	2.6
234.02180	4.6
235.16895	2.8
243.21033	6.4
249.18486	2.8
257.03784	3.3
257.22601	3.2
260.00073	5.9
261.18387	3.7
275.20251	3.6
278.01041	17.8
279.01553	2.9
301.02805	5.4
301.21582	3.5
303.23193	2.8
315.23199	3.6
329.24768	4.9
343.26532	2.4
381.31674	3.2
399.32584	100.0
400.32880	9.1
400.37741	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	399.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08599	1.5
53.03935	3.9
55.01861	2.9
55.05503	20.9
57.03416	2.8
57.07068	4.2
59.05000	1.6
67.05496	27.7
69.03412	2.4
69.07061	21.1
71.04981	2.8
71.08625	4.6
71.62535	2.0
73.02921	1.7
79.05482	12.3
81.03399	3.0
81.07050	60.5
82.07387	2.6
83.04963	5.3
83.08611	10.4
85.02883	1.9
85.06552	6.6
85.10156	1.5
91.05463	12.4
93.07034	44.3
94.07374	1.9
95.04942	4.2
95.08598	100.0
96.08937	2.5
97.02857	1.8
97.06522	5.0
97.10157	6.3
99.04446	3.0
99.08060	2.0
101.06007	8.8
105.07013	23.2
107.07858	2.8
107.08583	52.9
109.06511	5.2
109.10144	39.1
111.04460	1.4
111.08041	3.8
111.11701	1.9
117.07004	2.4
117.62247	1.3
119.08568	27.0
120.08920	1.9
121.06499	3.8
121.10136	40.6
123.08022	2.0
123.11688	9.8
125.09621	4.4
129.05499	3.1
131.08551	7.8
133.06459	2.0
133.10114	25.3
135.08052	5.5
135.11679	52.7
137.13249	5.9
140.98369	1.8
143.08551	3.6
145.10143	11.4
147.11676	20.4
149.09634	5.0
149.13251	29.2
151.11157	3.3
153.09065	3.8
157.10155	4.7
159.11662	14.7
160.11937	1.6
161.09656	2.5
161.13249	11.3
163.11182	5.5
163.14795	9.3
167.10730	2.4
169.09964	1.9
171.11691	3.9
173.11844	2.4
173.13217	11.1
175.14853	9.5
177.12730	14.2
177.16347	4.3
179.10695	3.9
179.14211	1.6
181.12233	3.1
185.13235	3.1
187.11304	2.1
187.14813	4.9
189.12740	2.6
189.16383	12.8
191.14313	13.1
191.17928	79.5
191.99042	1.5
192.18297	4.4
193.12250	2.5
195.13791	22.5
197.13283	3.1
199.14879	3.9
201.16333	4.0
203.17966	17.5
205.15796	3.6
205.19501	6.3
207.13812	6.5
209.15334	37.7
211.14838	2.0
213.16309	3.5
215.72812	1.8
217.15883	1.6
217.19528	8.4
229.08716	1.4
229.15872	1.8
243.20976	2.0
257.22812	1.5
269.23160	1.5
307.20526	1.8
321.25623	2.1
329.24609	1.9
357.28528	1.6
381.27582	8.1
381.32034	2.1
399.24231	3.2
399.28674	13.6
399.33075	45.0
400.32996	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	399.3254
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
50.98581	0.5
55.05504	3.1
55.43000	0.5
57.07060	1.3
67.05499	6.4
67.42908	0.5
69.03413	1.4
69.07054	5.9
70.81628	1.4
71.04964	0.6
71.82664	0.6
79.05489	3.6
80.05746	0.6
81.07045	16.0
82.07369	0.6
83.08605	2.9
85.06544	1.0
89.52423	0.5
91.05467	3.4
93.07035	12.0
93.94769	0.6
95.08596	20.8
97.06490	1.1
97.10158	1.5
101.05990	1.0
105.07013	10.5
107.08578	17.2
109.06528	1.7
109.10143	12.6
111.08057	0.9
117.06993	1.5
119.08562	11.7
121.06494	2.0
121.10130	15.8
123.08039	1.4
123.11691	8.0
131.08556	4.1
133.10115	11.0
135.08076	1.9
135.11676	16.3
137.13245	2.9
137.33792	0.5
143.08548	1.7
144.09334	1.3
145.10085	4.9
147.08006	0.7
147.11658	11.2
149.09592	1.2
149.13243	8.7
151.11156	1.4
153.09076	0.7
154.74957	0.5
157.10115	1.8
159.11676	11.8
161.09657	0.7
161.13235	4.8
163.11189	1.5
163.14778	3.8
165.12794	0.6
171.11700	2.1
173.13232	3.6
174.13689	0.6
175.11169	2.0
175.14832	2.5
177.12733	14.2
177.16399	1.9
183.11658	0.8
185.13342	0.9
187.14792	1.6
189.12714	1.9
189.16302	3.2
191.14297	4.8
191.17918	15.1
195.13745	1.7
197.47798	0.6
199.14661	0.9
201.12790	0.9
201.16318	1.4
203.14272	1.8
203.17947	5.3
205.15860	0.7
205.19516	1.6
207.13713	0.8
209.15385	2.1
211.14807	1.0
213.16348	0.8
215.14374	1.5
215.17923	0.7
217.15828	0.8
217.19510	4.1
219.17554	0.9
227.17923	0.8
229.19528	1.1
241.19608	0.5
241.90443	0.6
243.17305	0.7
243.21062	0.8
245.19022	2.7
257.22662	0.7
259.20544	1.7
261.18448	0.6
271.20505	0.9
285.22180	1.1
310.96063	0.5
311.23636	1.3
351.78381	0.6
363.30508	1.2
381.26730	0.8
381.31516	15.8
382.31924	1.2
385.96896	0.6
399.32556	100.0
400.32947	8.5
400.37863	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2372
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
55.05495	1.1
57.03426	0.8
59.04996	0.5
67.05482	1.6
69.03406	1.6
69.07055	1.2
70.19429	1.2
70.19827	1.1
71.04957	0.7
76.24460	0.5
79.05463	1.9
81.03403	1.4
81.07045	3.3
83.04984	1.0
85.02883	3.1
85.06507	0.7
87.84544	0.6
88.41154	0.5
91.05463	1.3
93.07030	4.1
95.04932	1.0
95.08600	3.3
97.02856	1.3
97.06514	4.6
105.07013	3.1
107.04944	1.0
107.08599	3.2
109.02844	1.7
109.06477	1.0
109.10136	4.1
111.07348	1.0
111.08067	13.7
119.08533	2.1
121.06507	1.2
121.10119	3.2
122.09518	0.6
123.08035	1.1
123.11685	1.1
125.09602	0.9
127.03896	1.4
127.05464	0.6
131.04904	1.1
131.08539	1.2
133.10115	1.3
135.08046	3.4
135.11655	2.5
137.05942	1.4
137.09535	1.0
145.04927	1.0
145.10092	2.2
147.11661	4.4
149.09583	1.0
149.13272	0.7
158.47812	0.6
159.11656	1.7
161.09628	0.6
161.13252	1.1
163.05928	0.8
163.11140	5.3
165.12694	0.9
167.07014	2.2
173.13226	0.8
176.11836	0.9
176.45987	0.6
181.04933	0.7
187.07753	0.6
189.12701	5.8
191.14255	0.6
201.16339	1.7
204.15073	7.9
219.17407	100.0
220.17841	3.2
232.17502	0.6
237.18469	3.8
277.08441	0.7
305.07910	0.6
307.09796	0.8
339.11880	0.9
360.56943	0.7
367.11761	0.7
381.19107	0.7
399.14426	3.7
399.19421	0.8
399.27264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2372
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03901	1.3
55.01842	1.2
55.05485	1.6
57.03407	1.9
61.02893	2.7
65.46182	0.7
67.05493	3.6
69.03423	9.1
69.07022	2.2
70.83234	1.7
71.04974	3.3
71.08611	0.8
73.02898	1.5
75.71155	0.6
77.55252	0.6
79.05492	3.7
81.03382	3.2
81.07044	11.3
83.01324	1.0
83.04939	1.2
83.08595	1.4
85.02892	19.1
85.06506	1.3
87.04428	2.4
87.54497	0.8
91.05453	3.4
93.07030	6.8
95.04958	1.7
95.08595	5.9
97.02870	6.4
97.06535	5.2
99.04423	2.4
99.08051	1.6
105.07011	6.9
107.04923	1.0
107.08583	7.1
109.02857	2.9
109.06482	2.7
109.10131	10.5
111.08063	14.1
115.03919	0.9
117.06973	1.3
119.08553	6.7
121.06452	2.9
121.10126	8.2
123.08066	4.1
123.11681	5.8
125.05914	1.8
125.09584	2.4
127.03893	4.1
127.07550	1.5
129.05467	1.1
129.06911	1.1
131.08519	3.7
133.10115	6.0
135.08051	4.6
135.11656	5.2
137.05971	1.9
137.09592	1.3
139.07414	0.7
143.08536	1.0
143.10612	1.6
145.04910	2.0
145.10097	4.4
147.11676	9.0
149.09570	1.9
149.13232	2.6
151.07506	1.9
151.11153	1.2
153.12688	0.7
157.10106	1.0
159.11659	5.6
161.08226	0.7
161.09596	3.3
161.13208	2.8
163.05983	1.1
163.11166	6.6
167.06990	3.0
173.13220	2.3
177.12689	3.0
177.16251	0.8
179.10626	2.6
179.14241	3.1
181.04942	0.7
189.12721	6.4
191.14291	2.1
201.12558	0.7
201.16394	2.5
203.17873	1.0
204.15076	9.4
207.13770	11.7
219.13799	5.0
219.17404	100.0
220.17755	2.1
237.14818	77.1
237.18251	5.0
238.15137	2.5
245.08189	0.7
322.11746	0.7
337.10669	1.0
367.11575	0.9
376.50833	0.7
381.13260	0.7
399.20068	63.8
400.20520	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.4
55.01865	2.1
55.05508	21.5
57.03427	10.6
57.07057	2.2
59.04993	8.3
61.02890	2.7
69.03142	1.2
69.03427	14.6
69.07044	2.6
69.16407	1.2
70.64825	4.2
71.04984	15.5
71.08610	4.6
72.69919	1.3
73.02888	3.2
73.06545	40.9
75.81792	1.1
79.05482	1.3
81.03412	6.6
83.04971	25.7
85.02894	33.4
85.06504	3.6
85.10152	1.6
87.04427	1.6
89.06016	12.4
95.04929	1.5
97.02876	20.6
99.04441	2.2
101.06007	100.0
103.07567	4.1
107.04919	1.6
109.02833	6.1
111.04433	2.7
113.05968	2.5
119.07047	32.7
121.08598	1.6
125.02308	2.4
127.03890	20.0
129.05417	4.5
129.85922	1.2
137.08073	34.6
145.04961	16.7
147.06480	4.7
153.01816	1.8
163.05989	1.9
175.04193	1.8
217.10464	1.3
225.08965	1.3
227.09052	4.2
237.02734	1.2
245.10291	6.3
255.19423	1.3
263.11172	9.1
316.19879	1.2
319.14008	2.1
339.09241	1.7
357.04666	1.6
363.16229	1.9
381.17807	1.6
399.08862	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	399.201
Annotation	Ptaquiloside
Peak:m/z	Relative Intensity
53.03934	2.4
55.01849	2.1
55.05491	2.7
57.03421	3.5
57.07061	1.3
61.02903	3.9
62.41387	0.9
67.05492	4.1
69.03417	12.4
69.07039	2.8
70.73875	2.1
70.74191	0.9
71.04972	3.4
73.02904	2.9
79.05475	4.3
81.03418	5.3
81.07050	15.0
83.04964	2.6
83.08590	1.2
85.02891	25.8
85.06519	1.3
87.04459	1.2
90.23418	0.9
91.03967	0.8
91.05467	3.4
93.07034	9.8
95.04948	2.5
95.08589	8.4
97.02883	8.3
97.06515	5.7
99.04443	2.0
99.08062	1.6
105.07025	8.4
107.04942	1.3
107.08584	8.1
109.02866	3.9
109.06503	2.8
109.10139	11.9
111.04429	0.9
111.08070	10.9
119.08559	5.8
121.06497	1.7
121.10123	6.5
123.08030	4.4
123.11716	6.3
125.05997	2.6
125.09604	2.0
127.03871	4.3
127.07535	1.3
129.05434	1.2
131.08543	3.9
133.06549	1.3
133.10121	5.7
135.08046	5.7
135.11687	5.8
137.05981	2.2
137.09628	3.2
139.07578	1.6
142.69394	0.8
143.08592	1.5
143.10667	1.1
144.09291	1.3
145.04982	2.6
145.10124	4.1
147.11662	10.5
149.09619	3.9
149.13243	2.9
151.07484	4.1
151.11214	1.5
153.12721	0.8
157.10175	1.5
158.65157	0.9
159.11705	6.8
161.09598	3.9
161.13251	3.5
163.11139	7.3
165.12801	1.2
167.07082	2.9
173.13245	2.7
175.11209	1.2
175.14726	0.9
177.12747	3.8
179.10680	2.7
179.14276	4.7
187.07491	0.9
189.12718	7.2
191.14301	3.5
201.12709	2.5
201.16406	3.1
204.15123	6.6
205.20036	1.0
207.13783	19.2
219.13838	6.7
219.17409	78.2
220.17781	3.0
237.14818	100.0
237.18222	5.7
238.15186	3.9
285.84918	0.9
310.61664	0.8
399.15115	2.9
399.20078	73.6
400.20419	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	399.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.5
55.05494	2.0
56.96542	9.4
57.03413	6.7
57.07066	2.9
57.11522	1.9
61.02905	6.0
69.03418	25.4
69.07030	2.3
69.65408	4.4
69.65816	10.1
70.02953	3.3
71.04982	3.9
71.08607	2.6
72.04497	3.1
72.08144	2.8
73.02890	8.9
74.02415	3.6
75.10077	2.4
81.03409	13.3
81.04525	2.1
81.07043	4.7
82.02898	2.3
83.04974	2.3
85.02893	62.8
85.10172	2.2
86.09716	2.0
87.04417	2.0
91.03925	2.2
91.05478	3.5
95.04955	2.0
97.02863	26.4
98.97555	13.1
99.04440	4.9
101.06017	4.2
103.03944	2.4
108.04488	2.8
109.02867	7.6
109.05215	1.9
110.06032	21.6
111.04402	2.8
115.03965	2.5
116.98586	10.8
119.01888	9.5
119.04949	2.5
122.05993	4.2
122.07098	3.6
127.03895	13.5
128.03459	2.3
128.98613	5.1
129.05438	3.0
130.06525	3.9
131.01868	6.3
131.05095	2.0
132.04398	2.8
134.05992	8.0
134.99667	4.1
136.06165	4.3
137.05965	5.7
139.04236	2.2
143.01866	2.8
143.03387	4.4
145.03416	3.9
145.04919	3.1
146.05988	70.6
146.99654	6.1
147.04370	2.2
147.06403	4.8
148.03889	25.5
148.07570	6.7
149.01173	2.6
150.05472	5.0
152.07033	2.3
153.01796	47.2
153.02968	4.1
154.02138	3.3
155.01901	3.7
157.07596	4.0
158.06003	7.0
158.99664	3.1
159.06799	2.8
160.06372	4.3
160.07574	14.6
161.01192	3.7
161.02919	5.3
161.07060	19.2
162.05466	13.8
163.04103	3.0
164.07048	9.4
165.03975	2.9
167.07036	3.4
169.03467	2.7
170.06009	6.7
170.99570	2.8
172.07550	4.2
173.02942	3.6
173.07071	54.4
174.05486	46.9
174.07726	3.2
175.04463	2.6
175.08594	14.5
176.07079	6.5
177.00722	4.6
183.05112	3.1
183.06665	2.6
185.02901	3.1
185.07018	10.0
186.05377	4.0
186.07872	3.3
187.04483	4.3
187.06261	3.1
187.08580	7.1
188.07033	12.1
190.05013	7.2
191.08134	46.0
192.06509	5.5
195.05077	3.0
197.02951	6.7
197.06956	5.2
198.05492	2.7
198.07846	3.0
199.08594	12.7
200.07141	4.1
201.06560	11.9
202.05022	5.1
202.06979	2.9
203.08124	4.8
204.06659	2.8
211.08693	3.3
213.02463	4.8
215.08130	9.5
216.06528	11.1
217.09338	4.5
219.01784	4.5
219.07622	100.0
219.09781	5.0
220.05896	4.3
220.07953	4.3
221.03101	3.4
221.05124	7.4
223.08542	3.0
225.06566	9.4
227.06580	2.5
227.56870	2.6
229.09113	2.7
231.07462	3.0
232.08374	6.1
233.09174	20.5
237.02666	9.3
237.08644	61.0
243.07578	12.0
244.04146	3.6
247.06993	5.9
249.02716	3.0
255.03487	8.4
261.08609	16.9
267.03683	2.6
267.17081	2.4
279.03580	4.0
279.06760	2.3
279.09714	38.9
281.05072	3.2
290.10168	3.7
297.04514	2.4
307.06519	2.3
309.08713	2.6
319.12405	6.7
336.06641	3.5
339.05600	12.3
339.09396	7.9
345.10529	4.2
357.06638	9.5
357.10492	2.6
363.11838	14.1
364.10190	4.6
375.07660	3.6
380.08109	2.5
381.13000	30.2
393.08798	6.8
399.12875	97.4
400.13153	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	398.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.7
57.03428	22.9
57.07062	4.3
59.04995	1.7
61.02919	10.5
67.05482	1.7
69.03063	2.4
69.03415	25.6
69.07056	50.2
70.92774	4.6
71.01331	3.5
71.04980	3.9
73.02905	23.6
81.03419	8.3
81.07032	6.7
83.04958	2.5
83.79657	1.4
85.02891	100.0
85.06527	4.5
86.03206	2.8
87.04438	6.0
91.03927	4.8
91.05429	2.3
93.07047	3.3
95.04945	3.1
95.08624	2.5
97.02881	39.5
97.06535	1.8
97.85882	1.9
99.04415	3.9
103.03903	2.5
105.06973	2.1
107.08550	1.9
109.02860	11.1
109.06561	2.4
111.08066	4.8
115.03908	17.9
115.07529	3.7
119.08572	2.3
121.06540	1.9
123.08086	1.7
127.03895	38.2
131.08521	2.1
132.06535	4.2
133.04935	29.6
135.08058	1.9
145.04932	67.1
146.05229	1.7
147.08090	1.9
149.09572	1.5
150.07605	7.2
153.09123	1.9
163.05981	47.7
165.09100	3.1
167.07054	2.3
175.05905	2.2
180.08759	1.5
183.10101	5.9
190.05022	2.1
193.04903	2.8
195.10149	4.8
201.11183	4.8
205.10699	1.5
206.06670	1.9
213.11203	7.3
219.12268	1.6
223.05896	1.8
231.12193	3.5
236.09041	1.9
236.12836	2.1
241.07086	4.4
247.11641	3.6
259.08157	4.8
266.08734	2.1
266.15793	1.5
269.06262	4.4
295.09995	2.4
314.59412	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00069	1.7
53.03924	2.4
55.01860	4.6
57.03435	14.4
59.04982	3.2
61.02904	6.5
67.05483	5.9
69.03420	24.3
69.07052	12.2
71.04982	5.6
71.62255	3.0
72.02284	2.2
73.02908	25.3
76.21709	2.0
79.05486	4.5
81.03396	6.0
81.07058	3.8
83.04943	4.0
85.02423	3.0
85.02896	52.4
85.06518	3.4
87.04466	14.2
91.05444	10.5
93.07025	7.2
95.08567	10.6
97.02876	34.7
97.06507	6.2
99.04446	3.5
101.02363	6.5
103.05460	5.0
105.07022	3.4
109.02864	6.4
109.10158	10.0
115.03914	31.1
118.91401	2.0
119.08566	33.9
123.04411	2.3
123.08045	2.1
124.07619	3.1
125.05996	2.5
127.03882	15.6
131.04913	11.2
133.04939	28.8
137.09595	44.8
140.36113	2.0
143.07031	2.9
145.04941	23.1
147.07964	6.8
150.07607	2.7
153.01823	2.9
155.10597	3.6
161.05956	4.8
163.06010	11.2
163.07329	5.5
165.09096	5.8
175.07491	2.4
183.10115	5.1
185.58412	2.0
200.10658	5.7
200.17226	2.2
201.11198	100.0
219.12170	14.2
241.06967	2.8
259.07999	2.5
266.69254	2.5
295.10217	3.1
303.01459	2.2
312.99756	3.4
399.07028	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	398.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01860	6.4
55.05524	1.9
56.05032	2.0
57.03434	20.8
57.07061	1.7
59.04996	8.9
61.02919	11.5
62.52769	1.8
67.05496	4.6
69.03418	59.3
69.07056	22.9
70.92484	5.5
71.04981	8.7
73.02910	47.9
74.19721	1.7
79.05473	3.4
81.03403	8.6
81.07070	8.6
83.04966	4.2
84.04510	2.0
85.02895	100.0
85.06523	4.5
87.04457	33.9
89.06030	4.9
91.03928	3.6
91.05471	5.8
93.07036	7.0
95.04952	4.6
95.08614	6.0
97.02881	72.5
97.03509	3.6
97.06522	4.6
98.20778	1.8
99.04452	4.7
99.08085	4.5
101.05991	4.7
103.03940	2.3
105.07017	4.4
107.08575	4.7
109.02846	10.5
109.06483	3.2
109.10159	4.0
111.08073	8.1
113.06019	1.9
115.03915	64.1
116.07076	7.2
117.05505	3.2
119.08569	7.7
121.02884	10.2
121.20119	1.9
123.08046	2.0
124.07575	3.0
127.03908	29.3
129.05469	12.2
130.05786	5.2
131.04950	2.7
131.07062	2.0
133.04947	74.9
135.06468	2.0
135.08069	5.6
137.09590	7.7
145.04932	47.1
147.04422	4.3
147.06564	2.9
147.08000	3.9
149.05966	3.9
150.07611	10.2
153.09079	6.2
161.05934	2.9
163.06020	23.5
163.07397	4.2
165.09177	5.9
167.07054	9.0
183.10156	6.1
183.13792	4.0
184.07309	2.4
187.13429	3.5
195.10136	2.3
201.11191	22.8
201.14856	3.6
213.11253	4.4
217.06960	2.1
219.12242	8.0
219.15767	2.0
223.06052	4.2
236.09029	4.2
236.12776	2.3
237.07539	1.9
241.07027	4.4
249.13228	2.9
251.16812	1.8
259.08069	8.8
277.09207	3.1
295.10205	6.8
312.99622	2.3
399.07108	2.9
399.12662	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	398.1488
Annotation	2-Methylthioribosyl-trans-zeatin
Peak:m/z	Relative Intensity
55.01845	0.4
55.05508	0.4
57.03416	1.6
58.16800	0.4
67.05482	1.2
68.05016	0.4
69.03416	1.6
69.30051	4.1
71.04994	0.4
73.02907	0.7
79.05466	0.5
80.68573	0.3
81.03384	1.5
81.07031	1.2
82.03735	0.4
82.07346	0.4
83.04961	0.5
85.02873	1.5
91.05470	0.6
91.26143	0.4
92.16849	0.3
93.07017	1.5
94.07332	0.7
95.04972	0.6
95.08597	0.6
97.02893	0.6
97.06511	1.0
99.04385	0.5
104.61977	0.4
105.07012	0.8
106.07370	0.6
107.08610	0.5
109.02874	2.0
109.06530	0.5
109.10162	0.4
110.03193	0.8
110.06780	0.4
111.08057	0.8
119.08556	0.9
121.06512	1.0
121.10157	0.4
122.06815	0.7
127.03895	1.5
127.07565	0.6
134.04590	6.5
135.03015	0.5
135.08009	0.4
136.08363	0.4
137.05856	0.4
140.02713	0.7
140.07788	0.4
147.11687	0.9
148.11977	0.8
152.05629	1.5
158.72971	0.3
158.92693	0.4
161.09561	0.7
165.02298	4.4
165.12840	0.5
166.13028	0.4
167.02580	1.1
172.11917	0.4
175.09737	0.4
175.11163	0.6
176.11526	0.7
176.87413	0.4
180.57130	0.4
181.05408	0.8
182.04935	100.0
183.05289	2.0
184.33722	0.4
189.12660	0.5
190.13100	0.6
191.10951	0.4
193.12218	1.0
194.04942	2.8
194.12650	0.9
200.09332	1.1
200.11494	0.6
201.05360	0.3
205.05438	1.9
212.13618	0.5
216.04666	1.2
217.12254	0.8
218.12572	1.4
218.16406	0.4
219.06976	1.0
221.08528	0.5
224.05882	0.7
231.06949	6.6
235.13113	0.8
236.13577	1.6
237.11093	0.4
248.09642	10.6
254.14650	0.9
266.10663	77.2
267.10904	2.8
314.09164	0.4
398.14856	40.8
399.14993	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74463	1.2
53.03937	3.2
55.05498	11.9
57.07073	18.0
59.04977	1.3
61.22261	1.4
64.79719	1.1
67.05212	1.4
67.05495	14.6
69.07061	13.7
69.45700	12.1
71.08623	30.9
79.05486	11.7
81.03393	1.9
81.07047	27.8
83.08623	6.9
85.06538	4.4
85.10174	16.7
89.06018	27.8
91.05459	15.0
93.07030	34.9
95.04961	3.5
95.08597	46.9
97.06496	2.8
97.10146	3.1
99.04440	6.0
101.06017	6.0
103.05469	2.3
105.07014	21.4
105.07678	2.1
107.08581	34.7
107.09280	2.4
109.06525	2.4
109.10146	21.0
111.08038	1.6
111.11706	2.6
117.06995	4.6
119.04938	2.5
119.08562	41.6
121.06486	36.0
121.07362	2.1
121.10119	25.3
123.08083	2.5
123.11671	8.9
127.07580	2.1
129.07024	2.6
131.08543	9.3
133.08612	11.1
133.10110	29.2
135.08044	2.6
135.11668	26.0
137.13248	4.4
143.08548	6.2
144.09346	3.7
145.10112	35.2
146.10500	2.7
147.08034	5.1
147.11665	29.4
149.09601	1.7
149.13264	10.2
151.11169	1.9
157.10106	5.9
158.10783	1.8
159.11676	59.0
161.09613	2.2
161.13228	13.6
163.11183	4.9
163.14796	10.3
163.87073	1.3
165.09068	22.9
165.12688	1.6
171.11665	6.7
173.13234	20.9
175.11212	2.9
175.14842	7.4
176.60234	1.3
177.11234	4.1
177.12756	6.9
177.16336	2.3
179.10744	2.1
181.12263	5.1
183.10118	3.0
185.13252	3.8
186.13974	1.4
187.14813	27.3
188.15440	1.8
189.12686	2.1
189.16368	45.6
191.14290	2.8
193.12238	3.6
195.13855	7.3
197.13258	1.5
199.14905	4.3
201.16351	34.8
202.16887	1.5
203.17940	20.0
207.13768	12.7
209.11757	4.9
209.15431	3.1
211.14848	1.7
213.16422	5.0
215.17906	13.6
217.15906	1.3
217.19540	3.8
227.12741	2.0
227.18015	3.7
229.19447	2.4
233.15323	2.9
235.16895	3.7
239.17975	1.6
241.19537	2.4
247.17020	1.4
247.20580	2.7
249.18556	3.1
253.19699	1.7
255.21082	3.5
257.22610	1.9
259.16730	2.2
271.15335	31.3
273.18750	1.4
281.22705	2.4
287.20004	2.8
291.23206	2.0
296.24893	1.7
297.25668	1.5
301.21671	2.7
333.15009	1.4
361.29105	1.5
374.95520	1.3
379.30121	2.8
397.31000	100.0
398.31299	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	397.3094
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
53.03927	1.2
55.01845	0.7
55.05497	9.5
56.96547	1.4
57.03431	1.3
57.07056	2.1
57.51374	0.7
59.04958	1.0
61.02910	1.2
67.05491	13.4
68.05794	1.0
69.03407	1.6
69.07056	10.3
70.06585	0.9
71.04980	1.5
71.08618	0.9
71.62497	1.4
79.05476	7.6
81.07043	22.4
82.04263	0.7
82.07368	0.7
82.48980	0.6
83.04954	2.5
83.08608	4.1
83.19687	0.6
85.02859	1.5
85.06530	4.3
86.92644	0.7
91.05462	8.6
93.07032	16.9
95.04941	2.1
95.08593	24.8
97.02882	1.4
97.06517	2.2
97.10166	3.6
99.04417	1.8
101.05995	2.6
103.05470	0.8
104.90757	0.7
105.07018	14.4
107.08578	19.5
109.06498	2.0
109.10139	15.5
111.08059	1.7
111.11678	1.0
111.33353	0.6
117.06990	2.8
119.08563	21.8
121.10130	13.7
123.08060	1.7
123.11692	6.4
125.09615	0.9
127.07522	1.0
128.06229	0.8
129.06969	2.2
131.08534	7.4
133.06491	0.8
133.10114	15.2
133.11079	1.4
135.08003	2.0
135.11668	9.3
137.09610	1.3
137.13232	1.5
142.07767	1.1
143.08562	4.4
144.09392	0.7
145.10083	12.3
147.11667	13.0
149.09564	1.5
149.13231	7.7
151.11110	1.4
153.09044	0.7
155.08543	1.4
157.10080	8.3
158.10960	0.7
159.08072	0.8
159.11671	15.5
161.09631	0.9
161.13239	10.3
163.11226	1.5
163.14761	4.4
165.12785	1.1
167.10585	0.9
169.10124	1.3
170.10849	0.7
171.11644	8.0
172.12354	1.5
173.13261	10.2
174.14005	1.3
175.11156	1.4
175.14772	10.5
177.12733	1.2
177.16331	2.5
179.10617	0.7
181.12219	1.4
183.11713	2.5
185.13220	5.8
186.13925	1.1
187.14783	10.8
189.12714	4.5
189.16354	13.6
191.14304	1.2
191.17926	3.0
193.15887	1.0
195.13898	0.9
197.13229	3.9
199.14801	4.3
200.15306	1.2
201.16351	10.8
203.14330	1.0
203.17932	5.7
207.13757	3.8
209.15376	1.9
211.14835	3.3
212.15503	1.7
213.16377	4.9
215.14345	2.0
215.17885	4.5
217.15839	1.2
217.19554	1.0
221.15344	1.1
223.14789	0.8
225.16354	3.5
226.17047	1.1
227.17876	7.2
228.18500	1.4
229.19502	2.5
231.17493	0.8
235.16920	1.7
237.16331	1.2
239.17978	1.0
241.19380	4.2
242.20178	1.5
243.21098	0.9
247.16983	1.3
253.19511	3.0
255.21077	3.2
261.18576	1.0
265.19492	0.9
267.21146	1.2
269.22617	0.9
273.18387	2.0
275.20065	2.4
281.22562	2.4
283.06311	1.5
283.24121	1.1
295.20383	0.9
296.24899	3.2
297.25641	1.4
301.21558	2.6
313.21487	1.7
315.23154	0.8
327.23267	1.4
341.24704	1.4
349.16821	1.7
355.26361	1.1
379.26004	1.5
379.29935	4.5
397.30991	100.0
398.31323	7.9
398.36011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.4
54.92406	1.6
55.01857	7.8
55.05502	10.0
57.03421	2.7
67.05487	16.2
69.03419	26.5
69.07069	10.7
70.08984	6.4
71.04980	8.0
79.05482	25.4
81.03405	57.4
81.07047	44.6
83.04973	26.5
83.08597	5.3
85.02892	9.8
85.06535	9.6
91.05473	17.6
93.06461	3.2
93.07034	56.9
95.04958	20.7
95.08592	21.5
97.02867	6.9
97.06524	34.1
98.21946	1.7
99.04442	20.7
103.05489	2.3
105.06296	2.0
105.07011	44.9
107.04932	6.0
107.08581	35.1
109.02866	100.0
109.06508	27.8
109.10134	7.5
110.03684	2.0
111.04412	9.0
111.08079	18.4
111.08790	3.0
113.05984	4.7
115.05424	1.7
117.07018	4.4
119.08562	25.6
121.06493	48.7
121.10119	10.2
122.06826	2.7
123.04431	4.2
123.08033	10.0
123.11687	9.6
125.02290	3.8
125.05967	14.3
127.03907	32.4
127.07542	12.3
128.06210	2.6
129.06985	3.9
131.08560	7.1
133.06456	6.4
133.10104	20.4
135.04398	4.4
135.08035	18.7
135.11671	3.0
137.05969	18.6
137.09595	3.1
139.07526	15.4
141.05435	4.0
142.07739	5.8
143.06966	8.3
143.08533	5.9
145.06442	3.4
145.10130	12.3
147.04388	2.1
147.08026	6.6
147.11659	57.5
149.05975	3.9
149.09605	5.0
151.07532	4.7
151.11169	4.2
153.05475	1.8
153.09071	3.7
155.07040	2.5
155.08534	4.4
156.09294	3.5
157.08600	4.8
157.10117	14.8
159.06654	2.1
159.08101	4.0
159.11688	3.3
161.06020	4.8
161.09630	7.2
161.13225	13.7
163.11105	2.5
165.08997	2.0
165.12762	24.9
169.12242	7.3
171.08061	2.9
171.11649	14.3
173.09595	5.8
173.13257	2.9
175.07632	3.2
175.11159	33.2
177.09061	2.4
181.10075	3.4
183.13872	2.1
185.09651	2.5
187.06036	3.9
187.11111	3.1
189.12737	22.7
191.06996	2.4
191.10620	4.5
191.14334	2.6
193.12213	41.1
197.09540	3.2
199.11148	20.2
201.09093	1.6
205.12250	2.2
207.13831	15.5
209.11766	2.1
211.13242	24.4
213.09142	2.6
215.10587	4.0
217.12213	68.2
217.14282	3.7
218.12651	3.5
225.09103	3.6
229.14322	5.4
231.84039	1.8
233.11595	2.0
235.13261	59.1
236.13605	1.9
243.10147	3.5
248.73340	1.7
251.12889	1.8
253.14287	33.3
253.16797	2.6
254.14462	2.0
273.11252	8.0
289.11801	2.4
297.14853	2.2
315.15869	2.9
319.15451	3.6
325.14142	2.1
333.16904	2.3
337.16507	3.2
343.15341	5.6
351.12167	2.4
354.14822	2.5
361.16360	4.2
379.17877	10.5
397.18753	38.5
398.17996	2.2
404.56772	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1851
Annotation	Wallichoside (Pteris)
Peak:m/z	Relative Intensity
53.03944	10.0
55.01857	6.4
55.05498	10.8
57.03429	2.8
57.07062	2.0
65.06531	1.6
67.05496	16.0
69.03423	21.6
69.07055	15.7
69.80599	9.9
71.04988	9.5
71.80645	1.3
79.05482	23.3
81.03409	62.7
81.07046	47.1
83.04968	24.9
83.08604	4.8
85.02898	8.6
85.06533	8.8
86.11763	1.3
91.05475	17.1
93.07031	53.1
95.04949	18.4
95.08595	21.0
95.37428	1.6
97.02865	5.9
97.06524	31.4
98.21403	1.8
99.04439	26.4
101.05995	2.5
101.17689	1.8
103.03947	1.9
103.05468	2.1
105.07014	46.5
105.52671	1.3
107.04958	5.9
107.08572	36.7
109.02865	100.0
109.06500	24.3
109.10114	8.3
110.03643	1.9
111.04435	8.2
111.08066	15.8
112.36211	1.4
113.05990	3.9
115.07613	2.0
117.07024	5.3
119.04947	2.5
119.08575	30.9
121.06495	50.3
121.10133	8.4
123.04413	6.3
123.08003	7.9
123.11687	6.2
125.02352	2.1
125.05983	14.3
125.09541	1.6
126.03073	1.8
127.02506	1.6
127.03902	42.7
127.07544	11.6
128.06230	2.5
129.06990	6.0
131.08539	9.6
133.06487	3.2
133.10123	20.4
135.04433	4.5
135.08029	18.9
135.11711	2.0
137.05974	8.3
137.09599	2.5
137.13271	1.9
139.07515	15.5
141.05420	2.2
141.07028	2.0
142.07762	3.8
143.07001	9.5
143.08553	8.3
145.06464	2.9
145.10103	14.1
147.08057	6.3
147.09161	3.2
147.11670	62.8
147.79723	1.5
148.12151	1.6
149.05945	2.3
149.09586	4.0
149.13229	1.9
151.07553	3.5
151.11159	4.6
153.09117	2.5
155.07117	2.1
155.08517	3.0
156.09358	2.7
157.08638	4.3
157.10139	17.4
157.11079	1.5
159.06691	1.8
159.08092	4.8
159.11696	3.8
161.05963	2.5
161.09625	3.9
161.13249	9.6
163.07533	2.9
163.11212	3.7
164.00383	1.7
165.12735	30.5
167.07002	1.6
169.05017	1.8
169.10098	1.9
169.12250	7.2
171.08078	3.7
171.11632	13.2
173.04413	1.7
173.09578	7.4
173.13235	2.3
175.07529	1.8
175.11165	35.1
177.09106	3.1
179.08527	1.6
181.10117	3.5
185.09671	1.5
187.06029	5.4
189.09067	2.1
189.12723	18.6
191.10680	3.9
191.14366	2.1
193.12222	37.5
197.09621	3.3
198.92090	1.6
199.11128	17.9
201.09143	2.6
205.12277	1.8
207.13797	19.6
209.11569	1.7
209.15419	1.9
211.13219	27.1
211.14931	2.2
213.12801	1.6
215.10663	3.1
217.10139	3.6
217.12213	68.9
217.15884	5.6
218.12624	2.0
219.10219	1.9
225.14902	2.2
229.14354	6.3
231.13980	1.5
233.11714	2.5
235.13264	62.2
236.13622	2.9
251.12669	3.2
253.14308	33.8
259.13651	1.5
273.15021	1.6
277.14227	1.6
315.15985	4.2
319.15558	2.6
325.14175	3.3
333.16919	2.2
335.18686	1.9
337.16571	4.7
343.15408	4.6
361.16486	9.6
362.51993	1.9
379.17636	10.7
397.13452	2.9
397.18555	49.4
397.23535	2.7
398.19131	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1852
Annotation	Wallichoside (Pteris)
Peak:m/z	Relative Intensity
53.03941	14.1
55.01862	4.7
55.05503	11.5
57.03430	2.2
65.03936	1.9
67.05493	15.9
69.03426	27.0
69.03770	3.7
69.07059	17.1
69.47661	4.1
69.48068	14.1
70.84222	2.2
71.04988	11.4
79.05478	29.5
81.03406	56.5
81.07048	56.7
83.04967	22.6
83.08621	5.1
85.02901	8.1
85.06512	5.9
91.05467	22.8
91.41547	2.0
93.07032	60.2
95.04961	19.0
95.08598	21.8
97.02872	8.4
97.06518	31.0
98.21468	4.2
99.04440	25.0
99.08131	2.2
103.05450	2.4
105.07017	47.6
107.04949	7.1
107.08576	40.9
109.02866	100.0
109.06500	29.0
109.10148	6.4
111.04434	9.9
111.08077	17.5
113.06007	3.7
115.05389	2.4
117.07001	5.4
119.08559	22.6
121.06489	55.9
121.10120	11.2
123.04401	5.5
123.08039	8.1
123.11687	6.2
125.02380	2.2
125.05984	11.2
125.09607	2.3
127.03894	36.6
127.07552	11.2
129.06987	7.3
131.04880	3.4
131.08519	11.1
133.06459	7.2
133.10115	17.6
135.04385	2.6
135.08047	20.0
135.11670	2.1
137.05954	12.8
137.13356	2.6
137.81090	2.1
139.07524	15.4
141.05408	2.5
142.07735	6.0
143.06990	9.9
143.08569	13.2
145.06480	5.8
145.10100	15.8
147.08028	6.0
147.11679	67.4
149.05962	3.0
149.13206	5.3
151.07639	4.2
151.11168	5.8
153.09122	3.3
155.08485	4.8
156.09293	2.2
156.35068	2.2
157.08612	6.4
157.10103	17.8
159.08060	5.0
159.11615	2.7
161.05951	3.9
161.09610	5.1
161.13223	10.9
163.07513	4.7
163.11142	3.5
165.12711	29.4
167.06963	4.2
169.12219	5.1
171.07980	3.2
171.11647	16.2
173.09622	8.4
175.07535	3.7
175.11156	43.0
177.42310	2.1
181.08665	2.1
181.10139	2.5
182.04974	6.6
187.05960	6.5
187.07460	4.2
187.11136	5.8
189.12727	27.3
191.06993	2.3
191.10703	5.3
191.14400	4.6
193.12218	47.8
197.09515	2.7
199.11153	23.0
201.09137	3.2
205.12253	4.3
207.13785	18.2
209.11783	2.7
209.15393	2.3
211.13271	28.8
213.09088	4.0
217.12198	74.4
217.14270	3.9
218.12547	2.5
229.14355	5.2
235.13246	66.7
235.16817	3.2
251.12788	2.9
253.14294	35.4
266.10669	7.2
289.08691	2.5
301.14218	3.5
315.15723	3.4
325.14502	3.6
335.12827	4.1
335.18256	2.8
336.13272	2.5
337.16409	5.0
338.11432	4.3
343.15286	5.1
347.12631	4.4
353.13788	8.4
361.16504	9.4
379.17914	11.5
394.06824	2.3
397.17593	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.185
Annotation	Wallichoside (Pteris)
Peak:m/z	Relative Intensity
53.03941	14.3
54.66521	2.0
55.01864	6.4
55.05497	13.8
57.03428	5.0
57.57476	2.0
62.51642	2.0
66.79983	2.1
67.05491	15.6
68.38161	2.4
69.03425	25.8
69.07073	12.2
69.49564	19.9
71.04974	12.1
75.75980	2.0
79.05482	24.1
81.03410	59.2
81.07044	45.0
83.04969	20.8
83.08599	4.0
85.02910	11.0
85.06525	8.5
91.05463	23.1
93.07031	59.5
95.04947	20.8
95.08601	23.0
97.02876	7.3
97.06516	28.3
98.20724	2.6
99.04433	24.2
101.05943	2.5
105.07021	48.7
107.04942	6.1
107.08573	39.7
109.02866	100.0
109.06523	25.5
109.10148	6.7
110.03663	2.8
111.04427	7.2
111.08060	17.2
113.06004	3.1
115.05504	3.0
117.06981	5.3
119.04916	2.6
119.08562	30.5
121.06490	58.0
121.10126	11.0
123.04419	4.2
123.08027	13.4
123.11710	9.2
125.05979	10.5
127.03899	41.4
127.07556	11.3
129.07011	3.4
131.08551	7.8
133.06512	3.9
133.10098	18.4
135.04416	3.6
135.08015	18.6
137.05948	11.6
139.07532	15.3
142.07756	3.3
143.07011	9.3
143.08531	8.4
145.10133	12.4
147.08026	5.7
147.11673	63.8
149.09648	2.7
149.13290	3.3
151.11162	5.4
153.09146	4.5
155.06963	3.4
155.08511	3.2
156.09344	2.9
157.08708	5.1
157.10112	17.5
159.08012	5.0
159.11673	4.0
161.09579	4.4
161.13242	10.6
163.07480	3.2
163.11134	3.7
165.12729	27.1
169.10138	2.4
169.12195	3.3
171.11635	14.9
173.09607	7.0
175.07518	3.2
175.11166	38.8
175.60988	2.2
181.10121	6.7
187.06004	7.4
187.11107	5.2
189.09100	2.8
189.12752	24.1
193.12219	38.3
199.11156	14.8
207.13763	21.4
209.11633	3.1
211.13255	29.1
217.12219	71.9
229.14259	2.8
233.11581	2.8
235.13261	69.1
243.10104	2.4
247.09459	2.5
251.12691	4.5
253.14322	37.5
255.13846	3.4
269.13562	2.7
271.15613	2.4
273.14734	2.9
301.14590	3.0
317.98898	2.5
319.15323	5.4
333.17007	2.7
337.16345	3.2
343.15298	4.3
361.16409	7.2
379.17725	14.6
397.18576	55.3
397.23581	2.9
398.18777	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.185
Annotation	Wallichoside (Pteris)
Peak:m/z	Relative Intensity
53.03931	13.1
55.01860	8.9
55.05502	11.4
57.03420	3.0
62.28169	1.7
67.05492	15.0
69.03420	26.9
69.07063	17.5
70.88838	6.2
71.04974	11.1
77.03959	2.0
79.05482	25.5
81.03408	56.2
81.06573	2.8
81.07046	49.3
82.07369	2.0
82.90982	1.9
83.04970	25.0
83.08599	3.5
85.02901	10.6
85.06529	9.7
91.05464	21.0
93.06458	3.7
93.07026	54.1
95.04954	19.0
95.08604	23.3
97.02866	7.8
97.06515	30.8
99.04442	19.6
101.05997	1.9
103.52317	1.9
105.07017	45.8
107.04914	7.0
107.08569	37.5
109.02861	100.0
109.06508	29.7
109.10139	8.8
111.04411	7.0
111.08047	16.2
113.05977	5.2
117.06987	5.3
119.04900	5.1
119.08569	29.2
121.05637	3.8
121.06483	50.6
121.10124	11.5
123.04383	5.5
123.08045	7.9
123.11691	10.3
125.02345	2.3
125.05975	13.3
127.03902	37.2
127.07514	11.0
128.06247	2.8
129.06956	7.0
131.05008	1.7
131.08531	11.0
133.02808	3.3
133.06467	5.0
133.10104	20.5
135.04356	4.9
135.08061	15.6
135.11655	4.7
137.05969	13.0
137.09639	2.1
139.07524	16.9
141.05475	2.4
141.06990	3.8
142.07780	5.3
143.06995	10.3
143.08504	9.4
145.04955	2.4
145.06458	3.2
145.10101	15.7
147.08006	8.2
147.11662	60.5
149.09624	5.4
149.13245	3.9
151.07439	2.9
151.11179	4.7
153.09074	3.7
155.08536	3.1
156.09315	2.8
157.08728	3.5
157.10091	16.3
159.08018	4.6
159.11653	5.7
161.05937	3.6
161.09573	12.1
161.13240	10.0
163.07571	4.2
163.11160	4.1
163.14790	2.2
165.12727	25.9
169.12227	5.0
171.11678	15.6
173.09576	6.6
173.13222	2.8
175.07581	4.0
175.11156	39.6
177.05577	2.4
179.06941	2.2
181.10101	3.0
187.05939	3.1
187.07471	3.8
187.11168	3.9
189.09061	4.3
189.12718	25.6
191.10600	3.5
193.10632	2.9
193.12236	33.9
199.11150	18.4
201.09064	3.3
205.12143	3.2
207.13795	15.4
209.11565	2.4
209.15352	2.3
211.13239	25.4
215.10716	4.2
217.12219	70.3
217.15840	6.8
218.12556	3.1
219.10251	2.8
229.14235	3.4
233.11705	3.6
235.13257	55.2
236.13724	2.2
245.09367	2.4
251.12799	4.6
253.14319	31.9
269.13632	2.7
273.11353	2.2
301.14276	3.0
309.16626	3.0
312.31769	2.1
315.15738	2.3
319.15384	3.3
321.11124	2.7
325.14224	3.8
335.12781	4.2
337.16370	5.0
343.15411	3.4
347.12875	3.0
353.13843	4.6
361.16373	8.5
363.81668	2.0
379.17819	15.1
397.18414	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
54.15182	0.5
55.01858	1.0
55.05486	1.5
56.71158	0.5
57.03432	0.7
61.02907	0.5
63.41119	0.4
65.29726	0.4
67.05482	1.7
69.03416	3.8
69.07046	0.8
69.42166	4.3
70.06567	0.5
70.72935	0.4
71.04980	35.8
71.65900	0.4
73.02892	0.9
79.05476	1.3
81.03408	3.8
81.07039	2.2
83.04959	0.6
83.08601	0.6
85.02888	5.0
85.06538	5.7
91.05445	1.1
93.07036	2.6
95.04948	2.2
95.08586	0.9
97.02867	4.3
97.06525	0.5
98.21475	0.8
99.04434	1.9
99.08062	0.9
105.07000	2.6
107.04864	0.6
107.08559	1.6
109.02859	4.3
109.06496	0.8
109.10144	1.3
111.08037	0.7
113.05984	5.9
117.09132	3.0
119.08551	1.2
121.02872	0.9
121.06465	1.4
123.08117	0.7
123.11723	0.5
124.03951	0.8
127.03902	5.1
127.06601	1.0
127.07528	17.8
129.05481	0.6
129.06979	0.5
129.09045	0.6
131.07014	9.6
131.08546	0.7
132.35426	0.5
133.10103	1.2
135.08020	0.6
135.11720	0.6
137.05978	4.5
137.09576	0.9
139.07573	0.5
143.08539	0.6
145.04965	2.7
145.08574	100.0
146.08913	1.9
147.04390	0.7
147.11684	1.3
149.05908	0.6
151.07512	0.7
155.06967	0.6
157.10092	0.6
159.11716	0.8
161.05962	1.0
171.11693	0.6
172.08910	0.5
173.08095	1.6
175.11168	0.8
183.11725	0.6
189.12769	0.6
191.09114	8.1
191.10779	0.7
193.12178	0.7
199.11217	0.5
201.09154	0.5
213.09167	0.6
215.10735	0.5
217.12247	1.1
217.15871	0.6
225.09196	0.4
231.08582	0.9
235.05754	0.5
235.13248	1.0
235.16824	0.9
236.09161	0.8
243.10283	0.6
253.14368	0.7
257.10193	1.2
273.11188	2.3
275.10800	0.5
275.13766	0.5
303.09958	0.5
317.12177	1.2
335.13193	1.7
351.12341	0.4
361.14914	0.6
379.15710	0.6
397.16394	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	396.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.3
57.07068	34.3
59.04993	1.3
67.05489	5.2
69.07055	4.7
71.08622	31.5
71.62882	1.8
73.06552	6.2
79.05491	1.4
81.07038	7.5
83.04958	0.9
83.08602	5.2
85.06539	1.3
85.10175	29.7
87.04457	2.5
89.06020	100.0
91.05475	2.1
93.07055	4.6
95.08588	8.8
97.10155	2.1
99.04430	1.4
99.11700	2.8
105.07004	4.3
107.07066	5.4
107.08598	5.6
109.06534	1.1
109.10139	4.6
117.09158	2.0
119.08564	5.1
121.06505	1.2
121.10123	4.6
130.08667	5.0
131.08522	1.3
133.08586	55.5
133.10162	3.2
135.11699	5.1
141.16374	3.9
145.10104	2.8
146.10466	1.0
147.11668	2.7
149.13231	1.7
151.09692	4.7
159.11670	4.1
160.11902	1.1
161.13245	2.8
162.19887	1.0
163.14853	1.2
173.13206	2.3
177.11197	14.7
180.99429	1.0
185.18932	4.3
187.14781	1.5
189.16379	2.8
195.12279	1.9
199.14877	1.6
201.16403	1.7
215.17903	1.5
216.17944	1.2
221.13834	2.3
226.21611	1.8
229.21603	10.9
239.14865	27.2
273.24292	4.5
335.28052	2.1
379.30475	56.4
380.30786	3.0
396.29346	2.6
396.33859	2.2
397.26813	2.1
397.31091	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	395.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.1
57.07066	6.5
57.32813	2.5
67.05488	8.6
68.20902	3.3
69.07060	13.2
71.08620	10.1
71.63538	3.4
73.82764	3.0
78.12425	2.8
79.05489	6.8
81.07047	28.3
83.08607	10.1
85.10174	5.4
91.05460	10.9
93.07024	11.4
95.08609	19.5
97.10149	6.7
102.18639	2.8
105.07059	13.3
107.08582	11.4
109.10095	13.2
111.11674	3.3
117.06975	5.0
119.08578	6.2
121.10135	7.4
123.11709	6.9
125.13368	2.8
131.08557	9.5
133.10098	21.6
135.11649	4.0
137.13248	4.4
145.10101	25.0
147.11679	12.7
149.13232	5.4
157.10147	6.2
159.11674	21.4
161.13258	5.7
173.13266	11.0
175.14839	5.0
199.14854	4.5
207.90720	3.3
213.16440	3.5
231.73268	3.2
241.19481	4.9
255.21025	3.9
276.68787	3.0
395.36716	100.0
396.37128	6.2
396.41742	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	396.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
57.03425	2.3
61.02918	2.3
69.03420	18.9
71.04965	1.6
71.61496	1.9
73.02891	1.6
74.06054	4.4
75.65113	1.1
80.73029	1.1
81.03410	22.3
84.41396	1.1
85.02895	29.0
86.09660	2.5
87.04426	1.5
94.25755	1.1
94.58045	1.2
95.01318	40.5
95.04940	1.2
96.01605	1.3
96.42824	1.2
97.02882	14.6
99.04435	5.2
100.07597	1.8
107.08575	1.3
109.02860	19.4
113.02354	100.0
114.02724	2.1
116.07079	2.4
120.22858	1.4
125.02274	1.4
127.03906	19.6
135.67870	1.2
137.05859	1.6
144.06532	2.0
145.04927	1.6
163.03886	1.9
166.56152	1.3
176.07039	1.7
185.04561	1.6
199.09596	1.9
204.06505	2.4
215.33339	1.2
221.04433	3.6
222.07643	1.4
234.07613	1.6
239.05469	32.0
256.59644	1.3
257.06534	31.2
340.81067	1.3
396.12762	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.05502	11.8
57.07071	8.9
65.03929	1.5
67.05494	24.6
69.07057	24.3
69.78501	8.5
71.04994	3.2
71.08630	3.2
79.05478	15.4
81.07048	67.9
82.07373	1.5
83.08608	12.0
85.06528	11.1
91.05463	22.6
93.07030	41.2
95.04955	3.2
95.08595	100.0
96.08949	1.7
97.10143	7.8
99.08102	1.7
99.35871	1.4
105.06351	0.9
105.07014	38.0
107.08578	48.9
109.06535	2.7
109.10142	49.7
111.11749	3.6
117.07017	7.8
119.08568	34.9
121.10128	48.5
123.08105	2.9
123.11692	22.4
123.12537	1.6
128.06209	2.2
129.07028	3.6
130.07735	1.6
131.08546	20.3
133.10112	35.0
133.11050	2.0
135.11668	43.9
136.12059	1.5
137.09648	1.5
137.13232	30.2
137.14194	2.7
138.13586	1.4
143.08531	12.3
145.10097	31.0
147.11664	32.4
147.12746	2.1
149.09729	1.4
149.13235	40.6
149.14304	2.4
151.14798	3.3
155.08574	2.8
156.09361	2.2
157.10085	12.7
159.11661	27.1
159.12802	2.1
161.13235	22.2
161.14383	1.5
163.11166	4.1
163.14784	14.3
165.12820	2.5
169.10178	4.8
171.11658	9.9
173.09677	2.5
173.13210	13.8
174.10069	1.8
175.11177	2.6
175.14792	9.1
177.12708	12.4
177.16458	6.2
179.14468	1.9
179.17929	1.6
183.11781	6.1
185.13242	17.3
187.11183	1.5
187.14790	21.4
189.12688	7.2
189.16370	9.4
191.14380	5.9
191.17935	27.6
191.19563	2.2
197.13358	4.7
199.14828	7.8
200.49490	1.3
201.16382	7.2
203.14308	22.3
203.17926	13.2
205.15965	9.0
205.19475	39.7
206.19814	2.1
211.14867	3.2
213.16457	4.6
215.14227	6.4
215.18065	5.1
217.15997	4.7
217.19449	10.2
218.19962	1.4
225.16469	4.4
226.16927	1.5
227.17981	7.8
229.15958	1.6
229.19632	2.6
231.17622	1.4
231.21291	2.3
239.18028	5.3
241.19589	3.0
243.17593	5.9
245.19092	4.7
253.19560	3.0
255.21144	4.1
257.19025	6.4
257.22754	1.8
266.19962	1.4
267.21066	2.3
271.20755	3.2
271.24155	3.1
281.22845	1.7
293.22903	1.5
297.22241	1.7
325.25546	1.8
377.31918	15.9
378.32626	1.7
395.29333	6.5
395.33334	47.0
396.33759	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	395.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01853	3.7
55.05501	14.4
57.03421	5.6
57.07062	3.2
67.05495	16.0
69.03426	6.7
69.07054	27.7
70.02335	2.2
70.02752	5.4
71.04982	9.8
73.06540	2.8
79.05477	13.2
81.03400	4.1
81.07042	100.0
82.07368	1.2
83.04956	6.4
83.08605	10.4
85.02870	3.3
85.06528	52.7
91.05466	15.1
93.07028	78.3
95.04932	12.5
95.08592	36.7
97.02876	2.3
97.06517	13.9
97.10138	3.6
99.04431	2.3
99.08077	28.8
101.05960	3.3
105.07008	16.0
107.04958	2.7
107.08575	22.1
109.02857	4.4
109.06486	8.5
109.10141	32.3
111.08065	33.5
111.11639	2.2
113.05988	4.2
113.09623	3.0
115.07562	3.5
119.08556	11.4
121.06499	3.1
121.10128	26.9
122.10455	1.5
123.08039	4.0
123.11693	35.6
125.05946	1.4
125.09595	4.7
127.03907	3.3
127.07555	8.4
127.11157	4.0
129.09097	36.7
131.08556	4.3
133.10098	10.2
135.11656	9.3
137.09590	4.9
137.13234	7.9
139.11160	15.8
141.12686	1.8
145.10083	10.2
145.76173	1.3
147.08075	1.8
147.11676	11.0
149.09616	3.4
149.13248	8.0
151.11133	7.2
153.12714	5.2
155.10577	2.0
157.10149	2.6
157.12224	5.4
159.11678	5.7
161.13179	6.7
163.07555	1.5
163.11159	7.5
163.14772	1.4
165.12744	16.8
167.07002	4.1
167.10634	2.8
169.12199	6.3
171.13792	1.5
173.09602	2.4
173.13245	4.2
175.14778	3.0
177.16336	4.4
179.14238	2.9
181.12207	5.8
183.13747	3.6
185.11694	3.2
187.14798	3.2
191.17899	1.6
195.17395	13.9
196.17757	1.5
199.14920	1.8
201.14754	2.1
201.16394	2.9
203.17862	1.4
205.12193	1.9
205.15829	4.8
213.16345	3.1
213.18346	3.3
215.14268	4.0
217.19565	1.8
219.17432	4.3
223.16884	24.6
224.17117	2.1
231.17479	2.0
233.11653	3.1
235.16838	1.7
237.18428	12.9
241.17809	2.3
249.18443	13.8
255.19600	4.8
267.19540	20.1
269.22745	1.7
275.23544	2.4
285.20514	21.8
287.23639	6.8
293.24756	3.4
305.24655	17.4
311.25488	2.0
323.25757	14.3
341.26706	5.7
353.56006	1.5
359.28104	2.4
377.29001	3.1
395.14249	3.9
395.21130	2.2
395.29938	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.5
55.45445	0.7
57.07061	1.0
65.03926	0.8
67.05492	4.8
69.07057	5.7
69.51414	6.8
70.01556	0.8
74.29477	0.8
79.05466	6.2
81.03400	1.1
81.07048	17.4
83.08596	2.2
91.05470	10.5
93.07030	13.1
95.04972	1.5
95.08597	14.4
97.10161	1.1
98.21467	1.7
99.04435	0.8
103.05485	0.9
105.07018	88.0
106.07348	1.4
107.08580	15.6
109.10137	7.6
111.08044	1.1
117.06993	8.4
119.08569	54.6
120.08885	1.6
121.10127	6.9
123.08025	0.8
123.11694	1.2
129.07004	3.3
131.08551	14.0
133.10120	14.5
134.10457	1.1
135.08093	1.1
135.11665	5.8
139.07510	1.1
142.07776	0.9
143.08545	2.3
144.09325	8.0
145.10127	10.0
147.07936	0.8
147.11668	13.6
148.12033	1.3
149.13231	10.9
150.13698	0.8
151.07445	0.8
153.09126	2.0
157.10097	5.0
159.11670	74.5
160.12004	2.4
161.13235	100.0
162.13557	4.4
163.07555	1.0
163.11185	1.1
163.14832	4.5
167.10652	1.4
169.10159	1.1
171.11705	2.4
173.09560	0.8
173.13242	10.2
175.14795	7.8
177.16367	4.1
182.01860	0.7
183.11635	1.9
185.13271	3.7
187.14806	6.2
189.16353	19.8
190.16672	1.3
191.17993	1.1
197.13197	1.5
199.14796	3.7
201.16374	9.3
203.17920	15.8
204.18213	0.8
207.17480	1.1
209.13354	1.0
211.14809	1.2
213.16420	1.4
227.18001	1.1
231.17345	1.1
235.16924	2.1
247.16968	1.2
249.18497	5.6
253.19543	1.5
349.28824	10.9
377.24982	1.1
395.29410	31.7
396.29590	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	395.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	0.6
69.03414	0.8
70.89824	0.8
70.90232	0.7
71.04982	0.9
73.02135	0.3
79.05470	0.7
81.03378	0.6
81.89009	0.4
83.04982	0.4
85.02886	1.1
89.06014	0.7
97.02854	0.5
99.04469	0.5
111.64757	0.4
113.02356	0.4
115.02769	0.4
117.05472	1.2
127.03876	0.9
129.05527	0.4
145.04967	0.6
185.07353	0.5
185.10661	0.4
189.10223	0.3
191.08237	0.4
198.07762	0.7
199.08571	1.8
200.09422	1.3
201.10214	0.6
211.08731	2.0
212.09486	1.2
213.10222	5.2
214.11008	1.0
215.11771	8.2
217.09741	1.5
223.12172	0.7
225.10144	3.4
226.10999	1.2
227.08083	0.9
227.11821	0.9
228.12607	0.8
229.09692	1.3
231.11288	1.0
239.08168	3.8
239.11748	2.3
240.08870	1.4
241.09671	3.0
241.13388	2.9
242.10457	4.8
243.07635	0.8
243.11259	7.7
245.09210	1.0
251.11649	0.5
253.09727	5.7
254.10413	0.7
255.11259	0.6
256.11957	0.7
257.06720	0.6
257.09195	3.6
257.12778	1.4
258.09848	0.4
259.10767	3.5
263.10193	3.0
267.07990	0.5
267.11237	2.7
268.08353	2.1
269.10028	0.6
269.12775	4.3
271.10733	24.2
272.11227	1.1
275.10144	2.6
282.09982	0.4
285.08936	0.5
285.12274	4.7
286.06235	1.2
286.09238	0.7
287.13828	1.9
295.10678	2.2
297.12338	5.6
300.11194	0.7
303.09729	1.5
303.13388	1.6
304.10519	0.8
313.11804	7.2
315.13330	6.3
321.10834	2.5
323.10162	2.2
331.12799	2.8
332.06735	0.8
333.14310	2.4
341.11298	7.3
349.13971	1.3
359.12320	13.5
360.12711	0.6
377.09286	0.7
377.13379	17.6
395.14432	100.0
396.14581	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	395.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	6.1
56.96554	6.3
57.03432	9.4
58.99842	2.2
60.64624	1.5
61.02909	4.2
69.03423	28.5
70.06568	2.7
71.01353	1.9
71.04981	1.8
71.36304	3.1
73.02914	12.3
77.00882	2.0
81.03399	5.0
82.99867	1.9
83.04955	1.9
85.02898	42.2
86.03192	3.2
87.04466	3.3
91.05477	1.8
97.02892	23.3
98.97581	8.6
99.04451	4.4
101.00869	17.2
103.00608	1.5
103.02446	5.5
103.03876	1.9
109.02884	2.9
113.00875	6.5
115.02384	1.9
115.03925	5.0
116.98647	3.2
117.03978	2.9
119.01913	55.4
120.02000	2.4
121.01604	1.5
121.03494	3.2
125.94287	1.7
127.02406	5.5
127.03899	20.9
128.98616	2.5
129.03944	2.1
129.05466	2.0
131.01897	37.2
133.01707	2.0
133.03471	6.8
133.04964	4.3
134.99617	1.8
135.05031	3.8
137.02911	8.1
137.06009	1.7
141.03931	2.6
142.03543	2.2
143.00143	4.7
143.01901	17.1
145.01704	2.0
145.03455	49.9
145.04942	9.8
147.01335	3.7
147.05048	5.4
149.02919	8.0
153.01823	14.1
155.01869	12.1
155.21837	1.4
157.01593	1.7
157.03410	7.6
158.99641	2.1
159.05020	20.0
161.01190	4.3
161.02956	23.1
163.03209	1.6
163.04541	14.3
166.07202	2.0
167.01929	1.8
167.05550	7.0
167.06882	1.9
169.03456	32.2
171.01381	4.7
171.03610	2.5
171.05022	21.1
173.02937	23.3
173.04362	2.8
173.06599	3.0
175.04517	5.2
177.00748	2.6
177.02499	2.2
177.06084	4.3
181.03394	8.5
183.04953	3.9
185.02960	13.5
187.00877	3.6
187.04514	71.2
188.04617	4.0
189.00858	2.8
189.02452	12.0
189.04181	3.5
189.06055	10.4
191.04001	3.3
191.07672	1.6
193.00171	2.7
195.01257	2.0
195.05119	1.8
197.02965	2.7
197.08131	1.8
198.08633	1.6
199.00926	6.3
199.04489	21.1
201.02463	4.9
201.06100	4.9
203.03989	14.7
203.07712	1.6
205.05493	2.4
207.03485	5.0
207.07060	1.8
210.06129	2.2
211.00987	1.7
213.02429	9.8
213.05971	3.3
213.10201	2.0
215.04012	4.7
215.07608	1.9
215.11818	4.3
217.01884	5.3
217.05594	4.1
219.01729	3.6
221.03233	4.2
221.05090	12.9
222.05562	1.6
223.04666	3.1
223.56520	2.6
223.59569	2.1
224.07088	100.0
224.57181	19.9
225.02463	4.7
231.03490	22.8
231.07243	4.4
233.05003	3.3
233.07387	1.6
233.74101	1.7
237.02716	2.9
237.06108	2.7
239.04185	9.8
239.07811	5.2
239.11525	1.6
241.01891	1.7
242.99809	3.2
243.03546	6.6
243.07115	2.6
243.11206	3.3
244.58392	4.9
245.04991	7.3
245.09000	2.5
247.06621	4.2
248.08244	1.9
257.01468	4.3
257.05267	2.7
257.08960	2.1
259.03003	4.7
259.06613	1.8
261.04495	2.3
261.08289	2.8
263.06180	1.9
265.07587	2.8
267.07468	4.4
271.10757	10.5
273.04700	1.7
273.08121	2.2
275.02478	62.1
275.06039	13.2
276.02798	2.8
277.04086	4.6
279.09262	3.2
281.05344	1.8
285.08145	27.0
286.08542	4.5
287.02478	44.1
287.05579	1.5
289.07669	4.1
293.03552	21.6
293.06723	3.0
303.01993	11.1
305.03516	16.0
307.07101	2.2
313.11761	4.0
314.10175	2.9
315.09195	10.6
315.13065	2.9
316.05585	1.5
316.09375	1.8
317.03302	2.8
331.12894	1.6
333.10309	11.3
335.04514	5.7
335.08377	5.3
335.11731	4.4
341.11237	2.1
359.04572	4.6
359.12225	5.2
377.05515	10.5
377.13312	6.1
395.05667	10.7
395.10339	4.7
395.14627	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	394.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.6
54.47440	1.0
55.01855	3.9
55.05506	11.4
56.15184	1.1
57.03426	5.6
57.07058	1.7
58.88924	1.0
59.62545	1.1
59.71117	1.0
60.01862	1.0
61.02917	2.3
63.74681	1.2
67.05492	15.3
69.03423	13.1
69.07057	14.8
69.92252	1.0
70.06573	1.3
71.04981	5.6
71.62500	1.7
73.02907	2.5
79.05488	16.0
81.03409	10.0
81.07047	47.5
83.04972	9.2
83.08605	11.2
84.96307	1.1
85.02419	2.0
85.02894	25.8
85.06549	7.7
87.04459	1.4
91.05459	15.8
93.07030	21.8
95.04973	7.4
95.08593	56.6
96.08942	1.5
97.02896	10.4
97.06525	13.7
97.10159	6.8
99.04435	7.0
99.08075	8.7
101.02295	1.3
101.06017	1.2
105.07018	34.7
107.04929	4.5
107.08575	17.1
109.02856	8.0
109.06502	7.8
109.10148	5.3
111.04420	1.2
111.08069	2.7
113.09615	3.9
115.07565	1.7
117.06987	4.8
119.04887	1.4
119.08568	33.4
121.06513	6.0
121.10119	14.3
123.04409	1.7
123.08032	6.1
125.05997	2.5
125.09677	1.6
127.03910	12.3
127.07526	4.0
128.06143	1.3
129.07057	2.4
130.07779	2.0
131.08546	9.3
133.06451	4.2
133.10109	21.5
135.08022	2.2
135.11662	16.7
137.05930	4.7
137.09595	3.7
137.13208	14.0
139.07515	1.4
141.09077	2.7
143.08531	3.8
144.09306	1.7
145.04976	3.5
145.06520	2.4
145.10104	24.1
147.08026	1.9
147.11638	2.6
149.09622	1.6
151.07527	1.9
151.14764	1.6
153.05484	1.3
157.10078	2.6
158.07236	1.6
159.08043	3.8
159.11687	10.1
161.05962	1.2
161.09579	2.3
161.13235	69.1
162.13618	2.5
163.07475	1.4
163.09821	2.0
163.11157	26.6
167.07005	7.9
169.09973	2.5
171.08061	1.7
173.09581	10.7
175.11191	1.2
177.12640	1.3
179.14290	100.0
180.14619	3.5
181.12265	1.4
185.09473	1.2
187.11179	16.9
189.12766	1.6
191.10692	8.6
197.09621	2.5
197.15347	55.6
198.15793	1.4
205.12296	8.3
209.11562	1.5
215.10634	13.5
215.14368	2.0
215.16327	12.3
233.11682	9.5
251.12746	3.5
275.12561	1.5
278.21451	1.2
321.51147	1.1
331.15201	1.3
335.14737	1.4
349.16483	1.1
359.14899	1.2
377.15894	5.0
394.19397	3.2
394.26370	1.4
394.31281	2.5
395.16739	12.3
395.21460	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97234	1.0
55.01839	1.6
55.33572	1.1
66.04479	1.2
67.87013	1.1
68.74442	1.0
69.03411	5.4
69.62843	2.0
69.63244	8.8
78.46659	1.0
79.05487	2.8
81.03408	2.6
83.82663	1.1
84.53699	1.1
85.02898	15.0
91.05469	15.3
97.02869	4.0
99.04406	1.4
107.04922	6.6
107.14882	1.1
109.02901	1.4
119.04932	44.0
121.06483	4.9
127.03912	5.4
135.04404	12.5
137.05966	36.7
145.04953	3.5
147.04396	81.9
148.04762	3.9
149.06012	7.8
151.07527	7.1
153.01747	1.3
163.07568	1.9
167.07013	21.5
173.75388	1.1
175.07489	1.4
177.05460	3.1
179.07016	100.0
180.07448	2.2
191.07027	3.5
197.08029	6.0
229.08499	1.5
245.69791	1.2
311.11374	6.1
323.11273	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58207	0.4
52.44317	0.5
53.03942	0.8
55.05525	0.5
69.03426	3.1
70.53758	1.0
70.54147	0.9
71.04980	0.7
79.01835	1.4
81.02975	0.6
81.03410	9.2
82.13396	0.5
82.78968	0.4
83.04947	0.5
85.02894	5.7
86.06033	0.4
95.04914	0.5
97.02886	6.0
99.04454	1.4
107.01283	1.2
107.08547	0.4
109.02876	6.0
110.33311	0.4
113.01664	0.4
113.06030	0.5
124.50798	0.4
125.02320	2.9
127.03912	8.2
129.05562	0.3
141.05490	0.7
143.03362	3.6
145.04944	1.5
151.07487	0.6
153.01814	100.0
154.02147	2.0
157.07359	0.4
161.05896	0.4
163.03824	0.5
171.02873	15.8
183.06378	0.4
215.09155	0.5
279.04883	0.5
297.06024	12.4
297.09396	0.7
298.06311	0.5
315.07062	24.0
316.07257	0.5
394.34808	0.5
395.13681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.8
56.96556	4.1
57.03408	2.5
61.02915	5.5
62.06059	1.1
62.56625	1.1
69.03425	9.5
70.51542	1.3
70.84312	3.5
70.84673	1.1
73.02892	2.9
74.06065	1.1
79.05459	2.8
81.03417	5.5
83.47124	1.2
85.02894	25.4
87.04472	1.5
91.03949	1.6
91.05453	12.2
95.04980	1.9
97.02890	9.8
98.97581	9.6
99.04446	2.2
107.04948	7.7
109.02856	2.7
110.97591	1.1
114.05539	2.0
116.98615	7.8
119.01895	2.5
119.04927	44.0
120.05351	1.2
121.06495	3.9
123.04384	1.7
125.02326	1.3
127.03920	6.5
128.98561	3.7
134.99599	1.9
135.04401	12.4
137.05959	53.1
137.77806	1.0
139.03880	1.4
143.00200	1.7
145.01677	1.6
145.03395	1.7
145.04924	5.7
146.99637	2.2
147.04388	78.1
148.04770	2.7
149.05931	9.8
151.07504	8.2
153.01805	11.4
153.05515	2.1
155.02036	1.5
158.99619	1.7
161.01250	3.1
161.02882	1.7
161.79077	1.1
163.03874	1.5
163.07550	1.4
165.05452	2.4
166.07253	3.7
167.07045	21.2
177.00673	3.9
177.05493	3.7
179.07013	100.0
180.07405	2.4
185.01340	1.4
187.02620	1.5
187.04462	2.3
189.00633	1.3
191.07185	1.6
197.08072	12.2
215.07043	1.4
219.01724	3.8
223.05286	1.2
232.06059	1.9
237.02826	5.8
263.58130	1.4
275.02371	1.5
275.09018	1.3
289.07523	2.8
293.10342	2.6
295.07327	2.5
304.08029	4.9
307.07074	1.5
309.08627	2.9
311.11194	6.0
313.08994	1.5
335.06552	1.6
335.10156	2.8
353.07336	2.8
364.57410	1.1
395.12631	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.05504	7.5
57.07062	6.4
58.69822	1.2
65.03936	1.7
67.05497	18.5
68.37282	1.0
69.07056	14.8
69.30554	3.9
69.30972	9.0
74.31479	1.1
75.22046	1.1
79.05485	8.8
81.07042	61.7
83.08604	8.1
91.05465	7.8
93.07028	20.7
95.08593	84.0
96.08897	1.6
97.10135	4.6
105.07014	25.8
107.08572	26.5
109.10144	33.1
110.10480	1.1
111.11694	2.0
117.06983	3.0
119.08561	21.6
121.10125	25.0
121.41200	1.1
123.11690	16.4
129.07034	1.3
130.07762	1.4
131.08528	14.2
132.31673	1.3
133.10114	15.9
135.11662	17.9
137.13242	35.4
138.13596	1.4
143.08565	5.0
145.10095	18.2
147.11661	17.8
149.13231	20.2
151.14767	2.4
157.10130	4.8
159.11691	14.5
161.13223	11.7
163.14804	9.7
165.16336	1.5
171.11629	5.9
173.13226	11.7
175.14781	18.1
177.16371	11.1
179.17883	2.6
185.13335	5.3
187.14778	19.2
189.16333	14.7
189.17885	1.5
191.17950	7.3
193.19543	1.4
199.14737	5.9
201.16316	15.9
203.17931	14.0
205.19469	3.6
213.16379	8.9
215.17943	17.3
217.19481	6.6
227.17952	4.8
229.19519	5.6
231.21042	4.4
241.19461	9.5
243.21063	14.1
244.21442	1.5
245.22670	2.0
253.19543	1.1
255.21057	12.6
256.21390	1.1
257.22580	4.5
267.21112	1.2
269.22617	7.2
271.24249	1.9
283.24084	1.3
295.24258	2.1
297.25610	1.3
309.25763	2.3
337.29031	1.4
351.30508	1.8
393.35092	100.0
394.35480	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	393.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.7
53.60778	0.5
55.01863	9.2
55.05504	3.4
57.03427	5.7
57.07067	21.1
63.04426	0.4
66.18999	0.4
67.05511	0.6
68.74381	0.4
69.07056	5.1
69.93729	1.9
71.08620	17.7
81.03408	11.9
81.07040	1.5
82.28210	0.4
83.08607	3.0
85.10165	11.3
85.32705	0.5
89.15290	0.4
95.04964	1.1
95.08575	1.8
97.02861	0.7
97.10156	2.3
97.30353	0.5
99.00804	0.4
99.04426	1.3
99.11694	1.2
109.02863	28.9
109.10172	1.0
110.03221	0.5
111.11713	0.6
113.05992	0.9
113.13241	0.8
115.03909	8.3
121.10115	0.6
123.04399	2.2
123.11665	0.7
125.09619	0.4
127.03893	100.0
127.14806	0.7
128.04224	1.2
131.10965	0.5
137.09651	0.5
141.05443	4.3
141.16402	0.4
145.04948	1.3
151.11215	0.6
155.06976	2.5
162.15947	0.5
168.06516	0.9
169.08562	5.5
179.14351	0.5
183.10138	7.4
197.11710	5.6
211.13249	6.2
225.14832	5.3
239.16386	8.6
253.17924	9.1
267.19510	8.8
281.21054	7.9
295.22659	6.0
309.24136	5.2
323.25714	6.1
337.27304	5.9
393.33588	34.9
394.34006	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	393.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35926	0.6
55.05502	5.1
57.03430	1.0
57.07055	1.8
67.05164	0.8
67.05495	11.2
69.07058	9.6
71.04987	0.6
71.62807	0.9
77.03891	0.6
79.05484	7.7
81.03411	0.7
81.07045	21.1
82.07407	0.8
83.04967	0.8
83.08598	2.5
85.06511	1.3
91.05475	8.2
91.18955	0.6
93.07029	19.1
93.07621	1.2
94.07378	0.6
95.04963	1.8
95.08595	27.3
96.08926	1.4
97.06526	1.0
97.10173	1.5
99.08081	2.6
103.05478	0.7
105.06284	0.9
105.07013	17.6
105.07656	0.6
105.08508	0.6
106.07368	1.3
107.08579	25.5
108.08928	0.9
109.02876	0.8
109.06507	1.9
109.10139	20.2
110.10480	1.4
111.08082	2.9
115.05477	0.6
117.07019	4.7
119.08564	25.9
120.08904	1.6
121.06474	5.7
121.10123	21.2
122.10523	0.7
123.08045	3.2
123.11694	4.9
125.09648	1.5
128.06212	1.1
129.06998	4.8
130.07718	0.8
131.08551	20.5
133.10110	14.9
135.08046	5.5
135.11667	8.7
137.09602	9.8
137.13254	2.2
141.06995	2.1
142.07820	1.5
143.08548	12.8
144.09305	1.6
145.10098	28.2
146.10472	1.3
147.07999	6.8
147.09056	0.6
147.11664	10.3
149.09615	2.0
149.13237	21.2
150.13541	1.3
151.11215	1.7
155.08533	3.4
156.09184	1.0
157.10127	11.5
158.10854	1.8
159.08052	1.6
159.11670	16.6
160.12166	0.8
161.09610	10.1
161.13228	7.7
163.11119	1.1
163.14784	13.8
163.16060	0.8
167.08676	0.6
169.10086	4.1
170.10861	1.9
171.11674	7.8
172.12411	1.4
173.09595	2.0
173.13243	18.1
174.13635	0.6
175.11121	2.3
175.14819	11.1
177.12714	4.4
177.16379	7.1
181.10095	1.0
183.11661	3.8
184.12064	0.7
185.13223	8.0
186.13725	1.4
187.11206	1.8
187.14796	38.7
188.15149	2.8
189.12755	6.6
189.16348	6.3
190.13101	0.8
191.14339	1.7
191.17915	1.8
193.10098	0.7
193.15897	1.5
195.11662	1.4
197.13176	3.4
198.13914	0.7
199.14806	15.7
199.16574	1.2
200.15215	1.1
201.12769	2.3
201.16393	12.8
202.16631	1.2
203.14319	9.2
203.17938	6.7
205.15884	1.1
205.19565	0.6
207.11548	0.7
209.13283	1.6
211.14746	3.3
213.16359	26.7
214.17033	3.0
215.14502	5.2
215.17915	23.7
216.18298	1.1
217.15833	2.5
217.19545	0.8
218.16312	0.7
219.17503	3.0
219.61647	0.6
221.13361	0.8
223.14825	2.1
225.16306	5.7
227.17902	5.8
228.18457	0.8
229.15894	3.0
229.19435	1.5
231.17482	1.2
235.14824	1.0
237.16368	2.3
239.17870	3.3
240.18381	0.7
241.15814	0.8
241.19464	6.3
242.19867	0.8
243.17409	3.9
243.21051	3.9
251.17946	2.0
252.18802	1.1
253.19545	3.6
255.17509	1.9
255.21043	6.8
256.21490	0.8
257.18762	0.8
257.22736	1.0
263.17953	1.6
265.19495	2.1
267.21045	11.6
269.18863	1.6
279.20993	1.5
281.22641	1.4
291.21240	1.1
297.22217	1.0
305.22595	1.9
319.24203	1.3
323.23669	1.3
333.26016	0.8
337.25195	1.3
347.27472	1.6
365.32089	1.3
375.26169	0.5
375.30383	14.3
393.31470	100.0
394.27585	0.9
394.31839	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	393.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	1.3
53.03930	3.1
54.79192	1.2
55.01854	2.7
55.05501	12.0
57.03434	1.8
57.07066	3.4
59.04983	4.0
65.03957	1.9
67.05127	1.4
67.05492	28.3
69.03410	10.3
69.07055	35.0
71.04978	10.3
71.61343	2.0
73.02905	3.6
78.98805	1.2
79.05483	18.4
81.03402	6.0
81.07044	63.0
81.15799	1.4
82.15984	1.3
83.04970	11.3
83.08606	8.0
85.02882	4.0
85.06522	8.1
86.09689	1.5
91.05466	13.3
93.07029	52.4
95.04963	17.5
95.08594	42.4
95.26068	1.4
97.02859	2.6
97.06522	23.6
97.10173	5.0
99.04461	7.3
99.08080	23.6
103.05445	2.4
105.07011	25.0
107.04959	3.2
107.08575	49.6
109.02866	2.9
109.06494	10.4
109.10139	100.0
110.10519	1.4
111.04404	2.7
111.08051	5.1
111.11704	2.6
113.06021	2.7
113.09602	1.9
115.05432	1.7
115.07522	2.8
117.07010	5.9
119.08553	23.8
121.02864	1.4
121.06499	2.3
121.10120	27.8
123.08092	7.5
123.11687	13.3
125.05942	10.7
125.09632	4.2
125.13289	1.7
127.03889	3.8
127.07535	3.2
127.11096	2.8
128.06158	1.3
129.06934	2.0
131.04921	2.9
131.08560	7.6
133.06456	1.9
133.10112	19.0
135.04407	2.4
135.08012	10.5
135.11664	19.8
137.05959	6.9
137.09579	8.1
137.13312	3.0
139.11154	7.7
143.07028	3.5
143.08554	4.5
145.04971	2.2
145.10101	8.0
147.08092	1.7
147.11670	6.4
149.09592	4.1
149.13239	20.8
151.03856	10.4
151.11185	7.6
153.05470	1.7
153.09102	3.6
153.12721	24.5
155.10666	4.0
157.10103	3.4
159.11661	9.2
161.09599	5.9
161.13252	2.8
163.07472	1.5
163.11148	3.1
165.12689	2.4
167.07057	2.7
167.10638	4.2
167.14326	2.9
169.10129	1.6
169.12189	3.5
171.10245	2.2
171.11546	2.6
171.13779	11.1
173.13251	3.2
175.07376	1.8
175.14812	2.1
177.12781	3.2
177.16344	25.1
179.07008	1.5
179.10660	13.3
181.04956	3.1
181.12111	1.6
183.17390	1.5
185.13196	2.6
187.14795	3.0
189.16296	2.7
195.13826	1.7
195.17429	13.6
197.08066	7.2
197.11649	7.9
199.14810	2.7
201.16342	3.3
205.15884	4.7
211.14827	1.9
213.12868	1.3
213.18446	5.3
215.17824	1.5
216.08783	6.2
217.15799	2.1
220.50046	1.5
223.16972	4.3
227.17822	1.5
229.15846	2.6
231.13702	7.2
231.19507	9.2
239.16359	1.7
240.08800	2.4
247.16791	2.6
265.17603	1.4
267.21149	2.6
285.21863	7.2
291.23193	2.9
300.10800	1.9
303.23129	10.6
321.24194	42.0
339.25140	6.7
374.92023	1.6
375.27078	1.5
387.48840	1.4
393.15079	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	3.6
55.01854	3.9
55.05502	13.8
57.03430	26.7
57.07053	2.9
59.04979	6.0
61.02914	3.2
65.03926	3.0
66.91335	1.5
67.05492	15.6
68.02565	1.5
69.03084	1.5
69.03417	24.3
69.04969	1.3
69.07056	20.5
70.79464	2.8
70.79841	2.9
71.01324	2.8
71.04987	12.1
73.02907	15.1
73.06525	6.7
75.04446	2.1
79.05478	14.2
81.03409	10.3
81.06580	2.1
81.07045	42.6
83.04967	17.0
83.08588	2.7
85.02869	4.1
85.06073	1.6
85.06521	9.4
87.04436	2.6
89.05991	1.5
91.04933	1.8
91.05456	12.8
93.07026	30.4
95.04959	17.5
95.08588	25.5
97.02873	2.7
97.06509	19.5
97.10124	2.8
98.20779	1.4
99.04430	12.9
99.08070	10.2
101.06009	17.9
103.05436	2.4
105.07014	18.3
107.04913	4.0
107.08578	25.8
109.02849	3.6
109.06496	7.9
109.09447	2.4
109.10140	33.6
109.10892	1.9
111.04405	2.3
111.08046	9.2
111.11741	1.7
113.05964	3.5
115.07565	3.0
117.05478	4.2
117.06997	4.5
119.04929	3.0
119.08571	12.8
121.06476	5.7
121.10136	19.6
123.08018	6.9
123.11687	10.6
125.05970	22.1
125.09611	6.3
127.03898	6.8
127.07522	4.0
129.05388	1.4
130.04166	1.5
131.04880	5.2
131.07016	27.8
131.08504	8.4
133.10103	16.7
135.04384	5.1
135.08017	5.8
135.11670	10.7
136.27853	1.5
137.05943	11.6
137.09599	3.9
137.13193	1.5
139.07515	1.8
139.11160	24.2
141.05466	3.1
141.09058	1.5
143.06998	4.8
143.08560	3.1
145.10092	8.8
147.04434	2.6
147.11673	4.8
149.05989	3.3
149.09592	4.4
149.13245	7.2
151.03880	45.3
151.04961	2.9
151.11130	4.3
152.04202	1.6
153.05403	2.6
153.09041	3.1
153.12718	6.5
155.10622	2.9
157.10083	4.0
159.06445	1.4
159.11707	7.9
161.05931	3.1
161.07126	3.6
161.09550	2.4
161.13237	5.3
162.06734	1.9
163.07512	4.2
163.11108	3.2
165.05305	1.4
165.12758	2.4
167.07037	7.8
167.10666	13.1
169.10037	3.2
169.12212	3.0
170.10655	1.7
171.11636	3.0
171.13811	3.1
173.09567	1.7
173.13281	3.9
173.73405	1.4
175.11121	2.6
175.14798	2.5
177.12700	2.0
177.16357	5.4
179.06999	13.7
179.10583	3.6
181.05003	1.7
183.11746	2.5
185.11676	2.5
185.13254	3.5
187.14769	4.5
188.08136	19.0
193.67065	1.7
195.13728	2.6
195.17534	2.6
197.08078	29.4
197.11673	2.2
199.14784	1.7
199.51781	1.5
200.86359	1.6
201.16374	3.3
203.14235	3.3
211.14868	3.7
213.18466	1.9
214.06067	5.7
216.07712	3.5
223.22025	1.4
224.58070	1.4
229.15843	5.6
231.19455	1.9
232.07161	8.6
233.07474	1.6
234.08670	2.4
235.16763	2.3
236.55756	1.4
241.08723	2.1
247.16859	11.6
253.08569	1.7
253.17932	2.6
259.08221	50.7
259.11075	2.4
260.08624	3.0
265.17929	35.8
266.18283	1.5
267.21063	2.0
283.19031	9.9
285.21979	4.1
303.23096	6.0
321.24149	14.5
339.25385	3.2
343.12045	1.9
375.12997	3.3
393.13965	100.0
394.14438	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	393.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.4
55.05502	25.9
57.07073	34.8
65.03918	4.3
66.25352	3.9
67.05489	43.4
69.03442	3.3
69.07060	26.6
71.04998	6.4
71.08619	22.1
71.62868	4.3
71.63292	4.9
74.09718	4.3
79.05478	35.5
81.07048	68.9
83.04958	4.6
83.08605	24.2
85.06535	4.7
85.10194	8.1
91.05473	50.3
93.07031	88.7
95.04959	59.8
95.08596	76.5
97.06528	11.0
97.10159	5.2
98.98456	31.8
103.05441	4.5
105.07016	100.0
107.08569	58.2
109.06507	15.2
109.10126	43.3
111.04438	3.5
111.08076	4.3
111.11783	5.2
115.05380	6.6
117.07007	20.7
119.08560	95.2
121.06520	24.7
121.10125	44.6
123.08047	7.5
123.11677	19.3
128.06215	10.0
129.06967	15.8
130.07759	4.1
131.08531	39.2
133.10115	56.6
135.08046	8.3
135.11728	23.4
137.13361	4.7
141.07016	4.4
142.07779	17.1
143.08508	34.6
144.09311	7.4
145.10095	61.6
147.08063	4.6
147.11647	27.7
149.09599	5.4
149.13235	9.7
153.06984	4.5
155.01028	72.3
155.08531	13.4
156.09308	12.0
157.10110	58.5
158.10825	5.8
159.08051	6.0
159.11681	46.3
161.09523	17.4
161.13269	9.3
163.11104	5.4
165.06950	4.1
166.07660	4.1
167.08553	5.4
168.09341	5.8
169.10074	18.0
170.10930	5.1
171.11658	24.6
172.12469	3.9
173.13289	20.5
175.11189	11.8
175.14795	21.5
179.08531	5.2
181.10092	9.5
182.10884	4.5
183.11617	17.4
185.13235	12.3
187.11172	5.2
187.14795	13.0
191.14372	3.8
194.10866	4.8
195.11673	11.8
196.12360	6.2
197.13211	11.7
199.14844	9.7
201.12679	4.8
201.16353	13.5
209.13187	15.4
211.14777	9.1
213.16298	6.9
219.17325	4.2
223.14804	7.8
225.16396	4.7
235.14723	7.3
239.23680	9.1
241.19347	5.0
251.18027	4.9
253.15846	5.4
253.19629	4.2
277.19577	3.8
295.37485	3.6
304.26221	6.0
319.21268	4.9
327.74481	3.9
375.26468	7.5
393.27713	15.8
393.35361	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	393.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01855	1.7
55.05491	1.3
56.91562	0.6
57.03419	2.7
57.07045	0.7
59.04996	8.5
61.02928	0.7
61.47223	0.6
63.45530	0.6
67.05479	2.2
69.03423	5.7
69.07050	2.2
69.66967	5.0
71.04982	53.3
72.05325	0.9
78.08248	0.6
79.05467	1.9
81.03403	6.9
81.07032	5.4
83.04967	1.6
83.08586	0.9
85.02889	6.8
85.06528	12.1
87.04453	23.7
91.05450	1.1
93.07029	2.7
95.04970	4.0
95.08584	4.2
97.02876	13.8
97.06495	1.0
98.20705	0.8
99.04449	4.8
99.08114	0.8
101.06004	0.9
103.03958	1.0
105.07002	3.5
107.08576	3.0
109.02857	5.5
109.06496	1.2
109.10141	1.8
111.04396	0.7
113.05984	6.8
115.05433	0.9
117.05459	0.7
118.41700	0.7
119.08559	1.2
119.80942	0.6
121.06463	0.8
121.10119	3.5
123.08058	1.2
123.11664	1.8
127.03905	12.7
127.07536	24.3
128.06198	0.7
131.07051	4.3
131.08553	0.7
133.06429	1.6
133.10109	1.1
135.11714	1.0
137.13235	1.1
139.07486	0.9
143.07027	2.5
145.08577	100.0
146.08887	2.0
151.07521	2.2
155.07010	5.0
161.05986	1.9
161.13280	0.6
165.05443	1.0
167.06963	6.7
171.10147	0.7
175.14957	0.9
177.05521	0.7
177.09085	18.8
177.16335	4.6
178.09460	1.0
181.04788	0.7
185.08051	4.0
187.06044	0.8
192.07814	1.3
193.08586	8.6
193.10228	1.0
195.10124	1.5
195.17426	1.3
203.09065	1.2
218.65059	0.7
221.11798	1.8
231.12299	1.1
231.19478	1.6
245.10182	8.2
271.18210	0.7
313.26611	0.8
315.14340	1.2
321.24451	0.9
357.15378	2.6
375.16409	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04974	0.4
67.05474	0.8
68.05000	1.4
69.03421	0.7
69.07052	0.7
70.67300	0.4
70.67645	0.6
71.04955	0.7
73.02841	0.3
79.05457	0.6
81.07043	1.9
83.04965	0.7
83.08586	0.6
85.02866	0.4
91.05452	0.6
93.07011	1.3
95.04922	0.7
95.08594	1.5
97.02850	0.5
99.08069	0.6
105.06995	0.5
107.08556	1.6
109.02850	0.4
109.06487	0.4
109.10144	1.2
119.08524	0.5
121.10076	1.4
123.11688	0.5
124.05049	0.4
125.15498	0.3
127.03851	0.7
127.07597	0.6
130.05008	1.2
133.10129	0.6
135.11696	0.5
137.05939	0.6
140.03418	0.9
143.07002	0.5
149.04596	0.7
151.03873	0.9
154.55807	0.3
155.07001	0.4
166.07211	0.5
167.06935	0.4
172.06030	1.2
173.08128	0.4
177.16354	2.3
179.07047	0.4
188.09381	0.4
189.06467	0.7
195.17427	1.2
201.06424	1.6
202.07210	1.6
203.07899	1.4
204.08784	6.5
213.18433	0.3
215.07883	1.6
216.08769	100.0
217.09367	3.2
218.10327	5.2
225.06406	9.2
225.08543	0.5
226.07152	3.1
227.07962	1.2
228.08714	0.8
229.09573	1.1
230.10329	9.1
231.19536	0.9
240.08765	52.8
241.09424	2.9
242.10335	0.6
246.09824	6.7
255.09811	0.4
258.09912	2.7
268.08215	5.0
272.11417	3.5
283.09296	1.2
300.10858	50.4
301.11023	1.9
311.08850	0.8
315.11984	0.9
333.12921	2.5
343.11438	2.2
344.40347	0.4
361.12451	6.0
375.14111	6.0
393.15112	37.3
394.15338	1.3
396.74164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01853	1.2
55.05499	1.8
57.03437	2.2
57.07063	0.5
59.04983	0.6
61.02906	1.4
67.05478	0.6
69.03422	16.4
69.07053	0.9
70.06576	0.7
70.80082	1.5
71.04980	6.7
72.08154	0.5
73.02907	0.8
73.06539	0.7
79.05482	0.7
81.02975	0.7
81.03410	11.4
81.07039	1.0
82.78532	0.5
83.04971	4.7
85.02894	32.0
85.06521	1.1
87.04463	0.6
91.05466	1.3
93.07030	1.1
95.01317	42.2
95.04956	1.4
96.01680	0.7
97.02879	7.9
97.06532	0.7
98.97617	0.4
99.04444	3.4
101.02349	0.5
101.06007	5.8
105.07034	0.7
107.04937	1.1
107.42675	0.5
109.02870	12.6
109.06519	0.6
113.02352	100.0
113.05965	3.2
114.02691	1.9
119.04951	0.8
119.07101	0.5
119.08630	0.5
121.02847	0.6
121.06493	0.7
121.10119	0.6
123.04423	0.6
125.02343	1.0
125.05956	1.6
127.03902	17.0
129.05411	0.8
129.81557	0.4
131.04927	0.6
131.07002	1.1
135.04407	0.8
137.05952	1.3
137.08023	0.5
138.09117	0.5
139.03923	0.7
140.07010	0.7
143.03444	0.5
143.07039	1.2
145.04922	2.2
149.05948	0.8
151.03935	0.8
153.01801	2.6
153.05496	0.8
154.02174	1.0
155.02248	1.3
155.03421	0.9
167.07040	1.0
167.10619	0.6
168.11047	0.7
169.06978	0.4
171.02831	1.0
177.05447	1.4
177.09102	0.6
181.29970	0.5
183.75278	0.5
194.11720	1.2
195.12103	1.4
197.08031	0.5
213.12904	0.6
214.11665	0.6
221.04462	2.5
231.05005	1.5
231.14238	0.8
232.52986	0.5
239.05449	9.5
257.06534	15.0
264.01266	0.5
269.09274	0.5
299.46802	0.5
336.08038	0.5
375.11826	1.4
375.16385	1.4
393.16489	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	393.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
53.47366	1.1
55.01848	1.5
55.05497	3.7
57.03421	2.9
61.02926	2.1
63.18540	1.1
69.03415	18.6
70.18616	3.4
70.19027	2.9
71.04692	1.2
71.04985	12.3
73.02884	2.2
76.30161	1.2
81.03404	15.6
81.07058	1.4
83.04974	9.3
84.04474	1.5
85.02895	31.0
85.06528	2.3
95.01314	45.1
95.04971	2.0
97.02869	8.2
98.20776	1.4
99.04449	3.5
101.06004	15.4
107.04939	1.4
109.02864	15.6
113.02351	100.0
113.06006	4.7
117.01881	1.2
119.07036	4.7
121.10125	1.3
125.02332	2.4
127.03896	19.8
132.95822	1.1
137.05966	2.1
137.08063	13.1
145.04926	2.9
158.59683	1.4
162.02295	1.5
166.95932	1.3
188.08095	1.9
194.11815	1.8
195.12195	1.7
213.13150	1.7
214.06114	1.6
217.07047	1.5
221.04405	3.3
231.08720	3.5
231.14182	2.3
232.07195	1.9
234.98958	2.1
239.05420	11.8
245.09546	2.0
246.09778	3.1
257.06543	15.8
259.08185	3.9
262.96719	1.2
313.89838	1.4
315.58139	1.5
351.82742	1.5
393.13840	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	393.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.1
56.96556	14.9
57.03425	3.6
58.99870	1.9
61.02925	2.7
63.26007	1.8
66.43108	1.6
67.06934	1.6
69.03423	10.8
71.04980	4.4
71.61107	2.2
73.02898	2.0
81.03410	3.4
82.34024	1.7
83.04972	2.4
84.96021	2.6
85.02893	20.5
92.33739	1.5
97.02872	11.2
98.97571	24.0
101.00867	8.7
103.02467	1.6
105.00343	2.0
109.02874	3.6
110.97569	6.3
112.99185	2.5
113.00873	4.1
113.03480	9.1
115.02430	5.6
116.98629	12.7
119.01907	39.5
119.02686	2.9
120.02029	3.0
121.01643	3.2
121.03510	1.8
127.03927	4.9
128.98598	6.5
129.04015	2.6
131.00247	3.7
131.01895	21.1
133.01698	2.6
133.03456	23.1
134.99663	4.3
135.03111	2.0
135.04893	2.0
137.03015	5.5
141.00050	2.2
143.00146	3.5
143.01872	17.1
145.01666	2.2
145.03465	19.9
145.04932	2.8
146.03630	2.4
146.99637	3.3
147.05011	8.8
148.53043	2.3
149.01212	2.9
149.02965	4.5
151.04512	2.5
153.01826	7.7
153.04018	4.3
155.01865	19.4
156.02766	3.3
157.03468	18.1
158.99692	3.9
159.05008	9.5
161.01384	3.0
161.02934	33.9
162.03038	2.7
163.02650	3.1
163.04536	4.0
167.01971	2.3
168.99786	2.1
169.03445	18.0
170.99583	2.2
171.05003	37.1
171.06352	3.2
173.01369	3.1
173.02913	25.8
173.06642	5.1
175.02774	4.6
175.04535	14.9
177.00732	6.0
177.04393	2.3
177.06068	3.8
179.02081	4.3
181.03494	3.0
183.05040	8.9
185.02864	10.8
185.06650	4.1
186.99275	1.9
187.03011	2.9
187.04495	14.1
189.00789	3.8
189.02446	2.5
189.04332	2.9
189.06046	18.2
191.04080	1.9
193.03551	4.0
195.04944	4.1
197.02887	11.5
197.06503	2.4
199.04558	5.5
201.00700	3.1
201.06091	6.7
203.04036	11.6
203.07629	4.0
205.03842	3.5
205.05638	4.9
207.05278	2.9
207.07108	11.7
211.04514	5.2
213.04332	2.7
213.05991	10.4
215.00540	2.0
215.07709	2.6
217.05611	3.8
219.01758	16.9
219.07184	3.3
221.01836	2.4
221.05057	34.0
222.05299	3.3
223.04820	6.7
223.06798	2.7
225.06142	5.7
226.06033	2.2
227.02422	2.3
231.07164	20.5
235.06593	4.9
237.02808	22.0
239.06586	2.7
243.07080	20.6
244.07472	2.6
245.05052	19.5
245.08801	5.8
247.06828	10.1
248.99278	5.3
249.08316	8.7
253.02350	3.0
257.05157	2.5
257.08804	2.3
259.06705	13.7
261.08218	26.0
262.08224	3.8
263.06412	1.9
265.07999	9.7
267.07156	5.4
273.08231	7.0
277.03366	6.6
277.07861	4.4
279.03882	2.1
279.09290	6.8
285.08182	9.1
291.00333	3.2
291.06271	2.7
291.09097	9.2
293.05493	3.1
303.01230	3.9
305.10611	4.2
309.10669	2.3
315.09332	6.3
321.10446	9.3
322.60812	2.1
333.05920	3.1
333.10257	100.0
334.10504	5.4
335.08087	2.9
351.06122	14.4
351.11316	63.8
352.11667	3.4
363.07681	3.0
369.07178	6.1
379.07288	2.6
393.08380	4.3
393.12494	76.7
394.12781	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	393.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01853	0.3
55.05490	1.0
56.96544	1.1
65.03931	0.9
67.05494	1.7
69.03400	0.4
69.07047	1.4
71.04952	0.6
71.62740	0.4
72.52254	0.3
79.05471	1.3
81.03403	2.4
81.07034	4.0
83.08577	0.4
85.02859	0.5
85.06528	0.8
91.04872	0.6
91.05463	12.3
93.07017	3.0
95.04953	1.0
95.08589	3.3
97.02866	1.2
98.97542	0.8
99.04432	0.3
105.06998	2.7
107.04933	0.5
107.08574	2.8
109.02851	5.3
109.06491	0.9
109.10118	2.4
111.08075	0.5
116.98607	0.5
117.06989	0.5
119.04919	25.9
119.08548	3.4
120.05232	0.5
121.06493	0.9
121.10121	2.4
123.08026	0.9
123.11694	0.6
125.80514	0.3
127.03883	2.5
129.06975	0.4
131.08536	1.5
133.10107	1.5
135.08015	0.8
135.11678	1.1
137.05946	0.6
139.03851	0.5
142.07722	0.4
143.08540	1.4
145.06490	0.3
145.10115	1.8
147.04381	100.0
147.11658	1.3
148.04718	2.8
149.05943	0.4
149.09578	0.5
149.13225	0.9
151.07504	0.7
154.06233	1.0
155.08508	0.6
157.10129	0.8
159.08031	0.4
159.11676	1.5
161.06081	0.3
161.09612	0.6
161.13246	1.0
163.11060	0.3
163.14784	0.5
165.05490	0.4
167.07094	0.6
167.08482	0.4
169.08664	0.6
169.10103	0.8
171.11642	1.0
173.13214	0.9
175.14833	0.9
177.00655	0.5
177.16409	0.4
182.05698	0.5
183.11668	0.5
185.13229	0.7
187.14758	1.5
189.16446	0.6
195.11699	0.4
197.08054	6.3
197.13258	0.9
199.14819	0.9
201.12683	0.4
201.16345	0.4
203.14354	0.4
213.16377	1.4
215.14217	0.5
219.01906	0.4
231.13742	0.5
241.19292	0.3
267.21252	0.5
286.65192	1.0
295.65839	0.6
297.65784	0.4
298.15909	0.6
307.65771	0.5
357.23941	0.3
375.25259	0.4
375.29544	0.9
393.13046	0.5
393.19009	0.8
393.27106	1.2
393.31717	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	393.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03585	1.6
54.66751	1.5
55.01862	4.0
56.28498	1.7
57.03424	3.9
61.02914	3.8
68.96574	1.6
69.03419	18.4
70.56051	6.7
71.04996	2.4
73.02905	3.3
79.07229	1.9
81.03426	3.5
83.05005	2.0
85.02894	25.7
86.03228	1.9
87.04449	1.9
97.02897	11.3
98.97562	4.6
99.04485	3.1
101.00851	9.0
107.04903	2.3
107.26734	1.7
109.02901	2.8
113.03503	2.5
115.02480	2.0
115.03904	1.8
116.98595	2.0
119.01902	25.2
121.03470	1.6
127.03869	15.7
129.03989	3.6
131.01935	8.0
133.03458	7.0
137.02956	4.5
143.01901	8.9
143.03398	2.4
145.03487	10.0
145.04967	6.6
146.03571	1.4
147.05011	5.8
149.02977	1.9
153.01814	48.8
154.02193	2.0
155.01918	7.1
157.03511	6.0
159.05066	4.4
161.02951	12.8
163.04437	1.7
167.02005	1.8
169.03464	16.8
171.05061	7.2
173.02945	9.3
175.04596	5.3
183.05049	2.7
185.02986	6.3
185.06593	2.4
187.04491	15.5
189.02499	2.6
189.06117	5.9
191.03955	2.6
197.02989	2.8
199.04616	3.9
201.06114	7.0
203.04044	5.6
203.07661	1.6
205.05621	8.1
209.03050	2.2
215.07697	1.7
216.74396	1.8
219.01711	2.2
219.07204	2.0
221.04965	19.1
222.05504	17.7
222.55495	2.1
223.06587	11.1
224.07217	1.8
225.06032	1.7
227.04156	1.8
231.05833	12.8
231.14359	3.2
231.56212	4.6
237.05988	2.0
237.08234	2.6
243.07086	3.8
245.05225	8.0
247.02901	2.2
247.06631	19.7
248.00267	1.9
255.07141	2.3
257.08707	2.1
259.06635	2.9
261.08292	2.6
263.06085	2.1
265.07709	16.7
265.10184	1.8
273.04599	2.0
273.08289	4.4
275.05997	2.8
275.09729	4.4
277.07666	3.1
281.04950	3.3
287.06522	2.0
287.09793	4.8
289.07846	3.7
291.09311	7.0
292.09521	2.2
299.06125	3.0
301.04117	2.8
303.05338	3.6
303.08417	7.8
303.58411	2.3
305.07440	3.9
305.11011	5.3
307.08755	2.2
312.08554	2.1
315.09399	4.0
317.07288	3.6
319.05148	5.9
321.06665	2.8
321.10291	2.0
333.06763	4.6
333.10361	13.9
335.08350	3.3
345.06772	2.1
349.81448	2.1
351.07626	4.5
351.11481	9.5
363.07742	2.3
379.07199	2.8
393.11758	100.0
394.12122	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	392.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.96304	0.7
55.01849	0.9
57.03408	0.6
61.02914	1.5
63.46022	0.5
69.03413	2.4
69.69917	3.8
69.70330	1.0
69.97272	0.6
70.06583	0.9
79.05482	2.9
80.19514	0.6
81.03414	0.8
85.02884	8.4
85.38425	0.6
91.05464	1.7
91.24250	0.6
95.04941	1.1
97.02861	2.2
98.21524	0.7
103.05448	3.5
105.06976	3.3
107.04942	35.4
109.02827	0.6
110.66663	0.6
112.07578	0.7
115.05399	1.7
120.05717	0.7
121.06446	0.7
123.04416	1.4
124.05239	1.5
127.03860	0.9
131.04926	1.9
131.51303	0.6
135.08044	11.2
141.75827	0.6
145.04935	1.0
145.07565	1.1
149.05946	0.8
151.03757	0.7
154.06226	1.7
163.07523	31.3
167.07014	82.6
168.07375	1.6
180.07559	1.3
180.08853	1.3
181.08598	1.9
195.10149	24.5
196.10471	0.8
213.11186	100.0
214.11476	3.0
234.86017	0.7
279.41907	0.5
304.01114	0.7
325.24799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11296	0.6
57.03411	1.5
61.02914	1.3
65.22174	0.6
69.03407	2.2
70.06569	2.2
71.04978	0.7
71.61609	1.2
75.18116	0.8
79.05467	2.3
81.03400	1.6
85.02895	8.6
91.05465	1.3
93.07034	0.7
95.04958	1.3
97.02865	2.9
99.04446	0.7
103.05444	4.0
105.06997	2.4
107.04939	35.1
107.08625	0.7
108.05244	0.8
109.02839	0.8
110.06019	0.8
112.07596	2.3
115.05460	1.6
120.05699	1.0
122.13184	0.6
123.04388	1.1
124.05185	1.2
127.03907	1.8
131.04903	1.0
135.08032	10.7
137.06017	0.8
140.07021	1.5
145.04883	1.4
145.07498	0.6
146.33089	0.6
149.05908	1.2
151.03865	0.7
154.06142	1.2
157.19588	0.7
163.07523	28.9
164.07851	1.2
165.55872	0.6
167.07018	78.4
168.07347	2.5
180.07713	3.0
181.08469	1.8
195.10146	25.1
196.10548	0.7
213.11186	100.0
214.11537	3.6
234.01906	0.8
239.39116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92514	0.8
53.03936	1.0
55.01851	1.0
55.05494	1.2
57.03407	1.0
61.02903	1.2
69.03418	3.3
70.06580	4.9
70.71515	1.6
70.71885	1.2
71.04980	3.5
76.74155	0.7
79.05473	4.9
81.03404	2.2
81.07068	0.9
83.04971	1.0
84.04522	1.3
84.98099	0.7
85.02901	8.5
91.01726	0.8
91.05480	2.8
93.07034	0.8
95.04975	1.5
97.02901	3.5
99.04459	0.8
103.05470	3.1
105.07018	3.5
107.04945	38.2
109.02885	1.4
109.06536	1.6
112.07579	2.6
115.05444	1.5
120.78124	0.7
121.06490	1.1
123.04440	2.0
124.05245	1.1
125.05950	1.3
126.09036	1.0
127.03884	2.6
131.04939	1.6
132.95528	0.7
133.02892	1.0
133.06436	0.8
135.08038	9.5
137.05986	2.9
138.09181	0.8
139.07513	1.6
140.07042	1.9
145.04938	1.9
149.02319	2.3
149.05957	1.0
149.09636	0.9
151.07672	1.0
154.06190	2.5
163.07532	29.0
164.07793	1.0
166.90639	0.8
167.07022	81.3
167.10661	2.4
168.07324	1.9
169.75642	0.8
180.07645	1.1
180.08829	1.4
181.08638	1.4
194.11726	5.2
195.10159	24.8
208.09752	0.8
212.12799	3.3
213.11194	100.0
214.11552	1.5
230.13901	3.5
392.14853	0.9
393.08295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01861	0.8
57.07065	7.9
61.50743	0.5
67.05478	1.2
69.03404	0.8
69.07043	1.7
70.22217	2.5
71.08620	7.4
79.05052	0.9
79.05485	12.6
81.07050	8.7
83.04992	0.7
83.08611	0.7
85.10150	4.1
85.46460	0.5
89.06016	0.6
91.05460	0.5
93.07047	2.8
95.04959	1.7
95.08578	1.7
97.06523	8.5
98.21219	1.1
107.04924	0.9
107.08553	1.8
109.10122	0.6
111.08060	0.7
113.06000	2.3
119.08585	0.6
121.10098	0.7
123.08070	0.6
125.05974	32.6
127.07482	0.5
137.09639	0.8
139.07518	17.2
143.07025	15.7
149.02333	2.2
153.09068	10.0
153.10170	0.9
165.44223	0.6
166.08582	1.2
167.03354	0.7
167.10641	7.2
177.12775	0.6
181.12216	5.5
195.13768	3.9
209.15366	2.2
223.16954	1.2
237.18530	1.6
251.20091	1.3
265.21643	1.6
279.23059	1.4
293.24649	0.6
307.26025	0.5
321.27917	0.8
335.29221	1.1
373.34497	0.7
378.67203	0.6
391.35654	100.0
392.35864	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	391.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01854	0.8
55.05496	0.6
57.07069	7.7
67.05478	1.3
69.03423	0.6
69.07065	1.4
71.08623	6.9
71.32616	0.4
71.32951	0.3
77.03908	0.3
78.44601	0.2
79.05482	11.7
79.05954	0.5
81.07046	8.4
83.01350	0.4
83.04971	0.3
83.08612	0.9
85.10159	3.6
89.05986	0.4
91.05438	0.6
93.07045	2.4
95.04955	1.0
95.08591	1.2
97.05902	0.5
97.06515	8.0
97.10156	0.4
99.11720	0.4
105.04463	0.3
105.07021	0.4
105.21575	0.3
107.04937	0.8
107.08618	1.4
111.08047	1.2
113.05989	2.6
121.10139	0.9
123.08006	0.3
125.05979	28.4
135.07944	0.5
135.11707	0.6
139.07524	13.5
140.07857	0.3
143.07018	14.2
149.02299	1.7
153.09082	8.8
157.08643	0.4
159.11627	0.5
165.12720	0.4
166.08627	1.1
167.10649	6.3
177.12738	0.6
177.16240	0.3
181.12216	5.3
191.23161	0.3
195.13766	3.1
209.15343	2.0
223.16890	1.3
224.78160	0.3
237.18442	1.3
251.20078	2.7
265.21600	1.3
279.23108	1.4
290.58105	0.3
293.24759	0.7
307.26276	0.6
321.28033	0.8
335.29330	1.0
373.34644	0.6
391.35641	100.0
392.36044	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	391.32
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01612	0.7
55.01862	7.9
55.05502	12.1
57.03424	3.6
57.07066	13.7
64.52622	0.3
67.05493	3.9
69.07056	29.3
69.75030	0.4
70.07412	0.4
71.08617	9.8
77.39327	0.4
79.05476	0.6
81.03409	8.8
81.07042	6.1
83.04942	0.6
83.08603	22.0
85.09691	0.6
85.10169	5.4
91.05465	0.7
93.07030	2.3
95.04940	0.8
95.08586	6.6
97.02884	0.6
97.10154	12.3
98.20778	1.0
99.00774	0.5
99.04420	1.1
105.06985	1.2
107.08527	2.1
109.02863	13.4
109.06498	1.3
109.10126	6.2
111.08083	0.7
111.11707	6.6
113.06001	1.1
115.03916	7.3
117.06913	0.4
119.08575	1.4
121.06503	0.9
121.10126	2.1
123.04408	1.8
123.08041	1.3
123.11698	2.7
125.05916	0.4
125.13256	3.6
127.03893	100.0
128.04242	2.2
131.08562	1.5
133.10103	1.1
135.08099	0.9
135.11661	1.2
137.09573	1.1
137.13214	0.8
139.07582	0.4
139.14787	1.2
141.05437	5.0
142.05670	0.4
142.07768	0.6
143.08536	0.5
145.04912	1.1
145.10098	1.2
147.11717	0.8
149.02292	4.1
149.09599	2.0
149.13206	0.5
151.11156	1.7
151.14803	0.5
153.05354	0.4
153.09071	0.5
155.06987	2.0
157.10115	0.6
159.11693	0.5
163.14845	0.4
165.09119	0.4
165.12776	0.4
167.03366	0.4
167.06973	0.8
168.06540	2.4
169.08583	6.2
173.13223	0.8
177.09042	0.9
181.08546	0.8
183.10136	16.5
183.11763	0.9
184.10411	0.4
187.14822	1.3
193.15776	0.5
195.10110	5.6
197.11690	6.6
201.16316	0.8
209.11653	3.9
211.13275	3.5
213.16376	0.5
223.13200	3.6
225.14813	3.2
236.80940	0.4
237.14783	3.7
239.16347	5.2
240.16628	0.4
249.63864	0.4
251.16336	4.4
253.17937	8.7
254.18245	0.4
265.17929	6.8
267.19391	3.7
279.19470	3.2
281.21036	3.1
293.21027	2.2
295.22595	2.6
307.22604	2.8
309.24231	4.0
321.24130	3.1
323.25717	0.9
332.93036	0.4
335.25610	3.2
373.30713	0.5
391.31989	28.7
392.32336	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.32
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	5.0
55.01861	6.4
55.05502	15.6
57.03422	3.4
57.07065	13.3
62.77916	1.1
67.05487	4.2
67.19084	1.2
69.07059	38.4
69.47748	8.4
71.08323	1.0
71.08622	10.4
79.05470	2.6
79.62473	1.0
81.03398	9.1
81.07047	9.8
83.08133	1.8
83.08605	23.5
85.10168	5.6
91.05460	1.2
93.07015	4.4
95.08584	10.6
97.02884	1.2
97.10156	12.4
105.06998	2.6
107.08558	3.6
109.02861	17.4
109.10144	8.4
111.11709	6.3
112.07627	1.3
113.05985	1.6
115.03914	8.2
118.67086	1.1
119.08541	2.5
121.06550	1.6
121.10104	3.5
123.04414	2.3
123.08021	1.4
123.11672	3.4
125.05923	1.8
125.13242	3.2
127.03894	100.0
128.04173	1.7
131.08571	2.4
133.10092	1.9
135.11679	1.7
137.13245	1.2
139.14798	2.3
141.05453	4.5
145.04854	1.5
145.10088	1.7
147.11644	1.9
149.02325	7.5
149.09590	1.7
149.13194	1.2
159.11682	1.4
167.03383	1.3
169.08662	5.6
169.10001	1.1
183.10152	15.4
185.13333	1.3
187.14906	2.0
190.94164	1.2
191.17693	1.2
195.10135	4.8
197.11729	5.8
197.13232	1.3
201.16347	1.5
209.11649	3.1
211.13197	5.1
223.13220	3.2
225.14812	3.2
237.14703	3.0
239.16397	3.7
251.16328	4.4
253.17868	6.8
265.17902	5.4
267.19482	3.4
279.19608	4.8
281.21149	2.5
293.20993	2.8
295.22510	1.4
307.22626	1.9
309.24158	3.3
321.24295	2.0
335.25778	2.6
342.11703	1.6
391.32053	37.6
392.32462	3.8
409.25098	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2835
Annotation	Amphidinolide W
Peak:m/z	Relative Intensity
53.03929	0.9
55.01838	0.9
55.05505	5.2
57.03441	0.8
57.07060	4.0
59.04991	0.8
67.05493	6.2
69.03424	0.9
69.07057	6.8
70.81335	2.1
71.04951	0.9
71.08602	1.9
79.05497	3.8
81.07047	13.0
83.04962	3.1
83.08603	1.5
84.51031	0.7
85.06524	2.6
85.57810	0.6
91.05456	4.3
93.07030	17.7
95.05003	1.2
95.08591	27.4
97.06517	3.0
99.04434	1.8
101.06006	3.5
101.47868	0.6
102.57315	0.7
105.07018	6.7
107.08579	28.9
108.08838	0.7
109.06501	1.4
109.09447	1.0
109.10141	13.2
111.08060	1.5
115.07583	0.9
117.06981	1.3
118.16723	0.6
118.55171	0.6
119.08556	9.2
121.06473	2.0
121.10128	17.3
123.08080	1.6
123.11703	3.3
125.05935	1.2
125.09618	1.9
127.07519	0.8
131.08537	3.2
133.10109	13.8
135.08040	3.0
135.11676	52.0
136.12053	1.3
137.09659	1.4
137.13234	5.2
139.07520	3.1
143.08527	1.8
143.71237	0.6
144.09306	1.0
145.10121	4.3
146.68564	0.6
147.08026	0.7
147.11632	4.5
149.02316	11.0
149.09576	1.5
149.13234	18.0
150.13594	1.1
151.11165	0.8
151.14812	2.6
153.09068	6.0
155.08546	0.7
157.10078	2.4
159.08107	0.6
159.11673	9.5
161.09538	0.7
161.13293	3.1
163.11154	2.6
163.14801	8.0
165.12753	3.6
167.03365	1.9
167.10596	0.7
167.14264	2.0
169.10080	1.1
171.11652	1.4
173.13222	3.6
175.11165	1.3
175.14841	1.5
177.12727	20.6
177.14244	1.4
179.14287	1.2
181.12204	2.5
183.11656	1.0
185.13243	1.6
187.14827	2.1
189.12611	1.5
189.16409	1.3
191.06944	0.9
191.14268	4.2
193.12248	1.2
195.11945	1.2
195.13770	23.2
196.14070	0.7
197.13220	1.1
199.14818	1.9
201.12659	0.6
201.16299	1.1
209.13354	0.8
209.15326	2.6
211.14836	1.8
213.16408	1.2
215.14342	0.8
219.13806	0.7
225.16417	0.9
227.17982	0.9
237.12393	0.7
239.17952	0.9
268.70099	0.7
309.25906	1.2
319.24023	0.8
327.26801	2.7
337.25192	2.5
345.27866	4.4
355.26276	6.3
358.74289	0.6
359.82849	0.7
373.27487	2.9
391.28387	100.0
392.28696	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2319
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
53.03932	2.7
55.01854	6.1
55.05254	2.3
55.05495	11.0
57.03428	6.5
57.07064	6.7
59.04988	3.6
61.02906	5.7
65.03946	4.5
67.05490	24.2
69.03415	25.5
69.07056	12.2
70.52265	9.8
71.04988	14.0
71.08598	2.8
73.02905	5.4
79.05469	22.4
81.03397	18.3
81.07040	45.7
83.04967	14.1
83.08610	7.8
85.02887	46.7
85.06538	10.0
91.03930	2.6
91.05468	21.0
93.07025	62.8
95.04951	15.6
95.08587	30.3
97.02871	14.2
97.06505	7.2
99.04442	6.9
99.08074	12.5
103.05431	6.3
103.96186	2.7
105.07016	33.9
107.04942	13.5
107.08567	50.7
109.02850	9.9
109.06508	12.3
109.10141	26.8
111.04427	6.0
111.08037	19.3
115.05420	2.9
117.06985	6.6
119.04898	6.7
119.08568	31.3
121.06491	6.7
121.10113	53.8
123.04414	4.2
123.08031	9.3
123.11681	30.7
124.12035	2.3
125.05981	3.6
125.09602	5.6
127.03891	14.1
129.05406	3.5
129.06990	7.3
131.04900	8.0
131.08560	8.4
133.02879	5.2
133.06419	4.2
133.10097	27.2
135.08070	3.5
135.11711	12.3
137.05943	17.4
137.09572	9.7
139.03816	3.3
139.07536	2.8
139.11163	18.6
141.09018	3.1
145.04930	10.2
145.06383	2.6
145.10095	6.6
146.07217	3.5
147.04332	4.5
147.11662	11.6
148.05199	3.0
149.02313	27.8
149.05949	7.9
149.09593	3.6
149.13217	8.2
151.03873	8.5
151.07579	4.6
151.11143	60.8
153.05431	3.7
153.12746	3.3
155.10654	7.7
156.88701	2.6
157.10080	3.4
159.08046	5.2
159.11688	2.7
161.05952	83.5
161.09584	17.7
162.06615	5.0
163.03873	6.6
163.07524	10.9
163.11124	4.2
165.05498	5.9
165.16388	2.6
167.03363	5.1
167.07027	23.3
167.10580	2.6
167.14354	2.6
169.12213	100.0
170.12424	3.4
173.07246	3.8
173.13152	2.5
174.06781	3.0
175.07436	5.7
175.14775	30.3
177.05460	4.7
181.04953	5.4
181.08572	9.2
183.06529	3.1
189.05446	3.3
189.09064	43.7
191.08331	14.1
191.10822	3.2
193.08687	3.6
193.15846	29.9
197.08054	3.5
199.08635	2.8
207.10115	43.7
211.07635	2.8
211.09557	3.3
211.16890	22.2
217.15811	4.7
219.10118	5.1
225.08998	2.8
229.14435	3.4
229.17953	68.5
230.09181	3.6
237.07486	2.8
243.11134	2.7
269.08112	3.5
275.13846	3.2
283.09723	3.5
297.11417	2.8
303.12143	3.9
307.12753	2.9
315.12326	2.8
317.13858	6.0
341.10239	2.6
359.12384	3.2
361.16776	3.4
366.83301	2.9
373.13120	4.6
373.21857	5.6
391.13568	12.8
391.22461	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	391.123
Annotation	Sagitol
Peak:m/z	Relative Intensity
52.72947	0.4
53.03930	1.0
56.96568	0.4
57.03419	1.1
57.07049	0.6
58.00192	0.3
59.04972	0.4
60.75485	0.4
67.05464	0.6
69.03416	3.8
69.07035	0.5
70.06570	0.8
71.04999	0.9
71.08611	1.2
71.61094	0.6
71.61460	0.4
73.02895	0.4
79.01842	2.4
79.05457	0.5
81.03405	6.8
81.07053	0.7
83.04967	0.7
85.02894	7.2
86.09655	0.5
89.06033	0.6
91.05453	0.8
95.04960	0.5
95.08577	0.6
97.02885	4.3
99.04438	1.1
101.05991	0.7
105.07005	0.9
107.01296	1.7
107.04948	1.1
107.08572	0.8
109.02865	5.9
109.06501	0.5
111.04469	0.4
112.07581	0.9
113.02361	1.5
121.02830	0.4
121.06472	0.4
125.02335	4.4
125.05963	0.7
127.03903	9.4
133.02838	0.4
133.06497	0.5
135.04321	0.5
137.05960	2.2
138.09064	0.4
139.07567	0.4
140.03418	1.5
140.07057	1.2
141.03740	1.0
143.03398	6.2
145.04974	1.3
147.04425	0.5
149.02321	6.5
149.06021	0.6
151.03943	0.6
153.01810	100.0
154.02138	2.0
161.05983	1.1
162.06590	0.6
163.03790	0.5
163.07574	0.6
165.05521	0.8
167.03383	1.3
167.06996	1.3
167.10680	1.1
168.06459	0.8
171.02861	11.4
177.05499	0.5
181.04915	0.6
181.08554	0.5
194.08875	0.7
194.11642	0.6
200.31174	0.4
228.12216	0.9
229.12657	0.7
230.13771	0.6
267.06775	0.7
275.10712	0.5
297.05994	4.6
301.10657	0.7
302.11942	0.5
315.07074	10.1
341.10254	0.5
391.15649	19.0
397.23843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.0
57.03431	2.7
59.49643	1.3
69.03413	6.8
70.87093	2.6
71.04971	2.0
73.02943	1.7
78.35926	1.3
79.05480	6.2
81.03385	2.5
81.07011	1.6
85.02907	16.2
91.05464	6.4
95.04968	2.6
96.87074	1.5
97.02876	5.0
103.05428	6.8
105.03379	3.0
105.07018	52.2
107.04967	7.6
109.02886	2.2
109.06523	2.3
114.90027	1.6
115.05454	9.2
118.04133	4.5
119.04933	5.5
121.02854	3.3
121.06557	2.4
123.04398	2.1
124.07561	2.7
127.03894	2.5
131.04877	2.2
133.06480	46.3
137.05878	3.2
139.03882	2.1
143.06050	2.0
145.04938	4.7
149.05951	4.5
151.07521	3.2
153.05428	2.3
161.05963	100.0
162.06329	3.6
165.05492	1.6
165.07729	2.3
165.09087	20.1
167.07021	3.5
168.07672	1.7
170.46925	1.3
175.07567	1.6
179.07001	2.8
180.08702	4.0
181.08502	2.0
193.08582	94.1
194.08867	3.7
211.07794	2.5
211.09631	24.8
228.12277	10.7
390.18405	8.6
391.15158	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25258	1.0
50.69433	0.9
51.76263	1.0
55.01863	3.7
57.03427	1.2
60.04485	1.1
61.02908	1.9
69.03429	3.3
69.26857	3.2
69.27280	8.5
71.04961	1.1
79.05472	5.3
81.03432	1.9
85.02885	12.5
91.05460	6.9
95.04979	1.5
95.64973	0.9
97.02901	4.1
98.21514	1.9
99.04466	1.1
103.05446	5.8
105.03397	1.4
105.07017	50.8
107.04954	2.8
109.06546	1.4
115.05432	10.9
118.04160	3.9
119.04907	6.4
121.06490	1.5
123.04335	1.0
127.03899	1.5
131.04982	0.9
133.06467	51.0
134.03600	1.3
143.06075	3.4
143.63950	1.1
145.04970	2.6
147.04382	1.0
149.06004	1.6
151.07585	2.3
153.05486	3.4
161.05956	100.0
162.06351	1.8
165.09056	2.3
167.06976	1.4
168.07831	3.9
180.08667	3.3
182.19942	1.1
184.16183	1.1
193.08575	83.1
197.69740	0.9
210.11258	1.3
211.09641	19.0
228.12318	4.0
392.69034	1.0
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
50.03666	0.3
51.02371	0.7
53.03945	2.5
55.01852	0.8
56.96537	0.4
57.03433	1.8
61.02915	0.7
63.00346	0.3
69.03421	10.8
70.06556	0.6
71.04980	0.9
71.52908	0.7
73.02894	0.8
74.45982	0.4
78.03444	10.6
79.04249	0.4
80.05015	1.6
81.03407	20.0
85.02897	11.4
85.54604	0.4
87.04462	1.9
91.18964	0.3
96.04481	4.9
97.02876	4.7
99.04449	2.9
105.05502	0.8
105.07000	0.8
106.02901	58.1
107.03230	0.5
107.04945	0.4
109.02865	11.6
110.43879	0.4
121.24706	0.3
122.05991	0.8
124.03938	100.0
125.04276	1.7
127.03900	6.4
133.06480	0.5
139.03873	0.8
140.07036	1.0
145.04927	0.8
148.96931	0.3
153.01836	1.1
154.04974	0.4
154.08539	0.4
154.60728	0.4
161.05986	0.9
165.09148	0.4
166.04977	1.6
167.07018	0.5
168.06531	1.2
169.04890	0.7
171.84065	0.3
193.08568	1.0
196.06067	0.5
198.94817	0.3
207.05641	0.3
208.06094	0.5
210.11272	0.7
211.43898	0.3
226.06982	0.3
228.08649	2.0
228.12267	3.1
232.06001	4.5
237.02827	0.8
247.61566	0.3
250.07082	22.0
268.08127	59.8
269.08578	1.7
349.08066	0.4
390.13943	10.5
391.14523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81974	1.4
53.03923	1.7
55.01854	2.2
55.05499	1.4
56.05019	2.1
57.03428	2.5
58.75852	1.5
58.99543	1.6
60.96527	1.3
68.30058	1.3
69.03413	6.4
71.04971	3.5
71.54348	2.6
72.08143	2.9
73.02880	1.4
79.05493	6.9
81.03413	2.8
81.07031	4.1
83.04968	1.8
84.04501	1.4
85.02890	10.7
89.60835	1.6
91.05448	4.1
93.07016	2.7
95.04953	3.3
95.08591	5.0
97.02872	3.1
99.04430	1.9
99.28796	1.4
103.05456	3.9
105.03384	7.6
105.07011	49.8
107.04940	13.6
109.02863	4.8
109.06503	1.5
110.09666	3.1
115.05421	8.8
115.37131	1.4
117.05489	2.0
118.04133	3.1
123.04392	2.8
124.07574	17.0
127.03884	3.5
130.05028	1.8
131.04887	2.2
133.06470	45.4
133.10086	1.5
134.06662	1.4
137.05969	5.0
138.08102	2.7
138.09123	36.7
143.06041	2.6
145.04893	2.3
147.04332	1.7
149.05905	1.8
149.29626	1.4
151.11087	1.5
151.61763	1.4
152.07034	32.6
161.05957	100.0
162.06383	3.7
166.08623	83.8
167.06972	1.4
169.05136	1.4
170.08060	3.3
174.96353	1.2
177.05458	1.9
180.08704	1.8
184.09662	10.4
193.08578	78.4
194.09001	1.6
209.04547	1.2
210.04628	1.3
211.06090	2.0
211.09668	2.1
220.09627	3.1
228.12308	4.8
242.00246	1.6
270.08914	1.8
292.12875	1.4
310.12833	5.0
328.13873	1.7
372.14304	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99258	0.4
53.03934	1.6
55.01873	0.5
55.05500	0.5
57.03422	1.6
62.52527	0.4
63.86580	0.4
67.05470	0.6
67.63738	0.4
69.03403	1.5
70.06570	1.5
71.04990	0.9
71.31892	1.0
73.02918	1.0
75.04467	0.4
79.05485	2.6
79.47021	0.5
81.03423	0.6
81.07038	1.4
83.04980	0.8
85.02892	5.5
86.09708	0.7
91.04947	0.4
91.05453	1.0
93.07019	1.2
95.01305	2.8
95.04971	3.4
95.08598	1.7
96.08934	0.9
97.02866	1.1
97.06491	0.8
103.03976	0.8
103.05485	0.7
105.03378	100.0
105.06992	3.7
106.03690	2.7
107.04914	1.0
107.08558	1.2
108.08920	0.6
109.06509	0.5
109.10148	0.6
111.08114	0.4
113.02355	1.6
113.05923	0.8
115.05434	0.6
119.04974	0.6
119.08577	0.6
121.06509	0.6
121.10085	0.6
122.02685	1.3
122.03588	0.6
123.04406	3.9
123.08044	0.5
124.03949	0.5
125.06001	0.5
125.09611	0.9
126.09923	0.6
127.03894	0.6
131.03384	0.8
131.04984	0.5
133.06445	3.1
133.10252	0.5
135.04381	1.1
135.08041	0.6
137.05956	3.5
139.03882	0.6
141.01799	5.3
145.10114	0.8
147.04419	0.8
149.06006	0.7
149.09608	2.1
149.45728	0.5
150.09949	1.1
151.03957	0.8
151.07495	0.5
153.05426	1.1
154.09534	0.5
159.02818	0.9
161.05975	6.7
163.07404	0.7
167.07010	1.4
179.07016	26.8
180.07402	1.3
181.08554	0.6
192.14616	0.8
193.04959	0.5
193.08546	4.0
193.15959	0.5
197.08070	32.6
198.08409	0.9
207.10239	0.7
209.15308	1.3
210.15868	2.5
228.12329	1.3
228.16289	0.9
234.59700	0.4
241.51912	0.5
256.05371	0.5
337.09082	0.6
391.13870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	13.8
57.07049	7.5
66.68342	3.2
67.05499	24.9
69.07066	30.0
71.04984	5.0
71.63125	2.7
79.05478	17.3
81.07043	66.0
82.07289	3.0
83.08602	8.8
85.06512	6.1
91.05455	17.5
93.07034	53.7
95.04961	2.9
95.08595	80.5
97.06530	7.1
97.10123	6.0
105.07030	23.3
107.07853	5.8
107.08582	100.0
108.08912	4.6
109.06485	4.2
109.10143	44.7
111.08061	11.9
111.11710	5.9
116.05509	3.0
119.08555	24.7
121.10130	72.2
123.11692	73.1
124.12048	3.4
125.09573	3.5
127.03902	3.0
133.10109	12.3
135.11687	27.6
137.13232	13.0
145.10101	7.2
147.11670	22.6
149.13225	46.1
151.14890	3.7
152.11345	2.9
153.12796	3.8
159.11691	3.0
161.13260	14.7
163.11211	4.0
163.14809	32.6
167.14319	16.2
169.07187	2.7
175.14821	7.0
177.16371	6.4
179.14301	8.4
181.15952	3.6
183.11617	3.2
187.14824	7.2
189.16367	18.9
191.17931	43.2
192.18227	3.2
198.31366	2.8
201.16289	4.3
203.17941	32.2
205.19508	11.4
207.17348	7.4
217.19508	11.1
221.18896	3.5
223.20518	8.7
353.31927	6.3
371.28867	3.8
371.33093	41.0
372.33490	3.7
389.34622	25.8
410.31610	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2164
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
51.25614	1.4
53.03933	1.5
55.01856	4.2
55.03459	1.2
55.05501	6.5
57.03419	3.8
57.07050	1.4
59.04987	1.9
67.05501	10.4
69.03417	8.8
69.07053	7.2
69.81602	6.1
69.82012	2.4
71.04989	7.3
79.05475	10.5
81.03396	3.4
81.07045	18.7
83.04963	12.9
83.08609	6.3
85.02892	13.4
85.06545	7.5
91.05457	8.0
93.07031	22.9
95.04939	9.3
95.08591	26.3
97.02837	3.0
97.06513	6.0
97.10159	2.2
98.20794	1.7
99.04439	6.4
99.08076	13.0
103.05432	2.1
105.07011	14.6
107.04950	7.6
107.08576	40.4
109.02852	2.6
109.06499	11.6
109.10140	24.8
111.04440	1.4
111.08064	5.5
112.91588	1.4
113.06018	1.5
113.09626	1.7
117.06995	2.4
119.08565	8.9
121.06484	15.3
121.10125	28.8
122.02714	3.5
123.04420	1.8
123.08057	16.3
123.11711	3.6
125.05981	2.5
125.09602	7.1
127.03915	2.4
127.11159	5.1
130.08661	1.3
131.04871	2.3
131.08543	13.2
133.10100	21.2
135.08055	12.8
135.11673	4.6
137.05971	5.8
137.09586	5.7
139.07469	3.3
139.11148	4.2
145.10094	5.4
147.11632	7.5
149.09602	51.3
149.13242	15.1
150.09947	3.2
151.07552	1.5
151.11147	16.8
153.05457	1.7
153.09093	9.0
155.03296	1.3
155.10617	1.6
158.10971	1.8
163.07547	3.2
163.11154	5.9
163.14812	22.3
164.15080	1.9
167.07034	4.0
167.14313	2.9
169.12233	5.1
173.13248	18.2
175.07544	2.3
191.10680	2.5
191.14273	64.9
192.14584	3.0
209.15335	100.0
210.15700	4.8
219.10094	1.8
227.08398	1.4
227.12820	3.2
227.16432	13.2
237.10063	3.2
251.16277	2.8
265.09644	4.0
279.07516	3.3
283.10068	1.3
293.09210	8.1
297.08585	5.3
300.09967	1.3
321.08716	4.3
339.09592	6.4
343.12808	2.1
357.10400	2.1
371.11801	2.2
389.13235	18.4
389.16974	1.4
390.13708	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	389.2166
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03921	6.3
53.55305	2.7
55.01852	10.5
55.05505	8.4
56.05026	4.9
57.03430	17.6
57.07063	4.6
59.86811	3.0
61.02906	10.2
62.70703	2.9
67.05479	12.4
69.03426	31.7
69.07051	15.0
70.06566	6.6
71.04969	13.8
71.20163	8.6
73.02889	12.1
73.06548	3.8
79.05470	15.5
81.03403	22.0
81.07035	20.7
83.04969	17.6
85.02894	93.3
85.06541	29.6
86.09670	5.8
87.04475	5.7
91.05451	22.3
93.07023	37.6
95.04962	24.1
95.08598	24.2
97.02875	25.2
97.06506	14.3
99.04430	14.1
101.05991	5.5
103.05445	4.8
105.07021	45.8
107.04935	9.7
107.08578	34.7
109.02847	19.9
109.06477	9.5
109.10139	13.6
111.04420	9.7
111.08063	7.2
112.03895	4.7
115.03905	5.8
116.07024	4.3
117.06965	9.5
119.08570	54.6
121.02844	19.9
121.06465	5.4
121.10107	24.2
123.04426	5.6
123.08020	8.0
123.11690	4.7
124.03904	3.3
124.07552	5.1
125.02392	5.9
125.05923	4.3
127.03913	35.3
129.06990	5.3
131.04912	8.6
131.08533	24.4
133.06520	6.8
133.10110	72.3
134.10507	3.8
135.08038	12.3
135.11658	13.2
136.05275	3.4
137.05952	12.6
137.09579	4.9
139.03882	9.5
139.07512	6.5
140.03391	12.4
140.04581	4.6
143.08534	4.2
145.04919	9.7
145.10098	14.6
146.05273	3.4
147.04280	4.2
147.11659	18.6
148.99873	3.1
149.09564	6.2
149.13239	18.3
151.03825	4.0
151.11125	7.8
153.01794	11.7
153.09067	12.5
155.07005	4.0
157.10019	3.3
158.10876	8.3
159.11671	6.3
161.05934	11.8
161.13235	100.0
162.13487	3.4
163.07576	7.5
163.14803	19.2
165.05417	6.1
165.09082	5.0
167.07036	8.1
167.10657	9.4
173.13225	40.8
179.14276	28.7
181.04951	9.7
181.08554	7.3
181.13322	6.5
183.13776	5.6
189.12770	9.7
191.14296	46.9
192.10162	4.0
193.08586	10.5
199.09706	3.8
209.15337	75.2
209.17307	3.9
210.11096	4.7
227.09084	15.9
227.13908	18.6
227.16385	34.6
228.12276	10.7
231.13692	4.1
249.14700	18.9
256.01895	3.6
261.14841	4.9
266.06342	4.9
267.15857	4.6
281.17566	4.2
299.16248	5.3
317.17487	4.5
335.18561	16.8
351.61493	3.6
353.19513	12.3
357.10547	5.1
371.11710	3.4
371.20560	15.9
379.63400	4.1
382.59625	3.7
389.13596	13.9
389.17624	9.7
389.21936	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	389.2165
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.01870	1.8
55.05500	19.8
56.14137	1.8
57.03429	3.1
57.07064	2.3
59.04978	1.8
61.02925	2.1
67.05484	6.0
69.03424	11.6
69.07047	7.1
69.37738	15.3
71.04976	6.9
73.02921	2.3
76.49121	1.7
78.91998	1.8
79.05478	5.5
81.03413	5.0
81.07043	13.1
83.04968	49.9
83.08598	14.3
85.02897	18.5
85.06528	5.8
87.04469	2.2
91.05451	5.2
93.07037	10.1
95.04944	5.4
95.08611	5.6
97.02894	5.6
97.06494	8.3
97.10174	6.2
99.04457	11.7
99.08039	2.8
105.07027	5.6
107.04951	2.4
107.08573	27.4
109.02869	2.9
109.06518	5.9
109.10143	27.2
111.04378	1.8
111.08068	4.9
113.06020	3.0
113.09631	2.2
113.51834	1.7
115.05434	2.0
119.08552	5.9
121.06493	2.2
121.10149	11.2
123.08047	4.5
123.11719	10.3
125.09621	17.7
127.03875	2.9
127.07514	2.7
127.11216	2.9
131.04880	3.4
131.08562	3.6
133.10124	9.9
135.08063	3.4
135.11656	3.0
137.05983	5.7
137.09570	2.4
145.04973	2.5
145.06442	2.0
145.10139	2.3
147.08035	1.6
147.11687	3.8
149.09644	6.0
149.13245	7.7
151.07503	3.2
151.11150	26.6
155.10640	4.4
161.06026	2.5
163.11201	4.5
165.09056	2.1
167.07022	6.0
167.10626	5.6
167.14301	41.8
169.08621	1.9
169.12221	50.0
170.12589	2.0
173.13232	3.0
175.07535	4.4
175.11093	2.2
179.06937	2.3
181.12231	2.3
189.12720	2.1
191.10689	5.1
191.14307	5.4
192.07738	1.7
193.12236	4.9
195.13881	1.9
207.06425	4.1
209.11971	3.7
209.15344	100.0
210.15691	3.5
219.10188	1.9
227.12866	3.7
227.16379	26.7
237.14781	2.2
251.16412	29.6
252.16711	2.4
265.09827	1.9
291.16055	1.7
309.17029	3.0
317.17630	2.0
335.18451	3.1
339.09595	3.6
353.19592	5.2
389.12936	7.9
389.21173	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1588
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
50.94433	1.2
51.86393	1.2
53.00282	1.3
53.03932	2.9
55.01862	41.5
55.05502	1.9
61.87594	1.2
64.93690	1.2
65.03926	7.7
67.05483	6.4
69.03412	3.1
69.07040	3.7
70.16393	6.0
71.04966	2.9
75.09594	1.4
79.01828	1.4
79.05471	7.0
81.03394	2.7
81.07037	9.9
82.04179	3.8
85.02902	7.6
85.06512	4.1
91.05465	5.1
93.07024	6.6
95.04927	7.0
95.08591	4.9
97.02866	3.3
97.06503	4.6
98.20667	1.3
99.04439	1.7
103.05433	15.8
105.03336	1.3
105.07006	6.5
105.98142	1.2
107.04948	9.0
107.08598	6.2
108.02061	1.6
109.02876	2.5
109.06519	2.3
109.10131	4.3
110.03635	4.2
111.04393	2.4
115.05423	2.1
117.06985	5.0
117.34696	1.2
119.04922	1.9
119.08529	2.9
121.06467	8.0
121.10109	5.2
121.84298	1.4
122.03632	3.3
123.04411	4.6
123.11709	2.5
125.05947	3.0
127.03912	2.2
128.06198	1.9
129.06950	9.4
131.04919	21.3
131.08478	2.2
132.05670	1.6
133.06442	2.1
133.10109	5.3
133.53702	1.1
134.10451	3.7
135.04427	1.6
135.08005	2.3
135.11650	1.3
137.05951	36.5
138.03102	3.5
138.06322	1.6
140.04630	1.7
142.02574	2.5
142.99960	1.2
145.06451	5.3
145.10075	2.2
147.04395	1.8
147.08023	1.7
147.11633	2.4
148.05086	1.4
149.05960	13.1
151.03944	1.9
151.07516	3.0
153.05420	4.8
155.07011	1.8
157.06461	8.2
159.04340	1.5
160.05113	2.4
161.05943	4.5
163.07500	9.7
163.11163	4.0
167.07013	44.6
167.10672	1.4
169.08589	1.6
171.06465	7.6
174.06772	3.6
175.07512	19.4
177.05440	34.7
177.08997	2.1
179.06978	2.7
181.04924	100.0
181.08452	3.9
182.05237	2.0
183.06473	4.1
184.03578	1.1
187.07556	2.9
189.09045	12.7
191.06998	2.8
191.10654	2.2
191.14328	2.9
192.14633	5.2
193.08641	3.2
199.07309	1.3
201.09131	1.7
205.08539	3.8
206.07248	1.8
209.08057	64.7
210.08365	2.8
217.06784	1.6
217.08553	8.2
219.10130	4.0
221.09833	1.7
227.12738	2.6
227.16174	1.7
233.09601	2.2
234.06696	2.5
235.07451	1.3
235.09555	4.6
246.06807	1.9
249.09016	4.5
261.09113	2.8
263.07184	1.9
264.07761	1.4
277.08527	9.0
278.09219	2.2
279.10077	2.0
281.07904	1.2
281.11725	1.6
289.08578	2.1
291.10083	2.1
307.09500	1.4
309.11154	2.2
311.09152	1.5
311.12915	1.8
321.11172	3.8
327.12259	1.8
339.12320	14.9
341.13846	5.1
353.13776	1.8
355.64078	1.4
359.14847	3.8
371.14801	16.7
372.15378	1.7
389.15891	86.4
390.16351	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1436
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
55.01868	3.1
62.04313	1.9
64.73495	1.4
69.03416	2.4
71.61586	3.1
73.02907	22.1
81.03406	2.8
81.07058	3.8
83.04989	2.1
85.02902	9.8
91.05488	1.9
95.04962	4.3
97.02875	2.7
98.25925	1.6
105.03394	5.7
105.07026	3.9
116.01682	1.9
121.02842	17.2
123.04440	7.7
124.07535	2.1
126.40003	1.6
127.03923	1.9
133.06487	2.1
137.05986	4.9
139.03928	4.1
140.04663	25.6
145.04994	2.6
155.07002	47.4
155.08200	2.5
161.05896	3.9
162.02197	2.3
167.07037	2.3
171.06566	3.1
173.08180	1.7
179.07021	2.7
181.04930	50.4
186.15652	1.5
193.08664	3.7
209.04401	3.6
209.08057	12.9
209.15442	2.1
210.04660	3.7
210.11278	1.7
227.09109	100.0
228.09447	3.0
283.08002	2.3
370.09851	2.0
389.13123	3.6
389.17825	52.0
389.22891	2.5
390.18311	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	389.1587
Annotation	(-)-Simulanol
Peak:m/z	Relative Intensity
53.03923	3.9
55.01860	25.8
55.05492	4.2
65.03916	7.1
67.05475	8.9
69.03429	5.4
69.07054	3.2
69.69977	14.8
71.04974	2.7
79.05473	13.1
81.03407	5.5
81.07038	7.6
85.02872	9.9
91.05462	24.2
93.07015	8.4
95.04954	13.0
95.08602	4.5
97.06528	5.2
99.04420	4.9
99.08083	2.6
103.05442	47.6
105.07021	12.5
107.04948	16.3
107.08579	7.6
109.02859	4.9
109.06471	3.6
109.10151	3.4
110.03652	3.5
110.38596	2.4
111.04444	4.3
111.08102	3.1
115.05430	8.8
117.06990	8.1
119.04907	13.6
119.08559	6.2
121.06490	11.5
121.10087	6.6
122.03610	4.1
123.04375	10.8
123.08044	8.8
123.11656	3.9
125.05977	4.5
127.03904	4.3
129.06975	10.1
130.04108	5.3
131.04907	94.7
131.08516	3.6
133.02866	2.9
133.06450	9.9
133.10109	3.1
135.04356	2.6
135.07986	4.2
135.11650	2.5
137.05952	51.9
139.03879	4.5
145.06459	9.1
145.10080	3.2
146.03561	3.4
146.33580	2.5
147.04378	20.6
147.08002	4.9
149.02319	3.6
149.05948	15.7
149.09595	3.4
150.06711	5.7
151.03914	19.5
151.04994	4.1
151.07532	22.0
153.05411	7.6
155.07054	2.9
157.06451	7.1
159.04376	3.4
160.05128	5.2
161.05977	26.3
162.06743	24.5
163.03860	3.3
163.07520	55.1
163.11140	6.6
164.04633	3.1
165.05450	4.6
165.09105	4.9
167.07031	41.8
169.08501	3.7
171.06598	4.9
173.06013	4.7
173.09612	3.0
174.06705	10.3
175.07523	100.0
176.07817	4.7
177.05453	34.2
177.09018	5.5
179.07025	12.9
179.08434	3.1
180.07655	2.8
181.04924	75.9
181.06500	5.1
181.08458	11.5
183.06439	12.8
187.07494	8.1
188.50771	2.5
189.09044	19.8
191.07007	10.0
191.10588	6.1
193.04869	3.5
193.08562	10.3
195.10146	14.1
199.08699	2.9
201.09108	7.4
205.06570	2.8
205.08548	6.4
206.07376	2.7
207.06494	47.2
208.07175	12.0
209.08052	52.6
209.09904	3.8
209.11742	4.5
209.15323	9.1
217.08609	7.3
218.07092	4.9
219.08127	5.2
219.10103	83.3
220.10550	2.7
221.07782	3.3
221.09674	3.3
227.12628	3.8
227.16376	5.7
233.09729	3.8
234.06720	4.4
235.07455	3.6
235.09575	4.1
241.09599	5.9
247.07526	4.8
248.08253	3.9
249.09097	11.0
250.09882	3.1
253.08778	3.2
255.11182	9.6
261.09027	7.8
263.06955	4.5
277.08557	21.2
278.09119	7.4
279.10156	3.8
283.10434	5.2
291.09979	3.2
293.08203	3.0
293.11411	4.2
295.09558	6.7
297.11160	3.0
300.10016	3.0
301.10736	2.7
307.09421	4.5
309.11118	7.2
311.12793	3.4
313.10657	4.1
315.12207	11.4
321.11151	5.8
326.11191	3.3
327.12177	31.0
329.10968	12.5
339.12250	31.1
340.12924	3.3
341.13968	13.5
343.11603	2.9
345.13226	7.0
353.13559	3.7
357.10706	11.1
359.15079	12.2
371.14825	51.5
372.15027	2.5
389.16098	54.1
390.16623	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
53.90487	0.8
55.01865	5.9
55.05499	1.5
65.03933	2.3
67.05495	3.7
69.03420	2.5
69.07053	5.8
71.04975	11.4
71.62306	1.2
79.05479	7.5
81.03389	1.4
81.07047	11.9
82.07376	0.8
83.04965	1.0
83.08599	2.0
85.02887	4.7
85.06525	8.2
89.03910	0.8
91.05454	7.5
93.07027	11.4
94.04147	0.8
95.04964	4.6
95.08582	13.3
97.02886	1.9
97.06516	13.0
99.04395	1.0
103.05437	3.8
105.07010	11.9
107.04945	3.8
107.08571	21.1
107.69974	0.7
109.02860	1.4
109.06509	7.6
109.10122	5.0
110.03670	0.9
111.08065	3.3
115.05418	1.3
117.07008	3.1
119.04945	1.7
119.08551	7.7
120.05590	0.7
121.02852	1.1
121.06484	2.5
121.10125	26.1
122.03677	1.4
122.10454	0.9
123.04426	3.2
123.08050	2.7
123.11702	1.3
125.05978	2.5
127.03888	1.1
129.06978	2.1
131.04924	4.9
131.08543	6.9
133.10112	69.0
134.10448	2.4
135.07065	1.3
135.08018	11.8
135.11674	3.5
137.05960	17.2
138.06300	6.2
139.03844	0.8
140.04768	0.8
143.08531	1.3
145.06453	1.6
145.10129	2.7
147.04422	1.0
147.11671	15.7
149.05963	3.8
149.09598	2.4
149.13242	14.0
151.03912	1.7
151.07523	1.7
153.05455	2.2
157.06422	1.4
158.10870	2.5
161.05974	2.1
163.03934	1.5
163.07564	1.9
163.11127	1.4
163.14796	36.5
164.15187	1.1
167.07011	11.6
168.07359	1.7
173.13245	22.1
174.06700	1.3
175.07477	5.6
177.05438	7.0
181.04933	18.1
181.08603	1.1
182.05304	1.7
183.06494	1.7
187.07567	1.2
189.09076	2.8
191.07010	2.5
191.14276	100.0
192.07471	1.1
192.14642	4.4
193.08470	1.1
195.10197	1.5
207.06516	1.7
207.10075	1.0
209.08044	9.9
209.15419	0.9
217.08556	1.5
219.10138	5.8
249.09059	2.2
253.08447	1.6
255.10152	0.8
277.08496	1.8
296.10361	1.0
300.09964	0.9
307.09711	1.1
309.11206	1.4
313.10577	1.5
313.14105	0.9
321.11090	1.1
327.12082	4.0
339.12238	2.2
340.12750	1.0
341.13715	1.6
349.14017	0.8
357.13162	1.2
358.13596	1.3
359.14969	5.0
367.15656	0.8
371.14862	6.0
388.14517	7.7
389.15909	18.9
402.84958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
53.90487	0.8
55.01865	5.9
55.05499	1.5
65.03933	2.3
67.05495	3.7
69.03420	2.5
69.07053	5.8
71.04975	11.4
71.62306	1.2
79.05479	7.5
81.03389	1.4
81.07047	11.9
82.07376	0.8
83.04965	1.0
83.08599	2.0
85.02887	4.7
85.06525	8.2
89.03910	0.8
91.05454	7.5
93.07027	11.4
94.04147	0.8
95.04964	4.6
95.08582	13.3
97.02886	1.9
97.06516	13.0
99.04395	1.0
103.05437	3.8
105.07010	11.9
107.04945	3.8
107.08571	21.1
107.69974	0.7
109.02860	1.4
109.06509	7.6
109.10122	5.0
110.03670	0.9
111.08065	3.3
115.05418	1.3
117.07008	3.1
119.04945	1.7
119.08551	7.7
120.05590	0.7
121.02852	1.1
121.06484	2.5
121.10125	26.1
122.03677	1.4
122.10454	0.9
123.04426	3.2
123.08050	2.7
123.11702	1.3
125.05978	2.5
127.03888	1.1
129.06978	2.1
131.04924	4.9
131.08543	6.9
133.10112	69.0
134.10448	2.4
135.07065	1.3
135.08018	11.8
135.11674	3.5
137.05960	17.2
138.06300	6.2
139.03844	0.8
140.04768	0.8
143.08531	1.3
145.06453	1.6
145.10129	2.7
147.04422	1.0
147.11671	15.7
149.05963	3.8
149.09598	2.4
149.13242	14.0
151.03912	1.7
151.07523	1.7
153.05455	2.2
157.06422	1.4
158.10870	2.5
161.05974	2.1
163.03934	1.5
163.07564	1.9
163.11127	1.4
163.14796	36.5
164.15187	1.1
167.07011	11.6
168.07359	1.7
173.13245	22.1
174.06700	1.3
175.07477	5.6
177.05438	7.0
181.04933	18.1
181.08603	1.1
182.05304	1.7
183.06494	1.7
187.07567	1.2
189.09076	2.8
191.07010	2.5
191.14276	100.0
192.07471	1.1
192.14642	4.4
193.08470	1.1
195.10197	1.5
207.06516	1.7
207.10075	1.0
209.08044	9.9
209.15419	0.9
217.08556	1.5
219.10138	5.8
249.09059	2.2
253.08447	1.6
255.10152	0.8
277.08496	1.8
296.10361	1.0
300.09964	0.9
307.09711	1.1
309.11206	1.4
313.10577	1.5
313.14105	0.9
321.11090	1.1
327.12082	4.0
339.12238	2.2
340.12750	1.0
341.13715	1.6
349.14017	0.8
357.13162	1.2
358.13596	1.3
359.14969	5.0
367.15656	0.8
371.14862	6.0
388.14517	7.7
389.15909	18.9
402.84958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
55.05499	3.6
57.07061	2.0
61.02911	1.4
65.03931	2.5
67.05492	3.7
69.03417	42.4
69.07041	3.9
69.33824	13.0
71.04990	2.7
79.05491	2.9
81.03421	3.2
81.07050	6.8
83.04970	3.9
85.02886	8.9
85.06514	3.8
91.05465	44.8
93.07026	5.8
95.04945	2.9
95.08586	7.5
95.58257	1.1
97.02890	2.5
97.06525	4.0
103.05456	5.0
103.93907	1.2
105.07004	4.8
106.07338	1.3
107.04931	3.0
107.08586	13.3
108.08947	1.3
109.02879	1.9
109.06512	7.0
109.10159	2.7
111.08072	3.4
116.61504	1.2
117.06989	2.0
119.04937	2.4
119.08557	3.3
120.15598	1.5
121.06472	3.9
121.10140	10.6
122.03671	1.6
123.04385	2.3
123.08088	3.1
123.11712	7.0
124.08447	1.3
125.09612	18.4
129.06998	1.4
131.04921	9.1
131.08521	6.1
133.10101	2.8
135.08044	8.9
135.11703	6.0
137.05966	4.8
137.09615	1.7
137.13327	1.5
143.08551	1.5
145.04933	1.5
145.10112	4.1
147.04459	1.9
147.08015	2.1
147.11641	2.3
149.09573	6.5
149.13278	4.0
151.03868	2.3
151.07523	3.3
153.09128	7.2
157.06430	1.7
158.10922	2.3
161.05927	3.0
163.07524	4.3
163.11143	4.8
163.14893	3.6
165.12726	3.2
167.03372	2.2
167.07022	9.4
167.10736	1.2
168.07405	1.8
169.08467	1.2
173.13203	17.0
175.07536	17.5
177.05460	1.9
179.07124	1.5
181.04921	9.4
182.05296	5.8
191.06956	1.7
191.14276	67.1
192.14684	2.7
195.10165	2.9
201.09021	1.4
207.06471	9.7
208.07335	2.6
208.14043	2.0
209.15329	100.0
210.15688	3.3
216.43697	1.4
217.08589	1.8
219.10069	13.1
227.12837	2.1
261.03757	1.4
261.14453	1.2
293.08109	2.6
311.08929	1.5
313.10632	1.6
323.09027	4.1
327.12161	1.2
335.08777	1.6
339.12192	2.2
353.10056	2.1
359.14624	1.7
370.13342	2.2
371.10837	1.6
371.14935	4.0
373.87204	1.3
385.13687	1.3
388.14713	4.8
388.20465	2.1
389.16031	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	387.325
Annotation	11Z,14Z,17Z,20Z,23Z-hexacosapentaenoic acid
Peak:m/z	Relative Intensity
53.03938	3.1
54.47335	1.7
55.05503	16.7
57.07054	7.3
58.86006	1.7
67.05493	40.2
69.03421	5.2
69.07062	26.6
69.32914	19.6
71.04994	9.8
79.05481	23.8
81.07043	72.7
81.91703	1.9
83.04968	3.7
83.08597	12.5
85.02898	2.5
85.06531	11.7
91.05466	16.2
93.07033	42.1
94.07388	1.6
95.04952	7.7
95.08595	91.3
96.08916	2.5
97.06522	8.2
97.10161	7.3
99.08080	3.5
102.10454	1.9
105.07019	56.3
107.08578	71.7
109.06521	6.6
109.10145	92.3
110.10479	2.2
111.08077	6.0
111.11720	3.1
117.07034	3.5
118.40023	1.5
119.08571	64.3
121.06481	4.3
121.10123	57.6
121.11008	2.2
123.08052	7.2
123.11703	19.8
125.09622	4.7
129.06987	2.3
131.08533	11.3
133.10104	38.5
135.08060	4.0
135.11670	27.4
137.05981	7.0
137.09602	9.9
137.13237	13.3
143.08574	4.8
145.10100	20.8
147.11673	54.3
149.09601	13.4
149.13222	18.6
151.07629	1.9
151.11168	20.1
151.14828	3.6
153.12740	3.5
157.10135	6.6
159.11681	35.2
161.09615	2.1
161.13223	30.9
163.11177	5.5
163.14798	22.2
163.16043	1.7
165.12735	24.9
167.07072	3.1
167.14285	2.3
169.10025	2.3
169.12228	3.6
171.11720	6.9
173.13234	15.5
175.11168	1.8
175.14832	11.1
177.12808	5.2
177.16405	5.1
179.14355	6.7
181.04849	1.9
183.11586	1.7
185.13298	5.9
187.14845	11.4
189.12778	4.6
189.16286	14.9
191.14339	6.1
191.17926	5.4
197.13220	1.7
199.14842	4.4
201.16367	12.3
203.14384	3.8
203.17897	19.4
203.19397	1.7
205.15842	2.7
207.12006	1.8
207.13753	9.1
213.16415	5.4
215.17863	12.3
217.15894	7.2
217.19539	6.7
218.29228	1.9
219.17314	2.6
225.14812	2.7
227.17941	1.9
229.19484	4.5
231.17558	2.7
241.19695	2.7
243.20999	2.4
245.18970	3.5
255.21243	1.7
257.18964	2.9
259.20581	4.7
261.22189	2.8
269.22629	2.2
271.24200	25.7
273.22134	2.0
274.65268	1.9
285.22125	2.5
287.23608	16.9
305.24808	9.8
347.13156	5.0
360.00806	1.7
369.31491	100.0
370.31793	5.8
387.25305	3.9
387.32629	87.6
388.16080	1.8
388.32956	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	387.2006
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.36042	1.5
55.05474	4.0
57.07052	4.8
67.05494	26.4
69.03409	3.8
69.40643	18.6
81.07050	3.3
85.02879	6.7
85.06520	12.6
91.05480	4.0
92.02533	1.9
93.07027	8.9
95.04980	2.5
95.08596	100.0
99.38090	1.8
105.07011	7.7
107.08585	8.1
109.10165	1.8
111.86361	1.6
113.01148	1.9
113.05990	14.1
119.08582	18.2
121.10129	7.1
123.08056	31.5
123.11646	3.3
133.10097	3.2
135.11682	13.2
137.09592	2.1
147.11665	6.5
149.09615	30.3
151.07466	2.2
151.14864	3.4
153.81970	2.1
161.13243	13.7
163.11133	8.1
165.12701	8.8
189.12746	18.2
207.13768	80.2
221.02376	1.8
225.14854	3.9
353.87057	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2007
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05495	2.8
59.04984	6.8
60.79717	1.9
67.05484	6.6
69.03402	3.7
69.07029	2.0
69.50961	13.9
69.51376	4.1
79.05481	3.3
81.03393	2.5
81.07056	5.3
83.04982	3.0
84.06351	1.9
85.02903	7.6
91.05476	3.3
93.07025	9.3
95.04939	4.3
95.08598	6.2
95.44890	1.9
97.87543	1.8
101.06014	4.3
105.07018	14.9
107.08567	32.7
109.06514	11.0
109.10135	6.0
119.08562	14.6
121.10121	5.6
122.07251	2.5
123.08057	19.6
127.03925	3.3
133.10114	3.2
135.08020	7.7
135.11629	12.2
137.09596	100.0
138.09947	3.4
145.04941	3.3
147.08073	2.5
147.11655	10.4
149.09586	6.3
151.07529	4.1
153.09093	6.0
159.11751	2.1
161.13231	13.1
163.11151	4.1
165.09174	2.6
167.07048	2.2
177.12683	3.2
182.03296	2.3
189.12714	17.0
207.13737	24.1
225.12921	2.3
225.14723	12.1
231.59377	2.2
270.29965	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2006
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03935	2.5
55.01854	3.6
55.05509	5.5
57.03425	6.7
59.04973	1.9
61.02917	6.5
62.58144	1.1
65.03931	1.6
67.05482	7.2
68.53878	1.0
69.03418	19.2
69.07051	3.6
70.06573	2.6
70.90948	2.3
70.91330	1.8
71.04977	3.9
73.02889	2.6
79.05470	8.5
81.03402	7.7
81.07040	11.7
83.04965	4.2
85.02895	39.5
85.06522	3.4
87.04456	3.7
91.03943	3.2
91.05469	13.1
93.07033	11.1
95.04956	7.1
95.08595	10.7
97.02877	12.8
97.06493	4.4
99.04439	3.8
99.08085	1.4
103.05451	4.3
105.07016	46.8
107.04926	4.9
107.08585	12.2
109.02857	6.5
109.06508	7.9
109.10133	6.3
111.04425	2.4
111.08106	1.0
115.05456	2.4
117.06992	3.5
119.04942	2.0
119.08564	37.0
121.06480	6.1
121.10118	8.7
122.03626	1.6
122.07256	1.4
123.04324	2.4
123.08048	63.6
123.11681	3.9
124.08354	1.5
125.05981	2.8
125.09585	2.0
127.03886	11.8
129.07097	1.0
131.04889	4.9
131.08565	3.0
133.02837	2.7
133.06451	3.5
133.10095	8.0
135.08037	12.4
135.11682	3.1
137.05968	24.5
137.09595	8.9
143.04872	1.4
143.08511	1.3
145.04953	7.0
145.06459	2.0
145.10107	6.1
147.04387	1.6
147.11667	77.8
148.11983	2.1
149.05939	1.6
149.09596	11.4
151.03917	5.9
151.07526	15.8
151.11148	8.9
153.05513	1.5
156.09233	1.5
159.11714	2.1
161.05969	4.3
161.09612	3.3
161.13225	3.9
163.03943	1.5
163.07568	4.4
163.11174	12.0
165.05479	2.3
165.09048	4.1
165.12730	57.8
166.13133	1.5
167.07022	14.5
167.10646	1.8
173.05972	2.3
175.07512	1.9
177.05447	2.3
177.12715	3.7
179.07141	2.2
179.14308	3.0
180.07785	3.3
181.04942	19.8
181.08551	2.8
181.12195	10.1
187.07468	1.9
189.09126	1.7
189.12698	6.3
191.07045	2.6
191.14275	1.5
193.08519	6.6
195.13841	1.6
203.06921	1.8
205.08524	1.9
207.13774	100.0
208.14218	1.8
209.04439	2.0
209.15417	2.5
225.14815	43.6
230.24538	1.0
233.07993	1.8
235.07431	1.5
262.10721	1.6
263.07214	1.1
265.08408	1.3
309.11203	1.3
323.12531	2.4
327.12222	1.2
341.13684	1.7
355.11450	2.4
355.15433	3.0
357.13318	3.4
369.09402	1.5
369.13309	7.6
385.76346	1.3
387.10696	1.3
387.14365	12.4
387.20010	36.7
390.93808	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2007
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.04413	1.9
55.05490	4.4
57.03444	2.7
57.07066	5.0
60.44651	2.0
67.05488	20.3
69.03397	4.6
70.56147	5.1
76.98256	2.0
77.79799	2.1
79.05460	4.4
81.03421	3.6
81.07040	7.2
83.04982	4.2
85.02896	23.1
85.06537	7.7
91.04923	2.5
91.05482	5.3
93.07030	10.8
95.04958	5.6
95.08595	90.9
97.02911	4.1
105.07040	9.1
107.08565	12.0
109.06508	4.5
109.10151	3.9
113.05978	13.3
119.08582	20.2
119.17726	2.2
121.06534	3.1
121.10157	9.9
123.08060	27.5
123.11691	20.5
125.05981	3.8
127.03966	2.2
133.06470	2.7
133.10123	3.4
135.08070	2.6
135.11678	15.5
137.09616	3.3
145.04936	3.4
147.08076	3.0
147.11650	10.3
149.09619	37.8
149.10756	3.8
151.07559	8.0
151.14813	3.6
161.13246	15.1
163.11142	7.3
165.12723	8.1
167.10596	3.3
171.11705	2.9
174.10443	3.2
179.14301	4.5
180.32402	1.9
189.12698	28.4
190.13103	3.1
200.93933	2.0
207.13776	100.0
208.14133	4.6
225.14801	12.3
321.93744	2.3
334.65323	2.3
337.91544	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	387.1434
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03931	0.5
55.01855	1.2
55.05505	0.6
56.38570	0.3
65.03941	2.0
66.04704	0.4
67.05508	1.7
67.38638	0.4
69.03414	1.0
69.66090	2.3
71.04974	0.3
75.44124	0.3
79.05486	2.2
81.03400	0.8
81.07040	1.6
82.04212	0.4
85.02876	1.6
85.06522	0.5
89.88385	0.3
91.05465	2.2
93.03391	0.7
93.07031	1.4
94.04163	1.9
95.04948	1.3
95.08585	0.9
97.02871	0.8
97.06532	3.0
99.04475	0.3
103.05462	2.6
105.07055	1.6
106.04179	0.7
107.04966	2.1
107.08565	1.2
109.02826	0.4
109.06488	0.9
109.10135	1.1
110.03642	0.7
111.04420	0.6
113.62391	0.4
115.05443	1.9
117.07014	2.3
118.04167	0.9
119.04893	0.5
119.08546	0.8
121.06476	0.7
121.10101	1.0
122.03632	8.3
123.04417	1.0
123.08100	0.4
123.11697	0.8
124.05192	0.5
125.05998	0.9
127.05419	0.5
130.04095	0.4
131.04924	3.4
131.08412	0.4
133.02872	0.7
133.06480	1.3
133.10081	0.3
135.04359	0.7
135.08006	0.8
137.05962	100.0
138.03169	0.4
138.06293	1.3
139.03893	1.4
142.02625	0.5
143.04910	3.0
145.06477	3.1
147.04419	0.5
147.08002	0.5
147.11656	0.8
148.05176	1.6
149.05959	1.2
151.03893	8.5
151.04994	0.8
151.07584	0.4
152.04649	0.4
153.05431	1.2
155.05984	0.7
161.05966	1.2
161.09557	0.5
161.13289	0.5
163.03822	0.4
163.07541	2.8
165.05431	0.8
165.09071	0.4
165.12735	0.8
167.07016	12.7
171.06511	1.5
173.05978	2.9
174.06680	0.5
175.07544	1.4
177.05463	1.7
177.60831	0.3
179.07091	0.6
181.04939	23.9
182.05188	0.4
183.13812	1.0
187.07462	0.8
189.12697	0.4
191.07004	7.8
191.08551	0.3
195.06493	0.8
201.05426	0.4
203.06984	2.1
205.06870	0.5
205.08580	2.6
207.06517	0.8
207.10117	0.5
207.13766	1.2
215.06995	0.5
217.06479	0.3
217.08659	0.4
225.14815	1.3
231.07985	0.6
233.08092	1.9
235.07553	0.5
235.09579	2.4
247.07535	0.6
265.08414	0.6
269.08160	0.4
277.08682	0.4
279.10461	0.4
281.08353	0.5
293.08081	0.4
295.09698	0.6
307.09445	0.5
309.07388	0.5
309.10965	0.8
319.09790	0.4
325.10648	0.6
327.12360	0.9
336.09952	0.3
337.10507	0.7
339.12439	0.5
341.09827	0.4
341.13821	0.5
351.12180	1.7
355.11731	1.2
355.55594	0.3
357.13284	12.5
358.13535	0.5
369.09204	0.4
369.13370	2.4
387.14377	40.3
388.14813	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1431
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.02362	0.5
51.80896	0.3
53.03934	0.6
55.01865	0.5
55.05487	0.5
57.03419	0.5
57.07064	0.4
62.03720	0.3
65.03909	1.0
65.73441	0.4
66.12964	0.3
67.05482	1.4
69.03407	0.9
69.07049	0.6
70.50800	1.2
71.14057	0.4
79.05486	1.5
81.07059	2.0
83.08578	0.5
85.02860	0.7
85.06543	0.5
91.05479	2.4
93.07020	1.2
94.04166	3.1
95.04946	1.2
95.08591	1.3
97.06524	0.6
103.05437	0.8
105.03326	0.4
105.07011	0.9
107.04919	1.5
107.08579	1.4
109.06482	0.9
109.10122	1.0
111.04478	0.4
115.05439	0.7
117.07011	1.2
119.08567	1.1
121.10126	0.6
122.03638	8.0
123.04427	0.5
123.08045	0.4
123.11663	0.7
129.06995	0.8
131.04852	0.9
131.08525	0.4
131.11531	0.3
133.10120	0.7
135.07988	0.4
135.11714	0.6
137.05957	100.0
138.05336	0.4
138.06288	2.4
143.04904	1.1
144.05774	0.5
145.06462	1.7
145.10057	0.4
147.11678	0.5
149.05986	0.4
151.03888	1.8
151.07562	2.2
157.06476	2.0
158.07271	2.7
159.04393	0.8
161.05948	0.6
163.07523	0.7
165.05450	0.7
167.07022	5.9
171.11664	0.5
172.05260	0.5
173.05984	1.2
174.06750	3.7
175.07509	0.9
179.10637	0.4
181.04939	7.4
186.06761	0.5
189.09071	4.5
189.16357	0.5
191.07004	1.8
201.09087	24.8
202.09370	0.6
203.06940	0.6
205.08627	1.2
211.07480	0.4
215.06940	3.2
225.09174	0.4
233.08072	6.2
245.08054	7.7
253.08595	0.5
254.09358	1.2
255.06717	0.4
270.08673	0.6
277.08551	0.7
279.10297	0.5
285.11166	2.8
291.10156	0.5
293.11850	0.4
319.09357	0.4
320.10187	0.4
325.10541	0.4
337.10800	0.6
344.55972	0.4
351.12177	1.3
357.13315	4.4
369.13300	1.6
369.24045	0.6
387.14322	15.7
387.24515	1.8
388.14661	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1432
Annotation	Magnolone
Peak:m/z	Relative Intensity
55.01856	1.0
55.05490	0.4
55.82171	0.3
62.52189	0.3
65.03922	1.3
67.05489	1.3
69.03408	0.6
69.07034	0.4
69.48791	3.2
77.03936	0.4
78.04688	0.5
79.05480	1.1
81.03404	0.5
81.07053	1.7
82.04176	0.4
85.02886	1.0
91.05464	1.9
93.03370	0.4
93.07029	0.9
94.04166	2.2
95.04943	1.1
95.08607	0.9
97.02889	0.6
97.06512	0.8
99.04444	0.4
103.05452	2.5
105.03340	0.5
105.07019	1.1
107.04956	1.9
107.08545	0.5
108.02036	0.4
109.02866	0.5
109.06509	0.9
109.10141	1.2
110.03656	0.5
111.04394	0.5
115.05471	2.2
117.07008	2.5
117.92332	0.4
118.04120	0.7
119.04986	0.5
119.08524	0.8
121.02866	0.4
121.06431	0.4
122.02820	0.6
122.03630	6.2
123.04397	1.2
123.07955	0.4
124.05193	0.5
125.05959	0.5
129.06952	0.5
131.04892	1.9
133.06467	1.0
133.10120	0.5
135.04443	0.4
135.08014	0.6
137.05959	100.0
138.03078	0.7
138.06310	2.0
139.03918	0.5
143.04926	3.2
144.18750	0.3
145.06453	2.6
147.04416	0.7
147.07991	0.5
148.05162	1.5
149.05923	1.0
151.03894	8.3
151.05090	0.5
151.07585	0.4
152.04597	0.4
153.05476	0.6
155.05956	0.7
161.05954	1.0
163.03911	0.5
163.07539	3.0
165.05527	0.5
165.09067	0.6
167.07021	13.7
171.06541	1.4
173.05963	3.7
175.07500	2.0
177.05472	1.1
179.07054	0.6
181.04932	30.7
182.05280	0.5
187.07504	0.4
189.09134	0.4
191.06998	7.3
193.08527	0.7
195.06548	1.1
201.05420	0.5
203.06993	2.3
205.08533	2.2
207.06494	0.7
207.10115	0.6
207.13786	0.5
217.08481	0.5
219.08070	0.5
221.08029	0.6
225.14798	0.5
231.08003	0.5
233.08076	2.4
234.86249	0.4
235.07576	0.5
235.09648	2.0
236.08330	0.5
249.09024	0.6
252.07997	0.4
265.08698	0.5
277.08566	0.6
291.10291	0.4
293.08090	0.4
295.09637	0.6
309.10989	0.7
314.11371	0.5
325.10706	0.6
327.12305	0.9
337.10745	1.6
339.12302	0.4
341.13858	0.9
351.12189	1.8
355.11600	0.9
357.13269	12.1
358.13669	0.8
369.13239	2.4
387.14346	41.0
388.14700	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30053	1.0
53.03939	2.6
55.01846	3.5
55.05508	1.8
55.70742	1.0
56.77084	0.9
56.96557	1.2
57.03429	5.8
59.04982	2.2
61.02916	9.4
65.03940	1.3
69.03072	1.5
69.03419	22.3
69.07065	1.3
70.02944	1.4
70.06564	2.2
71.04974	3.6
71.61763	1.1
71.62115	1.5
73.02911	5.1
74.02430	14.6
76.09302	1.1
79.05496	2.6
81.03414	13.4
81.04523	26.0
81.07046	10.9
83.01318	2.0
83.04961	2.9
85.02890	63.6
85.16401	1.0
86.03231	1.4
87.04436	4.8
88.03948	4.5
89.06026	2.5
91.03926	4.4
91.05463	2.5
92.04971	3.5
93.07019	1.4
95.04963	3.3
97.02269	1.7
97.02875	22.8
98.97556	1.3
99.04431	5.8
100.10096	1.0
103.05428	2.3
105.06966	1.6
107.04932	6.4
108.04462	1.5
109.02874	7.0
109.06447	1.7
110.06020	100.0
111.04357	1.4
111.05573	2.7
111.06344	1.5
112.07637	1.4
115.03889	1.3
116.03445	1.3
119.04913	2.9
121.06469	6.0
123.04401	1.4
125.02254	1.1
127.03889	15.5
127.04999	13.0
133.02802	2.0
134.05995	5.8
136.03979	1.7
137.05920	3.8
137.10719	11.1
139.03914	1.2
139.07562	1.0
145.04955	11.5
145.06085	1.3
145.06485	1.3
147.04462	1.4
148.05156	5.2
149.05972	7.8
153.01779	4.5
153.05457	1.9
157.06061	4.6
161.07039	5.5
163.03821	2.0
165.05394	2.9
167.03384	1.9
167.07001	25.8
177.05464	6.3
179.08218	8.1
179.11746	29.9
180.04121	3.8
181.04915	1.8
182.05725	2.6
190.04991	3.5
190.69624	1.2
193.04951	13.8
193.08614	1.3
194.05762	5.9
195.06555	2.1
197.08072	1.8
201.00725	1.1
206.04211	1.6
207.07645	16.2
207.13821	1.8
209.08055	43.7
210.08418	1.8
211.09500	1.2
223.04137	2.0
225.08923	60.7
225.12262	92.0
226.08679	2.1
226.10678	2.2
226.12637	1.5
227.09018	1.5
237.02792	1.4
267.09680	1.8
303.09766	1.7
343.11728	1.8
387.12589	1.7
387.17584	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	387.1279
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.03932	0.3
55.01860	0.4
55.05499	0.2
57.03414	0.3
59.84744	0.1
61.02889	0.1
67.05493	0.3
69.03417	0.7
70.06553	0.2
70.54076	0.1
71.02692	0.1
71.03024	0.3
71.04979	0.2
73.02898	0.1
78.03445	0.1
78.04694	1.2
79.05478	1.2
81.03386	0.7
81.07029	0.5
83.04949	0.5
85.02895	1.3
85.06534	0.2
91.05460	0.9
93.07053	0.8
95.01318	1.4
95.04963	0.8
95.08585	0.3
97.02867	0.6
99.04433	0.5
103.05454	0.6
105.03353	0.2
105.07014	1.1
106.02902	0.8
106.04143	1.0
107.04928	1.4
107.08572	0.2
109.02866	0.4
109.06494	0.5
109.10120	0.2
111.04427	0.1
113.02359	0.2
113.05993	0.1
115.05428	0.2
119.04826	0.1
119.08565	0.3
121.02909	0.2
121.06492	0.9
121.10105	0.2
122.03568	0.2
123.03552	0.3
123.04409	4.3
123.08038	0.6
124.03931	1.4
124.05214	1.4
125.05962	0.4
127.03902	0.3
129.01813	0.2
131.22346	0.1
133.06470	1.2
133.10109	0.3
134.03615	0.2
135.04424	0.3
135.11670	0.1
137.05962	0.7
137.09633	0.2
139.03786	0.1
139.07574	0.2
141.01813	0.7
145.04834	0.2
147.07982	0.2
147.11688	0.2
149.05948	1.9
149.09534	0.3
151.03883	0.9
151.07487	1.0
152.04649	1.5
153.01802	0.6
159.11511	0.1
161.05948	0.9
163.11180	0.4
165.09190	0.2
165.12750	0.2
166.06209	0.3
167.07008	100.0
168.07355	2.2
177.03860	0.4
179.07005	0.5
179.10617	0.2
181.08543	1.3
181.22673	0.2
189.12706	0.4
193.08583	3.5
207.13757	1.2
209.04434	0.3
210.01573	0.2
211.09627	4.4
225.03966	0.6
225.07573	0.3
225.14807	1.0
268.08084	0.7
299.58206	0.1
323.11423	0.2
387.16467	1.3
387.20358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95467	0.8
53.03922	2.8
55.01854	2.6
55.36811	0.8
57.03428	4.6
59.04998	0.9
61.02922	6.0
65.03925	1.5
67.05467	0.8
69.03071	1.6
69.03419	18.9
69.74699	3.9
69.75109	1.8
70.02935	1.4
70.06599	1.5
71.04968	2.0
73.02898	4.3
74.02428	12.3
79.05499	1.7
81.03414	8.9
81.04523	25.0
81.07043	9.6
81.94700	0.7
83.04945	1.2
85.02891	45.8
87.04440	2.4
88.03974	4.2
91.03917	3.1
91.05460	3.6
92.04977	2.3
93.07001	1.1
95.04923	1.3
97.02879	20.1
98.97559	1.2
99.04461	3.9
99.08026	0.8
103.05444	1.8
107.04944	4.4
108.04431	1.3
109.02854	6.1
110.06026	70.1
111.04416	1.8
111.05581	1.6
116.03449	1.4
118.05018	0.8
119.04890	1.6
121.06483	3.6
123.04400	2.8
125.06053	0.9
126.70645	0.8
127.03896	11.9
127.05005	11.6
131.04903	1.0
134.05981	3.7
135.04370	1.0
136.03923	1.1
137.05957	2.5
137.10725	11.3
145.04948	8.3
147.04341	0.9
148.05139	5.1
149.05983	6.0
152.07077	1.2
153.01762	2.1
155.07079	0.9
157.06062	2.8
160.35884	0.9
161.05885	1.2
161.07101	4.9
163.03807	0.9
165.05428	2.4
167.03294	1.1
167.07027	33.8
167.70604	1.1
175.07408	0.9
177.05452	5.4
179.08202	9.3
179.11763	33.9
180.04164	3.1
180.10249	1.1
182.05785	4.0
190.04974	1.2
193.04932	9.9
193.08669	1.5
194.05734	6.2
195.06512	2.0
197.08067	1.7
207.07690	10.8
209.08063	34.8
210.08374	1.3
223.04178	2.7
225.09000	41.5
225.12279	100.0
226.08482	0.9
226.10686	1.9
227.09035	1.4
237.02798	1.3
267.09616	1.5
291.46594	0.8
387.17896	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	386.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67119	1.3
55.01876	6.3
57.03437	14.2
59.04992	1.9
61.02921	12.8
68.51125	1.3
69.03069	2.3
69.03423	32.5
69.63716	1.1
70.15179	6.8
70.15549	2.3
71.01354	3.3
71.04972	3.0
72.20988	1.2
73.02495	2.3
73.02908	46.6
74.83304	1.2
76.99082	1.2
81.03402	3.7
85.02895	100.0
87.04456	10.3
91.03936	3.6
97.02879	49.1
99.04442	5.0
101.02392	1.6
103.03912	3.6
107.05008	1.2
109.02871	7.3
115.03918	31.6
127.03893	31.3
133.04945	52.0
145.04942	60.5
147.61810	1.2
150.07599	5.6
163.05994	38.7
167.07016	5.5
183.84412	1.2
223.05948	7.7
230.74124	1.5
237.13263	8.2
238.40453	1.2
241.07063	4.5
259.08167	8.8
277.09186	3.6
281.50885	1.4
295.10327	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	386.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01645	0.7
55.01868	6.5
57.03430	12.9
57.07062	0.8
57.46841	0.6
59.04990	1.5
61.02919	8.4
61.93645	0.6
64.81413	0.6
69.03419	19.2
71.01347	2.0
71.04968	1.9
71.10559	1.3
72.04483	0.8
73.02908	16.3
73.06547	1.4
81.03403	4.6
85.02893	100.0
86.03214	1.4
87.04461	4.6
91.03932	5.9
97.02876	30.6
99.04436	3.5
101.02379	0.7
101.06010	1.1
103.03931	3.2
109.02861	8.1
114.05579	0.6
115.03909	12.2
119.07041	0.8
127.03900	29.3
132.06540	1.3
133.04950	15.5
143.66214	0.7
145.04942	56.1
146.05316	0.7
150.07652	2.7
163.05998	33.1
167.07048	2.1
169.59007	0.6
170.46907	0.6
189.22905	0.6
193.04810	0.9
223.06071	1.4
237.13324	7.6
241.07089	1.7
259.08157	2.4
278.88562	0.7
295.10135	1.1
298.25882	0.6
395.68893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
54.86547	0.5
55.01856	0.6
55.05502	0.6
57.03416	2.1
58.06567	1.4
58.26347	0.5
59.04983	0.7
61.02902	2.2
69.03418	7.1
69.55429	1.5
69.55839	3.9
70.47159	0.6
71.04970	1.3
73.02895	1.4
76.03974	0.8
79.05451	1.3
81.03406	2.7
83.01292	0.5
83.04949	0.8
85.02892	18.7
86.00245	0.5
87.04415	0.9
91.05457	2.2
93.07022	0.5
97.02879	5.7
99.04417	2.0
99.06852	0.7
101.05991	0.8
103.05445	2.8
105.07011	11.0
107.04960	2.8
109.02879	2.9
115.03929	0.7
117.05469	0.7
117.06978	0.6
118.06535	5.0
119.07127	0.6
120.08093	10.1
121.06528	0.8
123.04420	0.9
127.03897	4.6
128.06177	1.1
131.04903	2.1
131.07228	0.8
137.02350	0.5
143.08527	1.6
145.04938	3.5
149.05911	1.0
153.01825	1.4
160.11197	52.3
161.11473	1.6
167.03400	0.7
167.06995	12.1
178.12244	50.5
179.12556	1.5
183.02913	1.3
191.10542	1.0
196.06035	1.1
206.11726	8.5
224.12778	100.0
225.13046	3.1
248.12801	1.2
350.16046	1.1
386.18219	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18089	1.7
51.72592	1.4
53.03923	1.9
53.14407	1.5
55.05502	6.3
57.03407	1.8
57.07071	8.1
60.71816	1.6
67.05492	16.9
69.07056	15.7
71.08619	1.5
71.63091	2.5
78.80687	1.6
79.05465	8.0
81.07046	71.9
83.04967	1.4
83.08602	6.6
85.06529	5.9
91.05459	5.8
93.07030	18.2
94.07986	1.6
95.08595	100.0
96.08956	2.4
97.06551	2.5
97.10168	4.9
105.07021	9.8
107.08576	31.6
109.06512	1.8
109.10152	26.4
111.11684	2.9
112.35986	1.4
119.08569	15.1
121.10140	19.5
123.08060	3.3
123.11700	17.7
131.08545	4.2
133.10100	10.7
135.07979	2.1
135.11688	13.2
137.13235	56.1
138.13637	1.7
145.10118	6.1
147.11653	15.5
149.13234	12.6
151.14801	6.1
157.10103	2.0
159.11658	5.4
161.13248	10.2
163.11237	2.3
163.14806	13.2
165.12770	1.7
173.13255	5.5
175.14842	6.0
177.16348	4.6
179.14243	6.2
184.12990	1.6
187.14857	5.5
189.16379	10.6
191.17867	8.5
193.15959	2.0
193.19536	3.0
201.16377	3.3
203.17964	5.2
205.15950	2.2
215.17914	7.2
217.19482	16.7
229.19519	7.3
233.18910	3.5
235.20566	4.2
243.21089	4.9
247.20583	2.2
248.33441	1.5
367.29736	2.6
367.33514	14.5
385.30615	11.4
385.35022	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	385.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00724	2.5
55.01878	3.1
55.05505	19.0
57.07055	7.5
61.54483	2.7
67.05492	21.1
69.07054	40.5
69.97754	16.4
71.04976	13.2
72.51031	2.7
78.52922	2.2
79.05479	14.1
81.07042	68.3
83.08592	18.1
85.06528	100.0
91.05461	14.9
93.07029	51.1
95.08588	95.9
96.08950	3.2
97.06528	6.9
97.10169	9.2
105.07015	33.5
107.08575	80.2
108.08900	3.2
109.10130	53.3
111.08073	4.0
111.11661	2.8
119.08575	31.6
121.06506	3.2
121.10124	69.0
123.08006	4.6
123.11693	22.4
131.08574	6.1
133.10106	26.3
135.11655	46.7
137.13217	14.4
143.08548	3.0
145.10085	12.7
146.16985	2.9
147.11661	29.8
149.13234	23.0
151.14789	4.1
157.10092	3.8
159.11673	14.6
161.13211	21.0
163.11174	4.4
163.14809	31.1
173.13248	11.8
175.14825	20.4
177.12714	3.6
177.16389	6.5
179.14316	3.7
181.15852	17.8
187.14850	7.3
189.16336	16.4
191.17946	27.7
193.15906	5.0
199.14786	3.7
201.16373	4.8
203.17928	35.1
203.45036	2.7
205.12300	4.0
205.15958	4.0
205.19466	7.1
215.18097	4.0
217.19507	18.5
243.21034	6.5
257.22653	5.6
273.78842	2.9
301.24869	3.4
367.29752	5.3
385.30173	28.8
385.34671	61.4
386.35037	4.9
402.13345	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	385.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42610	1.7
53.03907	1.7
54.28766	2.1
55.05500	11.6
57.03447	2.2
57.07057	6.9
66.74649	1.8
67.05489	25.8
69.07053	28.2
71.04977	15.9
75.34109	2.1
76.48660	1.8
77.12046	1.9
78.59031	2.0
79.05476	10.7
81.07043	50.3
83.08589	10.4
85.06528	100.0
91.05462	12.3
93.07024	39.3
95.08591	94.6
96.08950	1.9
97.06528	6.8
97.10173	7.5
98.20679	4.1
105.07013	24.2
105.07666	2.4
107.08572	58.7
107.09275	3.0
109.10135	60.1
110.10505	1.8
111.08070	3.6
111.11687	3.0
119.08572	31.2
121.06477	2.2
121.10120	53.9
122.10427	2.3
123.11694	21.0
125.09608	3.3
131.08534	5.7
133.10114	29.1
135.11674	32.4
137.13197	10.8
145.10120	6.7
147.11671	19.3
149.13226	25.9
151.14809	2.4
159.11671	9.8
161.13184	19.0
163.14796	25.5
163.16066	2.2
171.11729	2.0
173.13339	7.2
175.14804	15.9
177.16405	11.2
179.14388	3.3
181.15849	11.3
187.14848	6.1
189.16376	14.2
189.38145	1.9
190.24220	1.8
191.17920	53.3
191.19562	3.9
193.15938	7.6
195.17470	2.7
199.14757	2.9
201.16394	5.6
203.17918	32.7
203.19702	2.4
205.19472	10.9
207.17514	2.6
215.17886	3.7
217.19487	22.1
229.19510	3.8
231.21170	3.9
243.21056	4.4
245.22609	4.0
247.20648	3.5
255.21004	2.3
257.22754	3.7
261.22092	2.0
271.24219	3.8
275.23630	2.5
285.25861	2.2
289.25189	26.1
292.23700	2.5
293.23795	2.3
299.27420	2.5
301.25189	10.3
322.31183	2.9
385.30542	7.6
385.34714	62.5
386.30759	2.3
386.35388	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	385.3093
Annotation	SESQUICANNABIGEROL
Peak:m/z	Relative Intensity
52.05555	1.3
53.03927	2.0
55.01853	1.7
55.05503	18.3
55.51471	1.3
57.02956	1.5
57.07060	3.6
59.04993	1.6
65.03943	1.5
67.05165	1.9
67.05499	25.3
68.05811	2.6
69.03416	2.5
69.07063	19.4
71.04988	2.0
71.62631	2.0
73.90439	1.4
79.05475	12.4
81.07050	38.6
82.07366	1.9
83.04967	4.7
83.08607	11.0
85.02876	3.5
85.06529	4.9
91.05475	15.1
93.07036	31.0
94.07370	1.6
95.04952	4.1
95.08596	66.3
96.08939	1.5
97.06508	2.7
97.10139	6.1
98.26057	1.2
99.04408	3.9
101.06001	4.0
103.93664	1.7
105.07008	22.2
107.08581	71.3
108.08907	1.5
109.06476	1.9
109.10142	36.0
110.10480	4.1
111.08075	2.6
116.32089	1.5
117.07030	4.1
119.07813	1.5
119.08568	43.4
121.06479	4.4
121.10129	58.9
123.08051	4.3
123.11700	11.6
125.09645	2.2
131.08525	7.3
133.10110	41.1
135.08124	3.6
135.11679	59.3
137.13229	5.2
143.08536	2.2
144.09221	1.4
145.10121	7.4
147.11664	23.6
149.09642	2.9
149.13261	13.8
151.07515	2.0
151.14786	2.1
157.10136	3.6
159.11673	10.7
161.09555	2.0
161.13274	11.2
163.11160	3.3
163.14832	6.0
167.10678	1.5
171.11705	3.0
173.11937	1.9
173.13190	7.9
175.11189	1.5
175.14807	22.7
177.12820	14.8
177.16365	100.0
178.16676	3.5
181.12259	3.5
185.13223	2.5
186.93469	1.5
187.14809	4.6
189.12805	3.3
189.16357	65.6
190.16684	2.4
191.14345	3.8
191.17921	17.6
193.12216	2.8
195.13797	27.1
199.14883	1.8
201.16359	2.0
203.17934	27.8
205.12221	3.8
205.19583	1.5
207.13814	8.4
209.15329	6.9
213.16225	1.6
229.19598	2.3
247.16939	2.4
261.18411	2.5
315.23242	2.6
367.26172	3.1
367.30157	3.4
385.08859	2.9
385.24069	8.3
385.25333	6.3
385.31033	68.5
386.31277	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	385.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.9
55.01851	3.5
55.05495	3.7
57.03416	2.9
57.07050	1.2
61.02908	2.6
61.12038	1.0
63.62830	1.2
64.59697	1.0
67.05484	2.3
68.50272	1.1
69.03417	15.9
69.07058	3.0
70.94198	3.6
71.04981	2.5
78.03431	1.2
79.05470	3.1
79.05899	1.2
81.03404	5.4
81.07053	4.3
83.04965	6.8
83.08598	3.2
85.02896	31.4
90.22943	1.1
91.05463	4.3
93.07021	11.7
95.04948	3.2
95.08592	3.3
97.02880	7.6
97.06501	1.6
99.04444	2.2
105.07013	8.2
106.02884	2.1
107.04961	2.3
107.08583	11.5
109.02841	3.0
109.06512	2.9
109.10141	1.6
111.04439	1.2
117.07007	3.2
119.08582	7.9
121.06495	23.3
121.10107	5.4
123.04461	1.5
123.08087	6.9
124.03928	3.7
125.76775	1.1
127.03922	5.4
131.08545	3.7
133.06519	1.9
133.10115	6.2
135.04443	1.4
135.08038	9.4
135.11670	5.8
137.05984	2.0
137.09612	3.9
143.08589	1.1
144.09271	2.7
145.04962	3.6
145.06476	1.6
145.10068	3.3
146.07297	1.2
147.08020	2.1
147.11687	1.8
149.05959	7.2
149.09619	2.2
149.13231	3.2
159.11674	16.8
161.05920	1.6
161.09601	6.6
162.10381	2.9
163.07420	1.6
163.11154	9.7
167.07022	5.0
172.08881	2.0
177.12729	65.2
178.13081	1.9
179.10655	11.0
187.11177	4.8
189.12689	1.9
203.10698	1.4
205.12216	100.0
206.12601	3.4
207.13783	8.8
217.08640	2.1
223.13266	85.8
224.13550	2.5
233.11813	1.5
385.13654	1.8
385.18283	8.2
407.86740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01853	1.5
55.05494	3.4
56.67852	1.2
57.03415	3.6
59.04989	1.1
61.02896	4.8
67.05482	2.5
69.03418	16.4
69.07045	2.0
69.55237	9.7
71.04977	3.1
71.23693	1.1
73.02882	2.1
79.05466	3.4
81.03387	5.4
81.07035	5.1
83.04967	7.0
83.08605	5.4
85.02887	32.5
91.03950	1.6
91.05457	5.3
93.07015	12.3
94.22906	1.3
95.04934	3.6
95.08596	3.0
97.02888	8.6
98.61148	1.1
99.04449	2.8
105.03350	5.1
105.07010	8.2
107.04875	1.3
107.08583	12.2
109.02852	3.5
109.06489	3.1
109.10144	1.5
117.06992	3.0
119.08568	9.4
121.05633	2.1
121.06486	26.5
121.10082	5.8
123.08036	5.3
123.11643	1.4
125.61212	1.3
127.03893	5.0
131.08525	3.7
133.06448	1.5
133.10106	3.9
135.04367	3.3
135.08012	7.2
135.11707	7.6
137.05927	2.6
137.09595	3.5
144.09315	2.5
145.04930	5.5
145.06497	1.4
145.10091	3.6
147.08012	2.6
147.11598	1.9
149.05957	6.0
149.09599	3.7
149.13257	2.5
151.07523	2.0
159.08038	1.7
159.11674	15.6
161.09602	4.6
161.13225	1.5
162.10396	1.8
163.07434	2.8
163.11124	10.6
167.07047	6.4
172.08818	2.1
175.07594	1.5
175.11142	2.5
177.12714	65.5
178.13133	2.3
179.10669	11.9
179.14282	1.5
187.11118	6.2
189.12735	4.1
205.12204	100.0
206.12624	2.0
206.14578	2.1
207.13789	15.8
217.08661	1.6
223.13248	88.9
224.13513	5.3
311.77734	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01855	2.5
55.05490	4.0
57.03410	4.1
59.04990	1.4
59.34217	1.1
61.02896	4.2
67.05479	1.3
69.03414	16.7
69.07052	2.6
70.97727	3.0
71.04970	2.4
79.05474	3.0
81.03411	7.8
81.07039	4.0
83.04958	4.6
83.08598	4.5
85.02891	32.5
91.03927	2.4
91.05450	5.4
93.07029	13.9
95.04942	4.1
95.08588	3.8
97.02876	11.6
99.04440	1.4
105.06998	8.7
106.02855	2.2
107.04936	2.1
107.08572	13.0
109.02857	4.7
109.06512	2.2
109.10140	2.5
111.04458	1.4
117.07003	3.3
119.08562	8.1
121.02895	1.6
121.06487	24.7
121.10120	7.7
123.04414	2.1
123.08054	4.6
124.03978	5.3
127.03880	6.0
129.06973	2.2
131.08556	4.8
133.10089	7.0
135.04379	2.2
135.08037	10.0
135.11646	6.2
137.05949	1.9
137.09595	2.9
139.03882	1.8
143.08521	1.4
144.09346	3.5
145.04913	6.1
145.10098	4.2
146.07278	1.1
147.07991	1.5
147.11650	1.3
149.05983	7.8
149.09583	3.4
149.13260	3.4
151.07553	1.6
151.11183	1.8
153.09090	1.0
159.11673	12.8
161.05940	1.9
161.09604	6.1
162.10378	2.8
163.07506	3.0
163.11154	10.2
163.47990	1.3
165.12784	1.2
167.07036	3.1
172.08801	1.9
175.07449	1.5
175.11177	1.4
177.09286	1.9
177.12717	69.8
178.13115	2.3
179.10645	10.7
187.11179	5.4
189.12790	2.3
203.10640	1.4
205.12207	100.0
206.12497	4.2
207.13731	9.7
208.07161	1.0
217.08504	1.3
223.13243	86.2
224.13544	3.6
233.11644	1.5
268.08105	2.2
336.58417	1.2
367.11975	2.0
367.16992	1.1
385.18292	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	385.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07126	1.9
53.03918	5.1
55.01853	9.4
55.05487	9.8
56.96542	3.3
57.03413	9.7
59.04995	18.9
60.04523	2.2
61.02904	7.4
65.03944	2.6
67.05482	4.8
69.03418	24.3
69.99765	11.5
70.06564	2.9
71.01324	2.7
71.04980	17.1
73.02886	4.5
73.06542	18.5
74.88641	2.3
79.05482	2.9
81.03394	11.4
83.01314	2.8
83.04959	8.6
85.02415	4.1
85.02888	50.2
87.00809	2.6
87.04459	17.9
89.06020	75.9
91.05470	4.9
93.07009	3.1
95.04966	4.2
97.02882	30.2
98.20831	2.5
98.97542	4.8
99.04414	6.2
101.02366	4.6
101.06001	35.7
103.05435	9.5
105.05479	10.5
105.07012	19.6
105.33237	2.4
107.04905	5.2
109.02885	11.6
111.04385	3.3
115.05443	9.5
116.98629	2.8
117.06986	2.6
119.03394	4.9
119.04896	4.3
119.07023	11.1
121.02847	3.5
123.04395	5.2
127.03890	31.9
129.06993	2.9
131.04904	28.3
133.04932	4.0
133.06471	21.0
134.02676	2.7
135.06519	14.1
136.06190	3.5
139.03886	5.4
141.06967	6.0
143.03336	3.4
143.04880	3.0
145.04930	17.2
145.06429	6.0
146.03653	3.1
147.04404	4.4
153.01793	9.4
155.04886	3.0
155.07013	5.2
157.02771	2.4
157.06462	5.7
158.07201	2.6
159.04411	5.5
159.07921	2.5
160.05148	3.0
161.05966	45.4
163.05969	3.8
167.06982	15.2
168.05682	3.1
169.06407	12.3
171.04390	6.3
172.05141	3.8
173.05957	7.0
175.03839	4.9
176.04633	2.8
177.05417	4.4
180.07729	5.4
181.04941	5.2
183.02933	2.4
185.05998	7.3
186.06732	5.8
187.03909	14.0
187.07512	7.1
189.01897	2.9
189.05438	15.4
190.06169	4.6
191.07014	27.7
193.08562	23.0
194.04492	8.1
195.04735	6.9
197.05937	12.0
197.07809	2.4
199.03876	4.0
201.05576	3.7
203.03336	5.6
203.07045	4.5
204.04155	13.1
205.08604	4.4
206.04442	3.3
207.06560	6.4
213.05476	5.3
214.06152	5.5
215.03658	2.8
215.06989	10.3
217.04951	7.8
217.08572	4.5
218.05504	5.8
219.06480	19.8
221.08121	3.6
222.03862	16.8
223.04227	25.9
229.08534	8.1
231.06430	8.5
231.08582	3.2
233.08070	4.8
235.06158	3.1
243.06468	11.3
245.04382	8.5
245.08144	4.5
247.05865	2.6
247.09604	10.6
249.09792	3.1
249.75792	2.6
251.09096	6.0
253.07346	3.2
257.08041	17.4
259.05890	3.2
260.06787	28.2
261.07391	5.7
262.04797	3.7
263.05429	3.1
273.07498	8.6
275.09082	100.0
276.09512	3.4
277.07022	17.2
287.05276	11.5
291.08694	2.7
301.07230	5.7
319.08215	16.0
337.09094	9.8
349.14761	3.3
367.14920	3.5
385.11411	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	385.031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96512	0.6
65.10962	0.2
66.59417	0.2
69.42135	0.9
69.42559	1.5
98.97568	5.6
101.00819	0.7
107.70540	0.2
115.19400	0.2
116.98608	6.0
117.00418	0.2
119.01147	0.3
119.01911	5.4
134.99657	3.4
137.02934	2.0
153.00684	1.0
158.01163	0.2
158.99800	0.5
165.99535	0.3
177.00928	13.1
178.01091	1.2
179.00781	0.3
193.04095	0.4
195.02037	0.3
199.02979	0.3
200.02654	0.3
201.00893	0.7
217.04099	2.6
219.01982	22.7
220.02065	2.7
221.01764	0.4
225.00768	3.2
228.42719	0.2
234.99811	0.6
235.99925	0.4
236.99753	0.8
240.98782	0.4
242.03722	0.4
243.01939	6.2
244.02100	0.4
258.99838	3.3
259.99933	1.1
260.04709	0.4
261.00131	3.4
261.03024	100.0
262.00256	0.4
262.03162	10.2
263.03046	0.9
264.99069	0.3
266.03705	0.3
277.00836	5.5
278.01016	2.1
279.00662	6.6
280.00983	0.5
282.99887	2.4
284.00052	1.3
284.04654	4.1
284.99808	3.0
285.04849	0.6
285.99982	0.7
301.00998	5.9
302.01089	3.1
303.00848	5.2
304.00946	1.9
305.00848	0.5
319.02045	0.4
319.98828	0.4
325.01141	0.8
326.01291	0.4
343.02103	2.2
344.02274	0.8
361.00162	0.8
361.03055	0.7
361.99759	0.4
367.01981	1.9
379.02469	0.5
385.03210	15.6
386.03467	1.9
403.04633	18.9
404.04562	3.3
408.04691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15494	1.6
55.01857	2.4
56.04993	2.0
57.03406	3.9
57.89182	1.2
58.81269	1.4
61.02899	5.1
69.03424	9.2
70.06553	3.2
71.04957	1.8
71.60096	1.7
71.60429	1.9
71.81746	1.3
72.04501	1.6
73.02881	5.3
81.03391	4.2
85.02411	2.3
85.02891	25.0
86.06025	1.7
90.05527	4.1
94.23083	1.3
94.77737	1.4
97.02895	8.3
98.97588	2.4
99.04434	2.0
107.04958	2.4
109.02834	1.4
114.05502	2.3
116.07023	2.8
119.01853	4.1
120.01982	1.5
121.02817	1.6
127.03947	8.3
131.01869	1.8
131.06876	1.6
133.03448	2.0
136.06090	3.6
138.05501	2.1
143.01865	1.8
145.04922	4.7
158.07971	2.1
159.06319	1.8
160.05988	3.0
161.01392	1.5
161.02916	5.4
162.03111	1.3
162.07712	3.7
168.99951	1.3
173.02960	2.6
174.03102	3.9
175.02632	1.5
177.00583	1.9
185.02911	2.0
186.07495	1.7
191.03864	2.2
192.05243	1.8
193.05417	1.5
200.04430	3.1
203.07899	1.6
204.08629	8.3
209.04897	1.5
213.03229	1.6
222.03932	2.3
222.09538	2.8
234.05998	1.7
238.05321	18.8
240.06812	3.6
245.05113	2.8
252.07227	11.2
261.08441	1.4
263.06247	2.4
264.06155	3.2
281.06848	1.5
304.10159	2.4
309.08014	1.7
366.10580	2.0
384.08130	100.0
385.08322	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	383.3302
Annotation	17-(4-cyclopropylidene-1-methyl-butyl)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Peak:m/z	Relative Intensity
55.05500	8.6
55.08040	1.4
57.07063	6.4
60.68314	1.6
67.05492	10.1
68.99855	1.6
69.07053	12.9
71.04975	4.0
71.08614	3.8
71.58140	1.5
71.63564	1.9
71.63984	2.7
79.05475	8.1
81.07048	29.9
83.04948	1.8
83.08617	6.3
85.06531	28.2
85.10161	1.9
91.05482	6.5
93.07034	19.3
95.04978	1.7
95.08590	43.5
97.10161	5.7
105.07022	35.7
107.08575	27.4
109.06554	2.1
109.10132	24.5
117.06996	2.0
119.08566	37.2
119.09343	3.0
121.10132	21.0
123.11710	10.7
125.09632	2.8
131.08601	4.0
133.10118	20.2
135.11670	17.6
137.13255	4.7
143.08560	2.1
145.10063	10.7
147.11679	16.7
149.13231	18.2
151.14812	2.7
157.10143	4.6
159.11668	20.8
161.13237	47.4
163.14792	25.1
171.11693	3.1
173.11938	1.9
173.13188	8.7
175.14795	28.6
177.16376	5.6
179.14285	5.0
183.13982	1.5
185.13188	3.6
187.14867	9.8
189.16365	20.9
191.14308	2.1
191.17938	18.9
193.15924	6.6
199.14780	2.4
201.16342	18.0
203.17924	35.8
204.18279	2.9
205.19572	1.8
213.16223	4.3
215.17967	9.0
217.19557	14.2
219.17476	3.7
221.19011	3.9
227.17943	4.6
229.19566	4.5
233.18996	2.8
235.20514	4.5
241.19460	4.6
243.21097	2.4
245.19040	5.7
255.20996	3.7
259.20547	14.6
269.22638	2.3
273.22006	2.0
297.25464	1.9
365.28021	2.8
365.32166	13.4
382.12051	1.9
383.12897	4.5
383.33051	100.0
384.14264	2.4
384.33502	7.1
386.91910	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27539	2.0
55.05492	7.3
57.07060	8.7
59.40383	1.8
67.05483	18.3
68.99651	1.8
69.07058	12.1
69.54359	2.6
69.54762	16.0
70.65280	1.7
71.08609	2.7
79.05486	7.9
81.07048	71.3
83.08577	4.0
91.05473	5.8
93.07024	15.2
93.69160	1.9
95.04925	2.1
95.08595	100.0
96.08932	3.5
97.06535	3.8
98.21421	4.7
105.07011	7.9
107.08574	13.3
109.10142	28.4
111.11676	2.2
119.08572	12.1
121.10105	15.8
123.11679	23.2
131.08545	4.8
133.10081	10.2
135.11673	12.1
137.12155	4.6
137.13226	91.8
138.13594	2.7
145.10143	7.5
147.11693	4.0
149.13252	9.0
151.14784	9.8
159.11743	10.2
161.13225	9.0
163.14847	4.3
173.13214	4.9
175.14813	6.3
179.17996	2.9
187.14777	6.6
189.16367	3.7
201.16324	2.7
203.14391	3.0
203.17911	5.6
205.15825	5.4
205.19493	5.5
215.17970	13.1
231.17427	3.4
233.18954	6.6
241.19386	2.4
245.18941	4.3
259.20679	2.2
311.11087	1.9
344.83136	2.2
365.31976	5.1
383.11255	2.9
383.29318	5.6
383.33228	38.9
384.33493	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05306	0.5
55.05500	5.8
57.03426	0.7
57.07058	2.0
67.05497	11.0
69.07053	9.5
69.51849	5.2
71.04984	0.6
71.08616	0.6
77.03912	0.7
79.05489	6.1
81.07044	27.7
83.08605	4.6
85.06518	2.3
91.05461	11.3
93.06457	1.3
93.07027	19.0
95.04965	1.2
95.08591	28.7
96.08949	0.7
97.06496	1.2
97.10147	3.1
99.08084	0.7
103.05450	0.9
105.07014	100.0
106.07330	1.8
107.08577	25.1
109.06504	1.4
109.09444	1.2
109.10143	16.3
111.08074	1.3
111.11685	0.8
117.07012	2.0
119.08560	55.8
120.08932	0.8
121.10125	13.5
123.08054	1.0
123.11694	7.3
126.94016	0.7
129.06992	0.7
131.08548	4.4
133.09093	1.0
133.10114	18.9
135.07996	0.7
135.11676	16.1
137.13246	3.1
142.07700	0.8
143.08537	1.7
145.10097	6.9
146.10617	0.6
147.11671	15.2
148.11992	0.7
149.13232	9.2
157.10086	2.1
159.11684	9.4
161.13229	87.4
162.13594	3.1
163.11119	1.2
163.14801	10.0
165.12764	1.1
171.11713	1.8
173.11844	1.2
173.13202	4.5
175.13274	1.3
175.14796	25.0
176.15167	0.9
177.12682	1.1
177.16330	4.3
179.14258	3.7
185.13257	1.7
187.14821	4.3
189.16345	5.5
191.16194	0.8
191.17918	16.1
193.15971	0.7
199.14850	2.0
201.16386	4.6
203.17935	6.1
205.15782	0.9
207.17496	2.1
213.16428	2.0
215.17952	2.2
215.91594	0.7
217.19525	2.8
219.17352	0.7
225.16338	0.6
227.17909	1.4
229.19571	1.9
231.21080	1.1
233.19003	0.9
239.17969	0.9
241.19470	1.0
243.21138	1.1
245.32372	0.7
254.20320	0.8
255.21196	2.0
257.22977	0.7
259.20743	0.6
269.22546	3.3
273.22208	1.4
287.23767	1.8
295.24283	0.9
309.25687	0.6
326.25024	0.6
365.28131	1.3
365.32025	8.3
383.24744	1.8
383.29468	3.3
383.33173	41.8
384.33328	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80725	0.8
53.03929	1.3
55.05495	6.6
57.07070	2.3
64.95206	0.9
65.03945	1.0
67.05489	11.4
69.07053	8.4
69.67349	3.3
69.67752	1.9
71.08617	0.9
73.77316	0.8
79.05483	7.8
81.07044	28.2
81.07515	1.7
82.07349	0.9
83.08607	3.6
85.61452	0.8
91.05465	10.0
93.07025	23.2
95.04973	1.3
95.08591	29.1
97.06515	1.4
97.10159	1.8
98.21461	1.8
105.07011	100.0
106.07349	2.9
107.08573	24.7
109.10135	16.4
109.10813	1.3
110.10501	1.2
111.08076	1.1
117.07031	2.3
119.08563	54.1
120.08912	1.7
121.10126	17.6
123.08069	1.8
123.11697	4.2
131.08540	4.5
133.10104	21.3
133.11055	1.4
135.08130	1.7
135.11673	16.8
137.13252	3.6
145.10109	8.4
147.11665	15.7
147.12778	1.4
149.13237	9.4
151.14861	1.0
157.10162	2.0
159.11668	13.8
161.13229	91.9
162.13643	2.9
163.11189	0.8
163.14816	9.9
171.11635	1.4
173.11884	1.6
173.13194	4.4
175.14789	23.8
175.16226	1.2
177.12758	1.8
177.16318	4.0
179.14314	3.9
183.11748	1.0
185.13278	1.2
186.42650	0.8
187.14787	5.2
189.16373	11.7
190.16719	0.9
191.17915	17.3
191.19533	1.0
192.18268	1.2
199.14830	1.2
201.16383	6.2
203.17929	7.6
205.15962	1.6
205.19560	1.1
207.17401	2.4
213.16508	1.0
215.18018	3.1
217.19540	3.0
219.17445	1.2
219.21016	1.4
229.19582	1.9
243.21169	1.3
255.21179	1.1
286.55014	0.8
365.31961	9.7
366.32358	1.2
383.24762	2.4
383.29306	6.1
383.33215	42.5
384.33588	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.2
57.07059	4.5
64.89929	1.3
67.05499	28.0
69.03407	4.4
69.07059	18.5
69.64757	1.1
70.58821	5.1
71.04982	1.4
71.08598	1.3
79.05485	11.5
81.07047	36.9
82.07368	1.3
83.08592	9.8
85.06522	2.9
85.37967	1.1
91.05464	17.8
93.06460	2.5
93.07030	33.0
93.07614	1.7
95.04964	2.1
95.08592	59.2
97.10157	3.8
99.08102	1.3
105.07017	76.9
107.07848	2.8
107.08582	52.9
108.41444	1.5
109.06481	3.1
109.09444	2.6
109.10140	33.5
111.08086	2.9
117.07014	5.4
119.04968	1.9
119.08564	66.4
121.10126	98.8
123.08067	5.0
123.11674	11.8
126.29922	1.2
129.06990	2.6
131.08549	15.0
133.10115	55.0
135.11671	39.7
136.11981	1.7
137.13217	7.2
139.11136	1.5
143.08560	4.6
144.09300	7.4
145.10100	57.3
146.10640	1.1
147.04449	3.1
147.11668	30.0
149.09581	3.5
149.13248	19.6
151.11182	1.6
151.14790	1.8
155.08601	1.3
156.09369	1.8
157.10098	9.6
158.10950	3.3
159.11673	84.3
160.12405	1.7
161.09645	2.4
161.13239	54.7
162.91252	1.1
163.11179	8.3
163.14792	14.8
167.10669	6.0
169.10114	1.4
171.11688	7.7
173.11787	2.7
173.13228	25.8
175.11163	2.1
175.14804	25.4
177.12708	4.3
177.16360	3.8
179.14243	2.1
181.12166	9.8
183.11650	3.4
185.13239	9.8
187.14804	32.6
188.15413	1.8
189.16353	60.7
191.17926	10.5
193.12210	12.9
193.15866	1.7
195.12123	1.5
195.13739	7.3
197.13194	2.9
198.13890	1.4
199.14697	7.7
201.16351	45.2
203.17944	27.4
207.13811	1.6
207.17543	3.0
211.14757	4.6
212.15546	1.3
213.16385	8.6
215.17940	14.1
217.19539	3.9
219.13766	1.7
221.15369	4.0
225.16370	2.9
227.17914	4.2
233.15367	2.2
235.17029	1.5
239.17928	1.8
241.19482	3.8
247.16928	3.6
253.19508	2.3
255.21033	2.2
259.86844	1.4
263.76657	1.4
267.21051	2.1
269.07709	1.8
273.18472	3.0
281.22620	2.1
287.19986	2.6
296.24976	3.4
299.20081	1.5
313.21585	2.6
337.28772	3.8
347.27353	1.9
365.28067	6.2
365.32104	3.6
383.07101	1.6
383.24695	4.0
383.29352	100.0
383.33231	16.6
384.29663	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	383.2572
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03921	6.5
55.05488	14.1
57.07053	14.1
59.04978	8.2
67.05496	63.5
69.03406	18.1
69.07050	21.0
71.04959	8.3
71.62502	4.6
79.05493	29.2
81.03404	5.3
81.07043	49.7
83.04975	6.4
83.08585	10.4
85.02841	3.5
85.06515	10.5
87.89361	3.5
88.38828	3.6
89.82959	3.6
91.05461	42.5
92.12416	3.1
93.06460	6.1
93.07034	100.0
94.11974	3.1
95.04976	26.0
95.08593	54.8
97.06512	9.6
97.10168	3.9
105.07015	82.1
107.08575	63.8
109.06508	23.7
109.10146	56.0
111.08056	13.9
115.05420	4.9
117.06998	11.1
119.08553	75.5
121.06466	17.5
121.10130	58.5
123.08081	27.5
123.11702	10.8
124.99445	3.6
128.06174	10.2
129.06984	8.9
131.08560	36.7
133.06473	11.8
133.10121	45.5
135.08018	25.3
135.11719	17.9
137.09573	12.8
142.07776	24.4
143.08517	22.6
144.09285	3.6
145.10098	43.1
147.08023	29.2
147.11687	25.9
148.08812	4.7
149.09593	29.1
149.13219	7.1
151.07521	42.1
153.09148	5.5
155.08504	4.6
156.09285	7.3
157.10121	35.1
158.10925	4.3
159.08000	10.5
159.11656	27.8
161.09607	24.1
161.13210	17.5
163.11111	19.6
163.14810	5.1
165.09084	45.8
169.10114	8.3
170.10822	9.0
171.11685	15.0
173.09601	11.0
173.11719	8.4
173.13194	11.0
175.11145	22.6
175.14783	17.9
177.09050	10.0
181.10045	5.5
183.11688	8.3
185.13309	20.7
187.11209	5.9
187.14841	5.6
189.12677	12.0
189.16345	14.3
191.14275	6.3
193.12166	5.2
197.09445	4.4
201.12675	7.5
201.16373	5.4
203.14311	33.8
207.11691	5.7
207.13777	10.3
209.13345	7.2
209.15227	4.7
213.12737	5.3
213.16446	6.3
219.13744	5.7
221.13673	3.6
221.15334	94.0
225.16245	5.5
227.14243	7.8
227.17957	4.1
233.15245	5.2
234.16075	13.8
243.13850	4.8
281.18893	5.8
286.19046	4.9
287.20111	7.1
299.20258	5.2
303.19543	8.1
340.90695	3.6
365.24548	12.3
365.28397	7.3
366.24911	4.0
383.07788	4.2
383.25476	97.4
383.29453	19.0
383.33307	10.1
384.25992	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	383.2573
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03936	5.5
55.01860	9.4
55.05503	17.5
57.03441	3.4
57.07061	9.0
59.04980	7.0
65.03938	3.7
67.05495	86.8
69.03430	12.6
69.07052	18.9
70.78685	6.4
71.04991	11.0
72.82043	1.8
79.05482	28.5
81.07052	64.2
83.04953	5.4
83.08611	14.4
85.06521	13.0
87.77968	1.8
91.05466	41.0
93.07031	86.1
95.04966	20.9
95.08596	67.0
97.06499	14.9
97.10159	3.3
99.97654	2.0
105.07018	71.5
107.07853	3.1
107.08578	66.1
109.06506	17.0
109.10146	100.0
111.08068	38.4
111.37061	2.1
113.09650	2.6
115.05478	3.6
117.06998	10.3
119.08573	60.7
121.06496	10.7
121.10128	50.0
123.08054	21.1
123.11699	12.3
125.09610	5.3
128.06224	6.6
129.06981	7.6
130.07785	3.9
131.08543	20.4
133.06461	4.5
133.10114	45.7
135.08029	15.9
135.11658	17.2
137.05939	3.5
137.09570	15.7
137.13229	4.5
139.11197	2.8
141.06931	3.3
142.07780	12.0
143.08534	18.4
144.09329	4.2
145.06444	3.0
145.10100	40.9
145.11244	2.0
147.08006	14.5
147.11661	28.4
148.08830	2.5
149.09589	16.7
149.13232	12.9
151.07535	19.1
151.11214	3.4
155.08510	4.7
155.10628	4.1
156.09360	7.1
157.10120	30.4
159.08060	4.7
159.11665	24.0
161.09616	15.7
161.13260	20.6
163.11139	12.5
163.14836	6.1
165.09108	20.7
165.12718	12.8
169.10088	7.5
170.10944	4.4
171.11656	9.8
173.09660	8.3
173.11719	19.9
173.13249	17.8
175.11159	14.9
175.14815	14.1
177.09119	7.0
177.12665	2.9
177.16422	2.8
179.14287	7.4
181.10117	2.4
181.12245	3.4
183.11649	5.2
185.13228	16.4
187.11147	4.8
187.14807	13.5
189.12790	7.1
189.16335	6.0
191.17924	3.1
193.10172	3.2
193.12248	2.4
193.15840	4.7
194.10667	2.6
195.11702	2.5
196.64252	1.9
197.13258	6.7
199.11311	2.1
199.14827	6.9
201.12735	6.5
201.16406	8.4
203.14265	21.2
203.17897	8.2
205.15872	4.7
207.11819	1.9
207.13828	6.3
209.13351	4.3
209.15370	4.7
211.14761	5.9
213.12729	2.7
213.16423	3.8
215.14261	8.2
215.18021	4.7
216.14902	2.0
217.19519	3.5
219.13751	3.7
221.13339	2.8
221.15314	52.8
222.15573	2.1
223.15105	2.2
225.12860	2.1
225.16342	2.6
227.14249	6.3
227.17984	2.9
229.12247	2.7
229.15854	2.8
229.19376	2.7
231.21230	2.1
233.13039	2.2
233.15350	2.7
234.16141	8.7
241.15865	2.6
241.19498	4.7
247.16977	3.2
249.16350	2.4
255.21075	3.6
271.20444	3.2
273.22070	3.8
274.19342	2.1
275.23633	3.8
281.18927	3.4
287.19888	5.5
299.20084	5.3
301.25137	4.8
303.19531	7.3
309.18448	2.7
365.24353	11.3
365.28522	4.5
365.32196	2.2
369.98077	2.2
383.25409	64.3
383.29431	6.8
383.33344	47.9
384.25720	4.5
384.33511	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
53.36722	0.5
55.05502	9.4
57.03425	1.8
57.07058	1.1
59.04987	3.3
64.65238	0.5
65.03922	1.6
67.05492	100.0
68.05809	0.9
68.76360	0.5
69.03427	0.7
69.07058	3.1
71.04984	3.4
71.61996	0.5
72.73784	0.5
79.05479	2.8
81.06567	0.9
81.07040	16.5
83.04964	0.6
83.08608	5.8
85.06525	3.0
87.04442	0.4
91.05473	7.6
93.07019	5.0
95.04959	1.1
95.08588	9.7
97.06532	0.7
97.10159	0.5
105.07024	2.2
107.08560	5.0
109.06525	0.7
109.10137	78.9
110.10475	1.2
111.08044	3.3
117.07027	0.7
119.08577	8.4
121.10105	2.3
123.08072	0.4
123.11708	1.3
131.08519	0.7
133.10106	2.1
134.07950	0.5
135.11694	1.0
137.09601	3.9
145.10138	1.9
147.11682	1.6
149.09654	0.6
149.13214	0.8
155.10651	4.0
157.10112	0.7
159.11682	2.5
161.09634	0.4
161.13316	0.9
163.14789	0.9
171.11696	0.8
173.11717	28.1
173.13184	2.2
175.11221	0.7
175.14771	3.1
183.11649	0.8
187.14810	1.2
189.16371	1.4
195.13777	0.6
199.14877	1.0
201.16356	2.1
203.17784	0.6
207.13829	0.7
211.14960	0.6
219.47020	0.4
225.81976	0.5
229.14262	0.6
365.28381	1.3
383.24313	53.6
383.29404	7.8
384.24493	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	383.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.0
55.01858	10.3
55.05505	21.4
55.98569	2.6
57.03440	12.6
57.07068	5.4
59.05001	3.3
61.02919	7.9
65.03931	2.8
65.13686	2.6
67.05160	4.5
67.05498	47.0
69.03428	23.0
69.07058	23.2
69.28703	31.6
71.04985	9.8
73.02898	6.6
78.35332	2.2
79.05482	35.4
81.03407	21.8
81.07047	85.4
83.04972	22.3
83.08608	11.1
85.02892	45.5
85.06526	8.1
91.05468	33.0
93.07040	76.3
95.04960	33.8
95.08595	100.0
97.02886	19.0
97.06541	13.4
97.10153	9.9
99.04445	12.5
99.08051	3.1
103.03946	12.1
103.05438	14.1
105.07016	54.2
105.07669	4.5
107.04940	7.4
107.08588	63.4
108.14526	2.4
109.02857	5.0
109.06497	20.6
109.10143	56.6
111.04427	14.9
111.08072	7.3
111.11751	3.8
115.03927	5.1
115.05489	2.9
117.06979	12.7
118.06584	2.8
119.04983	4.9
119.08569	45.2
121.06499	25.8
121.10129	47.1
123.04381	7.7
123.08073	13.7
123.11685	26.0
125.05960	12.7
125.09550	4.4
127.03903	11.9
129.05453	4.2
129.06979	10.6
131.04883	25.8
131.08562	32.1
133.04991	2.9
133.06500	9.0
133.10109	43.3
135.08008	13.5
135.11658	23.6
137.05966	47.7
137.09587	14.7
137.13159	5.0
139.07520	4.4
139.11162	3.5
141.05495	4.0
141.06982	4.8
142.07779	3.3
143.08554	20.3
144.08073	3.9
145.05002	5.7
145.06470	9.3
145.10114	41.8
146.05988	9.5
147.08026	6.9
147.11667	38.7
149.05965	11.3
149.09621	7.8
149.13278	10.1
151.03893	5.5
151.07504	24.4
151.11166	5.4
152.14322	9.6
155.08533	6.6
156.09352	3.8
157.10114	21.1
159.08066	8.9
159.11673	25.4
161.05965	54.9
161.09605	6.3
161.13263	23.9
163.07498	14.1
163.11241	6.1
163.14807	5.6
165.09143	3.3
167.07010	8.6
167.08517	4.0
169.10086	5.4
171.08076	3.9
171.11641	11.9
173.09595	4.8
173.13223	12.6
175.07529	8.3
175.11281	4.8
175.14836	9.9
177.09155	5.0
177.12756	2.9
177.16359	7.8
179.14296	5.9
181.10054	5.6
183.11703	7.1
185.08096	5.9
185.13298	13.0
187.07539	11.5
187.11244	3.9
187.14783	17.7
188.07083	10.4
189.05434	3.6
189.09090	4.1
189.12740	3.5
189.16351	56.8
195.11700	5.9
196.16988	6.6
197.09612	3.5
197.13206	5.9
199.11208	2.9
199.14822	6.4
201.05611	3.5
201.09143	4.8
201.12674	4.4
201.16354	26.9
203.07100	2.8
203.09081	6.0
203.14374	5.4
203.17921	33.9
205.15894	17.1
207.11769	2.9
207.17441	5.5
213.12735	3.3
213.16299	19.6
215.17944	28.1
217.15918	4.3
217.19427	15.1
219.08032	3.6
219.17407	3.7
221.15414	5.5
221.18973	16.7
223.14917	3.6
225.16344	7.6
227.17932	17.0
231.17413	18.1
239.17953	5.2
241.19568	3.0
243.17542	5.4
245.15384	3.2
245.19014	40.8
247.07494	4.1
248.08246	2.9
255.17497	3.7
257.18945	4.2
259.20563	3.7
261.18622	3.3
263.10602	3.4
263.20032	21.5
265.19415	3.9
269.19003	7.2
275.06921	3.5
275.20157	3.8
276.07715	2.9
287.10745	2.9
287.20074	11.0
291.10049	4.6
293.07843	3.1
293.18887	4.3
299.16925	4.6
299.19968	18.5
311.19965	14.9
317.21262	13.0
323.12701	4.1
329.21075	33.4
339.12259	2.8
339.20490	5.7
347.12766	8.6
347.22086	32.7
347.25858	3.5
351.12128	7.5
365.13821	23.5
365.23273	37.9
383.11072	4.3
383.15073	40.0
383.23947	76.2
383.27802	43.6
384.23978	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01852	12.8
55.05499	26.9
57.01849	4.1
57.03426	15.3
57.07054	5.6
61.02909	14.7
65.03922	5.6
67.05487	32.9
69.03423	53.2
69.07065	31.7
70.82475	4.0
70.82811	12.3
71.04988	51.2
73.02908	8.6
78.43411	3.8
79.05480	27.7
81.03407	28.9
81.06569	7.1
81.07045	100.0
81.49302	4.1
83.04972	18.9
83.08607	16.6
85.02889	54.8
85.06530	7.4
91.05457	38.9
93.07033	78.2
95.04958	34.2
95.08593	66.0
97.02883	21.5
97.06526	15.2
97.10162	6.0
99.04443	13.4
99.08071	7.9
100.11212	5.8
101.05985	7.7
103.03932	13.4
103.05426	8.3
105.07014	86.8
107.04937	10.9
107.08584	78.9
109.02854	12.5
109.06496	24.1
109.10136	62.5
111.04436	17.7
111.08064	13.3
115.03885	7.9
115.05386	5.4
117.07004	14.9
119.08566	90.8
121.06485	9.1
121.10137	68.2
123.04394	7.5
123.08074	23.8
123.11661	29.8
125.05975	8.0
125.09592	18.3
127.03910	9.5
127.11155	37.9
128.06169	7.2
129.05452	6.3
129.06964	14.3
130.07782	6.0
131.04927	6.0
131.08559	40.4
133.06418	6.9
133.10121	69.0
135.08025	12.5
135.11671	50.4
137.05946	27.7
137.09607	16.2
137.13243	11.5
139.07513	9.9
139.11162	4.2
141.05472	4.8
141.06972	5.3
142.07704	6.1
143.08548	23.5
143.10582	5.4
144.05598	4.8
145.06438	5.0
145.10123	52.1
147.08009	13.9
147.11656	67.2
149.09567	10.7
149.13255	14.3
151.07507	10.8
151.11111	8.7
153.05467	7.6
153.12727	13.1
155.08560	11.8
157.06442	8.5
157.10098	31.2
159.08009	10.7
159.11674	59.9
161.05975	18.4
161.09566	8.7
161.13232	35.0
163.11192	14.3
163.14743	9.9
165.09088	5.3
165.12694	9.1
167.07034	4.6
167.08571	4.3
169.10124	11.7
171.08040	6.7
171.11728	20.3
172.08783	7.7
173.09653	9.0
173.13248	17.6
175.07463	4.7
175.11237	13.0
175.14825	18.4
177.09062	7.3
177.12776	12.9
177.16306	7.9
179.10689	6.0
179.14282	11.0
181.08554	5.5
181.10088	4.9
183.07996	5.1
183.11673	15.8
183.39107	3.7
185.09541	4.7
185.13232	7.7
187.07497	5.8
187.11230	6.6
187.14786	9.1
189.09082	8.3
189.12759	7.2
189.16342	26.0
191.14304	7.0
193.15858	12.5
195.11710	8.4
197.13208	11.4
199.14832	9.8
201.09041	4.4
201.12726	13.7
201.16360	19.6
203.14333	9.7
203.17947	42.6
205.15735	4.7
207.09993	6.0
207.11707	5.5
208.12817	4.8
213.12773	7.7
213.16348	10.0
215.14262	5.1
215.17958	8.7
217.10588	9.8
219.07942	4.2
219.17389	9.7
221.15338	9.7
221.19069	11.4
223.14731	6.3
225.12770	5.6
227.14198	4.7
227.18010	9.6
231.07968	4.5
231.17416	5.8
233.18950	14.0
241.15926	6.2
243.17509	6.8
245.18997	17.9
247.07463	5.8
247.42709	4.5
255.17567	4.6
257.18924	6.6
260.84009	4.5
261.14853	6.0
263.20071	8.2
269.18951	4.0
271.12173	4.8
275.20236	4.4
276.07651	6.5
279.15735	5.7
287.20123	11.3
291.10092	8.6
293.18771	7.4
299.20071	4.7
305.08145	4.1
305.20901	5.6
311.19989	12.2
317.21283	5.6
319.09818	5.6
322.08267	5.1
323.12717	6.4
329.21024	18.8
337.10614	8.3
347.22159	21.8
351.12177	21.5
365.13782	12.3
365.23267	23.8
368.12320	6.2
383.11084	7.5
383.14978	55.1
383.24368	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.0
53.49839	1.7
55.01867	4.6
55.05501	13.1
57.03424	7.6
57.07067	100.0
61.02919	3.0
67.05488	2.4
69.03058	3.1
69.03410	24.3
69.07066	2.5
69.48517	16.5
70.06573	5.6
71.04984	23.6
73.02898	2.2
74.72751	1.9
77.47683	1.9
79.05497	2.9
80.63946	1.6
81.03416	19.8
81.07046	4.6
83.04963	20.1
85.02892	50.7
85.06532	20.8
91.05470	4.1
93.07036	5.6
95.04935	5.0
95.08594	3.1
97.02863	17.6
97.06515	1.9
98.21585	2.1
99.04438	3.8
101.06004	55.4
101.06671	3.1
103.07566	22.7
105.07024	6.3
107.04927	2.3
107.08569	4.6
109.02865	14.4
109.06525	2.0
109.10117	2.2
117.07040	2.8
119.07057	17.2
119.08569	7.3
121.06469	4.1
121.10104	4.2
123.08036	3.9
123.11703	2.2
127.03896	29.3
133.10095	4.9
135.08034	3.1
137.05966	3.5
137.08075	46.8
139.03944	1.9
143.08397	1.9
145.04961	7.5
145.08606	2.6
145.10109	2.3
147.04393	2.1
147.07991	3.7
147.11630	2.3
150.86327	2.0
159.55717	2.0
161.09616	5.0
166.08672	4.2
171.09305	1.9
175.14793	2.7
177.12723	2.2
181.04915	3.0
189.12778	2.4
195.63506	2.2
203.10574	3.0
203.14299	35.2
203.17924	2.6
205.12190	3.1
221.09450	2.9
221.11699	4.5
222.11307	3.6
224.09390	1.9
229.10597	14.8
238.05290	4.9
247.07822	2.0
247.11745	46.8
247.14297	4.3
248.11990	2.1
275.13873	10.0
293.08215	2.3
323.12378	2.1
347.16797	3.5
365.17093	3.5
366.12601	5.6
383.14886	13.5
383.20517	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	383.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
56.91058	1.1
57.03415	4.4
61.02908	4.0
61.26981	1.2
64.12881	1.2
69.03425	11.3
70.00092	7.5
70.02916	1.3
73.02906	2.1
74.02415	2.1
81.03403	8.2
82.02937	1.8
85.02890	35.5
94.06559	3.8
97.02898	8.3
98.21502	1.6
99.04490	1.9
103.03918	1.8
109.02872	4.7
118.06541	7.2
120.08109	1.3
127.03887	5.1
129.06966	1.2
130.06505	70.9
131.06909	1.8
132.04430	19.7
132.08058	7.5
142.06543	1.6
143.07275	2.0
144.06927	1.6
144.08054	26.2
145.04987	2.1
145.07585	21.2
146.05992	12.0
148.07579	6.3
154.06497	5.6
156.06798	1.9
156.08058	3.0
157.07581	67.1
158.05991	49.9
158.07991	1.8
159.09158	11.8
160.07562	5.6
167.07341	2.0
169.07591	8.5
170.06000	4.6
170.08270	2.1
171.06822	2.2
171.09186	8.5
172.07552	16.7
173.07089	1.6
174.05476	8.5
175.08649	64.9
176.07066	3.0
176.08965	1.6
181.07608	5.2
182.08363	3.7
183.09138	18.5
184.06059	1.8
184.07605	2.8
185.07047	15.5
186.05463	5.0
186.07870	4.2
187.08615	3.5
189.10287	1.5
190.08595	2.5
195.09081	1.9
197.07054	2.7
198.05611	1.8
199.08621	15.5
200.07047	21.2
202.07140	2.0
203.08122	100.0
204.06544	7.0
204.08397	3.4
207.09099	3.0
209.07088	8.7
210.09093	1.5
213.06549	1.7
215.08115	2.5
216.08900	4.1
217.09695	28.4
221.09175	40.5
222.09528	1.6
225.10182	1.3
227.06111	1.9
227.08078	9.4
228.06500	3.7
230.26567	1.2
231.07628	6.0
232.72383	1.3
237.10114	1.4
245.09152	20.7
246.07457	1.3
253.09383	1.4
257.09180	1.8
263.10233	40.0
264.10571	1.4
266.08078	2.0
274.10776	1.7
275.10239	1.8
284.09131	1.7
299.10254	4.7
301.11658	1.9
311.10352	2.4
329.11127	2.9
347.12296	8.8
348.10727	7.8
365.13379	25.6
383.14438	27.5
384.14667	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.6
57.03423	3.4
60.41862	1.2
61.02903	4.4
69.03415	12.7
69.86207	1.1
70.56010	3.6
71.04974	1.9
73.02914	3.4
74.02411	2.2
81.03397	12.0
82.02911	2.7
85.02892	38.0
94.06555	2.7
97.02881	11.0
98.97543	1.2
99.04441	3.3
99.78810	1.2
103.03910	2.3
103.90003	1.1
106.06523	2.1
109.02837	4.5
115.03910	1.8
115.05376	2.5
117.05760	1.7
118.06516	9.7
127.03909	5.6
130.06499	67.0
132.04437	16.2
132.08069	9.8
134.06012	1.5
140.04907	1.3
142.06494	3.5
143.07307	2.8
144.04449	2.0
144.06796	4.8
144.08044	28.3
145.05037	2.9
145.07571	29.4
146.06001	17.5
148.07574	6.2
149.07848	1.4
153.01826	1.7
154.06476	7.7
155.05986	1.7
156.06828	2.5
156.08081	5.1
157.07579	60.4
158.05986	51.1
158.08061	2.3
159.06418	1.3
159.09152	14.2
160.07535	6.7
166.06444	2.2
167.07288	1.6
168.08072	3.3
169.07568	19.1
170.06004	6.5
170.08301	9.8
171.09149	12.3
172.07509	13.8
173.07077	1.6
173.10707	1.7
174.05466	7.2
175.08646	60.2
176.06946	2.1
180.08156	2.4
181.07587	4.9
181.38681	1.2
182.06010	2.0
182.08276	5.6
182.09778	1.8
183.09154	25.1
184.06168	2.5
184.07594	4.5
185.07091	20.1
186.05473	5.6
186.07762	2.5
187.08575	7.9
188.07056	4.9
195.09200	2.3
196.07576	3.2
197.07101	3.9
198.05466	3.7
199.08640	10.4
200.07047	17.3
201.10246	2.8
202.07179	2.1
203.08121	100.0
204.06529	6.2
204.08514	3.4
206.08374	4.2
207.09149	11.0
208.07698	1.4
208.09874	3.4
209.07060	9.4
209.10742	2.5
210.09100	2.3
211.08661	2.0
213.06572	4.4
214.08656	1.6
215.08099	9.1
216.06543	3.3
216.08914	9.8
217.09679	27.8
219.09192	2.1
221.09160	60.4
222.09450	1.7
223.08679	2.1
224.07045	1.3
225.10069	2.4
226.08681	2.6
227.08081	13.6
228.06534	4.6
228.08600	2.1
231.07625	12.6
233.09155	2.2
235.08662	2.4
237.10197	2.9
238.08647	2.9
241.09894	1.5
245.09163	26.4
251.08064	1.7
252.51978	1.3
253.09731	1.7
256.09653	2.1
257.09119	9.6
263.10233	47.5
265.09506	2.0
266.08099	3.2
267.11243	2.3
269.09174	8.9
274.10794	5.5
275.10440	5.8
281.09192	2.0
283.10873	2.9
284.08981	1.7
285.12350	3.0
287.10242	4.8
292.11823	2.0
293.09186	2.4
299.10178	15.8
301.11804	3.6
302.09958	1.5
310.03113	1.2
311.10086	6.6
317.11288	2.6
319.12817	2.0
329.11255	16.2
330.09702	3.7
347.12323	64.9
348.10602	14.0
365.13382	89.2
366.13705	4.7
383.14450	59.5
384.14526	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32625	0.7
55.01865	0.9
55.05499	4.8
57.03426	3.2
57.07064	1.4
59.04988	2.3
60.04518	0.7
61.02911	2.3
61.49769	0.6
65.03917	0.7
67.05495	4.0
69.03420	8.6
69.07055	4.9
70.06594	1.1
70.07053	0.7
71.04979	9.5
71.61683	0.6
71.62128	1.0
73.02890	1.6
73.06508	0.7
79.05478	4.0
79.69757	0.6
81.03413	3.6
81.06638	0.9
81.07053	9.9
83.04982	6.6
83.06048	0.6
83.08624	0.7
85.02892	17.5
85.06521	2.4
86.09702	1.4
87.04452	1.4
87.08103	0.8
89.06015	5.7
91.03924	1.0
91.05450	2.1
93.07039	4.9
95.04959	4.1
95.08584	7.3
97.02871	5.5
97.06523	5.6
97.10155	1.0
99.04426	2.6
99.08065	0.8
101.05992	1.7
105.07020	1.8
107.08578	18.0
109.02826	3.0
109.06487	2.1
109.10134	14.7
109.10683	0.4
110.07158	4.8
111.04391	1.8
111.08039	1.5
113.02329	0.7
113.09618	1.1
115.07537	1.7
117.05455	2.6
119.08531	0.8
121.06465	0.7
121.10133	11.0
123.04436	0.6
123.08041	5.3
125.05965	1.6
125.09609	13.5
127.03912	4.9
127.11168	0.9
129.05408	0.8
131.06966	0.7
131.08525	1.2
132.04446	0.9
135.06512	1.2
136.08823	1.5
137.09589	13.4
139.11160	15.7
143.07051	1.1
145.04933	4.0
146.05980	0.7
147.07870	0.8
149.08568	0.8
149.09587	4.4
153.09076	2.6
154.56935	0.6
155.10638	8.8
157.12238	2.2
167.10652	46.5
168.11008	1.4
171.10106	4.3
178.04990	7.8
185.11710	31.7
186.12001	1.0
203.12755	100.0
204.13113	2.8
206.04471	1.8
220.06033	9.9
220.09529	0.9
227.11171	0.9
228.52184	0.7
234.99042	0.9
242.08177	1.3
249.07428	0.7
253.07355	0.7
335.41879	0.7
336.90091	0.6
365.31277	0.7
382.11237	0.9
382.20825	1.7
383.15573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22512	0.7
53.03951	1.4
54.01453	0.7
55.01857	1.5
55.05497	5.1
55.06684	0.7
57.03427	1.9
57.07070	1.7
59.04988	2.6
60.04529	1.0
61.02914	2.7
62.81247	0.9
65.87190	0.8
67.05476	4.2
68.12904	0.8
69.03418	9.1
69.07050	6.3
69.29338	0.7
69.57404	0.8
69.63378	3.4
69.63808	2.2
70.06559	0.9
71.04984	10.6
71.59909	0.7
74.49938	0.9
79.05482	5.9
81.03406	3.3
81.07046	9.6
83.04965	7.5
84.05315	0.9
84.08134	1.0
85.02419	1.4
85.02892	17.5
85.06529	2.1
86.09649	1.0
87.04476	1.5
89.06020	9.0
91.05466	2.3
93.07030	5.5
95.04961	3.5
95.08593	8.1
97.02885	6.6
97.06528	6.2
99.04441	1.6
99.08113	1.2
101.06004	2.4
103.05443	0.7
105.07018	2.1
107.04998	0.8
107.08579	20.5
107.09285	1.3
109.02886	3.0
109.06493	2.6
109.10128	13.8
110.07143	6.0
111.04408	1.7
111.08044	1.2
111.11711	1.7
113.02357	1.8
113.09652	1.1
115.02857	0.8
115.07543	2.7
117.05479	2.5
121.06480	1.3
121.10126	11.1
123.08068	6.4
125.05952	1.8
125.09602	11.3
127.03881	4.6
127.11221	0.9
131.07001	0.9
131.08591	1.1
135.06511	1.9
136.08885	1.5
137.09599	14.8
137.10591	1.6
139.11163	18.0
140.06956	1.2
141.09154	0.9
145.04909	5.4
149.09599	4.6
150.07771	1.0
153.09087	2.5
155.10663	8.2
157.12225	2.7
167.10654	46.8
168.11060	1.8
171.10161	5.9
178.05002	6.1
185.11700	33.4
186.11995	1.1
203.12756	100.0
204.13150	3.0
206.04501	1.2
207.23947	0.8
220.06027	8.3
220.09584	0.9
242.08177	1.4
321.73093	0.9
363.14618	0.9
365.09210	1.0
365.18097	1.0
382.11505	1.8
382.20169	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1702
Annotation	O-beta-D-glucosyl-trans-zeatin
Peak:m/z	Relative Intensity
55.01838	0.7
55.25430	0.8
57.03423	0.9
57.07054	2.1
59.04992	1.7
61.02927	0.9
63.28120	0.7
67.05480	2.1
69.03408	0.8
69.07041	2.8
69.96581	4.6
70.02940	2.2
72.04502	8.6
73.02884	1.9
81.03388	1.6
85.02900	5.0
85.06532	4.7
86.09689	1.8
87.08060	1.6
90.05540	60.1
95.04941	3.3
97.02875	1.5
98.02396	7.8
100.03960	1.4
103.07545	4.3
109.02879	1.1
113.05993	2.5
116.03433	10.3
119.44797	0.7
124.07571	9.7
127.03870	1.5
136.25377	0.9
142.08604	4.1
146.04068	0.8
156.10179	0.8
160.09700	1.1
166.08633	1.2
172.19978	0.9
174.11198	1.1
184.09648	13.2
185.11790	0.9
202.08859	0.8
202.10709	20.2
220.11768	100.0
221.12044	2.3
334.88678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3146
Annotation	Phycomysterol A
Peak:m/z	Relative Intensity
54.74949	1.7
55.05503	11.8
55.90160	1.5
57.07057	6.2
67.05491	22.0
69.03397	1.6
69.07052	15.6
71.62814	1.7
71.63193	2.4
79.05476	10.8
81.07050	35.5
83.04967	2.3
83.08610	6.2
85.06541	31.4
91.05481	10.3
93.07027	27.0
95.04929	3.1
95.08594	36.0
97.06516	3.7
97.10129	4.4
97.75362	1.7
105.07004	22.0
107.08567	21.8
109.06499	2.3
109.10132	25.7
111.08092	1.7
113.09632	2.5
117.07045	2.6
119.08570	23.0
121.10143	21.0
123.08054	2.6
123.11679	10.8
129.07024	2.8
131.08554	13.9
133.10104	17.4
135.11647	12.4
137.13219	4.3
139.11166	3.5
142.07770	3.4
143.08498	9.7
145.10094	20.2
147.11667	12.1
149.13239	8.2
151.14792	1.9
155.08556	2.6
157.10138	17.0
158.10864	2.1
159.11670	16.9
161.09674	1.8
161.13295	8.4
163.11142	4.8
163.14778	3.3
169.10045	8.2
171.11671	11.8
173.13231	11.1
175.11137	1.8
175.14819	6.3
177.12781	3.0
177.16360	1.8
181.10039	2.6
183.11703	7.5
185.13203	11.5
187.14816	8.3
189.16408	6.7
191.14262	2.7
191.17889	5.0
195.11745	1.9
197.13255	5.3
199.14787	10.7
201.16379	5.5
203.14296	2.0
203.18027	3.9
211.14925	3.6
213.16360	7.5
215.17906	3.5
223.14616	2.4
225.16376	9.1
227.17934	8.3
229.19452	4.2
239.17934	4.4
241.19528	8.2
242.20418	1.6
243.17462	8.8
243.21106	2.7
245.19014	2.1
253.19504	6.9
255.21065	17.7
257.22699	2.0
259.20413	1.7
264.92737	1.8
267.21133	5.6
269.22684	4.2
279.21039	4.8
281.22720	3.1
293.22632	3.4
296.25125	1.7
297.22101	2.7
307.24164	2.9
321.25577	1.7
338.26016	1.6
363.30399	17.6
381.07785	2.6
381.31512	100.0
382.31943	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	381.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79203	0.2
60.91559	0.2
61.78556	0.2
62.92321	0.2
68.78724	0.2
69.85014	0.8
69.85430	0.4
73.49574	0.2
98.21431	0.3
115.00694	0.2
173.32478	0.2
201.01575	2.1
208.66760	0.2
219.02644	1.9
328.69403	0.2
381.07855	100.0
382.08151	3.6
382.12653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
56.96563	1.6
57.03426	0.6
61.02919	0.3
63.47558	0.2
66.26911	0.2
69.03412	1.1
69.39318	1.4
69.39737	0.8
73.02918	0.5
73.09048	0.2
83.04983	0.7
85.02890	1.7
96.93836	0.2
97.01431	0.3
97.02893	1.3
98.97577	5.0
101.00874	1.6
103.02425	1.6
109.02895	0.4
110.97581	0.6
112.99129	0.7
113.00901	0.6
115.00692	0.4
115.02428	1.6
116.98618	2.1
117.04021	0.2
119.01913	3.8
121.03497	0.6
127.02492	0.5
127.03919	0.7
128.98618	0.7
129.02171	0.5
129.03973	1.1
131.00179	1.0
131.01878	3.2
133.01834	0.5
133.03455	10.4
134.99666	0.4
136.05118	0.3
137.00865	0.3
137.02934	0.5
141.03981	0.9
142.03664	0.3
143.01894	1.9
143.05522	0.3
145.03436	2.8
146.99677	0.5
147.01375	0.4
147.03261	0.9
147.05011	5.2
149.01147	0.3
149.02957	0.4
151.04515	1.5
153.03975	0.7
155.01869	3.9
155.05585	0.4
156.02623	0.7
157.03464	3.3
158.99667	1.1
159.03496	0.6
159.05006	5.0
161.02931	2.4
161.06606	0.9
163.04529	0.8
165.04169	0.4
165.06137	1.1
167.01915	0.3
169.03490	1.1
171.03535	0.3
171.05006	5.0
173.01482	0.2
173.02960	5.0
175.02985	0.7
175.04530	2.6
177.00760	1.2
177.04369	3.1
177.06102	5.5
179.01984	1.0
183.03482	0.7
183.05028	3.2
185.02911	1.5
185.06564	1.6
187.04584	1.2
189.04256	0.9
189.06120	2.7
193.03580	0.4
195.05338	1.7
195.07170	4.7
196.02251	0.4
197.02924	2.2
197.06532	0.7
199.04570	0.9
201.00879	0.4
201.04344	1.6
201.06113	2.9
203.03873	1.5
203.07619	0.6
205.03871	0.4
205.05655	0.5
207.01964	0.3
207.05182	0.8
211.04431	1.6
213.06122	1.5
215.04080	0.3
215.07594	0.8
216.45699	0.3
217.05621	0.3
219.01791	2.0
219.05353	1.2
219.07133	17.5
220.07277	0.9
221.05067	5.3
221.08633	0.3
223.04791	0.5
225.06036	1.8
227.07542	0.7
229.05472	0.4
231.07120	17.0
232.07463	0.9
233.08713	4.3
237.02794	2.6
237.06175	0.4
240.58113	0.4
243.07222	0.7
244.08093	0.7
245.05074	9.2
245.08774	1.0
246.05133	0.4
247.04457	0.3
247.06703	1.0
247.56680	0.3
251.04393	0.4
255.07103	5.4
255.09549	0.3
256.07483	0.4
259.06717	1.5
261.03006	0.4
261.08368	2.8
263.06186	0.7
265.07745	0.4
273.08182	4.9
277.02917	0.3
279.09274	0.4
285.08041	0.4
286.07751	0.3
291.09262	1.1
295.07141	0.5
303.09335	0.6
309.10345	0.5
321.10327	100.0
322.10513	5.5
339.10156	4.0
341.57568	0.3
362.12814	0.5
381.07922	5.6
381.12341	5.1
382.12885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
55.01837	2.1
55.05494	0.2
55.33205	0.2
57.03438	0.3
58.95782	0.2
60.04510	0.4
61.02923	0.5
65.80474	0.2
67.05493	0.2
69.03425	1.0
71.04992	0.3
71.41101	0.4
73.91143	0.2
74.67610	0.2
79.05485	0.8
81.03396	0.4
81.07047	6.2
83.04962	0.4
85.02902	2.9
86.09642	0.2
95.08618	0.3
97.02883	0.8
101.06018	0.5
105.07020	0.4
109.02866	0.5
109.06505	4.6
109.18867	0.2
115.35242	0.2
119.08564	0.4
121.10124	1.4
123.11674	0.2
127.03946	1.0
127.07533	0.5
137.05957	100.0
138.06287	2.0
139.03952	0.3
145.04974	0.9
147.11653	0.6
165.05411	1.3
165.12697	0.3
183.06505	56.0
183.13766	1.3
184.06828	1.5
201.07523	0.3
224.09190	0.3
250.16940	0.2
267.70114	0.2
380.15262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.1
55.01851	1.8
55.05492	1.7
57.03431	18.4
58.03739	4.9
59.04982	2.9
66.49274	1.5
67.05491	4.7
69.03415	7.5
69.07055	2.3
69.67754	11.5
71.04982	56.4
73.02886	2.0
79.05478	15.3
81.03397	5.2
81.07040	14.6
83.04978	3.3
85.02885	13.6
85.06520	2.1
87.04453	8.7
91.05462	5.1
93.07044	15.6
95.04943	3.4
95.08600	12.2
97.02858	7.6
97.06492	6.8
98.03182	2.4
99.04422	3.7
99.08068	3.4
101.05938	1.6
105.07013	10.2
107.04939	5.4
107.08563	12.5
109.02863	3.1
109.06516	4.1
109.10117	2.2
111.08080	1.8
117.05448	3.6
117.06960	1.8
119.08546	3.6
121.10115	6.3
123.08038	3.0
123.11670	3.7
125.05946	1.8
127.03907	7.7
127.07561	2.5
131.07007	20.8
132.07384	11.3
137.05937	3.1
137.09607	2.0
137.13205	4.1
145.04895	2.2
145.09933	1.7
147.11668	17.9
150.07751	5.1
165.12729	100.0
166.13080	3.5
181.04901	3.7
182.05244	2.2
183.10268	2.0
183.13766	45.6
187.08711	2.0
188.07013	2.6
201.11342	2.1
207.08116	2.9
208.06975	2.5
215.08170	4.9
224.15376	1.6
235.07491	4.9
239.08163	7.7
240.03983	1.7
243.07610	7.5
245.09801	2.8
246.10576	2.2
253.08493	4.5
257.09036	2.2
261.08627	3.7
267.07587	28.5
271.07016	2.3
285.08618	24.2
289.08130	5.3
295.07031	5.0
299.08926	3.7
313.08182	17.8
321.10889	3.1
321.14349	3.4
331.09180	28.1
334.13550	2.9
339.11835	4.3
345.19095	1.8
349.13876	3.3
363.11826	5.7
381.12299	10.2
381.16531	4.6
397.93863	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.7
55.01870	3.1
55.05502	12.4
57.03432	1.9
57.07051	4.2
59.04984	2.4
64.33389	1.4
67.05491	24.1
69.03417	19.0
69.07058	27.0
71.04980	11.0
71.08588	1.5
71.62259	3.1
79.05066	1.6
79.05484	23.3
79.98441	1.5
81.03405	44.5
81.07043	96.3
82.03728	3.7
83.04965	14.1
83.08598	8.1
85.02876	6.3
85.06531	16.4
89.06086	1.4
91.05472	15.5
93.07033	47.0
95.04958	10.4
95.08595	50.7
97.02896	3.9
97.06514	21.6
97.10150	3.9
99.04427	9.7
99.08102	8.8
101.06018	2.4
105.07009	30.7
107.04926	4.8
107.08580	39.2
109.02863	100.0
109.06502	14.6
109.10140	31.0
110.03165	1.7
111.04417	6.1
111.08046	17.1
111.11703	2.9
113.05974	4.5
115.07513	2.7
117.07039	4.2
119.08582	19.4
121.06498	18.8
121.10115	18.9
123.04440	1.7
123.08044	4.7
123.11697	26.3
123.24909	1.4
125.05969	6.8
125.09617	2.8
127.03898	12.3
127.07522	8.8
129.05460	1.6
129.06990	2.7
129.09097	3.1
131.08537	9.8
133.06474	2.3
133.10120	13.9
135.04442	1.8
135.08023	7.1
135.11673	13.1
137.05963	8.4
137.09575	1.8
137.13231	9.8
139.07501	5.3
139.11166	7.2
141.12708	1.7
142.07727	2.1
143.06982	2.5
143.08511	5.5
145.06468	1.8
145.10097	14.3
147.08006	4.5
147.11670	26.3
149.09537	2.2
149.13239	13.6
151.07535	2.3
151.11188	8.1
153.12740	5.3
155.08488	1.9
157.10107	11.6
159.08020	3.6
159.11653	8.9
161.05922	2.4
161.09563	2.3
161.13245	7.6
163.07536	4.1
163.11166	4.1
163.14778	9.3
165.12762	11.0
167.07016	3.4
167.14316	2.0
169.10112	2.1
169.12271	3.3
171.07956	2.3
171.11655	8.2
173.09576	6.1
173.13229	5.6
175.11127	13.8
175.14822	4.5
177.16376	3.4
179.06984	1.7
181.04941	4.1
183.11638	2.3
185.09576	2.1
187.11087	4.7
189.09180	2.6
189.12755	12.3
189.16374	5.2
191.06950	2.3
191.10585	3.7
193.08646	2.7
193.12195	7.8
197.18990	1.9
199.11128	9.0
201.09058	2.8
201.16272	2.6
203.17944	5.3
205.08392	2.3
205.12289	1.8
207.06493	5.2
207.13828	4.0
213.03339	1.5
215.10602	3.0
215.17892	6.3
217.12212	28.3
221.18919	3.9
233.11760	2.4
233.18958	5.4
235.09615	2.0
235.13243	21.7
239.19972	12.6
251.12857	2.3
251.20013	22.0
253.14290	7.8
255.13731	2.5
269.21112	5.6
271.24304	4.2
275.12845	1.6
277.25201	3.4
283.13348	1.9
289.25214	10.8
297.14835	1.7
307.26294	15.5
319.15356	2.5
325.14185	2.9
325.27283	5.4
336.93033	1.5
343.15393	5.1
361.16370	8.3
374.85367	1.7
379.17682	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	379.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.8
55.01847	4.7
55.05498	14.9
57.03424	2.7
57.07051	5.3
57.19711	1.7
59.04992	2.6
62.06067	8.7
62.06745	2.0
62.98154	1.8
67.05495	21.6
69.03424	14.2
69.07054	34.2
71.04980	12.4
71.08639	2.4
71.62368	2.7
79.05483	17.4
81.03415	28.6
81.07043	100.0
82.07388	2.7
83.04965	9.6
83.08605	13.0
85.02888	6.6
85.06529	31.9
91.05464	17.1
93.07025	43.8
95.04979	9.4
95.08593	59.6
96.08952	2.2
97.02894	3.5
97.06504	21.8
97.10126	3.4
99.04453	6.6
99.08085	15.8
101.05910	2.0
105.07010	31.5
107.04941	3.7
107.08572	45.1
109.02862	63.4
109.06498	13.1
109.10135	41.0
110.10502	3.5
111.04401	3.0
111.08062	21.4
111.11688	5.9
111.42268	1.8
113.05971	6.0
113.09646	2.1
115.07547	4.6
119.08544	22.3
121.06488	13.8
121.10117	31.9
123.08064	4.4
123.11691	38.5
125.05989	2.6
125.09624	6.9
127.03894	7.8
127.07545	8.5
127.11156	2.4
129.09087	3.4
131.08560	8.1
133.10101	17.0
135.08060	5.9
135.11691	21.4
137.05956	76.2
137.09619	5.8
137.13232	10.8
138.06250	2.0
139.07532	3.3
139.11131	11.6
140.07043	3.7
141.12706	4.2
143.08516	3.8
145.06380	2.2
145.10106	8.3
147.08032	3.2
147.11665	21.6
148.11975	2.1
149.09598	2.3
149.13223	19.3
151.11186	7.7
151.14883	2.8
153.05486	2.9
153.12727	9.4
155.08618	2.3
155.58797	2.4
157.10086	5.3
159.11652	10.5
161.09555	2.6
161.13257	7.4
163.07574	3.5
163.11111	4.8
163.14812	9.2
165.09058	16.1
165.12680	10.2
166.09441	11.5
167.06985	6.7
169.12213	4.6
171.11679	4.0
171.13814	2.7
173.09613	4.1
173.13229	5.7
175.07568	2.6
175.11153	7.1
175.14798	6.3
177.16380	4.6
179.07040	2.4
181.05009	3.8
181.08606	2.6
181.15855	2.8
182.12582	2.4
183.13792	5.5
187.14836	2.4
189.12733	8.4
189.16425	4.8
191.06956	2.3
193.12271	5.5
199.11162	4.4
199.16856	2.8
201.09167	3.7
201.14809	3.1
203.17966	5.9
205.12033	2.7
207.06419	2.8
207.13818	4.9
207.17282	2.4
211.13324	2.6
214.18005	5.9
215.18071	17.2
217.12212	15.8
221.18983	9.0
226.17950	2.7
227.18323	4.6
233.18994	8.2
235.13142	10.5
239.20032	17.5
251.13007	2.3
251.20027	38.4
252.20343	2.6
253.14398	3.9
260.11392	3.6
269.21121	6.6
271.24069	4.5
277.25159	7.6
278.80817	1.9
289.25085	12.8
290.25665	3.1
295.26166	4.7
301.14432	2.9
305.08127	2.7
307.26248	21.7
325.27179	9.3
329.11578	2.3
343.15451	3.1
343.28101	2.7
347.12750	5.0
361.16486	4.8
379.15436	6.8
379.21829	4.2
379.26572	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	379.2836
Annotation	9-deoxy-9-methylene-16,16-dimethyl -PGE2
Peak:m/z	Relative Intensity
51.16816	1.1
55.01859	2.5
55.05502	12.8
57.03419	1.8
57.07064	2.2
57.53743	1.1
59.04987	1.2
67.05501	11.1
69.03419	2.2
69.07058	13.0
69.38083	13.6
71.04985	5.4
79.05471	10.7
81.07048	25.7
83.04976	3.9
83.08601	4.6
85.06538	12.8
91.05478	9.1
93.07029	32.2
95.04943	1.4
95.08591	36.1
97.06526	4.7
99.04433	3.8
101.06020	12.4
105.07017	15.1
107.08581	56.2
109.06465	3.2
109.10139	18.8
111.08048	3.3
117.06984	1.6
119.08564	23.3
121.06506	2.5
121.10126	49.1
122.10489	1.4
123.08033	3.1
123.11693	10.4
125.09612	5.1
131.08549	2.9
133.10114	23.5
135.08052	4.8
135.11674	70.7
136.12009	1.6
137.09595	2.6
137.13194	2.7
141.78351	1.1
143.08447	1.4
145.10094	5.3
147.11642	19.6
149.13245	21.1
151.11171	14.2
153.09076	2.2
153.12753	8.9
157.10159	2.3
159.11690	12.5
161.09615	1.8
161.13239	11.3
162.25346	1.3
163.11162	4.6
163.14793	14.4
165.12727	20.9
167.14304	10.8
171.11642	2.1
173.13251	4.4
175.11154	1.8
175.14746	2.9
177.12723	28.3
179.10658	1.9
179.14291	10.3
181.12236	9.8
181.15808	2.4
187.14835	1.5
189.09056	1.3
189.12782	2.6
191.14256	2.4
193.12209	6.1
195.11964	2.5
195.13789	43.7
201.16286	1.8
203.17946	3.1
207.13834	8.8
209.15392	1.8
227.17924	2.2
245.18953	2.9
247.16858	1.4
263.20029	45.3
264.20432	2.9
281.66074	1.6
307.24219	1.9
325.25235	4.1
343.26282	21.9
361.27332	100.0
362.27747	7.4
379.28485	34.1
380.28561	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	379.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.3
55.05503	1.5
56.96552	9.9
57.03420	3.5
61.02915	2.8
69.03422	11.4
70.03763	1.3
70.06570	1.2
70.40723	3.9
71.04970	2.2
72.08144	13.4
73.02896	4.4
74.97560	1.6
77.07590	1.0
79.01846	0.9
79.05493	1.1
81.03391	5.6
81.07037	1.4
83.04978	2.1
84.96040	2.2
85.02894	18.6
86.09693	2.7
87.04453	2.1
97.02889	10.1
98.97577	11.6
99.04444	2.3
99.08066	5.4
101.00860	1.8
107.04982	1.0
109.02879	3.2
110.97547	2.4
112.07650	1.1
116.98609	9.0
117.03983	1.8
119.01890	9.2
119.04935	1.1
121.06441	1.6
127.03877	8.0
128.98581	4.3
131.00258	1.3
131.01883	6.5
133.03535	2.3
134.99649	4.8
135.05023	2.8
136.07594	1.3
137.02965	2.6
137.05942	9.1
143.00111	1.3
143.01877	2.8
143.05521	1.5
145.01707	1.3
145.03439	6.0
145.04941	3.2
145.07079	5.8
146.99664	3.9
147.01430	1.1
147.05124	1.8
149.01199	1.7
153.01820	16.0
153.02972	1.7
154.02187	2.1
155.01875	4.8
157.01691	1.2
157.03430	1.7
157.07085	1.2
158.99663	3.2
161.01205	3.1
161.02916	7.1
161.06575	2.4
162.99181	2.6
163.02753	1.8
163.04507	1.2
163.08144	12.1
165.00725	1.0
167.07033	1.8
168.05333	1.0
169.03433	3.5
170.99658	2.3
171.05029	3.0
173.01443	1.5
173.02950	7.6
173.06581	2.7
175.02788	2.7
175.04472	1.7
175.08159	8.0
177.00699	5.8
183.05032	1.6
183.06560	3.2
184.04059	1.1
185.03026	1.5
185.06645	2.7
187.04454	5.3
187.08125	6.5
189.00706	2.1
189.06056	1.9
191.02365	1.2
193.04407	5.0
193.09175	2.6
195.01819	1.2
199.02757	1.3
199.04440	1.1
199.08145	8.4
201.00592	1.3
201.06041	1.2
201.09644	2.4
202.04906	4.4
203.03937	1.9
203.07758	2.2
205.00133	1.2
205.03778	2.2
205.05545	1.4
211.08162	2.8
213.05907	1.1
213.09747	1.5
217.03711	2.3
217.05608	1.8
217.07150	1.8
217.09198	23.6
218.09605	1.5
219.01715	4.4
221.04968	11.7
223.01193	5.4
223.08148	3.6
225.06168	1.4
229.05579	2.0
229.09184	25.0
230.09308	2.4
231.01685	1.2
231.10809	3.9
234.98946	2.1
235.04932	1.4
237.02779	12.8
241.03844	2.3
241.09131	3.3
244.06244	1.0
245.04955	2.3
247.06830	1.3
253.09189	6.6
254.28444	1.0
257.05185	1.1
259.10291	3.3
262.05704	1.1
265.06415	10.1
265.56723	2.1
271.10233	1.6
273.08157	8.5
274.06940	21.1
274.57208	3.2
279.03677	1.5
280.07059	1.2
283.04565	1.4
285.57858	1.3
289.07831	1.7
289.11331	4.0
291.09311	4.7
298.08032	6.0
298.58490	1.8
301.11298	1.9
309.08533	1.7
317.07291	2.1
319.12326	100.0
320.12515	8.6
320.88577	1.1
335.07858	1.4
337.09387	4.1
337.13431	5.8
379.09839	2.0
379.11160	1.2
379.14450	3.7
379.20532	2.4
380.14520	1.1
385.07855	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03454	0.4
55.01851	0.7
55.05499	0.6
59.04979	1.7
62.78173	0.5
67.05481	0.9
69.03404	1.3
69.80308	2.0
69.80717	1.0
70.06574	0.9
71.04957	1.0
81.03388	0.9
81.07026	0.6
83.04958	0.5
85.02899	0.8
91.05468	0.5
94.06528	0.6
95.04934	0.5
97.02862	0.9
97.06458	0.4
99.04394	0.5
101.05976	1.0
103.93737	0.5
109.02850	1.0
109.06532	0.5
109.10078	0.5
112.54278	0.4
113.02342	0.7
114.05492	0.7
117.05482	0.5
119.91709	0.5
124.05022	1.3
127.03885	1.5
129.05452	2.2
130.04955	0.9
136.07565	0.6
145.04955	0.6
149.04581	1.3
153.01776	0.8
159.06610	0.5
162.09122	0.9
166.07248	0.9
167.07057	0.5
177.28352	0.4
180.10156	0.8
181.04916	1.3
181.08537	0.9
189.06380	1.3
200.09943	0.8
201.06450	1.0
202.07217	3.0
203.07999	3.4
204.08765	11.3
207.06497	1.3
208.09686	1.4
214.07182	0.6
215.08015	1.6
216.08775	100.0
217.09531	6.3
218.10316	9.1
225.06381	4.3
226.07178	1.8
227.08025	1.9
228.08800	1.1
229.09583	1.3
230.06812	0.6
230.10353	11.6
232.08250	0.5
240.08768	24.4
241.09396	1.7
242.10313	5.2
244.08368	2.2
246.09836	16.9
255.09810	0.8
257.11444	0.8
258.09802	8.3
259.10428	0.6
268.08313	1.1
283.09308	2.4
285.11038	0.7
286.09314	32.7
315.12103	2.1
329.10159	1.0
333.13086	3.5
343.11807	1.8
347.10889	3.8
361.12466	5.5
379.13580	54.1
380.13809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.1
55.55310	0.8
60.04517	1.2
68.05003	0.8
69.03429	1.6
69.07068	0.9
70.06583	98.2
71.05000	0.8
71.06915	1.1
71.28870	0.7
71.53974	0.8
71.54306	1.0
75.84772	0.7
79.05500	0.7
81.03406	3.4
81.07037	1.0
83.04990	0.8
85.02895	2.8
86.09708	1.1
87.04442	1.5
91.05460	0.7
93.07028	1.0
95.08589	0.7
95.38631	0.7
97.02882	2.0
99.04436	1.1
100.04916	0.7
101.06000	1.0
109.02859	6.3
112.07588	100.0
113.07957	0.8
114.05595	0.6
115.05429	0.8
116.07079	2.6
121.06451	1.2
127.03893	2.7
136.07584	0.8
137.05939	1.7
138.09128	0.7
139.03816	0.6
140.07045	62.4
141.07310	0.8
150.08914	0.7
153.01810	0.7
153.36192	0.7
158.08115	15.2
167.06960	1.5
175.07510	0.8
181.05035	0.9
181.08539	6.1
183.40042	0.7
199.09587	3.9
205.08600	1.0
207.06392	1.4
208.09390	0.8
212.09189	1.0
214.10635	1.6
216.08739	2.3
216.10982	1.2
220.36148	0.6
230.10153	1.6
230.75847	0.7
242.10168	0.9
266.10269	3.7
284.08456	1.0
284.11276	15.0
286.09265	0.8
302.12277	3.9
342.15567	1.0
379.13541	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01869	0.9
57.03423	1.0
60.04521	0.6
61.02908	0.7
64.76743	0.6
66.62832	0.5
69.03419	3.5
70.06584	5.3
70.62868	1.2
70.63269	0.7
71.04984	0.8
73.02911	0.8
74.06078	0.5
79.05450	0.7
81.03399	2.1
81.07053	0.8
83.04968	0.7
84.08136	0.7
85.02896	9.4
87.99299	0.4
91.05489	1.4
93.07037	0.9
95.04957	0.6
96.04482	0.6
97.02873	2.4
98.06019	0.8
99.04421	0.6
103.05434	3.6
105.07027	0.7
107.04914	0.8
107.20128	0.4
109.02855	1.7
112.07604	4.8
116.07079	3.3
119.04948	0.9
121.06520	1.0
122.03603	1.8
123.04412	0.9
123.08037	0.6
127.03883	2.0
131.04932	0.8
135.08026	0.8
137.05959	100.0
138.06319	1.6
139.03897	0.6
140.04675	1.7
140.07004	2.7
144.06497	0.7
145.04956	1.4
145.06401	0.5
149.05971	0.8
150.44557	0.5
151.07524	0.9
153.01826	1.2
153.05455	0.7
154.08600	0.6
155.07014	0.9
155.38300	0.5
158.08188	0.6
163.07520	4.4
165.05496	0.5
167.06982	1.0
172.05934	0.5
175.07497	0.9
178.09483	0.7
179.07066	0.6
180.10155	0.6
181.04991	0.7
181.08569	20.6
196.06232	0.7
199.05998	1.1
199.09669	1.6
205.06819	0.6
205.08604	1.8
208.09637	0.9
216.12303	0.8
234.98972	0.5
251.07011	0.5
269.08307	0.6
284.11298	0.7
287.38190	0.5
289.10687	0.5
290.68497	0.5
307.11823	0.8
315.08261	0.5
332.11176	1.0
343.08194	0.8
378.11890	1.0
378.17435	0.8
379.15115	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01853	2.8
57.03436	2.1
59.86287	1.5
61.02927	3.1
67.05476	2.6
69.03423	11.7
71.04967	1.8
71.61175	2.4
76.31749	1.6
81.03402	7.4
83.04952	1.9
85.02892	27.8
91.05480	2.2
95.01332	14.0
95.04956	19.2
97.02871	11.8
98.11327	1.8
99.04440	2.3
107.04932	2.4
109.02860	6.9
111.04463	2.1
113.02361	30.4
116.07100	2.2
123.04408	16.8
125.02319	5.4
127.03883	8.4
135.04404	1.9
137.05965	6.5
139.03946	1.9
140.04660	93.6
145.04932	4.4
147.04398	3.3
153.01790	2.2
155.07024	40.0
167.07063	2.1
173.08131	4.9
179.06989	2.0
180.08701	7.3
180.10159	2.1
181.04951	12.4
181.08563	4.9
186.40952	1.6
199.05992	100.0
205.27988	1.8
206.89838	1.7
233.23595	1.7
234.98953	3.5
239.05563	1.9
257.06601	4.1
312.68283	1.6
347.93909	1.8
378.03827	2.3
378.11349	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	377.1587
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
53.03925	7.1
55.01862	2.5
55.05489	5.2
55.13589	1.7
55.89138	1.8
57.03430	2.7
57.47922	1.8
65.03924	3.6
67.05495	11.5
69.03410	4.6
69.07038	2.9
70.53556	8.5
71.04955	2.1
78.04699	1.8
79.05479	15.4
81.03394	10.3
81.07033	17.7
83.04948	3.4
85.06481	2.5
87.04970	1.8
89.03959	2.2
91.05462	39.4
93.03394	3.2
93.07020	12.1
95.04943	12.9
95.08585	7.9
97.02882	3.3
97.06516	4.0
99.04427	3.9
100.11232	3.7
102.04608	3.2
103.05476	25.5
105.03389	2.5
105.07008	24.8
107.04933	30.0
107.08561	5.9
108.05718	8.0
109.02859	16.4
109.06487	10.6
111.04430	6.8
115.05413	4.3
117.06960	5.3
119.04919	41.4
119.08561	4.2
121.06480	11.7
121.10114	3.9
122.03653	5.4
123.04384	7.3
123.08032	12.1
125.05952	8.7
127.03896	5.0
128.06169	3.0
129.06941	3.6
130.04111	13.8
131.04913	51.8
131.08585	4.9
132.05739	2.7
133.02840	17.9
133.06473	16.8
133.10094	4.4
135.04379	8.7
135.07990	10.2
136.05153	4.1
137.05951	61.5
138.06709	8.8
142.08620	8.0
143.08545	3.7
144.17482	1.9
145.06456	6.1
145.10097	9.8
146.03557	2.0
147.04391	38.6
147.08029	3.0
147.11536	2.3
149.05965	25.0
149.09801	2.4
150.06761	10.5
151.03923	2.4
151.07521	54.0
153.01845	4.0
153.05429	15.4
154.04951	39.1
159.08095	3.3
159.11629	5.3
161.05957	16.5
161.09525	4.0
162.06721	41.4
163.07513	62.9
163.11189	4.5
164.07953	4.1
165.05463	11.5
165.06786	2.5
167.07014	25.0
169.08600	7.8
169.10002	2.8
171.02997	1.8
173.05952	9.5
173.09595	4.7
175.07465	3.2
177.05464	21.1
178.07657	2.6
179.07005	75.5
180.07452	3.8
181.08586	9.9
185.09619	2.9
187.11145	5.8
187.14740	2.3
191.06960	2.5
191.10667	2.8
193.08575	3.4
195.10008	2.9
197.08034	46.0
197.09744	3.7
202.07690	2.2
204.02939	14.3
205.08557	3.5
205.12306	2.5
209.07971	5.1
215.10635	6.2
217.08554	2.5
221.09637	2.7
222.03862	2.5
223.07713	3.0
223.09512	11.9
231.10266	2.1
233.06126	2.2
235.07495	2.1
235.09578	7.7
236.05534	5.1
247.14693	3.5
249.09061	3.9
267.12387	2.0
281.08136	4.2
281.11630	2.8
309.11145	4.6
313.10635	5.8
327.12216	100.0
328.12704	6.3
341.13748	5.1
345.10757	2.3
359.14938	16.3
359.18979	3.7
360.15851	2.2
377.15967	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	377.1588
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
53.03943	6.6
55.01851	6.0
55.05498	12.5
56.81982	2.2
57.03436	3.1
57.07064	4.6
58.63180	2.1
65.03923	5.1
67.05496	20.6
69.03426	10.4
69.07047	15.0
70.73676	7.6
70.74026	2.4
71.04978	5.5
77.03873	2.2
79.05486	20.4
81.03405	16.5
81.07048	43.5
83.04983	13.1
83.08595	5.2
85.02905	2.2
85.06524	7.3
85.19467	2.0
89.05634	1.9
91.05475	35.6
93.03392	2.3
93.07027	27.4
93.89674	2.0
94.04165	2.2
95.04949	17.6
95.08591	27.8
97.02882	6.2
97.06509	7.3
97.10114	2.6
98.06937	2.0
99.04436	4.6
99.08064	3.0
103.05453	18.9
105.03353	2.6
105.07018	33.8
107.04938	42.7
107.08582	19.5
108.05756	2.3
109.02864	29.0
109.06477	12.6
109.10134	19.7
111.04411	7.4
111.08018	2.5
115.05421	5.4
117.07008	10.6
119.04914	21.2
119.08566	19.2
119.25897	1.9
121.02806	2.3
121.06461	11.5
121.10131	11.4
122.03645	5.7
123.04404	6.9
123.08022	9.8
123.11672	7.2
125.02386	2.3
125.05933	3.1
127.03869	7.3
129.06941	2.9
130.04091	5.6
131.04915	27.6
131.08545	9.5
133.02844	7.6
133.06456	14.4
133.10118	14.2
135.04361	7.2
135.08076	17.2
135.11652	9.5
137.05957	100.0
137.09538	3.4
137.13225	5.6
138.06398	2.7
143.08539	4.2
145.06447	6.2
145.10118	15.7
147.04385	17.8
147.08025	5.5
147.11671	7.9
149.05974	10.7
149.09619	3.3
149.13222	4.2
150.06772	3.6
151.03926	3.1
151.07526	28.8
151.11197	3.2
153.05428	9.0
157.06406	3.6
157.10074	5.2
159.08046	3.6
159.11671	13.0
161.05943	9.8
161.09639	3.5
161.13277	3.6
162.06723	20.7
163.07521	53.1
163.11160	8.2
165.05472	6.5
165.09077	2.6
167.07022	45.0
167.08443	4.4
169.06432	2.3
169.08604	3.5
169.10103	3.2
171.08025	4.3
171.11635	3.2
173.05971	4.1
173.09552	7.1
173.13249	3.4
175.07497	2.9
175.11067	3.4
177.05461	11.9
177.09085	4.0
179.07033	33.6
179.10420	5.0
179.14262	2.9
180.07567	2.7
181.05048	4.2
181.08618	4.4
181.12152	2.4
185.09578	3.4
187.07500	2.9
187.11137	8.8
187.14810	4.0
189.08997	4.6
195.08479	2.4
195.10117	11.8
197.08057	21.7
197.09592	3.5
197.13321	2.4
205.08623	4.8
205.12291	3.4
209.11638	2.9
209.17181	2.2
213.09183	2.7
215.10631	8.7
217.08540	4.0
223.07597	2.5
223.09570	5.3
233.11665	4.0
235.09644	3.6
251.12857	2.9
267.12140	3.3
271.12805	2.8
281.11652	4.6
287.23782	2.6
305.24652	4.9
327.08459	3.0
327.12189	36.6
341.13635	5.3
359.14871	13.8
377.16107	10.2
383.31500	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1589
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
51.23660	3.0
53.03931	3.1
57.03412	4.1
58.36139	2.6
63.11924	2.3
63.12978	2.3
65.03937	3.6
67.05492	10.1
69.07050	4.8
71.11042	4.0
71.11370	5.2
79.05485	12.5
81.03402	6.8
81.07048	21.6
82.65694	2.7
82.93127	2.7
83.04965	6.0
85.06516	4.2
88.81207	2.8
91.05467	52.9
93.07045	17.2
95.04950	11.3
95.08618	9.7
97.06614	3.4
102.04665	5.8
103.05449	26.8
105.07031	27.3
107.04943	32.0
107.08585	7.0
108.05736	6.0
109.02873	9.6
109.06519	13.4
109.10133	8.1
111.04433	4.9
115.05447	3.2
117.07036	3.7
118.04085	3.5
119.04935	40.5
119.08557	6.5
121.06498	12.2
121.10132	7.8
122.03660	6.1
123.04424	5.5
123.08088	15.4
123.11757	4.5
125.05965	6.3
127.03912	3.2
130.04112	13.5
131.04916	52.2
133.02876	13.6
133.06506	17.7
133.10168	4.4
135.04408	6.1
135.08014	11.5
135.11649	4.4
136.05165	4.1
137.05963	65.5
138.06732	7.4
145.06537	3.5
145.10034	3.9
147.04405	38.0
149.05977	18.6
150.06740	9.0
151.07527	56.1
153.05464	13.1
159.04495	3.1
159.11710	2.8
161.05957	19.5
161.09613	2.9
162.06738	44.3
163.07530	73.3
163.11157	3.2
165.05452	8.7
167.07050	17.4
169.08607	8.4
171.13795	4.0
173.05928	6.0
177.05453	21.9
179.07022	77.8
181.08568	8.4
187.11177	4.1
191.06918	3.4
197.08058	40.1
205.08614	4.6
221.09564	2.7
223.09528	12.9
235.09569	9.2
267.09933	3.6
281.07956	2.9
309.11108	6.6
313.10529	5.3
327.08331	5.7
327.12231	100.0
328.12488	6.1
330.70856	3.4
341.13986	4.8
347.14954	3.5
359.15060	13.8
377.15948	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	377.1591
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
51.63946	1.7
53.03946	1.7
55.01851	4.7
55.05490	3.1
57.03427	3.9
59.04995	2.1
65.03937	3.6
66.74516	1.6
67.05499	8.4
69.03417	2.7
69.07051	5.4
69.83599	9.7
71.04974	4.7
75.38222	1.3
79.05486	14.3
81.03413	5.9
81.07040	18.5
83.04973	2.7
83.08614	1.9
84.04504	3.7
85.02893	3.6
85.06562	1.6
87.04462	1.8
91.05467	41.9
93.03426	2.1
93.07032	15.8
95.04962	13.3
95.08595	12.5
97.06509	4.1
98.20757	1.5
99.08065	4.4
102.04682	5.4
103.05452	22.8
105.03329	2.0
105.07015	27.6
107.04939	26.1
107.08605	7.5
108.05717	5.2
109.02855	6.4
109.06496	9.2
109.10136	8.6
111.04411	5.6
111.08016	1.7
113.05962	1.8
115.05450	5.3
117.07008	4.1
119.04930	43.4
119.08556	6.1
121.06498	14.1
121.10135	5.6
122.03671	5.6
123.04375	6.8
123.08050	23.7
123.11694	5.0
124.08389	5.6
125.05961	5.9
127.03912	2.3
127.07516	1.5
127.11151	2.1
130.04146	13.0
131.04913	56.3
131.08574	2.1
132.05663	2.5
133.02838	12.3
133.06464	15.3
133.10101	3.5
134.03687	2.6
135.04408	5.6
135.08061	11.2
135.11699	3.6
136.05153	4.2
137.05960	64.0
137.09599	2.2
138.06761	7.2
139.03894	2.3
139.11192	2.1
145.06490	3.8
145.08562	1.7
145.10139	3.4
146.03568	3.8
146.08871	2.0
147.04391	71.2
147.08035	6.5
147.11726	2.4
148.04782	1.9
149.05962	22.4
149.13298	2.4
150.06754	10.9
151.03914	9.6
151.07526	59.3
152.07973	1.5
153.05475	14.7
153.12743	1.8
157.10100	1.8
159.04366	2.0
159.11690	2.5
161.05959	17.6
161.09692	2.0
161.13260	2.2
162.06741	45.3
163.03874	2.1
163.07521	67.2
164.07947	1.9
165.05479	11.5
165.09145	2.0
167.07004	16.8
169.08672	7.4
173.05988	4.6
175.07524	16.0
177.05438	24.0
177.09013	2.4
177.16403	1.7
178.07762	2.2
179.07014	83.9
180.07533	3.3
181.04881	2.1
181.08562	10.1
189.09053	2.5
191.07036	5.3
192.07733	2.1
193.04948	2.1
193.08592	17.7
193.10205	2.6
195.08055	2.2
195.10106	2.1
197.08067	45.8
197.13591	2.4
205.08624	6.2
220.08743	1.9
221.05844	2.4
221.09595	1.8
223.07564	2.9
223.09567	13.0
225.08940	2.0
235.09619	8.0
237.09183	2.2
241.08340	2.0
247.39034	1.5
249.09096	3.4
253.08580	3.7
263.07138	1.9
267.10074	2.1
277.85223	1.8
281.08313	2.4
281.11670	2.7
295.09851	2.7
301.10690	1.7
302.11383	2.2
305.24783	4.0
309.11179	5.0
313.10660	6.1
323.25931	2.1
327.12238	100.0
328.12619	6.2
329.13730	2.3
331.21683	1.6
341.13870	4.1
347.14758	3.9
359.14911	13.8
360.15286	1.5
360.31808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05296	0.5
55.05508	5.6
56.05028	7.8
57.03408	0.6
57.07076	3.1
58.02948	5.7
58.06581	1.4
59.94058	0.5
60.04516	37.7
61.02903	0.8
66.87444	0.5
67.05487	1.9
68.05016	1.0
69.03421	9.7
69.07059	8.0
71.08624	1.6
71.62835	1.1
72.04483	0.6
74.06073	1.2
76.01241	0.5
79.05481	1.5
81.07030	3.3
83.08603	6.0
83.39535	0.5
84.04464	0.6
85.10159	0.6
86.06052	15.3
87.04438	0.7
91.05456	0.9
92.55032	0.5
93.07027	2.2
95.08593	3.1
97.06532	0.8
97.10133	3.6
104.07085	77.5
105.06909	0.6
107.08588	2.2
109.10135	1.3
111.08080	0.7
111.11722	0.7
111.13430	0.6
114.09135	0.6
115.96477	0.5
119.08588	2.1
121.10130	2.2
122.08121	26.7
123.11680	0.8
125.09679	0.8
133.10136	1.1
135.08005	0.6
135.11659	1.7
137.05959	0.6
145.10112	0.8
147.11665	0.9
149.13260	0.8
159.11615	0.6
195.13876	0.8
223.51459	0.5
254.24648	0.6
272.25867	2.3
327.12646	0.6
340.28479	2.8
358.29456	100.0
359.29739	5.3
376.26151	0.8
376.30508	22.5
377.30869	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.85160	0.2
57.03428	0.5
58.03663	0.2
65.03934	0.2
67.05481	0.4
69.03412	0.5
69.07063	0.2
70.06567	0.5
70.90015	0.3
70.90363	0.3
71.04974	0.7
76.20316	0.2
79.05474	0.7
80.35058	0.2
80.44811	0.2
81.03408	0.5
81.07019	0.2
83.04961	0.3
85.02892	0.6
85.06509	0.2
91.05453	1.6
93.07027	0.6
95.04935	0.5
99.04439	0.4
102.04654	0.3
103.03963	0.2
103.05434	0.9
103.51060	0.2
105.07001	0.6
106.42549	0.2
107.04916	0.6
107.08559	0.3
108.05708	0.2
109.02881	0.6
109.06506	0.2
111.04453	0.4
112.07600	0.3
113.26734	0.2
115.05408	0.8
115.85100	0.2
116.06223	0.3
117.05502	0.4
117.07008	3.8
119.04906	1.1
119.08537	0.4
121.06461	1.1
123.04408	0.6
123.08049	0.7
124.07556	0.3
125.02336	0.2
125.07935	0.2
127.03902	0.6
128.06207	1.4
128.43240	0.2
129.06984	0.3
130.04138	1.0
131.04893	1.7
131.08545	0.5
133.02818	0.3
133.06451	0.8
133.10127	0.2
134.07239	0.4
135.04411	0.4
135.08017	0.7
136.05406	0.2
136.07555	3.4
137.05949	3.4
139.03841	1.0
143.08530	2.2
145.06471	0.9
146.07224	0.2
147.04379	2.2
147.07999	0.9
148.04781	0.4
149.05960	0.7
149.09608	0.5
150.06798	0.4
151.03900	0.4
151.07506	4.2
152.06973	0.3
153.07399	0.3
159.07979	0.4
160.05089	0.4
161.05904	0.9
162.06731	7.2
163.03944	0.5
163.07526	2.0
164.07025	1.5
165.05478	0.4
165.06900	0.2
165.09099	0.7
167.03302	0.2
167.07065	0.3
167.42850	0.3
171.08022	2.0
172.79498	0.2
175.07521	5.8
175.11060	0.4
175.80119	0.2
177.09077	100.0
178.09514	2.7
179.03357	0.4
179.06964	0.3
179.10582	0.4
187.07442	0.2
188.08374	0.2
189.09064	0.3
191.10715	0.3
193.08589	0.7
195.10130	1.7
196.13280	0.2
199.09525	0.2
203.10623	2.4
207.10086	0.2
209.11665	0.5
209.61334	0.2
214.10757	0.3
215.09198	0.2
215.11110	0.8
221.11684	4.8
222.12468	3.9
223.13214	0.3
253.08926	0.2
288.10001	0.3
302.11646	0.3
313.10950	0.3
327.08633	0.6
341.10257	0.3
359.11514	4.9
359.19449	0.8
377.12543	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	377.145
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
50.35057	0.3
53.03935	1.8
53.57018	0.3
55.01848	0.9
57.03433	6.2
57.79973	0.4
59.04984	0.7
61.02920	3.0
67.05479	0.6
69.03420	11.2
70.06571	0.5
71.01335	2.1
71.04983	4.4
71.61532	0.5
72.93736	0.3
73.02927	1.8
73.03241	0.3
75.04486	2.0
79.05475	0.6
81.03399	3.7
81.07029	0.7
83.04940	0.6
84.04483	0.5
85.02879	0.9
85.06506	1.0
91.05469	0.8
93.07000	0.6
97.02875	0.6
97.06537	0.4
99.04430	4.5
103.05428	0.6
107.04914	0.4
107.08538	0.7
109.02858	0.7
109.10085	0.4
111.08022	0.4
113.02320	0.4
113.05962	0.6
117.05458	1.2
119.08533	0.4
121.10098	0.5
123.04379	0.5
123.27867	0.4
124.07554	0.8
125.05960	0.5
125.07919	0.7
127.03912	0.5
130.06557	0.4
130.28474	0.4
131.04887	0.5
137.05934	1.1
139.09448	0.7
142.68330	0.4
145.07564	1.3
147.04411	1.3
157.06349	0.4
163.07448	0.4
167.06998	0.5
170.07106	0.7
172.08673	23.4
173.09052	0.7
174.10269	0.8
175.07401	0.6
175.08742	0.8
179.06931	0.4
179.12613	0.4
181.08595	0.4
190.09706	0.9
193.08626	0.8
198.06596	5.0
200.08153	3.5
214.09718	0.8
214.14328	2.4
215.14650	4.0
216.07655	14.5
217.07985	0.5
218.09221	1.0
229.08345	0.4
243.08745	60.0
244.06932	0.7
244.09013	1.4
254.34218	0.4
257.12845	0.4
359.13501	2.9
377.14499	100.0
378.14911	4.9
385.83221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91882	0.3
52.22816	0.4
53.03925	0.4
55.01856	0.5
55.05498	1.0
57.03426	2.2
60.94595	0.3
61.02909	0.9
62.97261	0.3
67.05482	0.9
69.03414	3.3
69.07081	1.6
71.04974	2.0
71.61745	0.5
73.02890	1.0
79.05470	1.1
81.03394	1.9
81.07047	2.2
82.06548	0.8
82.07387	0.4
84.04482	1.4
84.08115	0.3
85.02406	0.5
85.02888	6.0
85.06512	0.6
91.05437	1.3
93.07030	1.6
95.04967	0.8
95.08589	1.1
96.08107	1.5
97.02880	2.3
97.06491	3.0
99.04423	0.6
99.08033	0.6
103.05474	0.5
105.03377	0.6
105.06986	1.0
107.04914	0.7
107.08569	1.3
108.08077	0.8
109.02861	1.4
109.06499	1.3
109.10110	0.9
110.06003	0.4
110.09648	0.6
119.04896	0.7
119.08584	0.5
120.08083	0.6
121.06474	0.6
121.10088	0.5
122.09654	2.9
123.04388	0.5
123.06742	0.5
123.08023	1.8
124.07571	24.0
125.06000	0.5
126.09113	2.1
127.03881	0.9
127.07496	0.4
131.04834	0.5
133.10088	1.0
135.11649	0.7
136.11172	2.5
137.05966	2.8
137.09595	0.6
138.09113	21.4
139.09396	0.4
140.10686	2.9
145.04913	0.6
145.08600	1.2
145.10123	0.3
147.04430	0.9
149.02318	0.6
149.05965	0.4
150.09088	0.8
150.11606	0.7
150.12749	10.7
151.03812	0.9
151.07527	0.8
151.11119	0.9
152.04225	0.5
152.10692	2.3
153.05438	0.8
156.10118	0.5
160.11145	0.6
161.05978	0.5
161.09561	0.6
162.06616	0.6
163.03888	0.7
163.07532	0.9
165.05444	0.6
166.05919	0.3
166.08626	0.4
167.06966	1.7
168.07426	0.3
168.13808	0.8
173.73235	0.4
177.05374	0.5
178.12244	11.8
179.06985	1.1
179.10641	2.7
179.12080	0.4
180.07506	0.4
180.10130	0.3
181.04900	0.5
182.11691	0.4
196.11555	0.6
196.13284	9.2
197.07982	0.5
205.08560	0.4
214.14337	100.0
215.14668	2.7
224.12813	0.5
226.14349	0.5
238.14394	0.6
254.08838	0.4
256.15344	0.5
280.15286	0.6
292.15384	0.6
316.12595	0.4
327.12250	0.6
358.13651	0.5
358.18234	0.5
359.15350	0.4
376.14932	1.2
376.19577	10.9
377.14539	1.1
377.19937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38587	0.3
51.63289	0.3
53.03923	1.0
54.75254	0.4
55.01866	0.5
55.05487	0.4
57.03425	3.0
58.45032	0.3
61.02904	1.4
67.05494	0.5
69.03076	0.5
69.03420	6.2
69.07050	1.1
69.56349	2.6
70.06556	0.6
71.01333	0.7
71.04983	3.0
73.02897	0.8
74.06055	0.5
75.04453	0.6
79.05466	1.0
81.03403	2.8
81.07034	1.2
81.29500	0.3
82.06551	0.6
83.04972	0.4
84.04484	2.7
85.02419	0.7
85.02893	7.7
85.06516	0.7
87.04462	0.6
89.89048	0.4
91.03900	0.7
91.05440	0.5
93.07011	0.9
94.06546	0.8
95.04965	0.3
95.08624	0.8
96.08099	0.9
97.02882	2.7
97.06496	2.4
98.20713	0.4
99.04432	1.8
103.05468	0.4
105.07048	0.8
107.08550	0.7
108.08109	0.6
109.02845	1.3
109.06495	0.8
109.10165	0.8
110.06043	0.5
110.09662	0.7
112.07561	0.5
113.06020	0.4
115.39606	0.3
119.08569	0.6
120.08041	0.5
121.02869	1.7
121.06517	0.4
121.10118	0.5
122.09659	2.7
123.04445	0.5
123.08029	1.6
124.07569	19.2
126.09134	1.2
127.03883	1.7
133.02722	0.4
133.10129	0.6
135.11607	0.5
136.11171	1.9
137.05946	1.6
137.09506	0.4
138.09117	16.8
139.03839	0.7
140.10661	2.1
145.04959	1.0
145.08612	1.3
147.04356	0.7
150.12756	8.6
151.07391	0.4
152.10667	1.6
158.28867	0.3
161.09608	0.7
163.07573	0.5
165.05507	0.4
167.07011	1.1
168.13849	0.6
169.40346	0.4
172.08682	4.0
178.12250	9.5
179.07045	0.8
179.10641	2.6
181.04930	0.4
186.07555	0.4
196.13289	6.8
198.06570	0.8
200.08113	0.6
214.14343	100.0
215.14728	2.5
216.07664	2.5
243.08745	11.7
283.08093	0.4
346.13876	0.6
359.13486	0.7
376.15564	1.0
376.19666	6.4
377.14471	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	376.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01863	0.5
57.03434	1.2
60.65162	0.3
61.02908	1.1
62.50652	0.2
66.56065	0.2
67.05479	0.4
69.03132	0.3
69.03421	3.4
69.07059	0.3
70.06573	0.6
71.04977	0.4
71.61361	0.3
73.02890	0.4
79.05475	0.8
81.03400	1.4
81.07053	0.4
82.06580	0.5
82.59492	0.3
83.04941	0.3
84.04474	0.4
85.02431	0.3
85.02899	5.1
85.03406	0.2
86.09693	0.4
87.04436	0.7
91.05432	0.6
93.07035	0.3
94.06548	1.5
94.29497	0.3
95.04945	0.3
95.08618	0.4
96.08092	1.0
97.02887	2.5
99.04417	0.6
105.06994	0.7
107.04920	0.4
107.08593	2.0
108.08147	0.3
109.02859	0.9
109.06510	0.4
110.06029	0.8
112.07572	0.6
119.04964	0.4
119.08548	0.5
121.06509	0.4
122.05977	0.5
122.09659	3.0
123.04434	0.4
123.08023	1.8
124.07569	14.3
125.08351	0.6
126.09095	0.3
127.03878	1.5
130.18381	0.3
133.02780	0.3
133.06488	0.8
133.10104	0.3
135.08014	0.9
136.07552	0.7
137.05954	1.2
138.06317	0.3
138.08122	0.4
138.09120	7.0
139.03831	0.4
140.07040	0.8
140.10667	1.0
145.04919	0.5
147.04384	0.9
149.05939	0.2
150.05505	0.3
150.09102	4.9
151.07523	1.4
152.10675	0.8
160.07422	0.3
161.05991	0.7
168.06422	0.3
168.10173	13.0
177.09135	0.4
178.08607	5.5
179.07024	1.8
182.08119	0.5
186.11276	0.3
196.09657	12.2
197.08144	0.4
213.11130	0.7
214.10704	100.0
215.11029	2.0
226.10757	0.3
311.62793	0.3
376.15897	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	376.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.0
57.03416	2.0
61.02916	4.2
62.09887	0.8
65.03931	1.0
66.51294	0.7
69.03413	8.4
69.94235	4.2
71.04983	1.8
73.02899	1.3
74.96580	0.8
79.05489	6.0
81.03408	3.8
85.02894	31.8
87.04456	0.9
91.03936	1.1
91.05467	13.3
95.04943	0.8
97.02872	8.6
97.51186	0.8
99.04454	1.3
107.04950	11.1
108.05148	0.8
109.02856	2.4
118.75196	0.8
119.04921	34.6
121.06503	5.2
127.03922	7.8
128.31921	0.8
131.04871	1.1
135.04398	19.4
137.05954	21.0
145.04948	8.1
147.04388	63.8
149.05957	14.4
151.07492	5.2
161.05962	1.5
163.05994	1.0
163.07492	1.0
165.05447	1.1
167.07014	44.2
179.07008	100.0
180.07268	1.9
191.07031	3.5
197.08113	2.7
203.06970	1.0
214.10802	1.5
233.08003	0.9
263.92178	1.0
311.11139	3.4
372.50842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2373
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03929	1.7
55.01849	2.7
55.05501	7.0
56.78467	0.9
57.03422	1.8
57.07066	1.4
59.04979	1.3
59.20298	0.9
60.29735	0.8
61.02900	1.2
65.03914	1.7
67.05226	0.7
67.05498	8.6
69.03419	6.0
69.07056	12.6
69.84325	2.5
69.84743	2.8
71.04984	6.2
73.02913	1.2
79.05482	7.7
81.03392	3.9
81.06575	1.2
81.07044	23.2
83.04942	2.9
83.08612	6.9
83.73693	0.9
84.04486	3.4
84.88762	0.9
85.02885	10.4
85.06537	7.8
85.51865	0.9
86.09657	1.4
87.04443	1.3
87.85355	0.9
91.05463	10.6
93.07028	18.4
95.04938	6.1
95.08592	27.0
97.02873	3.3
97.06512	4.2
97.10171	4.9
98.20757	1.1
99.04430	2.9
99.08073	14.9
101.05966	1.4
103.05466	1.7
105.03351	1.7
105.07009	9.6
107.04952	3.3
107.08576	32.4
109.02857	2.8
109.06512	4.2
109.10141	15.7
111.04382	2.3
111.08057	9.3
113.09622	2.2
115.05435	2.0
115.11192	0.8
117.07005	2.6
119.04916	2.9
119.08562	5.3
121.06488	5.4
121.10126	47.1
121.82141	0.8
122.03616	1.1
122.10458	1.1
123.04372	1.9
123.08036	3.2
123.11666	4.7
124.07569	1.4
125.06025	1.5
125.09589	7.1
127.03899	2.8
127.07550	1.3
127.11160	2.8
128.06145	1.0
131.04883	3.7
131.08546	3.2
133.02863	4.5
133.06462	3.0
133.10115	6.5
135.04419	2.7
135.08018	2.6
135.11670	12.8
137.05949	19.0
137.06926	1.8
137.09550	2.0
137.13222	5.9
138.09091	1.1
139.07516	0.9
139.11171	1.4
141.05444	2.6
143.04951	1.6
143.08496	1.2
145.04887	1.0
145.06461	1.0
145.10078	2.3
147.04408	2.6
147.07983	1.4
147.11626	1.6
149.05965	5.7
149.09570	2.4
149.13229	5.5
150.06755	4.7
151.02701	1.8
151.03882	22.3
151.05011	1.8
151.07506	3.7
151.11104	1.7
153.05426	3.0
153.06854	1.0
153.09085	1.0
153.12724	3.3
155.07036	1.1
155.10596	1.5
157.10114	1.6
159.04373	1.3
159.07991	1.0
159.11636	2.1
160.05101	1.1
161.05957	5.2
161.09584	1.1
161.13264	1.2
162.06683	2.9
163.03893	1.2
163.07501	4.1
165.05443	12.8
167.07010	12.6
167.10612	2.2
169.12350	1.0
171.11685	1.2
172.04991	2.7
173.06030	1.0
175.07561	4.6
175.11128	1.1
175.14789	1.5
177.05453	3.4
177.09056	4.7
177.16360	100.0
178.16685	5.0
179.07027	1.7
179.10583	2.3
181.04956	2.2
181.08563	1.0
189.05403	1.0
191.07002	5.1
193.04890	1.8
193.08562	2.9
194.11835	1.4
195.10150	1.5
195.13741	2.2
195.17410	19.6
196.13341	2.1
196.17780	1.0
197.11668	3.7
200.87161	0.8
203.06995	3.8
205.08540	1.2
213.11191	1.3
213.18466	36.7
214.09749	5.2
214.14378	5.4
214.18863	1.2
217.15826	1.0
218.05534	2.0
219.07933	1.0
219.10190	0.8
221.07968	1.4
221.11658	1.0
246.05081	2.0
253.08826	1.0
265.08691	0.9
269.12198	0.9
297.11328	1.9
301.10736	1.6
313.10742	1.2
315.12415	9.5
321.24185	2.2
327.12018	1.4
343.12213	1.2
345.13168	2.8
357.13400	4.0
375.14941	11.9
376.15366	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	375.2372
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03943	1.2
55.01856	1.4
55.05498	7.9
57.03434	1.4
57.07062	1.8
61.02905	1.6
67.05506	5.6
69.03407	5.3
69.07062	13.2
69.48566	1.3
70.16250	5.4
71.04977	4.9
71.98159	1.0
76.75929	1.0
79.05488	8.4
81.03384	1.9
81.07059	17.0
83.04989	1.8
83.08601	7.0
84.04487	1.7
85.02891	8.0
85.06519	5.7
91.05473	5.1
93.07034	13.0
95.04948	3.4
95.08603	26.6
95.09148	1.0
97.02919	1.3
97.06513	1.7
97.10184	5.7
99.08080	17.4
101.06008	1.9
103.05448	4.7
104.68076	1.1
105.07007	7.1
107.04945	2.3
107.08585	26.7
109.02847	2.1
109.06517	7.3
109.10146	11.3
110.09641	1.7
111.04411	1.4
111.08093	7.4
113.09592	2.3
115.05444	1.4
117.07042	1.4
119.08580	4.5
121.06510	2.4
121.10133	46.3
122.03629	1.8
122.10490	2.3
123.04451	1.6
123.08060	7.7
123.11701	3.7
124.05193	1.5
125.09623	6.0
127.03917	2.2
131.04909	9.0
131.08601	1.4
133.06508	1.5
133.10129	2.2
135.08040	2.2
135.11665	10.5
137.05968	23.9
137.09573	2.0
137.13235	3.9
138.06314	1.5
138.09111	3.1
139.11147	1.6
145.06421	2.0
145.08598	1.5
145.10190	1.2
149.05954	2.5
149.09659	1.4
149.13287	2.7
151.03905	5.8
151.07547	1.7
153.01804	1.7
153.12726	1.1
161.06004	3.6
161.77838	1.3
163.07532	9.4
167.07053	13.9
175.07518	3.1
177.09296	2.5
177.16371	100.0
178.16725	5.3
181.04982	5.9
181.08582	3.3
185.07077	1.9
191.07086	1.2
192.07742	1.6
193.08614	10.0
195.17438	19.3
196.13324	3.8
205.08606	2.0
213.06659	2.2
213.15042	1.6
213.18486	34.7
214.18805	2.1
225.11104	2.3
265.08414	1.4
315.12747	1.5
316.33218	1.2
343.12546	2.1
349.14038	1.2
357.13690	1.8
375.14462	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	375.2372
Annotation	Manglieside C
Peak:m/z	Relative Intensity
52.51408	1.1
53.03931	1.4
55.01852	3.2
55.05501	11.6
56.02173	1.0
57.03427	2.0
57.07049	1.8
57.68455	1.2
59.04984	2.4
61.02891	1.3
67.05505	6.2
69.03410	4.6
69.07063	13.4
69.76991	5.5
69.77405	2.1
69.97788	1.0
70.06567	2.7
71.04982	5.5
73.34370	1.0
79.05488	8.1
81.03383	4.1
81.07047	14.6
83.04974	2.3
83.08606	6.8
84.04490	2.0
84.08113	1.4
85.02888	8.0
85.06518	4.7
87.04440	5.6
91.05455	5.9
93.07034	15.0
95.04957	2.3
95.08593	25.4
97.06508	3.1
97.10147	5.0
99.04440	1.7
99.08078	19.0
101.05950	1.2
103.05485	1.3
105.07019	9.1
107.04922	3.1
107.08579	30.1
109.02863	2.6
109.06509	8.6
109.10147	9.1
111.08071	8.1
115.05412	1.4
119.04983	1.4
119.08549	3.2
121.06440	1.9
121.10125	48.4
121.88518	1.0
122.10475	1.6
122.13977	1.1
123.04435	2.7
123.08089	2.3
123.11703	3.7
125.09615	4.3
127.03880	1.9
129.07043	1.4
129.10242	1.3
131.04897	3.8
133.06450	3.3
133.10110	2.2
135.08032	2.3
135.11656	11.0
137.05960	12.7
137.13239	6.9
138.06187	1.3
139.07594	1.1
145.04951	1.6
147.04361	1.1
149.13249	4.3
151.03879	3.6
151.07512	4.6
153.05421	1.7
157.10185	1.3
159.11659	2.4
160.05084	1.4
161.05934	5.8
162.06755	1.7
163.07504	4.0
165.05486	1.2
167.07039	16.6
175.07489	3.8
177.05452	1.4
177.09094	27.0
177.16365	100.0
178.16701	3.2
179.07071	2.1
181.04941	2.7
185.07079	9.5
186.07227	1.0
191.06993	3.0
193.08572	14.8
195.10161	2.2
195.17432	18.0
196.13271	1.5
205.08498	3.2
207.06395	2.0
213.06546	7.1
213.18472	34.8
214.18805	1.5
221.11676	1.8
245.10159	1.8
253.08517	1.5
313.10626	1.5
327.12234	1.3
332.74362	1.3
345.13239	2.6
357.13354	3.4
375.15106	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	375.2372
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03925	2.9
54.40588	0.7
55.01858	5.3
55.05258	1.0
55.05502	13.8
56.11692	0.7
56.53635	0.6
57.03427	6.7
57.07057	2.4
59.04980	3.2
60.63079	0.6
61.02919	9.2
65.03918	1.5
67.05492	8.6
69.03420	24.5
69.07059	32.3
69.38297	6.7
69.70625	0.8
71.04980	9.2
71.08616	1.0
73.02900	4.6
79.05479	4.2
79.65044	0.7
81.02979	0.8
81.03415	11.8
81.07045	22.1
83.04976	7.2
83.08614	8.1
84.04490	6.1
85.02895	65.2
85.06526	19.7
87.04457	5.6
91.03940	4.0
91.05459	3.1
93.07037	12.1
95.04932	2.3
95.08591	32.1
96.08920	1.2
97.02271	1.2
97.02878	20.7
97.06520	3.7
97.10160	9.3
99.04437	5.5
99.08076	19.4
99.09222	0.7
103.03936	1.4
103.05461	0.9
105.07039	7.6
107.04919	2.2
107.08588	19.6
107.48845	0.7
108.08892	0.9
109.02872	7.5
109.06491	1.8
109.10135	13.1
110.03638	0.8
111.04435	1.5
111.08054	3.4
111.11701	6.3
113.09624	6.1
115.05419	1.9
117.07005	1.8
119.04937	1.1
119.08578	2.1
121.02791	1.0
121.06473	3.1
121.10128	28.2
122.10474	0.9
123.04383	1.9
123.08043	1.2
123.11694	9.9
125.05920	1.1
125.09596	6.8
125.13199	2.0
126.05517	1.1
127.03905	17.8
127.07516	1.3
127.11179	0.9
129.06915	1.0
129.12799	0.7
131.04929	2.4
131.08569	0.8
133.06465	4.1
135.08022	1.2
135.11673	14.8
137.05960	6.4
137.13231	17.4
138.13579	0.8
139.11160	8.4
143.08559	0.8
145.04941	16.5
145.06224	0.9
145.06546	0.8
145.08577	4.3
148.05093	0.8
149.05952	2.4
149.09555	0.8
149.13242	4.1
151.03889	2.4
151.07500	5.2
151.14836	4.7
153.05466	2.3
153.12712	12.0
161.05940	6.9
162.06696	1.4
163.06195	1.0
163.07544	2.7
165.05486	1.1
165.06969	1.3
167.07018	16.4
171.08096	0.9
175.07532	2.1
177.05608	1.4
177.09088	45.6
177.16362	100.0
178.07832	0.9
178.09438	1.6
178.16696	3.1
179.07024	2.0
181.04941	2.4
181.08565	1.3
183.06549	2.0
183.08031	1.3
191.06947	2.8
192.07814	1.2
193.08582	20.5
193.10260	1.7
195.10164	2.6
195.17424	44.0
196.05275	0.8
196.17725	0.9
203.06912	0.9
204.08620	1.0
205.08565	8.6
207.06503	1.0
209.08040	1.3
211.07579	1.5
211.16937	1.0
213.09148	1.0
213.18468	67.7
214.18820	3.0
221.11676	3.6
225.05228	1.0
225.08900	0.8
226.06111	0.9
235.07634	0.9
237.09091	1.0
238.28844	0.8
239.07054	2.2
241.08583	0.9
253.08510	1.7
255.06581	0.8
267.10297	1.5
269.08157	0.8
285.11157	2.6
287.09311	0.8
295.09637	1.2
297.11188	1.3
299.09064	1.6
307.09595	0.8
313.10580	5.9
314.11493	1.1
325.10721	1.7
327.12210	1.8
331.11633	1.2
339.12170	1.3
345.13165	6.8
357.13315	3.6
375.14545	6.4
375.23697	8.2
376.16016	3.9
376.24216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2372
Annotation	Manglieside C
Peak:m/z	Relative Intensity
50.91930	1.5
54.96309	1.3
55.01861	2.3
55.05496	5.6
57.07057	1.6
67.05495	5.9
69.03413	2.9
69.07071	11.4
70.95443	2.1
70.95787	2.8
71.04977	3.8
79.05476	3.2
81.07045	13.9
83.08611	5.7
84.04433	1.4
85.02897	6.5
85.06515	2.9
91.05463	3.3
93.07036	10.9
95.04964	2.6
95.08589	23.6
97.02871	2.0
97.06509	1.8
97.10151	4.1
99.08084	18.5
103.05447	4.2
105.07025	3.9
107.04968	1.6
107.08578	27.5
109.02785	2.1
109.10137	10.0
111.08065	6.5
113.09657	3.5
119.08577	1.6
121.10125	44.1
123.08064	1.7
123.11717	3.4
125.09598	7.6
127.03942	1.7
131.04941	10.7
133.06503	2.0
135.11662	9.8
137.05960	15.4
137.13229	4.7
139.03844	2.0
149.13260	3.9
161.05942	2.7
163.07524	9.5
165.09128	2.1
167.07036	8.5
175.07462	1.8
177.09132	1.9
177.16365	100.0
178.16710	5.6
180.70578	1.4
185.07132	2.1
193.04951	1.5
193.08554	8.6
195.17426	20.7
203.07143	1.5
207.10153	1.5
211.09616	1.7
213.06599	2.9
213.18468	37.6
214.18954	2.2
225.11055	2.6
240.34181	1.4
321.24374	1.5
357.13480	1.8
375.10696	1.8
375.14758	1.8
399.38831	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.9
55.01853	1.2
55.05479	0.5
58.44587	0.7
65.03918	1.8
67.05482	2.1
69.03405	0.8
69.07040	0.9
69.38641	6.1
71.04967	0.6
77.92371	0.6
78.54562	0.6
79.05481	4.2
81.03403	15.4
81.07025	2.4
85.02897	1.2
91.05444	4.2
93.07047	3.1
94.04131	0.8
95.04934	1.9
95.08579	2.2
98.21609	1.0
103.05428	1.8
105.07006	10.1
107.04935	3.6
107.08553	2.4
109.02856	0.8
109.06496	1.4
109.10122	1.5
115.05427	3.4
117.06970	3.6
119.04913	3.0
119.08553	1.2
121.06471	2.7
121.10114	2.0
122.03615	0.8
123.04363	2.0
123.08037	2.9
123.11754	0.7
124.86835	0.6
125.05947	1.8
128.06180	1.1
129.06979	2.6
131.04948	1.9
131.08586	1.3
132.05687	1.5
133.06459	9.9
133.10045	0.8
135.04405	1.0
135.08044	1.4
137.05959	21.3
138.06297	1.3
139.03850	0.9
141.05385	1.1
143.04868	1.2
145.06412	2.3
145.10054	0.9
147.04379	1.2
147.08051	1.4
149.05969	1.4
151.03879	30.3
151.04950	1.9
151.07509	12.5
153.05507	3.1
157.06424	3.3
160.05128	1.6
161.05971	9.3
162.06706	2.2
163.03891	0.9
163.07529	1.7
165.05438	1.6
165.09039	0.8
167.07016	26.9
168.07324	0.8
171.04292	1.4
171.08028	1.1
173.06049	1.2
174.06625	1.0
175.07539	5.3
177.09077	100.0
178.09390	4.2
179.06888	0.9
181.04922	1.8
181.06454	1.2
183.06543	1.1
187.07506	2.3
188.04729	0.7
189.09067	2.4
191.06973	1.7
193.08568	42.9
194.08978	1.1
195.06429	1.5
195.08229	1.1
195.10106	7.4
203.07018	5.9
203.10593	1.1
205.08560	13.3
206.08878	1.4
211.07620	1.0
215.07033	1.0
221.06010	0.8
221.08066	1.7
221.11661	9.3
222.06847	0.6
226.06357	0.8
233.07974	1.4
237.09050	1.5
239.07051	1.7
241.08653	0.7
243.06335	0.7
253.08612	0.8
265.08334	0.9
267.10141	0.8
269.07858	1.2
285.11133	1.4
286.08325	1.7
295.09665	0.9
299.09238	1.0
299.12622	0.7
313.10782	4.7
315.12268	0.9
321.11127	1.6
325.10669	1.7
327.12173	2.9
329.10025	1.8
329.13559	1.1
339.12186	1.4
343.12036	1.4
345.13199	3.5
357.13266	5.7
358.13586	0.8
365.58786	0.8
375.14441	4.6
375.22235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15814	0.3
53.03944	0.6
55.01861	1.1
55.05498	0.5
57.03417	0.5
64.08539	0.3
65.03935	0.3
67.05471	1.4
69.03407	0.6
69.07044	1.0
71.04983	2.6
71.62140	0.5
73.02869	0.3
78.04680	0.8
79.05485	2.8
81.03398	0.8
81.07047	2.3
83.04976	0.6
84.04492	5.5
85.02873	1.2
85.06519	1.1
91.05452	3.9
93.07040	2.1
95.04940	1.9
95.08566	1.4
95.46504	0.3
97.02851	0.6
97.06519	0.5
99.04391	0.5
99.08071	0.4
103.03903	0.4
103.05437	2.3
104.06255	0.3
105.07008	10.0
107.04938	1.9
107.08592	1.7
109.02871	0.5
109.06489	1.0
109.10129	1.4
111.04415	0.5
113.05981	0.7
113.07973	0.4
114.02710	0.3
115.05428	2.7
117.06985	2.9
119.04934	1.4
119.08532	1.1
121.06486	2.2
121.10102	0.9
122.03611	1.1
123.04479	2.0
123.08032	2.5
123.11639	0.4
124.05132	0.9
126.05475	0.8
127.03857	0.4
127.07525	0.8
128.06163	1.0
129.07005	0.8
131.04919	2.8
131.08513	0.4
132.05663	0.8
133.06473	9.6
133.10103	0.7
134.03618	0.4
134.06995	0.3
135.04384	0.6
135.08061	1.6
135.11697	0.7
136.05136	0.4
137.05951	17.5
137.09558	0.4
138.06326	0.7
139.03926	0.4
143.04874	0.7
143.05946	0.6
143.08527	1.2
145.06454	0.7
145.08563	3.2
145.10062	0.6
147.04349	0.8
147.08032	0.6
147.11664	0.4
148.03947	0.3
149.05956	1.5
149.09612	1.0
151.03873	2.3
151.04985	0.5
151.07521	11.1
152.04652	0.5
153.05411	0.8
159.11668	0.5
160.05165	0.6
161.05951	8.4
162.06735	3.3
163.07529	4.2
165.05396	0.5
165.09065	0.4
167.07008	20.7
168.07411	0.4
171.08043	0.9
173.06044	0.3
175.07512	3.9
176.96979	0.4
177.09071	100.0
177.16365	1.0
178.06168	0.7
178.09384	3.5
179.07001	0.8
180.07697	0.4
181.04942	1.4
185.07071	0.5
186.07541	0.5
187.07458	0.5
187.11290	0.4
189.09056	0.5
191.07013	1.0
192.07738	0.5
193.08569	40.9
194.08929	1.4
195.10141	6.5
195.13741	0.4
195.17332	0.4
203.03537	0.3
203.06992	1.2
203.10684	1.6
205.08543	1.0
207.06470	0.8
209.08047	0.7
213.06485	0.4
213.14705	0.5
221.08160	0.4
221.11671	8.7
227.52617	0.3
237.09088	0.4
239.06897	0.8
258.09012	0.3
264.07599	0.3
286.08484	0.4
293.11600	0.4
295.09354	0.4
313.10565	0.8
321.23923	0.3
325.14294	0.9
327.12131	0.6
329.13870	0.4
345.13385	1.0
357.13101	1.2
357.17062	0.8
375.14606	1.8
375.18369	0.4
376.15955	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1797
Annotation	Kobusinol A
Peak:m/z	Relative Intensity
51.02363	0.8
53.03922	0.7
55.01868	0.9
55.05498	0.8
63.96071	0.6
65.03918	1.0
66.04684	0.6
67.05482	2.0
69.03417	1.4
69.07041	1.8
69.60857	3.0
71.04981	3.3
78.04688	1.2
79.05479	5.2
81.03413	1.0
81.07037	4.3
82.38026	0.7
83.04959	1.0
84.04500	5.6
85.02891	2.0
85.06542	1.1
91.05472	5.4
93.07042	2.8
94.04185	2.9
95.04959	2.3
95.08597	3.0
97.06564	0.8
99.08085	1.2
103.03891	0.5
103.05450	10.3
103.66035	0.5
105.07011	6.8
106.04150	1.0
107.04938	6.0
107.08566	2.6
109.02850	1.3
109.06519	2.3
109.10144	2.4
111.08060	0.8
112.86215	0.6
114.85110	0.5
115.05435	2.4
117.06998	1.6
119.04914	1.6
119.08560	1.3
120.04473	0.5
120.08079	0.8
121.06519	1.8
121.10118	1.5
122.03629	9.2
123.04398	4.4
123.08075	1.1
123.11653	0.9
124.05186	2.4
125.06016	1.0
125.09598	0.8
126.05513	1.1
128.06158	1.1
129.06969	1.6
131.04909	17.2
131.08507	1.4
132.05713	0.8
133.06462	6.3
133.10129	0.9
135.04372	0.9
135.08020	5.3
135.11679	1.0
137.05957	100.0
138.06284	3.3
139.07465	0.7
141.07021	0.6
143.04926	1.2
143.08521	0.6
145.06439	1.6
145.08559	3.0
145.10107	1.0
147.04385	1.6
147.08028	2.1
148.03911	5.3
149.05989	2.8
149.09561	0.6
149.13208	0.8
151.03897	2.5
151.07521	11.7
151.08650	1.1
152.04639	2.0
153.05461	1.8
157.06491	0.7
157.10124	0.7
159.11659	1.2
160.05176	1.2
161.05940	5.1
161.09659	0.7
162.06732	1.1
163.07513	34.7
164.07854	1.0
165.05452	1.0
165.09106	1.6
166.04980	1.1
166.08574	1.2
167.07022	48.3
168.07422	0.8
171.07988	0.8
172.03825	1.1
174.06696	1.2
175.07532	6.7
177.05493	1.1
177.09082	16.3
177.16380	1.8
178.06087	0.6
179.07016	2.4
179.10521	0.6
181.08568	1.3
185.07098	0.8
187.07530	2.5
189.09103	2.1
190.04985	1.0
191.06969	1.7
192.07652	0.9
193.04988	0.6
193.08559	11.3
195.08070	0.6
195.10114	1.2
195.13644	0.6
195.17419	0.7
201.09041	1.3
203.06985	1.1
203.10493	1.1
204.06595	2.3
205.08578	1.5
207.06387	1.3
207.10120	1.0
211.07465	0.9
213.06511	0.8
213.18381	1.2
219.10181	2.2
221.08066	0.7
221.11705	1.3
233.09761	0.7
233.11667	0.8
237.09059	0.6
255.07710	0.6
255.11234	0.8
261.09052	1.3
265.08517	0.8
265.12247	1.3
273.12302	0.5
283.10748	0.9
293.11633	2.4
301.11771	5.0
315.12326	0.6
317.78897	0.5
321.24152	1.1
325.14291	4.6
327.12256	0.7
343.12216	1.7
345.13339	1.0
354.45950	0.5
357.12955	1.5
357.17007	3.6
375.14859	3.5
375.18204	0.7
376.15787	2.1
379.24002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11790	0.4
53.03296	0.4
55.01863	1.1
55.05492	0.7
57.03416	1.3
61.02904	1.5
61.62927	0.4
64.18340	0.4
65.94847	0.4
67.05474	0.7
69.03423	5.2
69.06985	0.4
70.08693	2.3
71.04980	1.2
72.28114	0.6
73.02882	0.4
78.03455	0.7
79.05483	2.6
81.03407	4.0
81.07057	0.9
81.18459	0.4
83.04969	1.0
85.02894	12.7
91.05476	9.2
93.07035	5.0
95.04948	1.1
97.02890	3.4
99.04433	1.2
103.03881	0.7
103.05453	0.6
105.07018	9.1
106.02913	4.1
107.03250	3.1
107.04917	0.8
107.08582	14.7
109.02821	2.1
109.06477	0.9
116.06203	0.5
117.07019	0.8
119.04915	0.5
119.08569	24.2
121.02890	0.9
121.06496	1.0
121.10141	7.3
123.08041	1.9
123.12473	0.5
124.03938	8.2
125.04285	4.3
125.09630	0.7
127.03889	2.7
129.06976	0.8
131.04857	0.6
131.08553	7.9
133.06477	1.4
133.10106	1.8
135.04367	0.5
135.08018	2.8
137.05946	1.6
137.09619	1.3
139.03915	0.5
145.04926	1.6
147.04347	0.6
147.08034	9.1
148.08372	0.4
149.05975	1.0
149.09605	10.1
151.07495	0.6
153.09087	0.5
159.08032	2.8
162.26782	0.5
163.07559	0.5
165.09093	9.7
167.07033	0.8
167.10669	4.3
177.05562	0.5
177.09099	8.4
191.06975	1.0
195.08345	0.7
195.10143	14.2
213.11192	100.0
214.11447	1.8
227.62836	0.5
250.07054	1.0
251.07373	1.9
268.08084	1.3
269.08453	5.2
375.15805	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1644
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
53.03925	1.6
55.01853	1.4
57.03420	2.6
61.02912	2.3
67.05485	1.4
69.01749	1.0
69.03442	4.9
71.04994	1.3
71.36699	2.5
73.02886	1.7
79.05470	3.3
79.38818	1.0
81.03400	7.7
81.07057	1.8
83.04945	2.9
85.02889	10.3
91.03927	1.1
91.05478	9.0
93.07044	5.4
95.01301	3.8
95.04957	2.4
97.02864	2.5
99.04432	2.1
101.06001	2.4
102.60196	1.2
103.05477	1.5
105.07021	11.7
106.02938	2.3
106.75130	1.0
107.03230	2.1
107.04941	2.8
107.08587	21.9
109.02863	4.7
109.06498	2.5
113.05959	2.0
115.05429	1.3
119.04838	2.2
119.08569	26.3
121.06501	3.2
121.10124	5.9
122.03632	2.4
123.08060	1.1
124.03937	4.7
125.04274	3.6
127.03915	8.9
127.04743	1.3
131.04871	3.4
131.08556	12.0
133.02834	1.4
133.06503	2.4
133.10086	1.5
135.04428	1.3
135.08003	2.2
137.05969	39.6
147.04373	3.5
147.08025	15.7
149.05949	3.1
149.09602	15.4
151.07492	1.5
153.05441	2.0
159.08041	2.5
161.05956	10.6
163.07555	1.2
165.05562	1.2
165.09082	13.2
165.99838	1.0
167.07045	5.9
167.10689	5.8
175.07532	4.6
177.05432	1.3
177.09088	12.9
179.07086	2.0
191.06998	3.6
195.10159	17.6
203.07048	9.0
213.11195	100.0
214.11404	1.0
221.06245	1.3
221.08051	8.3
224.04321	1.1
237.58202	1.0
239.05368	1.1
250.06927	1.0
251.07347	1.3
253.08513	1.7
267.10101	1.2
268.08264	1.9
269.08383	5.4
297.11298	2.0
309.11084	1.1
325.10840	1.6
327.12201	1.4
343.11810	1.5
345.13162	1.3
375.14828	1.3
378.46460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34007	1.9
53.03932	3.8
55.01865	2.9
55.05497	9.2
55.47353	2.1
57.03423	3.6
57.07058	3.3
61.02921	2.9
63.10882	2.3
65.03921	8.5
67.05470	5.4
69.03428	11.8
69.07059	16.1
69.44045	2.0
69.44340	22.6
69.84049	2.0
71.04996	4.5
73.02921	2.9
79.05493	5.0
81.03420	12.3
81.07043	16.4
83.04978	4.2
83.08640	2.4
84.04484	2.4
85.02895	33.3
85.06544	10.6
87.04459	3.3
91.05463	4.6
93.03397	3.2
93.07024	8.7
95.04957	6.1
95.08591	21.2
97.02885	9.5
97.06551	3.1
97.10161	3.0
99.01180	2.1
99.04491	3.1
99.08076	10.6
99.69545	2.2
103.05470	3.5
105.07011	6.2
107.04944	8.4
107.08578	9.7
108.02083	2.2
109.10142	5.3
110.03631	5.7
111.04456	6.7
111.11684	2.7
121.02850	7.1
121.10121	14.2
123.04440	5.7
123.11695	4.4
125.05984	8.4
125.09595	2.5
125.94724	2.4
127.03876	5.6
129.06979	2.6
131.04941	7.2
131.08655	3.0
135.11676	8.8
137.05965	21.4
137.13249	8.0
145.04962	6.2
145.06470	4.2
149.05966	5.0
149.13283	3.2
151.03857	16.3
153.05450	17.9
153.07039	3.5
153.12733	4.0
157.06519	3.5
160.05164	5.0
161.05998	13.8
163.03883	2.4
163.07538	3.6
165.05571	4.8
165.06964	7.2
166.07513	2.8
167.07065	22.5
167.08444	3.3
174.06613	2.6
175.07541	6.8
177.05460	3.0
177.16357	44.2
178.07704	4.0
179.07005	8.3
179.08453	2.7
181.04932	5.9
181.06485	3.3
181.08553	2.7
181.96960	2.3
182.07193	3.0
183.06526	11.1
183.07924	4.0
187.07690	2.9
191.07018	8.8
194.13792	2.3
195.08029	3.5
195.17410	20.7
197.05948	4.8
198.06850	4.2
203.06996	4.4
205.08583	100.0
206.08931	3.1
207.06351	2.8
207.08122	2.9
210.06763	3.3
211.07578	11.8
213.05403	5.9
213.18480	32.9
221.09778	4.8
223.07463	3.0
224.08385	3.8
225.09196	2.5
226.06252	9.6
239.06979	34.0
239.10564	11.2
240.07828	3.8
241.08557	2.9
251.06961	2.2
253.08566	3.3
255.06541	6.5
267.06674	3.3
267.10172	7.6
269.08078	2.2
285.08029	2.7
285.11179	12.3
286.08344	3.9
295.09619	8.2
299.09106	14.8
299.12756	9.0
313.10632	67.9
314.11383	2.9
317.13834	3.0
318.70837	2.3
325.10675	4.2
327.12134	12.6
345.13306	75.1
346.13712	4.6
357.13266	14.3
375.14716	4.7
375.23581	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	374.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
57.06818	0.6
57.07072	6.2
58.06581	1.4
67.05480	0.5
69.07052	0.6
70.06585	14.6
70.81617	1.1
71.08631	2.8
72.08146	0.6
78.55703	0.3
81.07053	0.7
85.10169	1.1
86.09666	0.3
88.07622	20.2
91.05411	0.5
93.07081	0.6
95.08587	0.8
98.39272	0.3
102.09167	11.5
103.80560	0.4
105.07004	0.6
107.08576	0.9
109.10135	0.5
119.08580	0.7
121.10043	0.3
123.08038	0.4
129.98354	0.4
132.10187	1.2
133.10068	0.4
135.08047	0.7
146.11705	0.5
147.11641	0.4
150.11194	0.8
151.07518	1.0
189.16385	1.0
251.56926	0.4
268.30014	0.8
312.32556	39.3
313.32932	2.2
356.35141	2.6
365.44836	0.4
374.36234	100.0
375.29102	0.7
375.36545	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	374.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.01860	1.2
57.03426	1.5
69.03067	0.9
69.03419	10.9
69.07050	1.8
69.48004	2.3
69.48438	2.4
70.06581	1.1
71.04992	3.8
73.02911	1.6
78.03008	1.2
78.03440	12.8
79.04260	0.6
79.05487	0.8
80.05009	1.5
81.03405	23.7
83.04969	1.2
84.04525	0.9
85.02418	1.1
85.02893	13.7
86.09686	2.3
87.18931	0.5
91.03845	0.6
91.05473	1.0
93.07040	0.9
95.01333	0.9
95.28289	0.5
96.04473	4.8
97.02879	6.0
98.21543	0.6
99.04452	3.6
100.31138	0.6
100.33080	0.5
101.05986	0.6
105.07008	1.8
106.02897	66.2
107.03230	1.3
107.04951	0.6
107.08543	1.5
109.02858	14.1
119.08572	2.2
121.10139	1.0
123.04392	0.5
123.05509	0.6
124.03934	100.0
125.04256	2.1
127.03896	9.9
131.08563	1.2
137.05960	2.0
138.09119	0.7
140.07043	2.5
145.04904	0.7
149.09596	1.4
149.36121	0.6
151.03749	0.5
152.06070	0.6
153.01816	1.3
153.05443	0.8
154.04958	0.7
159.07999	0.6
161.05956	0.7
165.09084	1.0
166.04973	2.0
167.07089	1.1
167.10655	0.9
168.06526	2.9
175.49323	0.7
175.59859	0.5
177.05489	1.1
177.09135	1.7
194.08154	1.1
195.06538	0.9
195.10135	1.4
196.06026	0.8
212.09142	2.4
212.12872	1.1
213.11182	7.1
222.07596	1.2
232.06027	4.5
244.28140	0.6
250.07063	25.0
251.07330	0.7
265.78513	0.6
268.08118	56.3
269.08533	1.5
374.14352	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	374.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
53.03937	2.5
55.01859	0.6
55.05482	0.3
57.03428	1.7
61.02915	0.6
61.07566	0.3
63.78398	0.3
69.03419	9.2
69.07056	0.5
70.81127	1.1
71.04978	4.0
73.02908	0.9
78.03443	9.8
79.04227	0.5
80.05014	0.9
81.03408	16.7
84.80942	0.4
85.02893	9.5
89.06013	0.3
91.05447	0.7
93.07037	0.6
94.43775	0.4
96.04488	3.6
96.14853	0.3
97.02875	4.6
99.04436	2.4
106.02900	54.8
107.03235	0.8
107.08539	0.6
109.02866	11.3
115.33413	0.3
119.08533	0.4
122.02695	0.5
124.03934	100.0
125.04262	1.9
126.03783	0.4
127.03899	6.7
137.05936	2.6
144.04771	1.0
145.04898	0.8
149.06036	0.4
161.05974	0.9
163.07561	0.6
166.04971	2.1
167.06995	0.5
177.05463	0.5
177.09081	0.5
189.09201	0.6
190.04982	0.4
191.06909	0.5
195.10100	0.4
203.07063	0.6
207.10136	1.2
212.09065	0.8
212.12717	0.5
213.11230	2.0
213.13191	0.3
232.06047	4.1
235.09595	0.6
250.07082	18.1
251.07382	0.8
268.08124	61.4
269.08481	2.2
374.14368	9.6
375.15366	0.6
379.94687	0.3
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
51.02370	0.9
53.03932	2.6
57.03413	1.4
61.02917	0.6
62.79049	0.4
69.03075	0.6
69.03421	10.5
70.79731	1.3
71.01339	0.5
71.04991	2.5
71.05314	0.4
73.02881	0.8
78.03438	10.6
80.04995	2.0
81.03406	19.5
85.02892	11.3
86.09695	1.6
89.05991	1.4
91.05437	0.9
96.04488	3.8
97.02882	5.8
99.04475	2.6
106.02900	60.5
107.03242	0.9
107.08582	1.1
109.02862	11.8
119.08546	1.5
120.08096	1.1
124.03935	100.0
125.04253	2.0
127.03895	7.8
127.77896	0.5
131.04863	0.5
138.09087	0.6
145.04942	1.4
147.08073	0.8
149.09502	0.6
165.09047	0.6
166.04968	1.9
166.08647	1.0
177.05457	0.7
177.09059	0.8
195.10164	1.3
202.05067	0.6
212.09137	2.5
212.12750	1.0
213.11157	5.4
227.17615	0.5
232.06015	4.6
250.07074	28.9
251.07419	0.7
268.08127	65.3
269.08466	2.2
374.14398	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	373.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.0
55.05510	10.8
56.20404	1.6
57.03423	2.9
57.07062	10.5
59.04958	1.7
60.30352	1.7
67.05499	18.7
69.03407	5.6
69.07057	22.3
70.01448	9.8
71.04996	4.1
72.02164	1.7
79.05476	12.9
81.03410	3.8
81.07042	100.0
82.07375	2.2
83.04948	2.9
83.08595	9.5
85.02907	3.1
85.06532	12.2
87.84742	1.8
91.05464	10.8
93.07028	24.0
95.04943	3.6
95.08593	48.7
97.06510	3.8
97.10177	5.2
99.04450	3.2
105.07025	15.8
107.04907	2.6
107.08570	25.2
109.02866	3.9
109.06473	8.7
109.10142	29.6
111.08056	4.5
111.11726	5.1
113.09640	2.3
117.06983	2.4
119.08565	13.3
121.06493	3.1
121.10129	23.2
123.08022	4.5
123.11691	27.2
127.03955	2.5
127.07536	6.1
131.08565	3.3
133.06442	2.8
133.10081	10.4
135.08002	6.4
135.11691	15.0
137.05969	16.6
137.13234	43.1
139.11163	2.0
145.10089	4.9
147.04449	2.4
147.11658	21.6
149.09602	3.3
149.13210	15.7
151.03848	3.1
151.07578	2.9
151.11179	5.6
153.05499	3.0
153.09126	2.3
155.14264	14.7
157.10069	2.9
159.11671	4.4
161.06009	2.6
161.13246	5.6
163.07524	3.1
163.11183	2.0
163.14799	3.4
165.12706	14.6
167.07091	9.3
167.10632	2.4
172.62750	1.8
173.13268	2.5
175.14783	4.2
177.05458	2.5
177.12779	2.9
177.16330	2.3
181.05049	2.3
181.12180	4.2
183.13795	5.7
187.07573	3.3
187.14636	2.3
191.07019	2.9
191.17853	2.5
193.08434	2.2
193.12250	4.0
195.13805	4.1
205.19487	7.2
209.15366	2.2
211.13251	2.8
227.18019	2.3
229.14362	3.3
231.01588	1.8
239.11671	2.3
259.06894	1.9
263.20145	7.2
281.20923	2.0
283.24313	3.4
291.26846	2.7
301.25296	6.1
304.21326	1.8
313.11343	5.5
319.26266	41.6
327.12085	2.0
337.27402	18.1
343.11642	2.8
355.15302	2.2
368.39734	1.9
373.13120	16.7
373.27509	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.9
55.05497	16.3
57.03420	4.1
57.07069	6.7
59.05003	1.7
64.58365	1.2
67.05496	25.2
69.03405	4.7
69.06711	2.7
69.07059	35.2
71.04978	4.5
71.08611	1.8
79.05472	13.9
81.03407	6.7
81.07048	100.0
81.58160	1.4
82.07384	1.9
83.04973	8.4
83.08611	20.9
85.02893	2.2
85.06520	17.4
91.05476	10.2
93.07036	35.1
95.04955	6.6
95.08594	59.4
97.06538	5.7
97.10158	6.8
98.21527	2.3
99.04439	7.6
99.08053	8.3
100.65092	1.4
105.07022	20.2
107.04950	2.3
107.08580	37.3
109.02859	1.8
109.06516	7.3
109.10143	38.8
111.08075	6.1
111.11734	6.2
117.07054	1.8
119.08578	18.6
121.06467	2.6
121.10122	29.3
123.08044	11.0
123.11681	23.9
125.09610	2.8
127.03893	3.2
127.07522	6.9
131.08501	6.6
133.06514	2.4
133.10118	16.0
135.08073	2.7
135.11673	26.0
137.05966	14.1
137.09644	3.2
137.13242	14.5
139.07481	1.7
139.11174	2.8
139.79053	1.3
141.09087	2.4
143.08566	3.0
145.10115	6.5
147.11678	23.0
149.09579	3.6
149.13240	18.4
151.03871	3.5
151.07451	2.3
151.11177	15.2
151.14838	2.6
153.09055	1.9
153.12755	3.8
157.10136	2.9
157.12213	1.6
159.11696	6.6
160.12033	1.6
161.09662	1.6
161.13242	8.9
163.07436	1.6
163.11218	3.9
163.14799	6.4
165.12743	14.2
165.16454	1.9
167.07014	3.4
167.14369	2.7
171.11693	4.2
173.11772	4.0
173.13269	3.8
175.11238	3.3
175.14850	3.7
177.12729	11.7
177.16350	3.0
179.10684	2.6
179.14307	2.7
181.12210	5.9
183.13811	3.4
185.13232	2.6
187.07549	2.3
187.14764	3.0
189.12775	3.3
189.16396	4.7
193.12215	11.0
193.15895	1.6
195.13805	24.2
197.13339	2.0
199.14885	2.0
201.13129	1.4
201.16403	1.9
203.17976	2.9
205.19540	4.6
207.13750	4.8
209.15308	2.7
211.13216	1.5
213.14764	7.9
227.18015	2.0
229.14273	8.3
235.16751	2.0
237.16319	1.7
249.18504	2.4
263.20007	3.0
273.25644	1.9
283.24176	3.2
301.25177	8.3
313.11795	2.8
316.42944	1.4
319.26297	49.3
320.26578	2.0
337.27386	34.1
338.27557	1.7
355.28763	2.5
373.13397	7.0
373.18637	5.9
373.23386	2.8
373.27557	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	373.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58897	1.5
55.05503	17.0
56.96561	2.7
57.03406	2.9
57.07065	10.8
59.04985	2.0
67.05498	26.8
69.03414	3.9
69.07056	44.8
71.04972	6.1
71.08604	2.2
71.42896	2.1
71.43238	1.7
74.47635	1.5
79.05479	15.8
81.03386	5.7
81.07040	100.0
83.04966	8.3
83.08604	20.2
85.02882	4.4
85.06525	15.9
91.05439	10.6
93.07028	41.0
93.13496	1.9
95.04979	8.4
95.08591	65.8
97.02872	2.7
97.06503	11.9
97.10178	8.2
99.04422	16.7
99.08071	5.8
104.40945	1.9
105.07016	21.4
107.04932	2.7
107.08581	42.7
109.02818	2.0
109.06481	12.2
109.10147	37.6
111.04424	1.8
111.08080	4.5
111.11688	6.9
115.07571	2.6
117.05421	2.0
117.06947	2.5
117.11185	1.7
119.08575	17.3
121.10123	35.3
123.08031	9.8
123.11696	24.7
124.97129	1.8
125.09588	4.3
127.07507	10.2
127.11180	1.8
131.08528	4.7
133.10117	16.8
135.08028	4.1
135.11673	28.9
137.05942	11.1
137.09647	3.6
137.13219	15.2
139.07487	2.6
139.11201	2.2
141.09137	2.5
143.08612	2.0
145.10124	6.6
147.11656	34.9
149.13245	23.6
151.07645	1.6
151.11163	28.5
151.14847	2.6
153.12724	5.7
157.10085	3.6
159.11658	6.3
161.13239	7.9
163.11179	4.0
163.14758	3.2
165.12730	17.6
165.16351	3.2
167.07074	3.5
167.10693	4.4
167.14287	4.2
169.12279	2.3
171.11644	3.3
173.13231	2.7
175.11209	3.9
175.14774	3.3
177.12726	7.7
177.16351	5.4
177.69418	1.6
179.10649	5.4
181.12192	6.8
181.61182	1.7
183.13788	3.3
185.13148	2.0
187.14880	2.5
189.12671	2.0
189.16391	3.0
191.17926	4.5
193.12210	15.1
195.13756	16.1
199.14891	2.0
203.17957	3.6
205.19493	3.6
207.13768	7.2
209.15277	3.3
211.13258	2.5
221.18904	2.3
223.16805	2.5
227.18112	2.1
229.14343	8.9
235.20354	2.3
245.05257	1.9
259.24277	2.6
263.19968	4.6
267.08856	8.7
283.24161	3.9
285.10022	16.4
301.25256	7.7
313.11624	2.2
319.26248	54.0
320.26569	3.4
337.27295	58.7
338.27603	5.6
355.28415	4.7
373.13589	7.9
373.23480	2.2
373.28217	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	373.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01857	4.1
55.05503	14.9
57.03422	4.2
57.07067	10.0
59.04973	2.8
61.02922	3.1
67.05495	27.7
69.03417	9.8
69.06712	3.0
69.07059	34.2
69.29048	1.4
69.29384	19.7
71.04982	5.0
73.02899	3.3
79.05477	19.0
81.03403	15.9
81.07044	100.0
83.04978	8.4
83.08600	15.7
85.02898	8.2
85.06525	12.3
91.05457	16.5
93.07029	35.5
95.04955	5.7
95.08595	56.0
97.02867	4.3
97.06514	9.1
97.10167	8.3
99.04436	10.2
99.08083	3.6
103.05453	1.5
105.07004	27.4
107.04940	4.0
107.08586	38.9
109.02852	6.9
109.06495	11.5
109.10144	42.1
111.04420	2.1
111.08078	4.3
111.11717	4.0
115.05447	2.9
116.01668	1.6
117.05425	1.7
117.06972	3.0
119.08571	22.1
119.42348	1.5
121.06498	2.5
121.10121	29.9
122.03580	1.8
123.04416	1.8
123.08038	5.9
123.11682	28.3
125.05961	2.6
125.09568	2.4
127.03899	4.5
127.07547	6.9
129.05475	1.9
129.07028	1.9
131.04871	3.1
131.08582	4.4
133.10109	17.9
135.07997	4.4
135.11673	23.3
137.05965	28.8
137.09612	4.2
137.13234	27.7
139.07542	1.9
139.11215	2.0
143.04907	2.4
143.08534	3.2
145.10133	6.2
147.11668	43.8
149.09579	6.6
149.13255	19.7
151.03865	3.6
151.07555	4.4
151.11147	22.5
153.05418	1.7
153.12764	2.5
155.14323	9.0
157.10065	3.5
159.11691	5.3
160.05142	2.0
161.05905	2.1
161.09567	2.1
161.13278	7.0
163.07539	4.5
163.11101	2.5
163.14752	3.7
165.12729	21.7
165.16351	3.9
166.13078	1.9
167.06989	7.7
167.10649	3.1
167.14281	3.2
169.12245	1.6
171.11662	2.6
173.09633	1.8
173.13264	3.1
175.07533	6.7
175.11145	9.0
175.14825	3.3
177.12770	3.0
177.16367	3.1
179.10657	3.5
181.04965	2.7
181.12241	7.1
183.13799	5.1
187.07535	4.4
187.11055	1.8
187.14755	1.7
189.12749	4.4
189.16367	2.6
191.14162	2.1
191.17900	2.6
193.08499	2.2
193.12221	28.9
193.15825	2.0
195.13805	6.1
199.14926	2.2
201.09036	4.1
203.10637	2.2
203.17960	3.5
205.19429	5.1
207.13788	5.5
209.15341	2.8
209.19017	2.2
211.13228	6.1
213.14751	1.8
219.06441	2.7
227.17990	2.5
229.14256	18.7
241.08673	2.8
260.86017	1.6
263.20081	5.0
269.08142	2.7
283.24164	2.4
284.10367	4.6
285.10349	6.6
291.26840	2.4
295.10410	1.6
301.25165	3.8
305.11636	3.4
313.11615	5.3
319.26276	51.5
329.15244	2.4
337.14197	5.3
337.27350	47.3
338.27765	2.4
341.14038	1.9
343.11746	1.9
345.13315	2.0
355.15237	2.3
373.13440	18.0
373.18542	5.4
373.27664	3.5
374.27698	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54435	0.4
53.03924	0.6
55.01854	0.7
55.05494	1.2
57.74274	0.4
65.03921	1.2
67.05483	2.0
69.07047	1.6
69.49774	4.0
71.04980	0.5
77.03954	0.6
77.36673	0.5
79.05479	8.7
81.03400	0.7
81.07047	4.8
83.04951	0.6
83.08595	1.3
91.05464	7.4
93.07034	3.1
95.04939	1.2
95.08597	11.4
97.06514	0.7
98.20712	0.8
100.42569	0.5
103.05440	0.9
105.07017	21.6
107.04935	1.1
107.08583	12.4
109.06504	4.6
109.10145	3.0
111.08069	0.6
119.06068	0.6
119.08564	14.7
121.10101	2.4
123.08055	7.7
123.11681	0.9
125.09583	0.8
131.08568	0.5
133.06476	22.7
133.10103	6.0
135.11685	2.5
137.05927	1.6
145.10123	1.7
147.08029	3.4
147.11661	5.2
149.09613	1.3
149.13252	2.2
151.07521	100.0
152.07880	1.9
157.09956	0.6
159.11729	0.9
161.13252	1.3
163.14879	0.8
165.09109	0.9
165.12691	0.6
167.10635	0.7
171.11623	0.6
173.13147	0.7
175.07574	0.5
185.13278	0.6
187.14798	1.2
189.16357	41.0
190.16663	1.9
203.18059	0.4
205.19466	5.6
207.17415	6.4
213.16292	1.6
310.30084	0.4
337.25201	2.9
355.26254	1.9
373.27319	63.0
374.27704	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	373.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.6
53.03930	0.8
55.01871	1.2
55.05494	2.2
57.03429	1.2
61.02894	1.0
65.03938	1.0
67.05486	3.0
69.03419	4.1
69.07059	4.0
71.04981	2.3
72.03244	0.7
73.02900	1.0
79.05480	3.4
81.03384	3.2
81.07045	12.8
83.04962	1.4
83.08617	1.2
85.02428	0.8
85.02895	11.7
85.06548	1.4
91.05465	5.4
93.07037	7.2
95.04943	2.5
95.08040	1.1
95.08595	12.9
97.02876	4.2
97.06499	2.1
98.21494	2.1
99.04417	0.9
99.08081	4.8
103.05428	0.7
105.07016	11.9
107.04919	3.5
107.08576	11.1
109.02866	2.5
109.06509	3.0
109.10139	4.6
111.08043	0.9
113.09613	1.6
113.80153	0.7
115.05489	0.7
117.06989	1.5
119.08565	42.5
120.08924	0.8
121.06494	0.8
121.10099	3.4
123.04410	1.0
123.08028	2.1
123.11696	3.5
127.03862	2.2
129.07022	1.0
131.04895	2.0
131.08565	0.9
133.06491	1.4
133.10110	57.1
134.10408	0.9
135.08034	2.1
135.11684	13.0
137.05974	8.8
137.09633	3.2
138.06345	1.2
138.16895	0.7
139.11162	0.7
141.06845	0.8
145.04953	2.4
145.06465	1.4
145.10124	1.1
147.04401	2.3
147.07971	1.2
147.11656	4.2
149.02328	4.7
149.05882	1.0
149.13211	1.4
151.03880	1.9
151.07506	1.0
153.05501	1.2
160.05214	0.8
161.05978	2.5
162.06718	1.4
163.07527	4.7
165.05563	0.9
165.09071	1.1
165.12691	1.0
167.06998	6.6
171.08046	1.1
175.07555	2.2
175.14804	100.0
176.15132	2.7
177.05473	1.4
179.06941	1.1
181.04955	0.9
187.07492	1.5
189.05492	0.8
190.37129	0.7
191.07019	1.1
191.14389	0.7
193.08586	10.9
193.12120	0.8
193.15855	14.2
195.06465	1.2
195.10159	1.9
199.08704	0.8
201.05429	1.8
203.06798	0.7
203.10658	2.1
204.12764	0.7
209.15352	0.9
211.08720	0.7
211.13106	1.1
211.16922	11.8
218.09023	0.8
219.06499	3.3
225.10133	1.3
239.06992	0.9
239.11893	0.9
253.08775	1.5
265.08548	0.8
267.11230	1.5
281.08115	1.4
283.09656	0.9
295.09436	0.8
311.08942	1.1
313.11517	6.6
314.11533	0.9
323.09174	0.8
324.53632	0.9
327.12201	2.0
337.23453	0.8
340.13031	0.8
341.10504	2.0
341.14072	1.6
343.11752	2.3
345.13257	1.0
355.11618	3.7
373.13177	17.2
374.13904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2212
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
53.78415	1.4
55.05498	6.5
57.07057	2.0
57.46548	1.4
59.04997	1.6
61.49456	1.4
63.83868	1.3
67.05498	11.7
68.05830	1.7
69.03415	6.2
69.07050	11.4
71.04971	5.1
71.16805	3.9
71.17167	1.7
73.24883	1.7
79.05482	3.7
81.03388	2.3
81.07038	18.7
83.04963	7.2
83.08600	4.3
85.02888	8.7
85.06533	4.6
91.05459	3.8
93.07034	9.3
95.04948	3.3
95.08587	31.1
97.06506	2.8
97.10147	2.7
99.08081	3.4
103.05453	3.1
105.07010	9.4
107.04948	2.6
107.08587	24.2
109.02878	1.8
109.06514	7.1
109.10134	96.8
110.10455	2.6
111.08096	3.7
113.09620	2.2
119.07694	2.1
119.08549	38.6
121.06521	2.2
121.10136	12.8
123.08059	10.9
123.11665	8.1
127.11176	1.7
131.04906	3.3
133.06506	1.9
133.10100	23.6
135.08049	2.0
135.11667	100.0
136.12027	3.8
137.05940	4.7
137.09579	16.0
137.78291	1.5
139.11186	2.8
145.04941	2.2
145.06505	1.5
147.11682	2.9
149.13252	7.3
151.11151	8.4
151.14772	10.7
152.08266	2.0
153.12720	3.1
161.05940	2.1
161.63251	1.5
162.06764	1.5
163.07538	4.6
165.12695	2.0
165.16391	1.6
167.06984	10.3
175.07469	2.1
175.14787	49.2
176.15135	2.6
177.05461	2.2
180.66904	1.5
181.04977	2.8
187.07472	2.0
191.07037	2.7
193.08754	3.1
193.15846	69.4
194.16273	2.4
195.03073	1.6
203.07178	1.5
211.16887	79.1
212.17253	2.5
219.06398	2.3
259.73917	2.2
313.11371	5.5
341.13831	6.6
355.15350	2.1
373.12875	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55860	0.5
53.03933	1.5
55.01846	1.0
55.05502	3.1
57.03414	1.6
57.07055	0.9
57.73980	0.5
61.02904	1.3
61.62436	0.5
62.02364	0.5
65.03900	0.8
67.05492	2.9
69.03417	3.8
69.07063	4.8
71.04975	2.4
71.16787	1.1
73.02892	0.7
78.16011	0.5
79.05482	3.3
81.03411	2.8
81.07045	12.8
83.04969	1.2
83.08610	1.5
85.02890	13.8
85.06524	0.9
87.04436	0.6
91.03918	0.7
91.05464	5.5
93.07026	7.7
95.04931	1.5
95.08590	15.0
97.02877	3.8
97.06507	2.2
99.04442	0.8
99.08076	3.5
103.05423	1.8
105.07008	13.0
107.04939	4.8
107.08577	10.2
109.02851	1.7
109.06474	1.9
109.10146	4.3
111.08048	0.8
113.09619	2.0
115.05446	0.7
117.06998	1.7
119.04892	0.6
119.08562	44.8
120.08844	1.1
121.06448	1.0
121.10115	3.0
123.04423	0.9
123.08019	1.7
123.11686	4.0
127.03886	2.0
131.04893	1.5
131.08553	1.9
133.10107	57.9
134.10443	1.4
135.08052	1.7
135.10664	0.9
135.11665	14.7
137.05974	5.4
137.09558	2.4
145.04930	2.1
145.06467	1.1
145.10098	1.7
147.04338	1.2
147.11676	4.0
149.02325	4.6
149.05908	0.7
149.13260	1.4
150.06667	0.7
151.03844	0.8
151.07483	0.8
151.11115	0.6
153.05431	1.1
153.09239	0.5
159.07779	0.5
159.11737	0.6
161.05936	1.2
162.06674	0.6
163.03876	1.6
163.07506	3.6
165.05513	0.5
165.09128	0.5
167.07014	5.3
174.06682	0.5
175.07474	1.9
175.14793	100.0
176.15143	3.5
177.05452	1.5
181.04860	1.0
181.08566	0.7
187.07518	0.5
189.60669	0.5
191.03409	0.6
191.07053	1.0
191.14227	0.8
193.08583	3.4
193.15860	14.1
195.06467	0.9
195.10165	2.3
199.08665	0.8
201.05396	0.6
203.10648	1.2
209.15302	0.7
211.13376	0.8
211.16934	10.1
211.97829	0.5
219.06476	1.6
225.10017	0.8
227.08049	0.8
235.81154	0.5
239.11838	0.9
251.07033	0.6
267.06461	0.5
267.11166	1.3
269.07980	0.6
279.06531	0.6
280.73157	0.6
295.10358	0.8
299.12540	0.8
313.11633	3.1
327.12183	1.3
341.10519	1.1
341.14099	1.2
343.11523	1.1
344.71503	0.5
355.11646	1.3
373.13297	8.5
374.13812	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01859	5.7
55.05498	16.5
57.03429	9.9
57.07074	1.6
59.04995	5.9
61.02913	5.7
65.03905	1.9
67.05499	24.1
69.03416	24.0
69.07058	9.6
69.41989	13.6
70.03744	1.7
70.06577	10.0
71.01334	2.2
71.04977	8.9
73.02914	4.9
73.06532	3.6
75.23876	1.5
79.05474	11.5
80.65128	1.3
81.03416	21.6
81.07047	25.7
83.04968	56.9
83.08601	2.7
84.05263	1.5
84.08150	2.1
85.02892	69.2
85.06514	2.9
86.09673	3.2
87.04449	2.2
91.03949	1.8
91.05453	13.2
93.07037	15.2
95.04946	19.1
95.08587	22.7
96.05319	2.2
97.02871	16.6
97.06520	7.8
99.04459	7.2
99.08090	9.3
101.05992	8.2
103.03901	2.2
103.05466	5.4
104.71389	1.4
105.03380	31.9
105.07020	17.7
107.04940	11.9
107.08583	12.0
109.02869	11.5
109.06513	9.7
109.10140	36.5
111.04447	2.5
111.08067	5.7
112.03952	2.8
112.07597	7.2
115.05439	2.9
117.06973	2.6
119.04925	13.5
119.08546	12.7
121.06476	4.4
121.10143	6.7
122.03665	2.8
122.46703	1.6
123.04411	14.7
123.08044	6.3
123.11707	3.8
124.07568	4.5
125.05965	4.4
125.09608	5.4
126.05476	1.4
127.03908	25.7
131.04883	3.0
131.08533	2.1
133.06473	5.4
133.10133	14.3
135.08015	9.9
135.11707	14.5
136.05202	2.8
137.05972	23.6
137.09596	100.0
140.03386	15.3
140.07037	4.5
141.01830	1.7
145.04956	8.7
147.04391	14.5
147.11642	2.1
149.05992	5.5
149.09616	3.0
150.06760	1.7
151.03915	9.9
151.07498	11.6
151.11174	3.6
153.05452	3.3
153.09067	2.1
153.12677	1.5
154.06451	3.4
155.03355	16.0
155.10669	13.7
160.05161	1.6
161.05960	5.8
161.09636	1.7
162.06749	3.3
163.03828	1.7
163.07500	13.7
163.11134	1.4
165.05461	3.0
165.09090	9.4
165.16475	2.4
167.07014	11.8
169.04926	2.8
169.06378	1.6
170.05725	61.8
173.13185	1.4
175.07555	3.9
175.14784	17.2
177.05452	5.0
179.07013	58.1
179.10458	1.7
180.07320	2.4
181.07491	3.5
183.06528	2.8
189.09059	1.8
192.07878	2.3
193.08589	32.8
193.12190	4.2
193.15852	69.3
194.08960	2.8
194.16238	2.6
195.06454	2.8
195.10110	9.6
197.08080	4.1
199.08675	30.4
211.09677	39.0
211.13080	2.4
211.16974	8.1
212.10822	1.9
212.12680	7.3
222.11180	2.1
225.10213	4.3
227.08134	25.6
235.16930	2.2
239.11775	4.4
251.73108	1.5
253.09549	3.3
266.06586	2.1
267.11185	4.8
295.10696	2.0
299.09311	1.7
299.15060	2.9
313.11716	13.5
341.10797	4.1
355.11813	2.7
373.08914	2.0
373.13815	50.1
373.18341	54.9
374.13986	3.5
376.73141	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2216
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
53.03941	3.2
53.72433	1.1
55.01863	5.0
55.05507	20.1
57.03427	6.5
57.07075	2.5
59.04996	11.9
59.30671	1.1
59.69849	1.2
61.02919	3.1
67.05495	15.4
69.03422	21.9
69.07064	18.9
69.73212	6.7
70.06586	1.6
71.01351	1.9
71.04988	10.1
73.02904	3.3
79.05483	7.3
81.03407	10.9
81.06570	1.7
81.07050	28.4
81.46589	1.2
83.01373	1.1
83.04974	100.0
83.08611	4.4
84.05317	2.0
84.08150	2.4
85.02898	47.7
85.06532	2.6
87.07075	1.5
91.03951	1.3
91.05460	6.6
93.07043	18.1
95.04950	8.2
95.08601	29.8
97.02868	8.6
97.06545	6.4
97.10183	1.8
99.04455	14.5
99.08092	3.9
101.02368	1.4
101.06046	1.5
103.03934	2.9
103.05466	2.0
105.03408	7.9
105.07024	11.0
107.04969	6.0
107.08572	17.3
108.04512	1.2
109.02879	7.2
109.06512	10.4
109.10148	33.8
111.04456	2.2
111.08085	8.8
113.06019	1.8
119.08563	22.0
121.06518	2.2
121.10137	13.0
122.07014	1.2
123.04427	1.9
123.08075	5.4
123.11710	9.1
125.09608	7.5
126.05540	2.1
127.03905	16.3
129.05504	1.6
129.10182	1.3
131.08560	1.8
133.10121	28.6
135.08040	3.3
135.11684	23.4
137.06003	4.2
137.09612	32.1
137.13213	1.8
139.03912	1.4
139.11151	1.5
145.04919	7.5
147.08002	1.8
147.11685	4.0
148.07597	1.7
149.06038	1.4
149.13271	3.2
150.09094	1.6
151.11182	3.8
153.09045	1.5
154.05013	6.7
155.10658	49.4
163.06285	1.3
163.07558	5.2
165.05525	1.8
165.16364	1.4
167.07034	5.5
168.06558	1.3
175.14810	40.1
176.15123	2.8
177.09155	2.4
177.16367	6.3
179.07047	3.5
179.10716	2.1
185.08157	1.9
189.05252	1.6
191.06993	1.5
193.15863	92.7
194.08040	6.0
194.11798	1.8
194.16190	3.6
195.10100	2.9
202.82820	1.4
211.09390	1.5
211.16991	4.4
212.09254	1.5
222.11142	1.6
267.11191	1.2
299.14981	4.2
313.11697	1.3
341.10458	2.0
355.20941	1.8
373.13763	6.4
373.18326	17.2
373.22568	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36390	1.3
53.03940	6.7
55.01840	4.5
55.05500	10.5
57.03405	4.8
57.07061	2.0
61.02920	1.5
62.33299	1.1
65.03934	2.3
67.05489	26.6
69.03069	1.9
69.03415	27.7
69.07056	15.3
69.43659	5.0
69.44090	5.3
71.04967	6.9
78.77369	1.3
79.05057	1.4
79.05481	19.8
81.03406	50.8
81.07043	87.6
82.03707	1.7
82.07343	2.2
83.04974	10.6
83.08604	8.2
85.02892	15.6
85.06533	7.9
91.04890	1.4
91.05461	27.7
93.06461	1.6
93.07024	21.1
94.04195	1.2
95.04965	9.6
95.08047	1.7
95.08587	19.9
97.02347	1.6
97.02873	15.1
97.06515	7.4
97.10114	1.8
99.04438	9.7
99.08060	5.1
101.05998	1.4
103.05470	6.0
105.07007	39.9
107.04277	2.1
107.04935	26.4
107.08579	18.3
109.02854	27.8
109.06503	8.1
109.10122	6.2
111.04386	3.8
111.07980	2.2
113.05965	2.1
115.05422	2.8
117.06975	2.1
119.08562	38.9
121.06462	3.3
121.09313	2.6
121.10120	27.3
122.03625	1.9
123.04385	5.4
123.08022	4.5
123.10805	2.4
123.11674	37.2
124.05131	1.5
125.05921	3.6
125.09557	2.6
127.03895	27.6
127.07494	5.2
128.06212	1.6
129.06937	3.4
131.04874	5.1
131.08525	3.5
133.06474	2.1
133.10118	8.5
135.04320	1.9
135.08055	6.2
135.11607	3.0
137.05956	27.3
137.09552	2.8
137.13197	2.9
138.06281	1.7
139.03873	1.7
139.07538	1.2
139.11156	1.2
141.09111	1.9
143.08527	2.3
145.04887	3.3
145.06390	1.7
145.10071	3.4
147.04381	4.2
147.08018	2.1
147.11659	100.0
148.11983	3.6
149.05931	1.5
149.09607	1.4
149.13194	2.3
151.03877	7.7
151.07457	1.4
152.06189	2.3
153.05389	2.5
153.06979	2.5
157.10060	5.4
159.04340	2.0
159.07973	1.5
159.11630	2.3
161.05919	4.6
163.07515	15.6
163.14749	1.3
165.06952	3.4
165.12727	67.3
166.13017	2.2
167.03336	1.2
167.07010	38.3
167.08388	1.3
169.06378	1.6
174.06770	1.7
175.07527	4.8
175.11145	4.1
175.14769	4.3
177.05510	2.6
179.06953	3.6
179.08441	2.4
181.04836	2.7
181.06409	2.5
181.08589	1.4
182.07133	1.9
183.08083	1.3
183.13773	15.1
185.06030	1.6
187.03813	2.2
187.07504	8.0
189.08977	1.6
191.06981	4.0
191.10631	1.5
193.08484	3.1
193.12189	12.8
193.15811	1.7
194.07243	2.3
195.08003	5.5
195.10124	8.2
197.05898	2.5
198.06679	1.8
201.05228	1.6
203.08551	1.8
205.06416	2.6
205.08420	1.5
207.07982	2.3
209.06004	1.5
210.06718	2.4
211.07474	4.4
211.13225	2.7
211.16861	2.6
219.06407	3.7
221.05887	3.0
222.06685	1.8
223.07381	5.3
224.08093	1.6
225.05460	1.6
225.10313	1.9
226.06241	2.9
227.06808	2.6
229.12091	1.5
229.14304	26.6
231.06348	2.4
234.06502	1.3
235.07378	3.2
236.04793	1.2
236.08171	2.0
237.05313	1.8
237.08997	5.3
238.06094	2.0
239.06931	5.2
240.07748	2.2
241.08505	2.0
247.07562	1.9
248.08289	1.4
249.08896	1.7
250.06210	2.9
251.06989	23.7
252.07690	4.9
253.08553	3.7
254.05586	3.6
254.09000	1.8
255.06407	1.6
255.10135	2.1
256.07233	1.6
263.06891	1.9
263.10571	2.1
264.07770	1.3
265.04779	2.8
265.08530	5.2
266.05673	2.2
266.08868	1.2
267.06491	4.5
267.10541	3.8
269.08093	3.5
269.11786	1.1
270.08667	1.5
271.09509	3.0
273.14801	1.3
280.07391	1.7
281.07913	3.6
281.11380	2.9
282.08804	2.5
283.09525	2.3
284.10229	1.3
285.07620	1.4
285.11130	2.4
291.10040	2.0
293.08035	1.5
295.09579	12.5
296.06711	1.5
297.07474	2.0
297.10944	2.4
299.09073	1.7
301.10400	2.7
309.07693	2.2
309.11044	5.7
309.16733	1.9
311.08994	2.9
313.11243	9.7
314.11386	2.3
315.08371	2.4
315.11890	1.9
323.09024	1.9
325.10648	2.7
327.12140	4.1
337.16489	7.8
341.10165	2.7
341.13773	4.4
343.11484	3.4
345.13043	3.9
355.11411	2.8
355.17584	13.1
373.12772	97.8
374.13287	8.3
386.45541	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36390	1.3
53.03940	6.7
55.01840	4.5
55.05500	10.5
57.03405	4.8
57.07061	2.0
61.02920	1.5
62.33299	1.1
65.03934	2.3
67.05489	26.6
69.03069	1.9
69.03415	27.7
69.07056	15.3
69.43659	5.0
69.44090	5.3
71.04967	6.9
78.77369	1.3
79.05057	1.4
79.05481	19.8
81.03406	50.8
81.07043	87.6
82.03707	1.7
82.07343	2.2
83.04974	10.6
83.08604	8.2
85.02892	15.6
85.06533	7.9
91.04890	1.4
91.05461	27.7
93.06461	1.6
93.07024	21.1
94.04195	1.2
95.04965	9.6
95.08047	1.7
95.08587	19.9
97.02347	1.6
97.02873	15.1
97.06515	7.4
97.10114	1.8
99.04438	9.7
99.08060	5.1
101.05998	1.4
103.05470	6.0
105.07007	39.9
107.04277	2.1
107.04935	26.4
107.08579	18.3
109.02854	27.8
109.06503	8.1
109.10122	6.2
111.04386	3.8
111.07980	2.2
113.05965	2.1
115.05422	2.8
117.06975	2.1
119.08562	38.9
121.06462	3.3
121.09313	2.6
121.10120	27.3
122.03625	1.9
123.04385	5.4
123.08022	4.5
123.10805	2.4
123.11674	37.2
124.05131	1.5
125.05921	3.6
125.09557	2.6
127.03895	27.6
127.07494	5.2
128.06212	1.6
129.06937	3.4
131.04874	5.1
131.08525	3.5
133.06474	2.1
133.10118	8.5
135.04320	1.9
135.08055	6.2
135.11607	3.0
137.05956	27.3
137.09552	2.8
137.13197	2.9
138.06281	1.7
139.03873	1.7
139.07538	1.2
139.11156	1.2
141.09111	1.9
143.08527	2.3
145.04887	3.3
145.06390	1.7
145.10071	3.4
147.04381	4.2
147.08018	2.1
147.11659	100.0
148.11983	3.6
149.05931	1.5
149.09607	1.4
149.13194	2.3
151.03877	7.7
151.07457	1.4
152.06189	2.3
153.05389	2.5
153.06979	2.5
157.10060	5.4
159.04340	2.0
159.07973	1.5
159.11630	2.3
161.05919	4.6
163.07515	15.6
163.14749	1.3
165.06952	3.4
165.12727	67.3
166.13017	2.2
167.03336	1.2
167.07010	38.3
167.08388	1.3
169.06378	1.6
174.06770	1.7
175.07527	4.8
175.11145	4.1
175.14769	4.3
177.05510	2.6
179.06953	3.6
179.08441	2.4
181.04836	2.7
181.06409	2.5
181.08589	1.4
182.07133	1.9
183.08083	1.3
183.13773	15.1
185.06030	1.6
187.03813	2.2
187.07504	8.0
189.08977	1.6
191.06981	4.0
191.10631	1.5
193.08484	3.1
193.12189	12.8
193.15811	1.7
194.07243	2.3
195.08003	5.5
195.10124	8.2
197.05898	2.5
198.06679	1.8
201.05228	1.6
203.08551	1.8
205.06416	2.6
205.08420	1.5
207.07982	2.3
209.06004	1.5
210.06718	2.4
211.07474	4.4
211.13225	2.7
211.16861	2.6
219.06407	3.7
221.05887	3.0
222.06685	1.8
223.07381	5.3
224.08093	1.6
225.05460	1.6
225.10313	1.9
226.06241	2.9
227.06808	2.6
229.12091	1.5
229.14304	26.6
231.06348	2.4
234.06502	1.3
235.07378	3.2
236.04793	1.2
236.08171	2.0
237.05313	1.8
237.08997	5.3
238.06094	2.0
239.06931	5.2
240.07748	2.2
241.08505	2.0
247.07562	1.9
248.08289	1.4
249.08896	1.7
250.06210	2.9
251.06989	23.7
252.07690	4.9
253.08553	3.7
254.05586	3.6
254.09000	1.8
255.06407	1.6
255.10135	2.1
256.07233	1.6
263.06891	1.9
263.10571	2.1
264.07770	1.3
265.04779	2.8
265.08530	5.2
266.05673	2.2
266.08868	1.2
267.06491	4.5
267.10541	3.8
269.08093	3.5
269.11786	1.1
270.08667	1.5
271.09509	3.0
273.14801	1.3
280.07391	1.7
281.07913	3.6
281.11380	2.9
282.08804	2.5
283.09525	2.3
284.10229	1.3
285.07620	1.4
285.11130	2.4
291.10040	2.0
293.08035	1.5
295.09579	12.5
296.06711	1.5
297.07474	2.0
297.10944	2.4
299.09073	1.7
301.10400	2.7
309.07693	2.2
309.11044	5.7
309.16733	1.9
311.08994	2.9
313.11243	9.7
314.11386	2.3
315.08371	2.4
315.11890	1.9
323.09024	1.9
325.10648	2.7
327.12140	4.1
337.16489	7.8
341.10165	2.7
341.13773	4.4
343.11484	3.4
345.13043	3.9
355.11411	2.8
355.17584	13.1
373.12772	97.8
374.13287	8.3
386.45541	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1488
Annotation	Syringin
Peak:m/z	Relative Intensity
51.02369	1.1
53.03938	4.9
55.01853	2.8
55.05497	1.2
57.03429	5.3
61.02909	3.9
67.05485	2.5
68.99782	0.8
69.03078	0.8
69.03424	15.2
69.07043	0.9
71.01328	1.2
71.04974	2.6
71.61646	0.8
73.02902	3.3
77.03888	0.9
79.05477	5.3
81.03398	6.4
81.07057	1.5
85.02892	45.5
87.04459	2.2
91.03934	1.4
91.05465	8.1
93.07021	3.2
95.01320	2.8
95.04953	7.5
95.08590	2.4
97.02881	11.8
99.04471	3.9
99.08073	1.6
103.05453	3.8
105.03376	100.0
105.07009	7.7
106.03689	1.9
107.04942	10.3
107.08546	2.0
109.02870	7.3
109.06548	1.2
109.10125	1.8
110.03646	1.0
113.02346	1.5
115.05457	1.0
118.04131	1.1
119.04932	15.8
119.08579	0.9
120.05779	1.0
121.02823	0.9
121.06480	2.8
123.04412	14.9
123.08061	2.5
125.05954	0.8
125.09621	1.7
125.84968	0.7
127.03893	14.0
127.04797	1.3
131.04895	1.8
131.08553	0.9
132.05614	0.8
133.06496	6.0
133.10089	0.9
135.04440	1.2
135.08037	4.4
135.11642	2.1
136.05177	2.5
137.05946	6.9
137.09613	2.2
140.03386	1.9
140.04581	0.7
140.07033	0.9
141.01784	6.5
141.05424	0.8
145.04924	5.3
147.04379	15.3
148.05138	1.0
149.05956	1.6
150.06749	2.4
150.83322	0.8
151.03893	2.2
151.07516	12.3
153.05461	1.3
155.03363	17.0
159.02936	0.9
161.05965	3.9
162.06752	1.8
163.03914	1.6
163.07532	9.3
165.05460	1.0
165.06880	0.8
165.09094	12.3
167.07005	7.2
169.04929	1.5
170.05721	82.7
171.06081	2.1
175.07529	2.2
175.14774	1.8
176.10628	0.8
177.05481	2.2
178.06252	1.9
179.07008	95.0
180.07399	2.4
183.06543	4.3
191.07010	2.4
193.08575	43.5
193.15889	1.8
194.09015	1.5
195.10207	4.5
196.07333	1.6
197.08070	18.2
199.08598	0.9
207.06569	1.1
209.08043	2.8
211.09633	58.6
211.16896	1.7
212.10005	1.2
212.12770	1.1
225.10289	1.1
239.11917	1.7
267.11240	1.5
295.11035	0.9
313.11761	3.6
341.10352	1.6
341.14096	1.7
373.08990	1.7
373.13690	14.2
373.18332	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1276
Annotation	3,5,7,8,4'-Pentamethoxyflavone
Peak:m/z	Relative Intensity
55.05508	0.7
55.50054	0.5
64.27911	0.4
67.05503	1.5
69.07044	1.0
76.98759	0.5
79.05476	1.2
81.03410	0.8
81.07038	5.1
81.08027	0.5
83.04984	0.6
85.02890	1.1
85.06538	0.7
91.05447	1.6
93.07028	1.7
94.04169	3.2
95.08583	2.9
99.08060	0.6
102.27623	0.5
105.07010	1.4
107.04940	1.1
107.08595	1.7
109.02859	2.2
109.06510	1.2
109.10146	1.7
115.05479	3.0
117.06974	0.6
119.08559	0.9
121.10125	1.0
122.03635	9.9
122.69664	0.5
123.11704	1.2
125.06014	0.6
127.03964	0.6
131.04904	1.3
133.10101	0.9
135.11668	0.9
137.05960	100.0
137.13240	0.9
138.06265	2.4
143.04909	2.0
144.05621	2.2
147.11707	1.4
149.13243	0.6
151.03896	4.2
159.04404	2.9
160.05209	5.2
163.07538	0.7
165.12732	1.2
167.07053	1.6
170.42493	0.5
171.04393	0.9
172.05148	3.4
175.07518	10.6
187.03966	2.7
187.07524	31.6
188.07794	0.7
191.06949	0.9
196.05220	0.9
199.03886	2.1
201.05377	4.7
203.06989	0.8
205.19598	0.8
211.07529	4.4
216.04189	0.7
219.06477	12.1
224.02609	0.5
229.14410	0.6
231.06483	12.7
232.06947	1.0
239.06943	2.7
256.07285	0.9
271.09628	6.1
277.08456	0.8
313.11710	1.0
319.26355	1.3
337.10712	0.9
342.22971	0.5
355.11728	2.8
373.13431	1.7
375.28519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1276
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
53.03923	0.5
66.04705	0.5
67.05461	0.5
69.03416	0.8
69.07068	0.9
69.98511	0.5
70.67466	1.5
71.04973	0.9
77.52984	0.5
79.05475	1.4
80.00060	0.5
81.03366	0.7
81.07037	2.1
85.02881	1.3
91.05453	2.2
93.07049	0.8
94.04160	3.2
95.04929	1.0
95.08586	1.2
97.06538	0.6
103.05481	0.9
104.55959	0.6
105.07025	0.9
107.04926	1.4
107.70380	0.6
109.06512	1.6
109.10120	0.6
111.04436	0.6
115.05418	2.9
117.07006	0.8
119.08587	1.0
121.10120	1.0
122.03625	8.0
123.11728	0.8
131.04907	1.1
133.10136	1.6
135.11652	0.9
137.05952	100.0
138.06284	1.7
143.04906	2.9
144.05663	1.9
147.08086	0.5
147.11638	0.8
149.13274	0.6
151.03899	5.3
159.04388	2.5
160.05186	4.6
161.05954	0.6
163.07516	1.3
167.07045	1.6
170.03499	0.5
171.04359	0.7
172.05148	3.0
175.07518	9.8
175.14816	1.1
181.04964	0.6
187.03986	2.9
187.07515	31.6
188.07895	1.3
191.06972	0.9
193.08594	0.7
193.15878	1.2
196.05106	1.2
199.03938	1.5
201.05367	4.5
203.07030	1.3
211.07474	5.1
211.16968	2.7
216.04073	0.7
218.07149	0.6
219.06482	12.1
229.14253	0.9
231.06442	10.5
239.06937	2.9
240.07799	0.9
255.06596	0.5
256.07355	0.8
271.09637	7.6
277.08459	1.2
278.09186	0.7
282.08670	0.5
283.09494	0.5
309.10934	1.0
313.11136	0.8
313.32858	0.5
315.08630	1.5
315.12079	0.7
337.10580	1.2
341.10135	0.8
343.11813	1.0
355.11578	3.2
373.12939	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	373.1122
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
53.03925	2.5
55.01857	1.2
55.05479	0.6
57.03432	3.2
61.02906	1.3
61.14897	0.5
67.05475	0.7
69.03413	5.7
69.80126	3.0
69.80541	1.2
71.04974	1.4
73.02902	1.9
77.03893	0.6
79.05479	3.0
81.03391	2.7
81.07027	1.0
83.04967	0.8
85.02891	18.6
87.04465	0.8
91.05460	3.7
93.07029	1.3
95.01319	2.6
95.04959	5.2
95.08584	1.0
97.02866	5.6
99.00788	0.7
99.04511	0.7
103.05449	2.5
105.03374	100.0
105.06987	3.2
106.03724	2.1
107.04929	4.5
108.04516	0.6
109.02858	2.4
109.06544	0.7
109.10168	1.2
113.02369	1.1
115.05455	0.8
119.04929	5.3
121.06519	1.3
123.04404	6.0
123.08024	1.6
127.03891	5.0
131.03415	0.7
131.04930	1.2
132.40457	0.6
133.06450	1.8
133.10179	0.7
135.08011	2.2
137.05945	4.1
137.09636	0.7
140.07010	0.6
141.01802	4.4
145.04926	1.9
147.04387	6.0
148.05139	0.6
149.05975	1.0
150.06755	0.9
151.03883	1.3
151.07513	4.6
155.03360	7.7
161.06023	1.1
163.07544	5.1
165.09036	4.1
167.07030	3.2
169.04942	1.4
170.05713	31.9
175.07503	1.0
177.05498	0.8
177.08934	0.6
179.07004	49.8
180.07390	0.8
191.07019	1.6
193.08565	15.0
193.15793	1.4
195.10179	1.7
196.78893	0.5
197.08047	10.8
209.08067	0.9
211.09651	17.1
239.11777	1.1
267.11172	0.8
309.11026	0.7
313.11804	2.2
327.12271	0.9
341.13718	1.7
373.13565	5.8
398.65799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.6
55.05496	1.0
66.02438	0.4
67.05479	1.3
68.25271	0.6
69.03415	0.8
69.07043	1.0
69.36208	1.7
69.36633	4.0
71.04964	0.9
72.09660	0.6
79.05470	2.5
81.03394	1.1
81.07049	3.5
83.04933	1.0
85.02891	3.6
85.06496	0.5
86.81070	0.5
91.05436	3.1
93.07017	1.8
94.04156	3.5
94.98749	0.6
95.04978	1.1
95.08611	3.3
97.06488	0.7
97.10155	0.5
98.21478	1.2
99.08091	0.7
103.05443	1.8
105.07008	2.0
107.04926	2.8
107.08575	1.9
109.02843	0.5
109.06499	2.2
109.10121	4.4
110.03626	0.7
110.79769	0.5
111.08063	1.3
115.05419	3.6
117.06990	1.4
119.08540	3.2
121.10123	2.3
122.03621	8.7
123.04448	0.8
123.08035	1.8
123.11660	1.7
127.03955	0.8
127.99596	0.5
128.06212	0.7
131.04909	2.5
131.08527	0.6
133.06491	0.8
133.10095	2.4
135.11662	2.4
137.05952	100.0
137.09515	4.0
138.06288	2.9
143.04893	2.6
144.05679	2.7
147.11681	1.0
148.80421	0.5
149.13260	0.9
151.03873	6.3
151.66280	0.6
153.05443	1.1
159.04359	1.8
160.05188	5.3
161.05939	1.3
163.07530	2.2
165.12689	1.3
165.16560	0.5
167.07033	5.2
171.04391	0.6
172.05141	3.4
173.05862	0.6
173.13249	0.6
175.07516	12.9
175.14789	4.1
179.06955	0.8
181.04976	1.0
181.08508	0.7
187.03992	3.2
187.07509	33.4
188.04689	0.5
188.07843	1.6
189.05365	0.8
189.07065	0.5
191.07053	1.7
193.08597	1.6
193.15849	3.2
196.05159	0.8
199.03853	1.9
201.05344	4.0
203.07079	0.6
206.07040	0.6
207.08151	0.8
211.07481	5.0
211.16893	13.0
213.05455	0.5
213.37650	0.6
219.06444	11.5
219.08197	0.9
219.09935	1.1
220.72852	0.6
227.06790	0.6
231.06441	9.1
234.06732	1.1
235.07500	0.9
237.09041	0.7
239.06917	2.8
240.07768	0.6
247.07385	0.8
249.09062	0.8
251.07103	0.7
253.08614	1.3
262.06113	1.0
263.06921	0.7
263.10495	0.6
265.08655	0.9
267.06671	0.7
271.09616	5.9
272.09863	0.8
277.08533	1.9
281.08002	1.1
293.08041	0.7
294.60010	0.6
295.09531	1.2
305.08136	0.6
305.11389	0.6
309.11237	1.2
313.11603	1.5
315.12277	0.7
325.10687	0.9
327.12259	1.1
327.45349	0.5
329.13760	0.8
337.10568	1.6
341.13568	2.8
355.11633	3.5
373.13040	3.3
373.16513	3.1
374.13037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.7
57.03425	13.4
59.04982	2.3
61.02930	9.4
63.31759	1.4
69.03416	22.3
71.04990	2.0
72.04524	1.9
73.02909	15.9
81.03410	6.9
83.04967	1.8
85.02895	100.0
87.04458	5.8
90.63078	1.4
91.03952	5.5
97.02879	32.4
97.81194	1.8
99.04433	4.4
103.03919	2.5
105.07033	4.5
109.02869	9.1
111.08099	1.4
115.03922	9.6
117.06985	2.2
119.07268	2.9
120.08106	4.0
127.03906	31.0
127.08738	1.5
129.06999	1.9
133.04936	15.2
145.04941	66.3
146.09645	5.8
150.07666	4.1
150.08954	1.5
163.05997	36.9
164.10698	82.9
165.11003	1.8
192.10191	2.1
210.11230	94.6
211.11450	1.7
223.11783	7.8
230.39427	2.1
241.07059	1.9
259.08136	2.0
351.96649	1.7
372.16495	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	372.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01859	0.7
57.03424	1.7
59.04974	0.4
61.02919	3.0
62.06083	0.8
65.83548	0.3
69.03423	6.4
69.46507	0.3
70.79685	0.8
70.80057	0.7
71.04964	1.0
72.04512	1.3
73.02906	1.8
79.05499	0.8
81.03402	3.1
85.02895	19.8
87.04465	1.3
91.03925	1.2
91.05426	1.9
97.02870	6.4
99.04442	1.0
103.05441	2.8
105.07020	3.4
107.04939	1.0
109.02856	2.2
115.03915	0.6
117.05756	0.5
117.07010	1.6
118.06532	1.6
119.07310	3.0
120.08095	3.6
127.03886	4.2
129.06989	3.2
131.04887	1.1
131.07306	0.6
133.04933	0.7
138.94815	0.4
144.08145	0.5
145.04938	5.8
146.09637	6.8
149.05913	0.4
163.05960	2.1
164.10690	96.5
165.11037	2.1
192.10185	1.6
210.11221	100.0
211.11534	2.2
223.11931	0.4
305.83942	0.4
326.15961	0.4
336.14508	0.5
372.12299	0.6
372.16565	8.5
395.45743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46071	1.1
55.01862	3.8
56.34569	1.3
57.03428	15.2
59.04996	8.3
59.79307	1.2
61.02925	8.7
69.03423	37.2
71.01349	1.4
71.04990	2.5
71.52622	2.5
73.02547	2.1
73.02912	24.1
73.04747	1.6
75.04465	1.4
81.03415	5.2
83.04974	1.6
85.02896	100.0
85.53194	1.2
87.04459	22.9
89.06004	2.5
91.03961	7.0
91.05788	7.2
92.05731	1.5
97.02879	44.9
97.22756	1.1
99.04459	4.5
99.79262	1.3
105.05504	4.1
109.02892	6.8
115.03920	34.4
127.03903	34.5
133.04950	39.6
139.03876	2.7
145.04947	58.5
146.02786	1.3
150.07610	5.2
151.03864	1.9
163.06001	32.9
164.10698	2.1
170.05733	2.5
210.07658	3.1
210.11287	3.2
221.74434	1.3
223.11746	8.4
231.08652	2.4
241.07040	3.0
249.09657	3.3
259.08081	3.8
261.12045	1.3
262.61734	1.5
269.97873	1.2
277.09216	1.7
285.00867	1.5
286.01004	3.8
295.10214	3.9
303.58606	1.2
319.13766	2.2
356.07114	4.1
397.95602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.05503	13.6
57.07059	5.8
59.18935	2.6
67.05495	25.2
69.07066	33.4
71.08607	2.5
76.43268	2.2
77.40157	2.4
79.05473	21.0
81.07041	68.6
83.08601	13.8
85.06538	4.5
91.05448	17.6
91.05903	2.0
93.07030	56.7
95.04945	5.1
95.08592	95.9
97.06520	4.5
105.07008	29.4
106.12944	2.4
107.08575	100.0
109.06478	3.8
109.10139	55.7
111.08078	17.0
111.11606	3.1
119.08561	37.6
121.10122	69.5
123.08048	2.7
123.11697	56.0
125.09608	3.5
131.08563	5.5
133.10112	24.0
135.11670	40.4
137.13229	12.5
139.11143	2.8
145.10103	6.4
147.11661	29.2
149.13228	51.3
151.14726	3.6
151.95555	2.5
153.12706	3.5
159.11697	7.5
160.12753	2.7
161.13235	26.3
163.14799	45.0
166.69225	2.5
167.14325	11.6
173.13234	4.5
175.14804	10.6
177.16322	5.8
179.14241	3.2
179.17859	2.4
181.15852	6.4
187.14795	7.3
189.16373	37.0
191.14163	2.9
191.17906	89.4
191.19576	5.5
193.15808	3.2
201.16454	11.8
203.17917	62.4
205.19441	14.3
207.17337	4.0
215.17836	4.4
217.19518	34.0
223.20551	6.1
229.19528	3.7
342.03952	2.6
353.31964	8.2
365.53906	2.6
371.25601	5.1
371.33057	77.8
372.33411	3.5
383.70679	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	6.9
55.01865	5.6
55.05498	15.8
56.09903	2.7
57.03418	5.0
57.07050	13.4
59.04984	4.5
63.60659	2.7
64.26786	2.9
65.03921	4.6
67.05496	30.3
69.03408	20.0
69.07063	43.2
69.36890	26.6
71.04975	13.1
71.08602	9.0
79.05473	31.4
81.03403	40.8
81.06573	5.5
81.07043	100.0
83.04949	15.3
83.08591	12.1
85.02412	2.8
85.02889	16.2
85.06541	18.4
88.30742	3.2
91.05448	25.6
91.30377	2.8
93.07029	83.5
95.04958	11.8
95.08595	55.7
97.02853	5.8
97.06499	21.1
97.10168	5.4
99.04437	17.5
99.08104	5.5
99.90160	2.6
101.05962	4.8
103.05444	6.3
105.07014	60.3
107.04935	21.5
107.08581	74.0
108.08908	3.1
109.02856	13.6
109.06493	18.6
109.10136	70.1
109.46585	3.0
111.04444	4.4
111.08058	9.2
111.11737	5.3
113.05946	4.3
115.07552	3.0
117.06992	9.1
119.04932	4.1
119.08583	32.8
121.06464	13.7
121.09300	6.4
121.10132	78.6
123.04394	8.2
123.08023	8.0
123.11682	61.7
125.06005	5.4
127.03904	30.2
127.07550	9.5
127.11203	7.7
128.06227	4.3
129.05443	4.0
129.06990	12.7
131.04945	5.4
131.08524	17.1
133.06439	10.7
133.10109	44.5
135.04417	5.1
135.08022	11.9
135.11664	47.3
137.05977	35.7
137.09587	7.9
137.13229	9.8
139.07550	6.6
139.11063	3.9
141.12749	7.5
143.08546	3.4
145.06453	4.6
145.10063	23.7
147.04329	6.4
147.08000	4.5
147.11671	41.6
149.05952	6.4
149.09576	21.5
149.13272	14.9
151.03865	10.2
151.07518	8.5
151.11160	44.6
153.05432	3.9
153.12784	14.6
157.06471	4.9
157.10100	6.6
159.07973	5.0
159.11668	9.2
161.05971	10.8
161.09520	6.8
161.13266	6.2
163.03922	8.2
163.07478	5.5
163.11168	43.7
163.14746	18.3
165.05482	7.2
165.09094	4.4
165.12723	24.2
167.07030	55.8
167.10655	17.1
168.07347	3.4
169.06372	3.9
169.08492	4.5
169.12189	8.2
171.13808	3.4
173.09578	4.6
173.13269	7.6
174.06763	5.0
175.07483	8.0
175.11169	20.0
175.14819	7.4
177.05522	6.1
177.08986	4.0
177.16304	4.0
179.10577	16.3
181.04877	10.6
181.12210	47.5
187.07510	16.1
189.06990	3.8
189.09048	12.6
189.16396	4.0
191.07047	6.8
191.09036	3.2
191.10634	18.1
191.14313	12.3
191.17902	4.0
193.08588	7.4
193.12216	48.6
195.13795	12.1
199.07539	3.9
199.13231	8.3
201.09068	3.1
203.08543	5.1
203.17963	7.3
205.06740	3.3
206.07242	5.8
209.11717	12.1
209.15285	6.9
211.13251	12.5
215.12737	5.9
217.06598	4.2
217.08498	15.5
218.07219	7.2
219.07974	11.0
221.08063	9.3
223.07498	3.3
224.08336	3.6
227.12741	13.8
229.14255	18.4
233.09607	7.1
234.06694	6.2
235.07469	13.8
236.08331	6.0
247.07410	7.5
247.09697	4.3
249.09163	16.0
250.09784	7.0
251.06911	6.3
251.10649	4.5
252.07741	6.6
253.08516	3.4
261.09085	16.6
262.06299	4.0
262.09485	4.1
263.06952	11.6
264.07663	7.0
265.08606	9.5
266.09341	9.3
277.08466	28.8
278.09180	10.2
279.06494	3.3
279.09985	7.4
280.07272	5.0
281.08057	8.5
281.11697	8.5
282.08646	5.8
283.09628	7.4
289.08591	5.7
291.10184	4.2
293.08276	8.1
293.11697	13.9
294.08594	3.9
295.09445	5.9
296.10318	6.5
297.11203	9.1
299.23483	4.4
300.09833	7.9
307.09650	13.4
307.12958	3.6
309.11105	16.8
311.09476	6.9
311.12729	9.0
312.09592	3.9
313.10471	4.0
317.21222	5.2
317.24719	26.4
321.11346	15.0
325.10492	8.1
325.14426	10.2
327.12167	7.4
335.12628	3.9
335.22156	6.3
335.25806	30.7
339.08371	4.7
339.12241	66.0
340.12686	9.2
341.13693	8.2
353.13724	28.9
353.27060	4.3
371.15094	86.7
371.26205	3.2
372.15216	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	371.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01857	4.6
55.05503	51.9
57.03428	8.1
57.07046	2.7
59.04987	5.6
61.91563	0.9
63.20124	0.8
65.03915	2.9
67.05493	100.0
68.05809	1.1
69.03422	5.6
69.07055	10.3
71.04976	4.3
71.08609	1.1
79.05480	29.1
81.03415	4.8
81.06578	1.8
81.07045	28.5
83.04974	4.6
83.08138	1.5
83.08608	21.5
83.75826	0.9
85.02895	2.3
85.06512	4.0
87.04437	1.1
91.05460	9.0
91.38130	0.9
93.07030	6.3
95.04932	3.6
95.08599	10.9
97.02899	2.1
97.06508	1.6
97.10156	33.9
98.10471	1.0
101.05985	2.8
105.07003	5.1
107.04894	1.1
107.08577	19.2
109.06494	2.0
109.10139	76.7
109.75524	0.9
110.10464	1.6
111.04388	1.2
111.08041	3.7
117.07039	1.5
119.08565	10.1
121.10071	3.5
123.08038	1.4
125.09612	37.2
129.05403	1.3
131.08519	2.0
133.10101	3.5
135.07982	2.0
135.11652	1.8
137.05923	2.8
137.09586	7.0
143.03372	1.1
143.10677	8.6
145.10080	1.7
147.06491	2.3
147.08034	1.1
147.11665	1.9
149.09595	1.9
149.13211	1.4
153.08965	1.3
155.10603	4.8
161.09549	1.1
161.13216	1.1
165.12633	1.1
167.06972	1.3
173.11713	37.2
173.13148	1.3
189.11096	1.3
189.16374	1.5
199.13255	14.4
209.15366	2.8
229.14297	11.7
230.14705	1.0
276.81097	0.9
290.14941	0.9
353.23837	3.1
371.16565	3.8
371.24249	81.3
372.24481	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	371.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01847	1.2
55.05488	2.4
57.03407	2.1
59.05017	0.7
61.02925	3.4
67.05484	2.4
69.03071	1.0
69.03421	15.9
69.07038	2.8
70.90768	2.0
71.04985	5.5
73.02902	0.8
79.05468	3.1
79.29132	0.7
81.02922	0.7
81.03403	14.1
81.07050	5.1
83.04944	2.8
83.08630	1.0
85.02895	24.0
85.06500	0.8
87.04437	0.9
91.03941	1.7
91.05470	3.6
93.07021	7.2
95.04956	3.6
95.08585	5.6
97.02874	7.3
97.06483	1.1
99.04438	3.0
105.07014	5.5
107.04918	1.5
107.08578	10.7
108.08871	0.8
109.02863	7.5
109.06505	6.1
109.10135	3.1
111.08063	1.7
116.56126	0.6
119.08546	3.7
121.06465	2.7
121.10133	11.3
123.04384	0.8
123.08061	4.3
123.11720	3.4
125.09621	1.5
127.03899	9.6
129.06944	0.6
129.45593	0.7
131.08545	2.3
133.10121	5.1
135.08008	5.7
135.11667	2.4
137.05957	3.0
137.09598	9.2
137.13210	1.1
139.11153	1.7
142.29170	0.7
145.04936	5.7
145.10106	3.6
147.11630	2.3
149.09587	14.7
149.13290	4.2
150.09915	0.8
151.03906	0.8
151.11154	11.9
153.09044	1.0
162.03928	0.8
163.11136	5.7
163.14819	1.3
165.12729	30.2
165.14113	1.6
166.13043	1.9
167.06990	2.2
167.10660	2.5
173.09569	1.1
173.13213	3.2
181.12215	1.9
191.10689	4.8
191.14278	21.8
192.14540	0.8
193.15854	1.4
197.06895	0.9
209.15338	100.0
209.83849	0.8
210.15633	4.2
215.08226	2.0
217.08484	1.3
227.12741	2.2
243.07481	1.0
277.08594	0.9
283.09644	1.9
295.09534	1.2
297.11215	0.8
313.10733	0.9
314.59244	0.9
321.11105	1.2
328.13040	2.1
339.12125	1.8
353.13583	0.9
371.15103	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	371.2059
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
52.37434	1.4
53.03936	3.8
55.01862	3.9
55.05502	14.1
57.03423	4.6
57.07049	1.6
59.04973	3.0
61.02909	1.7
65.03944	2.5
67.05503	10.7
69.03421	16.4
69.07060	14.6
69.31237	17.4
71.04982	6.1
77.03917	1.8
79.05489	17.4
81.03407	15.6
81.07045	24.3
81.55766	1.5
83.04970	18.0
83.08605	4.2
85.02892	13.0
85.06528	3.9
91.05451	14.1
93.07033	42.9
95.04963	9.4
95.08595	29.9
97.02898	5.8
97.06524	7.8
99.04438	3.5
99.08087	5.0
103.05444	1.7
105.07019	20.5
107.04935	7.2
107.08575	54.1
109.02872	10.4
109.06517	15.3
109.10145	24.6
111.04441	5.0
111.08089	8.4
117.06980	3.4
119.08560	13.9
121.06512	8.1
121.10135	29.3
122.03607	3.0
123.04395	4.0
123.08051	43.0
123.11729	3.1
125.09640	4.5
127.03902	10.4
127.07537	9.9
129.06989	2.4
131.08551	14.0
133.06480	2.0
133.10107	20.9
135.08038	16.0
135.11664	9.3
137.05960	21.4
137.09598	12.5
139.07520	3.3
139.11191	4.2
139.89749	1.8
141.09067	13.8
145.06450	3.4
145.10130	9.1
147.04410	2.0
147.08081	2.3
147.11676	5.2
149.05957	2.3
149.09608	10.3
149.13239	17.0
151.03900	6.1
151.07552	3.1
151.11200	10.1
153.01796	1.8
153.09094	16.3
154.09871	9.7
155.10619	8.6
156.05721	2.3
157.47966	1.5
158.10867	2.4
159.07993	2.9
159.11696	2.8
159.48827	1.6
161.05948	5.9
161.09634	2.2
161.13251	3.1
163.07584	3.4
163.11140	9.8
163.14821	8.9
167.07016	15.7
167.10709	6.8
173.13258	19.5
175.07530	3.8
175.14880	2.3
177.05417	2.4
179.07129	2.5
179.14359	2.3
181.12195	2.7
183.09921	1.6
187.07536	2.6
189.09068	2.5
191.07030	2.3
191.10593	8.4
191.14279	35.3
193.08597	6.2
196.52710	1.6
207.06360	2.0
207.08086	1.9
209.08073	5.3
209.12131	2.8
209.15334	100.0
210.15669	5.6
217.08553	9.6
219.08095	2.2
219.10202	2.2
221.15341	5.1
227.12807	5.9
233.09557	1.9
234.06799	1.9
247.07411	1.7
247.09657	2.2
263.06836	2.4
264.07782	2.1
278.08972	1.7
279.06564	1.5
285.07486	1.6
293.11914	2.0
295.09613	1.8
300.09735	2.1
309.11255	3.0
321.11093	3.1
323.09128	1.8
339.12439	2.8
341.13754	1.9
353.13971	6.4
371.10852	10.5
371.14725	10.0
379.93542	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2058
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03944	0.6
54.00169	0.4
55.01851	1.3
55.05495	1.4
57.03419	1.1
57.32370	0.4
59.04993	0.5
61.02905	1.1
65.03939	0.9
67.05486	2.5
69.03413	5.0
69.07043	1.8
71.04981	5.1
71.39584	0.6
71.39921	0.7
73.02894	0.4
76.12334	0.4
79.05488	1.4
80.40790	0.3
81.03406	3.3
81.07043	3.1
81.81767	0.4
83.04966	1.6
83.08601	0.9
85.02891	10.7
85.06520	1.4
91.03951	0.4
91.05471	2.5
92.80162	0.5
93.07029	3.7
95.04954	100.0
95.08582	2.4
96.05294	1.4
97.02894	2.8
97.06506	1.4
99.04440	21.2
99.08082	1.5
105.07020	2.1
107.04923	0.8
107.08589	5.3
109.02840	1.2
109.06490	1.8
109.10152	2.9
111.04464	0.5
111.08075	1.7
119.08601	1.4
121.06522	2.5
121.10125	4.1
123.08024	0.7
123.11672	0.6
125.09593	1.1
127.03919	2.5
131.08553	1.5
133.06429	0.6
133.10106	5.9
135.08034	2.2
135.11652	1.1
137.05975	1.7
137.09598	1.1
139.11188	1.0
145.04987	1.3
145.10097	1.4
147.11661	3.6
149.09628	2.5
149.13243	2.4
151.07539	0.6
151.11162	7.3
152.26831	0.4
153.09077	33.0
154.09444	0.5
158.10930	0.5
161.05962	0.8
161.09602	0.5
163.11159	1.4
163.14810	1.8
165.12752	0.5
167.06995	2.8
173.13228	5.3
175.07547	0.6
177.05588	0.5
181.04955	0.5
181.12231	0.6
187.07664	0.9
189.09071	0.6
191.07021	0.9
191.10695	0.8
191.14278	16.7
193.08598	1.0
193.15892	0.6
209.15332	42.7
210.15723	1.5
217.08542	1.3
235.07393	0.7
236.08243	0.6
239.07170	0.4
249.09177	0.5
252.80170	0.4
261.09070	0.5
265.08481	0.6
283.09653	0.5
300.09784	0.5
307.09732	0.7
309.11163	0.4
327.12381	0.9
339.12280	1.5
340.12863	0.5
341.13596	0.7
353.13821	1.2
371.11005	0.6
371.14880	4.3
371.19391	0.5
371.20871	0.5
372.15503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2057
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
57.03421	1.5
57.07038	2.0
67.05469	2.8
69.03407	4.3
69.07050	2.9
69.41715	15.5
71.84232	1.5
74.35750	1.5
78.78776	1.6
79.05465	4.6
81.03414	3.5
81.07031	7.7
85.02892	3.2
85.06478	1.7
91.05463	4.9
93.07024	4.4
101.90378	1.5
105.07021	8.1
107.04963	3.0
107.08595	15.8
108.08961	1.8
109.06514	7.4
109.10132	5.5
110.40967	1.7
113.22905	1.6
117.06973	2.6
119.08517	2.3
119.88501	1.5
119.90363	1.5
121.10116	11.2
122.07265	2.0
123.08081	1.6
127.03883	4.7
131.08577	1.8
133.10114	100.0
134.10480	4.9
135.08061	10.7
135.11635	2.8
137.05992	9.1
137.09599	53.1
145.06543	1.7
145.10173	1.8
149.09601	2.3
149.13260	13.4
150.06671	1.9
158.10878	2.0
163.11189	4.0
163.14825	2.6
167.07004	4.9
167.10684	2.1
173.13258	5.8
191.10597	2.8
191.14273	47.5
209.15312	12.0
217.08641	4.5
247.07457	2.1
247.09735	2.4
261.09256	2.2
273.59378	1.9
273.77414	1.5
277.08691	1.7
283.95078	1.7
285.07486	3.4
300.09848	5.6
301.10400	2.3
302.65842	1.9
309.11078	2.1
321.11026	3.4
339.12146	6.6
353.13803	6.9
356.30817	1.8
371.14886	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	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01844	1.4
55.05497	2.6
57.03440	1.9
58.49074	1.1
61.02927	1.7
67.05497	5.3
69.03418	13.0
69.07063	2.3
70.97009	3.1
71.04995	2.4
79.05469	6.2
81.03403	9.1
81.07043	10.1
83.04971	2.6
83.08611	1.6
85.02887	15.9
85.06525	1.6
91.05469	5.9
91.16338	1.0
93.07022	10.1
95.04958	29.9
95.08606	4.2
97.02886	4.2
97.06493	2.1
99.04420	5.7
105.07010	8.2
107.04945	3.4
107.08588	18.0
109.02872	4.2
109.06516	8.1
109.10158	4.8
111.08092	2.4
114.91178	1.3
117.06986	1.7
119.08580	3.2
121.06527	3.0
121.10131	17.1
122.07294	2.8
123.08038	3.5
127.03907	7.5
127.76967	1.1
131.04947	1.7
131.08514	5.4
133.10115	100.0
134.10481	4.0
135.08069	11.3
135.11687	2.9
137.05977	13.7
137.09604	49.8
138.10043	1.3
144.05788	1.2
145.04964	3.2
145.06552	1.3
145.10129	3.4
147.04402	4.4
147.11682	3.1
149.09560	5.8
149.13229	13.2
151.03842	1.3
151.07561	3.0
151.11162	6.0
153.09094	9.1
156.05708	1.7
161.05972	3.0
163.11212	5.0
163.14792	2.6
165.12764	14.8
167.07025	7.4
167.10654	2.4
172.05235	1.2
173.13257	7.2
175.07552	3.0
181.04918	2.0
181.12263	1.6
187.06041	1.2
187.07555	4.0
191.06868	1.3
191.10710	4.0
191.14299	48.8
192.14670	2.1
193.08551	1.2
199.07581	1.3
209.15349	60.4
210.15683	3.1
217.08615	6.5
219.10094	1.6
221.09665	1.5
227.12720	2.1
249.09068	2.4
263.06998	2.7
277.08463	2.4
285.07669	1.4
289.08383	1.5
293.11642	2.3
295.09634	2.2
300.09689	2.2
307.09604	1.4
309.11099	2.8
321.11166	4.0
326.11542	1.3
327.12134	2.2
339.12259	2.8
341.13763	2.1
353.13477	5.4
371.14697	10.8
371.20297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.01852	2.1
55.05487	4.8
57.03416	4.1
61.02906	2.6
61.14684	1.7
67.05489	3.3
69.03427	18.9
69.07050	4.8
69.57704	11.5
69.58109	2.4
71.04965	3.5
73.02885	2.3
76.81181	1.5
79.05486	9.4
80.49344	1.5
81.03399	13.5
81.07049	13.1
83.04949	4.2
85.02415	2.5
85.02892	29.1
85.06544	3.4
91.05463	7.3
93.07011	10.3
95.04947	32.6
95.08600	8.3
97.02874	7.7
97.06494	2.3
99.04440	12.1
105.06985	10.2
107.04916	4.2
107.08578	25.3
109.02862	6.5
109.06505	9.3
109.10132	7.6
111.04420	2.1
117.06982	4.7
119.08588	5.8
121.06464	5.3
121.10123	22.0
122.07275	5.2
123.04432	1.9
123.08067	5.8
127.03899	12.1
128.06241	1.9
131.08563	5.7
133.10112	89.6
134.10474	3.6
135.08028	13.5
135.11710	2.6
137.05968	24.1
137.09592	51.5
145.04913	4.6
145.10092	4.7
147.04384	4.3
147.08089	2.1
147.11635	4.3
149.09615	11.5
149.13231	15.6
151.07591	3.5
151.11180	11.6
153.09068	9.9
156.05650	4.8
157.06403	2.3
159.08078	2.5
161.05975	4.4
163.11115	9.9
163.14751	3.1
165.12746	31.8
167.07007	11.8
167.10652	5.5
169.06395	1.8
173.13226	7.0
174.06793	2.3
175.07549	4.0
187.07518	5.7
191.10645	6.6
191.14278	46.9
192.14622	2.3
193.08557	3.6
209.11905	3.8
209.15337	100.0
210.15709	5.3
217.08514	8.6
227.12761	4.9
248.07951	1.9
249.09071	3.9
251.07027	3.9
251.09505	2.0
252.24341	2.4
261.09265	2.5
263.06989	3.5
269.44186	1.7
277.08655	2.9
278.09024	1.8
285.07629	3.0
293.11728	3.0
295.09521	3.4
297.11331	2.5
300.09787	2.0
309.11230	4.7
321.11096	3.7
326.11417	3.8
327.12180	2.4
339.12381	3.6
341.13901	4.0
353.13651	9.0
371.14575	14.1
372.15427	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	371.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.5
55.01837	8.2
55.05493	10.6
57.03386	5.8
61.87639	2.0
67.05486	13.2
69.03420	31.5
69.07059	14.0
71.04996	11.1
71.62466	3.3
73.02865	2.7
79.05478	27.0
81.03404	100.0
81.07044	34.0
83.04921	6.9
83.08561	2.5
85.02891	17.4
85.06474	7.6
91.05468	32.6
93.07030	60.7
95.04871	8.8
95.08620	12.9
97.02811	8.7
97.03347	1.9
97.06512	10.6
99.04440	22.8
103.05408	5.1
105.07022	35.2
107.04954	15.3
107.08579	43.5
109.02869	43.7
109.06513	10.9
109.10063	7.5
111.04377	2.5
111.08061	10.2
113.05920	2.7
115.05370	2.5
117.06919	7.6
119.04871	2.2
119.08558	24.1
121.06493	20.3
121.10130	46.7
122.03579	5.1
123.04332	3.7
123.07962	6.8
123.11614	2.6
125.09568	3.8
126.11217	1.9
127.03899	68.7
127.07476	3.5
128.06111	4.0
128.20587	2.0
129.06889	8.4
131.04811	8.3
131.08545	11.7
133.02788	2.4
133.06415	4.7
133.10048	4.6
135.07935	8.8
135.11662	16.1
137.05954	58.6
137.09494	6.0
138.06215	2.4
139.07486	3.3
139.11102	4.0
141.06909	2.2
143.08470	3.5
144.05623	4.9
145.04863	2.2
145.06351	3.5
145.10092	31.9
147.04353	3.5
147.07947	3.1
147.11562	5.5
149.05881	7.1
149.09601	23.6
149.13173	3.2
151.03757	6.7
151.07404	6.7
152.04523	2.3
153.01770	4.4
156.05630	12.4
157.06360	6.6
159.04285	2.8
159.08069	11.1
161.05838	8.5
161.09567	2.8
161.13155	4.6
163.03737	2.7
163.07422	6.4
163.11159	66.3
165.05437	2.4
165.06888	3.2
165.08968	2.5
167.07011	35.2
167.10658	33.3
169.08644	12.6
173.09447	7.2
173.13087	7.4
174.06635	6.3
175.07431	6.4
177.05336	7.8
178.07587	3.2
179.06943	3.8
179.08453	2.9
181.04820	5.9
181.12184	19.4
185.11609	3.5
187.06332	2.5
187.07387	18.6
189.06953	2.8
189.08913	8.7
190.07646	4.4
191.06879	5.3
191.08923	3.5
191.10631	51.5
191.14282	20.8
193.06554	2.5
193.08444	5.7
194.07140	2.3
201.08994	3.6
202.06009	2.9
203.08449	3.7
205.06335	2.4
205.08307	2.5
206.07133	6.2
207.07837	6.7
209.09940	2.2
209.11728	26.1
209.15337	29.9
211.07463	3.2
215.06665	3.2
215.08481	4.0
217.06725	2.9
217.08539	39.0
218.07083	7.0
218.08987	2.4
219.07838	8.2
219.10022	5.3
220.08678	3.1
221.09491	6.0
222.06543	3.0
223.07446	3.0
224.08200	2.8
227.12698	21.5
231.07948	5.2
233.05937	2.3
233.09355	9.2
234.06499	5.3
235.07451	11.5
236.08101	4.5
237.05331	3.4
239.06798	4.6
241.08316	4.9
243.07710	3.0
246.06505	2.7
247.07251	9.0
247.09506	11.4
248.08002	5.4
249.05257	2.9
249.09030	21.0
250.06003	4.2
250.09605	6.5
251.06937	5.0
252.07834	10.2
260.08044	3.2
261.09030	14.9
262.06033	2.6
263.06741	8.4
263.10648	2.1
264.07480	5.6
265.04767	2.2
265.08347	13.3
266.09219	10.0
267.09988	3.4
275.10522	2.5
276.07333	2.3
277.06155	2.1
277.08499	21.1
278.08994	8.4
279.06339	4.3
279.09903	4.2
280.07193	10.6
281.07907	5.6
281.11459	4.8
283.09497	3.2
285.07355	8.5
289.08270	5.2
290.09067	2.9
291.06442	2.7
291.09979	3.7
293.07748	6.8
293.11407	13.5
294.08606	2.8
295.09338	6.3
296.10229	9.9
300.09625	6.8
301.10434	2.8
303.09836	2.3
306.08597	3.9
307.09396	4.9
309.11163	23.1
309.16687	4.2
311.09134	2.5
311.12421	7.9
312.09534	2.4
313.10352	2.9
313.93347	2.6
317.20676	2.5
321.11212	23.0
322.11478	4.7
323.08881	6.2
324.09335	2.9
325.10330	5.7
326.11560	11.5
327.11816	9.1
328.12964	2.9
335.14764	3.7
338.11389	3.6
339.12213	72.2
340.12399	6.3
341.13770	14.8
353.13016	26.5
354.14172	2.7
371.14572	87.5
372.14972	8.2
392.21078	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1484
Annotation	Dextrobursehernin
Peak:m/z	Relative Intensity
50.09151	1.4
52.42361	1.4
53.03943	3.7
55.01861	3.2
55.05477	3.9
55.43789	1.4
57.03421	1.4
61.02915	2.4
67.05487	5.3
69.03421	10.5
69.07062	7.5
70.16299	1.4
70.51131	2.3
70.51514	2.5
71.04976	2.9
73.02938	1.9
77.03890	1.6
79.05469	10.9
81.03412	10.6
81.07047	11.0
83.04962	6.0
83.08624	1.6
85.02892	14.6
85.06551	3.4
85.53028	1.4
91.05450	19.4
93.07040	12.8
95.04958	9.1
95.08620	8.9
97.02877	5.7
97.06525	4.8
99.04475	1.9
99.08081	3.0
100.38307	1.5
103.05459	7.9
105.07024	14.2
107.04955	7.1
107.08579	27.2
109.02853	7.7
109.06497	9.9
109.10135	7.7
111.01449	1.4
111.04417	2.3
111.08060	3.2
115.05450	5.3
117.07025	7.9
119.04932	13.4
119.08586	7.0
121.06495	8.8
121.10127	23.9
122.03611	6.1
123.04468	2.1
123.08053	3.5
123.11703	1.5
124.05202	4.4
125.05982	2.9
125.09605	5.9
127.03880	6.4
128.06218	5.3
129.06972	9.9
130.04155	3.0
131.04912	21.0
131.08527	7.7
133.02841	9.0
133.06496	9.1
133.10106	35.5
135.04420	4.2
135.08025	13.3
135.11676	6.9
137.05957	100.0
137.09593	20.4
138.06270	2.7
139.11124	3.0
141.06924	1.8
143.08549	5.9
144.05618	1.7
145.06471	7.9
145.10097	8.4
146.03571	2.1
147.04398	22.6
147.08017	7.5
147.11673	12.5
149.05916	12.0
149.09604	11.5
149.13245	13.4
150.06735	7.5
151.03893	3.1
151.07506	19.6
151.11154	29.4
153.08981	2.6
156.05740	2.0
157.06448	5.4
159.04378	1.9
159.08008	4.0
160.05144	1.9
161.05952	20.3
161.09608	1.8
162.06732	20.9
163.03931	1.6
163.07481	13.6
163.11162	6.0
163.14758	8.8
165.05482	4.2
165.12697	12.6
167.07022	15.5
167.10670	3.6
171.04393	24.8
171.07997	12.6
173.05980	6.4
173.13237	11.0
174.06647	2.0
175.07504	13.1
177.05420	6.3
179.06990	6.7
180.07706	2.1
181.04951	5.3
181.06448	2.4
181.08527	1.8
181.12231	3.2
184.05180	2.5
185.05971	4.2
187.07515	8.6
189.09085	6.2
191.07019	8.4
191.10651	5.5
191.14282	62.5
192.14587	2.4
193.08562	3.5
199.07489	25.9
201.05435	3.3
201.09047	2.9
203.06950	3.7
205.06863	2.0
205.08583	9.8
205.10280	2.2
207.07996	2.7
209.15327	86.3
210.15805	2.2
217.06528	2.8
217.08582	41.3
218.07222	1.9
219.08081	2.9
219.10022	3.0
227.12741	2.5
229.08537	4.3
231.07967	2.0
233.09555	3.5
234.06746	2.9
235.07451	4.0
236.08112	1.8
237.09106	4.1
247.07465	2.8
247.09755	4.4
249.09096	3.7
261.09055	3.5
263.06998	3.4
263.10654	2.8
264.07712	2.4
265.08585	3.6
274.09674	1.6
275.07059	3.6
275.10452	2.1
277.08575	6.9
278.09274	2.4
283.09479	4.3
285.07614	1.9
291.10080	3.6
293.11688	5.0
294.08875	3.1
295.09650	6.5
297.11194	20.3
300.09808	2.7
301.10583	2.2
303.10254	2.5
305.11627	2.7
307.09555	4.5
307.12808	1.9
309.11142	6.2
311.09100	1.8
311.12656	3.3
313.14240	2.6
317.11603	2.0
321.11304	7.7
323.12634	8.9
325.10773	2.5
325.14383	5.1
327.12244	7.6
335.12750	7.6
339.12204	4.7
341.13751	9.0
353.13705	14.8
371.14853	35.1
372.15219	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1485
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
50.26847	0.6
53.03902	0.7
55.01846	1.2
55.05476	2.2
56.06767	0.8
56.17044	0.6
57.03415	1.2
57.07034	1.2
65.03898	1.4
67.05459	2.9
69.03419	5.9
69.07074	3.4
69.07343	0.7
71.04945	2.4
78.04674	0.7
79.05485	4.1
81.03404	6.5
81.07040	9.8
83.04916	1.7
83.08572	1.2
85.02888	4.9
85.06505	2.6
91.05442	4.1
93.06557	0.7
93.07030	8.8
95.04964	3.4
95.08593	6.4
97.02858	1.9
97.06506	1.7
99.04416	2.8
99.08046	2.7
101.05974	0.9
103.05424	1.8
105.07009	6.6
107.04941	8.4
107.08575	8.6
109.02860	5.1
109.06469	2.5
109.10137	3.6
111.04419	1.1
111.08031	1.8
115.05421	1.1
117.06966	1.3
119.04868	1.1
119.08516	2.9
121.06490	5.4
121.10123	6.3
122.03567	0.9
123.04413	1.5
123.08002	2.1
123.11659	2.3
124.11639	0.7
125.02354	0.7
125.09622	0.7
126.49468	0.7
127.03886	5.4
128.06194	1.4
129.06938	3.0
131.04897	3.3
131.08559	3.4
133.02818	0.7
133.06416	1.7
133.10057	3.3
135.04381	1.0
135.08025	3.5
135.11646	3.6
137.05952	19.6
137.09502	1.4
139.07466	0.9
141.06935	1.3
143.03342	1.6
144.05652	1.8
145.06400	2.9
145.10069	3.1
146.07188	1.1
147.04373	1.0
147.08041	1.2
147.11668	5.4
149.05957	1.3
149.09554	3.2
149.13188	2.3
151.03824	2.2
151.07458	2.1
151.11104	1.2
153.01801	18.7
153.05307	1.1
153.12704	0.8
156.05641	3.9
157.06448	1.6
158.07230	0.8
159.08037	4.7
161.05930	2.8
161.09564	1.4
161.13295	1.0
163.03879	2.4
163.07469	1.8
163.11177	8.1
163.14775	1.0
165.05472	0.7
165.06918	1.9
167.05623	0.9
167.07024	15.7
167.10666	3.0
169.08630	0.9
172.05125	0.9
173.05943	1.3
173.09599	0.8
173.13203	2.7
174.06697	1.3
175.07512	3.9
177.05412	1.9
177.06912	0.8
178.07698	1.9
179.07005	1.0
179.08493	1.8
181.04898	1.1
181.06445	1.9
181.08510	1.1
181.12160	2.7
185.11673	1.2
186.06682	0.9
187.07478	5.8
189.06975	1.5
189.09038	3.1
190.07645	2.1
191.06999	2.1
191.08760	0.7
191.10652	6.0
191.14281	14.6
193.08498	2.2
193.12219	0.9
194.07196	2.5
195.07957	2.8
196.08762	0.9
201.09058	2.3
202.06229	1.7
202.07878	0.9
203.06812	1.1
203.08543	1.8
203.17926	0.8
205.06404	2.4
205.08369	1.3
206.07230	2.5
207.08078	3.9
207.13771	0.8
209.06006	1.8
209.09648	1.6
209.11461	1.4
209.15370	8.6
210.06471	0.9
211.07428	1.6
215.06755	1.3
215.08586	1.7
217.06528	1.3
217.08568	12.9
218.07191	2.8
219.07944	3.9
219.09964	1.3
221.05843	2.3
221.09540	2.9
222.06668	4.8
223.07497	4.1
224.08195	3.6
225.08788	1.0
227.12750	3.0
229.58951	1.0
231.07982	2.5
232.08713	1.9
233.09697	4.2
234.06752	4.8
234.10423	1.4
235.07474	8.2
236.08246	4.9
237.05405	2.3
237.09007	2.9
238.09821	1.2
239.06958	4.8
240.07735	1.6
241.08459	2.4
246.06824	1.0
247.07422	2.6
247.09618	5.1
248.08308	2.8
249.05324	1.1
249.06174	0.8
249.09068	16.8
250.06316	4.6
250.09782	4.0
251.06908	4.5
251.10632	1.0
252.07799	11.6
253.08469	1.7
257.08231	0.8
260.08243	2.1
261.09109	6.1
262.06216	1.3
262.09711	1.8
263.06918	5.2
263.10513	1.0
264.07715	6.3
265.05103	2.5
265.08533	18.3
266.06161	1.0
266.09283	9.7
267.09915	2.6
268.07248	1.0
269.07956	2.1
271.06091	1.3
275.10587	2.0
277.08566	9.8
278.05753	0.8
278.09265	5.7
279.06567	2.8
279.10025	2.5
280.07251	12.0
280.10330	0.9
281.07968	7.8
281.11560	2.2
282.08466	1.2
283.09445	1.0
285.07501	11.1
286.08389	0.9
288.07877	0.9
289.08514	1.8
291.06619	0.8
291.10037	1.3
292.07379	0.9
292.10883	1.5
293.08032	4.8
293.11646	15.9
294.08621	2.2
294.11710	1.4
295.09531	6.4
296.10388	8.6
297.11063	1.8
300.09869	11.8
301.10519	4.1
306.08771	2.4
307.09616	3.7
308.06708	1.2
309.11160	7.8
310.11877	1.8
311.12619	9.3
312.09683	2.0
312.13095	1.2
313.10730	2.3
317.24530	1.6
321.11105	13.6
323.09018	2.2
324.09937	1.6
325.10623	1.9
326.11450	3.6
327.12253	2.6
335.25586	1.7
338.11383	1.5
339.12207	100.0
340.12726	8.2
341.13953	4.3
343.11594	1.1
353.13690	14.7
356.12201	1.6
371.14832	68.7
372.15335	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	371.1118
Annotation	Propacin
Peak:m/z	Relative Intensity
52.40450	0.7
53.03931	1.0
53.43026	0.7
55.01856	2.7
55.05512	6.6
57.03434	1.0
57.07058	2.5
60.44476	0.8
60.67030	0.7
61.78923	0.7
65.03930	1.8
67.05496	11.4
67.68749	0.8
69.03406	2.4
69.07078	4.0
69.07361	0.7
69.65108	2.0
69.65518	4.3
70.06185	0.7
71.04981	1.4
77.03902	1.3
79.05475	8.1
80.73630	0.8
81.03389	3.3
81.07039	8.3
83.04960	2.8
83.08606	3.4
85.02881	1.2
85.06518	1.6
91.05441	6.1
93.07028	6.4
95.04961	9.8
95.08571	5.8
97.02853	1.0
97.06494	1.2
97.10157	2.5
98.21468	1.7
99.04447	1.0
99.08098	1.0
101.05988	1.4
103.05453	52.6
104.06255	5.8
105.03358	1.1
105.07013	11.9
107.04283	1.2
107.04950	18.6
107.08585	5.8
109.02896	1.6
109.06495	2.7
109.10120	7.5
111.04383	1.2
111.08059	1.1
115.05438	2.6
117.03320	0.8
117.06979	2.4
119.04948	1.6
119.08556	4.6
121.02865	1.3
121.06484	7.1
121.10137	4.1
122.03651	1.0
122.84408	0.9
123.04411	9.2
123.08052	1.2
123.11668	1.6
124.05151	1.2
125.09602	2.9
127.03873	1.1
129.05440	0.9
129.06995	1.2
131.04912	27.1
131.08505	2.5
132.05713	5.5
133.02791	1.2
133.06474	8.8
133.10091	3.1
135.04385	3.7
135.08034	12.2
135.11665	1.9
136.94183	0.8
137.05971	9.3
137.09563	2.2
145.06433	1.8
145.10136	2.4
147.04384	2.7
147.06450	1.5
147.08022	1.3
147.11670	1.7
148.01535	2.1
148.05176	6.3
149.02339	11.3
149.05963	32.6
149.09601	1.8
151.03888	2.7
151.07529	1.5
151.11160	1.0
153.05470	3.3
156.05792	1.0
159.11642	1.9
161.02351	3.3
161.09631	0.9
161.13219	1.2
163.03882	8.3
163.07520	40.7
163.11154	2.0
163.14742	1.6
164.08311	100.0
165.01816	3.1
165.09097	8.7
166.02605	1.1
167.07037	4.4
167.10620	1.1
173.09608	0.9
173.11690	3.1
173.13235	2.1
177.05432	1.7
178.07750	1.0
179.03377	15.3
181.04959	3.9
187.07513	2.2
189.09058	1.1
191.03336	1.7
191.07013	1.3
191.14255	1.9
193.04820	1.2
194.02058	6.6
199.13196	1.2
205.04839	1.8
207.02869	27.2
208.03477	2.3
209.04428	64.1
209.15317	1.2
209.18971	1.5
210.04829	1.4
217.08527	4.1
218.07245	1.0
223.05974	2.9
229.06024	1.3
230.06384	1.4
233.04413	3.4
241.08372	0.9
247.05830	4.5
247.09619	1.0
249.09056	1.5
252.07712	0.9
261.09125	1.5
264.07751	1.2
265.08423	1.5
278.09445	1.1
285.07651	1.1
293.11725	1.4
295.09460	1.2
300.09766	1.4
308.93106	0.8
321.11179	2.6
326.11493	1.0
327.11966	1.1
339.08951	0.8
339.12338	6.3
341.13696	1.8
353.13602	2.4
353.24603	2.1
371.11139	90.8
371.14835	6.1
371.24658	6.6
371.29428	1.9
372.11786	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	371.0967
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
51.69522	0.2
55.05494	0.4
56.05020	1.2
56.59168	0.2
57.03428	0.3
57.07058	0.3
65.03925	0.4
69.03408	1.3
69.07059	0.5
70.06578	0.3
71.04965	0.7
71.61678	0.5
79.05476	1.3
81.03395	0.7
81.07029	0.5
83.04949	0.7
83.08603	0.3
85.02891	1.7
85.06514	0.5
86.40035	0.2
87.04472	0.3
89.06005	0.5
91.05385	2.2
93.07022	1.0
95.04931	0.7
95.08602	0.4
97.02853	0.9
98.97571	0.4
99.04443	0.3
101.05962	0.4
101.79256	0.2
103.05431	0.3
105.03324	0.3
105.07021	1.5
107.04937	4.5
107.08569	1.0
109.02856	0.5
109.06498	0.5
110.03616	0.5
111.04404	0.6
121.02863	1.7
121.06524	0.4
121.10118	1.9
123.04414	0.9
123.08017	0.3
123.11656	0.3
127.03934	0.3
129.05444	0.8
131.08502	0.5
133.10095	0.5
135.04395	3.1
137.05948	1.9
138.03096	0.8
145.04976	0.3
145.08557	0.6
146.08902	0.5
147.04417	0.5
147.06514	0.8
147.07877	0.2
149.01128	0.6
149.02322	10.9
149.05936	0.4
149.09590	8.7
150.03116	0.4
151.03857	0.4
151.11183	0.3
153.05437	3.7
156.05653	0.3
157.06438	0.3
159.08012	0.5
161.05971	0.6
163.03889	5.9
163.07491	0.3
165.05452	1.4
166.02608	2.2
167.07076	1.7
173.05960	0.2
173.13231	0.2
177.01785	0.8
177.05443	2.6
177.59979	0.2
179.25787	0.3
181.04935	2.7
187.07538	0.5
191.07013	0.4
191.09065	0.3
191.10675	0.4
191.14287	4.6
193.08583	0.5
194.00284	0.3
194.02078	9.8
209.04417	100.0
209.15353	0.9
210.04765	2.7
217.08560	1.4
218.07217	0.3
219.08109	0.3
220.09644	1.5
233.09673	0.3
234.06728	0.3
235.07442	0.3
241.08476	0.3
247.07411	0.3
247.09647	0.3
251.10710	0.3
259.20734	0.2
259.23358	0.2
261.09061	0.4
264.07620	0.3
277.08505	0.3
285.00885	0.5
285.07504	0.6
300.09750	0.4
302.41000	0.2
307.09567	0.4
309.11093	0.6
321.11069	0.4
323.09106	0.3
326.11285	0.6
329.10092	0.5
339.12204	0.4
353.13739	1.4
355.06955	0.3
358.07700	0.3
371.16983	1.4
372.14230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
55.01873	0.2
55.05497	0.7
57.03427	0.2
57.07069	0.2
59.05010	0.2
65.39712	0.2
67.05501	0.2
68.00802	0.1
69.03416	0.9
69.07062	0.2
69.69061	0.2
69.69458	1.0
70.06577	0.3
71.04990	0.5
73.04747	0.3
79.05499	0.4
81.03420	0.6
81.07031	0.8
82.04192	0.2
83.04956	0.4
83.08620	0.4
85.02887	1.3
89.06033	0.3
91.05820	0.8
93.07030	0.4
93.86287	0.2
95.04955	2.0
95.08591	0.4
97.02859	0.4
97.06507	0.2
99.04436	0.6
101.06001	0.5
105.07021	0.4
107.04961	0.5
107.08585	0.6
109.02832	0.7
109.06522	0.4
109.10136	0.6
110.03633	0.8
111.04428	0.4
111.08077	0.3
113.05994	0.2
116.07065	0.3
117.06995	0.2
119.08577	0.2
120.02119	0.3
121.02837	0.6
121.06509	0.2
121.10136	0.5
123.11700	0.3
125.06019	0.2
125.09602	0.2
127.03902	0.8
129.05458	0.4
131.06999	0.3
131.08583	0.3
133.10083	0.4
135.04344	0.3
135.08040	0.2
135.11638	0.2
137.05959	0.8
138.03082	1.3
139.03870	0.2
145.08609	0.7
146.08900	0.6
147.04398	0.2
147.06522	0.4
149.02312	1.4
149.09602	0.2
149.13228	0.4
150.03053	0.3
151.11200	0.3
152.57500	0.1
153.05466	1.0
153.09074	0.6
159.08138	0.2
163.03893	1.2
163.07451	0.2
165.05458	0.7
166.02608	1.4
167.07047	0.8
167.14302	0.4
173.13216	0.2
181.04977	0.2
187.07539	0.2
191.07008	0.2
191.14305	0.7
192.09436	0.2
194.02080	47.8
195.02467	0.9
195.06561	0.3
203.03319	0.2
209.04416	100.0
209.15340	1.5
210.04771	2.4
217.08530	0.4
218.07162	0.1
268.97806	0.3
285.00980	0.4
285.07382	0.2
321.11105	0.2
326.11429	0.1
353.13760	0.4
353.19830	0.2
355.07092	0.3
371.11029	0.3
371.16632	0.7
383.77686	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55322	2.5
53.03933	3.6
55.01847	11.5
56.96535	2.8
57.03417	12.6
61.02908	11.9
67.54424	3.0
68.66866	2.5
69.03424	42.9
69.48362	24.4
71.04992	2.9
73.02908	17.0
73.63874	2.5
81.03401	16.1
81.23324	2.5
85.02892	87.2
87.04421	6.0
91.03934	5.7
91.05421	2.9
97.02868	29.8
98.20899	8.6
98.97581	9.8
99.04446	10.2
101.00865	4.8
105.07001	3.3
107.04929	4.2
109.02857	10.4
119.01900	20.7
119.04953	6.1
121.01652	5.5
121.10202	3.7
127.03917	45.1
128.04192	4.5
128.98621	3.0
131.01842	12.6
133.01617	3.2
135.04405	4.9
136.06157	2.9
137.02948	3.7
137.05945	18.8
143.01904	12.7
143.03326	4.9
145.03441	12.8
145.04897	23.6
147.01314	2.7
147.03328	3.3
147.04324	14.4
149.05908	3.8
150.05466	8.6
153.01831	26.3
155.01894	7.6
157.03427	5.7
161.02960	20.4
163.02634	3.8
163.04083	3.0
164.10692	8.5
167.05740	2.9
167.06972	15.6
173.01556	3.0
173.02908	16.3
175.02797	5.8
175.04509	5.5
177.00795	4.8
179.07024	7.4
183.05019	7.6
185.02905	16.1
191.02309	5.9
191.03893	7.4
197.02925	6.6
200.04437	10.3
200.06146	3.0
203.02330	4.2
203.04036	10.5
205.03737	3.1
209.04897	3.5
209.09262	3.7
210.11194	8.3
219.01871	9.8
219.05118	4.6
221.04994	5.7
221.06831	4.2
223.04523	3.6
223.06589	6.8
227.04181	4.2
229.00346	5.1
233.03397	4.0
237.02853	3.1
237.06096	5.4
243.01740	3.4
243.05441	2.9
244.04260	7.5
245.05025	21.6
247.01317	3.7
247.04765	3.7
251.04362	6.3
251.07758	3.7
257.07541	14.5
262.05115	3.1
263.04044	3.5
266.08148	18.8
266.58154	4.1
267.06982	3.6
272.08099	8.1
275.06143	6.7
279.07123	3.8
281.07108	9.1
290.09012	3.8
307.06537	3.7
309.08112	6.9
311.05951	3.2
336.07111	5.2
347.02954	6.6
348.06747	9.2
353.08926	4.3
363.34387	3.1
365.08884	3.0
371.07346	100.0
381.10281	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	370.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
55.05525	0.4
57.03428	24.5
61.02908	1.4
67.05486	0.8
69.03413	2.4
69.07043	0.6
69.49545	3.7
71.01348	1.2
71.04593	0.5
71.04983	10.2
72.05282	0.5
81.03409	1.1
83.04969	0.8
85.02892	5.4
87.04424	0.6
89.06014	1.7
89.12320	0.4
93.07046	0.6
95.04946	4.5
97.02875	2.7
99.04424	1.7
106.02900	0.4
109.02880	1.0
109.06523	0.5
109.10149	0.9
113.05991	14.2
121.02832	1.0
121.10047	0.4
127.03879	1.6
127.07571	1.2
127.11147	0.8
131.07027	36.2
132.07397	0.6
133.10057	0.5
137.05916	1.1
143.27301	0.5
143.84976	0.4
145.04892	1.3
145.08580	100.0
146.08917	1.9
153.09091	1.1
164.06966	0.4
167.06961	0.6
173.08080	10.4
173.09494	0.9
177.07602	0.8
177.65584	0.4
180.08676	1.7
191.09119	23.9
194.02071	1.0
207.06445	0.5
208.09653	1.6
208.11687	0.9
209.04419	3.6
209.15440	2.1
212.08255	0.5
212.42763	0.4
217.08440	0.8
242.58870	0.5
370.10214	0.5
370.14917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.7
61.02914	0.5
69.03417	1.2
69.68149	1.8
69.68578	1.8
71.04980	40.3
80.79556	0.4
81.03373	0.8
85.02887	5.9
85.06538	2.8
91.03934	0.5
95.04939	1.5
97.02866	2.2
109.02823	0.6
113.05976	4.9
123.11710	0.5
124.12016	0.5
127.03912	0.7
127.07529	15.4
128.07832	0.7
131.07014	19.1
137.05957	0.7
145.04912	1.3
145.08572	100.0
146.08940	1.5
167.06966	0.6
173.08070	4.0
180.08624	2.2
187.04272	0.5
191.09111	23.5
192.09460	1.2
208.11725	2.4
209.04338	0.6
210.86060	0.5
217.08522	0.7
240.75296	0.4
326.11862	0.4
335.80286	0.5
353.14127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93610	1.5
52.91702	1.4
54.90825	1.5
55.05498	7.2
57.03455	2.2
57.07063	4.1
62.01323	1.6
65.03926	2.1
67.05497	14.4
69.03417	3.4
69.07061	12.1
71.04979	6.7
71.62593	2.2
79.05480	12.1
81.07047	39.2
83.04970	1.9
83.08610	6.0
85.02904	3.1
85.06504	2.0
91.05470	24.0
93.07031	28.8
95.05008	1.8
95.08598	31.9
97.06543	2.1
97.10155	4.0
105.07021	32.8
107.08582	36.0
109.06516	4.7
109.10136	23.4
111.08083	2.5
117.07010	5.8
119.08568	31.7
121.10133	29.7
123.08108	2.1
123.11682	9.8
127.11175	6.8
131.08583	9.6
133.10124	50.9
134.10443	2.1
135.11670	25.9
137.05937	4.7
137.09621	7.9
137.13254	2.7
143.08498	2.7
145.10124	17.6
147.08014	2.1
147.10495	2.2
147.11665	43.4
147.12787	3.2
149.09546	2.2
149.13254	12.0
151.11180	1.8
153.12761	2.7
157.10149	5.8
159.11639	13.7
161.09628	2.3
161.13254	23.6
163.11145	2.2
163.14821	17.2
165.12717	2.5
169.10146	5.1
171.11682	7.3
173.13237	13.7
175.14798	9.8
177.16446	3.7
177.33855	1.8
183.11665	6.1
185.13280	5.8
187.14796	10.5
189.12791	2.2
189.16386	11.8
191.14377	1.6
191.17935	7.6
197.13219	5.7
199.14771	4.3
201.16351	8.1
203.17920	5.8
205.15901	2.9
207.13675	1.9
207.17429	5.5
211.14809	4.1
213.12721	3.9
213.16306	2.6
215.17947	9.5
217.15872	2.1
217.19482	2.1
227.18005	4.1
229.19548	9.5
233.19151	1.9
241.19585	2.5
255.21008	4.6
265.19467	4.0
269.22589	2.2
273.22043	4.1
281.22525	1.7
306.84125	1.8
327.23111	2.2
351.26688	9.5
351.30508	14.1
361.94073	1.8
369.27695	27.1
369.31506	100.0
370.27841	3.0
370.31964	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	369.3146
Annotation	CHEBI:68397
Peak:m/z	Relative Intensity
53.03931	1.3
55.05499	6.3
57.03417	1.6
57.07056	1.9
67.05499	10.6
69.07060	8.8
69.51211	10.0
71.04977	2.0
79.05478	10.6
81.07043	29.1
83.04945	1.2
83.08602	4.5
85.02895	2.1
90.94434	1.1
91.05460	20.1
93.07027	26.6
95.04967	2.4
95.08591	30.2
97.06487	1.5
97.10149	1.5
105.07011	27.5
107.08577	31.4
109.06511	2.3
109.10137	16.3
117.06982	3.6
119.08560	27.9
121.10127	23.6
123.11679	12.0
127.03967	1.2
128.65486	0.9
131.08565	7.3
133.10121	18.8
135.11674	23.0
137.05940	2.7
137.09575	1.2
137.13251	3.5
143.08557	2.3
145.08946	1.4
145.10081	11.0
147.10483	2.5
147.11667	46.3
149.09581	1.8
149.13235	15.2
151.11157	1.3
157.10066	3.7
159.11642	10.4
161.09610	1.4
161.13237	21.9
163.11194	1.6
163.14795	11.2
165.12837	1.6
171.11661	3.2
173.13214	8.3
175.14799	8.2
177.16371	3.6
179.14203	2.9
181.25029	1.1
185.13200	2.5
186.13979	1.4
187.14722	6.6
189.16351	11.4
191.14258	1.3
191.17905	5.5
199.14825	4.2
200.15097	1.2
201.16365	5.1
203.17902	5.8
207.13840	2.2
207.17444	3.3
211.14851	1.6
213.16386	4.4
215.17946	8.8
217.19559	2.1
227.18040	2.5
229.19475	10.5
230.13857	1.1
241.19455	1.9
243.21030	2.1
247.20711	2.4
255.21111	4.6
259.20648	1.1
273.22131	2.9
281.22433	1.8
308.48828	1.1
351.26599	1.8
351.30365	12.6
369.27954	6.2
369.31516	100.0
370.31854	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	369.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
55.01851	4.0
55.05499	4.8
57.03424	5.5
61.02909	4.2
67.05486	8.7
67.39806	1.7
69.03422	20.9
69.07049	5.5
70.07145	11.3
71.04967	3.6
72.02433	1.9
73.02898	2.6
79.05477	8.5
79.51374	1.8
79.63464	2.2
81.03423	11.2
81.07052	12.9
83.04975	11.2
85.02895	40.7
91.03955	2.2
91.05459	13.0
93.07021	10.5
93.07542	1.9
95.04953	6.9
95.08608	11.3
97.02885	12.8
97.06505	4.0
99.04427	5.4
105.07012	26.1
107.04869	2.1
107.08576	22.5
109.02865	14.5
109.06504	11.3
109.10133	9.2
112.13734	2.0
115.03866	2.4
117.06983	3.0
119.04922	9.1
119.08562	23.7
121.06479	7.6
121.10098	12.1
123.08037	12.6
123.11694	5.6
125.09570	2.8
127.03918	12.1
129.05556	2.0
129.06989	3.7
130.07814	2.0
131.08536	11.6
133.06453	8.4
133.10100	25.2
135.08005	7.0
135.11653	2.6
137.05989	3.6
137.09596	24.2
140.88704	2.2
143.08536	3.9
145.04932	6.1
145.06445	3.0
145.10107	9.9
147.04387	6.7
147.08018	9.1
147.11662	17.1
148.40379	2.0
149.05959	2.0
149.09608	39.0
149.13277	4.2
151.07477	5.8
151.11159	84.1
152.11620	2.7
156.09308	7.9
159.08015	8.9
159.11646	3.9
160.08841	2.3
161.09608	7.6
161.13252	16.4
163.11139	23.2
167.03409	11.5
171.11678	7.8
174.10376	25.3
175.03917	8.4
179.10635	3.8
179.14288	5.3
187.11191	2.6
189.12717	100.0
190.12961	2.6
191.14279	36.6
207.06456	19.7
207.13771	80.9
208.05994	2.1
208.14139	2.7
254.89719	1.9
302.07437	2.1
328.13446	2.0
351.10565	2.7
351.17831	2.5
369.19135	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	369.3145
Annotation	CHEBI:68397
Peak:m/z	Relative Intensity
50.26308	0.6
53.03927	1.1
55.01859	0.9
55.05502	6.1
57.07058	1.4
65.03925	0.7
67.05497	10.4
69.07049	8.2
69.93349	0.7
70.68189	1.4
70.68562	1.2
71.05000	1.4
71.08619	2.2
77.03930	0.7
79.05491	9.5
81.03393	0.7
81.07043	26.9
83.04973	1.2
83.08618	4.6
85.06530	1.3
89.20821	0.7
91.05461	18.2
92.91139	0.6
93.07029	22.6
95.04960	1.7
95.08589	24.0
96.08904	1.1
97.06509	1.6
97.10153	2.0
99.08070	1.7
105.07014	23.8
105.56077	0.7
106.07336	0.8
107.08573	29.1
109.06507	2.5
109.10131	14.1
111.08055	1.4
117.07018	2.6
119.08558	23.7
121.06492	1.5
121.10123	19.8
123.08048	1.1
123.11706	7.7
125.09639	0.8
129.06998	1.2
131.08539	6.0
133.10104	16.2
135.11668	23.9
137.05943	0.9
137.09601	0.9
137.13216	2.7
139.11183	1.3
143.08531	2.0
145.10091	10.5
147.11665	36.3
149.02255	0.7
149.13246	9.9
151.11185	0.9
157.10132	2.0
159.11636	9.0
161.13228	22.1
163.11148	0.8
163.14796	11.1
165.12724	4.3
168.09464	0.6
169.10156	0.6
171.11664	3.5
173.13257	6.8
175.14809	8.2
177.12726	0.9
177.16367	3.0
179.14276	2.0
185.13231	2.2
186.14032	0.9
187.14806	5.5
189.12695	1.0
189.16367	9.5
191.14323	1.4
191.17909	7.3
197.13367	0.8
199.14825	3.8
201.16345	5.9
203.17888	6.0
205.15889	0.8
207.17453	4.3
211.11021	0.8
213.16370	2.1
215.17883	11.1
217.19479	2.4
227.17908	2.8
229.19467	10.4
233.19073	1.0
241.19518	2.4
243.21133	2.6
247.20573	1.6
255.21034	5.3
257.22754	1.5
261.22061	3.5
267.21027	0.9
269.22552	1.1
273.22037	3.6
281.22644	1.0
289.21512	4.8
290.22211	0.8
295.24155	0.9
299.21146	2.2
307.22684	2.0
333.24213	3.3
351.25360	7.1
351.30423	11.7
369.31503	100.0
370.31909	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	369.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01851	1.9
55.05495	1.5
57.03424	1.5
59.04989	1.6
59.72116	0.6
61.02916	1.1
67.05479	2.3
69.03422	8.5
69.07050	2.7
70.72462	1.7
71.04974	1.4
73.02844	0.7
74.57772	0.5
79.05473	2.5
81.03407	4.1
81.07047	5.4
83.04964	5.3
83.08596	0.9
85.02424	1.0
85.02896	14.5
85.06513	1.5
87.04455	0.8
91.05461	5.0
93.07037	7.6
95.04944	2.2
95.08588	4.2
97.02874	4.1
97.06499	2.3
99.04432	2.2
99.08090	1.1
103.05434	1.1
105.07014	21.1
107.04939	1.9
107.08575	6.2
109.02861	2.3
109.06481	3.2
109.10144	3.1
111.08041	1.3
115.05441	0.8
117.06965	2.0
119.04881	2.6
119.07784	0.9
119.08572	13.5
121.06521	3.0
121.10136	4.5
122.03613	1.5
122.96279	0.6
123.08070	3.0
123.11675	1.7
125.05950	0.6
125.09606	0.9
127.03861	3.0
128.06137	0.8
129.07004	1.2
130.07794	0.8
131.04909	1.1
131.08549	2.9
133.06470	5.7
133.10117	4.9
135.08069	3.1
135.11656	2.6
137.05959	20.1
137.09576	1.5
137.13272	0.7
139.11154	0.7
143.08525	2.8
144.05696	0.6
144.09270	0.8
145.04887	1.3
145.06439	0.9
145.10086	5.8
147.04340	1.3
147.08035	4.2
147.11670	9.8
149.09552	1.4
149.13225	0.9
151.03882	0.6
151.07472	3.6
151.11198	0.7
156.09283	2.7
157.06500	0.6
159.08055	1.1
159.11653	6.2
160.08809	1.9
161.05940	7.3
161.09612	6.6
161.13242	5.6
162.06770	0.7
162.10342	0.7
163.11154	20.3
165.09128	0.9
165.12708	0.9
167.07040	0.9
167.10732	0.6
167.26250	0.7
171.11658	4.6
173.13286	0.9
174.10370	0.7
175.03896	1.1
175.07487	1.5
176.11902	0.9
177.05460	0.9
177.12721	20.9
179.10625	0.6
179.14256	0.6
183.13803	1.5
187.07556	2.6
189.09058	1.0
189.12697	7.6
189.16397	0.7
191.14288	2.1
205.06514	0.8
206.07422	0.9
207.06430	2.6
207.13774	100.0
208.14102	3.3
225.14758	0.7
227.10728	0.7
231.07983	0.9
233.05850	0.9
234.06718	1.8
235.07303	0.7
247.07474	1.3
248.08382	1.0
249.09134	1.7
251.07001	0.8
262.06131	1.1
263.06970	0.9
266.09167	0.6
270.08310	0.7
277.08603	3.3
279.06467	1.0
285.30630	0.6
291.10135	1.2
293.08020	1.5
294.08746	1.2
305.07947	0.8
307.09702	1.2
309.11050	2.6
309.64719	0.6
315.23001	1.1
327.12329	1.3
333.23914	0.7
336.10080	0.7
337.10504	5.9
338.11264	0.7
339.12207	0.7
341.13623	1.2
351.11981	0.8
351.15738	2.8
351.25476	0.7
369.09244	0.9
369.13290	12.8
369.18219	0.8
370.13910	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01874	1.0
55.05492	2.1
57.03432	2.3
59.04982	0.8
61.02922	3.1
67.05482	1.4
69.03075	0.9
69.03423	12.5
69.07061	2.3
69.38593	4.0
71.04976	1.7
73.02889	1.4
79.05495	3.2
81.03416	4.2
81.07059	2.9
83.01363	0.5
83.04977	3.9
85.02898	25.1
85.06521	1.0
87.04449	1.1
91.03922	1.5
91.05454	3.9
92.75968	0.4
93.07021	3.8
95.04933	1.6
95.08588	1.9
97.02876	8.0
97.06509	1.5
99.04444	2.1
103.05427	0.9
105.07021	10.9
107.04940	1.3
107.08586	3.4
108.57518	0.5
109.02879	3.3
109.06511	1.8
109.10153	1.3
111.08095	0.6
115.03806	0.4
115.05489	0.5
117.06993	1.8
119.04909	2.0
119.07798	0.5
119.08582	8.3
121.06485	4.6
121.10124	4.7
122.06805	0.4
123.08038	1.7
123.11668	0.5
127.03892	5.7
128.06198	0.7
129.06999	1.2
131.04938	0.7
131.08540	1.9
133.06480	18.4
133.10095	5.1
134.06715	0.6
135.08023	2.7
135.11658	1.3
137.05984	2.7
137.06891	0.5
137.09578	0.9
141.06944	0.5
143.08540	3.5
145.04950	5.5
145.06078	0.7
145.06441	0.6
145.10103	8.2
147.04405	0.5
147.08022	3.7
147.11674	5.2
149.09561	1.5
149.13208	1.1
151.07513	1.8
155.08553	0.7
156.09282	3.1
157.11284	0.5
158.10886	0.6
159.08089	1.4
159.11673	0.8
160.08786	2.9
161.06006	0.6
161.09615	5.5
161.13232	4.4
163.05994	0.5
163.11165	36.1
164.11478	0.8
165.09041	0.8
171.11681	5.3
173.13232	1.9
174.10364	1.5
175.03899	1.1
187.07468	0.5
189.12727	32.2
190.13112	1.1
191.14285	28.6
192.14641	0.8
207.06470	2.1
207.13779	100.0
208.14133	3.5
219.10025	0.6
223.05940	0.6
234.06825	0.9
247.07498	0.7
249.09239	0.8
264.07779	0.6
276.07681	0.5
277.08444	0.9
293.08020	0.7
307.09546	1.0
309.11093	0.9
325.14163	0.6
327.12054	0.5
337.10791	1.5
341.13965	0.8
351.11765	0.7
367.23376	0.5
369.13330	5.6
369.18945	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	369.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.6
51.75320	0.4
53.03938	3.2
55.01849	1.6
55.05492	1.6
57.03425	7.8
59.04991	4.0
61.02900	1.7
62.47047	0.4
62.93810	0.4
67.05491	3.8
69.03075	0.5
69.03421	7.0
69.07048	1.5
71.01344	3.3
71.04981	6.1
71.35496	0.9
73.02892	1.4
73.06515	0.7
77.03921	1.1
79.05482	7.2
81.03401	5.7
81.07040	3.5
82.56527	0.6
83.04984	2.9
85.02893	18.8
85.06529	1.0
87.04458	5.7
91.05459	6.1
93.07040	2.9
95.01286	0.7
95.04955	9.2
95.08603	4.4
97.02867	3.9
97.06491	1.6
97.10148	0.5
99.04436	4.2
101.06029	0.6
103.03958	1.1
105.03374	100.0
105.07011	7.9
106.03690	2.2
107.04950	1.7
107.08572	6.1
109.02867	2.8
109.06493	3.8
109.10132	4.8
111.04420	1.6
111.08090	0.5
113.02384	1.0
113.05978	0.6
115.05464	0.4
117.05495	0.8
117.07005	1.4
119.04923	2.2
119.08562	6.6
121.06505	2.4
121.10155	3.2
123.04408	6.6
123.08042	3.4
123.11676	1.9
125.05946	1.0
125.09616	0.9
127.03890	4.9
129.06973	0.8
131.08539	1.8
133.06462	1.6
133.10129	2.9
135.08029	2.2
135.11679	1.4
137.05956	3.0
137.09595	17.5
143.08578	1.7
145.04965	1.8
145.06508	0.7
145.08513	0.7
145.10103	2.5
147.04391	1.4
147.08011	2.4
147.11696	3.7
149.09607	3.0
149.13272	0.6
151.03874	0.7
151.07498	2.0
151.11197	1.7
153.99458	0.5
154.13026	0.6
155.03349	1.0
156.09340	1.8
159.08067	0.9
159.11673	1.6
161.06003	0.6
161.09578	2.3
161.13234	4.3
162.05571	0.8
163.03854	0.4
163.07498	1.1
163.11166	5.9
165.05475	0.7
165.09137	1.1
165.12700	0.8
167.03386	1.2
167.07005	1.1
169.04883	0.8
171.11681	1.9
171.13811	0.9
172.07239	0.7
172.14130	0.9
173.04468	1.0
173.05913	1.0
173.13164	0.6
174.10320	1.0
175.03865	1.1
175.11169	0.6
177.12750	2.5
179.07005	34.7
179.14291	0.9
180.07509	0.9
180.84877	0.5
189.09142	0.9
189.12714	9.5
190.98492	0.7
191.07024	0.6
191.14310	3.5
195.06410	0.6
197.08092	2.1
207.06404	11.4
207.10129	1.1
207.13770	33.4
208.06073	1.0
208.14105	0.6
219.08072	0.8
225.14778	0.7
234.06801	1.0
235.07506	0.6
247.07591	0.9
248.08345	0.8
249.09239	1.0
263.07092	0.6
264.07648	0.6
269.08029	0.6
276.10117	0.7
277.06735	2.4
277.10928	0.7
279.06613	0.7
279.09976	0.9
291.10138	0.6
292.07578	0.5
293.07983	0.8
294.08841	0.8
295.09586	0.7
307.09659	1.8
309.11270	1.8
315.08636	1.3
323.11426	1.3
333.16833	0.5
337.10626	1.7
339.12341	1.0
340.79694	0.5
341.13852	0.6
351.11685	1.7
351.18188	0.9
369.13159	4.7
369.18704	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
54.12361	1.8
55.01854	1.9
55.05497	4.5
57.03423	5.1
57.07072	2.1
61.02929	2.2
64.98315	1.6
67.05502	5.3
69.03422	22.8
69.07072	3.7
70.93346	2.7
70.93690	4.0
71.01350	4.1
71.04984	22.9
73.02934	2.8
78.38949	1.6
79.05493	6.1
81.03423	9.1
81.07036	11.4
83.04963	6.4
85.02895	100.0
85.06532	4.1
91.05461	23.9
93.07036	5.5
95.04972	5.5
95.08609	8.6
97.02870	15.0
97.06544	2.6
99.04439	7.3
105.07001	16.0
107.08580	6.8
109.02898	7.3
109.06521	7.6
109.10151	6.5
110.27303	1.9
111.04421	1.9
113.06018	5.0
117.07018	2.5
119.04961	3.6
119.08562	11.5
121.06484	3.7
121.10129	7.6
123.08054	4.8
123.11696	60.5
125.06004	9.1
127.03900	10.7
127.07541	8.9
131.07054	7.8
131.08553	3.6
133.06491	4.6
133.10124	8.6
135.08005	3.4
135.11714	2.3
137.05981	2.7
137.09601	4.8
139.07535	2.4
143.08569	3.9
145.04929	4.4
145.08594	54.9
145.10114	9.7
147.08049	5.5
147.11682	15.1
149.05965	2.1
149.09602	24.0
151.07552	8.1
151.11160	20.4
156.09346	4.0
159.08060	5.9
161.13260	6.1
163.11189	10.5
165.12744	2.9
171.11688	6.8
173.13400	2.1
174.10426	10.9
175.03944	2.0
189.12733	71.4
190.22018	2.0
191.09152	12.2
191.14308	13.7
193.08641	7.2
196.66348	1.9
207.06540	6.0
207.13779	67.0
208.14340	2.8
225.14876	3.6
237.14680	2.9
301.59323	1.8
333.16855	15.1
351.18094	14.6
365.01837	1.9
369.14694	3.5
369.19016	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	369.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	1.5
53.03935	1.9
55.01845	2.1
55.05495	4.0
57.03424	2.7
61.02909	1.7
67.05488	2.8
67.95469	1.5
69.03419	20.3
69.07050	3.5
70.02031	4.8
70.02444	2.7
71.04980	3.4
79.05483	10.3
81.03413	4.3
81.07063	7.5
83.04968	6.0
83.08585	1.7
85.02903	15.2
85.06502	1.6
91.05486	8.5
91.30552	1.3
93.07020	5.4
95.04946	4.8
95.08606	5.1
97.02878	6.1
97.06531	2.0
98.21500	1.4
99.04404	2.0
103.05437	4.4
105.07010	12.4
107.04953	1.6
107.08585	10.6
109.02857	2.0
109.06524	3.9
109.10129	4.5
119.08571	8.5
121.06499	16.6
121.10087	6.3
122.10477	1.3
123.08038	7.4
123.11732	1.9
127.03915	4.6
129.07014	2.0
131.04875	2.0
131.08545	3.4
133.06474	100.0
133.10139	7.1
134.06818	2.1
135.08025	10.1
135.11649	1.8
137.05954	16.1
137.09628	2.2
143.08539	2.4
145.04938	3.9
145.10097	4.0
147.08002	4.5
147.11620	6.9
149.09598	3.8
149.13258	1.7
151.07498	5.1
156.09288	1.4
159.08038	2.6
159.11629	1.7
160.08859	1.3
161.09593	5.6
161.13223	3.3
163.11194	16.3
169.12343	1.7
171.11665	2.1
173.13245	5.3
174.10367	2.7
187.07475	2.1
189.12715	39.5
191.14276	47.0
191.16000	2.4
207.06415	3.2
207.13783	48.5
235.07573	1.9
243.13799	2.3
247.07495	2.6
249.08987	3.5
262.06271	1.9
262.09879	1.4
264.07776	1.8
265.08652	1.5
277.08600	5.7
283.09537	1.5
290.09265	1.3
291.10129	1.6
293.07977	3.3
309.10815	2.7
315.23181	1.5
325.10681	1.6
325.14297	1.8
337.10574	2.8
338.11404	1.9
339.12155	2.6
341.13699	1.7
351.12097	2.4
352.13855	1.9
369.13248	25.3
369.18768	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	369.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.01862	6.4
55.05505	17.9
57.03433	13.6
57.07068	2.2
59.04981	5.5
61.02916	6.3
67.05499	4.5
69.03422	30.4
69.07049	5.7
70.06589	2.6
71.04984	25.2
71.61098	2.3
73.02905	8.2
73.06547	46.7
73.06957	2.3
79.05480	4.4
81.03415	17.1
81.07053	5.9
81.97696	1.4
83.04976	15.4
84.08135	4.8
85.02895	72.3
85.06541	6.5
86.09692	2.4
87.04464	2.6
89.06023	100.0
91.03926	2.3
91.05472	4.6
93.07029	6.2
95.04983	3.1
95.08605	5.5
97.02877	38.6
97.06538	2.7
99.04453	9.0
99.08091	4.5
101.06006	39.1
103.07572	11.6
105.07019	4.3
107.04941	3.3
107.07060	3.4
107.08572	4.8
109.02882	14.6
109.06480	4.1
109.10149	8.6
111.04409	3.0
115.03952	4.0
115.07529	2.0
117.05503	4.9
117.09105	7.8
118.85008	1.7
119.07036	16.2
119.08553	5.1
120.08059	1.7
123.04387	2.4
123.08063	1.9
125.09705	2.0
127.03906	33.8
127.11179	2.6
133.04958	5.1
133.06493	2.2
133.10088	3.9
134.05995	2.6
135.06499	23.3
135.11636	7.9
137.05975	4.5
137.08112	5.0
137.09506	2.3
143.10526	1.4
145.04951	29.3
145.10161	1.6
147.04379	4.3
147.08035	2.5
147.11662	2.6
151.03926	2.3
152.07031	3.4
153.09077	2.3
153.12695	9.4
159.11694	1.9
161.06006	2.3
161.13269	2.9
162.05460	2.6
163.06053	6.4
163.09668	2.2
164.07104	5.7
171.13760	6.7
172.97472	1.8
175.07515	3.2
177.05502	2.8
180.06458	1.9
182.08128	2.1
189.12817	4.0
189.14851	5.4
197.08058	2.4
207.06529	7.5
207.13815	6.9
208.06058	5.9
215.09215	2.6
225.08681	2.3
233.10194	2.6
245.10204	4.1
248.99115	2.4
251.10957	2.3
261.09464	2.1
263.11191	2.9
289.12976	4.2
309.01367	1.9
333.15189	1.8
369.14191	6.7
370.14423	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	0.9
55.05492	1.7
57.03416	0.7
57.07070	1.0
60.61279	0.7
61.93681	0.7
67.05494	3.6
69.03410	1.6
69.07053	2.1
69.39358	7.7
71.04969	2.1
72.27921	0.8
75.04488	1.2
79.05478	3.9
81.07037	4.5
85.06472	0.8
91.05463	7.7
93.07012	3.0
95.04966	2.0
95.08604	3.9
97.06522	0.7
105.07018	3.6
107.04936	6.1
107.08580	4.8
107.37817	0.7
108.05714	2.5
109.06491	1.6
109.10136	2.9
111.08029	0.9
112.56983	0.8
115.05453	1.0
117.06975	1.7
119.08572	3.6
121.06484	2.9
121.10102	3.4
123.08028	1.6
123.11688	1.1
124.05164	1.0
125.09563	0.9
128.06216	1.2
128.14336	3.6
129.06999	1.5
131.08578	2.2
133.06459	1.2
133.10092	2.6
133.74696	0.7
134.74364	0.7
135.04361	2.8
135.08061	1.4
135.11641	1.4
136.05165	13.2
137.05917	3.0
137.09502	0.9
139.07500	3.7
141.06898	0.9
143.08492	1.2
144.05663	1.6
145.06448	3.4
145.10069	2.8
146.07210	1.2
147.04401	0.9
147.08011	1.3
147.11630	2.2
149.09538	0.7
150.06734	2.0
151.07513	100.0
152.07866	3.2
157.06454	6.2
157.10030	0.7
158.07208	5.3
159.07968	1.7
159.11655	2.4
161.05884	0.9
161.09538	1.1
161.13287	1.2
163.07515	3.1
163.11159	0.9
163.14746	0.8
165.05489	2.5
165.06915	1.5
165.09070	5.9
167.06961	1.3
169.06459	1.1
171.08083	1.5
171.11674	1.9
172.08798	5.6
173.05920	2.8
173.13187	1.3
174.06764	6.5
175.07419	1.5
177.09033	3.7
177.68091	0.8
179.06969	10.3
181.06454	1.4
181.08487	0.9
182.07227	1.4
183.08040	0.9
186.06688	1.0
187.07558	1.4
187.14841	0.9
188.08308	10.1
189.09056	20.3
189.12700	1.4
189.16374	1.0
190.09724	1.5
191.07025	8.6
191.10599	4.2
193.08577	3.3
195.07983	1.7
197.05927	2.1
198.06680	1.3
201.09065	37.5
201.16338	1.4
202.09445	1.5
203.10629	14.6
205.08524	1.9
207.13910	1.0
209.05876	2.0
210.06607	1.8
211.07529	2.6
212.08331	2.2
213.09071	2.8
215.08644	1.5
215.10619	1.9
218.07321	1.0
219.07921	1.6
224.08272	16.1
225.05441	1.8
225.09023	9.5
226.06175	1.2
231.08060	1.2
231.10127	17.0
233.09592	3.2
234.10390	0.9
235.07484	1.2
238.09818	1.6
239.10555	1.1
240.07738	11.2
241.08508	8.8
244.08736	1.0
245.09630	3.8
246.10388	2.4
247.07426	2.2
247.11018	1.3
248.08104	1.2
249.09058	3.4
250.09883	2.7
252.07840	1.8
253.08609	8.5
254.09212	4.1
255.10112	37.1
256.10492	1.6
259.11108	1.2
261.09015	7.9
262.09827	9.3
263.06796	1.4
263.10541	2.1
265.08566	1.6
265.12216	2.1
266.09274	1.7
267.10208	6.2
268.07953	1.6
268.10873	20.9
269.08017	7.9
269.11075	1.3
273.09012	1.9
274.09824	2.6
275.07297	1.3
275.10611	6.2
276.11292	3.8
277.08627	2.4
277.12180	7.1
278.09348	4.1
278.12448	0.8
279.10077	2.1
281.08206	1.3
281.11606	2.3
283.09610	25.1
284.10345	17.5
287.10660	1.3
288.11331	1.8
289.08661	2.8
289.12167	11.4
290.09390	3.6
291.10022	1.6
292.10773	2.9
293.11603	7.4
294.08908	1.1
294.12360	1.0
295.09567	2.4
296.10403	2.3
298.11945	91.6
299.12683	32.4
300.13089	2.0
303.10083	1.4
304.10922	2.0
305.08209	1.5
305.11676	21.2
306.11932	1.8
307.13147	4.5
308.13898	3.7
309.11188	3.9
309.14325	1.0
311.12711	17.4
312.13260	1.4
313.14017	1.2
319.09875	0.7
319.13199	14.5
320.14001	32.4
321.11127	9.0
321.14438	1.4
322.11588	1.1
323.12759	1.6
324.13556	10.1
325.14090	4.0
335.12735	1.1
336.13446	10.5
337.10751	1.0
338.15094	1.5
339.15872	11.5
340.16119	1.2
341.17413	3.5
351.15817	54.0
352.16220	3.4
369.13290	1.7
369.16919	32.5
369.23505	4.6
369.27826	3.2
370.17126	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09636	0.1
52.46291	0.1
53.03935	0.2
55.01855	0.2
55.05503	0.5
61.99454	0.1
65.03918	0.4
66.04711	0.5
67.05497	0.8
67.29477	0.1
69.03406	0.4
69.07056	0.8
71.04990	0.3
71.08595	0.1
71.62225	0.2
79.05480	2.0
81.03410	0.2
81.07049	3.2
81.07522	0.1
83.04968	0.3
83.08600	0.3
85.02901	0.4
85.06535	0.3
91.05466	2.1
93.07030	1.0
94.04171	3.7
95.04965	0.6
95.08595	1.3
97.02895	0.2
97.06524	0.3
99.04432	0.2
99.08095	0.3
105.03350	0.2
105.07034	0.7
107.04948	1.0
107.08580	1.1
109.02862	0.2
109.06501	2.3
109.10143	0.8
111.08106	0.2
111.11741	0.2
115.05405	0.2
117.06983	0.2
119.04907	0.2
119.08572	0.9
121.06483	0.2
121.10131	0.8
122.03630	9.5
123.08087	0.3
123.11674	0.8
125.09627	0.4
127.11179	0.1
129.06960	0.2
131.08514	0.1
133.10072	0.6
135.08046	0.2
135.11667	0.5
137.05957	100.0
138.06268	1.5
139.11142	0.6
143.08536	0.3
145.10080	0.6
147.04466	0.1
147.08067	0.2
147.11664	0.5
149.09592	0.4
149.13197	0.2
151.03889	0.2
151.07523	1.2
151.11192	0.4
157.06488	0.3
157.10040	0.1
158.07335	0.3
159.11652	0.2
161.09605	0.4
161.13205	0.3
163.11162	0.8
163.14813	0.2
165.05228	0.2
165.12694	0.2
171.11693	0.1
173.09680	0.2
173.13176	0.3
174.06761	0.3
175.07550	0.3
181.12259	0.4
187.07558	0.2
187.14702	0.1
189.07239	0.1
189.09070	0.4
189.12770	0.3
189.16434	0.2
191.07063	0.1
191.10567	0.2
199.14847	0.1
201.09064	1.9
207.06526	0.2
207.13722	0.5
209.11702	0.2
215.06966	0.2
218.07159	0.2
219.77000	0.1
231.06412	0.2
234.06784	0.2
235.07532	0.2
245.08046	2.3
247.07474	0.3
248.08217	0.2
249.09081	0.3
254.09320	0.2
261.09030	0.3
262.06189	0.2
263.10535	0.2
264.07922	0.1
265.08469	0.2
269.08096	0.1
276.07758	0.2
277.08624	0.7
279.10153	0.2
285.11087	0.2
291.10153	0.5
292.10910	0.2
293.08206	0.2
293.11740	0.2
294.08987	0.2
294.12393	0.2
295.09491	0.2
297.11179	0.3
305.08160	0.2
309.11197	0.4
310.11768	0.2
315.19455	0.2
315.23041	0.4
319.09521	0.2
323.12659	0.4
325.14365	0.3
333.24182	0.5
336.10056	0.2
337.10681	0.4
338.11377	0.2
351.12170	1.0
351.25229	0.4
369.06033	0.2
369.13348	2.2
369.18066	0.2
369.20074	0.2
369.23486	0.7
369.28055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.7
53.03949	3.3
55.01870	1.9
55.05511	1.0
57.03428	10.5
59.04992	3.0
61.02916	1.2
65.03929	1.0
67.01862	0.7
67.05495	1.6
67.28480	0.5
69.03425	5.5
69.07051	0.7
69.55334	4.2
71.01346	9.6
71.04976	3.7
73.02905	9.2
75.04478	1.4
79.05485	5.1
81.03397	3.0
81.07043	1.7
83.01318	0.6
83.04963	1.8
85.02892	24.5
87.04467	5.8
91.05468	100.0
92.05802	1.6
93.07030	1.0
95.01317	5.0
95.04965	6.9
95.08574	1.3
97.02872	8.5
97.06512	1.2
99.00800	2.5
99.04433	5.6
101.02377	1.7
103.03919	3.7
105.03376	97.5
105.07027	2.8
106.03703	1.2
107.02466	0.5
107.08548	1.3
109.02879	1.3
109.06506	1.4
109.10146	1.8
111.04453	1.0
111.08070	0.6
113.02345	9.1
117.05474	1.1
119.04910	2.2
119.08558	2.6
121.06461	0.8
123.00778	0.7
123.04412	6.8
123.08116	0.8
127.03910	4.1
128.06192	0.6
131.03403	3.9
131.04843	0.6
131.08583	1.3
133.06447	0.6
133.10126	1.2
135.08035	0.7
135.11646	0.6
137.05965	7.3
137.09563	3.1
141.01816	10.1
145.04944	2.3
145.06413	0.8
145.10039	0.6
147.04419	1.6
147.07994	1.0
147.11638	1.8
149.09615	0.8
151.03831	0.7
151.07515	0.7
151.11113	0.6
155.03386	1.0
155.07054	0.7
156.09335	0.7
159.02870	3.0
159.06528	1.2
161.05928	0.7
161.09621	0.9
161.13202	1.1
163.11128	1.4
165.09100	0.8
167.03398	0.7
167.07016	0.6
169.04932	1.5
171.11638	0.6
173.04465	1.4
174.10349	0.6
175.03923	1.3
179.07011	35.1
179.14223	0.7
180.07312	0.6
187.05981	2.4
187.07527	0.8
189.12738	4.6
191.14314	1.3
193.08577	23.6
197.04399	1.3
197.08058	2.4
207.06464	12.8
207.10097	0.8
207.13779	6.9
215.05435	3.8
221.07895	1.2
233.06415	0.8
235.07803	0.6
235.09669	5.3
247.07550	0.7
277.07007	2.4
277.10611	1.7
309.10965	1.1
315.08383	1.0
323.11142	2.0
333.09683	1.0
337.10397	1.5
351.10770	2.6
369.11810	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	368.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75951	0.8
55.05495	1.9
57.07068	38.2
67.05486	3.6
69.07063	5.6
71.08622	53.5
71.62363	0.8
73.06546	5.1
79.05473	2.4
81.07050	3.9
82.64690	0.7
83.08614	1.3
87.04468	2.2
89.06019	100.0
90.06347	1.3
90.49921	0.8
91.05480	2.1
92.05758	0.9
93.07023	3.1
95.04945	1.0
95.08593	2.0
96.09046	0.7
105.07011	2.3
107.07085	4.1
107.08577	1.9
108.08910	1.0
109.06483	1.2
109.10172	1.6
113.13280	3.5
117.09113	1.1
119.08561	1.4
121.10138	1.7
130.08606	4.3
131.08508	1.2
133.08582	44.0
135.11743	1.3
137.05981	3.4
139.10309	0.9
145.10149	1.0
147.11659	1.3
151.09671	2.6
153.12732	0.8
154.27188	0.9
157.15834	7.8
159.11714	2.0
161.13199	1.2
171.11710	1.1
173.13191	1.0
177.11223	11.5
185.09460	0.7
195.12273	2.2
198.18529	2.1
201.16495	1.2
201.18430	12.6
207.13747	1.2
233.38589	0.8
239.14862	24.3
244.95238	0.9
245.21054	5.2
254.14218	0.8
263.93655	0.9
286.10425	0.9
307.24963	2.0
351.27365	55.1
352.27850	2.9
368.30972	3.5
369.24036	1.8
369.27966	1.8
370.12924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.7
61.02917	1.1
67.58533	0.2
69.03425	2.3
70.85757	0.7
71.04987	0.4
72.85059	0.2
73.02896	0.6
81.03395	0.8
84.13737	0.2
85.02892	6.3
87.04465	0.5
91.03947	0.3
97.02879	2.4
99.04462	0.4
107.67977	0.2
109.02827	0.6
127.03896	1.2
132.03438	0.4
132.04427	5.7
145.04941	1.0
160.03958	0.3
178.04970	63.1
179.05310	2.0
206.04457	100.0
207.04800	3.9
368.09595	0.8
386.04721	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82666	0.6
53.03933	0.8
55.05503	13.2
57.07066	8.9
61.80216	0.5
67.05499	10.2
67.75037	0.5
69.07057	39.4
69.75524	1.4
69.75933	2.3
71.08614	2.1
77.69907	0.5
79.05470	3.7
81.03374	0.5
81.07043	21.1
83.08604	21.3
85.10170	1.5
91.05463	5.0
93.07024	8.8
95.04995	0.7
95.08591	22.3
97.10140	6.6
103.05503	0.8
105.07008	9.9
107.08575	12.2
109.10146	17.6
111.11681	2.3
117.06989	2.6
119.08552	11.9
121.10123	10.2
122.10393	0.6
123.08018	0.6
123.11693	11.8
124.12065	0.5
125.13243	1.9
129.07005	1.6
131.08548	15.5
131.62250	0.6
132.08914	0.7
133.10114	10.5
135.11671	5.9
137.13239	7.9
142.07741	0.9
143.08545	3.0
144.09319	0.9
145.10097	22.4
146.10466	0.7
147.11681	8.7
149.13208	3.7
151.14810	2.1
156.09306	0.9
157.10106	7.4
158.10896	1.2
159.11668	19.4
161.13243	6.1
163.14830	3.6
169.10214	0.9
171.11678	6.2
172.12314	0.6
173.11748	0.8
173.13234	11.7
175.14806	3.9
177.16321	1.2
185.13229	5.0
187.14790	6.7
189.16394	2.5
191.17900	1.2
199.14818	2.7
201.16339	4.9
203.17926	1.8
205.19489	1.5
211.14830	0.7
212.15598	0.8
213.16386	2.1
215.17906	3.7
217.19522	2.0
219.21094	0.6
226.16968	0.5
227.17877	5.2
229.19461	18.1
230.19827	1.1
231.20995	2.9
241.19470	6.7
242.20061	1.0
243.21069	10.9
244.21767	0.7
245.22591	3.1
255.21025	16.3
257.22620	2.1
269.22626	7.7
271.24155	6.0
275.20047	1.7
283.24191	6.1
297.25687	7.1
307.08444	0.7
311.27313	1.2
325.28961	0.9
349.28860	0.7
367.33551	100.0
368.29990	0.6
368.34018	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	367.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.4
55.01857	4.8
55.05503	21.6
57.03427	3.9
57.07074	13.1
57.40696	2.7
59.05014	3.1
62.11258	2.8
64.08935	2.8
65.03921	4.5
65.27489	2.6
67.05492	44.3
69.03427	9.3
69.07061	27.8
70.19146	12.7
71.04982	7.9
72.65299	2.9
75.10065	2.7
79.05483	36.8
81.06569	4.2
81.07046	61.0
83.04996	7.4
83.08606	10.4
83.74649	3.0
85.06513	6.8
88.55040	2.7
91.05471	47.8
92.77464	3.7
93.07032	76.9
95.04960	31.7
95.08592	65.5
97.06497	17.2
99.08051	5.2
105.07019	99.8
107.08575	65.0
109.06508	16.1
109.10149	55.7
111.08070	5.9
115.05450	3.3
116.06260	2.9
117.07007	21.8
119.08567	100.0
121.06497	12.9
121.09309	4.3
121.10127	57.5
122.10475	3.3
123.08069	6.6
123.11680	18.7
128.06209	11.3
129.06978	20.2
130.07771	8.6
131.08553	65.4
133.10117	69.7
135.08066	16.2
135.11678	21.8
137.09648	4.9
137.13287	3.7
139.11186	2.9
141.06992	5.1
142.07777	20.3
143.08533	45.9
144.09335	10.7
145.06494	3.0
145.10112	71.5
146.07245	5.6
147.08031	12.4
147.11667	27.0
149.09636	20.2
149.13240	6.7
151.11118	3.5
155.08543	13.1
156.09348	15.6
157.10123	58.0
158.10866	8.4
159.08073	6.6
159.11684	46.8
161.09605	46.6
161.13226	17.2
163.11188	7.2
167.08575	5.8
168.09358	4.1
169.10124	21.0
170.10847	5.4
171.11691	28.3
173.09616	5.2
173.13254	33.9
175.11183	8.4
175.14783	26.0
179.08575	10.8
180.09296	3.4
181.10095	17.2
182.10878	4.9
183.11661	25.7
184.12444	5.1
184.40807	2.6
185.13261	21.4
187.11092	3.8
187.14830	15.8
189.12747	4.9
189.16324	6.8
191.14415	3.0
193.10117	4.3
194.10960	9.0
195.11671	12.3
197.13213	20.8
199.11095	3.4
199.14757	16.5
201.12738	6.0
201.16415	7.4
207.11678	5.7
209.13246	24.6
210.13760	3.5
211.14838	7.9
213.12727	7.7
213.16405	7.8
213.53584	2.7
217.15750	4.0
221.13292	3.2
223.14816	10.4
225.16403	5.9
227.14330	20.9
229.15704	3.1
237.16298	4.2
239.17937	10.6
241.19443	3.8
249.16432	3.6
251.17952	7.5
253.19559	5.1
255.17528	6.6
257.18951	5.5
265.19485	6.2
267.17310	2.9
293.18683	4.1
349.25180	14.6
367.11639	3.3
367.26181	21.1
367.29990	12.6
367.33603	3.5
392.71924	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.3
55.01859	11.6
55.05506	31.4
57.03429	16.5
65.03923	3.4
67.05494	61.4
69.03413	7.1
69.07057	34.1
69.28582	1.5
71.04969	5.7
71.08608	2.5
71.62286	1.4
71.62681	1.7
73.02856	2.4
77.56396	1.5
79.05479	46.9
81.03382	6.4
81.07043	100.0
82.07334	1.9
83.04992	8.6
83.08604	16.0
85.02882	1.8
85.06525	6.2
85.10116	1.6
91.05468	43.7
93.06465	2.5
93.07032	44.0
95.04949	12.5
95.08593	41.8
97.06517	21.8
97.10127	8.3
99.04422	2.0
99.08089	2.8
105.07013	39.6
107.04971	11.3
107.08582	38.6
109.06523	11.8
109.10149	24.5
111.04413	1.5
111.08047	4.3
115.05401	2.2
117.06997	11.1
119.08568	38.3
121.06487	5.3
121.10127	19.6
123.08038	9.4
123.08811	1.5
123.11699	10.4
125.09632	8.9
128.06168	1.7
129.06990	6.8
131.08551	18.0
133.06485	2.5
133.10121	26.2
135.08073	8.3
135.11670	16.0
137.09586	5.4
141.06984	3.2
143.08516	7.0
145.06447	3.4
145.10098	20.7
147.08037	2.3
147.11656	24.8
149.09605	13.3
149.13243	7.0
151.11128	4.6
155.08563	2.9
157.10120	6.9
159.11667	16.2
161.09630	2.1
161.13225	8.1
163.11140	7.5
163.14818	2.3
165.12769	4.7
169.10092	3.5
171.10216	3.6
171.11665	6.0
173.09509	1.9
173.11804	2.7
173.13144	8.8
175.11154	3.3
175.14833	3.9
177.12711	3.9
177.16240	1.7
179.14299	2.3
183.11731	4.5
185.13161	4.2
187.14830	2.4
189.11214	5.9
189.12770	2.0
191.14236	2.2
195.13753	2.0
197.13213	4.8
199.14803	3.5
201.16386	10.3
207.13832	1.8
215.17940	2.4
219.17540	1.7
227.12630	2.4
229.19498	3.2
231.17627	1.6
239.14384	2.2
239.17854	4.8
245.13719	1.8
247.20547	8.4
257.19052	8.3
263.19775	1.9
269.17416	4.6
275.20020	61.4
276.20285	3.5
293.21097	6.3
331.22705	3.0
335.08981	1.8
349.23856	28.3
350.24191	1.8
367.11630	2.8
367.24686	44.1
367.29947	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	367.2472
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03930	5.3
55.01859	11.6
55.05506	31.4
57.03429	16.5
65.03923	3.4
67.05494	61.4
69.03413	7.1
69.07057	34.1
69.28582	1.5
71.04969	5.7
71.08608	2.5
71.62286	1.4
71.62681	1.7
73.02856	2.4
77.56396	1.5
79.05479	46.9
81.03382	6.4
81.07043	100.0
82.07334	1.9
83.04992	8.6
83.08604	16.0
85.02882	1.8
85.06525	6.2
85.10116	1.6
91.05468	43.7
93.06465	2.5
93.07032	44.0
95.04949	12.5
95.08593	41.8
97.06517	21.8
97.10127	8.3
99.04422	2.0
99.08089	2.8
105.07013	39.6
107.04971	11.3
107.08582	38.6
109.06523	11.8
109.10149	24.5
111.04413	1.5
111.08047	4.3
115.05401	2.2
117.06997	11.1
119.08568	38.3
121.06487	5.3
121.10127	19.6
123.08038	9.4
123.08811	1.5
123.11699	10.4
125.09632	8.9
128.06168	1.7
129.06990	6.8
131.08551	18.0
133.06485	2.5
133.10121	26.2
135.08073	8.3
135.11670	16.0
137.09586	5.4
141.06984	3.2
143.08516	7.0
145.06447	3.4
145.10098	20.7
147.08037	2.3
147.11656	24.8
149.09605	13.3
149.13243	7.0
151.11128	4.6
155.08563	2.9
157.10120	6.9
159.11667	16.2
161.09630	2.1
161.13225	8.1
163.11140	7.5
163.14818	2.3
165.12769	4.7
169.10092	3.5
171.10216	3.6
171.11665	6.0
173.09509	1.9
173.11804	2.7
173.13144	8.8
175.11154	3.3
175.14833	3.9
177.12711	3.9
177.16240	1.7
179.14299	2.3
183.11731	4.5
185.13161	4.2
187.14830	2.4
189.11214	5.9
189.12770	2.0
191.14236	2.2
195.13753	2.0
197.13213	4.8
199.14803	3.5
201.16386	10.3
207.13832	1.8
215.17940	2.4
219.17540	1.7
227.12630	2.4
229.19498	3.2
231.17627	1.6
239.14384	2.2
239.17854	4.8
245.13719	1.8
247.20547	8.4
257.19052	8.3
263.19775	1.9
269.17416	4.6
275.20020	61.4
276.20285	3.5
293.21097	6.3
331.22705	3.0
335.08981	1.8
349.23856	28.3
350.24191	1.8
367.11630	2.8
367.24686	44.1
367.29947	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	367.2474
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03930	4.5
55.01864	18.6
55.05503	31.1
57.03434	16.1
57.07059	3.0
57.99030	1.6
59.04995	1.8
65.03919	2.7
67.05494	65.6
68.05824	1.4
69.03423	8.2
69.07057	36.6
69.54045	4.1
69.54475	8.1
71.04977	5.0
79.05476	47.6
81.03408	3.6
81.07045	100.0
83.04964	12.4
83.08608	16.7
84.39928	1.3
85.02885	2.4
85.06524	6.7
89.30573	1.7
91.05466	38.0
92.05761	1.9
93.07027	47.8
95.04948	15.7
95.08592	51.1
97.06522	27.8
97.10159	9.9
98.21535	1.8
99.04440	2.5
99.08075	4.0
105.07016	40.6
107.04955	12.6
107.05582	1.9
107.07853	2.5
107.08575	47.7
108.08887	1.7
109.06487	14.6
109.10141	25.7
111.08074	6.8
115.05482	2.7
116.78854	1.7
117.06998	12.2
119.07779	2.7
119.08563	33.6
119.92338	1.5
120.08891	2.9
121.06482	7.5
121.10124	25.3
123.08060	8.3
123.11691	11.4
125.09620	12.5
127.07549	1.7
129.06934	4.5
131.00139	2.1
131.08531	18.1
133.10117	34.0
135.08014	7.4
135.11684	14.9
136.73174	1.7
137.09595	7.6
137.13264	4.0
139.11121	3.9
143.08546	6.6
145.06477	1.5
145.10107	25.2
147.08005	3.0
147.11659	23.2
147.12762	1.8
149.09605	20.2
149.13258	8.2
151.11174	10.0
155.08510	3.2
157.10126	7.5
159.11655	13.9
161.09628	2.8
161.13261	8.4
163.11145	15.1
163.14804	2.6
165.12729	6.7
169.10120	5.4
169.12288	2.1
171.10182	3.6
171.11707	5.4
173.09653	2.4
173.13232	8.9
175.11176	4.5
175.14780	3.9
177.12747	3.7
178.54202	1.6
183.11748	5.1
185.13255	4.4
187.11189	2.8
187.13264	1.7
187.14789	5.0
189.11191	7.8
189.12706	2.3
189.16380	1.7
190.01131	1.4
191.10635	2.0
191.14301	2.6
193.12190	2.5
195.11835	2.0
195.13708	3.8
197.13252	5.4
199.14828	4.6
201.16315	2.2
203.14342	2.3
213.12706	1.9
216.97911	1.9
217.15880	2.1
227.12779	3.9
229.19604	3.8
232.29274	1.6
233.18953	2.1
239.17953	6.2
245.13826	3.7
247.20508	4.3
251.20041	2.5
257.19022	10.7
263.20026	2.2
269.17426	3.6
275.20020	63.8
276.20425	3.0
293.21008	5.0
307.08948	1.6
323.77567	1.5
331.22614	3.4
349.23773	41.1
350.23651	1.9
367.12027	9.3
367.24719	38.2
368.24377	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54280	1.4
53.03926	2.0
55.05486	4.6
55.51519	1.2
57.03427	3.2
59.04985	1.6
61.02912	2.9
67.05495	2.3
69.03427	11.1
69.07059	10.7
69.64111	2.9
69.64525	6.7
71.04985	21.6
74.40616	1.3
79.05470	8.1
81.03394	2.1
81.07046	58.4
83.04939	7.0
83.08619	1.5
85.02896	22.4
85.06541	2.6
87.04461	1.5
91.05459	2.4
93.07037	7.3
95.04967	1.7
95.08586	3.4
97.02858	5.5
97.06527	5.4
99.04432	2.7
99.08054	3.9
104.14439	1.4
105.07001	2.8
107.08582	13.7
109.02872	3.9
109.06486	2.6
109.10130	13.3
111.08060	4.1
111.11712	7.3
119.08497	1.8
121.06503	2.9
121.10066	2.9
123.11687	15.3
124.12053	1.8
125.09606	1.6
127.03894	6.7
129.13785	1.5
131.08472	1.7
132.95827	1.6
133.10075	2.7
139.11192	9.6
145.04947	3.4
147.09148	4.1
149.09616	1.7
151.11183	22.8
152.11424	2.2
157.12248	16.3
159.11673	1.9
167.07036	1.4
168.06570	1.2
169.12204	32.1
170.12601	3.9
174.10117	1.3
177.12711	3.6
187.13272	100.0
188.13586	2.6
189.12834	1.7
198.96953	1.5
205.12239	6.8
205.14117	1.9
243.11415	2.0
245.09346	1.5
271.10632	3.5
281.15027	6.8
335.12411	4.1
350.13303	1.6
367.17633	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	367.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	3.3
57.03406	5.8
57.40288	3.5
63.02888	3.6
69.03413	19.7
70.60217	13.7
71.04967	12.8
73.02909	3.4
79.05504	3.5
81.03399	9.0
81.07033	6.4
83.04968	8.1
83.72477	3.2
85.02879	19.2
89.05984	7.3
97.02866	14.7
99.04429	10.8
103.03923	4.9
107.08552	5.7
108.04459	5.0
109.02881	4.1
118.06535	31.0
127.03885	15.4
129.05392	3.8
129.06961	6.2
130.06500	44.4
131.03387	6.6
132.08090	27.7
133.10110	4.5
139.03854	3.9
142.06441	4.6
144.08066	47.2
146.05981	100.0
147.06364	4.9
153.01811	4.6
154.05029	5.8
156.08051	41.3
159.09175	11.7
160.07541	5.7
161.05899	4.1
167.07047	6.2
168.06653	3.8
168.08035	19.4
170.05978	23.9
172.06036	8.3
177.05339	3.4
178.04985	21.2
182.05988	8.1
183.06595	4.9
183.09119	21.5
184.07539	5.7
186.09099	5.0
188.07031	80.7
192.07831	4.4
192.10619	3.8
202.08618	8.7
205.09563	4.5
206.04489	30.5
208.07637	6.4
212.07068	7.4
213.10133	3.6
217.09755	4.3
218.06535	15.5
229.09709	96.7
230.10236	4.1
240.10130	5.4
247.10786	6.6
254.07930	5.8
258.11179	15.5
259.10913	4.2
271.10797	9.7
276.12323	19.4
285.12265	4.3
296.09161	7.0
303.13254	6.8
311.77686	4.3
313.11810	5.2
314.10281	5.9
331.12735	20.9
332.11151	37.5
349.13895	83.4
367.10397	5.6
367.14792	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	366.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.05498	2.0
57.03431	1.4
57.04227	0.6
57.07064	0.7
59.04968	1.2
60.04515	0.7
61.02898	0.9
67.05497	3.6
69.03408	2.3
69.07060	6.3
69.77732	4.2
70.06585	0.7
71.04980	11.3
79.05479	11.3
81.03410	0.9
81.07043	71.9
82.06575	0.8
82.07378	1.2
83.04971	5.7
83.08614	1.3
85.02898	4.9
85.06533	1.9
89.06023	1.3
91.05460	2.1
93.07021	3.0
95.04955	2.0
95.08572	3.3
97.02879	2.0
97.06483	1.5
99.04426	1.5
101.05981	1.0
105.07014	2.2
105.56989	0.6
107.04926	0.9
107.08581	7.1
109.02845	1.1
109.06495	1.5
109.10135	11.5
109.21871	0.7
113.05972	2.8
119.08555	1.5
121.10094	1.4
123.04636	0.8
123.08005	1.1
123.11687	8.3
124.07563	0.9
125.09623	1.4
127.03918	1.3
127.11142	0.7
131.08551	1.0
131.16675	0.7
133.10107	5.8
135.08070	1.5
136.06149	0.6
137.05957	3.8
138.06328	1.9
139.11136	2.9
141.12743	0.7
143.10660	3.0
145.04913	1.1
145.06500	0.6
145.10158	1.0
147.04306	0.7
151.11153	10.8
159.11720	1.0
164.93752	0.7
166.05042	0.8
169.12210	100.0
170.12512	1.2
187.13240	5.4
189.12538	0.8
200.08873	1.0
203.03130	1.7
203.08203	0.8
203.10626	0.8
204.03445	1.5
204.08467	2.1
216.10155	0.8
218.09990	0.8
228.08444	1.3
242.09935	1.1
245.09210	1.1
246.09537	5.1
260.11169	1.5
263.10330	1.1
264.10553	4.4
280.11884	1.3
281.14749	0.9
288.10501	2.8
292.10278	0.8
305.11255	1.3
306.11606	10.5
324.12656	3.1
334.11023	2.7
366.13696	21.2
367.13861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86210	0.9
51.07289	0.7
53.03934	1.5
55.01862	1.7
55.05500	1.2
57.03416	2.8
60.04499	1.0
61.02929	4.3
61.41699	0.8
65.03921	2.7
69.03417	10.7
70.75514	2.9
71.04981	3.0
73.02901	2.0
74.09700	1.9
81.03409	4.4
81.07050	2.0
83.04967	1.8
85.02901	18.8
86.09715	1.3
87.04452	2.6
90.05544	1.3
91.03952	2.1
93.06988	1.0
95.04932	1.4
97.02879	7.7
98.21494	1.0
99.02672	6.0
99.04449	1.7
106.06535	0.8
107.07311	1.2
107.08562	1.5
109.02859	3.3
111.04417	1.7
112.02160	1.2
113.02979	1.8
117.03711	1.9
123.04405	1.4
125.76786	0.9
126.03731	11.5
127.03857	5.0
127.17004	1.0
139.03885	2.5
140.05272	21.7
142.08629	1.1
145.04953	3.6
149.05946	1.8
153.01791	1.3
153.09221	1.1
155.03413	2.8
156.03760	0.9
157.05554	21.1
158.06279	2.1
167.07028	6.6
168.04774	3.8
169.04930	1.1
170.05754	6.6
171.06075	9.4
174.12766	1.1
177.05437	1.9
186.05818	100.0
187.06119	2.8
187.60944	0.8
192.13950	1.1
204.06880	80.6
205.07127	2.0
209.08032	1.2
227.09172	2.5
237.03026	1.1
248.84427	0.9
283.10031	0.8
348.10773	1.4
366.12146	19.4
366.16980	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	1.8
55.01863	6.0
55.05503	26.4
56.96525	0.8
57.03431	9.8
57.07045	0.9
59.04971	0.8
61.02895	1.0
65.03928	0.9
66.20795	0.6
67.05493	29.4
69.03078	0.8
69.03419	11.6
69.07058	38.2
69.46219	2.3
69.46644	3.0
71.04954	2.1
79.05481	22.0
81.03403	5.1
81.07045	23.6
83.04977	3.4
83.08614	9.5
85.02868	1.2
85.06512	1.6
91.03909	0.8
91.05463	13.9
93.07034	18.6
95.01292	0.8
95.04957	7.0
95.08055	0.8
95.08595	12.3
97.02278	1.1
97.02872	16.2
97.06524	3.3
97.10150	14.2
98.20768	1.4
105.04445	0.7
105.06400	0.8
105.07021	11.4
107.04937	6.4
107.08575	14.6
109.02822	0.6
109.06517	3.6
109.10143	9.6
111.04414	1.2
111.08046	2.0
117.07010	6.6
117.75455	0.6
119.04979	0.6
119.07799	0.8
119.08569	10.7
121.06448	2.7
121.10150	5.7
123.08064	3.2
123.11655	1.6
125.08742	0.9
125.09613	12.8
128.06210	1.2
129.06940	2.4
130.07739	0.7
131.08551	7.6
133.06429	1.7
133.10114	4.8
135.08025	3.9
135.10677	0.6
135.11629	3.8
137.05888	0.7
137.09605	4.0
143.08525	1.9
145.06425	0.8
145.10083	5.1
147.08029	4.1
147.11664	3.9
149.09592	1.5
149.13213	2.8
149.49933	0.6
151.11121	0.7
153.09053	1.7
153.12646	0.7
157.10103	2.4
159.08087	1.1
159.11679	3.7
161.09563	2.5
161.13237	0.6
163.11130	2.1
165.09074	2.0
171.10216	1.4
171.11662	1.7
173.11748	1.2
173.13133	1.3
175.11099	1.9
175.14842	0.8
177.12729	1.7
179.10649	1.0
181.12125	0.7
183.11671	0.6
185.13167	1.4
189.11188	7.5
193.12206	1.3
195.11691	0.6
195.13751	2.0
205.12239	3.1
223.13242	26.2
227.12711	2.1
227.18010	0.9
245.18861	1.9
249.14787	0.7
255.17491	1.2
263.19974	1.7
267.08942	1.5
268.09378	0.7
273.18460	12.1
274.18958	0.7
284.12610	0.9
285.10052	5.0
291.19492	100.0
292.19821	4.1
301.12967	1.0
308.11502	1.0
316.61481	0.7
347.21909	2.1
365.23178	56.0
366.23495	3.5
381.64609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.8
54.28747	1.1
55.01868	8.0
55.05502	31.8
57.03430	15.0
57.07037	1.3
59.04974	1.5
61.02908	2.0
65.03913	2.3
67.05495	42.4
69.03069	1.6
69.03421	16.9
69.07056	49.4
70.68321	4.2
71.04974	3.5
73.02935	1.3
79.05479	35.4
80.56902	1.3
80.86367	1.3
81.03406	9.4
81.07046	33.2
83.04951	6.6
83.08597	13.1
83.12424	1.2
85.02870	3.2
85.06528	3.8
91.05468	23.6
93.07027	25.8
95.04963	10.7
95.08595	20.1
97.02894	18.6
97.06494	6.0
97.10152	17.6
97.89304	1.2
103.05428	1.3
105.07019	19.2
107.04931	8.3
107.08582	23.5
109.02862	2.1
109.06478	8.0
109.10139	13.9
111.04459	1.3
111.08066	4.9
115.05474	1.6
117.07037	8.3
119.08557	18.8
121.06480	4.2
121.10110	10.6
123.04456	1.3
123.08043	7.2
123.11688	2.9
125.06045	1.2
125.09597	11.2
128.06195	1.6
129.06987	3.5
130.07648	1.2
130.35121	1.1
131.08565	9.3
133.06474	4.0
133.10106	13.5
135.08011	7.4
135.11691	5.3
137.05957	1.6
137.09644	3.9
137.71800	1.2
143.08546	5.1
145.10092	11.5
147.08000	5.7
147.11694	4.8
149.05960	1.5
149.09592	2.8
149.13257	2.8
151.07509	1.5
151.11160	5.7
153.09097	2.9
155.08662	1.2
157.10130	4.5
159.07962	1.5
159.11708	4.7
161.09633	5.2
161.13229	3.2
163.11172	3.1
163.14717	1.4
165.09103	3.0
169.10081	2.6
171.10263	1.3
171.11687	3.8
173.13249	2.6
175.11182	3.0
175.14798	1.4
177.12766	2.8
179.10583	1.2
185.13155	1.8
187.14792	2.1
189.11206	7.1
189.12668	1.5
193.12213	1.8
195.13812	2.0
196.47183	1.4
201.16360	1.6
203.14339	1.9
205.12239	4.7
223.13223	26.1
227.12741	3.3
227.17950	1.7
237.16260	1.9
245.19066	3.3
249.14757	1.5
253.14439	3.7
255.17540	2.6
263.20236	2.2
273.18439	21.3
291.19492	100.0
292.19830	3.4
305.33014	1.5
337.28949	1.4
347.22183	4.3
365.10513	2.1
365.23248	59.7
366.23566	2.4
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
52.57295	0.8
53.03930	2.6
55.01864	6.4
55.05504	33.7
57.03428	12.2
57.07058	1.0
59.04990	1.1
60.60175	0.7
65.03926	1.7
66.34451	0.9
67.05495	37.1
69.03418	13.1
69.07061	42.1
71.04980	2.6
71.62381	1.4
72.13435	0.9
73.42548	1.0
79.05481	32.6
81.03410	5.7
81.07045	24.6
83.04949	6.9
83.08618	10.9
85.02879	1.5
85.06539	2.2
91.05467	15.3
93.07030	23.8
94.04188	1.0
95.04962	11.3
95.08593	13.4
96.01983	0.8
97.02879	14.7
97.06529	4.4
97.10159	17.0
99.08092	1.1
105.07023	12.7
107.04955	7.7
107.08578	21.2
109.06501	3.7
109.10149	13.0
111.04419	1.3
111.08062	3.6
117.06987	7.7
119.08566	12.9
121.06480	3.0
121.10155	7.2
123.08035	4.4
123.11681	2.0
125.09620	12.1
126.07344	0.8
129.06978	3.6
131.08549	9.1
133.10092	6.5
135.08014	5.1
135.11676	3.7
137.05962	1.3
137.09608	2.6
143.08548	3.4
145.10123	6.3
147.08058	3.8
147.11668	4.7
149.09619	2.0
149.13261	2.9
151.11172	1.3
153.09154	1.3
155.08540	1.8
157.10136	3.0
159.08127	0.9
159.11678	5.0
161.09607	3.1
161.13248	2.0
162.10347	1.5
163.11090	1.8
165.09093	2.5
165.12740	1.1
167.08508	1.1
169.10091	0.9
171.11661	2.9
173.11752	1.3
175.11133	2.7
177.12679	2.3
183.11691	1.5
185.13191	2.5
187.14821	1.1
189.11235	8.8
195.11768	1.7
195.13786	3.0
199.14827	1.4
205.12202	1.5
221.15208	1.3
223.13257	32.0
227.12714	1.7
227.18018	1.1
237.16196	1.0
245.18956	2.0
255.17497	1.2
263.20062	1.6
273.18457	13.8
283.06104	1.5
291.19498	100.0
292.19870	2.7
297.16806	1.0
347.22122	2.3
365.10529	2.9
365.23209	58.6
365.27921	2.6
366.23514	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	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.6
53.04154	1.8
55.01868	17.1
55.05503	30.7
57.03426	23.7
57.07058	4.2
61.02908	1.7
63.01540	1.7
65.03922	2.2
67.05495	82.9
68.99807	1.9
69.03421	9.0
69.07058	31.4
69.52315	14.4
71.04976	10.8
71.08602	2.3
73.02875	2.3
79.05485	61.9
81.03399	17.1
81.07045	95.0
83.01321	2.5
83.04525	2.5
83.04970	22.5
83.08607	12.3
85.02896	4.1
85.06536	9.2
91.03931	2.5
91.05466	76.1
93.07029	70.2
93.25828	1.8
95.04955	23.5
95.08594	48.4
97.02864	4.5
97.06535	10.7
97.10143	5.6
99.04426	3.2
99.08049	2.0
101.06010	2.3
103.05469	1.9
105.07014	63.8
107.04943	16.3
107.08579	58.6
108.08836	2.1
109.02881	3.9
109.06495	16.9
109.10140	53.5
110.10526	1.8
111.04399	7.9
111.08083	11.4
111.11671	2.4
113.05965	2.1
116.06205	2.1
117.07006	17.3
119.08550	25.8
121.06483	11.4
121.10124	25.5
123.04416	3.3
123.08032	8.9
123.11702	16.1
125.05979	3.7
125.09605	6.0
127.03843	1.8
127.07524	2.6
128.06210	4.6
129.06995	8.8
131.08554	23.7
133.06506	15.8
133.10107	100.0
135.08043	20.1
135.11655	18.6
137.05940	4.6
137.09578	6.8
139.07491	4.5
139.11165	3.7
139.23279	1.9
143.08559	7.8
144.09074	1.6
145.10094	16.5
147.08012	9.4
147.11662	12.3
149.09575	19.6
149.13197	6.7
151.11163	54.2
153.12740	2.4
157.10104	6.9
159.08020	5.7
159.11685	12.9
161.09615	16.2
161.13226	7.2
163.11151	6.1
163.14775	2.0
165.09050	2.8
169.10118	2.6
169.12207	10.1
171.11646	7.2
173.09691	3.4
173.13194	6.2
175.11201	8.8
177.09085	8.4
177.12694	5.5
179.10588	6.2
181.10031	2.6
183.11711	2.4
185.09709	2.1
185.13229	4.8
187.11266	2.6
187.14729	4.4
189.12729	6.0
189.16298	2.2
193.12180	2.1
195.10028	2.4
195.13766	6.6
199.11131	3.4
201.16373	3.7
205.12172	2.7
207.13812	3.5
211.14844	2.1
213.16449	3.4
215.12747	5.2
217.16008	2.3
227.17892	5.2
245.18925	10.7
251.12698	3.2
253.14305	60.8
255.17357	6.2
263.20023	16.2
269.10858	2.9
269.13745	5.8
273.18433	43.3
280.17950	1.9
285.10455	3.2
291.19479	34.2
303.29813	2.4
309.16891	2.0
329.20981	3.5
329.24664	4.0
347.22116	8.0
347.25787	6.4
356.61102	2.1
365.10410	6.8
365.23145	86.9
365.27304	12.6
365.32935	8.0
366.23077	2.4
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
53.03922	9.6
55.01862	22.2
55.05506	38.7
57.03431	29.0
59.04965	5.5
61.02911	8.1
61.64307	3.9
65.03941	5.0
67.05494	96.0
69.03401	13.3
69.07060	35.5
71.04968	12.8
71.62180	4.4
71.62611	5.9
72.57656	3.7
73.02937	3.8
79.05485	63.6
80.49765	3.6
81.03399	17.8
81.06577	5.8
81.07049	93.4
83.04968	24.6
83.08608	18.4
85.02885	12.4
85.06524	15.9
86.87494	4.2
88.31785	3.8
91.03938	5.0
91.05462	84.3
91.42886	3.8
93.07027	81.5
95.04958	28.6
95.08593	59.2
97.02872	9.3
97.06519	18.3
97.10130	6.7
99.04428	7.7
103.03885	3.8
105.07001	65.9
107.04959	22.0
107.08582	62.1
109.02852	6.3
109.06505	30.1
109.10150	59.4
111.04417	6.5
111.08058	19.4
113.05972	16.1
116.57757	4.0
116.98531	3.8
117.06999	16.5
119.04885	6.5
119.08556	37.4
119.17416	4.2
121.06475	18.7
121.10131	36.1
123.04447	5.5
123.08022	17.9
123.11667	12.4
125.05931	3.9
125.09635	5.3
128.06172	5.1
129.06978	7.8
131.08546	32.6
133.06497	11.7
133.10118	90.0
134.10611	4.3
135.08058	25.5
135.11636	18.8
137.09573	11.5
137.99797	3.7
139.07500	9.0
142.07745	4.2
143.08534	12.0
145.10100	22.1
147.08049	13.1
147.11708	18.7
149.09595	20.7
149.13176	4.5
151.11165	52.3
157.10080	14.9
159.11646	22.3
161.09595	14.2
161.13226	9.6
163.11098	9.7
165.12793	5.2
169.10165	6.3
169.12236	7.8
171.11600	10.2
173.09633	4.7
173.13272	8.4
175.11162	15.4
175.14966	4.5
177.09065	5.9
177.12761	4.2
177.16254	4.4
179.10674	5.8
180.09244	3.8
181.12177	5.5
183.11607	5.3
185.13132	8.0
187.11087	4.5
187.14822	4.9
189.12637	5.5
189.16321	4.8
193.12093	4.6
195.10117	4.2
195.11713	6.6
199.13098	4.7
199.14796	7.6
201.16438	6.5
203.17905	3.9
207.11937	4.4
215.12735	4.0
217.15884	6.7
227.17821	5.3
245.18977	9.2
251.17931	3.9
253.12042	4.3
253.14371	52.1
263.19995	15.2
267.09015	4.8
273.18402	59.8
283.06201	8.1
285.10098	12.6
291.19470	47.4
311.09790	5.1
329.20975	6.8
329.24698	10.2
347.22122	11.8
347.25757	5.3
365.19574	4.3
365.23212	100.0
365.28061	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	365.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06910	0.4
55.01868	0.5
67.05485	1.0
69.03426	0.5
69.07065	0.8
70.84086	0.6
71.04969	0.9
79.05447	0.8
81.03430	0.6
81.07021	0.9
83.05012	0.6
85.06512	0.6
91.05451	0.5
93.07038	1.2
95.04934	0.9
95.08596	0.7
97.02864	0.4
98.06066	0.5
99.04482	0.4
105.07034	1.1
107.08592	1.0
109.10140	0.8
118.71844	0.4
119.08526	0.6
120.04472	0.8
121.10181	0.6
122.06009	1.6
123.04395	0.5
124.03891	0.6
129.06966	0.5
133.10170	0.5
137.05988	1.2
138.05495	2.2
140.07048	1.5
144.08022	0.5
147.08049	0.7
148.03883	1.2
148.07538	3.9
149.13252	0.7
157.09956	0.5
158.06009	0.7
160.07523	1.0
161.07111	0.8
161.09631	0.4
162.05478	0.5
163.08585	0.5
166.04971	3.9
167.07072	1.0
168.06522	1.8
171.07864	0.4
171.09174	1.1
172.07489	2.2
174.09142	2.1
175.07355	0.6
175.08667	5.2
176.07071	5.7
176.08653	0.7
176.09259	0.9
177.10307	0.5
178.08536	0.7
184.06189	0.4
184.07639	0.6
185.07091	1.0
185.10800	0.5
185.15398	1.5
186.05458	0.6
186.09160	1.3
188.07141	0.6
189.06631	0.6
189.10271	2.2
190.08606	1.3
194.04535	0.5
194.08141	0.7
196.07567	1.8
198.07652	0.9
198.09235	0.7
199.08690	6.0
200.07059	3.1
200.08760	0.8
201.10185	0.7
202.08623	1.5
203.08139	13.2
204.06546	1.3
204.08524	0.7
207.11311	0.6
209.06044	0.5
213.10185	4.0
214.08710	2.3
216.10101	1.3
217.06427	0.7
217.09727	12.2
218.08118	1.6
223.08769	0.9
224.07001	1.0
227.08139	11.5
228.06523	2.3
228.08470	0.8
229.09653	1.4
230.08237	0.5
231.11372	0.6
235.10719	3.0
241.09697	7.8
242.07970	5.0
242.10022	0.6
243.08209	0.5
243.11278	1.1
244.09738	0.8
245.09181	40.4
246.07550	1.9
246.09744	0.9
247.10773	2.0
250.07111	0.9
255.07593	1.0
259.10730	9.1
260.09113	1.3
260.11481	0.5
262.09872	0.6
263.10208	20.6
264.10632	0.7
269.09134	3.4
270.07465	1.1
271.10666	0.8
273.08624	3.4
277.11758	1.2
287.10190	17.9
289.11795	1.4
291.09708	4.6
297.08588	1.0
305.11255	66.9
306.11554	2.9
309.10568	0.5
315.09756	2.8
323.12286	18.2
324.12677	0.9
333.10764	12.6
334.11154	0.9
347.12311	1.8
365.13351	100.0
366.13690	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	364.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.4
57.03422	0.3
61.02894	0.7
62.03963	0.3
69.03402	1.2
69.07041	0.3
70.06574	0.5
70.64223	0.9
72.04482	0.4
73.02916	0.4
78.04681	1.5
79.05457	0.4
81.03404	0.7
81.07032	0.3
83.06580	0.3
85.02889	3.4
90.05499	0.4
93.06988	0.4
95.04928	0.6
97.02859	1.1
106.04135	0.5
107.04905	0.4
109.02841	0.5
112.07587	0.5
123.04394	4.2
124.05191	1.4
127.03857	0.7
137.05923	0.3
140.04651	1.0
145.04921	0.8
151.03841	0.8
152.04633	1.4
155.07010	0.6
167.07004	100.0
168.07396	1.6
180.08598	1.0
184.09662	0.7
185.08043	0.9
202.10712	0.9
278.15573	0.3
365.02942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23246	1.1
69.84937	5.8
69.85340	1.7
98.18839	1.0
110.41372	0.9
119.01878	2.2
131.01881	3.5
131.52049	0.9
137.01860	2.4
143.01877	2.8
143.51990	1.2
158.02438	1.3
161.03001	1.3
173.02972	3.5
185.02800	2.1
185.04318	6.3
203.05344	13.1
215.04051	1.1
224.04454	1.2
245.05104	4.5
263.06061	1.8
365.08029	100.0
366.08716	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46944	0.6
55.05503	0.8
55.89709	0.7
56.96551	5.2
57.03419	2.1
58.99853	0.9
61.02916	1.2
69.03416	4.5
69.70801	2.2
69.71233	2.9
73.02907	0.9
77.00899	1.0
81.03400	2.2
84.04461	0.6
85.02894	6.0
85.06521	2.7
97.02879	3.9
98.20818	1.7
98.21452	1.4
98.97570	6.2
99.04449	1.7
101.00873	4.5
103.02419	1.3
105.27706	0.7
109.02876	1.3
110.97568	1.4
113.00864	0.9
115.02405	2.1
115.03916	0.7
116.98581	4.6
119.01907	15.0
121.01656	0.8
121.03474	0.7
122.01367	1.0
124.95508	0.7
127.03904	2.4
128.98567	1.7
130.06554	0.9
131.00208	0.7
131.01900	13.5
131.05556	3.2
131.52000	0.9
132.01888	0.7
133.03494	5.2
134.99664	1.4
135.05037	1.7
137.01927	1.5
137.02933	1.6
138.05501	1.0
140.02551	0.7
142.96509	0.8
143.01874	5.8
143.05502	2.2
144.01791	1.2
145.01648	1.1
145.03436	7.0
145.04900	1.3
146.99620	1.5
147.01357	1.0
147.03191	0.8
147.05040	1.8
149.02943	2.5
149.06612	6.8
153.01805	4.1
155.01892	8.2
156.02667	1.2
157.03447	3.4
158.02322	0.7
158.99670	1.3
159.05003	4.3
161.01250	0.8
161.01575	1.0
161.02962	9.3
161.06590	17.2
163.02701	0.7
163.04474	2.5
167.01869	0.7
167.05527	1.9
168.06479	0.9
169.06964	1.2
170.99629	1.3
171.05037	2.0
173.02953	15.5
173.06549	6.4
174.03056	1.3
175.02802	0.8
175.04471	2.0
177.00772	1.2
177.04362	1.2
177.05969	1.2
179.05435	0.7
179.07654	9.2
185.02910	7.3
185.04295	1.4
185.06583	12.2
186.46654	0.8
187.04581	1.0
187.08154	2.2
188.97133	0.9
189.00739	1.3
189.06084	2.7
191.07564	1.3
195.05115	1.0
196.02208	1.8
197.02969	2.8
197.06587	5.6
199.04587	0.7
199.08090	3.7
201.00681	0.9
201.06206	1.4
202.06845	1.0
203.02187	1.4
203.03806	7.8
203.05658	1.0
203.07622	29.2
203.53958	0.8
204.03766	0.9
205.03748	1.2
205.05551	0.9
205.09242	0.9
208.99561	0.8
209.03105	1.0
209.06552	1.4
211.08041	0.7
215.04268	1.3
215.07610	34.6
216.07809	2.4
217.09204	5.7
219.01775	1.6
219.05214	0.8
219.07080	0.8
221.03110	1.3
221.05020	13.8
227.04004	2.0
227.07657	3.2
229.09279	1.5
230.98145	2.3
231.03238	0.8
235.06596	1.0
237.02835	2.0
239.07693	9.0
245.05115	14.7
245.08769	4.3
246.05470	1.0
246.08055	1.0
248.99159	1.1
257.04865	1.3
257.08740	2.7
259.06607	1.1
261.08191	1.8
263.00571	1.6
263.03375	0.9
263.06174	3.0
269.08698	1.2
273.04556	1.2
275.06134	1.5
275.09891	4.5
277.03464	1.2
279.05573	1.1
279.09271	2.7
282.99796	0.8
287.09848	4.1
291.05972	0.9
293.07211	0.8
303.01334	2.0
305.10785	100.0
306.11011	5.4
317.00113	0.7
323.11853	25.4
324.11865	1.5
346.13623	1.1
347.11829	1.0
365.08475	2.8
365.12775	11.9
366.12695	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	16.9
55.06772	4.5
57.07052	9.4
67.05492	21.8
69.03418	7.5
69.07062	60.8
69.39153	4.3
70.97070	5.4
70.97405	9.8
71.04953	5.2
71.08637	8.1
78.92442	4.7
79.05477	12.5
81.03419	4.5
81.07047	100.0
83.04949	7.7
83.08630	20.2
85.02874	6.0
85.06531	13.3
85.10217	3.7
91.05454	8.2
93.07038	32.7
95.08044	6.1
95.08601	77.3
97.06520	13.9
97.10152	5.3
99.08070	12.4
105.06998	18.6
107.08557	33.1
109.10151	39.1
111.08065	16.1
111.11692	16.8
119.08554	15.3
121.06468	4.4
121.10113	22.5
123.11709	36.5
125.09514	3.8
133.10123	7.4
135.11687	16.4
137.13217	23.1
139.11147	5.6
145.10126	4.9
147.11694	13.3
149.13232	19.0
153.12717	19.6
157.10208	5.4
163.14755	10.6
165.12685	13.3
167.07024	25.4
171.13771	4.6
175.14761	5.0
177.16327	4.3
190.47632	4.2
208.14851	4.5
217.19327	5.3
273.25729	8.8
279.26706	10.0
291.26657	28.8
297.27994	4.5
309.27774	19.6
318.10992	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	363.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06839	2.2
55.05507	14.1
57.01988	2.4
57.07058	7.9
65.03946	2.6
67.05502	21.8
69.03414	4.0
69.06718	3.4
69.07061	44.1
69.36885	2.9
71.04964	4.0
71.08606	5.7
71.16811	6.8
79.05487	17.2
81.03396	5.8
81.07042	100.0
83.08612	20.5
85.06532	15.1
91.05458	7.1
93.07027	28.8
95.04931	4.0
95.08593	72.3
96.75115	2.5
97.06509	10.1
97.10149	5.8
99.08095	6.0
105.07004	12.3
107.08576	34.4
109.02861	3.8
109.06473	3.2
109.10141	43.0
111.08075	9.4
111.11683	7.6
113.22701	2.9
117.07026	3.0
119.08566	8.4
121.10132	23.6
123.04388	4.5
123.11677	40.0
127.03867	3.4
131.08539	4.0
133.10133	4.8
133.72023	2.5
135.11658	19.1
137.05919	3.9
137.13220	20.3
139.11137	4.6
141.12733	4.0
147.11635	6.1
149.13234	22.2
151.07472	2.8
153.12701	14.3
159.11736	3.8
161.05917	4.0
161.13240	5.4
163.14778	9.3
165.16426	3.8
167.07016	36.9
167.14291	6.3
171.11618	4.2
173.04330	2.4
175.14906	3.2
177.16321	9.6
191.17885	3.7
203.17892	3.1
205.19484	5.4
217.19566	3.2
273.25754	9.5
279.26846	3.3
291.26804	33.0
297.27570	3.3
309.27783	12.9
318.10968	8.1
327.28928	5.0
363.21692	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	363.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55185	3.0
53.03930	3.9
55.01862	3.4
55.05499	17.5
57.07066	10.7
59.04987	3.6
60.65599	2.6
67.05495	27.1
69.03403	6.8
69.06716	4.7
69.07062	64.5
70.67030	5.2
71.04977	5.0
71.08612	7.2
79.05487	18.2
81.06572	5.5
81.07047	100.0
83.04976	4.5
83.08616	16.7
85.06539	17.0
90.06011	2.7
91.05465	11.8
93.07027	32.7
95.04935	3.1
95.08593	70.3
97.06502	9.7
97.10165	7.1
99.08101	14.2
104.15466	3.0
104.93390	2.6
105.07001	16.7
107.08592	38.5
109.02851	3.7
109.06476	6.3
109.10146	52.8
111.08079	15.2
111.11720	15.5
119.08553	9.7
121.10128	21.6
123.04395	7.0
123.11695	36.1
124.07558	3.8
125.09590	3.5
126.09231	2.8
129.07094	2.4
131.08565	3.5
133.10135	7.0
135.08037	3.2
135.11676	20.3
137.05994	5.2
137.09644	2.6
137.13225	23.4
139.11191	20.8
147.11656	10.4
149.13246	25.4
151.07527	3.4
151.14816	3.7
153.01828	3.4
153.12727	17.6
155.14325	4.4
157.10173	3.5
161.05962	4.1
161.13210	6.3
163.14745	13.0
165.12717	8.7
165.16348	4.5
167.07027	48.3
167.14331	10.7
171.13759	4.6
175.14812	3.5
177.16315	5.8
181.08600	4.6
183.13667	3.6
188.03394	7.1
191.17853	2.8
193.08530	4.0
206.04422	4.6
217.19484	6.2
223.20529	4.2
261.25784	4.4
273.25714	9.2
279.26801	11.9
291.26730	43.5
297.27884	5.3
309.27893	27.6
313.11435	4.1
318.10892	12.1
327.29016	4.1
345.20374	2.9
363.17706	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	363.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00302	2.1
53.03944	3.6
53.06009	2.3
55.01862	3.2
55.05510	12.9
57.03424	3.2
57.07066	14.5
61.29217	2.5
67.05500	19.0
69.03419	7.3
69.07061	44.5
71.04989	5.5
71.08598	4.3
78.04693	2.6
79.05482	19.6
81.03394	4.4
81.07049	87.7
83.08598	12.8
85.02898	9.6
85.06519	10.7
91.05464	14.7
93.07035	33.3
93.24509	2.1
95.04955	6.6
95.08595	59.5
97.02911	2.7
97.06529	7.4
97.10175	10.1
98.89178	2.3
99.08074	8.2
105.07006	12.0
107.04973	3.6
107.08583	33.9
109.02876	9.1
109.06541	4.2
109.10149	44.7
111.08056	11.2
111.11728	7.1
119.04971	2.6
119.08567	8.6
121.06529	7.6
121.10141	30.5
123.04436	5.0
123.08070	4.8
123.11683	45.0
123.50008	2.2
124.05231	2.2
125.09631	4.1
127.03889	5.2
129.06932	2.5
131.04915	2.9
131.08566	3.2
133.10139	6.9
135.11668	19.9
137.05978	6.1
137.13219	21.8
139.07645	2.4
139.11157	5.4
141.12674	3.6
145.10092	6.6
147.04501	3.1
147.07959	2.6
147.11674	6.6
149.06015	2.8
149.09654	3.5
149.13237	21.2
151.03845	2.6
151.07552	4.8
151.14783	5.3
153.01820	3.1
153.05440	2.8
153.12726	12.6
159.11656	3.5
161.05997	3.5
161.09622	2.5
161.13235	4.5
163.14807	10.1
165.12804	2.5
165.16426	2.5
167.07025	100.0
167.14363	4.8
167.64906	2.4
168.07391	6.9
177.05455	3.1
177.16388	8.3
179.07040	2.8
179.17949	3.7
181.08582	9.2
182.08936	2.6
189.09250	3.1
191.07047	3.2
191.17950	3.9
193.08533	2.8
195.07996	2.8
201.16449	4.2
205.19455	3.0
215.07184	2.4
217.19508	9.2
219.13919	2.2
235.20547	3.2
253.21805	2.2
261.25928	4.0
273.25754	12.1
279.26755	7.8
291.26788	37.8
297.28104	3.4
308.70319	2.8
309.27911	14.4
313.10648	3.1
318.10956	23.0
327.28845	8.2
333.13364	6.6
345.13037	4.0
363.17755	4.8
363.21631	3.8
381.47607	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	363.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.05497	1.1
57.03412	0.3
62.81461	0.2
66.62918	0.2
67.05500	1.3
68.96204	0.2
69.03404	0.6
69.07055	1.2
71.04986	0.4
71.22767	0.2
71.62454	0.4
78.04693	0.3
79.05469	1.1
81.03415	0.5
81.07044	2.2
83.04960	0.7
83.08589	0.3
85.02908	0.3
85.06535	0.7
86.91747	0.2
91.05463	1.4
93.07051	1.5
95.04937	0.8
95.08588	1.9
97.06480	0.4
97.10139	0.6
105.07014	1.8
107.04929	0.5
107.08567	1.6
109.02824	0.4
109.06535	0.6
109.10156	1.4
111.08041	0.3
115.05444	1.2
117.05736	0.4
117.07012	1.9
118.06526	26.7
119.06805	0.5
119.08569	1.6
121.06491	0.6
121.10150	1.2
123.04410	0.9
123.08076	0.4
123.11719	0.7
124.05102	0.2
125.09618	0.8
127.03925	0.4
129.06967	0.4
131.01851	0.2
131.08537	0.6
132.08096	2.2
133.08893	1.3
133.10132	0.9
134.09601	0.4
135.08023	0.6
135.11705	0.6
137.05937	0.3
137.09583	0.4
137.13217	0.3
142.06508	1.9
143.07286	1.6
143.08455	0.5
144.04425	0.3
144.08066	10.5
145.06471	0.5
145.10118	0.9
146.05988	43.5
146.09608	1.5
147.06352	1.1
147.10429	0.3
147.11668	0.6
149.09602	0.4
149.13277	0.5
151.07478	0.3
153.01781	0.3
155.07141	0.2
157.10060	0.4
159.08028	0.4
159.11659	0.7
160.07582	0.5
161.05917	0.3
161.13232	0.4
163.11217	0.3
163.14813	0.3
165.12718	0.3
167.07025	10.9
168.07356	0.6
169.10091	0.3
170.06003	3.3
173.05914	0.3
173.13168	0.3
173.51950	0.3
176.14322	100.0
177.09131	0.3
177.14668	3.2
179.10664	0.3
181.08575	1.2
183.11606	0.3
187.14714	0.3
188.07039	28.4
189.07370	1.1
191.14314	0.2
195.08084	0.3
201.12744	0.3
201.16338	0.2
211.07663	0.3
216.13875	0.8
234.14815	2.1
261.18536	0.4
271.16934	0.5
289.17966	0.3
301.10635	0.4
313.10596	0.5
318.10855	2.1
333.13181	0.9
345.13361	0.9
345.20493	0.6
363.20636	34.9
364.20871	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80085	0.5
53.03940	0.7
55.01860	0.9
61.02896	0.9
63.93806	0.6
69.03408	2.6
70.06580	1.2
71.04982	0.6
71.53001	1.4
73.02910	1.1
73.34136	0.5
77.03904	0.9
81.03400	1.1
83.04963	0.9
85.02887	9.3
86.09704	0.9
91.03975	0.6
91.05467	2.5
93.07018	1.5
95.04953	11.3
97.02874	2.9
99.04436	1.1
107.04965	0.7
108.08067	0.7
109.02878	1.1
112.03929	0.7
115.51162	0.6
119.04902	1.5
121.06472	2.9
122.06010	0.9
123.04408	100.0
124.04739	1.3
126.09208	0.6
127.03894	2.3
135.77179	0.6
136.07542	1.2
137.05968	3.8
138.06361	1.3
139.03882	1.0
145.04927	2.4
147.04396	1.7
151.03767	0.9
153.01788	0.6
154.08586	1.2
164.07002	1.0
165.05452	63.7
166.05779	2.1
180.08672	1.0
182.08098	9.4
183.06517	1.0
183.08011	1.4
200.09099	5.6
203.06790	0.6
207.08011	3.4
228.16872	0.6
235.07486	3.7
239.07040	1.8
253.08566	2.9
281.07999	1.2
298.10349	0.8
299.08875	1.1
316.11667	2.1
339.12259	0.6
362.12170	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	362.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
55.01860	6.3
57.03427	5.0
60.04514	2.3
61.02930	11.1
69.03413	20.5
70.15224	11.3
71.04990	3.9
73.02917	6.1
81.03396	11.5
83.04955	3.3
84.28402	2.1
85.02898	100.0
85.93509	2.4
87.04437	4.4
91.03947	8.3
91.05472	18.9
93.07051	2.4
95.04945	6.1
97.02880	27.8
99.04425	6.1
101.06032	2.3
103.03908	2.9
109.02865	8.7
109.06416	2.1
113.47373	2.1
119.04935	17.9
122.06039	2.9
123.04414	20.4
124.07536	5.0
126.09158	2.9
127.03869	22.6
129.05457	2.8
136.07574	6.1
137.05957	62.2
139.03844	5.1
145.04935	39.4
147.04376	9.4
148.74402	2.0
153.01869	7.1
154.08626	18.7
155.06996	2.9
157.06471	3.4
163.05922	7.3
164.07062	5.3
165.05469	38.0
167.06979	3.7
182.08096	48.3
183.06503	17.9
183.08015	5.2
185.05904	3.6
197.27374	2.4
200.09148	35.0
203.06990	7.2
206.25322	2.0
207.08023	6.7
210.24310	2.3
211.07561	3.1
221.05780	2.1
223.07544	2.2
227.07127	2.9
231.06570	2.9
235.07538	12.8
239.07011	6.0
249.07626	12.8
253.08595	12.5
281.08020	3.6
291.08618	6.4
297.36783	2.3
299.09201	5.4
316.11816	7.7
362.11932	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	362.1227
Annotation	N-hydroxy-4-aminobiphenyl glucuronide
Peak:m/z	Relative Intensity
51.53456	0.5
53.95443	0.6
55.01862	1.5
57.03433	0.8
58.46317	0.6
60.04500	0.9
63.95976	0.5
65.26698	0.6
68.36028	0.8
69.03412	1.3
69.35658	0.6
71.04961	0.9
71.61434	0.7
76.27379	0.6
79.05452	0.8
81.03397	2.0
81.07072	1.0
84.04495	1.6
85.02883	1.7
91.05517	0.8
95.04954	1.2
95.08578	1.2
96.61785	0.5
97.02877	1.8
101.15993	0.7
107.08529	0.7
109.02814	1.0
121.02841	13.1
121.06466	0.9
123.04443	0.6
124.07552	0.8
127.03889	0.9
131.04877	0.7
137.05945	0.8
139.03847	2.9
141.06998	1.2
145.04901	0.7
152.06290	0.7
153.07056	1.3
155.08521	1.7
165.06960	5.5
165.09142	0.7
165.36346	0.6
166.07678	0.7
167.08557	1.4
169.06453	1.5
178.07751	2.6
179.08524	8.4
181.06448	1.0
182.07176	1.0
182.11639	0.9
183.08009	17.4
187.07547	1.9
189.06883	3.5
190.07666	1.1
191.08546	1.9
192.07436	0.9
192.10225	1.0
193.06192	3.3
193.07896	1.1
194.07169	1.3
195.08037	1.6
197.05959	1.3
197.09616	1.0
200.12779	4.1
206.07237	1.3
207.08008	57.6
208.08275	1.4
209.09656	2.5
210.06783	1.5
211.07504	13.3
212.07983	0.8
215.87550	0.7
217.06451	7.5
218.07236	1.3
219.08046	1.6
221.05898	7.3
223.07471	9.1
225.09053	2.7
234.06647	1.1
235.07491	100.0
236.07771	3.2
237.09068	3.1
239.06982	32.8
240.07326	1.4
241.08702	0.7
252.10205	0.8
253.08545	89.2
254.08936	2.4
257.08087	4.6
263.07007	5.7
265.07047	2.0
270.11267	2.3
271.09528	0.7
280.09802	1.1
281.08035	24.5
283.08051	3.3
285.07733	0.9
298.10745	2.3
299.09076	38.7
300.09653	0.8
316.11737	27.8
326.10193	0.9
344.11282	1.6
345.02664	1.0
345.09592	10.0
349.38153	0.6
362.12219	94.4
363.12375	1.8
367.52917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48498	1.8
53.03937	7.2
55.01857	6.7
55.05499	12.5
57.03413	2.2
57.07059	6.2
59.04984	2.4
65.03925	4.2
67.05493	34.7
69.03410	10.7
69.07058	43.7
70.26830	8.5
71.04974	10.2
71.08628	3.2
73.66938	1.7
74.46791	1.7
79.05478	26.2
81.03400	24.7
81.07043	100.0
82.07362	2.0
83.04966	6.7
83.08619	9.3
85.02895	3.4
85.06525	21.3
91.05463	27.9
91.05992	2.1
92.05801	2.2
93.07026	50.6
95.04974	11.4
95.08588	64.7
97.02877	2.3
97.06514	14.5
97.10152	6.5
99.04433	5.2
99.08079	7.6
103.05449	12.3
105.07012	35.0
107.04942	27.9
107.08571	35.3
109.02858	65.3
109.06500	13.8
109.10130	39.7
111.04449	5.0
111.08051	21.3
111.11713	5.2
113.06053	2.1
115.05424	3.8
117.06995	7.8
119.04916	12.4
119.08550	15.1
121.06487	18.3
121.10109	26.7
122.03722	2.3
123.04409	6.3
123.08044	5.3
123.11684	38.8
124.05220	3.4
125.06009	3.9
125.09659	5.1
127.03918	3.7
127.07513	5.9
128.06186	4.8
129.06987	14.6
129.09100	2.3
131.04932	8.4
131.08524	12.5
133.02843	3.3
133.06471	10.2
133.10121	12.3
135.04422	5.4
135.08049	8.5
135.11665	21.7
136.05222	2.4
137.05956	30.5
137.09604	3.3
137.13196	12.9
139.07506	2.7
139.11153	9.0
141.06958	3.3
142.07735	2.6
143.06952	2.0
143.08560	6.1
145.06473	5.8
145.10091	11.6
146.07265	2.1
147.04436	5.6
147.08000	3.1
147.11702	15.1
149.05949	4.4
149.09575	2.5
149.13223	19.4
151.03885	6.5
151.07535	13.8
151.11169	7.5
152.04741	2.4
153.05475	8.5
153.12720	8.9
154.07678	1.9
155.07132	2.2
155.08510	3.4
155.10599	3.2
157.06435	12.6
157.10123	3.6
159.08055	4.2
159.11705	8.6
161.05959	29.5
161.09604	7.3
161.13246	7.6
162.06396	2.6
163.07512	23.8
163.11142	3.4
163.14766	9.4
165.05486	4.1
165.07007	6.3
165.09106	5.7
165.12738	5.1
166.06250	8.1
166.07603	2.6
167.07022	49.4
167.08401	3.2
167.14363	2.2
168.07372	4.5
169.10187	3.4
169.12175	3.7
171.08008	3.0
171.11601	2.5
173.06055	2.4
173.09618	3.9
173.13181	4.7
174.06741	5.0
175.07506	8.7
175.11182	2.6
175.14790	7.9
177.09073	8.5
177.16405	5.3
179.07010	5.3
179.08464	3.8
179.14270	2.6
180.07787	4.0
181.05020	3.2
181.08577	61.8
181.10193	3.4
182.07228	3.2
182.08934	2.7
183.13788	3.2
187.07460	3.2
187.11147	4.4
189.05414	2.7
189.09074	52.2
189.16333	5.2
191.06970	3.6
191.10652	2.7
191.17967	3.3
193.06425	3.1
193.08618	4.2
194.07297	3.9
195.08046	6.5
197.09618	6.8
199.07724	2.6
199.11192	4.0
201.09074	2.3
203.18008	6.1
205.08490	2.7
207.06384	4.1
207.08324	3.7
207.10127	16.0
207.13913	2.6
208.08833	3.2
209.05745	2.2
211.07561	4.8
211.16879	3.3
212.08252	2.4
215.10681	7.5
215.17958	8.7
217.08585	2.3
217.12251	8.1
219.08127	4.5
219.10057	2.4
221.05925	2.8
221.18852	3.4
222.06763	2.2
223.07590	4.1
224.08228	2.8
225.05666	2.7
225.09071	9.6
227.06944	5.1
233.11693	2.9
233.18953	6.2
235.13364	4.7
236.08290	2.8
237.09091	2.4
239.07195	2.1
239.20129	9.1
240.07773	3.3
241.08536	2.8
242.09105	2.3
251.19992	13.3
253.08650	6.3
255.10092	3.6
257.11749	9.3
259.24246	2.0
268.07385	2.4
269.08057	2.7
271.24136	4.4
277.25284	4.6
283.09662	7.5
283.12863	3.6
285.07843	3.9
285.11151	21.7
286.11554	3.6
289.25150	12.2
295.26328	2.0
297.11102	4.3
299.12708	2.6
301.14343	2.8
305.13544	2.1
307.13251	4.2
307.26282	14.9
311.12753	3.2
315.12094	9.5
317.13818	15.7
325.14023	3.0
331.15164	3.1
343.11749	3.7
343.15207	12.7
361.16495	22.3
362.16824	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	361.164
Annotation	5-O-Methylhirsutanonol
Peak:m/z	Relative Intensity
53.03924	3.6
55.01866	2.6
55.05490	1.5
59.04997	1.1
65.03907	1.3
67.05481	3.6
69.03419	2.2
69.07034	4.2
69.95970	6.8
71.81111	1.1
78.04693	1.6
79.05490	13.1
81.03389	5.3
81.07052	9.9
83.04940	3.0
85.06532	3.6
91.05476	26.1
92.79940	1.1
93.03368	1.6
93.07029	13.7
95.04950	8.0
95.08597	5.5
99.04434	1.2
103.05456	12.4
105.04521	1.4
105.07020	15.0
107.04940	24.6
107.08548	3.3
109.02869	11.9
109.06496	4.5
109.10126	3.9
111.04452	2.7
115.05434	3.4
116.06276	1.2
117.03299	1.2
117.06995	4.7
119.04913	5.0
119.08534	3.3
120.05669	2.4
121.06486	18.4
121.10135	3.9
122.03591	2.0
123.04385	6.1
123.08026	2.5
123.11671	2.8
124.05175	3.5
125.05966	3.8
128.06235	6.3
129.06999	22.3
129.09117	2.1
131.04924	8.7
131.08562	10.9
133.02823	2.9
133.06483	5.5
133.10138	1.5
135.04384	2.9
135.08032	7.3
135.11673	1.9
137.05960	19.9
138.03186	1.7
139.07613	1.6
139.11168	2.5
144.05621	1.6
145.06427	5.9
145.10103	1.7
146.03613	1.6
146.07280	1.6
147.04405	7.0
147.08017	2.6
147.11687	2.0
148.05173	3.8
149.05969	8.2
149.13208	1.5
150.06683	2.0
151.03882	2.9
151.07520	19.8
151.11186	1.4
152.04625	3.9
152.06125	1.5
153.01784	1.5
153.05473	12.8
153.06650	2.1
154.07727	1.6
155.07083	2.5
155.08551	1.8
155.44037	1.3
157.06470	15.7
157.10063	1.3
158.07260	1.6
159.08032	3.4
159.90776	1.2
161.05968	31.4
161.09601	10.7
162.06502	2.2
163.03928	1.8
163.07526	23.4
165.05615	2.4
165.06929	7.7
165.09071	8.9
166.06247	10.2
166.07573	2.2
167.07033	68.7
167.08511	3.8
168.07344	2.5
169.10138	1.9
171.08080	2.9
173.05981	1.7
174.06743	12.1
175.07526	7.4
177.06972	1.8
177.09071	12.8
178.07721	1.5
179.07014	6.1
179.08566	4.0
179.10695	1.3
180.13484	1.3
181.05000	3.0
181.08574	100.0
182.07196	5.3
182.08827	3.3
183.07996	2.8
189.09085	70.6
190.07822	1.4
190.09456	3.6
191.06978	1.9
191.08524	2.8
191.10669	4.1
193.06519	3.8
193.08624	1.7
194.07201	2.9
195.08015	9.6
196.08733	1.5
197.05933	1.9
197.09601	9.0
199.07529	2.7
203.06995	1.5
203.10686	2.2
205.06467	1.1
205.08569	1.6
207.08049	3.5
207.10133	15.7
208.05107	1.7
208.08783	3.4
209.05888	3.7
209.09550	2.0
210.06717	4.5
211.07521	4.1
212.08266	1.9
213.09140	1.4
217.12158	1.7
219.08018	4.4
219.10017	2.7
220.08818	1.5
221.05940	3.5
221.09596	1.4
222.06685	4.2
223.07523	7.1
223.11154	3.9
224.08214	2.4
225.05475	3.2
225.09041	13.1
227.06956	6.4
227.10713	1.7
229.12143	3.4
235.07455	4.4
236.04515	1.5
236.08302	4.7
237.09016	4.2
238.06252	1.5
239.06934	4.8
239.10561	2.8
240.07771	4.4
241.08485	2.8
242.09387	2.6
247.07547	2.6
250.06097	1.6
251.06978	3.6
251.10654	6.4
252.07713	2.0
253.08537	12.3
254.09244	2.0
255.06412	2.6
255.10175	4.8
257.07928	1.9
257.11746	15.2
259.09436	1.6
264.07785	2.0
265.08582	3.9
267.06329	1.8
267.10043	3.1
268.07336	2.5
269.07968	3.6
270.08871	3.2
271.13196	2.8
279.10117	6.8
281.08060	2.3
283.09610	9.7
283.12830	10.4
284.09912	2.0
285.07883	2.3
285.11136	33.8
286.11459	2.0
289.25250	1.5
296.10339	2.9
297.11121	3.7
298.11148	1.4
299.09201	2.9
299.12698	4.3
300.09610	1.5
301.10800	1.3
302.11484	2.8
307.26263	3.3
311.12683	8.2
313.10602	2.2
315.08517	3.2
315.12167	17.8
317.13821	26.0
329.13712	3.1
331.15067	6.1
343.11819	1.7
343.15387	14.2
361.12228	9.3
361.16678	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	361.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.9
51.02398	1.0
53.03936	2.4
53.10107	0.9
55.01867	2.5
55.05485	2.0
56.76723	0.8
57.03415	0.9
57.07040	0.8
65.03925	1.8
67.05482	5.0
69.03415	2.1
69.07055	5.2
71.04982	2.2
71.62264	1.4
72.13120	0.8
77.03926	1.2
78.04713	1.5
79.05479	14.6
81.03390	4.0
81.07037	14.5
83.04961	2.0
83.08598	1.3
85.02911	1.4
85.06527	3.6
91.05467	25.9
93.07027	19.0
94.04189	1.2
95.04955	10.2
95.08585	8.1
97.06548	1.2
99.04477	1.0
99.08090	1.7
103.05447	13.1
105.07014	15.5
106.04185	1.4
107.04935	36.1
107.08576	6.3
109.02860	6.3
109.06496	2.9
109.10146	7.0
110.03654	1.2
111.04430	2.5
111.08079	3.0
112.99982	2.6
115.05426	4.4
117.06985	5.2
118.04140	2.0
119.04931	8.8
119.08562	4.2
120.05717	3.0
121.06483	22.8
121.10119	4.6
122.03633	1.8
123.04412	6.6
123.08073	1.5
123.11700	5.4
124.05186	5.0
125.05958	4.3
128.06198	6.7
129.06982	26.0
131.04892	10.7
131.08549	12.1
132.05734	0.9
133.02863	2.8
133.06483	5.5
133.10161	2.5
134.03621	1.7
135.04414	3.5
135.08037	6.4
135.11710	3.8
136.05179	1.3
137.05957	24.1
137.13255	1.8
138.06781	1.7
139.11182	1.4
140.04649	1.3
140.80670	1.0
141.06967	1.3
143.04915	1.6
144.05705	1.6
145.06451	6.8
145.10135	1.1
146.03654	1.7
146.07224	4.6
147.04369	7.5
147.08052	3.8
147.11700	1.7
148.05176	4.3
149.05951	8.3
149.13243	2.9
150.06741	1.7
151.03867	4.8
151.07521	21.8
152.04691	3.6
152.06099	1.5
153.01807	1.3
153.05441	14.1
153.06812	1.6
153.12682	1.2
154.07700	1.2
155.07043	3.5
155.08467	1.4
156.05681	2.2
157.06471	20.9
158.07228	1.4
159.04430	1.0
159.08070	2.7
160.05225	2.3
160.08833	1.1
161.05952	63.4
161.09589	14.7
161.13290	1.9
162.06599	1.8
163.03857	1.7
163.07515	22.1
163.14835	1.7
165.05484	2.8
165.06996	9.1
165.09088	10.3
165.12756	1.2
166.06262	10.4
166.07753	2.7
167.07027	72.8
167.08524	5.6
168.07437	1.6
169.02643	1.2
169.06445	1.3
169.10100	1.3
171.08054	2.1
173.05885	1.9
174.06741	12.6
175.07518	9.2
177.05551	1.8
177.07018	3.2
177.09088	10.1
177.16600	1.1
178.07777	2.6
179.07028	6.6
179.08568	5.3
179.10718	1.2
180.05643	2.0
180.07794	1.2
180.16345	1.1
181.05058	3.2
181.06674	3.8
181.08563	100.0
182.07271	6.9
182.08961	3.1
183.08099	2.0
187.07565	2.2
189.09076	97.3
190.07935	1.6
190.09506	2.9
191.07051	1.3
191.08594	4.1
191.10663	2.9
193.06514	4.5
193.08601	2.3
193.10205	1.6
194.07240	4.9
195.08044	11.7
195.10036	1.5
196.08768	1.6
197.06026	2.5
197.09589	9.0
198.06688	1.4
198.09795	0.9
199.07562	3.2
199.15276	1.2
203.10683	2.3
203.17938	1.0
205.06534	2.1
205.08461	1.3
205.10228	1.0
207.08093	5.5
207.10085	31.7
208.05269	1.4
208.08899	4.1
208.10545	1.8
209.05962	2.7
209.09615	2.1
210.06726	6.0
211.07492	6.8
212.08298	3.2
213.09094	2.1
215.10657	1.1
218.07205	1.3
219.08054	7.3
219.10201	2.5
221.05949	5.6
221.09601	2.1
222.06718	4.2
223.07552	8.3
223.11069	4.7
224.08287	2.7
225.05486	2.5
225.09048	17.0
225.11067	1.1
226.06242	1.2
226.09644	1.3
227.07076	5.6
227.10672	3.3
229.12279	2.7
233.09558	1.7
235.07529	3.7
236.04645	1.5
236.08307	4.4
237.05614	1.1
237.09061	6.1
238.06300	2.0
239.07001	6.0
239.10635	3.2
239.19858	0.9
240.07726	6.7
241.08525	4.3
242.05420	1.1
242.09430	3.4
245.12889	1.3
247.07571	3.5
248.08392	1.2
249.09161	1.0
250.06314	1.3
251.07016	4.1
251.10669	8.5
252.07690	1.9
252.11282	1.1
253.08553	16.5
254.09328	2.4
255.06548	4.4
255.10056	7.0
257.08105	2.3
257.11688	15.5
261.09222	1.0
264.07733	2.0
265.08591	3.2
267.06516	2.0
267.10220	4.3
268.07239	2.0
268.10794	1.2
269.08292	2.3
269.11728	1.9
270.08847	5.6
271.09833	1.9
271.13354	2.6
271.24179	1.0
279.10150	6.8
280.10764	1.0
281.08127	1.9
282.08850	1.4
283.09674	14.8
283.13272	10.0
285.07730	2.4
285.11142	36.5
286.11676	2.3
287.12894	2.3
289.14554	1.1
289.25305	1.6
293.12036	1.4
296.10464	3.0
297.11288	3.9
299.09152	3.3
299.12839	5.5
300.09967	1.5
302.11447	5.0
303.12427	0.9
305.13898	1.3
307.26254	1.7
311.12729	9.9
312.13327	1.2
313.10400	0.9
315.12204	22.5
316.12662	1.5
317.13794	29.2
317.17554	1.6
319.88751	0.9
328.13058	1.0
329.14029	5.9
330.14297	0.9
331.15417	6.5
343.15289	14.7
343.18979	1.0
361.16498	30.8
361.20981	2.3
362.16821	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.5
55.01867	22.6
55.05260	5.6
55.05502	68.3
57.03418	14.9
59.04742	4.5
59.04996	55.5
65.03897	4.3
67.05164	6.6
67.05494	81.0
67.51842	3.6
69.03413	45.2
69.07054	91.0
70.03736	3.8
70.07317	6.0
70.38715	3.8
71.04984	60.8
71.62366	5.3
73.02892	20.9
79.05473	67.0
81.03412	31.8
81.07042	57.0
82.07376	5.0
83.04965	14.0
83.08602	36.0
85.02891	100.0
85.06525	11.9
91.05450	35.4
93.07020	40.7
95.04974	32.8
95.08582	28.5
97.02879	39.7
97.06511	58.1
97.10164	54.1
99.04427	13.0
105.07020	29.0
107.04932	14.3
107.08567	38.1
109.02840	7.6
109.06488	18.1
109.10119	22.3
111.08046	7.2
115.07540	42.6
117.07022	9.3
119.08593	23.4
121.06447	7.3
121.10126	21.4
123.08027	6.5
123.11579	4.3
125.05906	4.5
125.09595	51.0
127.03890	91.5
129.06969	5.8
131.08528	14.6
133.10098	13.3
135.08055	9.9
135.11673	9.6
137.05939	13.1
137.09633	8.5
143.08583	5.6
145.04939	68.1
145.10078	11.2
147.08022	4.7
147.11659	10.2
149.09503	4.4
153.09074	5.6
153.12701	5.7
157.10062	6.1
159.11725	9.8
161.13260	5.0
163.05997	14.9
163.07373	6.8
163.11151	6.2
167.06998	7.8
170.18271	4.6
173.11702	11.5
177.12822	6.8
180.08592	6.5
181.08516	9.0
189.09077	7.2
189.11195	23.5
205.12025	3.7
223.13223	14.6
237.14807	9.6
249.14987	5.3
267.13208	4.3
273.18494	9.1
275.20053	5.1
325.20087	10.7
360.15045	9.4
360.23233	5.5
361.23859	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1639
Annotation	Lariciresinol
Peak:m/z	Relative Intensity
53.03941	5.2
53.57462	1.5
55.01867	4.2
55.05505	2.2
56.89159	1.4
60.52119	1.9
64.32323	1.6
67.05492	2.9
69.03416	5.6
69.07061	4.2
70.39224	4.2
71.04967	2.1
77.03937	1.9
79.05484	14.8
81.03413	18.9
81.07043	14.6
83.04978	4.7
83.08611	1.8
85.02898	1.9
85.06537	3.5
88.91687	1.3
89.54642	1.5
91.05469	22.4
93.07020	19.3
95.04964	8.5
95.08596	4.7
97.06528	2.8
97.68942	1.6
99.08050	3.4
103.05447	9.9
105.07014	20.7
107.04943	34.1
107.08593	4.7
109.02863	50.6
109.06509	5.0
109.10140	3.5
111.04405	3.1
111.08107	1.5
115.05422	6.1
117.07006	5.1
119.04938	8.2
119.08563	3.5
120.05659	2.5
121.06490	23.2
121.10136	2.8
122.03616	2.6
123.04369	8.1
123.11697	2.2
124.05203	2.2
125.05966	4.6
127.03874	2.2
128.06197	7.4
129.06981	21.0
131.04886	9.2
131.08536	9.5
132.05707	1.7
133.02835	2.1
133.06468	10.2
133.10092	2.4
133.87280	1.5
135.04411	3.9
135.08055	7.6
135.11632	2.5
137.05956	23.4
137.09608	2.3
138.06796	2.8
139.07486	2.2
141.07025	2.7
143.08534	4.1
145.06409	8.0
145.10075	3.9
146.07236	3.3
147.04379	6.0
147.08055	2.1
147.11700	4.3
148.05164	5.0
149.05951	5.6
151.03941	4.2
151.07524	18.6
152.04659	4.1
153.05463	12.4
153.06662	2.3
153.12711	1.9
155.08585	2.0
157.06485	16.3
157.10103	2.7
159.08012	4.0
159.11646	2.1
161.05959	36.4
161.09608	11.9
163.07518	49.0
165.05513	3.9
165.06990	8.2
165.09076	8.1
165.12654	2.9
166.06232	7.2
166.07617	2.7
167.07040	76.3
167.08545	8.1
169.06485	2.5
169.10129	3.8
171.08060	3.8
171.11696	2.4
173.05902	3.7
174.06750	10.6
175.07530	7.8
175.11055	3.9
177.09105	10.0
179.07014	4.7
179.08545	5.6
180.07761	2.3
181.05055	3.1
181.08571	100.0
182.07254	7.5
182.08823	3.6
183.08224	1.9
187.07552	3.3
187.11102	2.2
189.09085	90.2
189.12685	3.2
190.07794	2.1
190.09618	2.0
191.06982	2.8
191.08572	4.4
191.10637	4.5
193.06743	3.5
193.08585	18.9
194.07280	5.4
195.08005	11.4
197.09579	10.9
199.07494	2.7
199.11258	3.3
201.09138	2.7
203.10692	2.8
205.08461	2.4
207.08215	3.7
207.10106	22.4
208.05106	2.6
208.08810	3.2
209.06012	3.6
210.06740	5.2
211.07483	4.8
215.10707	4.5
217.12228	6.0
219.08092	4.4
221.05959	3.6
223.07494	6.6
223.11104	3.9
224.08234	2.4
225.05531	2.2
225.09039	14.5
227.07039	5.1
229.08479	1.8
229.12088	3.2
235.07655	2.7
235.13258	2.3
236.08353	3.8
237.09137	2.1
239.07034	2.7
239.10661	2.0
240.07880	3.7
241.08591	3.6
242.09189	2.5
247.07518	3.6
251.07007	3.8
251.10652	5.6
253.08571	12.2
254.09152	2.2
255.06470	3.6
255.10156	5.1
257.11649	16.5
265.08557	2.3
267.10114	4.1
268.07236	3.6
269.08240	2.0
270.08783	4.7
271.13339	2.8
273.14758	2.1
279.10144	3.6
280.10675	2.3
281.08179	2.9
283.09653	10.6
283.13229	11.0
285.07956	2.2
285.11166	37.6
286.11740	2.3
287.12759	2.1
296.10422	2.5
297.11172	5.4
297.14624	2.5
299.09152	3.7
299.12720	4.6
301.14389	4.2
302.11313	4.1
305.13773	2.2
311.12723	9.8
315.12210	21.1
315.15677	3.2
317.13797	26.3
325.14108	2.7
329.13925	2.2
331.15405	5.2
343.15271	15.6
361.16541	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11922	1.1
55.01644	1.2
55.01869	11.2
57.03431	10.7
61.02911	4.7
62.06072	2.7
69.03420	36.8
71.04970	1.9
71.21793	3.3
73.02923	5.8
81.03396	5.1
81.36208	1.1
83.65591	1.1
85.02895	100.0
86.03228	1.9
89.03367	1.1
89.03898	2.1
94.22691	1.1
97.02267	2.4
97.02878	36.7
97.68023	1.3
97.68701	1.3
99.04438	7.6
101.02354	7.3
103.03909	1.5
109.02897	7.2
115.03912	4.5
119.01904	2.3
119.30569	1.4
127.03897	75.6
135.04366	1.4
145.04941	63.9
146.05296	1.8
155.02681	1.4
163.03909	7.4
163.05995	20.0
169.03532	1.3
180.08603	4.0
185.03023	1.8
187.04428	2.1
197.03006	1.2
198.07523	1.4
198.09593	2.4
208.09734	1.4
275.06064	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	360.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98259	0.6
53.03921	0.6
53.85194	0.6
55.01859	0.8
57.03411	1.1
60.04515	0.6
67.05466	0.7
68.99760	0.8
69.03400	1.7
70.06564	2.7
70.92362	1.2
70.92715	1.0
72.08141	0.6
79.05464	1.3
81.03380	1.4
81.07026	1.2
83.01327	1.0
84.04451	1.7
85.02885	3.4
86.09666	2.0
87.04451	0.6
91.05442	1.8
94.02943	0.6
95.04931	2.5
95.08587	1.0
97.02897	5.2
99.04433	1.1
103.05465	1.2
105.03387	0.6
105.06985	1.0
107.04926	1.8
107.08562	0.6
109.02851	3.0
109.06526	0.7
112.03953	8.8
113.06000	0.7
116.06999	0.5
117.06992	2.9
119.04916	2.9
121.06453	3.4
123.04415	22.5
125.05945	0.8
127.03924	3.9
131.04919	3.7
135.04437	2.9
135.08060	3.9
136.07558	2.2
137.05951	2.3
139.03909	1.0
140.03415	32.2
145.04878	1.0
145.06476	3.0
147.04388	10.4
149.05966	3.2
151.03854	2.5
157.06409	0.9
161.05960	2.0
163.03893	2.2
163.07535	14.4
165.05482	4.9
167.06995	1.1
173.05934	6.9
175.07530	0.9
179.06963	4.1
180.10083	0.7
181.04909	1.1
181.08531	1.4
185.06038	0.9
187.07489	0.9
189.05374	0.8
189.39873	0.6
190.08626	13.2
191.07008	63.2
198.08459	0.8
198.11227	0.8
203.06857	2.9
208.09665	100.0
209.09935	0.9
220.09677	1.7
248.05728	0.8
266.06564	9.4
325.10596	4.2
342.13361	3.2
343.11841	5.8
360.14389	49.4
361.14499	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.6
55.01849	0.7
55.05474	0.6
58.73075	0.5
61.02916	0.8
68.04978	0.5
69.03413	1.2
71.53991	1.2
79.05458	0.9
85.02895	4.1
91.05436	0.6
91.75403	0.6
93.07021	0.9
95.04971	0.6
97.02863	1.1
105.07006	1.3
107.05022	0.8
107.08577	2.1
108.08912	1.8
109.02847	0.8
121.02848	2.0
121.06477	0.6
121.32693	0.5
127.03928	0.9
133.02829	2.4
133.06447	0.8
133.10101	1.2
134.10429	1.0
135.04367	1.7
137.05971	1.3
137.30699	0.5
145.04904	1.3
149.02318	100.0
150.02658	2.0
152.11499	0.7
153.75043	0.5
160.03142	0.6
161.06046	0.6
163.03879	67.8
163.07460	3.1
164.04234	1.6
167.03304	1.2
167.06972	1.2
167.10718	1.0
168.11121	1.0
179.10585	1.2
180.08609	1.1
180.11029	1.7
181.04922	34.7
189.09097	0.9
193.08612	1.0
197.11647	5.2
198.12068	9.1
296.69327	0.5
361.14709	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06701	0.5
55.01862	1.5
55.05497	0.7
57.03406	1.8
59.55875	0.5
60.04512	0.5
67.05481	1.1
68.99766	1.3
69.03405	2.2
70.06595	3.3
70.74715	1.2
70.75047	1.2
72.08124	2.1
73.02909	0.7
79.05467	1.8
81.03393	1.6
81.07024	2.0
83.01321	1.2
84.04466	1.8
85.02902	4.8
86.09704	2.7
91.05463	1.7
93.07018	1.6
95.04961	3.6
95.08605	1.1
96.08084	0.5
97.02866	3.5
99.04455	0.8
103.05435	0.7
105.07003	2.1
107.04919	2.0
107.08575	0.8
109.02822	1.7
112.03954	3.4
115.05445	1.4
116.07059	0.6
117.07002	3.0
119.04932	2.2
121.06487	4.0
123.04411	24.7
124.07594	1.2
127.03886	4.7
131.04898	1.1
135.04395	2.5
135.08015	4.2
136.07516	1.9
137.05962	2.2
139.03801	1.2
140.03407	12.1
145.04942	1.4
145.06450	3.0
147.04390	10.2
148.05086	0.7
149.05969	2.7
151.03828	1.8
153.05475	0.7
157.06511	0.6
161.05888	1.4
162.09106	0.6
163.03860	2.6
163.06110	1.2
163.07507	16.7
165.05453	4.9
167.07045	1.6
173.05963	6.7
175.07524	1.0
179.07047	5.1
180.10117	1.0
181.04987	0.8
181.08557	1.4
185.05954	0.9
187.07526	0.8
190.08597	13.1
191.07002	62.0
192.07315	1.1
195.08145	0.7
198.11276	1.7
203.06993	2.4
208.09657	100.0
209.10007	1.4
220.09657	1.4
223.07599	0.8
237.05305	0.6
266.06454	3.6
307.09586	0.6
314.10205	0.8
325.10699	5.3
342.13345	3.7
343.11658	5.0
360.14355	45.7
361.14508	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01848	1.2
55.05482	0.6
57.03413	1.7
57.07060	0.5
57.73570	0.4
59.04990	0.6
61.02907	2.3
64.53093	0.4
67.05480	1.3
69.03419	5.9
70.06563	1.0
70.47328	0.4
71.04958	1.9
71.61722	0.8
73.02907	0.8
73.96452	0.4
79.05471	1.7
81.03407	2.7
81.07026	1.8
82.52736	0.4
83.04946	1.3
85.02889	22.0
85.06512	1.9
86.09734	0.4
87.04475	0.5
91.03912	1.2
91.05451	3.3
93.07027	5.8
95.04945	2.3
95.08589	1.1
97.02869	5.4
99.04420	1.4
102.71226	0.4
103.05439	0.7
105.07009	5.6
107.04950	1.4
107.08571	18.6
109.02880	2.1
109.06490	1.9
109.10116	2.0
111.04426	0.9
114.22385	0.5
117.05438	0.6
117.06963	0.6
119.04858	0.5
119.08572	2.0
121.02877	2.1
121.06467	2.4
122.90096	0.4
123.04385	1.2
123.08036	1.0
123.11662	1.3
127.03906	3.7
131.04941	0.6
131.08505	0.5
133.02829	1.0
133.09091	0.9
133.10103	18.0
134.10402	0.6
135.08031	1.1
135.11664	17.4
136.11963	0.9
137.05920	3.0
137.09598	1.7
143.08551	0.7
145.04922	3.1
147.04387	1.1
149.05885	0.9
151.07513	1.0
151.11176	2.2
153.05429	1.0
153.09135	0.5
161.05943	0.6
161.09578	10.6
163.07513	2.0
177.05434	0.6
178.75871	0.4
179.07114	1.5
179.10637	32.5
180.10971	1.2
181.08499	1.1
197.11693	100.0
198.02170	0.8
198.12050	3.4
281.07898	0.4
327.12204	1.2
341.13794	1.0
359.16360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1693
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
52.39621	0.6
55.01856	0.8
55.05488	0.6
57.03411	0.7
61.02906	1.2
67.05485	0.9
69.03431	2.7
69.07037	1.1
69.74059	3.0
69.74474	1.0
79.05454	1.7
81.03386	0.8
81.07055	4.0
85.02891	8.0
85.06513	1.1
91.05464	2.2
93.07022	5.4
95.04922	0.7
95.08574	1.7
97.02896	2.7
97.06540	0.9
105.07014	7.7
107.04925	1.1
107.08573	27.6
109.02866	1.4
109.06457	0.9
109.10107	1.6
117.42751	0.6
119.08574	4.5
121.06477	1.3
121.10117	5.6
123.08017	0.8
123.11684	1.0
127.03930	1.2
131.08604	0.8
132.05804	0.6
133.10110	17.2
135.11673	0.8
137.05949	2.2
139.07466	1.1
143.08510	0.8
145.04915	0.8
149.05954	0.8
149.09555	3.3
151.03838	1.0
151.07495	0.9
151.11156	6.2
153.05537	0.9
161.09589	5.1
167.07095	1.1
167.10645	12.6
179.10637	15.4
185.07085	2.4
197.11700	100.0
198.12093	3.1
213.06538	1.4
229.47179	0.6
237.12726	0.6
247.68593	0.6
297.11169	0.7
305.49878	0.6
327.12134	0.6
338.66226	0.6
341.13882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01856	0.6
55.05477	0.4
57.02074	0.3
57.03417	1.0
58.31144	0.4
61.02919	1.5
65.03923	0.3
67.05486	1.0
69.03127	0.3
69.03423	3.6
69.07055	0.5
69.71953	0.3
70.06571	0.8
71.04978	1.0
71.06376	0.8
73.02905	0.8
79.05476	1.1
81.03399	1.2
81.07045	1.9
83.04945	0.6
85.02893	9.1
85.06518	0.6
86.09672	0.7
87.04425	0.6
91.03931	0.5
91.05463	2.6
93.07030	5.4
95.04940	0.7
95.08585	1.7
97.02883	2.8
97.06526	0.5
99.04428	0.9
102.50436	0.3
103.05454	0.6
105.07021	6.0
105.08920	0.3
107.04941	0.7
107.08579	29.5
108.08916	0.7
109.02863	1.1
109.06500	0.9
109.10135	1.4
113.05997	0.3
119.04952	0.5
119.08558	5.2
121.06473	1.1
121.10138	5.2
123.04425	0.3
123.08024	0.4
123.11671	0.9
125.09622	0.8
127.03883	1.9
128.06206	0.4
131.04924	0.6
131.08522	0.4
133.06491	0.4
133.10112	15.4
134.10481	0.5
135.11722	0.6
137.05948	2.3
137.09602	0.4
139.07588	1.5
143.08530	0.9
145.04919	1.1
147.04372	0.7
149.02330	7.3
149.09596	3.1
151.03792	0.3
151.07536	1.9
151.11163	7.1
153.05473	0.6
161.05968	0.8
161.09598	5.2
162.06715	0.7
163.03882	4.5
163.07495	0.6
167.07063	0.6
167.10655	12.1
175.07521	0.4
177.05417	0.5
179.07112	0.6
179.10641	15.2
180.10971	0.5
181.04941	2.6
196.06865	0.3
197.11705	100.0
198.12056	3.1
207.07880	0.4
222.37608	0.3
313.10806	0.3
327.12302	0.7
341.13788	0.6
359.15894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1482
Annotation	4,6,4'-Trihydroxy-2,3'-dimethoxy-3-prenylbenzophenone
Peak:m/z	Relative Intensity
53.03933	0.3
55.01864	0.6
55.05479	0.9
65.03928	0.6
67.05480	1.0
69.03427	0.3
69.07034	0.5
70.27982	0.6
71.01330	0.2
75.03461	0.2
79.05479	0.5
81.03406	0.5
81.07037	1.7
83.04951	0.3
83.08576	0.3
85.02876	0.5
85.06560	0.3
91.05470	0.8
93.07033	0.8
95.04963	1.0
95.08592	1.0
97.06491	0.3
105.07012	0.8
107.04963	0.3
107.08581	0.8
108.02071	0.9
109.02859	0.9
109.06521	0.2
109.10155	0.7
111.04408	0.4
111.08075	0.2
119.04897	0.3
119.08572	0.6
121.06471	0.3
121.10128	0.8
122.03584	0.2
123.08028	0.3
128.06168	0.3
129.07010	1.4
131.04897	0.7
131.08533	0.9
135.08041	0.3
135.11697	0.2
136.01466	0.4
137.04988	0.4
137.05959	4.5
137.13242	0.3
141.05450	2.1
145.06480	0.4
145.10123	0.3
147.04366	0.7
147.07999	0.8
147.11635	0.3
149.05995	0.4
151.03880	100.0
151.04933	5.3
151.83171	0.3
152.04247	1.5
153.05429	0.3
155.14212	0.2
157.06470	1.3
159.08063	1.5
159.11647	0.3
161.05946	0.5
161.09601	0.4
163.07533	0.3
165.05515	0.4
167.07060	0.6
174.06772	0.4
175.07613	1.2
179.10643	1.5
183.67862	0.2
189.09068	1.6
191.10535	0.4
192.07704	0.2
201.16373	0.2
203.06935	0.4
207.10107	0.5
212.08366	0.2
217.08591	2.6
221.09631	0.5
223.07468	0.3
225.09071	0.3
235.09612	53.3
236.09879	1.1
239.06975	0.3
240.07686	0.3
249.09016	0.3
253.08536	0.6
253.12276	0.3
257.86105	0.2
267.09879	0.2
281.08093	0.3
281.11725	0.5
283.09634	0.9
284.10065	0.3
291.10129	0.3
295.09601	0.3
297.11099	0.5
298.11905	0.5
299.12750	0.3
305.24631	0.4
311.09085	0.4
313.10666	1.0
313.14401	1.0
326.11438	0.5
327.12198	0.5
341.13840	1.4
359.10583	0.6
359.14838	8.5
359.21738	0.4
359.25723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1484
Annotation	Negundin B
Peak:m/z	Relative Intensity
55.01865	1.8
55.05505	1.5
56.74286	0.8
61.64249	0.7
64.85287	1.0
65.03937	4.4
65.87149	0.8
67.05479	3.8
69.03413	1.9
69.07051	2.1
70.82735	2.4
71.04987	0.9
79.05462	3.4
81.03402	3.3
81.07050	6.0
82.04195	1.4
83.04948	1.0
83.08599	0.8
85.02886	3.4
85.06570	1.1
87.32278	0.7
91.05478	4.3
93.03391	1.6
93.07031	2.6
95.04945	2.6
95.08578	5.2
97.02877	1.4
97.06501	1.8
103.05441	1.6
105.07006	3.6
107.04922	3.5
107.08598	2.3
109.02877	5.0
109.06502	1.1
109.10172	2.3
110.03648	2.9
111.04430	2.9
115.05452	1.3
117.06984	2.3
119.04888	1.1
119.08546	2.3
121.02831	7.8
121.06473	2.5
121.10120	2.4
123.04408	1.5
123.11723	1.7
125.05976	4.3
127.03919	1.1
128.06212	0.8
129.06972	1.5
131.04910	3.8
131.08559	1.2
133.02831	0.9
133.06482	1.4
133.10098	1.9
135.04401	0.9
135.08041	3.2
137.05977	6.8
144.05670	2.4
145.06461	2.1
145.10106	1.5
146.07248	0.9
147.04369	1.3
147.07999	1.3
147.11742	1.3
149.02322	2.5
149.05888	2.0
151.03920	3.3
152.06233	1.0
153.05426	3.5
153.06798	1.2
158.07346	0.8
159.08078	5.4
160.05098	0.9
161.05962	3.7
161.09628	2.8
161.13297	0.9
162.06555	1.1
163.07582	1.3
165.05663	0.9
165.06958	3.8
166.07707	1.0
167.07024	8.1
167.08560	3.4
169.06448	1.6
171.06540	1.8
171.08015	2.1
171.11630	1.0
173.05995	0.9
175.07518	2.5
177.06982	1.3
177.09096	1.0
178.07774	2.9
179.08537	2.5
180.05600	0.9
181.04933	22.5
181.06487	5.2
181.10033	0.9
182.07277	2.3
183.08023	2.0
187.07524	2.0
189.07068	0.8
190.07762	0.8
191.06926	1.1
191.08498	2.1
193.06548	1.4
193.08517	1.1
194.07243	2.4
195.08049	9.5
196.08774	1.6
197.06030	3.9
197.09578	2.6
199.07480	1.9
199.11215	0.9
201.09013	1.0
202.07765	1.6
203.08559	1.2
205.06502	2.1
205.08496	1.3
206.07257	3.3
207.08008	4.5
208.08771	1.3
209.06012	2.2
209.09615	3.3
210.06779	4.0
210.10391	2.2
211.07462	5.9
212.08275	4.4
213.08937	2.1
219.07999	2.7
220.05426	0.9
220.08841	1.7
221.05981	1.3
221.09605	8.7
222.06725	3.5
222.10338	2.7
223.07507	8.9
224.08295	5.3
225.05499	1.6
225.09108	5.5
227.07001	6.2
227.10664	3.5
229.08580	1.0
234.06729	1.9
235.07489	3.3
235.09480	1.0
236.04584	1.1
236.08157	0.9
237.05446	1.8
237.09035	7.8
238.06178	3.0
238.09769	8.4
239.06987	6.0
239.10597	2.2
240.07742	12.2
241.08583	3.2
242.05748	1.7
243.10159	1.1
248.08081	1.3
249.05521	1.0
249.09056	8.1
250.09821	2.5
251.07063	7.4
251.10625	2.0
252.07793	6.1
253.05867	1.6
253.08582	21.7
253.12192	8.6
254.09277	2.4
255.06541	7.3
255.10112	7.0
256.07150	1.3
257.08069	8.3
263.07068	1.1
265.08566	6.6
266.05756	0.8
266.09302	5.6
267.06467	2.9
267.10168	8.0
268.07355	5.0
269.08005	11.9
269.11047	1.2
270.08804	4.2
271.09552	1.4
272.10406	1.6
277.08517	1.6
279.06680	1.0
279.09955	1.3
280.07193	1.2
281.08096	7.6
281.11691	10.2
282.08850	1.6
282.12289	1.2
283.06042	3.9
283.09625	16.8
284.06812	1.1
284.10349	3.0
285.07541	3.9
285.11194	2.9
291.10150	1.5
293.08099	0.9
294.08710	1.3
295.09598	4.2
297.07541	6.8
297.10925	1.7
298.08325	11.0
298.12012	3.0
299.09561	0.9
299.12711	5.2
300.09854	19.6
301.10846	1.3
309.11203	6.1
310.11786	2.4
311.09036	2.5
312.09564	0.9
313.10660	82.5
313.14313	47.7
314.10947	1.9
314.14496	1.6
323.12674	1.4
325.10709	1.0
326.11465	6.4
327.08380	1.5
327.12225	26.4
328.12769	3.0
329.13196	1.0
331.15359	18.4
341.13791	38.1
342.13986	1.3
359.14832	100.0
360.15051	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	358.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.4
56.09071	0.2
57.07070	6.2
58.06573	0.7
62.06065	0.4
62.35500	0.2
69.07040	0.4
70.04628	0.8
70.06582	10.9
71.06931	0.3
71.08271	0.2
71.08624	2.9
74.06051	0.2
75.50159	0.2
79.05485	0.2
81.07048	0.4
83.08627	0.2
85.10190	1.1
86.06005	0.2
88.07619	13.7
92.85375	0.2
93.07029	0.3
95.08588	0.4
98.21408	0.3
102.09167	3.8
105.07031	0.3
106.08652	7.7
107.08604	0.3
109.10102	0.3
119.08612	0.2
121.10136	0.5
123.11720	0.3
135.11607	0.2
145.10103	0.3
149.13191	0.2
163.14763	0.2
197.11671	0.4
314.33966	0.4
340.35696	6.8
341.35922	0.5
358.36731	100.0
359.07608	0.7
359.30072	0.3
359.37070	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	359.0754
Annotation	3,7-Dihydroxy-5,6-dimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.54535	0.2
50.61351	0.2
54.71551	0.2
54.74960	0.2
69.56960	0.7
69.57386	1.3
78.77116	0.2
96.54884	0.2
98.21498	0.2
107.53568	0.2
113.80349	0.2
113.87637	0.2
117.06962	0.4
119.08450	0.4
131.04913	0.2
141.06982	0.3
145.06464	0.3
147.73804	0.3
150.49100	0.2
155.04909	1.2
157.06422	0.6
160.05241	0.2
161.05933	0.4
169.06458	0.4
171.04369	0.6
173.05977	0.7
183.04364	1.0
184.05165	0.4
185.05931	0.9
194.68333	0.2
198.03082	0.6
199.03886	0.9
201.05437	0.8
202.02596	0.4
203.03578	0.2
211.03886	0.9
213.01872	0.4
213.05409	2.0
214.02676	0.3
215.03368	0.4
217.04950	1.0
226.02621	0.7
226.06258	0.3
227.03305	2.0
228.03952	0.3
229.04845	1.7
230.02057	0.7
239.03441	0.7
241.01265	2.2
241.04892	1.2
242.02037	0.8
242.05734	0.5
243.02969	0.4
245.04503	1.8
253.01370	0.4
254.02014	0.6
255.02869	2.1
256.03546	0.5
257.04367	3.3
258.01630	0.6
259.02313	0.5
267.02832	0.6
269.00729	2.7
270.01480	3.3
271.02341	1.5
271.05554	0.3
272.02985	0.3
273.03873	3.5
283.02344	1.9
284.03055	2.5
285.03888	8.7
286.01059	7.9
286.04047	0.3
286.98837	0.3
287.01782	1.1
287.05072	0.3
288.06326	0.4
297.00162	1.2
298.01270	0.3
298.04639	0.6
299.01840	1.1
299.05466	3.2
300.02600	1.3
300.06247	1.5
301.03387	6.9
303.04938	0.7
311.01834	0.6
312.02615	0.7
313.03372	10.3
313.10800	0.3
314.00525	0.5
314.03964	0.6
315.04892	2.7
316.05563	0.4
326.04092	1.8
327.01367	0.3
327.04886	0.9
328.05719	18.2
329.02859	15.1
329.05914	0.8
330.03577	1.3
343.01025	0.2
343.04422	5.2
344.05219	29.3
345.05322	1.2
359.07553	100.0
360.07904	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	358.1492
Annotation	Bakankoside
Peak:m/z	Relative Intensity
50.79543	0.4
55.01862	0.6
55.05480	0.5
56.96542	2.1
57.03417	2.0
61.02901	1.7
63.85460	0.4
67.61502	0.6
69.03424	4.1
69.71734	1.8
69.72145	1.2
70.06572	0.6
71.04967	1.0
72.49670	0.5
73.02911	1.3
76.07607	0.5
79.01799	0.6
79.05466	0.5
81.03401	2.0
83.04953	1.2
84.08103	0.9
85.02501	0.6
85.02896	6.4
86.09678	0.8
87.04446	1.3
91.03947	0.7
91.05462	1.3
94.06523	0.7
95.04959	0.4
97.02882	4.5
98.97567	3.5
99.04454	0.7
101.00864	0.8
105.06998	1.7
106.68026	0.5
108.08092	4.1
109.02850	0.9
110.97547	0.6
111.04446	0.8
114.05535	0.7
115.03984	0.5
115.05421	0.7
116.98589	2.4
117.05730	2.0
118.06522	0.5
119.01896	3.1
122.05975	0.9
123.06779	3.4
124.07541	1.2
127.03886	2.4
127.28219	0.4
127.88444	0.5
128.98596	0.6
130.06479	0.9
131.01862	1.3
132.08067	5.4
133.03455	0.9
133.05254	0.5
134.06003	3.4
134.99591	0.8
136.07559	9.7
137.08307	0.4
138.05466	1.3
139.03883	0.5
143.00163	0.7
143.01868	1.0
145.03447	1.5
145.04939	1.4
147.06721	1.9
148.07549	10.4
149.08241	0.9
150.05495	1.1
150.09109	9.3
152.07040	7.2
153.01785	4.2
153.07748	0.7
155.01851	1.4
157.03410	1.2
160.07559	27.5
161.02936	2.0
161.07921	0.8
162.05460	0.6
164.07054	0.8
165.07484	0.7
166.08618	3.4
169.03439	0.6
170.08133	0.5
173.02907	1.6
175.04584	0.8
176.07089	0.5
177.00847	1.3
178.08607	57.9
179.09100	0.7
185.02927	0.7
189.06178	0.7
190.05605	0.5
195.56490	0.8
196.09665	100.0
196.54724	1.1
197.02888	0.9
197.09966	2.0
203.03983	0.9
205.55591	0.5
214.03770	1.0
219.01889	1.5
221.01683	0.7
221.04915	3.1
226.08322	0.6
232.96411	0.8
237.02707	1.6
239.07613	1.0
245.05092	5.6
251.07268	0.6
257.08755	0.6
259.06668	0.6
261.02939	1.0
263.06216	0.7
268.56589	0.9
273.02902	0.6
277.03534	0.8
277.07739	0.5
277.57404	0.6
291.08911	0.8
292.98288	0.6
303.01437	1.4
314.12387	0.8
316.08615	0.9
317.07626	0.5
321.10129	0.5
322.10623	0.8
339.93576	0.5
340.12885	1.4
358.10120	2.2
358.14893	50.0
359.10529	0.6
359.14716	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	356.3517
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
55.05505	7.5
57.07071	1.5
58.06590	0.4
62.06079	0.3
64.71465	0.2
67.05499	0.3
69.07059	6.5
70.06583	9.9
70.22395	1.0
71.08617	0.8
72.08118	0.2
74.60884	0.2
81.07041	0.4
83.08611	3.0
86.06036	0.4
86.33723	0.2
88.07617	13.9
95.08582	0.3
97.10158	1.0
101.33316	0.2
102.08540	0.3
102.09172	3.7
106.08649	7.9
109.10160	0.3
182.79594	0.2
182.90280	0.2
218.58250	0.2
224.48433	0.2
253.44371	0.2
312.32568	0.5
338.34103	5.5
339.34448	0.3
356.35162	100.0
357.35464	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	357.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	1.8
55.05503	25.8
57.03423	2.6
57.07064	12.1
62.23429	1.6
67.05489	22.3
69.06715	2.4
69.07056	33.2
70.06570	7.0
70.07381	2.0
71.04957	2.6
71.08602	7.0
71.11175	3.7
74.48788	1.4
75.35030	1.6
79.05093	1.7
79.05486	14.4
81.07040	30.3
83.04931	2.0
83.08601	23.2
84.86517	1.4
85.06512	1.6
85.10157	4.9
88.07619	10.1
89.07945	1.6
91.05451	4.1
91.13453	1.4
93.07027	17.5
95.04915	2.3
95.08586	31.0
97.06516	9.3
97.10149	13.8
102.09169	2.4
105.07005	3.7
106.08607	4.9
107.08559	15.4
109.00053	1.5
109.10129	14.8
111.08096	3.6
111.11680	5.9
119.08567	3.8
121.10110	27.1
123.11681	5.6
133.10100	2.2
135.08035	4.6
135.11655	22.7
137.05966	3.3
137.13226	2.3
139.11153	2.1
145.10062	2.4
147.11644	3.9
149.13220	8.5
151.03769	2.1
151.14832	2.4
159.11728	1.7
161.13211	2.5
163.14760	4.5
165.16350	3.7
171.11636	1.7
177.16373	1.9
191.17834	2.2
201.16307	2.4
247.24193	16.9
265.25241	28.7
277.21713	1.7
339.28860	19.4
339.34363	4.9
357.13324	1.9
357.23837	3.1
357.27933	6.6
357.35464	100.0
358.27271	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99065	0.9
55.05498	0.9
56.56402	0.9
57.03434	7.2
57.07048	1.4
59.04985	0.8
61.02892	1.4
63.26668	0.9
67.05507	1.0
69.03419	4.2
69.07050	1.3
69.40654	3.9
69.41084	4.7
71.04988	7.3
71.08618	14.3
81.03407	2.8
81.07040	5.7
83.04990	1.8
84.04486	1.4
85.02892	11.3
85.06544	2.2
86.09710	1.5
87.04456	0.9
91.05441	1.3
93.07022	1.2
95.04937	1.2
95.08575	1.2
97.02874	2.6
97.95721	1.0
99.08070	15.8
99.54087	0.9
105.07016	2.1
107.08596	1.4
109.02852	1.8
109.06489	5.3
115.07545	2.5
117.09108	100.0
118.09455	1.8
123.04456	0.9
127.03903	2.9
127.07542	3.7
137.05945	2.5
137.09633	1.2
141.09085	18.7
145.04921	1.4
145.08601	7.7
151.03912	1.8
153.01808	3.5
159.10149	8.3
159.11449	1.2
159.92786	0.9
163.07513	1.3
166.04831	1.5
167.07062	1.5
175.07439	1.1
177.05540	1.2
177.11192	38.5
178.11458	1.2
194.04492	1.5
202.34079	0.9
203.06953	1.1
204.06517	1.3
223.19868	0.9
247.53107	1.0
311.05368	1.0
339.08832	1.0
357.09558	1.8
357.13492	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	356.191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75656	0.7
57.03429	4.1
59.04995	3.9
61.02912	1.9
69.03416	3.5
69.69233	5.1
71.04984	2.9
71.08623	59.2
72.08938	1.0
73.06523	0.8
76.79715	0.7
79.05474	2.9
81.03415	1.0
81.07047	13.6
83.04964	1.2
85.02892	12.5
85.06521	3.3
91.03939	0.8
97.02885	4.2
99.08080	28.7
107.04886	0.7
107.08561	0.8
109.02831	1.3
109.06503	18.3
115.07529	1.8
117.09115	71.6
124.03924	0.8
126.49245	0.8
127.03902	2.9
127.07533	2.1
137.05960	1.5
141.09084	100.0
142.09441	1.6
145.04930	2.0
145.08556	3.0
151.03896	1.3
153.01807	1.6
159.10146	12.6
177.11198	50.6
178.11533	1.0
204.06676	0.9
303.71030	0.7
357.13339	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03432	15.7
69.03420	1.9
69.76329	3.2
70.06564	0.6
71.04971	0.8
73.04755	0.7
75.04469	0.6
81.03410	1.4
85.02909	4.7
89.06031	1.4
91.04008	0.6
91.05788	1.0
97.02886	1.9
99.04443	24.4
109.02854	0.6
113.05966	0.8
117.05481	19.7
123.48976	0.5
127.03886	2.1
131.07027	100.0
132.07381	1.3
135.04384	0.7
137.05978	1.1
145.04950	1.3
153.01816	1.1
159.06511	15.4
159.52502	0.5
163.03893	2.9
164.04254	2.5
166.04947	0.5
177.07565	24.2
180.08669	1.8
194.10287	1.7
195.48355	0.5
340.61984	0.5
345.21472	0.5
356.15842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87154	0.4
52.78296	0.4
53.03941	0.4
57.03429	36.9
61.02907	0.7
69.03419	1.4
69.53934	2.3
69.54346	0.8
71.04987	0.5
80.66283	0.4
81.03407	0.9
85.02892	5.7
87.22175	0.4
89.06020	1.4
91.19794	0.3
95.08604	0.7
97.02867	2.1
97.06500	0.5
99.04447	7.0
102.87713	0.4
108.04431	0.4
109.02853	0.8
113.09631	0.7
117.05479	16.1
127.03918	1.2
131.07025	100.0
132.07338	1.1
136.07578	0.5
137.05951	1.8
145.04951	1.1
153.01791	1.1
159.06506	7.2
163.03925	0.7
164.04234	1.1
167.06975	0.5
174.99356	0.4
177.07561	24.9
178.07913	0.4
179.03046	0.4
180.08640	2.7
193.04932	1.0
194.05287	1.5
194.08679	0.4
194.10208	2.5
195.02861	1.5
222.25058	0.4
229.49542	0.4
260.12326	0.4
265.08771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01850	1.6
56.96554	4.0
57.03429	3.1
60.04514	1.1
61.02919	3.4
65.03894	0.6
66.07666	0.5
67.05473	0.8
69.03067	0.9
69.03417	11.2
70.02035	2.4
70.06573	0.7
71.04978	1.4
73.02908	2.9
79.05492	3.0
81.03397	4.5
81.07026	0.6
83.01365	0.7
84.08109	0.8
84.96024	0.6
85.02892	18.8
86.03197	0.9
87.04453	3.0
91.03923	1.3
91.05392	5.2
93.07005	1.0
94.06538	0.8
95.01322	0.7
95.04951	1.3
97.02879	8.6
98.20802	0.8
98.97569	7.6
99.04427	2.2
103.05473	2.6
105.07000	5.3
107.04955	1.2
108.08059	0.7
109.02858	2.9
109.06456	0.6
110.97565	1.5
111.04440	1.0
115.05408	0.8
116.98590	4.6
117.05742	11.7
119.01855	1.3
119.04922	1.5
120.08064	3.4
121.02814	0.7
121.06425	1.0
122.05929	0.6
124.04626	0.7
127.03898	4.5
128.98575	2.3
130.06519	3.1
131.04916	1.3
131.07153	2.4
132.04364	1.0
132.08069	18.1
133.05219	6.1
134.05972	1.1
134.99606	2.2
135.04370	1.6
136.04655	0.8
136.07545	1.0
137.05952	2.8
137.08334	2.3
138.05438	1.2
139.03937	0.7
143.00194	0.7
145.01659	1.3
145.04967	3.1
146.99644	1.4
147.03052	1.5
147.04362	2.8
147.06775	3.0
148.07549	38.8
149.05945	1.0
149.07951	1.2
150.05463	7.3
150.09111	1.7
152.07025	1.0
153.01796	9.8
154.02167	0.9
158.99631	1.9
159.06575	0.6
160.07547	7.0
161.04826	2.6
163.02751	1.3
163.03923	2.2
164.04218	2.4
164.06978	2.7
165.00685	0.7
166.04903	0.5
166.06329	0.6
166.08601	10.8
167.06999	2.0
168.05388	8.0
170.99644	1.0
173.04852	0.9
176.07042	46.9
177.00696	1.7
177.05959	10.4
177.07501	1.9
177.56088	1.6
179.07047	0.9
180.06447	0.5
185.02939	1.0
186.04448	0.7
188.56773	1.3
189.00702	0.9
191.05809	2.7
194.08102	40.9
194.09872	1.6
195.08417	1.4
209.06917	1.5
219.01730	3.0
233.06783	0.6
237.02794	3.3
245.69550	0.5
249.08153	3.4
251.08572	1.8
259.04514	0.7
266.09097	1.9
268.05161	0.9
273.05493	0.6
293.10989	0.6
327.44104	0.5
332.11188	9.4
332.61240	2.9
335.10046	4.4
338.12308	0.7
347.11816	0.7
353.10995	2.8
356.13333	100.0
357.06790	0.6
357.13565	5.9
375.07959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	14.0
57.07060	6.8
59.13826	1.5
64.11560	1.6
64.65749	1.4
65.03933	1.5
67.05491	20.2
69.03414	3.2
69.07056	27.7
69.93227	2.2
69.93633	7.1
71.04985	2.9
71.08629	2.4
73.65542	1.5
79.05478	11.5
81.07045	100.0
82.07369	3.1
83.04978	3.9
83.08609	13.1
85.06533	9.3
91.05465	8.4
93.07030	30.4
95.04971	3.1
95.08592	57.2
97.06532	5.0
97.10165	4.3
99.04462	6.8
99.08121	2.9
101.05983	3.0
105.07020	20.5
107.08578	36.4
108.08929	1.9
109.06490	7.7
109.10141	33.2
111.08060	4.0
111.11700	5.6
118.83635	1.4
119.08571	11.1
121.06458	3.0
121.10141	22.5
123.08043	6.2
123.11687	22.4
127.07545	5.4
127.11172	4.2
133.10124	19.4
135.11667	22.9
137.05949	5.0
137.09546	2.4
137.13229	24.8
138.08890	1.6
139.07550	2.7
145.10114	3.9
147.11665	26.1
149.09602	4.3
149.13240	18.9
151.11182	12.9
153.12685	2.5
155.10681	3.4
155.14339	4.6
159.11705	5.9
161.13252	4.9
163.11121	2.0
163.14758	3.3
165.12724	16.1
167.10667	2.1
169.17447	1.5
175.11162	7.7
177.12746	9.4
177.16347	3.5
179.10669	2.2
179.14265	1.5
179.18030	1.9
181.12239	4.0
183.13780	3.0
189.16458	1.7
191.14182	2.3
191.17938	4.3
193.12218	27.2
195.13791	19.2
195.87306	1.5
201.16389	1.5
205.19525	6.0
207.13783	4.0
209.15349	2.0
211.13264	3.9
213.14835	12.7
223.16934	2.6
229.14322	8.2
263.20108	5.4
283.24301	2.0
301.25214	3.4
319.26279	36.2
324.56146	1.6
337.27356	16.5
355.11642	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2835
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05498	25.4
57.03412	7.3
57.07066	13.4
66.73360	2.3
67.05492	76.2
67.28753	1.9
67.61980	2.1
69.03397	3.8
69.07052	35.0
70.03791	2.2
70.04079	12.4
71.04967	3.0
71.08595	5.5
79.05478	22.4
81.03390	3.3
81.07040	100.0
83.04953	3.5
83.08601	29.1
85.02884	2.9
85.06519	4.9
85.10132	3.7
87.80219	2.2
89.05988	2.2
91.05450	20.9
91.83984	2.2
93.07024	33.2
95.04929	5.0
95.08588	84.6
96.08894	3.2
97.06516	11.0
97.10139	19.7
99.08081	4.9
105.07014	16.7
107.08572	25.5
109.06483	3.8
109.10130	48.3
111.08038	6.5
111.11689	3.9
113.09598	2.5
119.08563	24.7
121.10114	31.9
123.11672	25.0
125.09640	3.6
127.11205	2.3
129.05452	4.5
131.08557	3.0
133.10117	23.8
135.11661	14.8
137.05949	6.7
137.13214	10.1
138.54669	2.5
139.11147	4.3
145.10056	3.2
147.11644	17.8
149.13216	13.1
151.14804	7.0
155.14359	3.1
159.11620	3.1
161.13242	15.3
163.14804	13.7
165.16338	9.6
171.10013	2.7
175.14784	13.3
179.17918	5.9
187.14809	3.0
189.16350	8.1
203.18040	2.8
245.22600	47.2
246.22987	2.9
263.23669	58.0
281.24426	2.3
334.04242	2.6
337.27209	38.5
355.11935	2.8
355.17331	3.8
355.28693	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	355.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.2
53.03927	0.4
55.01855	0.4
55.05499	1.2
57.07055	0.5
65.03917	0.3
66.04705	0.5
67.05495	2.2
68.30058	0.1
69.03404	0.6
69.07059	2.2
70.82018	0.3
70.82384	0.3
71.04974	0.4
71.08620	0.4
72.34137	0.1
77.03890	0.2
79.05481	2.7
81.03400	0.8
81.07043	9.9
82.07384	0.2
83.04971	0.3
83.08593	1.0
85.02880	0.4
85.06535	0.9
91.05460	2.5
93.07029	2.7
94.04173	4.1
95.04993	0.7
95.08588	6.1
96.08969	0.2
97.06511	0.4
97.10149	0.5
99.04440	0.2
99.08086	0.5
101.05978	0.2
103.05455	0.2
105.07022	1.1
107.04938	1.2
107.08581	2.9
109.02843	0.5
109.06502	2.4
109.10142	4.3
111.04440	0.1
111.11697	0.4
115.05441	0.3
115.07593	0.2
117.07052	0.2
119.08589	0.9
121.06484	0.3
121.10117	2.7
122.03629	9.8
123.03951	0.3
123.08061	0.3
123.11687	2.6
124.31538	0.2
127.03899	0.3
127.07519	0.4
128.90405	0.2
129.07007	0.2
131.04941	0.2
131.08565	0.2
133.10089	0.8
135.04405	0.2
135.08008	0.2
135.11661	2.1
137.05954	100.0
137.13222	2.8
138.05200	0.3
138.06281	4.7
141.09041	0.2
143.04955	0.2
144.70589	0.2
145.10086	0.4
147.04428	0.4
147.11679	1.5
149.09566	0.4
149.13229	1.8
151.03885	1.7
151.11165	0.4
151.14775	0.4
153.09093	0.3
153.12732	0.2
157.10153	0.2
159.11678	0.5
160.05179	0.4
161.05962	0.2
161.13239	0.5
163.11140	0.2
163.14775	0.3
165.12718	0.5
167.10619	0.2
171.11746	0.3
172.05170	0.4
173.13268	0.3
175.07518	0.6
175.11148	0.2
177.12758	0.4
177.16357	0.7
179.14355	0.2
179.17889	0.3
181.12239	0.6
183.13898	0.2
187.07498	1.5
188.04657	0.2
189.06946	0.2
189.12671	0.2
191.06906	0.4
191.14308	0.3
191.17915	0.2
193.12259	0.4
195.13756	1.2
199.14789	0.2
205.19460	0.8
206.07379	0.2
207.07927	0.3
207.13745	0.2
209.15318	0.5
211.07568	0.5
216.04115	0.6
218.07144	0.2
219.08075	0.4
221.05960	0.2
223.16936	0.2
227.06967	0.2
229.14258	0.3
231.06451	2.5
232.06909	0.2
233.05957	0.2
234.06642	1.0
235.07619	0.3
236.08266	0.3
239.07007	0.2
240.07660	0.2
247.07616	0.3
248.08447	0.2
249.09021	0.9
249.18588	0.3
251.06949	0.3
251.10663	0.3
251.20140	0.2
253.08739	0.3
255.06474	0.4
262.06232	0.5
263.06958	0.3
263.20099	0.4
264.07764	0.3
268.07303	0.2
270.08798	0.3
271.09479	0.9
277.08533	1.7
278.09192	0.4
279.06567	0.4
279.10086	0.6
280.07288	0.2
281.07770	0.2
283.09647	0.4
283.24280	0.3
284.09845	0.2
291.26962	0.2
293.07959	0.2
294.08862	0.5
295.09653	0.5
296.10471	0.2
301.25336	0.3
305.08060	0.5
306.08746	0.2
308.06699	0.2
309.11151	0.8
311.12689	0.4
319.23035	0.2
319.26248	5.3
320.26501	0.2
323.09061	0.3
327.12195	0.2
337.10681	1.8
337.27316	2.0
338.10895	0.2
355.11667	3.6
355.28384	0.3
356.12076	0.4
379.17499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.05508	23.8
57.03428	8.8
57.07054	10.9
57.54285	2.5
67.05495	92.3
68.05827	18.7
69.03416	3.6
69.07056	27.5
71.04976	2.3
71.08616	3.5
79.05069	2.8
79.05485	35.4
80.05806	8.2
81.07045	100.0
82.07389	23.5
83.08601	18.7
85.02887	3.2
85.06545	3.1
85.10130	2.7
91.05452	20.7
92.05784	4.5
93.07026	46.7
93.12128	2.7
94.07378	15.5
95.04955	5.6
95.08589	85.6
96.08929	21.2
97.06509	6.7
97.09233	5.5
97.10162	12.4
98.21535	5.5
99.08076	5.1
105.07011	15.6
106.07352	6.2
107.08575	34.0
108.08910	8.8
109.09368	4.1
109.10135	44.2
110.10487	11.7
111.08089	2.5
111.10804	5.3
111.11684	4.2
117.07020	3.7
118.07389	2.7
119.08546	18.9
120.08902	7.0
121.09288	3.9
121.10114	29.5
122.10469	11.2
123.08102	2.8
123.11673	22.5
124.12045	7.1
125.09648	4.0
131.08565	7.4
132.08922	4.0
133.10104	18.7
134.10458	6.0
135.11655	21.0
136.11986	6.4
137.05957	14.3
137.09576	3.1
137.12320	5.6
137.13246	9.3
145.10114	7.5
146.10437	2.8
147.11682	14.4
148.12025	3.2
149.13228	15.9
150.13539	7.2
151.03827	3.1
151.14827	4.8
157.10106	3.3
159.11621	5.5
160.12015	4.9
161.13332	12.4
163.14795	11.2
164.15109	3.2
165.16489	3.7
173.13205	6.2
173.66920	3.0
174.13556	3.2
175.14839	4.7
177.16312	3.9
177.40242	2.6
185.59848	2.6
188.15118	3.1
189.16347	5.3
193.04994	6.6
200.12531	2.7
201.16426	2.5
205.15800	3.2
214.99432	2.7
229.29330	2.7
243.21103	4.2
244.21513	2.7
245.22578	26.7
247.23763	3.5
261.22025	18.9
262.22418	16.1
263.22931	58.9
289.62323	2.8
330.86234	2.5
337.26968	26.6
355.26993	45.4
355.34000	8.4
362.31696	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	355.2835
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03938	2.0
53.27747	1.4
55.01864	2.0
55.05257	2.3
55.05502	30.0
57.03427	10.4
57.07059	11.7
65.03903	2.3
67.05495	75.5
69.07057	39.2
71.04964	3.9
71.07735	2.7
71.08604	6.1
75.04478	2.0
79.05476	24.1
81.03423	2.5
81.07044	100.0
82.07397	1.8
83.04958	3.8
83.08609	29.2
83.09093	1.7
85.06528	3.5
85.10168	3.0
91.05454	17.3
93.07029	33.8
95.04940	3.2
95.08591	87.6
97.06527	10.2
97.10160	18.5
99.08082	4.4
100.55025	1.4
103.03926	2.7
105.07022	15.3
106.08543	1.5
107.08573	20.2
109.06486	1.6
109.10139	43.8
111.08057	3.6
111.11704	6.5
113.05984	1.3
113.09614	1.8
119.07780	2.1
119.08566	20.5
121.10114	30.0
123.08099	1.6
123.11697	27.7
125.09595	2.8
125.13262	3.0
127.03954	1.3
129.05479	1.6
131.08578	1.6
133.10112	21.4
135.11661	16.4
136.68208	1.3
137.05954	7.2
137.09554	3.1
137.13235	9.0
139.11159	1.9
141.12691	2.7
145.10146	1.7
147.11659	11.1
149.13235	16.3
151.11185	2.2
151.14851	6.7
151.24803	1.6
155.14127	1.4
161.13243	13.8
163.14792	14.7
165.16371	8.4
175.14827	11.9
177.16252	3.6
179.14319	2.4
179.17897	4.4
181.15854	2.4
189.16400	8.1
193.15840	1.6
201.49409	1.4
211.14471	1.3
215.99901	1.5
217.19467	2.8
245.22612	50.5
246.22951	2.3
246.45773	1.6
263.23663	61.1
264.23917	3.1
280.91254	1.3
293.12524	1.5
319.26340	1.6
337.27325	43.6
337.45255	1.5
338.27551	2.5
355.28412	13.1
355.33911	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	355.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74366	0.9
52.75050	0.8
53.03940	1.0
57.03411	4.0
59.04980	1.1
69.03423	6.5
70.58278	2.8
71.04980	14.9
73.04733	3.2
80.13209	1.1
81.03426	5.0
83.04948	1.2
85.02888	12.9
87.04455	2.2
89.03912	1.5
89.06017	100.0
91.05798	8.5
97.02879	16.3
99.04433	5.3
107.04935	1.5
109.02851	7.4
111.04445	1.4
113.05968	2.8
114.06293	2.5
116.20247	1.1
117.03370	1.5
117.05480	2.1
122.05972	2.7
124.07587	1.1
124.97072	0.9
127.03886	8.4
131.07018	8.7
133.02815	1.7
135.04379	7.7
135.06506	24.0
137.05940	2.9
143.06999	1.4
145.02805	3.2
145.04909	5.6
147.04378	2.2
150.05423	2.0
151.03990	1.2
152.07030	3.6
159.06407	1.0
163.03882	35.4
164.07103	1.6
165.05412	1.4
170.08105	1.9
179.06973	1.6
180.07878	1.0
181.04990	1.1
185.08044	1.4
193.04961	13.1
261.09628	2.6
268.97873	1.2
275.11230	1.7
279.10693	2.0
285.00888	4.4
299.04810	1.0
303.01721	1.3
319.13535	1.3
337.13821	1.3
338.13208	1.6
355.06821	3.8
355.15399	2.8
373.08078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2837
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03951	2.2
55.05503	35.1
56.42082	1.8
57.03428	13.0
57.07069	17.5
60.12460	1.9
61.79195	1.8
63.24536	2.3
65.03901	3.1
67.05495	86.4
67.31638	2.0
69.07060	45.9
70.06576	4.3
70.12818	4.1
70.13241	8.3
71.04983	5.6
71.08613	9.5
79.05471	25.1
81.03416	2.5
81.07046	100.0
83.04969	2.8
83.08611	33.0
85.06540	6.6
85.10147	2.7
91.05441	20.0
93.07043	34.3
95.04942	3.7
95.08598	95.3
96.08881	2.3
97.06516	13.5
97.10152	21.8
98.20825	4.4
99.08076	3.7
103.56910	2.2
105.07014	19.5
106.48759	2.5
107.08578	31.7
109.06536	2.9
109.09444	4.0
109.10139	48.6
111.08058	6.3
111.11697	7.9
119.08573	25.5
121.10125	41.4
123.11684	27.6
125.09628	2.1
125.13246	3.7
127.11164	2.5
128.17760	2.4
129.05421	2.2
131.08562	4.1
133.10115	26.1
135.11665	18.8
137.05977	11.3
137.13266	12.4
145.10045	4.2
147.11681	16.0
149.13252	17.3
151.11143	4.7
151.14818	5.2
155.14160	2.5
157.10103	2.9
159.11661	4.2
161.13271	17.4
163.14807	17.5
165.16388	8.1
173.13327	2.8
175.14789	12.3
177.16357	4.3
179.17909	6.7
181.15823	3.7
187.14865	3.0
189.16386	7.8
193.04915	2.9
193.12384	2.1
203.17880	2.5
213.16322	1.9
227.17796	2.2
245.22629	55.1
246.22923	2.7
263.23676	64.3
265.25082	2.8
281.24597	2.6
309.25800	3.0
337.27338	40.6
355.18063	2.1
355.22305	3.8
355.26279	9.4
355.29623	6.3
355.33762	3.4
356.35208	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.7
55.01860	2.1
55.05503	8.8
57.07056	3.3
59.04967	1.4
65.03917	1.5
66.04704	1.8
67.05177	1.3
67.05492	15.7
69.03387	5.7
69.07056	20.4
71.04993	6.7
75.04438	1.4
79.05484	10.1
81.03410	15.5
81.07047	59.6
83.04945	3.2
83.08582	5.8
85.02876	2.9
85.06499	4.2
91.05454	14.2
91.60903	1.2
93.07034	17.8
94.04155	4.8
95.04928	5.2
95.08593	35.9
97.02803	1.8
97.06481	4.9
97.10136	4.0
99.04400	6.0
99.08080	2.7
101.05973	2.6
105.07004	18.2
107.04972	6.9
107.08578	15.4
109.02828	5.4
109.06499	7.4
109.10148	18.8
111.08032	3.6
111.11645	3.1
115.05426	1.7
117.06995	2.5
119.04881	2.1
119.08578	10.0
121.06496	3.8
121.10128	15.5
122.03658	7.8
123.07983	3.8
123.11688	16.4
125.05916	1.6
127.03898	6.2
127.07535	3.1
128.06155	2.1
129.03233	1.4
129.06956	5.7
131.04915	3.0
131.08517	4.6
133.02818	3.5
133.10129	12.0
135.04376	2.4
135.11665	10.2
136.05156	7.6
137.05959	100.0
137.13232	15.5
138.06264	3.1
139.07483	3.2
142.99686	1.8
143.04935	2.7
143.08466	1.9
144.05663	2.0
145.06421	4.1
145.10059	3.5
146.15942	1.3
147.04341	2.1
147.11671	19.5
149.05872	4.7
149.09607	2.2
149.13245	8.8
151.03810	1.9
151.07524	67.1
151.11159	9.0
151.14729	2.1
153.09105	1.6
153.12706	2.6
153.90778	1.5
155.14229	5.3
157.06473	8.9
157.10081	3.4
158.07217	3.4
159.08000	2.0
159.11665	2.8
160.05116	5.8
161.05986	1.6
161.13228	2.2
163.07518	6.1
163.11171	3.0
165.05444	4.4
165.09052	3.7
165.12741	12.9
167.06995	2.2
167.08452	1.6
167.10629	2.0
171.07892	1.5
172.08794	4.4
173.05896	2.9
174.06648	5.9
175.07533	27.8
175.11165	6.3
177.05429	9.3
177.09045	5.9
177.16379	1.6
179.07024	15.1
179.10561	2.2
181.06403	5.0
181.12170	3.3
182.07147	2.9
183.07948	2.3
183.13635	1.7
187.07503	9.6
188.08310	11.5
189.09071	17.4
190.09859	1.9
191.07024	6.4
191.08443	1.5
191.10547	2.0
191.17876	2.2
193.08508	4.5
193.12251	16.1
195.07997	2.1
198.06599	2.2
199.07437	1.6
201.07277	2.3
201.09079	34.0
202.09482	2.1
203.08607	2.9
203.10577	11.6
205.19470	1.8
207.13817	1.4
209.06133	1.7
210.06598	4.9
211.07523	11.2
211.13214	3.9
213.09041	4.6
213.50626	1.4
217.08461	5.2
219.07951	8.7
224.08102	1.8
225.09061	16.7
226.06090	4.9
227.06970	10.8
229.14392	6.9
231.07961	4.6
231.10069	14.5
232.08739	2.0
233.09500	5.6
234.06665	1.7
235.07364	3.2
236.08022	1.9
237.09058	1.8
239.07007	9.4
240.07668	2.9
241.08559	29.8
242.08951	1.5
245.09511	3.7
246.10355	6.8
247.07523	10.5
248.08145	4.7
249.08954	3.1
251.10564	1.9
252.07675	2.3
253.08572	18.2
254.09348	31.3
255.06403	12.2
255.09612	3.7
259.07489	2.5
261.09116	9.3
262.09845	13.9
263.07159	2.9
263.10526	8.8
264.07794	3.5
265.08536	1.6
265.12234	2.5
267.06546	1.6
267.10025	4.2
268.10638	1.8
269.08060	25.7
270.05954	1.6
270.08850	20.9
273.08994	2.3
274.09836	8.7
275.06961	4.4
275.10468	7.9
276.07635	5.4
276.10849	1.7
277.08609	1.8
277.12067	13.0
278.09152	4.3
279.10175	9.9
280.10605	1.4
281.07953	3.7
282.08633	3.0
283.09470	2.6
284.10410	67.3
285.11176	66.0
286.11404	2.5
290.09366	8.3
291.10095	26.4
292.07047	1.7
292.10275	1.5
293.08185	1.9
293.11575	9.1
294.12292	2.4
295.09479	5.1
295.12903	1.9
296.10342	1.9
297.08093	2.1
297.11157	20.1
299.12555	2.2
301.25153	3.1
305.08215	2.7
305.11649	42.8
305.29169	1.4
306.08978	1.9
306.12408	34.6
307.09747	12.0
307.12973	2.7
309.11081	3.3
310.11975	10.8
311.12662	6.5
319.22931	1.8
319.26282	17.0
322.11911	14.9
323.08847	1.9
323.12497	1.8
325.14294	14.7
327.15814	3.7
337.14270	62.9
337.27451	10.0
338.14261	2.2
355.07651	2.2
355.11429	7.7
355.15237	42.6
355.22357	3.0
356.15710	3.0
373.98026	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01860	4.6
55.05484	9.2
57.03424	12.1
67.05466	7.0
67.39235	2.3
69.03120	2.3
69.03420	24.6
69.07045	6.0
71.04979	34.0
72.90321	2.3
73.02886	3.0
75.04450	9.9
79.05463	7.7
81.03376	5.4
81.07026	11.9
83.04964	26.3
85.02891	74.4
85.06541	3.8
87.04456	3.9
91.05456	18.4
93.07029	14.1
94.04147	3.0
95.04939	10.2
95.08565	8.3
97.02858	2.9
97.06474	5.1
99.04417	4.4
99.08099	2.6
103.05434	5.4
105.06070	2.1
105.06315	2.5
105.07008	20.5
106.04139	2.3
107.04916	10.6
107.08584	5.6
107.53365	2.0
108.80724	2.3
109.06428	5.1
109.10133	6.6
111.04418	12.6
113.05958	4.4
115.05458	6.4
117.06986	8.8
119.04932	3.6
119.08543	8.0
121.06460	21.6
121.10160	4.2
122.03587	10.8
123.04391	6.1
123.11679	2.6
127.03899	3.5
128.06221	2.7
129.05449	15.5
129.06924	4.1
131.04909	8.8
131.08578	3.7
132.05606	3.0
133.06425	11.1
133.10120	4.8
134.03633	2.5
135.04382	3.2
135.07971	2.8
137.05949	100.0
138.06348	3.2
141.06958	2.6
143.04826	3.0
144.05629	3.6
145.06435	12.9
147.04320	2.9
147.06473	4.0
147.07983	2.6
147.11639	7.9
149.05922	20.9
151.03958	3.1
151.07497	5.4
153.01750	3.4
153.05293	2.5
157.06406	3.1
159.04420	2.8
159.07988	5.2
161.05922	18.9
163.07516	3.9
165.05452	4.1
165.12639	4.0
167.07010	78.5
169.06488	3.0
173.05952	9.6
175.07506	11.2
175.14734	4.4
177.05443	27.0
179.07060	11.9
181.08569	17.8
187.07516	7.2
189.05444	5.7
189.08987	3.0
191.06992	3.8
193.04875	3.0
193.08592	22.3
193.12170	5.3
195.10092	2.3
199.07576	2.6
203.07022	4.8
205.06670	3.5
205.08569	6.5
207.06465	27.8
207.08156	4.0
209.08070	33.5
211.09746	2.6
213.09038	2.9
215.06998	5.4
221.07947	17.3
223.09567	3.1
229.14365	3.6
231.06517	5.4
231.10075	4.0
233.08026	4.5
233.11694	2.6
235.07545	5.0
239.09050	6.1
247.09598	6.2
251.06903	2.4
251.09158	2.7
259.09641	5.1
263.06870	5.3
265.08530	5.4
279.09958	2.5
285.50732	2.4
289.10648	2.6
292.10229	2.5
294.08710	4.2
295.09528	4.8
301.10568	3.2
309.11282	2.5
311.12732	6.3
319.11606	2.8
322.08044	2.8
323.09064	2.9
329.30707	2.5
337.23660	2.4
355.11618	23.3
355.15521	3.7
356.12064	3.7
360.17267	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	355.1018
Annotation	Scopolin
Peak:m/z	Relative Intensity
57.03429	0.3
59.04976	0.4
69.03407	0.3
71.04961	0.3
71.61296	0.3
71.61692	0.3
79.05478	0.4
81.03388	0.4
81.07027	0.3
83.04939	0.4
85.02896	0.5
91.05796	0.4
93.07016	0.3
95.04931	0.3
95.08587	0.5
97.02834	0.3
105.03376	1.0
107.04932	0.3
109.10126	0.3
112.64433	0.3
117.03278	0.2
121.10104	0.3
122.03625	0.5
122.06015	0.4
127.03870	0.4
133.02834	13.6
133.10100	0.4
133.35747	0.2
134.03146	0.2
135.04369	0.3
137.05966	4.0
137.09537	0.4
147.04382	0.2
149.05980	1.3
150.03078	0.5
150.05443	0.3
151.03989	0.3
161.02290	0.3
161.86269	0.2
163.03912	1.0
164.07257	0.2
165.05424	1.9
170.35992	0.2
175.11172	0.4
175.14822	0.2
178.02583	6.9
179.03055	0.2
189.05315	0.3
193.04938	100.0
194.05275	2.0
205.04903	1.4
229.13464	0.3
235.06017	0.9
259.05936	0.4
271.06183	0.2
289.07016	0.3
319.08130	0.2
337.09650	0.3
355.06757	0.3
355.10983	0.3
355.15118	0.4
355.20978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	0.8
69.74271	4.7
70.06557	0.6
79.05475	1.6
81.07057	0.7
85.02873	1.0
89.03904	6.9
91.05469	0.8
92.56172	0.6
95.04942	0.7
97.02814	0.8
105.03362	0.8
107.04922	2.8
109.06489	0.8
113.06058	0.8
117.03365	9.1
122.03642	0.8
122.06107	0.8
133.02823	15.4
135.04379	18.9
137.05954	4.6
145.01755	0.8
145.02837	12.3
149.05893	0.7
150.03015	0.8
150.05394	0.9
151.03870	0.7
153.01781	1.4
163.03873	93.7
164.04216	3.1
165.05464	2.3
169.09923	0.6
175.05798	0.7
175.11186	0.7
178.02568	9.4
193.04929	100.0
194.05359	3.2
205.04919	0.9
206.05580	0.7
214.04976	0.7
235.05893	1.3
245.08199	0.7
259.05768	0.8
337.09213	1.4
355.10028	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	355.1017
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
51.89223	0.4
57.03391	0.4
61.74591	0.4
63.02366	0.5
70.79493	1.3
71.04930	0.4
75.80861	0.4
79.05469	1.2
83.04942	0.9
85.02899	0.6
86.52898	0.4
89.03909	6.7
89.06013	2.4
91.05774	1.7
95.04965	0.7
96.21305	0.4
99.04408	0.5
99.55241	0.4
106.15369	0.4
107.04935	1.4
110.06034	0.5
113.06047	0.5
117.03361	8.1
126.05386	0.5
131.07007	1.0
135.04401	19.4
136.07573	2.6
145.02832	12.0
163.03883	100.0
164.04227	1.1
164.07039	4.2
182.08119	3.6
186.06650	0.6
193.04918	0.8
196.13020	0.4
202.33569	0.4
204.07614	0.9
240.62947	0.4
268.97931	0.5
285.00821	0.8
338.13486	2.5
355.15997	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
55.05496	1.5
56.96556	0.8
57.03421	1.4
61.02920	15.1
67.05506	0.9
69.03407	4.0
69.07061	1.5
69.33931	9.7
70.06561	0.8
71.04987	1.6
73.04759	1.2
79.05482	33.1
81.03413	1.3
81.07003	1.1
81.39861	0.9
83.04970	1.3
85.02885	7.2
86.17522	0.9
87.04456	2.1
89.03886	2.1
91.05833	7.1
93.07038	24.0
95.04943	2.6
97.02879	3.5
97.06518	19.1
98.97580	1.6
99.04428	1.3
103.05456	1.0
107.04968	1.3
109.02851	2.2
109.06488	1.3
111.04460	1.2
111.08070	1.7
113.06001	2.7
117.03427	1.1
118.65380	0.8
121.06474	8.2
127.03893	2.2
128.98569	1.1
129.05417	1.2
131.06929	1.0
133.90367	1.1
135.04402	3.6
137.05943	1.0
139.07520	100.0
140.07758	1.1
141.85397	0.9
145.02841	3.4
153.01776	3.0
157.08586	68.7
163.03885	23.0
174.05490	1.4
175.06041	2.0
175.09642	44.3
192.06546	4.3
192.08401	1.1
193.04869	1.2
237.02884	1.1
268.97586	1.0
285.00974	2.0
355.06528	1.8
355.10397	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1175
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
51.02369	0.2
53.03923	0.3
57.03427	0.6
61.02894	0.8
62.00103	0.2
67.05474	0.7
69.03418	1.8
69.07034	0.7
71.04961	1.0
71.07671	0.4
71.08006	0.4
73.02879	0.8
74.06080	0.2
77.03905	0.3
78.22182	0.2
81.03388	0.9
85.02888	2.9
87.04442	0.8
89.03866	0.2
91.05461	2.1
94.06549	3.3
95.04931	0.7
97.02869	1.1
99.04418	0.8
105.03364	0.6
109.02840	0.6
113.06024	0.3
115.07542	2.8
117.05721	0.3
118.06519	4.8
119.04885	0.4
122.06001	4.5
124.36108	0.2
127.03865	1.1
131.06979	0.3
133.02794	0.6
134.05962	0.8
135.04419	0.3
136.07564	0.3
139.07520	0.3
145.02760	0.3
145.04965	0.6
146.05975	13.9
147.06754	0.5
148.07561	0.4
150.05455	0.9
157.08575	0.8
162.05482	0.9
163.03902	2.0
164.07042	5.0
174.05473	100.0
175.05846	2.5
175.09613	1.3
176.07050	0.8
184.91245	0.2
190.59918	0.2
192.06516	48.7
193.04933	4.0
193.06871	1.3
234.07545	0.3
336.10535	1.1
354.11768	54.8
355.12225	1.3
369.37473	0.3
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	Grandilobatin A
Peak:m/z	Relative Intensity
53.03939	2.2
55.01869	1.4
55.05510	8.7
57.03421	1.7
57.07061	5.0
59.04991	1.6
67.05495	18.3
67.05820	1.7
69.03419	5.6
69.07053	15.5
70.66187	4.3
71.04979	14.6
79.05474	14.2
81.03404	4.0
81.07044	100.0
82.07372	2.0
83.04981	5.9
83.08624	6.5
85.06502	6.1
91.05463	7.7
93.07027	31.8
94.20518	1.3
95.04950	5.2
95.08591	75.3
96.08922	1.6
97.06528	5.1
97.10144	2.5
99.04445	10.6
99.08086	2.6
101.06025	2.0
105.07013	25.5
107.08583	34.6
109.02888	4.6
109.06485	13.5
109.10137	30.5
110.10434	1.4
111.08065	5.2
117.06980	2.3
119.08553	16.4
121.06455	2.5
121.10126	22.3
123.08054	14.5
123.11684	39.0
125.09624	2.9
127.07502	6.6
127.11153	7.5
131.08577	7.1
133.10098	17.1
135.08037	4.6
135.11673	24.9
137.09608	4.8
137.13231	56.9
138.13570	1.8
139.11139	3.1
141.09071	2.1
141.12703	4.3
142.07742	1.4
143.08551	2.9
145.10091	13.9
147.11665	22.8
147.12781	2.0
149.09607	5.4
149.13232	14.0
151.11171	27.7
152.11520	1.5
153.12732	8.4
155.14256	1.8
157.10136	3.6
159.11690	18.9
161.09671	1.6
161.13235	4.0
163.11134	9.8
163.14830	2.5
165.12721	17.8
167.07047	1.7
167.10626	3.0
169.10187	2.8
169.12283	2.7
171.11650	3.7
173.09636	2.2
173.13225	6.4
175.11139	7.6
175.14755	1.8
176.32434	1.4
177.12732	13.0
177.16371	2.5
179.10645	13.4
181.12233	3.6
183.13747	5.1
187.14815	2.2
189.12758	4.1
189.16446	3.3
191.10593	3.1
191.14203	2.8
193.12206	7.0
195.13797	8.3
197.13426	1.5
199.14960	1.9
201.14764	6.6
201.16389	3.8
203.17918	3.5
207.13757	2.4
209.11742	1.6
211.14938	1.8
213.16353	8.4
215.12683	2.3
215.14597	1.5
227.17932	2.0
229.14229	1.4
229.19466	9.5
231.17542	2.2
235.16908	1.4
237.18452	5.0
237.22101	1.6
247.20474	15.1
249.18427	1.5
275.23779	1.4
281.22610	4.2
289.25180	4.3
299.23642	14.6
307.26385	2.5
317.24704	79.0
318.25043	5.8
320.77530	1.3
335.25732	87.5
336.26050	6.6
353.26917	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	353.2679
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
53.03930	3.5
55.01847	2.8
55.05497	14.4
57.03414	2.1
57.07053	6.3
57.54159	1.4
59.04994	3.2
66.06966	1.7
67.05495	28.4
69.03419	14.5
69.07053	30.3
70.66435	4.4
71.04980	18.9
73.06528	1.9
77.03869	1.5
79.05481	23.6
81.03411	17.7
81.07041	100.0
82.07394	2.2
83.04949	7.0
83.08604	11.5
85.06530	13.5
91.05457	15.8
93.07026	59.0
93.07611	3.2
94.07326	1.9
95.04948	8.4
95.08589	85.0
96.08974	1.8
97.02898	2.9
97.06523	9.7
97.10150	4.7
98.20679	1.7
99.04433	11.5
99.08051	7.8
101.05993	3.2
105.07011	32.6
106.07356	3.8
107.04972	3.1
107.08571	62.6
108.08893	1.5
109.02853	16.5
109.06505	14.3
109.10133	47.0
110.10524	1.7
111.04430	1.9
111.08051	7.9
111.11700	3.3
113.06000	1.7
113.09621	3.1
115.07550	1.6
117.05476	1.8
117.07001	4.3
119.08561	29.6
121.06483	9.7
121.10117	42.0
123.08054	14.1
123.11684	43.8
125.05984	2.7
125.09619	5.7
127.03869	9.8
127.07542	8.8
127.11159	10.5
128.06178	1.9
129.06953	1.7
131.08560	10.8
133.06445	2.7
133.10117	24.0
135.08046	8.7
135.10663	3.3
135.11665	54.4
136.11975	2.0
137.05948	3.2
137.09618	8.1
137.13226	34.3
138.13527	2.3
139.07509	5.5
139.11168	5.9
141.12720	7.8
143.08556	5.8
143.10641	1.9
144.09282	1.6
145.06532	2.0
145.10081	17.6
147.11667	19.1
149.09605	10.4
149.13234	18.3
151.07523	1.7
151.11176	23.3
152.11545	1.7
153.09033	3.3
153.12733	12.4
157.10133	5.7
159.11642	21.5
161.05986	2.5
161.09604	4.5
161.13225	8.3
163.11153	19.7
163.14836	6.0
165.09109	2.7
165.12701	10.5
167.07095	2.6
167.10658	5.5
169.10165	2.5
169.12154	2.8
171.11662	5.0
173.09523	1.7
173.13217	5.8
175.11191	6.6
175.14766	5.0
177.12704	14.0
177.16362	3.9
179.10663	10.1
179.67741	1.7
181.12209	9.2
181.16005	1.4
183.11707	1.7
183.13889	3.2
183.17458	2.5
185.13271	4.0
187.11145	1.5
187.14793	4.8
189.12691	4.3
189.16299	4.2
191.06943	1.9
191.10661	8.7
191.14290	6.2
193.12169	6.7
193.15909	1.7
195.13782	12.0
197.13202	2.8
199.07425	2.4
199.14763	2.4
201.14700	3.6
201.16420	3.3
203.17931	6.3
207.13742	5.7
209.11691	2.7
209.15298	2.4
211.14806	3.0
213.16394	12.6
215.17885	2.2
219.17418	2.4
225.16341	1.7
227.12714	2.8
227.17821	1.9
229.19412	2.5
231.17432	2.8
233.09479	1.9
237.18417	4.8
247.20496	8.4
249.18434	7.3
261.09027	2.9
261.18530	2.4
263.20160	1.6
265.08450	2.3
281.22397	4.2
289.08905	1.7
289.25174	7.3
290.25842	1.6
293.11481	2.1
299.20352	3.0
299.23608	18.8
303.09857	1.8
307.09583	2.1
317.21347	2.3
317.24686	70.1
318.25027	5.7
321.11096	4.2
335.22327	3.1
335.25739	69.2
336.26041	6.7
353.09982	4.3
353.13864	8.7
353.15616	5.8
353.19623	2.2
353.27032	12.1
354.10956	2.8
354.16165	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01848	1.4
55.05500	10.8
57.03419	3.4
57.07072	6.2
65.03926	2.1
67.05493	66.2
69.07053	16.8
69.68950	8.4
71.04976	3.2
71.08609	3.3
74.16583	0.9
77.79661	1.0
79.05477	31.0
81.07043	75.4
82.07394	1.8
83.04956	1.3
83.08600	8.6
85.06512	3.3
91.05461	17.0
93.07029	49.5
95.04957	3.5
95.08590	56.8
97.06505	3.0
97.10167	5.1
99.08056	2.4
101.99613	1.1
105.07013	15.3
107.08575	34.4
109.06490	2.9
109.10139	30.3
111.11730	1.9
113.09653	1.3
117.07011	8.5
119.08556	12.6
121.06527	1.9
121.10120	29.2
123.08127	1.4
123.11687	17.4
125.13276	1.2
131.08543	19.3
133.10088	13.1
135.08072	1.5
135.11670	23.9
137.13220	5.5
145.10092	11.3
147.11655	10.1
148.02502	1.2
149.09659	1.5
149.13222	17.9
151.11128	1.7
151.14809	2.6
153.12715	2.0
159.11679	12.3
161.13228	10.0
163.14792	13.2
165.12732	1.9
171.11639	1.4
173.13225	15.1
175.14824	3.6
177.16376	4.4
179.14316	1.1
187.14799	10.4
189.16351	1.8
191.14310	2.0
201.16359	3.3
205.15793	1.7
219.17371	1.4
233.22531	6.3
243.21031	24.0
244.21449	2.4
249.25798	1.1
261.22092	100.0
262.22400	5.2
279.23215	3.7
306.75024	1.1
317.24179	1.0
335.25845	7.1
335.29297	1.3
353.26865	38.9
354.27023	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2679
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	3.3
55.05501	14.1
56.37341	1.5
57.03434	7.3
57.07063	3.0
65.03915	2.8
67.05494	96.3
68.05832	1.6
69.07051	14.7
71.04976	1.6
71.07585	1.6
71.07928	3.4
71.08630	2.1
75.04453	1.7
79.05479	40.1
81.07045	92.8
82.07378	2.1
83.04937	2.2
83.08602	6.9
85.06507	4.9
91.05469	16.7
93.07027	53.6
95.04913	2.7
95.08592	76.6
96.08965	2.1
97.06512	4.8
97.10126	4.1
105.07014	15.4
107.08578	35.1
109.06487	2.6
109.09447	2.7
109.10139	36.0
117.06992	9.1
119.08560	14.4
121.10128	33.9
122.10458	2.3
123.11678	19.8
131.08559	19.2
133.10103	13.8
135.11668	25.5
137.09586	1.7
137.13255	7.7
139.11214	1.7
145.10106	14.0
147.11655	12.6
149.13237	18.1
151.11154	1.7
151.14781	2.3
159.11662	13.4
161.13275	10.2
163.14810	15.8
167.24698	1.7
173.13264	16.1
177.16339	4.8
179.14284	2.1
187.14774	8.7
233.22635	4.1
243.21033	23.5
244.21384	2.2
261.22113	100.0
262.22452	6.9
279.23141	6.9
317.24731	2.0
335.25790	19.1
337.43167	1.9
353.26816	40.6
354.27200	3.0
369.37360	1.7
370.98132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
53.44457	1.1
55.05503	11.2
57.03432	1.5
57.07053	4.2
65.03927	1.7
67.05496	67.2
69.07047	8.5
70.09744	6.1
71.04967	3.0
71.57038	1.1
75.04455	1.1
79.05478	33.9
81.07045	71.0
82.07382	2.0
83.08601	4.6
85.06546	2.7
91.05473	15.4
93.07030	45.9
95.04945	2.1
95.08592	51.7
97.06490	2.2
97.10177	2.4
98.21360	2.0
99.08067	2.3
105.07017	14.8
107.08586	31.5
109.06483	1.8
109.09442	2.1
109.10145	25.5
117.07008	6.1
119.08560	12.4
121.10132	25.6
123.07999	1.5
123.11689	16.8
125.09634	1.5
131.08553	16.8
133.10083	12.2
135.11681	24.5
137.09604	2.4
137.13229	5.9
145.10085	12.0
147.11653	10.4
149.13231	16.3
151.14809	1.7
153.12793	1.5
159.11650	12.7
161.13231	7.3
163.14786	11.6
173.13228	12.8
175.14775	2.2
177.16353	4.3
187.14769	9.1
191.14359	1.2
201.16368	2.3
214.58614	1.3
219.17432	2.1
233.22562	4.5
243.21080	25.0
258.16284	1.6
261.22107	100.0
262.22440	4.7
279.23132	3.5
335.25604	8.4
353.26849	33.3
354.27298	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2677
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03937	3.0
55.05507	14.8
57.03427	8.1
57.07069	3.5
58.52539	1.5
65.03930	2.2
67.05494	91.9
69.07055	12.6
70.09064	4.0
70.09457	5.0
71.04983	2.7
79.05482	38.3
81.07043	100.0
82.34494	1.7
83.08605	5.4
85.06519	3.4
91.05481	19.5
93.06467	3.5
93.07030	45.5
95.04976	2.5
95.08594	68.1
97.06501	2.3
97.10179	3.8
99.08122	1.8
105.07027	16.6
107.08569	34.3
109.10139	35.1
111.08057	2.6
117.06998	5.9
119.08545	13.2
121.10126	29.5
123.11675	17.7
131.08569	20.8
133.10109	10.3
135.11647	19.1
137.09508	3.0
137.13214	7.9
145.10103	14.4
147.11649	12.4
149.13220	15.4
151.14864	2.2
159.11649	14.1
161.13284	6.4
163.14812	10.6
165.12697	2.2
170.75038	1.7
173.13231	13.2
175.14825	2.9
177.16351	5.0
187.14792	9.1
201.16463	1.8
233.22487	2.2
243.21062	22.8
261.22110	96.4
262.22458	5.6
279.23166	5.2
335.25848	13.4
353.26831	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	1.8
55.01856	1.2
55.05503	14.0
57.03431	5.4
57.07065	5.4
58.83818	0.8
65.03919	2.4
67.05495	92.1
68.05806	1.4
69.07059	14.0
69.40359	1.5
69.40770	6.5
71.04966	3.2
71.08610	3.4
75.04477	2.2
76.35423	0.8
79.05481	36.2
80.05816	0.9
81.07045	100.0
82.07377	1.0
83.04960	2.1
83.08598	9.2
85.06521	3.2
85.10153	1.2
87.33524	0.8
89.06005	0.8
91.05461	20.0
93.07030	52.4
94.07361	1.1
95.04955	3.5
95.08591	81.9
96.08916	1.4
96.56118	0.7
97.06511	3.1
97.10153	4.7
99.08072	2.6
105.07013	17.7
105.31400	0.8
107.08576	38.1
108.08846	0.9
109.06491	1.8
109.10138	38.9
110.10455	0.9
111.08058	1.7
111.11697	1.3
113.09633	1.7
117.07015	8.8
117.80251	0.8
119.08557	15.3
121.06510	1.9
121.10123	33.9
123.08062	1.7
123.11689	23.4
125.09617	1.8
131.08551	19.2
133.10098	14.2
135.11670	28.3
136.12064	1.4
137.09575	2.1
137.13225	8.7
139.11153	1.0
143.65652	1.0
144.09314	1.1
145.10107	15.2
147.11676	10.5
149.13239	16.8
151.11110	2.0
151.14789	2.8
153.12717	2.0
157.10071	1.1
159.11670	14.4
161.13240	9.9
163.11113	1.3
163.14798	12.3
165.12711	2.1
165.16357	0.9
173.13245	17.0
175.14795	3.7
177.12738	1.3
177.16356	5.4
179.14255	1.2
187.14795	9.8
189.16370	1.9
191.14276	1.9
201.16411	3.5
205.15857	1.6
209.15446	1.7
215.17888	2.1
227.12624	1.2
233.22603	4.9
243.21054	30.8
244.21379	1.6
261.22101	95.2
262.22473	4.6
279.23160	7.1
317.24805	1.3
335.25757	16.4
336.25870	1.1
353.26840	36.2
353.31552	1.5
354.27203	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.8
55.01853	6.3
55.05510	13.2
55.49324	1.4
57.03419	2.7
57.07048	2.5
62.91613	1.4
67.01826	1.5
67.05498	19.2
69.03071	2.0
69.03420	26.9
69.07054	19.3
69.98183	5.7
69.98608	3.5
71.04987	15.9
74.84518	1.2
79.05048	2.2
79.05481	27.9
81.03405	79.3
81.07042	59.3
82.07391	2.4
83.04972	15.7
83.08603	2.9
85.02885	5.3
85.06539	6.5
89.39956	1.5
91.05460	17.6
93.07028	61.0
95.04946	11.8
95.08586	20.6
97.02876	13.0
97.06512	12.6
97.10112	1.8
99.04425	24.2
103.05433	1.7
105.07014	44.8
107.04956	6.9
107.08574	53.6
109.02863	80.2
109.06522	13.6
109.10134	17.0
110.03627	5.9
111.04408	10.1
111.08051	9.4
111.11694	1.7
113.05978	2.9
115.05441	1.9
117.07000	5.9
119.04952	2.0
119.08563	25.2
121.06488	22.2
121.10122	49.5
123.04391	4.0
123.08076	7.4
123.11684	6.8
123.54663	1.3
124.05260	1.6
125.02350	9.0
125.05970	5.6
125.09625	2.7
127.03899	47.1
127.07550	4.8
127.11204	1.4
128.06203	1.6
129.06999	2.5
130.07756	3.9
131.08554	9.8
133.06499	2.9
133.10100	10.5
135.08038	14.2
135.11670	20.9
137.05974	6.5
137.09633	9.3
137.13266	2.7
139.07574	4.5
139.11151	2.8
143.08545	2.7
145.05043	1.7
145.06448	3.9
145.10103	39.8
147.04417	2.8
147.07997	4.0
147.11699	9.3
149.05894	3.1
149.09573	16.7
149.13257	4.5
151.07535	4.3
151.11134	3.8
153.05438	2.0
153.09048	2.8
153.12701	4.0
155.08556	2.2
157.10126	3.0
159.08023	3.6
159.11693	4.4
160.70285	1.6
161.05977	5.9
161.09584	6.4
161.13235	3.3
163.07599	7.1
163.11154	77.8
163.14795	2.1
165.05341	1.8
165.09099	5.4
165.12709	2.0
167.07002	8.4
167.10661	14.2
169.08623	9.6
171.08054	2.7
173.06007	1.9
173.09592	9.5
173.13252	5.1
175.07521	3.9
175.11101	1.7
175.14761	2.0
177.09055	2.6
177.12683	1.6
179.10625	4.1
181.12195	18.0
183.11580	1.6
185.09680	2.3
185.11702	2.3
187.11116	2.1
189.09081	2.5
189.12794	1.9
190.07639	2.2
191.07018	5.3
191.10649	53.6
191.14311	5.1
201.09007	2.7
203.18028	1.6
207.10060	2.4
207.13976	1.8
209.11726	24.7
209.15146	1.4
215.08420	2.7
215.10638	2.3
218.07315	2.5
227.12701	16.4
231.13811	1.9
233.09615	3.8
234.06543	1.8
235.07419	2.2
237.11160	1.8
243.13889	2.5
246.06783	2.7
247.07376	3.1
253.12202	1.9
257.09229	1.8
261.09036	5.1
263.07037	2.6
271.13220	4.8
275.10223	1.5
277.08429	3.3
289.14328	4.0
291.15814	2.5
292.10849	1.7
293.08270	1.6
293.11368	2.2
299.23401	2.5
306.08749	2.4
307.09644	3.6
309.11182	3.0
309.16824	5.7
317.13828	4.9
317.21124	3.3
317.24356	2.7
321.11215	7.9
323.09171	2.5
335.11993	3.7
335.15317	2.8
335.22083	4.0
335.25784	4.1
353.16266	100.0
354.10370	2.1
354.16281	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	352.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01858	2.2
56.96548	2.2
57.03423	2.8
58.06585	1.3
58.34799	0.7
59.04987	0.9
60.04508	2.3
60.34984	0.8
61.02896	2.5
67.05498	0.9
68.25620	0.7
69.03426	10.3
69.07046	2.8
70.06193	0.8
70.06580	15.1
71.04273	1.6
71.04977	1.3
73.02898	2.5
81.03394	3.5
81.07040	1.1
83.04942	0.9
84.08121	4.0
85.02896	21.9
85.03410	1.3
86.09686	6.5
87.04456	2.5
91.03935	1.5
93.07022	1.1
95.04962	1.0
97.02891	8.5
98.97573	2.8
99.04449	2.2
107.37106	0.8
109.02879	3.9
109.10105	1.1
111.04395	1.4
113.06020	1.1
115.02407	0.9
115.07594	0.8
116.07055	4.4
116.98601	1.6
126.12777	19.6
127.03926	6.1
134.99608	1.1
137.05936	1.1
139.03755	1.0
144.13815	60.3
145.04910	3.6
146.99422	0.8
152.61510	1.0
153.01793	1.7
155.07048	1.8
162.05452	1.6
162.99184	0.9
172.13300	6.3
173.08098	2.4
173.97514	0.9
190.04904	1.8
190.10725	2.6
190.14354	100.0
191.08284	1.2
191.14722	2.5
214.14441	1.0
216.56609	0.9
219.01775	1.4
237.02789	2.7
261.76157	0.8
301.48410	0.9
306.19171	1.3
310.08920	1.2
316.17456	1.3
324.58789	1.0
334.18622	1.0
337.07111	1.0
352.09891	1.4
352.15497	1.3
352.19559	11.4
353.13052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.0
57.03409	1.4
57.07058	4.1
58.07391	1.5
59.04984	3.1
60.04510	1.6
64.80107	1.0
67.05495	7.9
69.03419	3.2
69.07062	3.2
71.04993	9.8
71.61443	1.2
71.61827	1.2
79.05448	2.2
81.03380	1.9
81.07034	5.6
84.04500	1.2
85.02894	4.6
85.06531	3.7
86.09692	1.6
91.05470	2.7
93.07030	7.4
95.04964	1.6
95.08594	90.8
96.08926	2.3
97.02866	1.9
97.06465	3.1
99.04444	5.8
101.06001	2.3
103.05451	3.0
105.07002	1.5
106.06541	4.5
107.04917	1.8
107.08607	1.1
109.02847	1.8
109.06493	2.1
109.10139	23.4
113.05984	6.6
113.09615	3.8
119.08562	3.4
123.07954	2.1
127.03918	2.3
127.07507	1.2
129.03580	1.1
129.09016	1.6
131.04912	12.3
132.57480	1.0
133.10115	1.3
134.10431	1.2
136.06184	7.2
137.05934	4.6
137.09599	20.8
138.09959	1.1
145.08554	3.2
148.07550	2.7
155.10649	100.0
156.11090	1.9
162.05507	1.2
173.08105	1.3
173.11714	38.0
190.04959	1.7
190.08601	3.6
191.09177	1.2
198.23637	0.9
202.10788	1.5
220.11931	5.5
262.85999	1.1
280.67169	1.0
293.10403	1.6
307.12601	1.1
345.05682	1.1
352.15784	3.6
353.13202	6.4
353.16943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13596	0.6
53.03944	0.8
55.05502	5.2
57.03428	2.1
59.04984	3.7
60.04518	1.2
67.05498	8.9
69.03413	4.0
69.07068	2.1
71.04980	10.9
71.61342	0.7
71.61720	1.1
74.09698	0.7
79.05482	1.3
81.03399	1.8
81.07040	4.2
83.04987	1.2
83.08601	0.8
85.02885	4.4
85.06544	2.3
86.09711	0.8
87.04472	0.9
88.35236	0.7
90.12956	0.7
91.05460	1.9
93.07029	9.4
95.04966	1.9
95.08592	100.0
96.08919	2.0
97.02873	1.8
97.06536	0.9
99.04446	3.1
101.06004	1.6
103.05473	2.6
106.06546	2.9
107.04944	1.7
107.08563	1.2
109.02859	2.0
109.06529	1.0
109.10139	24.2
111.08080	1.5
113.05982	5.2
113.09632	2.5
113.63808	0.7
119.08560	5.5
127.03927	1.5
127.11197	2.3
129.05446	1.5
131.04916	9.2
133.10117	1.1
135.11624	1.0
136.07628	0.9
137.05931	1.4
137.09598	25.4
143.07338	0.9
145.04912	1.1
145.08606	2.2
147.06589	0.7
148.07530	1.7
155.10645	91.9
156.11003	1.3
162.05481	2.2
166.08525	0.8
170.08089	1.2
172.07465	0.9
173.11716	51.7
174.12047	1.2
182.08133	1.5
183.08321	0.9
190.04964	1.4
190.08575	3.6
191.07014	0.8
192.06415	0.7
194.48466	0.7
203.05290	1.0
204.61096	0.7
215.75491	0.7
220.11842	1.0
260.76071	0.7
268.42935	0.7
287.10101	0.8
293.10214	0.9
310.18753	0.7
352.10544	5.3
353.13889	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10794	1.4
53.03934	4.1
55.01854	3.0
55.05502	18.3
57.03424	4.9
57.07055	3.9
57.43530	1.4
65.03922	2.0
67.05166	2.6
67.05497	40.0
67.67598	1.3
69.07063	15.7
70.28213	7.7
71.04990	3.0
71.08595	1.7
75.04462	1.9
79.05479	55.6
81.07043	51.4
83.04973	1.6
83.08609	8.3
85.06513	4.7
91.05465	46.2
92.74496	1.4
92.81896	1.5
93.07027	73.4
94.07359	2.1
95.04990	7.6
95.08588	37.0
97.06509	5.1
97.10136	2.5
99.08082	5.6
105.07013	59.8
106.07339	2.0
107.08576	43.1
108.08910	1.6
109.06527	5.5
109.10139	17.7
113.09676	1.6
117.06998	12.2
119.08559	51.6
121.10117	33.4
123.08067	2.3
123.11684	5.9
125.09576	2.9
129.06992	6.2
131.08545	22.7
133.10106	46.5
134.10432	2.0
135.08057	2.1
135.11671	37.5
137.09581	2.6
142.07733	1.9
143.08527	10.4
145.10078	24.0
147.11661	51.8
149.09612	3.5
149.13248	18.8
151.11229	2.5
153.43077	1.4
157.10126	10.1
159.11676	21.4
161.09663	2.4
161.13231	33.3
163.11116	2.8
163.14803	6.7
171.11665	14.5
173.13306	10.9
175.11139	2.1
175.14787	16.1
177.12735	3.5
185.13222	16.1
187.14767	3.0
189.12756	2.7
189.16388	2.8
189.24736	1.8
191.14282	1.7
193.15692	1.6
196.10443	1.5
199.14812	8.6
203.14302	2.1
213.16400	3.5
215.17943	2.2
217.19530	1.5
231.17429	4.0
231.20992	8.0
239.77127	1.5
241.19492	30.6
259.20532	100.0
260.20773	3.4
277.21692	4.5
289.21561	1.9
333.24411	5.4
351.25327	83.6
352.25735	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77483	1.2
53.03941	2.8
55.01858	4.7
55.05505	18.6
57.03435	14.7
57.07063	5.6
62.54160	1.4
65.03942	2.3
65.32163	1.3
67.05499	48.8
69.03436	2.3
69.07063	25.6
69.96571	1.5
69.96905	9.6
71.05005	3.3
71.08624	51.4
72.97495	1.3
78.63026	1.3
79.05047	3.0
79.05485	39.3
79.68892	1.4
81.03411	6.2
81.07048	59.2
83.04973	11.6
83.08616	10.1
85.06548	4.6
89.99741	1.5
91.05464	34.8
91.06003	2.5
93.07035	56.7
95.04953	13.8
95.08598	44.3
97.06532	10.2
97.10161	5.0
99.08079	38.3
105.07020	28.5
107.04958	4.8
107.08580	31.9
109.06493	6.3
109.10136	21.9
111.08057	2.4
113.09620	3.9
117.07019	5.7
119.08572	25.2
121.10127	28.5
122.82962	1.4
123.08075	3.8
123.11711	3.3
125.09610	3.9
127.11173	2.3
131.08543	7.5
133.10126	17.2
135.11682	36.1
136.15964	1.5
137.05928	1.4
137.09615	3.8
137.13231	1.8
141.09081	4.3
143.08551	3.8
145.10091	7.1
147.04398	1.6
147.11696	14.4
149.13232	15.8
151.11174	19.4
153.12737	2.8
157.10159	3.9
159.11668	8.2
161.09634	1.9
161.13229	15.9
163.11143	7.9
163.14851	5.0
165.12750	2.5
167.10689	1.9
171.11723	4.8
173.13225	3.1
175.14810	2.0
177.12766	4.7
179.14293	100.0
180.14706	4.8
183.11823	1.6
185.13300	2.5
187.14780	3.5
189.12743	4.1
189.16415	1.5
195.13721	3.2
199.14810	2.7
213.16426	2.9
221.15317	2.2
235.16975	5.5
237.16513	1.7
241.19501	3.6
259.20474	10.8
277.21622	54.0
305.22067	1.6
333.24173	2.7
335.84326	1.5
351.25311	69.6
351.30161	3.9
352.25269	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.1
53.03924	3.3
55.01852	1.8
55.05502	15.9
57.03422	7.5
57.07071	7.2
65.03928	2.9
67.05495	42.7
69.03399	1.8
69.07051	16.4
69.75783	5.6
69.76209	4.2
71.04978	3.4
71.08599	5.3
75.04456	2.8
75.27567	1.2
79.05480	63.1
79.05949	3.0
81.07045	50.3
83.04968	1.5
83.08611	9.8
85.06531	3.1
89.06028	10.7
90.43149	1.2
91.05466	44.5
93.07030	88.5
94.07352	2.0
95.04955	7.3
95.08591	40.0
97.06512	3.7
97.10146	2.5
99.08075	4.1
105.07014	51.6
107.08582	48.8
108.08911	1.9
109.06509	3.6
109.10143	15.2
113.09605	1.8
117.06994	13.4
119.08562	51.8
121.10125	41.4
123.08054	2.9
123.11688	4.4
125.09579	1.9
129.07042	6.3
131.08551	18.2
133.08534	3.6
133.10106	47.5
135.11671	41.8
143.08560	9.1
145.10114	20.3
147.11671	47.2
147.12680	1.4
149.09639	3.2
149.13240	27.1
151.11163	2.1
157.10117	9.0
159.11674	17.6
161.13229	31.2
162.88322	1.5
163.11157	4.1
163.14812	11.1
171.11635	12.8
173.13206	11.6
175.11272	2.1
175.14815	14.0
177.12737	5.2
179.14171	1.6
185.13217	11.7
187.14786	3.3
189.12720	3.2
191.14314	1.5
195.13940	1.5
199.14836	6.9
203.14282	2.2
213.16354	5.7
217.15945	1.5
217.19479	3.2
231.17412	3.6
231.20959	7.6
241.19475	35.0
242.19843	2.6
259.20538	92.8
260.20892	4.8
277.21600	14.3
315.23279	1.8
333.24139	12.3
351.25284	100.0
352.25668	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.01860	2.6
55.05501	16.5
57.03424	4.5
57.07070	2.6
67.05494	40.9
69.03407	2.5
69.07061	16.5
69.42777	3.7
69.43185	9.8
71.04966	3.2
71.08611	3.0
73.92028	1.4
75.04469	2.3
79.05483	54.1
81.03413	2.2
81.07048	48.2
83.04954	4.7
83.08608	8.1
85.06524	4.9
91.05468	53.7
92.05807	2.7
93.07028	69.5
94.07358	1.5
95.04966	5.0
95.08594	35.3
97.06502	5.2
97.10152	1.3
99.08083	5.5
103.66612	1.4
105.07017	60.9
106.07304	2.1
107.07854	2.4
107.08581	40.0
109.06509	1.5
109.10149	12.9
111.08064	2.1
117.06999	14.5
119.08563	51.8
121.06493	1.3
121.10129	31.5
123.08096	2.0
123.11692	3.5
125.09626	2.3
128.06227	2.5
129.06985	8.7
131.08554	20.0
132.12910	1.7
133.10110	48.4
135.08032	2.9
135.11671	32.8
137.09604	3.4
139.66216	1.4
142.07895	1.9
143.08566	11.4
145.10097	18.7
147.11667	44.2
148.12059	2.6
149.09607	3.6
149.13223	20.7
151.11197	3.2
157.10057	10.0
159.11678	18.3
161.13228	35.0
163.11208	2.3
163.14815	5.9
165.12801	1.7
169.10104	1.8
171.11668	12.6
173.13216	11.6
175.14784	14.1
177.12785	4.3
179.14249	3.4
185.13225	12.2
187.14818	2.9
189.12743	3.6
189.16295	2.0
199.14810	9.3
201.16405	1.5
201.70827	1.5
203.14240	2.3
208.36415	1.6
213.16377	4.6
217.16019	2.4
217.19522	3.5
231.17436	2.1
231.21045	11.9
241.19484	37.0
242.19922	2.7
248.09212	1.6
259.20544	100.0
260.20981	4.4
277.21530	6.1
315.23083	1.9
319.99759	1.4
333.24146	5.2
351.25299	78.5
352.25696	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
55.01856	1.7
55.05259	1.3
55.05503	17.6
57.03431	9.3
57.07049	4.4
65.03943	2.1
66.73621	1.2
67.05493	39.5
69.03423	2.0
69.06713	1.4
69.07056	16.8
70.15707	6.2
71.04973	4.2
71.08613	10.5
71.94572	1.0
79.05481	59.7
80.05807	1.8
81.03362	1.5
81.07043	55.2
82.07372	1.6
83.04947	2.9
83.08614	8.3
85.06530	6.0
86.07892	1.1
89.06023	1.6
91.05464	46.2
92.05816	1.9
93.07027	79.1
94.07357	1.2
95.04966	7.0
95.08594	37.9
97.06499	3.6
97.10166	3.2
98.20759	1.5
99.08077	9.2
99.15811	1.2
101.05966	2.1
105.07012	52.0
107.04926	2.5
107.08578	49.6
109.06496	2.8
109.10146	15.3
111.08022	2.9
116.39465	1.2
117.07003	12.2
117.17041	1.2
119.08560	47.1
121.06451	1.6
121.10121	36.2
121.11008	1.7
123.08064	2.3
123.11687	5.8
125.09609	1.6
129.06984	8.1
130.72600	1.2
131.08546	18.8
133.10106	43.8
134.10449	1.5
135.08040	3.5
135.11665	41.6
136.12013	1.3
137.09572	1.5
139.11151	1.7
143.08551	9.6
145.10110	20.2
146.10654	1.2
147.11667	42.0
149.09587	3.2
149.13229	27.2
151.11180	5.1
157.10118	8.6
159.11664	18.1
161.09648	1.4
161.13226	35.8
162.13544	1.7
163.11166	4.2
163.14787	6.8
165.12709	1.8
171.11656	12.8
173.13228	11.2
175.11273	2.1
175.14801	18.5
177.12721	6.0
179.14276	14.2
185.13234	12.9
187.14801	3.2
189.12714	3.3
189.16359	1.5
199.14804	5.8
203.14322	1.9
207.13795	2.1
213.16339	4.8
215.17978	2.9
217.15814	1.9
217.19377	5.5
221.15309	2.1
231.17400	3.0
231.21046	7.9
235.16731	1.6
241.19478	33.1
242.19901	1.6
259.20529	86.9
260.20932	5.1
277.21567	21.2
315.23166	1.4
333.24118	11.1
351.25266	100.0
352.25592	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	351.2523
Annotation	5-cis Carbaprostacyclin
Peak:m/z	Relative Intensity
53.03938	2.9
55.01861	3.0
55.05288	1.5
55.05505	15.1
57.03440	7.7
57.07064	3.2
65.03928	2.6
67.05496	41.2
68.21719	1.4
69.03415	2.5
69.07056	16.8
69.42471	4.7
69.42894	8.2
71.04974	4.5
71.08614	1.7
75.04458	1.2
77.03883	1.7
79.05479	55.3
81.03415	2.5
81.07044	55.6
82.07423	1.2
83.04973	3.8
83.08606	6.5
85.06526	5.2
91.05467	44.5
93.07028	85.1
95.04955	5.1
95.08594	38.2
97.06519	3.7
97.10151	4.3
99.08074	4.8
104.20825	1.4
105.06292	2.5
105.07012	52.0
106.07380	1.5
107.08577	47.6
107.09283	2.9
108.08890	1.3
109.06498	5.0
109.10136	16.5
111.08101	3.2
113.09619	3.5
117.06982	13.5
119.08567	49.8
121.06487	1.8
121.10123	40.2
121.68149	1.3
123.08044	3.2
123.11706	6.7
125.05939	2.6
125.09627	3.2
127.03906	1.5
128.06158	1.4
129.05501	1.7
129.06985	7.8
131.08531	17.6
133.10110	42.6
135.08043	4.4
135.11671	42.4
136.11937	1.5
137.05952	6.2
137.09618	2.6
139.11198	1.6
143.08516	9.8
145.10091	20.2
147.04395	2.5
147.07996	1.6
147.10478	2.2
147.11662	41.9
148.12010	1.9
149.09608	4.8
149.13228	25.1
150.13551	1.5
151.11157	2.8
153.09047	2.2
157.10068	11.7
159.11661	18.7
161.09563	3.8
161.13234	37.2
161.14578	1.9
162.13499	1.5
163.11150	4.3
163.14813	10.9
165.12711	1.7
167.10698	2.4
171.01698	1.4
171.11624	12.4
173.13269	11.7
175.11250	2.8
175.14795	19.3
177.12714	3.2
179.10684	2.1
181.12144	1.5
183.11644	1.9
185.11736	2.2
185.13202	12.1
186.38243	1.3
187.14780	3.8
189.12711	5.6
189.16408	1.4
193.12212	2.5
199.14752	9.0
201.16362	2.3
203.14284	2.1
203.17976	3.6
207.42960	1.5
213.16391	5.4
215.18071	1.6
217.15839	2.7
217.19551	6.1
231.17444	4.0
231.21074	8.9
241.19473	34.8
242.19864	2.1
259.20529	91.6
260.20993	3.9
277.18005	4.8
277.21634	13.2
295.19186	1.6
295.93619	1.4
297.22052	2.2
315.23138	5.2
333.24161	16.2
351.25290	100.0
352.25616	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	351.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89763	0.4
55.05492	0.9
61.05257	0.4
65.06568	0.4
67.99536	0.4
69.03384	0.4
69.73942	1.6
69.74355	1.1
71.04990	1.2
81.03401	0.7
81.07048	0.6
85.02880	1.3
89.06020	2.8
97.02891	1.2
99.04453	0.4
101.05959	0.6
109.02876	0.5
127.03881	0.7
153.12749	0.5
164.97281	0.5
175.08727	0.6
189.10194	0.5
198.11502	0.5
199.08514	2.0
200.09399	7.6
201.10184	7.1
212.09592	0.7
213.10208	7.3
214.10997	5.5
215.11775	18.2
216.12469	1.3
217.09720	1.3
219.11244	9.6
225.10242	0.5
226.10968	1.8
227.08113	0.5
227.11610	0.9
228.12558	3.1
231.11238	3.0
232.11943	0.6
241.09790	2.5
241.13318	4.9
242.10469	10.0
243.11230	2.1
245.09213	1.1
254.10458	0.6
255.11276	0.6
256.12067	3.2
259.10724	3.0
260.11533	3.7
261.12369	1.0
269.12869	4.4
270.13455	0.8
271.14432	0.7
272.11600	0.8
274.13004	0.6
277.11774	3.3
282.09875	1.0
287.13797	2.2
289.15491	0.7
297.12341	5.9
300.11038	2.2
302.37827	0.5
305.14722	0.6
315.13367	18.5
316.13611	1.0
333.14404	19.0
334.14783	0.8
351.15457	100.0
352.15768	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	351.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96496	2.4
57.03395	0.8
58.99809	1.0
61.02890	1.0
69.03419	2.8
69.39357	2.5
69.39788	1.9
71.04919	1.0
73.02861	1.1
81.03353	1.4
81.67474	0.4
82.99808	0.8
85.01355	1.0
85.02898	4.0
94.99792	1.0
97.02892	2.5
98.97563	2.8
99.04355	0.7
101.00875	6.2
103.02425	3.0
109.02803	1.0
110.97521	0.6
111.02962	0.6
111.04349	0.4
112.99114	0.6
113.00854	3.1
113.02245	0.5
114.05460	0.5
115.02406	3.3
116.98560	1.5
117.03960	3.8
119.01910	14.6
120.01978	0.6
121.01575	1.9
121.03431	1.4
127.02331	1.8
127.03847	1.3
129.03955	5.3
131.01901	12.9
133.01656	0.7
133.03458	11.3
135.05020	2.3
137.00798	0.8
137.02885	1.6
139.02357	0.7
141.03883	1.7
143.01852	3.1
145.01665	0.8
145.03453	11.6
145.04704	0.9
146.03510	0.7
147.01328	0.8
147.05014	40.9
148.05092	1.7
149.01157	0.7
149.02888	1.7
151.04489	0.9
153.03967	3.9
155.01895	11.3
155.05421	0.8
156.02711	0.9
157.03461	4.6
159.05023	7.6
161.02962	3.4
161.27194	0.6
162.03159	0.4
163.02774	2.4
163.04434	2.0
165.03983	0.9
165.06081	13.9
167.01811	1.2
169.03384	2.0
170.06575	0.7
170.99536	0.6
171.05014	28.3
172.05067	1.4
173.01382	0.7
173.02945	10.5
173.06537	3.6
174.03024	0.7
175.02905	0.7
175.04474	4.3
177.00650	1.0
177.04292	0.9
177.06012	1.3
179.01987	0.8
180.02840	0.6
181.03520	1.7
183.03453	0.5
183.05034	9.2
184.04901	0.7
185.03055	2.4
185.06607	5.3
187.04588	2.3
187.08006	0.5
188.05292	1.0
189.06062	46.5
190.06255	2.3
191.07530	0.9
193.03560	0.7
195.05014	3.3
196.02121	1.9
197.02892	1.2
197.06564	1.7
199.04472	1.1
199.08191	0.6
201.06067	50.6
202.03532	0.5
202.06221	3.1
203.02208	0.9
203.03963	5.3
203.07640	9.7
205.03711	1.3
205.07346	0.5
207.05081	2.0
207.07083	5.4
211.04300	0.7
213.06041	6.5
215.04016	0.6
215.07646	2.5
217.00151	0.8
217.05544	1.1
219.01822	1.1
219.07158	0.8
221.05049	17.8
222.05209	0.9
223.04741	1.0
225.06123	14.3
225.08174	3.5
226.06067	1.1
231.01463	0.6
231.03563	0.6
231.05403	0.6
231.07147	7.1
232.06870	0.6
233.08675	0.9
237.02838	1.4
239.06137	0.6
243.07042	3.1
245.05095	3.6
247.06590	1.9
249.02748	1.1
249.08273	6.5
251.04343	0.7
255.07080	1.5
259.06558	1.5
260.57889	0.6
261.02921	0.5
261.08200	11.6
263.09671	1.0
265.07663	0.8
273.08145	5.2
274.08606	0.6
277.03528	0.7
277.07642	0.9
279.09259	1.7
285.08139	2.0
291.09216	100.0
292.09387	6.9
303.01422	0.5
309.10297	31.6
310.10373	2.1
321.10391	1.0
332.11905	0.8
333.06601	0.6
351.11310	57.5
352.11563	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	351.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01850	0.3
55.05496	0.4
56.35015	0.3
57.03426	0.3
57.07061	0.3
58.96435	0.2
61.02926	0.2
63.76410	0.2
65.03926	0.6
67.05481	1.0
69.03417	8.2
69.07047	0.7
69.50996	1.9
71.04970	0.4
79.05472	1.0
80.12762	0.2
81.03403	2.1
81.07031	1.9
83.04941	0.4
85.02892	2.8
85.06522	0.5
91.04880	0.4
91.05464	8.2
93.07026	1.3
95.04948	0.5
95.08590	1.4
97.02879	2.2
97.10157	0.3
99.04427	1.4
105.06998	1.5
107.08566	1.3
109.02860	6.8
109.06491	0.6
109.10143	1.7
111.08067	0.3
117.06959	0.3
119.04924	20.8
119.08560	1.1
120.05251	0.5
121.10139	1.2
123.08065	0.5
123.11716	1.2
125.09589	0.4
127.03892	5.7
131.08562	0.2
133.06468	0.4
133.10107	1.1
135.08005	0.3
135.11659	0.6
139.03922	0.3
141.06920	0.2
142.07642	0.2
145.04929	0.6
145.10078	0.6
147.04385	100.0
147.11652	0.7
148.04713	2.6
149.09593	0.3
149.13141	0.2
151.11150	1.1
159.11708	0.4
161.09637	0.3
161.13216	0.8
163.11201	0.5
165.05441	0.5
165.12787	0.2
171.11737	0.3
187.05904	0.4
193.12059	0.4
200.17497	0.2
201.05457	0.3
203.06929	0.3
205.12263	0.3
227.12723	0.3
239.07042	0.3
267.06442	0.3
289.08487	0.3
291.08670	0.7
315.19659	0.3
315.23260	0.4
319.09616	0.5
323.05453	1.1
333.09445	0.4
333.16827	0.2
333.24356	1.1
351.04965	1.5
351.11969	1.2
351.18042	0.7
351.25604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89390	0.2
53.03928	0.3
55.01854	0.4
55.05499	0.7
57.03402	0.4
57.07071	0.4
65.03921	0.5
67.05488	1.2
68.48457	0.2
69.03426	1.0
69.07052	1.2
69.44340	0.6
69.44772	1.1
69.94610	0.2
71.04975	0.5
73.55418	0.2
79.05473	0.9
79.64219	0.2
81.03404	1.5
81.07045	3.4
81.92773	0.2
83.04961	0.7
83.08608	0.4
85.02881	0.7
85.06541	0.6
91.05470	8.3
92.05782	0.2
93.07039	1.9
95.04948	0.7
95.08598	1.8
97.02867	0.4
97.06538	0.5
98.20741	0.4
99.04436	0.7
99.08057	0.5
105.07019	1.9
105.46794	0.2
107.04948	0.2
107.08580	2.2
109.02866	2.7
109.06508	0.7
109.10140	2.1
111.04443	0.2
111.08065	0.3
111.11655	0.2
113.09648	0.2
117.06995	0.3
119.04927	23.1
119.08567	1.1
120.05248	0.4
121.06471	0.3
121.10122	1.8
123.08042	0.3
123.11687	1.8
124.03283	0.2
125.09605	0.4
127.03896	1.1
127.07554	0.5
127.11098	0.2
131.04922	0.2
131.08562	0.6
133.06538	0.4
133.10086	1.6
135.08035	0.4
135.11667	0.7
137.05963	0.4
137.13217	0.3
139.11147	0.5
141.06979	0.4
143.08618	0.3
145.10133	1.1
147.04388	100.0
147.11676	1.1
148.04727	2.6
149.09604	0.6
149.13242	0.4
151.10117	0.2
151.11113	1.2
156.09361	0.2
157.06517	0.4
157.10092	0.4
159.07983	0.2
159.11705	0.4
161.06018	0.3
161.09570	0.4
161.13223	0.6
163.11186	0.6
163.14769	0.2
165.05522	0.3
165.09058	0.4
165.12770	0.5
167.10631	0.2
169.04985	0.2
169.06387	0.4
169.12216	0.3
171.08067	0.3
171.11713	0.4
173.13278	0.3
175.14716	0.3
179.10649	0.6
183.11685	0.3
185.05913	0.6
185.13200	0.2
187.06087	0.2
187.07388	0.9
189.12671	0.4
191.10640	0.4
199.14835	0.3
203.06937	0.4
207.13760	0.4
211.07495	0.3
213.05444	0.7
227.07031	0.6
230.07137	0.3
231.06398	3.9
232.06903	0.2
245.09364	0.2
248.08200	0.4
255.06468	0.6
261.07547	0.2
273.07608	0.7
276.07538	0.2
291.09988	0.4
305.08112	0.3
315.15836	0.2
315.23303	0.5
319.09641	1.1
333.09711	0.3
333.16870	0.4
333.24200	1.8
336.09720	0.2
351.12125	1.8
351.17844	0.5
351.21127	1.3
351.25272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.1
55.05497	1.3
56.96289	1.7
56.96552	24.1
59.06107	1.1
61.02914	1.6
69.03423	5.7
69.69601	7.3
70.06572	1.8
71.04963	1.0
73.02895	1.7
79.01812	1.3
81.03384	3.2
83.04981	1.7
84.08109	2.6
84.96012	6.9
85.02892	10.7
85.39457	1.0
86.09678	1.3
87.04440	1.0
97.02888	5.1
98.20669	1.2
98.97569	83.4
102.97022	1.1
107.04917	1.2
109.02871	1.2
110.97566	9.7
112.07621	1.2
112.99107	2.0
116.98604	51.5
119.01894	1.7
124.99190	1.0
127.03876	4.2
128.98586	18.3
131.00122	4.2
134.98622	1.5
134.99632	25.6
137.05881	1.4
139.03879	1.1
140.00125	2.9
140.98566	1.3
143.00107	4.1
144.98073	2.3
145.01698	2.9
145.04919	1.5
146.99632	15.3
147.03223	6.1
147.04216	1.2
149.01189	4.1
152.98570	4.2
153.00697	2.2
153.01793	13.8
153.05441	1.4
154.01950	1.2
154.04926	1.7
158.01237	1.5
158.97459	1.4
158.99631	28.6
161.01170	9.6
162.99084	3.5
163.02789	5.6
165.00734	2.8
165.04317	8.7
170.99629	7.3
171.03247	1.5
171.04993	1.2
171.06395	1.2
172.05991	2.0
175.02721	1.6
177.00685	43.4
179.02315	2.4
189.00667	7.7
189.04343	11.9
189.06091	1.8
189.07779	1.3
193.03819	1.9
195.01721	4.3
200.02252	2.7
201.00661	2.5
201.04321	2.1
207.01625	1.1
207.05347	4.9
209.03032	1.3
219.01729	29.9
219.05067	1.5
225.56381	1.1
231.05354	3.7
234.98924	3.1
237.02782	63.9
238.03166	2.2
242.03300	1.4
243.05246	1.5
245.10716	1.5
249.06378	2.8
255.03893	4.9
260.04276	1.4
291.07431	39.0
307.00958	1.4
309.08508	100.0
310.08868	3.8
329.80850	1.0
332.10223	7.7
351.09549	67.2
352.09814	1.5
354.66623	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	16.9
57.03407	3.0
60.52745	1.1
61.02905	2.5
67.05470	1.6
69.03415	10.2
70.06570	1.3
71.04934	1.4
71.60892	1.4
71.61368	2.2
73.02865	2.5
79.01806	3.7
79.05457	1.3
81.03368	4.8
81.07016	2.0
81.26733	1.1
83.04944	1.9
84.08088	1.5
84.95984	3.9
85.02886	16.5
86.03213	1.7
86.09669	2.5
97.02879	11.4
98.03199	1.5
98.97569	100.0
99.04407	2.0
101.00834	5.0
103.02382	2.4
107.04899	2.1
108.69616	1.4
109.02824	4.7
110.97548	6.7
111.04355	1.8
112.99117	1.7
113.00831	1.7
115.02373	2.1
116.98605	62.5
119.01924	14.2
119.04909	1.7
120.01945	1.4
121.01633	3.0
121.03539	2.0
121.10115	1.3
123.05525	1.7
124.99107	1.3
125.02303	2.3
127.03899	5.9
128.97777	1.5
128.98584	13.4
129.03941	1.7
131.00186	2.3
131.01900	8.1
131.02756	1.9
131.08121	1.1
132.94704	1.3
133.03484	7.4
134.99632	29.9
137.02896	2.1
137.05907	3.0
139.03857	2.1
140.00153	3.2
143.00092	3.3
143.01831	5.0
143.03329	4.4
144.98001	2.4
145.01651	3.0
145.03461	9.5
145.04919	3.7
146.03516	1.9
146.99606	9.2
147.01334	3.0
147.03175	3.5
147.04959	3.4
149.01134	2.8
149.02911	1.7
152.98547	1.4
153.01819	39.6
153.02928	1.9
154.02081	4.4
155.01875	4.5
157.01582	1.9
157.03386	5.3
158.01180	1.9
158.99631	33.6
159.04906	3.7
161.01149	4.5
161.02902	7.3
162.05389	3.7
162.99025	2.8
163.02681	6.5
163.04370	2.0
165.00627	2.5
165.04276	4.7
165.06038	2.5
167.06985	2.9
169.03365	2.9
170.99533	4.6
171.01295	3.2
171.03146	4.0
171.04939	7.8
172.07446	1.5
173.02986	7.9
173.06544	1.4
175.02643	4.8
175.04385	3.3
177.00699	48.8
177.04086	1.9
177.05974	2.1
181.03392	2.1
183.04987	1.4
185.02902	2.6
185.06435	2.3
187.04372	2.7
188.09055	1.5
189.00635	4.1
189.02342	6.4
189.04265	14.9
189.06035	6.7
190.04895	4.7
195.01674	3.5
195.05148	1.3
197.03008	2.0
197.06461	1.8
199.08090	1.2
200.02269	2.6
201.00609	2.0
201.02415	1.8
201.05989	5.2
203.02258	1.6
203.03896	4.0
203.07704	1.5
205.00053	1.3
207.01663	1.4
207.03375	2.7
207.05270	5.5
207.07031	1.8
211.00806	2.4
213.06129	2.4
217.09081	1.8
219.01736	14.9
219.05133	1.6
221.03123	2.3
221.04979	8.6
223.04655	2.0
223.39618	1.4
224.57004	1.5
225.06056	2.8
231.03369	8.6
231.05333	3.5
231.07195	2.5
234.99097	1.6
237.02785	26.4
239.04242	2.4
243.03455	2.6
245.04921	5.1
247.06598	2.5
249.04356	3.3
249.08212	2.2
257.04959	1.9
259.06491	1.8
260.56674	1.7
261.08182	2.4
263.05988	1.4
269.12524	1.4
276.99854	1.4
281.05353	1.8
285.08228	1.8
289.07431	2.1
291.07004	19.1
291.09689	2.0
307.06458	2.5
309.08475	80.5
310.08588	1.7
320.18134	1.2
321.10126	1.5
332.10162	5.7
333.06494	2.8
333.10333	1.9
336.06580	3.5
351.09531	58.6
352.05667	1.9
352.10071	3.5
369.10391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2732
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05505	4.0
57.03425	0.7
57.07051	1.5
67.05499	5.3
69.06710	0.7
69.07060	9.5
69.66368	2.5
69.66791	1.0
71.04967	1.3
71.08582	0.6
73.06525	0.6
78.05611	0.4
79.05487	3.1
81.07043	8.7
83.04953	1.2
83.08605	3.9
85.06535	0.8
87.04461	0.5
91.05473	2.6
93.07032	5.3
95.08028	0.8
95.08596	8.4
97.06513	2.0
97.10158	0.6
99.99079	0.5
101.06000	0.5
105.07011	3.5
107.08588	4.9
107.17246	0.5
109.05775	0.7
109.06497	9.9
109.10148	3.8
111.08068	1.8
111.94990	0.4
117.07050	0.4
119.08566	3.5
121.06457	0.6
121.10110	3.4
123.08049	54.9
123.11671	1.9
124.08377	1.0
125.09628	0.6
131.08556	1.4
133.10092	2.5
135.08058	4.2
135.11703	2.4
137.09592	3.0
137.13196	0.5
142.59196	0.4
145.10121	1.4
147.11665	1.9
149.09595	1.4
149.13164	2.2
151.11194	0.5
157.10107	0.6
159.11673	1.5
161.13234	1.4
163.11128	0.6
167.14328	0.5
173.13246	1.2
177.12732	0.7
179.14287	10.8
191.14375	0.5
193.12305	0.5
232.38391	0.4
233.19020	1.0
275.20013	2.3
289.25275	1.1
293.21060	14.8
294.21674	0.5
307.22641	0.7
331.26315	2.9
349.27328	100.0
350.27722	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	350.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01851	0.8
55.05487	0.9
55.51168	0.6
57.03430	0.9
61.02899	2.3
62.08949	0.7
65.03928	3.5
67.05500	0.8
68.99778	1.5
69.03422	3.3
70.05914	3.1
73.02917	1.1
73.61471	0.7
81.03394	1.5
83.04967	2.8
85.02892	10.7
93.03402	1.2
97.02883	3.5
99.04470	0.6
109.02859	0.9
111.04429	24.2
121.03944	1.4
122.12572	0.6
127.03881	2.6
139.03888	70.9
140.04152	1.1
145.04915	2.6
156.04137	2.1
169.04898	0.6
171.06508	100.0
172.06863	1.3
180.08673	2.1
265.04544	0.7
277.57230	0.7
297.25546	0.6
303.35986	0.6
310.43475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2366
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.57039	1.6
53.03932	6.9
55.01867	14.7
55.05257	2.4
55.05504	36.2
57.03429	15.6
65.03928	5.1
67.05492	52.2
69.03410	6.0
69.06718	2.8
69.07059	39.7
71.04971	5.2
71.07436	3.8
77.04018	1.6
79.05482	92.9
81.03390	5.3
81.07046	57.1
81.87151	1.7
83.04968	9.0
83.08603	15.2
83.97704	1.9
85.02887	1.9
85.06525	5.8
90.72656	1.5
91.05468	54.8
93.06463	2.7
93.07035	48.0
95.01327	2.1
95.04943	12.4
95.08588	32.8
97.06522	18.7
97.10155	16.8
99.04439	1.9
99.08138	2.1
103.05476	2.5
105.07017	74.2
105.61941	1.7
106.07357	2.0
107.04944	19.4
107.08578	100.0
108.08930	3.1
109.06490	11.6
109.10135	25.5
111.05219	1.5
111.08073	6.0
115.05458	2.9
116.06201	1.7
117.07014	19.6
119.08557	37.0
121.06481	3.7
121.10136	20.7
123.08040	7.3
123.11702	5.0
125.09595	19.1
128.06206	1.8
129.06987	6.7
131.04820	1.8
131.08542	31.5
133.06512	2.5
133.10104	39.8
135.08009	8.4
135.11679	12.0
137.09610	4.9
139.07515	1.8
141.06964	3.8
142.07771	2.7
143.08557	9.6
145.06453	3.2
145.10103	84.6
146.10512	2.8
147.08125	2.3
147.11667	33.4
149.09596	27.0
149.13214	7.5
151.11159	5.0
152.20802	1.7
153.12810	2.8
155.08527	4.5
157.10098	7.7
159.11696	20.9
160.12234	1.9
161.09645	5.1
161.13231	9.5
163.11143	10.9
163.14818	2.6
165.09120	1.6
165.12769	2.1
167.07106	2.1
167.18352	1.8
169.10114	5.6
171.10335	2.8
171.11639	12.5
173.11845	3.1
173.13222	10.0
175.14755	3.6
177.12759	3.1
179.14268	5.7
181.10146	1.8
181.12141	2.6
183.11678	7.3
185.13243	5.3
187.11168	4.4
187.14810	3.8
189.11189	14.5
189.16377	6.5
191.14313	2.3
193.12134	1.6
195.11694	6.7
197.13229	6.7
203.14381	2.4
205.12115	2.3
211.11301	1.9
213.16371	2.7
215.14127	2.2
217.15950	2.0
229.15710	2.4
229.19528	3.6
235.11150	2.0
237.12617	1.8
239.17906	14.8
244.03871	1.9
247.20573	3.3
257.18970	54.0
258.19293	3.3
269.12314	3.4
275.20038	71.3
276.20316	4.0
293.20953	2.2
313.21667	2.8
331.19275	2.0
331.22711	12.7
349.23969	98.0
350.23672	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	349.2367
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03932	12.2
55.01866	19.1
55.05501	28.4
57.03429	21.3
65.03912	3.7
67.05495	75.5
69.03411	3.6
69.07060	71.3
70.29269	3.8
70.29662	3.2
71.04985	4.7
79.05481	58.8
81.03404	31.1
81.07043	84.1
83.04972	15.0
83.08607	18.4
85.06546	4.7
91.05468	77.9
93.07032	68.0
93.07619	3.7
95.01318	26.1
95.04954	25.6
95.08596	63.4
97.06512	35.3
97.10177	5.3
99.08085	1.7
103.05442	3.4
105.07014	96.0
106.07410	2.2
107.04938	46.4
107.08580	37.4
109.02894	2.3
109.06508	11.3
109.10146	17.1
111.04469	2.8
111.08084	6.3
115.05427	2.4
117.07011	22.1
119.08565	49.9
121.06517	7.4
121.10120	17.4
123.04438	3.8
123.08052	13.2
123.11724	5.3
125.09653	5.6
127.03984	1.9
129.07011	6.4
131.08551	41.0
133.06541	2.8
133.10109	67.1
134.10468	3.4
135.08083	7.9
135.11664	19.5
135.12569	2.2
137.09628	5.1
139.07556	4.2
141.07001	6.0
143.08484	7.9
145.06497	6.1
145.10112	30.3
147.08076	3.1
147.11674	27.3
147.12735	1.8
149.09593	15.5
149.13246	12.3
151.07635	2.1
151.11223	5.1
153.05470	1.8
155.08614	5.4
157.10161	6.1
159.08049	3.4
159.11676	26.5
161.09662	5.5
161.13226	10.0
163.11130	8.4
165.09204	3.9
165.12747	1.9
169.10172	7.3
169.58005	1.6
171.11736	5.8
173.13289	7.4
175.11163	2.1
177.12762	9.8
179.14284	29.1
183.11758	5.2
187.11137	11.8
187.14760	2.7
193.12440	2.6
195.11781	3.6
195.13722	3.9
197.13223	4.4
205.12387	3.2
211.14882	2.3
220.35828	1.9
223.13400	2.0
229.19583	2.1
233.15462	2.3
239.18044	5.2
241.14571	3.5
247.20615	4.9
257.18982	11.3
275.20029	100.0
276.20471	6.0
285.10062	2.6
293.21277	2.1
312.64908	2.1
331.22684	3.6
349.23862	85.8
350.24042	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	349.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.3
55.01860	14.4
55.05503	29.0
56.55161	1.4
57.03429	20.3
57.07066	2.7
65.03911	2.6
67.05495	75.3
69.03405	3.7
69.07059	47.7
71.04972	6.4
72.03140	1.3
79.05480	64.9
81.03407	12.3
81.07046	75.9
83.04974	14.7
83.08610	13.3
85.02875	1.7
85.06516	3.8
91.05470	68.5
93.07030	67.5
94.07365	1.8
95.01320	11.4
95.04955	17.3
95.08594	49.9
96.08982	1.5
97.06513	20.1
97.10149	5.2
98.21455	4.4
99.08086	2.1
101.06016	1.3
103.05469	2.5
105.07014	79.5
107.04939	23.1
107.08581	40.3
108.08920	1.8
109.06495	12.6
109.10140	23.3
111.08085	3.2
113.09566	2.1
115.05424	1.6
117.07008	28.3
119.08565	59.0
120.97666	1.4
121.06500	7.1
121.10126	23.5
123.04399	2.5
123.08058	13.8
123.11699	6.5
125.09596	3.8
128.06165	2.3
129.06995	5.4
131.04945	1.5
131.08548	31.6
133.06418	3.6
133.10112	59.8
134.10413	1.6
135.06438	1.5
135.08015	11.9
135.11671	14.3
137.09587	7.2
139.07539	1.5
139.11115	1.5
141.06944	3.1
143.08533	5.6
144.09244	1.4
145.06461	4.0
145.10097	24.3
147.07970	1.9
147.11668	30.0
147.12770	2.4
149.09584	15.6
149.13251	9.3
151.11127	3.6
153.06990	1.5
155.08531	3.6
157.10056	7.7
159.08028	3.6
159.11665	23.6
159.67245	1.4
161.13231	11.7
163.11162	5.9
163.14774	2.1
165.09184	1.6
165.12779	2.4
169.10112	4.6
171.11685	7.0
173.13228	9.4
175.11116	3.6
175.14713	2.2
177.12755	6.7
179.14296	18.3
183.11641	3.9
185.13214	3.3
187.11165	5.9
187.14789	4.3
197.13252	4.6
199.14903	1.9
201.12817	2.3
203.17732	1.5
205.12343	1.8
211.14685	1.9
219.13722	1.8
229.19490	4.4
233.15123	2.0
239.17911	8.3
247.20570	5.9
257.18979	13.9
267.06638	1.5
275.20029	79.9
276.20309	4.4
285.10202	1.6
303.99628	1.5
331.22577	3.3
349.23688	100.0
349.27301	4.9
350.23947	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	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	2.2
53.03934	17.1
55.01871	16.7
55.05259	2.4
55.05506	30.5
57.03431	21.3
57.07063	3.3
61.02906	3.0
65.03927	4.4
67.05498	80.3
69.03400	4.3
69.07063	71.9
69.39357	1.8
71.04955	4.9
71.62834	3.3
71.78044	1.7
73.02898	1.9
73.06549	1.9
77.03867	2.3
77.95412	1.8
79.05485	65.2
80.05764	1.9
81.03414	36.4
81.07048	100.0
82.07407	2.4
82.12373	1.7
83.04976	13.8
83.08617	13.8
85.02879	3.3
85.06523	4.8
91.03941	2.7
91.05473	74.5
93.07038	64.1
95.01311	24.0
95.04955	24.9
95.08597	71.2
97.02864	3.4
97.06519	25.3
97.10168	5.3
103.05442	3.3
105.07014	92.5
106.07387	2.0
107.04938	45.4
107.08582	35.4
109.06487	9.2
109.10136	15.3
111.08065	7.1
117.07004	22.7
119.08568	57.4
121.06502	10.0
121.10136	19.2
123.04414	6.0
123.08084	12.9
123.08798	2.2
123.11675	5.7
125.09590	3.4
128.56084	2.0
129.07002	4.4
131.08556	38.1
133.03429	3.1
133.06464	2.0
133.10115	66.2
134.10463	2.6
135.08032	7.9
135.11681	19.4
137.09586	5.6
139.07576	2.8
141.06940	4.8
143.01857	2.9
143.08566	6.8
145.06465	5.8
145.10092	28.7
147.07956	2.2
147.11655	28.1
148.04810	3.1
149.09607	11.6
149.13284	10.7
151.11169	3.2
155.08447	3.1
157.10095	8.6
159.11684	24.8
161.02925	2.6
161.13222	8.8
163.11166	8.8
169.10139	7.5
171.11800	7.2
173.13225	6.7
175.04503	2.2
177.12709	13.7
179.14325	30.0
183.11700	4.1
187.11188	10.5
190.12090	2.5
195.13988	2.3
197.13229	4.1
205.12250	3.2
207.13699	2.4
220.73737	2.0
229.19469	4.3
239.17966	3.0
241.14253	2.6
247.17006	2.1
247.20595	4.9
257.18961	10.4
269.14810	4.6
275.20026	89.6
276.20413	6.1
285.07523	2.9
293.20908	2.8
301.20004	6.9
349.23703	85.6
349.27420	5.2
350.24118	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	349.2367
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03938	15.2
55.01864	18.2
55.05256	2.2
55.05502	27.3
57.03182	1.8
57.03429	22.4
57.07038	2.5
65.03925	3.4
67.05494	73.8
69.03413	4.1
69.07057	73.2
70.80402	3.5
71.04961	4.5
79.05481	65.6
81.03407	33.2
81.07045	89.1
82.07381	1.8
83.04970	15.8
83.08597	13.5
85.02893	2.1
85.06509	3.0
91.05470	75.9
93.07030	67.2
95.01318	25.7
95.04965	21.4
95.08595	61.1
95.09155	1.3
97.06519	27.8
97.10171	6.9
99.08056	3.5
103.05423	2.1
105.07015	100.0
106.07327	1.9
107.04939	41.9
107.08583	32.3
109.06500	7.9
109.10124	13.9
111.08060	4.7
115.05463	3.7
117.07001	29.2
119.04903	1.5
119.08562	46.6
120.08961	1.6
121.06474	8.3
121.10109	13.9
123.04435	3.6
123.08060	9.9
123.11694	3.8
125.09611	4.8
128.06227	1.8
129.06981	4.8
131.08551	39.8
133.06451	2.7
133.10114	61.3
134.10446	1.9
135.08044	7.3
135.11668	14.7
137.09595	5.0
139.07513	2.7
141.06924	5.3
143.08521	7.2
144.09280	1.7
145.06439	6.2
145.10106	31.9
147.08034	3.0
147.11667	25.5
149.09578	11.4
149.13211	10.1
151.11169	3.6
157.10106	4.6
159.07993	4.5
159.11661	26.5
161.09628	3.2
161.13261	11.2
163.11191	7.8
165.09081	5.7
165.12685	1.8
169.10092	5.2
171.11659	4.6
171.78497	1.3
173.13203	7.2
175.11137	2.3
177.12694	10.0
179.14288	28.8
183.11681	3.7
185.13167	1.8
187.11142	9.0
187.14755	2.5
195.13718	1.7
197.13197	4.9
205.12172	4.0
213.55968	1.7
219.13748	3.4
229.19484	4.0
233.15450	2.0
239.17970	4.0
241.14267	4.8
241.16800	1.5
247.20624	3.6
253.13150	1.7
254.85399	1.4
257.19022	10.4
269.10529	2.1
275.20020	98.1
276.20447	3.7
285.10110	2.7
293.21024	3.0
331.22720	2.3
349.23694	78.3
350.23840	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	349.2368
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
50.05712	1.0
53.03930	3.5
55.01863	12.1
55.05504	28.7
56.96533	2.1
57.03428	13.5
57.07051	1.3
61.93028	1.1
65.03919	3.1
65.57520	1.1
67.05495	47.5
69.03402	4.7
69.07059	40.4
71.04971	3.2
73.06528	1.4
79.05483	58.6
81.03399	6.3
81.07049	60.6
83.04972	7.0
83.08611	13.0
85.02892	2.2
85.06514	3.2
91.05468	49.0
93.07030	43.3
95.04963	12.3
95.08595	34.5
95.09211	1.0
97.02895	1.3
97.06516	14.4
97.10157	9.1
99.08047	1.5
105.07017	56.6
107.04942	14.0
107.08581	61.0
109.06509	14.0
109.10145	17.7
111.08051	3.8
113.05958	1.1
113.09591	1.8
115.05408	2.3
117.07004	16.3
119.08569	35.8
121.06488	6.1
121.10119	15.1
123.08060	4.8
123.11672	4.6
125.05910	1.1
125.09623	10.1
128.06149	2.1
129.05411	1.1
129.07031	6.6
130.07744	1.3
131.08551	27.5
133.06493	1.7
133.10107	38.3
135.08006	4.7
135.11650	11.3
137.05991	1.2
137.09581	4.5
137.13164	1.1
139.11133	1.3
141.06946	3.6
142.07724	1.5
143.08546	8.3
144.09268	1.5
145.10104	47.9
147.07988	2.4
147.10490	1.4
147.11665	27.6
149.09612	15.5
149.13214	5.4
151.11133	3.4
155.08549	3.7
155.10664	1.5
157.10088	6.8
159.11662	20.5
161.09584	2.4
161.13248	9.3
163.11150	11.3
163.14767	1.6
165.12746	2.3
169.10088	5.0
171.11671	10.4
173.13208	10.1
175.11145	1.6
175.14783	2.5
177.12749	4.8
179.14317	6.2
183.11702	5.7
185.13257	4.6
187.11177	3.8
187.14737	2.4
189.11253	7.6
189.12724	1.9
189.16429	6.5
197.13216	4.9
199.11078	1.2
199.14821	1.6
201.12772	1.5
205.12207	1.7
211.14859	2.2
213.16350	2.3
215.17976	1.4
217.15884	1.8
229.19527	4.6
239.17917	10.3
247.20609	3.2
257.18994	34.4
258.19348	2.3
275.20013	57.9
276.20364	4.3
285.09827	1.3
293.21024	2.4
313.21518	1.5
331.22681	7.5
349.23703	100.0
350.23917	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	349.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
53.51385	2.4
55.01860	2.8
55.05506	8.6
57.03422	7.9
58.99579	5.0
59.04995	4.0
61.02912	6.4
67.05492	7.1
69.03426	19.1
69.07072	11.4
71.04987	33.7
71.61581	4.3
73.02915	3.5
76.02245	3.0
79.05496	8.7
81.03422	10.3
81.07050	100.0
82.07404	2.8
83.04961	5.8
84.04498	37.5
85.02898	61.9
85.06541	2.8
86.00672	3.0
86.99052	3.5
87.02684	16.2
91.03915	2.7
91.05481	3.4
93.07023	7.1
95.04953	4.1
95.08596	7.4
97.02891	16.8
97.06532	7.7
98.09681	2.7
99.04473	5.5
99.08075	13.3
105.00080	5.0
105.06995	3.7
107.08595	17.1
109.02878	8.7
109.06497	4.0
109.10155	18.4
111.08058	5.8
113.06010	2.6
115.78728	2.4
121.06497	3.4
121.10130	3.8
122.02722	34.5
123.11698	32.1
127.03906	15.4
127.07555	3.3
127.11169	2.3
130.04970	8.9
132.01126	8.7
133.10164	4.3
137.05925	2.5
139.11148	11.1
141.12767	2.1
145.04970	10.0
149.05904	2.5
151.03914	4.0
151.11168	44.6
153.12718	3.4
157.12195	10.6
157.88396	2.2
158.85519	2.3
159.04744	5.0
159.11664	2.3
169.12230	88.2
174.09410	4.1
177.03340	7.4
187.13295	32.5
202.08949	47.1
203.07423	9.9
205.62227	2.0
220.09972	16.3
229.09819	3.1
239.96826	2.1
242.11726	2.8
243.11789	2.6
267.11209	2.8
271.10840	2.3
285.12384	3.3
313.11752	6.0
331.12851	18.1
349.13971	34.1
349.18066	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	349.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.2
67.01404	0.9
68.75320	1.0
68.98257	1.0
69.03405	6.0
69.98772	4.8
73.02882	1.3
74.16164	1.1
81.03354	1.2
82.99854	1.4
85.02902	11.0
91.22263	1.1
97.02859	4.7
98.21494	1.3
98.97588	1.7
101.00859	11.0
109.02882	1.2
113.00822	3.2
119.01142	1.4
119.01902	21.4
120.01945	1.4
127.03875	3.6
131.01886	15.8
133.03419	4.3
137.02895	3.1
140.86577	1.0
143.01886	6.1
143.03439	1.1
144.99731	1.1
145.03391	1.9
145.04883	3.3
147.05009	2.0
149.02905	2.9
153.01816	8.1
155.01883	5.0
157.03380	2.2
161.02943	8.4
167.06877	1.5
168.99835	7.6
169.03398	1.3
171.05009	1.2
173.02943	8.9
177.56177	1.6
180.99814	2.5
185.02869	3.2
187.00876	8.9
187.04483	3.9
187.08054	2.2
191.03894	2.0
193.03665	1.2
196.99245	3.1
197.03038	1.1
199.00807	3.6
201.02379	2.1
203.03992	2.7
213.02394	1.3
214.98447	1.5
215.00349	19.1
219.03438	2.5
219.07132	1.0
221.05031	3.3
223.06583	1.2
229.01869	7.0
229.05396	2.1
241.01805	1.4
245.04964	3.1
247.02975	21.0
248.03062	1.1
257.49271	1.1
259.02914	6.5
259.06418	1.5
260.06436	1.2
270.04419	1.8
277.03986	1.9
277.07520	1.5
289.03851	4.9
289.07510	3.1
289.10953	1.0
307.08658	1.6
317.03253	2.0
321.10370	1.5
349.08774	100.0
350.09091	1.9
364.65842	1.1
367.10928	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02342	0.9
52.35860	0.8
52.49171	0.9
53.03935	1.2
55.01865	2.8
55.05493	1.4
56.05011	0.9
56.96551	4.3
57.03437	4.7
57.03672	0.9
60.04509	0.9
61.02922	6.1
67.05487	2.3
67.85417	0.8
69.03426	16.4
70.06569	3.0
71.04959	1.3
71.61885	1.9
73.02902	4.3
74.06056	0.9
79.01852	2.6
79.05481	1.2
81.03398	8.2
81.07051	1.6
82.99863	1.1
83.04970	1.8
84.04513	1.1
84.08139	1.3
84.96014	1.6
85.02896	33.3
86.03218	2.1
86.09707	3.0
87.04471	2.7
91.03952	2.0
91.05495	1.3
93.07032	1.0
94.06556	5.7
95.04964	2.0
96.08150	0.9
97.02875	16.3
98.03249	1.3
98.97578	3.9
99.04457	3.8
101.00881	2.8
101.02350	0.9
106.06567	1.6
107.04934	1.7
108.04463	2.4
108.08118	3.2
109.02867	5.8
110.06033	4.4
112.07585	1.4
113.00858	1.2
115.02404	1.4
115.03916	1.5
116.98602	3.8
117.03996	1.3
119.01904	11.2
119.04958	2.1
120.01976	1.5
121.01601	0.9
122.06017	33.7
123.04423	3.1
123.06814	9.7
123.08167	1.1
124.07591	3.4
125.02380	2.5
127.03914	11.1
128.04251	0.9
128.98550	1.3
131.01907	5.2
133.03439	2.2
134.06004	2.6
134.99663	1.7
136.06178	18.2
136.07568	3.3
137.02959	1.7
137.05949	8.8
137.08360	1.1
138.05486	31.8
138.06512	1.9
139.03874	1.4
140.07051	3.2
143.00203	1.4
143.01901	7.7
143.03407	3.5
145.03462	5.0
145.04915	6.0
146.03648	1.3
146.99657	2.4
147.04314	6.0
149.02966	1.2
150.05490	53.1
151.03923	1.5
151.06282	13.6
152.07068	6.9
153.00537	2.3
153.01810	47.9
154.02136	3.3
154.08643	1.6
155.01915	2.8
157.03419	2.6
158.06078	1.1
158.99673	1.6
159.05060	1.7
160.06584	3.8
160.56624	1.3
161.01393	1.9
161.02956	8.3
161.06514	1.2
162.03038	1.2
163.04480	1.0
163.08221	1.0
165.05431	1.6
166.08630	1.5
167.02074	1.0
167.07037	3.8
168.06546	73.6
169.03467	4.7
169.04962	2.5
169.07185	2.7
170.08081	3.2
171.03081	1.2
171.05023	2.4
173.02933	5.7
176.08197	20.8
177.00667	2.3
177.04205	2.3
179.07076	3.4
181.03328	1.2
184.06149	1.3
184.09673	1.9
185.01285	1.3
185.02985	3.0
185.06599	2.4
186.07736	23.4
186.14902	1.6
187.04472	11.4
187.08138	1.6
188.08191	25.4
189.06465	1.2
193.00233	1.9
193.09290	1.2
195.05080	1.5
196.04695	1.5
197.02982	2.8
199.04555	1.6
203.04042	4.1
203.09285	11.0
204.07994	1.0
205.05533	1.9
206.19983	1.2
210.05962	1.1
211.00880	1.4
214.06079	20.8
215.00504	1.5
217.05664	2.0
219.01897	2.7
221.05101	5.3
222.03574	1.3
222.05522	1.4
223.04590	1.3
227.04073	1.8
229.02010	1.3
229.05621	3.4
229.09135	1.3
231.08862	2.4
232.07204	2.3
237.02835	3.7
237.06055	1.7
239.04214	1.8
243.10806	1.3
245.05090	4.4
246.07820	1.0
247.02747	1.5
247.06694	2.6
249.02238	1.0
253.01927	2.8
253.18361	1.1
259.05798	1.9
259.08386	2.9
260.06421	1.5
261.08380	1.1
263.06271	1.9
265.08029	1.5
267.07614	1.2
268.05423	3.4
271.06992	1.3
275.06204	1.2
277.09491	1.2
287.09988	1.1
289.07895	2.1
302.12247	3.1
303.07507	2.3
303.10861	25.2
307.08719	2.8
313.04126	1.8
319.12415	7.5
320.12473	1.3
330.11884	5.4
340.11093	1.3
348.07272	5.8
348.12967	100.0
349.10239	6.8
349.13467	3.5
366.07898	1.5
367.10812	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.8
57.07050	12.2
61.64478	3.6
65.40396	2.9
67.05495	29.1
69.03407	5.6
69.06716	4.8
69.07058	61.5
71.04966	4.6
71.08621	5.2
79.05486	20.5
81.03393	6.3
81.07047	100.0
83.04989	4.3
83.08615	32.7
85.06512	9.2
91.05457	14.5
93.07019	24.2
95.08595	90.9
97.06510	4.4
97.10148	22.5
98.21526	5.9
99.08076	9.7
105.07035	18.2
107.04933	8.7
107.08585	26.6
109.02876	4.8
109.06484	4.6
109.10139	54.2
111.08060	6.2
111.11706	18.7
119.08521	11.8
121.06458	6.0
121.10125	17.1
123.04472	5.2
123.11702	32.0
125.13255	15.5
127.03832	3.3
129.07034	5.6
131.08537	5.3
133.06450	7.8
133.10126	11.1
135.11659	12.0
137.05980	9.8
137.13217	25.1
140.80516	3.2
147.04379	6.6
147.11607	4.8
149.13225	30.0
151.07515	11.1
151.14793	7.1
155.14268	7.2
157.10153	3.8
159.11624	6.4
161.05914	7.3
161.13309	4.1
163.14774	10.7
165.16353	8.2
167.07018	15.4
167.08293	4.1
167.14278	18.3
171.11671	5.2
173.13292	3.9
175.07506	18.5
178.06157	4.2
179.17862	7.2
181.08562	11.7
193.08578	12.7
193.19450	3.9
275.27353	20.5
293.28317	35.9
301.09927	3.7
308.31979	3.5
329.09848	4.4
329.21045	8.9
347.14511	14.6
347.18463	4.3
347.21863	17.7
347.26022	4.7
348.25488	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	347.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43433	3.4
53.03919	5.3
55.01870	6.5
55.05508	25.5
57.07064	19.8
67.05499	29.6
69.03413	5.0
69.07062	63.3
69.14964	3.5
70.91141	8.3
70.91499	7.0
71.04988	4.7
71.08596	5.1
72.08107	3.4
79.05496	20.3
79.05875	4.0
81.03396	5.1
81.07049	100.0
81.08080	3.3
81.15508	3.4
83.04967	4.9
83.08615	31.8
85.06521	8.3
86.67525	3.1
91.05453	13.2
93.07034	29.1
94.75024	3.3
95.04956	6.4
95.08597	93.9
97.06496	6.7
97.10143	19.8
99.04415	4.5
99.08083	10.2
103.01707	3.1
105.07008	23.6
107.04919	6.5
107.08578	29.2
109.02856	5.1
109.06541	3.4
109.10147	64.9
111.08027	5.8
111.11700	20.1
111.57011	3.4
117.06974	3.9
119.08542	16.9
121.06477	6.1
121.10152	18.0
123.04448	3.5
123.11697	32.3
125.13246	14.4
129.06961	5.2
131.08554	8.9
133.06447	4.6
133.10114	9.5
133.98146	3.3
135.08005	4.0
135.11652	14.3
137.05933	12.7
137.13272	23.1
143.08519	6.2
145.06450	4.1
145.10094	7.8
147.04364	6.8
147.11678	6.3
149.05928	3.8
149.09608	3.6
149.13214	27.5
151.07500	6.7
151.14851	7.9
153.05475	6.5
155.14465	3.6
159.11667	6.2
161.09575	3.7
161.13147	4.4
163.07481	7.0
163.11108	4.0
163.14796	7.5
165.05592	3.6
165.16440	6.2
166.07721	3.4
167.07027	12.0
167.10648	4.1
167.14323	10.7
173.13197	3.4
175.07538	10.2
177.16324	6.3
181.04900	7.7
181.08508	6.0
183.11728	5.6
193.08551	4.1
193.12086	5.2
203.17749	4.5
213.16364	4.3
227.17828	3.8
255.17416	5.3
275.27310	5.3
293.28372	25.7
301.10458	6.3
303.12213	5.1
304.14423	4.7
329.09888	5.6
329.21066	8.2
329.28296	4.1
347.10938	8.1
347.14563	11.3
347.18387	4.4
347.21982	18.4
347.29486	8.3
348.28961	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	347.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	26.5
57.03437	6.0
57.07052	12.4
59.04969	3.6
60.07077	3.3
61.02890	5.8
67.05499	37.1
69.03429	7.6
69.07056	53.0
71.04987	6.3
71.08614	3.7
71.62552	6.1
79.05483	21.1
81.03389	5.9
81.07041	100.0
83.04977	7.1
83.08599	35.7
85.02874	5.2
85.06522	9.6
91.03883	3.4
91.05472	20.0
93.07021	38.1
95.04958	7.0
95.08595	95.4
96.30874	4.1
97.02784	4.5
97.06506	6.4
97.10168	23.4
99.08057	11.0
103.05432	4.0
105.07007	24.5
107.04942	8.0
107.08578	36.0
108.08877	4.0
109.02831	3.6
109.06483	4.5
109.10139	56.1
109.54078	3.7
111.11704	17.4
117.06984	9.2
119.08562	23.4
121.06525	6.7
121.10115	26.8
123.08025	7.6
123.11683	29.8
125.09655	5.3
125.13254	14.6
127.03884	4.7
129.06929	5.3
131.08536	14.5
133.10097	13.6
135.07979	8.3
135.11662	15.0
137.05952	8.8
137.09622	4.8
137.13226	30.6
139.07465	4.3
143.08495	4.9
145.10066	16.0
147.04411	5.7
147.08044	8.2
147.11670	5.9
149.09583	7.3
149.13266	22.2
151.07529	15.8
151.11182	4.7
151.14812	12.7
155.14322	4.0
157.10065	5.4
159.08054	4.5
159.11658	7.7
161.09508	4.5
161.13203	9.7
163.11111	5.8
163.14772	7.2
165.05351	4.0
165.16333	7.1
167.07045	11.7
167.14197	8.7
171.11653	5.4
173.09593	4.1
173.13158	6.5
175.07484	9.8
175.14815	5.8
175.47359	3.5
181.08607	8.3
185.13210	3.3
187.14790	4.9
189.16331	6.2
210.06581	3.7
241.16049	3.8
251.11200	5.3
269.08163	4.0
269.12335	19.3
275.27304	10.1
292.13855	4.7
293.28299	28.9
301.10370	4.0
311.23648	3.9
311.29572	6.9
329.17365	5.1
329.21011	12.5
329.24582	5.6
335.52206	3.6
347.15009	7.2
347.22037	16.7
347.25592	20.0
348.14877	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	347.2577
Annotation	7beta-Methoxydeoxocryptojaponol
Peak:m/z	Relative Intensity
53.03929	0.6
55.01859	0.7
55.05488	1.2
57.07047	0.4
57.93531	0.5
67.05501	1.7
69.07063	2.5
69.66597	2.4
72.93774	0.7
79.05482	2.1
81.07049	3.8
83.08592	1.0
88.07631	0.4
91.05469	4.0
93.06469	0.5
93.07034	8.4
95.04952	1.2
95.08596	5.3
97.06519	3.4
105.07035	2.1
107.04902	0.8
107.07851	0.7
107.08581	12.6
107.21918	0.3
109.06489	1.1
109.10138	2.3
111.08059	1.6
113.96412	1.7
116.97217	2.0
118.96738	0.4
119.08553	2.5
121.06493	16.6
121.10130	5.8
121.90455	0.3
122.06871	0.7
123.04384	0.5
123.08053	0.6
123.11655	0.6
125.05981	0.6
125.09595	0.4
129.06981	0.7
131.08586	0.5
131.97429	1.3
133.10086	4.0
135.08017	0.9
135.11662	2.1
137.09576	0.6
139.07524	30.5
139.98781	3.0
140.07851	0.4
141.98322	0.4
145.10095	1.1
147.11661	1.1
149.05919	0.4
149.09581	1.0
149.13329	0.4
154.98984	2.0
159.11641	1.1
161.13235	0.8
163.11130	1.0
163.14809	9.5
164.15181	0.4
167.07060	1.3
167.10660	5.1
171.11725	0.4
171.97766	0.4
173.13248	0.7
175.07562	0.7
175.14824	0.7
181.08589	0.8
181.12206	1.0
189.16325	0.7
193.04936	0.4
193.12094	0.4
201.16412	0.6
202.16640	0.3
203.18018	1.7
204.18246	0.4
207.08069	0.4
213.16301	0.5
248.17741	1.9
248.20003	0.4
265.10797	0.6
273.18625	0.4
299.31387	0.4
301.25024	0.6
311.23776	0.7
321.11258	0.3
329.24829	1.0
347.25763	100.0
348.26135	5.5
348.29938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2575
Annotation	7beta-Methoxydeoxocryptojaponol
Peak:m/z	Relative Intensity
51.20847	0.2
53.03929	0.6
55.01857	0.5
55.05501	0.8
59.95006	0.3
65.03918	0.3
65.63725	0.2
67.05492	1.9
68.51520	0.2
69.03398	0.4
69.07063	2.4
71.04985	0.4
79.05483	2.5
81.07050	4.5
83.04965	0.3
83.08603	1.3
85.06525	0.5
91.05471	3.5
93.07032	6.5
95.04960	1.6
95.08595	4.8
97.02885	0.3
97.06512	0.7
97.10155	0.4
98.20734	0.4
99.08077	0.4
103.05465	0.5
105.07018	1.5
107.04929	0.5
107.08580	12.1
108.08891	0.3
109.02844	0.3
109.06494	0.9
109.10138	2.5
111.04451	0.4
111.08064	0.5
117.06965	0.3
119.08563	1.7
121.06489	20.8
121.10124	6.3
122.06806	0.3
123.04417	0.3
123.08078	0.6
123.11694	0.9
125.05962	0.4
125.09605	0.8
129.06975	0.5
131.08566	0.5
133.10110	1.1
135.08037	0.4
135.11684	2.3
137.05963	0.4
137.09552	0.4
137.13242	0.5
139.07521	30.8
140.07846	0.7
145.10092	1.3
147.04437	0.5
147.07991	0.5
147.11699	0.6
149.05952	0.3
149.09622	1.4
149.13251	0.6
151.07544	0.6
151.11177	0.3
153.05421	0.4
157.10126	0.5
159.07986	0.3
159.11649	0.5
161.13240	0.4
163.11205	1.3
163.14799	11.4
164.15152	0.5
165.12692	0.3
167.07008	0.9
167.10657	7.0
171.11703	0.3
173.11719	1.2
173.13109	0.5
175.07527	1.0
175.14806	0.3
181.08543	0.7
181.12181	1.3
185.13185	0.3
186.99008	0.2
189.16377	0.4
191.17947	0.7
194.62424	0.3
195.11829	0.3
203.14355	0.3
209.13477	0.3
210.19034	0.2
213.16502	0.4
224.68324	0.3
269.10635	0.3
295.22525	0.4
311.19922	0.4
329.21085	1.1
329.24521	0.3
329.28055	0.3
347.25763	100.0
348.26083	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1484
Annotation	CHEMBL1668115
Peak:m/z	Relative Intensity
53.03937	2.1
55.01871	3.2
55.05514	1.9
56.82780	1.8
57.03420	5.8
64.63486	1.7
65.03909	2.4
67.05486	2.9
69.03436	3.4
69.07066	2.8
70.09541	9.8
71.04957	3.0
79.05479	13.1
81.03400	2.6
81.07037	3.1
85.02879	7.1
91.05473	25.1
93.07026	17.3
95.04964	10.7
95.08585	4.0
103.04832	1.5
103.05437	10.7
105.07018	8.6
107.04939	32.1
107.08601	3.1
109.02914	2.1
109.06503	3.2
109.10142	4.6
117.06992	6.0
119.04940	8.0
119.08586	8.3
120.55364	1.7
121.06484	24.4
121.10133	2.4
122.03635	3.0
123.04406	16.2
123.11719	2.6
124.05206	5.0
125.06005	3.6
127.03876	2.9
128.06215	4.6
129.06990	24.6
131.04950	6.4
131.08556	5.8
132.05692	3.0
133.02849	4.9
133.06476	7.4
133.97977	2.2
135.04417	5.1
135.08005	3.3
137.05960	25.7
138.03127	3.1
139.03896	2.3
140.04671	6.4
141.12715	3.3
143.04922	2.5
145.06467	5.6
147.03204	4.3
147.04390	86.5
147.08018	23.3
148.04861	3.4
149.05963	32.5
151.03922	3.2
151.07552	7.3
152.04720	3.9
152.06114	2.5
153.05431	19.4
153.06693	2.8
154.06310	2.1
155.07042	4.6
157.06454	20.2
160.05177	3.5
161.05983	8.6
163.07550	10.6
165.05432	7.5
165.06975	6.6
166.06219	5.8
167.07031	87.8
167.08414	4.9
167.10760	2.6
167.14336	7.8
168.07355	2.8
168.86020	2.1
173.05948	3.2
175.07527	100.0
176.07848	4.7
177.06979	3.2
179.06969	10.6
179.08452	2.3
180.07777	12.9
181.06757	3.9
181.08568	73.0
181.10168	3.6
182.07242	2.7
183.07957	3.0
185.15385	5.6
189.09087	3.2
191.08565	3.3
193.06731	3.8
193.08575	32.3
194.07190	3.1
195.08018	10.1
197.06023	2.5
197.09590	3.3
197.25060	1.7
198.06709	3.8
207.08098	2.4
208.08873	2.2
209.05974	4.5
210.06816	4.0
211.07521	5.7
213.05403	2.5
213.09163	3.2
219.08073	3.8
221.06003	3.3
221.09752	2.4
222.06758	2.6
223.07538	8.4
223.11220	5.1
225.05664	2.4
225.09120	6.7
226.06166	3.1
227.06918	2.7
233.09569	3.0
236.08267	3.5
237.05569	2.8
237.09135	2.4
239.07092	7.6
240.07855	2.8
241.08594	6.6
243.10100	6.7
251.00157	1.8
251.07076	4.7
251.10728	7.1
253.08630	5.6
254.05882	2.1
254.09328	3.4
255.06328	2.1
256.07303	3.5
265.08533	4.8
268.07178	2.3
269.08047	9.5
269.11655	5.1
271.06949	2.7
271.09576	15.5
272.10300	2.3
279.10138	4.5
283.09680	5.4
283.13248	3.5
285.11142	3.1
288.09793	5.1
297.11200	9.0
299.09003	2.3
300.09769	4.6
301.10641	30.1
302.11111	1.8
303.12195	10.8
311.12827	6.9
314.11353	2.2
317.14008	2.2
329.13885	15.2
347.15067	32.6
347.21362	2.4
348.14865	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	347.1484
Annotation	CHEMBL1668115
Peak:m/z	Relative Intensity
53.03939	3.2
55.01854	8.3
57.03423	2.8
59.05016	1.7
60.71871	1.7
65.03930	2.5
67.05473	5.4
68.32519	1.5
69.03413	8.4
69.07053	3.4
71.01804	2.7
71.02149	4.0
71.04984	5.5
78.04718	2.6
79.05478	17.0
81.03407	7.1
81.07038	7.3
83.04163	1.6
83.04971	5.2
85.02899	6.0
91.05463	26.3
93.07037	15.6
94.77343	1.8
95.04968	13.1
95.08573	3.5
97.02887	4.5
97.06503	3.4
99.04462	4.4
103.05444	11.6
105.03384	3.0
105.07008	12.4
107.04941	31.8
107.08572	9.6
109.02859	3.7
109.06536	3.3
109.10092	1.8
111.04388	3.2
113.05950	2.5
115.05423	2.1
116.06241	2.1
117.07016	5.1
118.71494	1.9
119.04917	8.7
119.08543	6.0
121.06490	28.4
121.10123	6.0
122.03609	2.4
123.04395	15.4
123.07983	2.0
124.05188	3.5
125.05953	5.0
127.03907	3.9
127.07546	2.3
128.06210	5.0
129.06981	30.0
131.04933	7.0
131.08571	7.1
133.02831	4.3
133.06458	6.1
135.04382	6.9
137.05963	37.6
139.11191	3.2
140.04672	3.8
141.05432	2.2
141.06946	3.1
143.04843	2.2
145.06479	3.7
145.08582	6.3
145.10190	2.0
147.04393	60.6
147.08029	19.3
148.05109	2.9
149.05960	28.4
149.09616	4.9
150.06770	2.2
151.03882	4.8
151.07532	10.2
152.04657	3.3
152.06161	3.6
153.05437	19.5
153.06654	3.3
155.07054	5.3
155.08513	2.6
157.05107	2.8
157.06485	20.3
159.08043	2.6
160.05180	3.9
161.05984	10.7
163.07526	13.8
165.05470	9.4
165.06984	7.4
166.06226	6.5
166.07585	2.5
167.07034	90.7
167.08527	7.3
167.10672	6.6
168.07346	2.0
169.06441	2.5
170.07227	2.4
171.08047	2.2
175.07523	100.0
176.07864	2.3
177.06941	3.8
177.09076	3.6
178.04877	2.7
179.07072	8.5
179.08453	3.2
180.07819	13.0
181.05063	2.7
181.06516	6.9
181.08580	76.5
181.10155	5.0
182.07246	4.7
182.08824	2.0
183.08058	3.2
185.09570	2.1
185.11710	6.2
189.09047	5.2
191.08533	4.7
193.04836	2.8
193.06920	2.9
193.08611	19.0
194.07211	3.8
195.08034	14.1
197.05869	4.3
197.09531	2.0
198.06720	4.4
203.10634	3.7
207.10094	2.2
208.08789	4.5
209.05969	3.9
210.06725	3.7
211.07477	8.9
212.08440	2.6
213.05290	3.5
213.09030	5.0
218.07257	2.4
219.08076	5.4
221.06104	2.0
222.06779	2.9
223.07471	8.4
223.11122	4.1
225.09073	6.4
226.06201	5.3
227.07033	2.9
237.05389	4.6
237.09076	4.6
239.07031	7.6
240.07709	3.1
241.08452	8.4
243.06541	2.8
243.10133	7.3
247.07504	3.1
251.07018	6.5
251.10674	8.5
253.08591	6.6
255.06523	2.5
257.07959	2.6
258.43201	2.0
265.08484	2.7
269.08096	10.9
269.11588	4.1
271.09586	16.8
273.11127	4.3
279.10095	3.8
283.09628	5.7
283.13263	5.8
285.07986	2.6
285.11063	4.2
286.08130	2.4
288.09906	6.4
297.11102	8.6
301.10696	30.1
303.12222	12.2
311.12732	3.8
315.12122	3.2
317.13626	4.2
329.10654	2.0
329.13809	17.7
347.11548	7.4
347.14825	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	347.1483
Annotation	CHEMBL1668115
Peak:m/z	Relative Intensity
53.03933	2.8
55.01860	5.4
56.50657	2.4
65.90849	2.3
67.05478	4.6
69.03409	4.7
69.07043	2.7
71.35752	6.2
79.05473	19.3
81.07018	6.3
91.05476	29.1
93.07044	19.2
95.04948	8.9
95.08591	3.0
103.05441	12.4
105.07003	7.6
107.04944	42.7
107.08580	6.1
109.06511	3.1
111.04414	3.6
115.05404	5.2
117.06976	8.9
119.04917	10.6
119.08558	4.8
121.06483	37.6
121.10185	2.5
123.04413	20.8
124.05192	11.7
125.05973	3.0
128.06230	7.5
129.06978	35.1
131.04918	8.6
131.08537	6.7
132.05663	3.1
132.08046	2.5
133.02791	2.8
133.06465	7.9
135.04370	9.4
135.08005	5.4
137.05949	39.8
139.07539	6.2
140.04590	5.9
145.06454	7.0
147.04384	73.3
147.08009	22.1
149.05963	26.2
149.09502	2.7
151.03845	5.7
151.07501	15.3
152.04643	4.6
153.05441	24.5
153.06866	5.1
157.06509	17.7
160.05164	4.4
161.05917	10.0
163.03865	2.9
163.07541	26.3
165.05464	16.2
165.06953	7.0
165.09152	3.7
166.06192	12.3
166.07594	4.4
167.07036	98.6
167.08423	6.0
168.07449	2.8
175.07526	100.0
177.09134	4.6
179.07040	6.8
180.07762	8.5
181.05098	3.0
181.06511	7.9
181.08578	82.1
181.10152	5.8
182.07198	3.5
185.06009	2.8
190.07669	3.4
191.06868	5.9
191.08469	3.8
193.06560	4.5
193.08582	16.5
194.43970	2.8
195.08032	10.6
197.09628	6.2
198.06683	7.0
200.32550	2.3
205.06488	3.4
208.08694	4.2
209.05992	4.8
210.06664	6.2
211.07535	6.9
213.09052	3.0
219.07965	5.7
222.06743	4.2
223.07494	10.8
223.11165	3.3
225.08980	8.7
226.06165	9.1
227.07085	3.4
236.08359	3.2
237.05431	3.8
237.09105	4.8
239.06923	10.7
240.07780	3.9
241.04996	3.4
241.08563	13.4
243.10126	9.3
251.07068	5.5
251.10658	7.7
253.08549	8.5
253.11450	2.7
255.06374	3.1
256.07318	4.7
265.08578	4.2
267.06543	4.9
269.08090	12.5
269.11505	5.7
270.08771	3.0
271.09579	16.4
279.10010	3.9
283.09711	5.7
283.13208	5.1
285.11041	5.2
288.09811	7.8
297.11148	8.4
299.09079	9.9
301.10687	28.7
301.13791	5.1
302.11438	2.8
303.12189	11.3
311.12595	4.8
315.11871	5.0
317.10056	3.2
329.10303	3.5
329.13745	23.5
347.10925	3.3
347.14755	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1483
Annotation	CHEMBL1668115
Peak:m/z	Relative Intensity
53.03939	2.0
55.01847	4.4
65.03909	1.8
69.03409	4.1
69.88483	9.9
77.09496	1.7
78.04691	2.0
79.05487	13.8
81.07040	2.7
90.03080	1.2
91.04962	1.9
91.05476	25.8
93.07038	14.2
95.04971	7.9
98.21448	1.7
103.05460	9.3
105.07021	8.4
107.04944	35.1
109.06484	2.7
111.04410	2.3
115.05413	2.3
117.06970	4.1
117.58371	1.3
119.04903	7.0
119.08556	4.2
119.84523	1.4
120.05689	1.5
121.06490	30.7
122.03638	2.2
123.04409	18.7
124.05178	4.7
125.05943	3.6
128.06195	7.3
129.06998	32.2
130.07274	1.9
131.04886	6.3
131.08527	7.7
132.05661	2.4
133.02873	4.2
133.06435	5.4
135.04388	4.9
135.08011	2.9
137.05945	22.9
139.03868	1.6
140.04599	2.7
141.06961	2.3
143.08476	1.6
145.06477	6.2
147.04399	47.3
147.08052	16.0
148.05138	3.1
149.05962	29.7
149.07095	2.8
151.03857	4.0
151.07507	8.8
152.04645	5.4
152.06142	3.7
153.05479	20.0
153.06834	3.2
154.06252	2.4
155.07030	4.0
155.08501	1.5
157.06482	21.4
160.05170	4.8
161.05969	11.7
163.07565	10.2
165.05461	5.9
165.06970	8.9
166.06293	8.7
166.07590	2.7
167.07024	100.0
167.08443	5.7
168.07430	2.3
171.08005	3.7
175.07527	98.7
176.04707	2.1
176.07968	1.6
177.05443	2.2
177.06940	3.6
177.09071	2.8
179.06973	6.9
179.08510	3.7
180.07776	12.3
180.09103	1.9
181.06516	6.8
181.08571	88.7
181.10016	3.4
182.07219	3.6
182.08879	1.8
183.07985	3.0
185.05937	1.8
189.09077	3.5
191.08546	5.4
193.06671	2.9
193.08571	14.5
194.07249	2.7
195.08057	16.4
197.06046	2.3
197.09552	5.1
198.06683	6.2
199.07402	2.5
205.06450	2.7
207.07953	2.8
208.08762	4.1
209.05959	3.7
209.09483	2.0
210.06696	3.7
211.07549	8.8
212.08214	2.5
213.05508	3.0
213.09079	3.3
219.08090	7.3
219.09953	2.0
220.08763	1.7
221.05940	3.3
222.06668	3.8
223.07535	9.7
223.11121	1.9
224.08110	2.5
225.09021	6.2
226.06126	4.2
227.06969	3.2
228.07654	2.8
233.09525	3.2
235.07457	3.1
236.08308	3.6
237.05424	5.1
237.08931	4.8
239.06956	6.3
240.07703	3.4
241.04811	1.9
241.08739	7.3
243.10176	5.8
247.07555	3.7
251.07059	4.7
251.10593	7.0
253.08418	4.8
255.06580	1.9
255.10033	3.2
256.07190	3.1
257.11697	2.0
264.07742	2.0
265.08585	4.0
268.07123	1.8
269.08029	11.4
269.11673	5.1
271.09561	17.7
279.10147	6.4
283.09592	6.6
283.13199	6.5
285.11093	2.0
288.09732	7.5
297.11072	6.9
299.12598	1.6
300.09711	2.7
301.10532	25.8
301.13696	1.9
303.12207	9.7
311.12692	3.3
314.11285	2.9
315.11551	4.1
329.13815	18.7
347.14688	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	347.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65508	3.8
53.03930	7.2
53.12297	4.0
56.96549	12.3
57.03419	17.2
61.02911	22.3
63.02187	3.5
65.05945	4.1
65.65447	3.4
69.03415	41.4
69.83712	22.4
70.03762	5.6
71.04973	8.7
73.02888	12.4
81.03415	20.8
84.08139	7.2
85.02893	82.0
85.03413	5.2
86.03223	4.7
87.04453	5.3
88.99108	4.3
91.03928	9.1
97.02876	43.9
98.03176	5.3
98.21423	5.3
98.97572	28.6
99.04417	10.3
101.00845	6.1
101.06001	5.0
108.08051	9.5
109.02872	7.6
110.97547	7.7
116.07938	4.3
116.98604	14.6
119.01882	19.0
123.06759	5.0
127.03898	36.1
128.98570	6.3
131.00140	4.3
131.01917	9.1
133.03467	5.7
134.99622	5.6
136.06178	6.1
136.07465	5.7
137.08220	6.9
138.05464	11.9
138.08810	4.6
143.01894	9.0
145.01622	6.1
145.03452	10.7
145.04953	14.6
147.03947	7.9
149.07867	6.7
150.05513	11.6
152.07039	6.5
153.01834	6.2
155.01857	6.3
157.03479	6.4
158.99625	9.0
159.04993	9.9
161.02898	11.3
163.02698	8.8
163.04478	9.0
163.06140	4.6
166.08644	23.8
167.08955	31.5
168.06544	12.8
171.05022	14.3
173.02966	9.4
176.05055	21.7
176.06102	20.2
177.00743	8.7
177.02522	4.0
177.04172	8.6
178.04712	4.1
184.09682	42.4
185.06578	12.4
185.10072	54.8
189.04373	6.7
189.06097	5.2
190.95284	4.9
193.05515	6.3
201.00731	6.4
203.04037	5.9
204.05595	5.1
207.07111	6.7
213.05045	6.4
219.01802	18.3
221.04979	14.9
223.05069	4.3
225.08073	4.8
227.57767	10.3
228.07635	9.1
235.06473	8.2
237.02844	10.2
244.09178	4.8
245.05051	6.7
248.07349	5.7
256.57486	4.9
257.01611	4.6
257.07996	14.2
259.06412	4.0
261.08188	7.9
263.02753	8.4
265.57681	9.9
266.08426	23.6
274.97559	7.8
279.09280	8.6
284.41861	4.0
292.09543	5.0
305.03799	6.4
326.53918	3.9
338.10507	7.7
347.07288	100.0
347.11151	11.8
347.15186	59.6
348.06989	4.7
348.12872	9.6
351.11475	24.7
352.11679	4.5
365.07779	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	346.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
55.01864	4.9
55.05503	20.7
57.03415	5.0
57.07071	2.2
59.04981	4.8
65.03911	1.9
67.05494	57.4
68.05809	2.0
68.98991	1.8
69.03401	4.4
69.07058	20.7
69.54108	8.0
69.54533	5.7
71.04971	3.4
79.05478	22.9
80.05828	2.1
81.07043	46.8
83.04952	5.2
83.08604	18.0
85.02910	1.8
85.06521	5.0
91.05470	19.4
93.07028	27.5
95.04975	8.0
95.08590	28.4
97.06501	7.9
97.10172	12.8
98.21466	2.2
99.08091	2.3
105.07007	15.2
106.07359	1.7
107.04913	5.1
107.08575	35.8
109.02878	2.2
109.06479	2.1
109.10144	56.4
110.10483	2.5
111.08045	6.0
113.74379	1.8
117.06965	5.3
119.08564	16.9
121.06478	5.3
121.10126	13.3
123.04469	1.7
123.08056	4.3
123.11690	4.4
125.09608	14.3
129.06960	3.2
131.04898	2.9
131.08525	7.8
133.10103	16.2
135.08023	4.2
135.11690	6.5
137.05957	11.5
137.09601	6.0
138.06340	4.1
139.03894	2.0
139.11089	2.3
143.08487	2.1
145.10068	7.8
147.04483	3.8
147.07986	3.6
147.11658	6.9
149.09572	7.1
149.13222	9.6
151.11169	2.4
155.10660	11.4
157.06357	2.0
157.10054	3.0
159.11649	9.9
161.13211	4.7
163.11201	4.5
167.07002	6.4
173.11720	100.0
173.13167	4.5
175.07520	6.4
177.12733	3.3
179.14299	3.3
181.08615	4.8
189.11186	15.1
193.12181	2.2
195.13770	20.7
201.12708	2.4
213.14772	13.0
213.16286	1.4
215.17780	2.0
227.07172	1.7
239.06662	2.2
239.17952	2.2
240.07368	1.8
253.08014	1.9
257.18967	6.2
270.08423	2.8
275.20013	51.0
276.20480	3.0
292.12750	1.8
293.21066	15.5
296.10089	3.8
300.09448	5.2
300.13043	3.9
314.11087	8.9
315.11874	2.2
328.12540	4.1
329.13782	2.0
329.21088	2.8
346.13513	15.4
346.24088	3.3
350.71939	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01842	1.3
56.05025	3.2
56.96560	2.9
57.03436	2.6
59.04977	0.4
61.02925	3.0
67.05479	0.6
69.03423	9.4
69.40386	2.9
70.03746	0.4
70.06577	0.8
70.98101	0.4
71.01330	0.5
71.04960	1.1
73.02911	3.9
79.05499	0.5
79.20301	0.3
81.03413	3.6
83.04952	1.2
85.02892	18.8
86.03217	0.9
86.09690	0.4
87.04469	1.8
91.03937	1.3
95.04947	0.4
95.07343	0.4
96.08122	0.5
97.02270	0.5
97.02882	7.6
98.03217	0.4
98.20689	0.6
98.21370	0.9
98.70534	0.3
98.97571	4.9
99.04443	1.9
101.00851	1.0
106.06523	0.3
107.04965	0.3
108.08099	1.4
109.02869	1.8
110.09659	1.6
110.97535	0.7
111.04429	1.0
112.99106	0.7
113.03522	0.8
115.02392	0.6
115.03888	0.5
116.98602	3.5
117.05322	0.4
119.01907	3.7
120.01983	0.4
120.08088	1.2
121.01548	0.4
122.03065	0.3
122.06043	0.5
123.06796	1.5
124.07567	1.1
125.03465	0.5
127.03896	6.2
128.04227	0.7
128.98576	1.0
131.00136	0.7
131.01863	1.9
132.03464	0.7
133.01625	0.5
133.03456	1.3
134.05992	0.6
134.99606	1.0
136.07559	11.3
137.02940	0.3
137.04509	0.5
137.08347	11.2
138.05478	1.9
138.09148	3.0
140.04988	0.4
143.00131	0.4
143.01912	1.7
145.01680	0.4
145.03386	2.0
145.04971	3.9
146.04988	1.1
146.99652	0.4
147.05008	1.0
148.03885	1.1
148.07553	10.6
149.02934	0.6
149.05904	0.5
150.05360	0.5
152.07060	0.9
153.00674	0.4
153.01797	0.8
153.02937	0.4
153.07773	0.5
154.02000	0.4
154.08635	1.5
155.01854	2.4
155.05530	0.4
157.01694	0.5
157.03474	1.3
158.99706	0.5
159.04990	0.7
160.04880	0.3
161.01242	0.4
161.02933	2.7
161.05580	0.8
161.55771	0.4
163.02779	0.7
163.04416	1.1
166.05002	3.5
166.08618	46.8
166.53442	0.3
167.05394	1.1
167.06993	0.5
167.08914	1.2
169.03473	0.6
169.05212	0.5
170.99551	0.5
171.05054	1.5
172.97568	0.4
173.02963	3.1
173.06558	0.5
174.03020	0.3
175.02803	0.5
175.04449	1.3
175.07016	0.7
176.04808	0.4
176.06145	0.9
177.00897	1.7
177.02438	0.4
177.04259	0.5
177.06049	0.3
178.01108	0.7
181.03596	0.5
183.04988	0.9
183.07695	0.5
184.06367	2.8
184.09663	100.0
185.01300	0.5
185.02954	1.6
185.06702	0.6
185.10088	1.8
186.99016	0.3
187.00981	0.5
187.04515	0.9
189.00751	0.5
189.06085	1.2
190.95407	0.8
190.98755	0.7
191.03969	0.5
192.98645	0.4
193.05490	0.4
197.02864	0.5
197.05537	0.7
201.00818	0.7
201.06049	0.7
203.02385	0.6
203.03999	1.3
203.07646	0.5
205.03767	0.8
205.05467	0.6
208.96530	0.4
211.04565	0.5
212.05199	0.3
212.07008	2.2
212.57185	0.9
214.06204	0.4
214.08199	2.6
214.98689	0.3
215.03996	0.7
216.98688	0.5
218.03752	0.3
219.01883	2.4
219.07220	0.8
220.02084	1.0
220.07558	0.4
221.01649	0.6
221.05069	2.2
223.04691	0.9
227.04128	0.5
227.07640	5.4
227.57736	0.9
228.07512	0.6
230.98227	0.4
232.96353	1.5
232.99721	0.6
234.06548	0.6
235.06598	0.7
237.02713	1.6
242.08139	0.6
242.58266	0.9
243.05901	0.5
243.08177	1.0
244.02084	0.7
245.01700	0.5
245.05165	2.6
246.05186	0.5
247.06822	1.6
248.07594	0.4
250.07132	0.5
250.97522	0.8
255.07033	0.3
256.02283	0.7
256.07532	4.2
256.57565	0.6
257.01569	0.5
257.05402	0.4
257.08154	0.7
259.06680	0.6
261.02972	0.4
262.03250	0.9
263.06259	0.5
264.06839	0.6
264.57141	0.5
265.07523	4.5
265.57776	0.9
266.08456	0.6
274.03268	0.8
275.03189	0.6
275.06046	1.3
281.01871	0.7
283.09497	0.5
286.07312	0.7
291.09134	0.7
301.07635	0.5
303.01495	0.3
304.08344	0.7
305.03931	0.4
305.07440	0.5
316.14008	0.7
321.10300	0.5
328.13745	0.6
346.14951	52.1
347.07333	6.5
347.11285	0.7
347.15118	2.3
349.09634	1.3
349.13443	0.3
351.11209	1.0
364.05527	0.6
364.97116	0.3
365.07986	1.1
367.09796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13661	0.4
53.03926	0.5
57.39653	0.4
60.04509	0.8
61.02911	0.9
68.99734	0.4
69.03435	2.5
69.42641	4.0
71.96429	0.4
77.03941	0.5
79.05482	12.5
81.03410	0.9
84.04514	0.4
85.02892	9.8
91.05461	0.6
97.02863	2.1
97.61512	0.4
103.05447	3.5
105.07011	1.5
107.04939	100.0
108.05287	1.8
109.02861	1.3
127.03893	1.4
131.04910	23.4
132.05237	0.8
137.05940	0.8
145.04955	1.9
149.05963	74.3
150.06311	1.9
154.63840	0.4
163.06007	0.9
172.91789	0.4
184.09656	0.6
270.91699	0.5
293.10242	1.1
346.25604	0.9
358.19067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05058	0.9
61.02887	1.1
69.03416	3.2
69.07056	1.9
69.97113	5.0
70.06585	9.0
70.08189	1.0
73.02893	1.7
79.05478	1.3
81.03440	1.3
85.02895	10.9
86.09713	10.8
87.04448	1.7
91.05495	1.1
93.07021	1.6
97.02873	1.4
98.20798	1.2
103.05426	1.7
107.04934	2.8
109.02861	1.9
110.03248	1.1
116.06441	1.1
116.07084	11.6
119.04903	1.6
120.08070	1.6
121.06528	4.6
123.04413	3.1
124.07526	1.7
124.16985	1.1
127.03896	2.3
131.04921	1.5
137.05971	1.3
138.06348	1.6
138.09120	8.2
145.04922	3.7
145.54016	1.0
148.07518	7.5
149.05989	7.3
152.06128	1.9
153.06979	6.7
155.03278	1.2
155.08522	1.3
165.06969	4.6
166.04987	2.8
166.08667	23.0
167.07065	2.9
167.08519	25.6
171.08023	10.3
177.06970	19.3
178.07727	4.2
179.07016	1.9
179.08539	4.8
181.06505	3.2
181.10121	1.5
182.07037	1.1
183.08032	3.0
184.00554	1.3
184.05940	1.0
184.09720	5.1
190.07733	2.4
191.08527	18.1
192.08984	1.1
193.10059	2.2
194.07248	8.7
195.08023	48.4
196.08464	1.9
197.09682	2.5
199.07515	12.0
202.07761	1.4
205.06499	3.4
207.06259	1.1
207.07912	5.2
208.08737	4.0
209.06056	1.5
209.09552	4.3
213.09081	2.4
218.07246	1.2
219.08014	34.4
220.08401	2.2
221.09619	3.1
222.09068	1.4
223.07520	23.5
225.09071	3.0
227.07010	10.7
234.25005	1.0
235.07385	1.5
237.09081	48.9
238.09393	2.7
240.10011	1.6
241.08562	39.9
247.07475	2.5
251.06993	4.4
254.11758	4.0
259.09595	1.0
265.08575	9.0
269.08002	5.6
283.09619	100.0
284.09879	4.2
287.09094	21.0
300.12262	49.7
301.12595	2.1
311.09055	1.1
324.12384	1.2
328.13559	1.1
329.10150	78.6
330.10361	3.2
341.11487	1.4
346.12857	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	345.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01854	5.8
55.05503	14.7
57.07065	12.0
57.76568	1.6
59.04990	2.7
65.03922	3.5
67.05501	29.9
68.87375	1.6
69.03400	3.2
69.07056	48.2
71.04978	4.4
71.08622	3.7
79.05479	18.9
81.03384	2.0
81.07045	100.0
82.07385	1.8
83.04951	3.3
83.08612	16.2
85.02892	2.2
85.06529	12.2
85.10188	1.8
87.80762	1.7
91.05458	13.2
93.03389	2.4
93.07021	29.5
95.04951	4.5
95.08594	70.2
97.06540	4.2
97.10149	8.9
97.40170	1.5
99.08078	7.2
103.05445	6.1
105.07009	16.4
107.04929	5.4
107.08581	34.6
109.02820	2.9
109.06484	3.8
109.09444	3.3
109.10144	42.9
110.10500	2.8
111.04394	7.5
111.08073	10.7
111.11691	9.9
115.05444	3.8
117.07003	3.5
119.04930	2.4
119.08579	12.8
121.02909	2.4
121.06496	3.7
121.10116	20.7
123.08076	3.9
123.11689	34.4
125.09647	4.2
125.13189	2.7
125.25456	1.8
127.03909	2.7
129.07010	3.6
131.04901	12.0
131.08463	3.1
133.02783	2.7
133.06454	3.3
133.10130	5.1
134.05972	3.3
135.08002	3.2
135.11668	19.6
137.05952	22.9
137.09598	2.9
137.13225	22.5
138.06279	1.9
139.03897	5.1
139.11125	5.4
141.06972	2.3
141.12714	1.9
143.08554	1.8
145.06442	6.0
145.10107	3.1
147.04382	2.0
147.08017	2.9
147.11650	13.6
149.05954	1.9
149.13240	19.1
151.03891	4.6
151.07518	9.2
151.14711	3.1
153.05365	3.1
153.12718	8.4
155.14233	5.7
157.06404	3.0
159.11703	2.6
160.08803	3.0
161.05923	5.3
161.09558	2.8
161.13219	4.2
162.06670	2.5
163.07574	10.1
163.14793	9.5
165.05626	2.5
165.06989	4.6
165.09082	5.2
165.12773	8.7
167.03392	2.2
167.07031	4.4
167.08461	2.9
167.14349	3.4
169.06409	3.4
171.08092	2.9
171.13805	3.0
172.03984	2.2
173.05959	2.1
175.07510	7.4
175.11066	1.9
175.14760	3.0
176.04657	3.8
177.05508	1.9
177.09030	5.2
177.16379	8.5
178.07719	4.3
179.08420	3.6
181.04939	4.5
181.06483	4.7
182.07257	2.8
183.08078	2.9
183.13786	4.5
188.08243	2.9
189.09195	1.9
191.07039	12.5
191.17982	3.3
193.06467	2.3
194.07310	1.9
195.08034	4.7
196.08548	2.6
197.05896	4.4
197.09528	2.5
198.06815	4.4
199.07445	2.6
203.10655	4.8
203.17963	3.6
204.06535	2.0
205.19518	2.3
206.07162	2.5
207.07985	6.2
209.06039	2.7
210.06769	6.2
211.07478	7.7
211.11201	1.9
212.08235	2.0
213.05476	3.2
213.09076	2.7
216.04202	1.8
217.19481	4.2
221.09584	2.7
221.18967	1.9
222.06694	2.0
223.07510	6.1
224.08296	5.6
225.09033	5.3
226.06183	4.9
227.06972	4.0
235.07385	3.2
237.05322	2.7
237.09036	2.5
238.06232	3.5
238.09848	2.5
239.06914	13.7
239.10637	7.3
240.07710	5.5
241.04958	2.6
241.08542	7.8
243.06520	5.8
251.07018	5.1
252.07811	3.8
253.08583	8.3
254.09290	2.4
255.06500	5.0
256.07297	7.0
257.07709	2.7
261.25809	2.8
263.06952	2.1
266.05896	1.8
267.06778	3.5
267.10107	18.1
268.07230	4.6
268.10663	2.1
269.08057	10.3
270.08902	3.9
271.06219	1.7
271.09579	5.1
273.25772	5.0
277.08337	2.2
279.26678	3.9
281.07947	4.3
281.11554	2.3
283.06061	2.5
283.09445	2.0
284.06775	3.5
284.10321	6.0
285.07880	1.9
285.11145	9.7
286.08240	6.6
291.26733	15.2
295.09555	6.8
296.10172	5.1
298.08221	2.4
299.05756	3.7
299.09094	49.8
299.12741	14.6
300.09467	5.0
300.12845	3.2
309.27765	8.1
313.07529	1.8
313.10641	43.1
314.11063	6.5
317.13763	2.5
327.12219	41.1
327.15979	3.1
328.12610	3.7
345.09955	3.4
345.13281	70.4
345.16443	2.8
346.13858	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	345.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82692	1.1
52.72365	1.1
53.03925	2.2
55.01857	4.7
55.05500	13.7
57.03419	2.9
57.07063	8.6
59.04983	2.0
63.56293	1.2
65.03921	2.8
67.05156	2.5
67.05491	23.0
69.03399	5.1
69.07058	37.8
70.22554	1.1
71.04972	4.1
71.08618	4.0
79.05483	19.0
79.94734	1.4
81.03397	4.6
81.07045	91.1
82.07381	1.9
83.04984	3.4
83.08611	14.4
85.02873	3.9
85.06526	9.1
91.05464	13.1
92.05762	1.5
93.03386	1.7
93.07030	28.7
94.04185	1.3
95.04947	4.6
95.08593	67.0
96.08901	1.4
97.02892	1.8
97.06510	6.7
97.10160	6.0
99.08079	7.2
99.28812	1.3
103.05452	6.7
103.83475	1.3
105.07012	14.8
107.04925	5.9
107.08575	31.3
109.02857	4.1
109.06494	4.7
109.10139	48.7
110.03613	1.5
111.04439	6.5
111.08078	12.6
111.11690	6.7
115.05430	4.2
117.06992	3.5
119.04891	3.6
119.08558	12.1
121.02861	2.5
121.06483	5.3
121.10132	17.6
122.03652	4.3
123.04398	3.9
123.08064	3.6
123.11695	39.7
125.05949	4.4
125.09609	5.7
125.13252	2.0
127.03840	2.8
127.07550	1.3
130.04099	1.7
131.04907	13.5
133.02838	3.4
133.06447	4.4
133.10110	5.0
135.04443	2.7
135.08014	3.5
135.11664	17.6
137.05956	62.8
137.09592	6.2
137.13239	23.8
138.06332	2.6
139.03848	5.9
139.11134	3.8
140.07059	1.8
141.12770	1.5
143.04924	3.5
143.08525	1.7
145.06471	2.3
145.10086	3.1
147.04370	5.7
147.08055	3.2
147.11676	11.7
149.05954	4.2
149.09357	1.3
149.13226	15.1
149.51785	1.6
151.03889	12.6
151.07538	10.0
151.14813	3.6
152.06160	2.4
153.05478	4.3
153.06976	4.7
153.12720	9.5
155.10712	1.7
155.14252	2.7
159.04442	2.3
159.07996	1.8
159.11670	1.7
161.05952	4.0
161.09633	2.1
161.13235	5.0
162.06741	1.9
163.03899	6.5
163.07520	9.8
163.14751	8.9
165.05548	3.1
165.06979	7.1
165.09035	7.9
165.12767	11.0
165.16408	1.7
167.03334	1.5
167.07013	16.5
167.08449	3.0
167.14229	2.4
168.05623	2.0
169.06459	2.7
171.13884	1.7
173.05995	1.4
174.06592	1.6
175.07549	6.6
175.14746	2.4
176.04720	2.1
177.05438	4.0
177.09088	9.0
177.16374	5.4
178.07745	3.6
179.07072	2.8
179.08533	9.8
179.17984	3.0
181.04898	5.7
181.06485	8.3
181.08522	2.7
182.07227	4.3
183.07983	4.3
183.13788	8.4
188.08302	1.5
189.06966	1.8
189.16365	2.9
191.07019	17.6
191.17880	3.4
193.06474	2.7
193.08615	4.6
193.10144	1.6
194.07256	2.6
195.06508	20.7
195.08049	4.5
195.09747	1.5
196.08812	2.6
197.05925	5.2
197.09599	2.4
198.06639	3.8
203.06950	3.3
203.10634	1.5
203.17964	2.9
204.06482	2.2
205.06598	2.7
205.19576	2.7
206.07233	5.1
207.08044	12.7
209.05911	4.2
209.09976	1.3
210.06729	8.6
211.07446	8.8
213.05444	2.5
213.09109	3.9
217.19414	3.7
221.06062	2.8
221.07961	3.1
222.06725	2.3
223.07550	7.1
224.08214	7.1
225.05482	2.5
225.09036	7.7
226.06267	5.6
227.06976	4.3
229.22867	1.3
234.06758	2.6
235.07458	10.5
235.20465	1.5
237.05443	3.3
238.06160	3.2
239.07011	13.3
239.10602	7.4
240.07646	3.4
241.04897	2.0
241.08578	7.5
243.06430	2.7
243.10098	2.0
249.09105	3.4
251.06897	4.2
252.07840	6.7
253.08496	6.9
254.05629	2.0
254.09569	2.3
255.06396	6.8
255.10210	2.3
256.07217	5.1
257.11874	1.8
261.25735	1.9
263.06970	4.2
265.08554	2.1
267.06689	3.6
267.10129	19.1
268.07285	1.7
269.05389	1.7
269.08078	10.1
270.08722	4.9
271.02524	1.4
271.05942	5.9
271.09341	2.9
273.11203	2.2
273.25699	4.7
277.08548	3.1
279.26764	4.7
280.07217	2.7
281.07919	3.7
282.08548	2.2
283.09634	3.8
284.06888	4.2
284.10172	2.8
285.07809	1.9
285.11127	18.2
286.08286	6.0
286.11444	2.2
287.01764	3.0
291.26785	17.1
295.09595	24.8
296.10263	3.9
297.07611	2.1
297.10947	1.8
299.01871	3.5
299.09113	45.5
299.12772	19.9
300.09485	4.5
301.10583	2.5
309.11032	2.5
309.17038	1.8
309.20547	2.3
309.27951	7.2
312.09875	5.4
313.10638	53.7
314.04144	4.1
314.11246	9.4
315.01306	3.8
315.12140	4.0
317.13675	8.5
327.12189	32.2
328.12576	4.3
330.03647	7.6
345.06390	27.9
345.13263	100.0
346.06287	4.2
346.13608	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	345.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.05495	14.3
57.07064	8.9
58.74745	2.9
59.04998	5.1
67.05501	18.4
69.03429	3.6
69.07059	54.8
69.07442	3.4
71.04969	6.4
71.08623	3.5
71.35700	6.3
79.05476	17.5
81.03403	3.7
81.07044	100.0
82.07339	3.2
83.04959	3.2
83.08606	21.4
85.02895	7.1
85.06525	10.3
91.05470	9.4
93.07027	25.0
95.04945	5.7
95.08593	69.3
97.06519	5.3
97.10152	7.2
99.04436	3.7
99.08102	6.2
103.05479	5.1
105.07010	17.5
107.04946	5.4
107.08580	26.6
109.02849	2.7
109.10139	46.0
111.04417	9.8
111.08076	7.7
111.11671	12.8
117.06967	3.2
119.08535	12.9
121.09468	2.2
121.10139	20.3
123.04435	2.8
123.11686	49.1
125.05968	4.2
125.09615	5.9
127.07509	2.8
131.04913	10.6
133.06558	2.9
133.10086	6.5
135.11658	18.5
137.05946	43.2
137.09657	3.7
137.13213	23.8
138.06248	2.9
139.03900	4.0
139.11151	6.2
140.07016	3.0
145.06500	4.0
147.04169	3.0
147.11674	11.6
149.05927	3.1
149.13222	22.2
151.03880	7.4
151.07515	6.0
151.14798	5.2
153.05421	6.7
153.12755	11.0
155.08589	2.6
155.14282	10.5
157.10165	2.6
160.35124	2.8
161.05937	2.6
161.09532	3.1
161.13173	3.4
163.07542	5.7
163.11102	2.9
163.14803	13.4
165.06886	3.8
165.09116	8.2
165.12703	3.7
165.16367	4.0
167.07028	7.3
173.13162	3.1
175.07515	5.7
177.09015	3.4
177.16371	7.3
181.05008	4.4
181.06482	4.3
182.07234	4.8
183.13838	3.1
191.06999	14.9
191.17966	4.1
193.06590	2.6
193.08507	2.5
198.06699	3.7
203.10683	6.4
203.17999	4.2
207.08041	4.6
210.06779	3.9
211.07413	4.8
216.09329	2.8
217.19525	3.0
221.11728	11.5
223.07480	6.4
224.08257	6.0
225.09181	3.5
235.07387	4.6
237.05516	2.9
238.06017	2.8
239.06972	7.7
239.10666	4.4
241.08499	5.4
251.06998	4.1
252.07877	2.8
253.08528	5.4
254.09331	3.2
256.07144	4.1
261.25742	5.3
266.36844	2.8
267.10123	10.4
268.07312	3.5
269.07941	6.6
270.08597	5.0
271.09586	3.8
273.25684	14.5
279.26752	10.9
285.11133	5.0
286.08609	6.0
291.26797	23.4
295.09628	6.6
299.09122	32.0
299.12802	7.2
309.27832	10.9
313.10623	42.6
314.11487	8.9
327.12198	27.6
327.23148	4.1
328.12747	3.4
345.09537	3.5
345.13260	64.3
345.24295	6.6
346.13538	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	345.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62219	2.0
53.03929	2.6
55.01854	3.6
55.05499	12.6
56.96584	1.8
57.07053	8.0
60.04511	2.6
65.03917	2.0
67.05495	21.0
69.03407	4.6
69.07056	42.8
69.82806	10.3
71.04975	4.5
71.08606	5.3
73.63145	1.7
79.05479	18.1
81.03427	2.7
81.07043	100.0
82.07384	2.2
83.04995	2.2
83.08604	14.1
84.39527	2.4
85.02871	3.5
85.06518	14.7
91.05470	8.3
93.07021	31.5
95.04926	2.5
95.08591	77.8
97.06506	4.4
97.10152	7.8
98.20813	2.2
99.08083	9.7
103.05453	6.2
105.07020	10.8
107.04942	5.1
107.08573	29.8
109.02866	5.2
109.06454	2.7
109.10138	54.2
111.04459	3.2
111.08041	6.4
111.11703	6.8
115.05357	2.5
117.07005	1.8
118.04156	2.2
119.04890	2.8
119.08524	6.2
121.06463	3.4
121.10131	21.5
123.11679	43.3
125.05952	2.3
125.09585	3.7
125.13270	3.3
127.11204	2.4
131.04883	9.1
131.08525	3.0
133.02911	2.2
133.06436	2.1
133.10107	5.5
133.56216	1.7
135.07990	1.8
135.11685	19.0
137.05957	27.6
137.09593	5.0
137.13246	24.4
138.06204	2.0
139.11121	5.4
140.07048	2.4
141.12738	2.9
145.06424	2.7
147.04373	3.9
147.07889	1.9
147.11694	8.3
149.13234	25.3
151.03903	5.4
151.07547	4.5
151.14790	3.8
152.06120	1.9
153.12724	9.7
161.05940	2.4
161.09543	2.0
161.13161	5.1
163.03827	2.2
163.07498	6.9
163.14772	9.2
165.06902	4.3
165.12709	5.2
166.07556	2.1
167.07057	4.4
167.14236	3.3
175.07449	2.8
175.14940	2.3
176.04617	2.0
177.09032	8.6
177.16382	8.2
179.06979	1.8
179.08537	2.6
179.17966	3.7
181.04939	4.2
181.06357	3.8
183.07884	2.0
183.13696	3.9
189.16371	1.9
191.07019	12.1
191.17873	3.4
191.48425	2.1
195.08122	3.9
196.08900	1.8
197.05887	3.8
203.06969	3.1
203.17964	2.4
205.19490	8.3
207.08055	4.2
208.86241	2.2
210.06750	4.2
211.07442	5.0
217.19472	4.5
222.06743	2.1
223.07466	5.7
223.20496	9.8
224.08255	4.4
225.09081	5.7
226.06293	2.3
227.06989	3.1
235.07549	5.6
237.05380	3.0
238.06236	2.8
239.06935	8.5
239.10675	3.9
240.07678	3.1
243.06427	2.3
249.09021	2.9
251.07130	3.0
252.07579	2.5
253.08620	3.6
255.06616	3.3
256.07040	3.2
263.06888	3.0
267.06677	2.8
267.10144	6.6
269.07965	3.6
270.08713	2.4
271.06256	2.4
271.09543	3.9
273.25726	7.0
279.26749	4.0
281.08026	4.1
283.09549	2.4
284.06827	2.3
285.11157	5.4
286.08298	5.0
291.26852	16.5
295.09607	7.4
299.09085	19.6
299.12732	11.6
300.09616	5.7
300.12991	2.3
309.27802	7.8
313.10660	31.9
314.11307	4.1
315.12094	3.2
327.12161	16.4
328.24744	4.5
343.53830	2.2
345.09421	4.2
345.13281	51.1
345.20123	2.0
345.24374	2.2
346.13303	3.8
346.25848	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59208	1.7
53.03928	4.3
55.01858	5.5
55.05510	15.4
57.03436	3.3
57.07072	9.4
59.04984	2.1
62.59962	2.3
65.03923	7.9
67.05498	25.4
69.03426	7.7
69.07057	43.6
70.82016	3.7
71.04980	7.4
71.08617	7.6
74.09969	1.8
75.34888	1.9
79.05480	10.3
81.03410	5.2
81.07049	98.5
83.04979	3.1
83.08601	18.9
85.02892	7.2
85.06534	14.7
91.05463	16.0
93.03417	2.3
93.07037	28.3
95.04939	4.9
95.08597	66.5
96.02099	3.7
97.06500	10.0
97.10143	7.4
99.08076	7.5
103.05446	6.6
105.07024	17.6
107.01278	3.1
107.04934	5.2
107.08578	32.1
109.02912	5.4
109.06513	4.8
109.10141	47.4
111.04424	25.8
111.08076	12.1
111.11708	9.1
113.05954	3.3
115.05446	3.4
115.07571	1.9
117.06982	2.4
119.04946	2.6
119.08591	9.1
121.06496	2.8
121.10138	18.7
122.03619	3.4
123.04407	2.8
123.08064	4.1
123.11698	33.6
124.07563	1.9
125.05990	2.5
125.09633	5.2
125.13264	3.0
129.06946	4.6
131.04910	13.3
131.08575	3.0
133.02794	3.7
133.06482	4.1
133.10112	5.8
135.11688	17.4
137.05948	41.9
137.09590	8.1
137.13243	24.6
138.06357	2.3
139.03867	13.2
139.11142	5.8
141.87314	2.1
142.07709	2.4
143.04935	3.5
143.08531	3.3
145.06473	6.6
145.10104	3.4
147.04390	12.0
147.08034	4.1
147.11676	16.6
149.13232	17.2
151.03900	4.2
151.07529	8.4
151.11227	2.6
151.14807	4.3
152.06181	2.6
153.05447	3.7
153.07013	4.0
153.12737	12.2
155.08470	5.4
155.14261	3.0
157.06441	3.3
159.08029	6.8
160.08757	2.5
161.04776	2.0
161.05965	8.4
161.09607	4.8
161.13235	4.4
162.06769	2.8
163.07520	9.7
163.14799	8.5
165.05571	2.6
165.06929	4.6
165.09103	6.4
165.12756	22.6
167.03389	5.5
167.06999	6.2
167.08472	3.6
168.05725	4.7
169.06509	4.4
171.07944	2.0
171.13771	2.7
173.05984	3.0
175.07513	12.4
175.14954	1.8
177.07086	1.9
177.09032	4.2
177.16342	7.5
178.07770	5.6
179.08546	6.7
179.17964	2.1
181.05052	3.1
181.06503	9.0
182.07213	5.4
183.08112	4.3
183.13815	11.3
185.05945	3.7
187.07431	3.0
188.03407	3.3
188.08324	8.7
189.08958	2.5
189.16420	1.9
191.07039	11.9
191.17923	3.7
193.06509	1.9
193.10139	2.5
194.07086	2.2
195.08038	5.6
196.05220	5.3
196.08766	4.3
197.05951	6.7
197.09595	3.6
198.06740	16.1
199.07509	2.9
200.08405	4.2
203.06834	2.0
203.10712	2.3
203.17958	3.5
204.06712	2.4
205.19557	2.7
206.07233	2.5
207.08098	10.0
208.08568	3.2
209.05988	8.5
210.06749	6.1
211.07538	14.4
211.11110	5.4
212.08035	2.2
213.05428	7.6
213.09064	4.4
215.06992	2.5
217.19496	3.7
221.09688	4.2
223.07487	10.3
224.04590	4.9
224.08450	9.4
225.05496	2.8
225.09105	8.6
226.06201	8.6
227.06955	7.1
227.10681	2.7
228.07851	3.4
234.06810	5.1
235.07492	8.8
236.08310	3.4
237.05411	3.4
237.08998	2.6
238.06223	4.8
238.09860	13.3
239.07031	26.0
239.10583	17.0
240.07582	9.1
240.11101	2.5
241.04921	4.2
241.08504	12.9
243.06477	14.9
243.10220	3.1
246.23700	2.2
249.09100	3.1
251.07167	3.8
252.07744	8.9
253.05067	2.7
253.08578	14.6
253.12196	5.1
254.09183	2.9
255.06552	8.4
256.07236	18.4
256.09869	2.2
256.10757	2.2
257.07855	2.8
258.08832	2.7
261.25748	2.0
264.07599	2.1
265.08603	3.8
266.09280	1.9
267.06689	5.2
267.10141	33.2
268.07251	22.2
268.10306	5.2
269.04773	3.5
269.07962	23.9
270.08771	4.6
271.06528	2.2
271.09592	7.7
271.13403	2.8
273.25732	6.6
277.08527	3.5
279.26764	5.3
281.08124	6.0
281.11551	3.7
282.40863	2.0
283.09570	2.9
284.06900	4.7
284.10342	10.0
285.07733	2.1
285.11200	8.6
286.08322	8.3
291.26822	12.2
293.57742	2.1
295.09497	12.0
296.10272	11.9
297.11008	2.3
299.09125	93.6
299.12741	22.9
300.09457	12.8
300.12787	4.3
309.11096	4.7
309.27734	10.8
312.10129	2.6
313.10645	43.3
314.11221	7.6
315.12057	2.3
317.13828	4.1
327.12244	79.4
328.12531	11.0
330.11002	2.1
345.10135	3.7
345.13278	100.0
345.22235	3.7
346.13626	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	345.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.2
55.05495	2.0
57.07050	1.4
62.73259	0.8
65.03933	1.5
65.22723	0.9
67.05489	5.4
69.03423	1.7
69.07052	8.3
71.04978	2.3
71.62856	1.2
79.05515	4.5
81.03423	1.6
81.07048	14.3
83.08601	2.1
85.02880	1.9
85.06525	2.6
91.05460	5.0
93.07012	4.9
94.04162	1.0
95.04933	2.3
95.08582	10.8
97.06553	1.2
97.10142	2.2
99.08062	2.1
103.05453	10.0
105.06996	3.8
107.04949	3.0
107.08584	5.9
109.02819	1.3
109.06480	1.8
109.10136	8.4
109.83064	0.8
111.04423	2.7
111.08066	1.2
111.11710	1.3
115.05462	3.2
117.07016	6.2
119.04939	2.5
119.08550	2.3
121.02864	1.3
121.06489	4.3
121.10123	3.1
122.03619	3.8
123.08045	2.6
123.11697	5.5
127.07577	1.1
128.06177	1.2
129.07004	1.8
131.04004	1.8
131.04910	22.5
133.06448	2.1
133.10098	1.1
135.04375	1.5
135.08032	1.8
135.11668	1.5
137.05957	59.0
137.09509	1.4
137.13217	3.1
138.06335	2.2
139.03891	1.8
139.11166	1.3
143.04880	1.0
143.08527	1.6
145.06447	3.0
147.04442	2.0
147.08032	2.1
147.11667	2.0
148.05122	1.3
149.05952	1.7
149.13254	3.8
151.03864	4.1
151.07509	15.8
151.14844	1.4
153.05453	1.9
153.06989	1.7
161.05952	2.3
162.06697	3.4
163.03900	2.4
163.07523	39.8
163.14836	1.1
165.05476	2.1
165.06970	2.2
165.09123	2.2
165.12762	2.7
167.07014	3.9
167.08368	1.1
167.14304	1.1
171.08002	2.2
173.06042	1.1
175.07504	5.3
176.04736	1.0
177.09081	100.0
178.07867	2.2
178.09399	3.0
179.08536	2.4
181.05069	1.7
181.06490	3.1
182.07201	1.5
183.08022	1.4
183.13750	2.3
189.05363	0.9
191.07024	5.8
192.07433	0.9
193.08691	1.1
195.06506	5.3
195.08182	2.0
195.10130	6.9
196.08833	1.6
197.05830	1.5
198.06693	2.6
203.10640	1.7
204.06593	1.0
205.19536	2.3
207.07928	5.5
209.05977	2.6
210.06686	2.9
211.07518	3.6
213.05382	1.9
213.09135	1.4
219.08078	1.0
221.05881	1.6
221.11641	7.7
223.07468	2.5
223.20610	1.3
224.08286	1.3
225.05486	1.4
225.09174	2.5
226.06219	1.0
227.07036	1.9
228.07666	1.4
229.12076	1.1
234.06697	1.6
235.07378	4.3
238.06126	2.6
239.06998	6.8
239.10608	2.4
240.07657	1.1
241.04915	1.8
241.08430	3.1
243.06456	1.2
249.09000	1.7
251.07056	2.6
252.07774	2.5
253.08501	3.1
255.06435	3.8
256.07208	2.5
259.85367	0.9
263.07114	1.0
265.08594	1.0
267.06375	1.8
267.10129	5.3
269.08099	5.8
270.08844	0.9
271.09619	1.5
273.25629	1.0
277.08536	1.0
281.07962	2.0
283.09274	1.3
284.06821	2.6
284.10272	2.1
285.11157	5.6
286.08282	4.5
291.26743	2.2
295.09567	5.7
296.10229	1.7
299.09091	22.5
299.12704	13.0
300.09494	1.3
300.12735	1.4
309.11230	1.1
309.28009	1.2
312.10019	1.6
313.10651	18.4
314.11185	2.3
317.13763	3.6
327.12289	16.6
327.15802	1.5
345.05978	2.7
345.13251	38.1
346.13550	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	345.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01872	2.1
55.05492	1.9
66.56911	1.1
67.05482	3.0
69.07049	2.3
69.34292	11.0
79.05489	3.7
81.03384	1.6
81.07058	6.1
83.04963	1.1
83.08608	1.2
85.02901	1.5
91.05466	6.2
93.07032	3.8
94.04153	1.0
95.04988	1.9
95.08592	4.7
100.83507	1.0
103.05444	12.1
105.07030	4.4
107.04937	2.4
107.08595	2.6
109.06490	2.4
109.10159	3.1
115.05443	3.4
117.06999	5.0
119.04953	3.1
119.08572	2.1
121.02837	1.1
121.06512	4.4
121.10150	1.7
122.03625	4.7
123.04422	1.2
123.08098	1.9
123.11693	1.7
123.23584	1.0
127.03867	1.4
131.04919	18.4
133.02832	1.7
133.06490	4.4
135.04430	1.9
135.08054	3.9
137.05957	74.9
137.09604	1.4
137.13268	1.4
138.06308	1.9
139.03905	2.1
145.06450	3.1
147.04399	1.6
147.07985	1.4
147.11673	2.2
149.05952	1.7
149.09595	1.5
151.03883	5.5
151.07510	16.3
152.46112	1.0
153.06924	1.5
160.05249	1.4
161.05968	3.1
162.06764	4.7
163.03831	1.9
163.07527	40.0
164.08011	1.2
165.05432	2.2
165.07008	2.3
165.09155	2.7
165.12804	1.1
167.07034	4.7
169.06450	1.4
175.07503	7.5
176.04709	1.1
177.09084	100.0
178.07797	2.4
178.09410	2.5
179.08524	2.7
181.04973	2.2
181.06496	2.9
182.07147	1.9
183.13823	1.3
189.07069	1.0
189.09193	1.3
191.06976	5.4
193.06505	1.7
193.08546	1.4
195.06508	9.9
195.08089	2.1
195.10075	7.3
196.08765	1.4
197.05949	1.8
203.07022	1.5
203.10660	2.6
204.06566	1.5
207.08047	4.4
208.08827	1.1
209.06023	1.6
210.06815	2.7
211.07547	2.1
213.09132	1.4
214.06270	1.2
221.06026	1.2
221.07974	1.3
221.11667	8.3
222.06859	1.2
223.07538	2.8
224.08299	2.2
224.82082	1.0
225.05457	1.9
225.09128	1.9
226.06236	1.7
227.06999	2.2
234.06662	1.1
235.07552	4.0
239.07042	4.5
239.10692	3.0
241.08636	3.5
243.06546	1.1
243.10228	1.2
251.07068	1.9
252.07899	2.6
253.08698	2.2
255.06512	3.1
256.07446	1.8
265.08740	1.5
267.06577	1.8
267.10245	6.3
269.08118	4.2
270.08920	1.6
271.06033	1.2
277.08575	1.8
281.08133	1.6
281.11371	1.3
284.06818	2.1
284.10190	1.1
285.08228	1.7
285.11111	7.4
286.08356	3.4
295.09622	8.7
299.09171	19.0
299.12833	9.8
300.09555	1.5
300.13171	1.5
301.19897	1.3
305.13116	1.1
312.09912	1.9
313.10672	19.4
314.11215	1.7
317.13824	3.9
327.12292	12.1
327.15656	1.0
345.10156	1.7
345.13342	35.0
345.22336	1.4
346.13013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01857	4.0
58.70978	1.0
65.03915	2.7
67.05480	3.2
69.03406	3.1
69.07047	3.6
69.40672	11.3
71.04948	1.4
79.05482	2.9
80.16909	0.9
81.03392	4.3
81.07059	6.5
85.02889	2.8
91.05467	5.6
93.07024	5.0
94.04205	1.3
95.04935	3.3
95.08579	4.2
97.06519	1.9
103.05473	10.8
105.07059	2.8
107.04945	7.3
107.08553	4.1
109.02885	1.6
109.06509	2.3
109.10154	8.9
111.04357	2.2
113.48215	1.1
115.05442	3.8
117.07027	6.3
119.04964	1.8
119.08569	3.0
121.02876	6.2
121.06500	6.7
121.10125	1.8
122.03621	2.5
123.08058	2.1
123.11664	2.4
123.35649	1.0
125.05975	2.2
127.03902	1.5
128.06247	1.2
131.04913	20.4
131.08543	1.1
133.02776	1.2
133.06430	1.2
135.08018	2.5
135.75363	1.1
137.05957	46.4
137.09602	8.2
141.06989	1.5
143.08617	1.6
144.05667	1.5
145.06442	6.7
147.04404	2.1
147.08002	2.9
147.11656	3.3
148.05132	1.0
149.02269	1.5
149.05916	2.2
149.09703	1.3
151.03865	1.4
151.07512	13.4
153.05463	1.9
153.06956	2.9
155.08559	2.1
157.06395	1.5
161.05952	2.9
162.06749	2.5
163.07518	39.1
165.05524	2.3
165.06969	9.0
165.09064	7.0
165.12740	3.6
167.07019	7.0
167.08560	2.8
169.06441	3.0
170.07213	1.6
171.06476	2.3
173.05972	1.8
175.07541	3.8
176.04678	1.7
177.09088	100.0
178.07736	5.2
178.09395	2.8
179.08498	3.9
181.04927	10.5
181.06471	5.6
181.08394	1.0
182.07199	3.2
183.08038	4.3
185.05968	1.9
185.09595	1.2
191.07037	9.1
191.08627	1.6
193.06468	1.3
193.10136	2.0
194.07184	1.9
195.08047	5.0
195.10147	8.6
196.08780	2.5
197.05920	5.6
198.06731	3.4
199.07579	1.6
202.07729	1.4
203.08672	1.6
203.10555	1.6
205.06514	2.0
206.07184	2.7
207.07948	8.3
208.08887	1.2
209.06047	2.3
210.06721	5.8
211.07510	12.1
211.11058	2.2
213.05478	2.2
220.08942	1.2
221.06018	1.8
221.09532	4.4
221.11700	9.9
222.06702	1.6
223.07436	6.9
224.08244	6.9
225.05522	2.4
225.09064	4.5
226.06178	10.7
227.06912	2.7
234.06729	2.1
235.07574	6.3
236.08186	1.8
237.05452	1.4
237.09023	1.9
238.06247	5.2
239.07014	27.4
239.10544	9.3
240.07622	3.5
241.04881	2.6
241.08617	4.4
243.06468	4.9
249.09103	1.9
251.07027	5.3
252.07733	4.5
253.08548	4.3
254.05736	3.9
255.06505	13.8
255.09073	1.4
255.10178	1.1
256.07285	2.5
265.08585	1.3
266.05707	1.9
266.09268	1.3
267.06757	5.5
267.10138	12.0
268.10547	1.5
269.04453	1.7
269.08093	7.4
270.08722	3.8
271.05966	3.8
271.09576	1.9
281.08060	2.2
283.05978	5.2
283.09360	1.9
284.06815	3.4
284.10416	4.1
285.11145	11.7
286.08344	14.0
287.08972	1.2
295.09576	6.6
296.10291	1.5
299.09079	65.7
299.12717	37.8
300.09467	3.1
312.09799	2.3
313.10666	48.1
314.10904	2.6
315.08441	1.3
317.13782	6.8
327.08356	1.9
327.12180	35.9
328.12366	2.2
345.13263	83.3
346.13449	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	345.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01857	4.0
58.70978	1.0
65.03915	2.7
67.05480	3.2
69.03406	3.1
69.07047	3.6
69.40672	11.3
71.04948	1.4
79.05482	2.9
80.16909	0.9
81.03392	4.3
81.07059	6.5
85.02889	2.8
91.05467	5.6
93.07024	5.0
94.04205	1.3
95.04935	3.3
95.08579	4.2
97.06519	1.9
103.05473	10.8
105.07059	2.8
107.04945	7.3
107.08553	4.1
109.02885	1.6
109.06509	2.3
109.10154	8.9
111.04357	2.2
113.48215	1.1
115.05442	3.8
117.07027	6.3
119.04964	1.8
119.08569	3.0
121.02876	6.2
121.06500	6.7
121.10125	1.8
122.03621	2.5
123.08058	2.1
123.11664	2.4
123.35649	1.0
125.05975	2.2
127.03902	1.5
128.06247	1.2
131.04913	20.4
131.08543	1.1
133.02776	1.2
133.06430	1.2
135.08018	2.5
135.75363	1.1
137.05957	46.4
137.09602	8.2
141.06989	1.5
143.08617	1.6
144.05667	1.5
145.06442	6.7
147.04404	2.1
147.08002	2.9
147.11656	3.3
148.05132	1.0
149.02269	1.5
149.05916	2.2
149.09703	1.3
151.03865	1.4
151.07512	13.4
153.05463	1.9
153.06956	2.9
155.08559	2.1
157.06395	1.5
161.05952	2.9
162.06749	2.5
163.07518	39.1
165.05524	2.3
165.06969	9.0
165.09064	7.0
165.12740	3.6
167.07019	7.0
167.08560	2.8
169.06441	3.0
170.07213	1.6
171.06476	2.3
173.05972	1.8
175.07541	3.8
176.04678	1.7
177.09088	100.0
178.07736	5.2
178.09395	2.8
179.08498	3.9
181.04927	10.5
181.06471	5.6
181.08394	1.0
182.07199	3.2
183.08038	4.3
185.05968	1.9
185.09595	1.2
191.07037	9.1
191.08627	1.6
193.06468	1.3
193.10136	2.0
194.07184	1.9
195.08047	5.0
195.10147	8.6
196.08780	2.5
197.05920	5.6
198.06731	3.4
199.07579	1.6
202.07729	1.4
203.08672	1.6
203.10555	1.6
205.06514	2.0
206.07184	2.7
207.07948	8.3
208.08887	1.2
209.06047	2.3
210.06721	5.8
211.07510	12.1
211.11058	2.2
213.05478	2.2
220.08942	1.2
221.06018	1.8
221.09532	4.4
221.11700	9.9
222.06702	1.6
223.07436	6.9
224.08244	6.9
225.05522	2.4
225.09064	4.5
226.06178	10.7
227.06912	2.7
234.06729	2.1
235.07574	6.3
236.08186	1.8
237.05452	1.4
237.09023	1.9
238.06247	5.2
239.07014	27.4
239.10544	9.3
240.07622	3.5
241.04881	2.6
241.08617	4.4
243.06468	4.9
249.09103	1.9
251.07027	5.3
252.07733	4.5
253.08548	4.3
254.05736	3.9
255.06505	13.8
255.09073	1.4
255.10178	1.1
256.07285	2.5
265.08585	1.3
266.05707	1.9
266.09268	1.3
267.06757	5.5
267.10138	12.0
268.10547	1.5
269.04453	1.7
269.08093	7.4
270.08722	3.8
271.05966	3.8
271.09576	1.9
281.08060	2.2
283.05978	5.2
283.09360	1.9
284.06815	3.4
284.10416	4.1
285.11145	11.7
286.08344	14.0
287.08972	1.2
295.09576	6.6
296.10291	1.5
299.09079	65.7
299.12717	37.8
300.09467	3.1
312.09799	2.3
313.10666	48.1
314.10904	2.6
315.08441	1.3
317.13782	6.8
327.08356	1.9
327.12180	35.9
328.12366	2.2
345.13263	83.3
346.13449	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	345.169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24050	0.8
55.01860	1.5
55.05500	1.4
62.97301	0.7
65.03942	1.3
67.05490	3.2
69.03405	2.1
71.04971	1.2
71.62795	1.4
71.69859	0.8
79.05471	2.8
81.03397	3.0
81.07049	3.9
85.02906	1.5
85.06528	1.0
91.05459	5.7
93.07002	1.9
94.04158	3.3
95.04943	1.9
95.08605	3.0
99.04420	1.0
103.05441	10.3
105.07041	4.9
107.04923	4.5
107.08598	1.3
109.02888	1.6
109.06472	2.2
109.10139	4.8
115.05429	1.2
116.89635	0.8
117.07006	2.0
119.04896	0.9
119.08578	2.0
121.06490	4.8
122.03648	8.2
127.03941	1.2
129.06973	0.9
131.04918	12.6
133.06471	18.6
134.06895	0.9
135.08047	8.2
137.05960	100.0
137.09578	7.8
137.13173	0.9
138.06303	2.2
143.08543	0.9
145.06479	4.4
147.04393	2.2
147.08060	2.2
149.06009	1.9
151.03946	1.2
151.07523	6.0
153.05455	1.8
155.10658	1.5
157.06453	1.4
159.04376	1.4
159.07961	1.0
161.05983	1.7
162.06752	3.4
163.07521	37.8
165.05444	0.9
165.07021	1.2
165.09111	7.3
165.12617	0.9
171.08047	1.2
175.07483	3.8
177.09113	6.8
178.07663	1.0
179.06975	1.1
181.04974	2.0
183.13765	1.1
187.07509	1.1
189.09055	1.4
191.06950	1.5
195.07935	1.1
203.06938	1.0
203.10690	2.0
210.06721	1.2
211.07587	2.0
213.18459	1.0
223.07408	2.2
224.08217	1.3
225.08852	1.2
235.07516	1.6
235.10977	0.9
239.06969	3.2
239.10760	2.0
251.06938	1.5
253.08646	1.5
255.06313	1.9
259.80075	0.9
263.10730	1.5
267.06470	1.0
267.10089	2.0
269.08109	1.8
283.05923	1.2
284.10150	1.1
285.11078	2.3
286.08209	2.4
295.09625	2.2
295.13089	2.1
299.09073	13.9
299.12686	7.4
313.10672	7.2
314.11142	1.5
317.13644	1.5
327.12100	8.0
327.15265	1.1
345.09601	1.3
345.13339	15.2
346.13770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1327
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
50.55143	1.2
50.73198	1.2
53.06587	1.1
55.01854	2.4
55.05490	4.8
57.07065	2.1
62.73170	1.5
65.03911	5.4
67.05492	7.7
69.03403	1.6
69.07044	9.6
70.90976	3.7
71.08612	1.6
79.05486	4.6
81.03386	3.0
81.07040	18.5
83.08588	2.9
85.02884	2.5
85.06521	2.8
91.05451	3.4
93.03379	2.1
93.07027	5.7
95.04923	3.1
95.08608	17.7
96.02098	4.2
97.10165	1.6
99.08075	1.5
103.05450	2.2
105.07012	3.2
107.01318	2.4
107.04930	1.7
107.08559	5.9
107.23434	1.5
109.06505	2.0
109.10126	10.5
111.04420	24.7
111.08066	2.4
111.11712	1.4
115.05424	1.7
119.04937	2.1
119.08543	4.2
121.10152	3.3
123.11702	8.1
125.09592	2.4
127.03922	1.5
128.06242	2.8
129.06967	4.2
131.04915	5.4
133.02817	1.2
133.06429	2.2
133.10123	2.1
135.11636	1.9
137.05952	15.7
137.09605	2.3
137.13225	5.3
139.03889	15.1
141.06970	1.7
143.04906	1.5
143.08571	1.7
144.05692	2.6
145.06470	5.2
145.10098	1.9
147.04431	4.4
147.08020	2.9
147.11621	3.9
147.45596	1.4
149.13232	4.5
151.03828	2.2
151.07477	2.2
153.05499	2.9
153.06932	4.1
153.12743	1.6
155.04887	2.1
155.08527	2.1
157.06480	6.4
159.08064	7.0
160.08820	5.9
161.05974	6.3
161.09613	3.8
163.07529	3.1
165.06979	4.4
165.09138	2.9
165.12740	4.1
167.03366	5.7
167.08545	2.2
168.05702	3.8
169.06462	3.0
169.10077	1.4
173.05965	2.9
175.07574	3.9
178.07733	5.0
179.08469	6.6
180.09315	1.8
181.06467	5.6
181.10167	1.4
182.07230	2.5
183.08022	4.6
183.13766	3.1
184.05196	1.4
185.05922	6.4
185.09601	2.0
187.07515	4.4
188.08307	6.6
189.09137	2.6
190.07800	1.7
191.07002	4.5
191.10699	1.9
193.06493	1.2
195.08000	5.3
196.05144	3.3
196.08769	3.1
197.05904	4.8
197.09634	2.8
198.06734	20.3
199.07533	3.3
200.08304	3.3
205.06566	1.9
206.07245	4.7
206.09142	2.1
207.08049	8.0
207.09760	1.6
208.08826	1.8
209.05943	4.2
209.09703	2.0
210.06734	4.5
210.10347	1.9
211.07524	9.9
211.11137	5.7
212.08246	2.1
213.05437	7.4
213.09082	3.2
215.07085	1.4
219.08115	1.6
221.05969	2.1
221.09647	2.9
222.10312	2.4
223.07501	9.5
224.04688	1.7
224.08195	8.2
225.05475	4.3
225.09062	4.6
226.06172	7.8
227.07080	5.4
228.07765	5.0
234.06703	2.5
235.07524	5.0
236.08286	1.6
237.05383	2.7
237.09091	4.5
238.06201	4.1
238.09840	10.8
239.07008	23.3
239.10614	15.3
240.07733	9.1
241.04855	4.6
241.08517	10.5
242.05559	1.7
243.06519	12.8
243.10207	2.5
246.04974	1.5
249.09149	4.0
251.06992	5.2
252.07796	5.8
253.04947	2.8
253.08548	10.5
253.12180	5.4
254.05721	2.3
255.06523	4.7
255.10065	1.6
256.07254	18.4
256.11008	3.6
257.07968	1.3
258.08914	2.2
263.07074	1.7
264.07932	1.9
265.08606	2.2
266.09314	3.1
267.06723	3.6
267.10110	35.8
268.07285	23.1
268.10400	2.7
269.08054	24.5
270.08636	2.2
271.05844	1.5
271.09610	7.5
271.13013	6.1
277.08664	1.9
281.08081	3.6
281.11636	3.2
283.09439	2.4
284.06805	4.6
284.10400	8.8
285.11111	4.8
286.08313	6.7
291.26782	3.0
295.09625	8.2
296.10345	12.0
299.09106	100.0
299.12738	20.2
300.09387	5.0
309.11142	2.3
313.10593	26.6
314.11288	2.5
317.13867	4.0
327.12213	92.6
328.12485	4.9
345.13275	86.2
346.13690	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	345.06
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
52.82370	0.5
55.01854	1.0
55.05492	1.4
57.58795	0.5
65.03920	0.8
65.28035	0.5
67.05502	3.1
69.03423	1.1
69.07049	2.4
71.04970	0.8
71.08614	0.6
71.62476	0.7
73.33510	0.6
79.05469	2.3
81.07050	5.0
83.04955	1.2
83.08588	0.9
85.06529	1.4
91.05465	2.7
93.07030	3.6
94.53140	0.6
95.04962	0.6
95.08592	4.7
97.06527	1.3
103.05460	0.8
104.52939	0.5
105.07033	3.8
107.04933	1.4
107.08560	3.7
109.02843	0.8
109.06538	1.7
109.10146	4.3
111.04444	1.5
111.08076	1.1
112.00719	0.6
112.01595	0.5
115.05430	0.9
117.07000	1.1
119.08553	3.6
121.06467	1.0
121.10120	1.9
123.11711	1.8
125.09589	0.8
128.06189	0.7
131.04921	3.9
133.06506	0.8
133.10120	1.7
135.08029	1.0
135.11687	1.4
137.05975	6.9
137.09560	1.1
143.08527	1.4
145.06456	1.7
145.10188	0.9
147.04332	1.1
147.11668	1.1
149.05959	0.9
149.13240	1.7
151.03876	1.6
151.07523	1.5
152.04309	0.7
154.07799	0.6
158.03673	0.8
159.04448	0.9
159.11737	0.9
161.05949	1.0
161.09634	0.7
161.13191	0.7
163.07547	1.1
163.11266	0.9
163.14775	0.7
165.06987	1.2
165.09088	0.7
165.12810	0.9
167.07025	2.2
167.08446	0.8
169.10129	0.6
171.04324	0.7
173.05971	1.6
173.13214	0.8
175.03900	0.7
175.07544	1.9
175.11156	0.7
177.07045	0.6
177.09024	2.0
181.06480	1.3
183.13849	0.7
186.03056	1.5
191.07065	3.5
192.75482	0.6
195.08073	0.6
199.03874	0.7
201.05415	1.7
203.03430	1.2
203.10583	1.1
207.08060	1.2
210.06725	0.9
211.07468	1.5
214.02696	1.8
219.17430	0.9
225.09073	1.1
227.03395	0.8
228.04073	0.8
229.04990	2.8
229.07349	0.8
231.02895	2.5
239.07016	2.0
241.01331	1.2
242.02061	3.8
252.07634	0.6
253.08568	1.8
254.09215	0.9
255.06535	1.0
256.03738	1.1
257.00763	0.7
257.04498	1.3
259.02390	2.1
267.10202	1.8
268.07214	0.9
269.00824	1.1
269.08301	0.8
270.01581	2.1
270.08936	1.3
271.02438	1.2
281.07996	1.5
283.06091	0.7
284.10358	0.8
285.03909	8.6
285.11163	1.4
286.04639	0.8
287.01761	6.4
295.09497	1.8
297.00192	1.2
299.01904	0.9
299.09106	6.1
299.12772	3.0
301.03467	1.2
309.27756	0.7
312.02542	1.4
313.03381	32.7
313.10626	11.7
314.04028	1.9
314.11407	0.9
315.01318	20.8
315.04947	1.4
316.01807	0.7
327.12256	4.1
327.15710	0.9
327.23102	1.6
327.26694	1.0
329.02850	3.6
330.03650	30.6
331.04022	1.1
345.06024	100.0
345.12555	14.5
345.20374	1.7
345.24435	3.3
345.27975	1.4
346.06339	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	344.1018
Annotation	Hyrtiosulawesine
Peak:m/z	Relative Intensity
55.01841	0.3
57.03431	0.6
60.08141	0.4
61.02918	0.7
69.03419	2.2
69.52592	2.6
71.04973	0.4
77.06583	0.3
81.03400	0.6
85.02891	3.6
91.05495	0.4
97.02872	2.0
99.04455	0.4
107.03508	0.3
107.04949	0.5
107.06025	0.6
109.02867	0.5
109.05141	0.4
119.04911	2.2
123.04443	0.4
127.03146	0.4
127.03957	0.6
129.05463	0.5
131.56606	0.3
134.04597	7.3
135.02968	0.6
136.07561	0.4
137.05959	3.2
140.02763	0.8
145.04971	0.5
147.04387	11.8
152.05672	2.6
153.01814	0.8
154.08549	0.6
161.47821	0.3
164.07047	2.6
165.02310	1.6
165.05464	5.8
167.02577	0.9
169.04373	0.5
173.89653	0.3
182.04932	100.0
183.05313	1.5
241.09959	0.9
300.17355	1.5
321.80515	0.4
326.12344	0.4
344.10153	24.5
345.10187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71169	0.6
51.02357	1.3
53.03933	2.6
56.73960	0.7
57.03420	2.1
61.02902	1.4
69.03418	13.2
70.68115	2.1
71.04974	1.7
73.02901	1.0
78.03441	14.2
80.05006	1.1
81.03408	18.6
81.07021	0.8
85.02895	20.2
85.97904	0.8
86.88453	0.7
87.04460	1.2
87.86943	0.7
89.06017	1.5
95.04971	0.9
96.04479	3.9
97.02877	7.4
98.20787	0.8
99.04434	3.3
106.02901	77.0
107.03213	0.8
109.02863	13.5
122.06010	24.8
122.06891	1.6
124.03939	100.0
125.04287	1.0
127.03899	11.7
137.05954	0.9
142.03203	0.9
145.04973	2.0
147.04408	1.9
153.73645	0.8
165.05592	1.3
166.04985	1.2
182.08098	27.0
189.53958	0.7
202.31932	1.0
230.02040	0.8
232.06059	7.1
250.07079	41.7
251.07350	1.1
268.08124	48.2
269.08521	1.3
327.20245	0.9
344.13394	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	343.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05675	2.2
55.02233	1.5
55.05499	11.6
57.07072	9.0
64.88336	1.8
65.03937	1.8
67.05495	22.9
67.70876	1.6
69.07053	23.8
71.04969	4.0
71.08620	2.7
79.05487	13.2
81.03370	1.8
81.07049	79.7
83.04962	1.9
83.08607	11.0
85.02866	3.2
85.06529	14.5
85.31995	1.7
91.05471	11.7
93.07032	34.1
95.04972	2.5
95.08595	100.0
96.08920	2.2
97.10159	5.9
105.03383	6.2
105.07016	24.5
107.08585	43.8
109.06517	2.6
109.10143	47.3
111.11711	2.3
113.09596	3.2
117.06982	3.4
119.08578	32.1
121.09303	2.8
121.10129	37.7
123.08059	2.3
123.11689	34.8
125.09601	2.8
126.98402	1.8
127.03826	1.9
131.08525	8.2
133.10104	24.8
135.08049	3.0
135.11667	39.9
137.05981	2.6
137.09608	4.0
137.12296	3.1
137.13249	35.9
139.11172	2.1
141.35289	1.9
143.08470	3.6
144.09323	2.0
145.10106	16.3
147.11667	24.8
149.09563	2.0
149.13234	25.0
151.03877	2.8
151.11157	2.9
151.14792	10.1
153.12691	1.8
157.10104	3.2
159.11670	13.4
161.13222	16.8
163.07541	4.9
163.11163	3.2
163.14803	19.0
165.12674	2.5
165.16394	2.3
171.11716	4.9
173.13206	11.8
175.14812	13.8
177.16364	7.6
179.14311	4.2
181.12221	2.0
185.13260	2.9
185.55133	1.8
187.14828	12.4
189.16377	18.6
191.14314	8.5
191.17938	11.8
199.14876	4.7
201.16348	12.0
203.17917	11.3
205.15877	3.5
205.19507	3.9
207.17429	16.1
213.16304	4.2
215.17882	9.6
217.15759	2.2
217.19508	2.9
219.17398	4.0
221.18835	2.1
227.17908	5.5
229.19489	6.6
233.18967	2.9
241.19473	5.9
243.21088	2.8
255.21060	4.7
269.22562	5.7
297.11337	2.3
297.14771	2.6
299.27252	4.2
311.08807	1.8
311.12744	2.5
325.28839	57.6
326.29254	3.8
342.99463	1.8
343.15433	3.8
343.22751	4.3
343.26346	6.9
343.29898	77.6
344.30252	4.6
344.34943	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.9
55.01854	4.5
55.03764	1.8
55.05503	25.5
57.03423	4.0
57.07074	11.7
59.04989	2.5
61.02936	1.8
65.03928	2.7
65.79559	1.8
66.04416	1.7
67.05489	24.9
69.03074	2.2
69.03423	26.2
69.07056	57.4
71.04987	17.1
71.08595	3.8
71.62836	2.2
73.02882	2.3
75.75292	1.8
79.05476	20.1
81.03384	6.6
81.07043	100.0
82.07352	1.9
83.04971	16.9
83.08599	16.6
85.02882	11.8
85.06523	10.3
91.05453	16.9
93.07029	42.1
95.04933	11.9
95.08593	68.7
96.08907	3.1
97.02874	4.0
97.06523	13.7
97.10144	12.0
99.08072	4.9
103.05431	5.4
105.07010	26.9
107.04942	5.3
107.08572	35.5
109.02853	6.9
109.06503	11.3
109.09445	3.1
109.10141	43.5
111.08076	6.4
111.11678	9.3
113.06004	3.5
115.05412	2.5
115.07536	1.9
117.07001	3.7
119.08550	13.9
121.06478	13.1
121.10121	28.1
122.03739	2.0
123.04394	3.5
123.08049	4.5
123.11685	24.4
125.05917	4.5
125.09605	6.0
127.03872	4.5
127.07555	9.6
129.05443	2.0
129.06982	4.1
129.09074	1.9
131.04874	7.1
131.08527	7.1
133.06468	4.0
133.10117	12.9
135.07999	4.7
135.11658	23.9
137.05945	19.9
137.09567	5.0
137.13242	12.5
139.11168	10.1
141.06996	2.4
145.06528	3.1
145.10121	12.3
146.03519	2.3
147.04378	2.4
147.11684	10.5
149.05956	17.5
149.13269	11.2
151.03883	20.6
151.07530	3.7
151.11172	3.9
153.05418	11.5
153.12761	3.3
155.10600	3.5
157.06509	3.2
159.07903	2.3
159.11653	7.3
161.05934	15.9
161.13214	7.6
163.07501	12.4
163.11153	15.9
163.14801	7.7
165.05505	4.2
165.06822	2.3
165.09068	2.6
165.12764	4.6
166.07726	2.0
167.07014	5.6
169.10132	2.1
169.12141	2.4
173.05939	2.4
173.13202	3.1
174.06712	1.9
175.07494	13.5
175.14818	4.5
177.12793	3.0
177.16368	5.1
179.06903	2.8
181.04994	11.1
181.06386	3.1
181.08554	10.8
181.12186	10.4
187.07439	5.2
187.14783	4.4
189.09082	3.5
189.16330	4.8
191.06966	3.0
191.17848	3.8
193.08496	3.6
195.08026	3.6
201.09091	2.8
203.07019	4.5
203.17944	2.7
205.06650	3.2
205.10176	3.0
207.06470	3.2
209.08069	7.3
210.06589	2.0
215.17952	3.9
219.09917	3.8
221.05960	3.7
221.08057	5.3
222.06706	2.9
223.07497	3.2
231.06468	4.9
233.11639	2.4
233.18982	2.3
237.09052	4.8
239.06905	3.8
239.09085	5.3
240.07539	2.4
241.08684	2.4
251.07130	2.7
253.08632	2.2
255.10178	3.7
257.08054	5.1
261.11261	2.4
265.08533	7.0
267.06305	3.1
269.07935	2.7
271.24121	7.8
282.08688	5.2
283.09540	5.1
284.10144	2.2
285.07605	3.4
289.10690	4.2
289.25266	9.6
293.11584	2.6
297.11124	9.3
299.12650	5.4
300.09836	3.8
307.26297	7.1
310.08289	2.4
311.09180	3.6
311.12708	5.6
315.12189	6.7
325.14124	4.0
325.27274	4.3
328.09286	3.5
343.08383	2.2
343.11646	44.8
343.15359	18.4
343.22501	2.6
344.12131	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	343.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27411	2.3
53.02608	2.3
53.03936	2.8
55.01860	3.5
55.05503	22.2
57.03424	5.8
57.07059	9.3
58.63118	2.1
67.05487	35.8
69.03418	10.1
69.07058	59.4
69.35114	23.3
71.01330	2.4
71.04987	6.1
79.05480	29.6
81.03419	11.0
81.07045	100.0
83.04977	6.3
83.08605	15.2
83.11926	2.2
85.02895	6.8
85.06525	11.5
91.05462	25.5
93.07034	53.7
95.04964	13.1
95.08594	97.4
97.02908	2.9
97.06517	7.4
97.10145	11.9
99.04449	3.2
99.08077	7.4
99.93370	2.3
100.11268	7.1
103.05465	5.3
105.07021	33.7
107.04928	4.3
107.08578	44.9
109.02850	12.9
109.06519	9.0
109.10144	56.1
109.10908	3.1
111.04440	2.5
111.08104	8.8
111.11721	6.5
116.01672	2.2
117.06980	3.8
119.08575	23.5
121.06494	5.7
121.10129	35.9
121.10924	4.0
123.08073	4.2
123.11687	31.9
125.09602	3.2
127.03907	4.0
129.07002	6.4
131.04919	6.5
131.08580	7.6
133.10100	28.6
135.08090	2.6
135.11682	27.9
137.05971	22.8
137.09598	10.7
137.13254	12.1
139.11168	17.0
142.03194	3.4
145.06534	2.6
145.10095	12.8
147.11694	23.3
149.05966	6.0
149.13243	19.8
151.03894	35.0
151.07555	5.7
151.11169	4.8
151.14774	3.2
153.05476	5.5
153.12750	5.6
155.10651	9.1
159.07977	2.5
159.11670	12.0
161.05991	7.0
161.13222	14.5
162.02237	5.8
163.03862	2.7
163.07527	9.9
163.11145	13.4
163.14835	9.0
165.12775	9.3
167.07048	10.3
167.08337	3.0
173.13257	6.3
173.70651	2.4
174.06750	2.9
175.07497	5.5
175.14822	7.8
177.05527	2.3
177.16383	5.4
181.04971	9.5
181.06511	3.6
181.08583	8.4
181.12218	18.4
187.11243	2.7
187.14856	4.0
189.09100	10.0
189.16377	12.1
201.16360	5.8
207.17574	3.3
211.07419	2.8
215.17969	10.2
223.07497	4.1
227.07076	2.9
233.18748	3.4
239.07018	2.7
240.07738	2.8
245.90698	2.4
255.09991	2.9
265.08511	3.3
265.25253	2.7
267.09189	2.5
269.08163	3.7
271.24075	14.0
277.25327	4.0
282.08932	3.3
283.09595	4.8
285.07486	2.6
289.25296	14.0
297.11276	4.2
299.09174	2.4
300.10049	2.8
307.26315	10.1
311.12592	3.0
315.12289	3.5
325.13977	5.5
343.11740	31.3
343.15393	11.8
343.30768	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01849	2.4
55.05495	13.9
57.03426	2.5
57.07061	3.4
59.04994	1.5
67.05495	6.6
69.03416	27.1
69.07061	17.0
71.04990	8.5
71.08613	2.6
71.62019	1.5
71.62402	2.0
73.02865	1.7
75.47778	1.3
79.05468	8.3
81.03387	2.0
81.07048	32.0
83.08604	11.9
85.02900	6.1
85.06510	5.5
91.05438	7.7
93.07030	15.1
95.04964	2.8
95.08592	17.6
97.02876	1.3
97.06515	4.4
97.10133	1.5
99.08058	4.9
100.11245	87.2
101.11566	2.7
103.05437	4.8
105.07012	9.7
107.04952	3.9
107.08587	12.7
109.02821	2.3
109.06503	3.6
109.10162	11.7
111.04417	2.0
111.08082	4.6
111.11679	4.1
113.03867	1.2
117.07004	2.7
117.13849	2.9
119.08526	5.6
121.06480	14.2
121.10141	8.6
122.03678	1.8
122.69953	1.1
123.04372	1.8
123.08018	1.4
123.11710	15.3
127.03861	1.5
129.05479	2.5
129.06963	2.0
131.04918	5.6
131.08571	3.0
133.06435	3.5
133.10126	6.1
135.08032	2.5
135.11688	9.2
137.05956	20.4
137.09544	1.8
137.13184	3.5
138.06331	1.9
139.11150	5.3
141.06992	1.9
141.12727	2.7
145.06477	1.6
145.10085	2.4
146.03613	2.0
147.04346	1.9
147.11639	4.3
149.05968	19.8
149.13216	4.3
151.03899	15.7
151.05009	1.7
151.07520	3.7
153.05437	12.6
153.12740	6.7
153.13797	1.2
155.14273	1.5
157.06401	1.6
159.08023	2.2
159.11670	1.5
160.05121	1.6
161.05960	20.1
161.13223	2.3
162.02209	3.3
162.06477	1.4
163.03922	1.4
163.07515	12.6
163.11157	3.9
163.14789	1.6
164.07780	2.1
165.05499	2.6
165.06955	1.3
165.09135	1.4
165.12737	3.6
167.07024	5.9
167.14285	1.4
169.06519	2.0
169.37080	1.2
170.02646	1.7
171.13786	2.8
173.06000	2.3
174.06650	1.3
175.07515	11.7
175.14749	1.8
177.05447	2.5
177.09030	1.5
177.16327	1.2
179.07002	3.2
181.04939	7.2
181.08565	16.9
181.12195	3.1
183.13792	1.9
187.07455	2.1
189.05449	3.9
189.09081	4.1
189.16449	2.0
191.06866	1.6
193.04898	3.0
193.08633	6.0
194.07266	1.7
197.08046	1.6
201.09064	2.9
201.14803	2.5
203.07031	3.2
203.17902	1.3
205.08389	1.3
205.10106	1.7
207.06456	3.7
207.08121	2.7
209.06122	1.9
209.07991	9.7
209.09653	1.3
209.16405	11.0
211.07527	1.4
215.18068	1.5
219.10059	7.0
221.06059	2.3
221.08061	4.8
222.06560	1.6
223.07529	1.7
227.17517	6.2
231.06566	4.5
235.07610	2.0
236.08051	1.6
237.05438	1.6
237.09084	3.7
239.06956	1.8
239.09114	4.8
247.09721	1.5
250.09715	1.7
251.07019	2.8
253.08406	1.3
255.10350	1.4
257.08035	2.1
261.11227	1.8
263.09158	5.1
265.08560	6.6
265.12073	2.7
267.10257	1.2
269.08081	2.6
278.09326	1.7
278.31052	1.3
279.09958	1.5
282.08749	3.5
283.09503	2.8
284.10361	1.7
289.10620	3.8
289.25323	3.6
291.09329	1.2
293.11703	6.1
294.12299	1.6
297.11133	9.2
299.09634	1.7
299.12747	8.6
307.11615	2.3
307.26279	2.5
310.11560	2.0
311.09320	2.2
311.12695	9.6
313.10550	1.4
325.14230	5.3
343.11157	8.0
343.15405	22.3
343.30640	100.0
344.11774	1.8
344.15564	2.6
344.30917	6.8
361.88104	1.2
366.60187	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29450	1.7
53.03946	3.0
55.01854	2.5
55.05500	22.9
57.03426	5.4
57.07067	9.1
59.04990	3.2
67.05489	28.2
69.03434	12.4
69.07058	44.6
69.70194	14.6
70.07384	2.1
71.04967	11.2
71.08614	6.1
79.05478	22.2
81.03397	6.3
81.07044	100.0
82.07378	2.9
83.04968	8.4
83.08604	15.1
85.02888	6.6
85.06528	11.3
87.18228	1.7
91.05467	19.5
93.07026	70.4
93.07622	3.6
95.04963	17.4
95.08591	67.0
97.02859	2.3
97.06525	9.2
97.10155	9.5
99.04450	2.3
99.08060	4.2
101.63476	1.9
102.89906	1.7
103.05447	3.8
105.07022	25.0
107.04927	4.5
107.08575	39.5
109.02860	12.2
109.06490	14.5
109.10130	38.9
111.04418	2.8
111.08070	14.0
111.11691	6.1
113.06007	2.7
113.09663	3.4
115.07500	2.5
117.06998	5.2
119.01488	1.6
119.04964	2.4
119.08564	22.0
121.06498	6.7
121.10129	39.2
123.08071	3.8
123.11672	32.8
125.05965	3.5
125.09613	5.1
125.13270	2.0
127.03892	2.6
127.07482	2.8
128.06216	2.8
129.06978	5.4
131.04924	5.0
131.08545	5.2
133.06422	2.7
133.10109	13.6
135.08000	4.3
135.11671	27.8
137.05937	10.9
137.09602	4.2
137.13252	13.4
139.03812	2.2
139.11105	8.4
143.08525	3.5
145.04837	1.7
145.10094	15.7
147.11659	12.3
149.05998	3.6
149.13196	11.9
151.03917	7.3
151.07506	5.1
151.11163	8.8
151.14806	1.7
153.12677	8.7
155.08473	1.9
155.10677	5.6
157.10103	3.6
159.11699	9.4
159.88040	1.9
161.05959	6.2
161.09517	2.1
161.13222	7.8
163.07536	5.1
163.11168	21.4
163.14836	7.5
165.07002	2.9
165.12758	2.9
167.07013	5.2
167.10677	2.0
169.12277	2.0
171.13786	2.0
173.09554	1.9
173.13177	4.5
174.06830	2.6
175.07599	3.2
175.14819	4.9
176.03268	2.0
177.12758	3.0
177.16377	4.5
178.16724	1.9
179.14250	2.6
181.04886	6.6
181.06522	5.0
181.08598	5.8
181.12195	15.3
182.07283	1.8
187.07498	2.3
187.11095	2.2
187.14804	3.8
189.07491	1.8
189.09099	7.5
189.16368	3.2
191.17807	3.0
194.07220	2.0
195.07970	2.3
197.06026	2.6
197.09746	2.5
199.13231	4.7
203.17921	2.0
211.07378	2.1
215.18044	2.6
217.19534	2.4
219.10103	1.8
220.55087	1.7
221.05936	3.2
223.07443	2.3
227.06937	2.2
235.07713	2.1
239.06927	2.5
255.06413	2.2
257.07986	2.6
261.25238	1.9
267.06464	3.7
269.08041	3.6
271.24191	8.1
282.08804	6.0
283.09625	4.6
284.10480	2.7
285.07510	3.6
289.25168	10.1
293.08002	2.2
295.26309	3.2
297.11151	5.3
299.09100	2.8
300.09824	4.7
307.26294	9.8
310.08389	2.4
311.09113	3.1
311.12698	3.3
315.12134	4.0
325.10651	3.6
325.14331	4.4
325.27344	6.3
343.08237	2.1
343.11700	41.2
343.15387	12.9
343.22290	2.4
344.12106	8.1
344.15710	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2262
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03934	2.3
55.01851	5.1
55.05498	13.2
57.03417	4.2
57.07059	8.1
59.04972	4.5
65.03930	1.9
67.05492	15.8
69.03425	8.9
69.07049	7.5
71.04980	13.9
79.05482	15.2
81.03396	2.8
81.07040	21.0
83.04967	4.9
83.08594	4.4
85.02875	2.0
85.06506	4.0
87.04459	1.4
91.05458	24.6
93.07030	52.8
94.07404	1.8
95.04955	36.4
95.08594	57.8
96.08912	2.1
97.06509	13.9
103.05464	2.2
105.07014	59.1
107.04915	3.0
107.08575	41.9
109.06501	13.4
109.10131	6.0
115.05432	3.8
117.07001	20.9
117.07745	2.3
119.08559	24.5
121.06492	12.4
121.10120	19.6
122.07329	1.4
123.08048	21.7
123.11675	1.4
125.05990	2.8
125.09602	1.4
128.06192	3.1
129.06998	3.6
130.07747	10.2
131.08546	9.7
133.06461	4.3
133.10112	14.4
135.08035	19.1
135.11700	12.9
137.06009	2.6
137.09573	4.1
141.06949	2.3
142.07700	1.8
143.08574	11.2
144.09288	1.8
145.06476	2.2
145.10100	65.0
147.08012	11.8
147.11659	5.7
149.09598	4.7
151.03842	2.7
151.07520	39.5
153.09105	2.6
155.08513	2.6
155.10687	1.6
156.09328	3.1
157.10114	8.5
159.11668	8.2
161.09650	6.6
161.13219	3.5
163.11154	52.7
164.11465	1.9
165.09097	14.1
167.08563	2.2
169.10107	5.1
171.11649	6.1
173.09607	3.9
173.13239	4.7
175.11185	5.0
175.14793	1.3
177.09111	3.0
179.06992	4.1
179.10597	1.6
181.12189	3.2
183.11615	2.8
185.09569	1.5
185.13187	2.7
187.11172	4.8
187.14819	1.4
189.12669	9.3
191.10635	1.3
191.14330	3.6
193.10019	2.2
193.60042	1.2
195.11621	1.6
197.13257	5.0
199.11166	1.4
199.14851	3.1
201.12662	1.9
203.14230	8.6
207.10072	1.6
207.11917	1.8
207.13766	4.4
208.12303	2.2
209.13379	2.2
209.15364	4.0
215.14255	4.1
217.12193	3.2
221.13332	2.6
221.15340	22.6
223.14774	1.7
225.12724	2.0
227.14230	2.3
229.34293	1.6
233.15369	3.2
237.16411	2.1
241.15810	2.9
257.53613	1.4
257.63611	1.4
263.16434	5.5
267.17236	1.6
269.15323	3.6
274.19214	1.7
286.19153	3.1
287.16574	1.8
287.19937	1.6
297.11240	3.0
297.14938	2.3
307.20407	3.5
325.14536	2.5
325.21530	11.4
343.15500	3.9
343.22620	100.0
344.22913	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	343.2262
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03925	1.8
55.01851	4.1
55.05507	11.7
57.03432	7.0
57.07054	4.7
59.04974	3.5
60.85110	1.0
65.03908	1.4
67.05493	18.3
69.03416	7.7
69.07064	6.0
69.79552	6.6
71.04982	14.2
79.05479	16.8
81.03401	2.7
81.07037	20.7
83.04946	5.7
83.08591	1.8
85.02882	1.3
85.06516	2.3
91.05466	21.7
93.07026	47.6
94.07356	2.1
95.04955	34.1
95.08587	52.3
96.08921	2.0
97.06526	11.1
103.05450	1.2
105.07012	50.8
107.04955	1.5
107.08580	34.6
109.06489	9.9
109.10122	4.5
111.08026	1.8
115.05423	4.3
117.06996	17.2
118.07277	1.4
119.08560	17.6
121.06487	11.2
121.10133	10.1
122.07255	1.1
123.08051	16.3
123.11720	2.3
123.63810	1.0
125.05920	1.8
127.03911	1.2
128.06166	1.3
129.05464	1.3
129.06999	3.5
130.07770	9.8
131.08548	5.7
133.06471	4.4
133.10104	12.0
135.07072	1.8
135.08029	17.9
135.11661	12.1
137.05952	2.8
137.09608	2.8
140.36926	1.1
142.07755	1.6
143.08542	7.5
145.06494	1.6
145.10098	54.8
146.10455	1.7
147.08011	9.9
147.11664	3.3
149.09583	4.0
149.13306	1.6
151.03949	2.4
151.07520	25.2
153.09052	2.7
155.08545	3.6
156.09285	1.7
157.10101	6.9
158.97583	2.0
159.08017	2.9
159.11656	6.0
160.08809	1.1
160.97313	4.2
161.09625	6.4
161.13202	4.0
163.07530	1.5
163.11151	46.4
164.11496	1.7
165.09071	13.6
167.08487	1.1
169.10123	2.5
170.10896	1.6
171.11658	4.4
173.09560	2.2
173.13245	1.5
175.11139	3.2
175.14774	1.5
177.09081	6.5
179.06993	4.0
179.10649	1.7
181.10089	1.6
181.12234	3.6
183.11627	2.1
185.13228	1.7
187.11154	5.2
187.13148	1.3
189.09131	2.2
189.12724	5.9
191.14316	3.0
193.10178	1.5
195.11600	1.2
197.13287	3.2
199.14751	1.4
201.12775	1.9
203.14282	7.1
207.10052	2.0
207.13733	4.7
209.13272	1.8
209.15311	3.2
213.12662	1.5
215.14276	1.9
217.12273	2.2
221.13211	0.8
221.15315	22.3
222.15811	1.3
223.14725	1.8
227.14374	1.8
233.15312	2.6
239.14265	1.2
241.15929	1.7
243.13712	1.1
245.15411	1.3
251.14207	1.5
263.13919	1.4
263.16263	7.4
266.38940	1.1
269.15366	3.8
271.16913	1.1
274.19238	1.2
283.20471	1.4
286.19193	3.2
287.16672	1.5
287.19775	1.3
297.11511	1.3
297.14737	1.7
307.20514	2.1
325.21503	9.1
343.07828	2.0
343.22626	100.0
344.07425	4.7
344.22952	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01849	2.4
55.05492	1.9
57.03436	3.5
57.07067	1.5
61.02921	4.4
64.75171	0.6
66.70617	0.6
67.05483	1.6
69.03421	14.1
69.07050	1.8
70.71231	1.3
70.71562	0.9
71.04969	2.9
73.02895	2.1
79.05476	4.6
81.03402	6.6
81.07054	9.2
83.04984	6.1
84.04494	1.1
85.02896	32.3
85.06525	1.1
87.04446	1.8
91.03963	1.6
91.05466	4.9
93.07026	12.2
95.04359	1.0
95.04963	19.1
95.08589	1.9
97.02884	10.6
97.06523	3.6
99.04434	2.6
103.03905	1.7
103.05429	0.8
104.39387	0.6
105.07014	8.6
107.04924	1.5
107.08585	11.5
109.02871	3.6
109.06508	3.4
110.11921	0.6
111.04443	0.6
116.01646	1.6
117.07027	2.7
119.08591	5.5
121.06509	5.2
121.09305	1.1
121.10130	13.6
123.04372	1.4
123.08051	1.8
125.05979	11.5
127.03896	8.2
129.06958	0.6
130.07730	3.2
131.04936	1.2
133.06473	1.7
133.10121	1.7
135.08022	1.8
135.11693	6.8
137.05939	4.7
142.03232	1.6
143.08556	1.4
145.04948	7.9
145.09024	1.4
145.10106	19.9
147.04393	1.5
147.08028	1.8
148.08810	0.8
151.03908	0.7
151.07520	0.9
153.05443	2.0
157.10110	0.8
161.05949	1.1
161.09642	1.4
162.02184	1.8
163.07489	2.6
163.11165	100.0
164.11487	2.5
165.09117	1.7
165.12708	0.8
167.07050	1.6
170.02649	1.6
175.03969	0.8
175.07487	0.9
175.11156	0.8
181.04994	7.0
181.12204	17.9
181.96329	0.6
182.08092	1.5
183.10126	1.3
187.11136	0.8
205.12279	1.9
223.13278	1.1
228.51343	0.8
251.35663	0.6
281.11078	0.7
282.08859	0.9
307.15283	1.0
307.58554	0.7
343.11633	1.2
343.17584	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1534
Annotation	Pukalide aldehyde
Peak:m/z	Relative Intensity
50.00781	0.4
53.03924	0.7
55.01850	0.5
69.46037	3.9
75.04447	1.2
79.05472	2.8
81.07000	0.6
82.17527	0.4
91.05453	1.8
93.07023	0.6
94.04161	1.6
95.04952	1.2
105.03359	0.6
105.06999	0.6
107.04949	1.9
109.06505	1.8
111.72579	0.5
121.02851	1.7
121.06475	1.5
122.03613	1.9
126.03098	0.6
131.08566	0.5
133.06477	0.5
135.04375	1.6
135.08032	3.9
136.05194	1.1
137.05923	0.5
144.05676	1.6
145.06468	1.4
147.08037	1.3
149.02325	0.5
151.03938	1.2
151.06374	0.8
151.07512	6.2
155.07021	2.6
158.07254	0.7
159.08032	4.6
161.06128	0.5
161.09598	1.6
165.05453	35.9
165.06741	2.0
166.05777	0.9
166.07858	0.5
177.09045	0.7
178.07742	1.5
179.08531	1.3
181.06458	1.3
182.07216	1.6
183.08025	1.9
185.09598	0.7
187.07542	0.8
189.07324	0.4
191.08533	1.4
193.06535	0.6
193.10114	1.1
194.07207	1.1
195.08060	3.7
196.08809	1.0
197.05930	0.5
197.09627	1.1
198.06696	2.1
203.08565	0.9
205.10136	0.7
206.07271	0.7
207.08023	2.2
208.08824	2.1
209.05922	0.5
209.09566	1.7
211.07515	5.0
211.11168	1.0
212.08179	0.7
213.09059	6.6
218.07196	0.5
219.08018	1.8
220.08679	0.8
221.09587	4.0
222.06877	0.6
222.10304	1.8
223.07607	3.1
223.11136	4.2
224.08263	3.6
225.09099	6.1
226.06210	2.3
226.09683	0.9
233.09486	1.1
234.06815	0.8
234.10335	3.8
235.07526	3.0
235.11028	4.2
236.08434	3.1
237.09082	4.8
237.12460	0.5
238.09825	2.6
239.07011	4.1
239.10605	10.6
240.11386	2.9
240.23201	1.9
241.08514	3.4
245.09547	0.6
249.08980	2.3
250.09792	5.3
251.06927	1.1
251.10605	14.5
252.07941	1.1
252.11082	1.4
253.08571	14.9
253.12236	2.0
254.09262	3.1
255.09842	0.9
256.10910	2.1
257.11584	0.9
261.08984	0.6
263.10608	0.8
264.07840	0.6
265.08578	2.6
265.12216	6.6
266.09979	0.6
266.12979	14.6
267.06522	6.3
267.10114	9.2
267.13135	1.3
268.07233	3.1
268.10736	2.1
269.08063	5.9
269.11688	2.7
270.08328	0.7
271.13300	1.0
279.10223	1.2
281.08066	9.6
281.11688	1.9
282.08807	10.7
282.12457	6.4
283.09286	0.8
284.10376	19.9
284.13580	1.2
285.10916	0.9
293.11807	1.0
294.09494	0.6
294.12323	3.0
295.09610	2.4
296.10318	0.7
297.11166	100.0
297.14795	64.6
298.11536	6.8
298.15170	4.2
299.12332	0.7
307.13275	1.0
309.11230	0.9
310.11874	6.8
315.15829	20.2
316.16199	0.9
325.14273	54.2
326.14508	3.5
343.15344	99.6
344.15695	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	343.1534
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
53.03926	1.8
55.01869	2.2
55.05514	3.7
57.03426	1.8
57.07066	3.0
65.03924	2.2
66.91459	1.1
67.05502	5.5
69.03419	4.0
69.07063	7.6
70.35047	2.2
70.35424	4.0
71.04974	3.0
79.05473	11.8
81.03417	3.4
81.07047	18.8
83.04984	1.7
83.08640	1.3
85.02901	5.4
85.06522	6.1
91.05467	11.8
93.07028	12.6
93.35143	1.2
94.04161	2.6
95.04971	5.0
95.08592	9.0
97.02895	1.9
97.06527	3.9
97.10168	1.3
99.04447	1.2
99.08090	1.5
102.04695	1.5
103.05456	10.5
105.07027	13.0
107.04936	19.3
107.08599	7.1
109.02839	4.0
109.06502	3.2
109.10143	6.5
111.04350	1.7
111.08077	3.7
111.11753	1.4
115.05444	4.3
116.01638	4.1
117.07019	3.2
119.04919	3.6
119.08564	3.6
121.06461	9.8
121.10128	8.2
122.03626	7.9
123.04443	3.3
123.08077	1.4
123.11686	6.1
125.05980	2.6
127.03908	3.1
128.06232	3.2
129.06990	10.3
130.04158	2.0
131.04927	10.9
131.08572	3.7
133.06479	10.4
133.10133	2.0
135.04370	1.2
135.08023	3.4
135.11710	6.2
137.05960	100.0
137.13205	1.8
138.06325	2.4
139.11115	2.5
140.04645	2.1
141.06950	3.1
142.03226	5.1
143.04886	1.4
145.06473	3.6
145.10126	2.7
146.03581	5.7
146.07246	1.9
147.04417	8.2
147.08029	1.5
147.11685	2.2
148.03906	1.7
149.05934	7.3
149.13335	2.3
151.03876	5.6
151.07500	7.8
153.05458	4.8
153.06915	1.1
153.12735	2.4
157.06467	9.8
158.07352	2.1
159.08055	3.2
160.05214	1.7
161.04607	2.1
161.05963	42.4
161.09647	2.3
162.02191	5.4
162.06729	17.9
163.07532	32.5
163.11159	6.6
165.06975	2.4
165.09073	1.4
165.12729	1.5
165.43153	1.3
166.06299	3.1
166.07703	1.6
167.07045	17.0
167.08424	2.2
169.06476	2.1
170.02693	2.1
173.09641	1.8
174.06786	6.7
175.07535	28.2
176.08078	1.1
177.05484	3.6
177.06897	1.2
177.09120	3.9
179.06987	1.4
179.08525	2.0
179.10638	2.1
181.05002	13.2
181.06641	2.3
181.08563	30.9
181.12091	5.4
183.08034	1.2
187.07526	2.8
189.07301	1.4
189.09079	32.2
189.10698	1.7
190.07779	4.1
191.07039	1.4
191.08589	2.1
193.06519	1.3
193.08592	2.1
194.07233	3.9
195.08060	2.5
197.05994	1.4
199.13263	1.4
201.09074	4.6
205.06555	3.4
205.10176	3.3
207.08092	3.7
208.08783	1.7
209.09579	2.4
211.07527	3.0
215.08609	1.5
218.07269	2.8
219.07985	3.2
219.10173	10.1
221.05914	2.0
221.09657	2.2
222.06703	5.1
222.10284	2.1
223.07558	3.5
224.08380	2.9
225.09074	2.0
232.08818	1.6
233.05980	2.9
233.09625	7.4
234.06778	1.6
234.10419	1.5
235.07570	5.2
236.08308	2.5
237.05365	1.5
237.09053	8.2
239.07008	3.0
239.10764	2.8
240.07811	1.9
241.08609	2.8
247.07649	2.7
249.09167	2.2
250.06177	2.8
250.09932	3.7
251.07014	2.5
251.10712	2.3
252.07791	2.4
253.08589	3.7
254.09346	2.1
261.09094	5.5
262.09720	1.5
263.07095	1.8
264.07755	3.0
265.08606	13.6
265.11914	6.1
266.09155	2.5
267.06354	1.8
267.10168	7.4
268.74588	1.2
269.08054	9.0
278.09525	3.0
279.10107	4.1
281.08014	3.2
282.08768	7.3
283.09772	3.6
283.13318	3.1
284.10410	5.0
285.07443	1.7
293.11713	15.8
294.12268	1.9
295.09708	3.9
296.10385	1.9
297.11209	34.4
297.14456	2.1
298.11719	2.6
299.09247	2.6
299.12708	26.6
300.09735	1.8
300.13156	2.5
307.26166	1.6
310.11896	4.2
311.12646	18.6
312.13159	2.3
313.10367	1.3
315.12289	1.6
325.10620	2.5
325.14221	21.9
340.12677	1.3
343.11670	14.5
343.15396	60.7
344.12027	2.7
344.15833	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	342.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.3
55.01876	7.4
55.05500	32.0
57.03411	10.7
57.07053	8.6
67.05498	80.9
67.73713	5.7
69.03419	13.0
69.07064	71.7
69.79328	40.3
71.04964	8.3
79.05488	56.8
79.10828	5.6
81.03397	18.3
81.07048	100.0
83.04965	19.9
83.08604	20.3
83.52616	5.2
85.02894	17.2
85.06523	13.3
85.79404	5.3
91.05463	54.9
93.07026	71.1
95.04971	28.2
95.08604	61.5
97.06509	24.3
97.10140	8.0
105.07025	42.8
107.04940	11.2
107.08586	48.3
109.06508	16.8
109.10155	32.2
111.08039	7.7
115.98862	5.8
117.07002	13.2
119.08572	43.1
121.06461	7.3
121.10148	34.8
123.08021	14.3
123.11697	12.3
127.03892	7.8
129.07016	8.3
131.08585	25.9
133.10150	44.1
135.08099	6.3
135.11673	39.3
137.05914	11.3
137.09601	11.2
143.08499	9.3
145.04961	8.1
145.10085	21.9
147.11659	27.6
149.09621	10.3
149.13248	21.4
151.11160	9.0
157.10110	8.6
159.11681	25.1
161.13222	15.0
163.11139	18.6
171.11685	8.9
173.13261	17.7
174.56778	6.5
175.11063	5.6
177.12770	7.9
181.12256	29.4
195.13741	12.8
199.13106	5.7
207.13794	6.4
213.14920	15.5
235.17081	6.3
246.87889	5.4
257.18900	6.8
263.20105	7.3
272.10156	6.3
275.20074	59.2
289.21634	13.0
297.11130	7.9
307.22546	7.7
316.99496	6.2
342.29053	10.3
343.15271	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	342.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.0
55.05262	3.4
55.05506	48.2
55.81246	1.8
57.03416	3.9
57.07063	2.9
60.04520	4.7
60.73050	1.9
63.32325	2.1
67.05500	21.8
69.03413	8.9
69.07070	18.5
70.80796	5.9
79.05482	25.9
80.12484	1.7
81.07044	20.7
83.04959	3.9
83.08604	29.3
83.95403	1.8
85.02878	6.5
88.07571	2.6
91.05471	12.5
92.33162	1.8
93.07037	14.7
93.32204	2.2
95.04935	3.5
95.08586	11.5
96.08891	3.0
97.02853	2.5
97.06511	4.8
97.10159	72.6
98.19270	2.0
105.07011	15.4
106.07351	2.3
107.04944	2.9
107.08583	91.1
108.08894	2.6
109.06503	4.2
109.10137	6.4
111.08060	4.4
117.07021	3.1
119.08548	7.7
119.98720	1.9
121.10130	7.5
125.09622	73.6
129.06975	2.3
131.08560	5.5
133.10121	9.9
135.08049	16.9
135.11690	4.2
137.05937	5.6
145.04984	3.7
145.10094	11.8
146.91647	2.2
147.11650	5.7
149.09604	3.6
151.03877	3.9
151.07541	2.6
153.09071	11.9
157.12196	6.8
159.11650	4.6
163.11140	5.5
165.09039	2.6
173.13226	2.6
175.07474	2.2
177.12854	2.6
181.12190	5.9
203.12761	100.0
239.18054	2.5
257.19049	12.6
275.20062	38.3
289.21530	20.5
297.11145	6.8
297.14673	3.6
307.22675	16.0
319.98035	2.3
325.14319	3.3
342.25168	2.6
342.29721	4.2
343.15256	5.5
343.22687	8.2
349.71228	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01844	0.7
55.05504	0.6
57.03422	5.3
59.04980	1.7
61.02911	2.2
69.03421	3.3
69.73446	1.3
69.73853	2.5
71.04971	2.1
71.08614	2.3
73.02918	0.7
79.05474	0.8
81.03398	1.8
81.07056	3.5
83.04954	0.6
85.02887	13.8
85.06496	0.7
87.04449	0.8
91.03947	0.6
97.02860	4.9
99.04427	0.6
99.08076	15.0
101.06009	0.9
102.57047	0.5
109.02851	2.3
109.06486	2.7
117.09106	100.0
118.09458	1.6
127.03940	3.8
127.07528	4.6
128.06998	0.5
134.06004	0.6
135.04491	0.7
145.04941	3.8
145.08588	1.9
152.07079	0.6
153.01869	0.7
162.05489	3.1
163.03906	3.9
163.05957	0.9
163.09627	19.7
168.11371	0.6
179.03319	0.7
180.03680	1.0
180.06516	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01850	0.7
55.05501	6.3
57.03418	1.7
57.07067	11.1
59.04973	0.9
59.63377	0.5
61.02901	2.0
67.05483	0.8
69.03414	4.2
69.07048	0.8
70.01756	3.0
70.06557	0.6
71.04974	0.9
75.79658	0.6
76.64479	0.5
79.05479	0.9
81.03403	3.6
81.07030	1.3
83.04996	0.6
83.08626	3.3
85.02892	16.2
89.06017	30.9
91.05475	0.8
93.07032	1.2
93.80190	0.5
95.04939	1.1
95.08601	0.8
97.02866	4.1
97.06542	0.6
98.58374	0.5
99.04418	1.5
101.09643	13.6
103.05492	0.7
105.07014	0.8
105.38177	0.6
107.04981	0.8
107.07054	31.0
107.08561	1.0
109.02856	2.7
109.10143	0.7
117.07008	0.7
121.06522	0.8
127.03873	3.2
129.06999	0.8
135.08029	1.3
135.11656	0.6
137.05994	3.3
138.06325	0.7
140.04675	0.8
145.04936	3.0
147.04347	0.5
151.03860	0.6
153.05444	1.5
161.05942	1.7
163.07539	3.6
163.13271	100.0
164.13635	0.8
167.07053	1.7
175.07484	0.8
181.04947	4.7
181.12158	0.7
189.09047	1.0
193.08597	0.9
226.78893	0.6
283.09631	1.1
284.10339	0.7
297.11316	1.0
310.11383	1.2
325.14487	0.8
342.06305	0.9
342.14212	1.9
343.11731	2.2
343.15445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01871	1.0
55.05506	1.3
57.03432	7.0
57.07071	1.4
59.04980	1.7
61.02911	2.2
67.05502	1.3
69.03416	4.8
69.07063	0.8
70.06583	3.5
71.04981	2.7
71.08614	4.5
71.62257	1.0
73.02911	1.1
73.06567	1.1
73.53498	0.7
74.52752	0.7
79.05486	2.3
81.03423	3.8
81.07044	11.4
82.73754	0.6
83.04980	1.0
83.06087	0.8
85.02894	16.3
85.06541	4.2
86.09706	1.2
87.04456	1.0
93.07033	0.7
95.04936	0.9
97.02870	4.0
99.04397	0.9
99.08083	20.4
99.08737	1.0
100.89216	0.8
103.07568	12.7
105.06995	1.2
108.08134	0.7
109.02857	2.3
109.06501	17.0
109.56177	0.7
111.05531	0.8
116.83761	0.7
117.09116	100.0
118.09423	0.8
119.08485	0.9
120.08101	2.4
121.06509	0.7
123.04395	1.2
125.09499	0.7
127.03896	3.1
127.07542	47.5
129.37189	0.6
133.06487	1.2
136.07600	0.9
137.05972	2.8
138.06319	1.3
138.09167	2.8
139.03940	0.7
141.05605	0.9
144.36156	0.7
145.04912	3.0
145.08606	3.1
153.01797	1.2
161.05968	0.8
162.09120	1.1
163.03897	1.7
163.09645	41.0
167.07011	1.7
175.25835	0.8
177.05318	0.7
179.03288	0.9
180.06540	2.4
180.10216	1.0
181.04944	5.3
191.91016	0.8
199.06007	0.8
296.11108	0.9
314.12143	1.5
315.14786	0.8
342.10999	1.5
342.14789	1.1
342.19229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.2
57.07050	4.7
67.05492	14.0
69.07052	14.6
69.65072	9.2
69.65479	3.7
79.05482	13.6
80.42236	1.5
81.07047	34.5
81.35263	1.7
83.08608	5.4
91.05456	10.6
93.07032	32.5
95.04918	2.5
95.08595	45.4
97.10121	2.4
105.07002	25.4
107.08582	47.2
109.06487	1.8
109.10140	24.9
117.07004	3.5
119.08562	43.9
121.10120	37.3
121.11000	2.3
123.08058	2.1
123.11679	15.0
123.31804	1.5
129.06956	4.4
131.08562	8.7
133.10114	34.0
135.11676	48.5
137.05968	7.2
137.13206	7.3
143.08499	5.8
145.10086	21.8
147.11667	21.7
149.13254	13.0
157.10135	8.4
159.11665	20.9
161.13234	60.7
163.14781	12.4
171.11691	10.2
172.12292	1.6
173.13232	14.0
175.14787	16.8
177.16333	8.0
179.14278	6.3
183.11740	3.3
185.13263	11.0
187.07462	3.0
187.14806	20.9
189.16368	13.9
193.15913	1.8
197.13219	4.3
199.14771	11.8
201.16351	23.8
203.14323	2.2
203.17978	4.6
205.15842	2.9
207.17397	2.3
211.14801	3.8
213.16368	7.5
215.17920	10.5
217.15906	3.4
219.17448	3.4
225.16422	3.3
227.17894	6.2
229.19476	5.6
233.18845	1.7
239.17860	2.2
241.19429	4.0
253.19435	5.4
267.21057	6.4
269.22650	2.0
270.08792	2.3
271.09506	4.1
281.22491	4.4
291.10071	4.5
295.23975	3.1
323.12897	3.6
323.27274	100.0
324.27676	5.8
341.10098	2.7
341.13840	4.5
341.24780	4.7
341.28323	81.1
342.28568	4.2
342.37311	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	341.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05502	48.3
57.03423	1.7
57.07067	50.0
58.07390	1.8
58.16337	1.0
59.44387	1.1
62.89602	0.9
66.57758	1.0
66.91743	0.9
67.05496	16.8
69.03419	1.6
69.07059	100.0
69.72667	7.9
70.07362	1.4
71.04971	1.9
71.08624	35.2
73.06537	2.7
79.05473	8.6
81.07044	49.9
83.04966	3.2
83.08607	71.8
84.08921	2.6
85.06544	9.6
85.09705	2.0
85.10172	23.0
85.10654	1.9
91.05452	5.5
93.07028	15.6
95.08593	45.2
97.06514	11.9
97.10157	51.4
98.10488	2.4
98.21447	2.0
99.08119	1.5
99.11724	3.7
101.06013	2.0
105.07018	12.5
107.08588	20.3
108.17218	1.0
109.06510	4.9
109.10141	28.6
111.07383	1.2
111.08064	7.9
111.11707	34.4
113.09679	1.8
113.13264	2.8
115.07547	11.3
119.08571	13.7
121.10124	15.3
123.08073	5.4
123.11676	14.7
125.09637	5.1
125.13246	16.3
127.07524	5.4
127.14860	1.8
129.09146	6.3
133.10107	11.3
135.11664	10.7
135.49602	1.1
137.05965	4.2
137.09575	5.6
137.13258	6.9
137.14957	1.3
139.11140	4.2
139.14807	4.8
141.09056	4.4
143.10670	3.2
145.10109	2.0
147.10596	1.8
147.11670	15.5
149.13255	9.4
151.11166	9.6
151.14786	2.5
153.12717	4.6
153.16322	1.5
155.10645	4.3
157.12236	3.8
161.13237	14.6
163.14780	4.6
165.12720	14.5
165.16438	1.2
167.14308	5.3
169.12253	6.9
171.13768	3.7
175.14775	5.6
177.16341	4.1
179.14313	18.8
179.17857	1.2
181.15842	2.7
183.13731	7.6
185.15378	3.1
187.14835	1.3
189.16393	5.0
191.17908	3.9
193.15901	7.5
193.19557	1.5
195.17403	2.0
197.15326	5.1
199.16962	2.1
203.17970	1.6
205.19453	4.5
207.17332	2.6
209.19020	1.3
211.16925	3.0
213.18451	2.0
217.19487	2.3
221.18965	2.5
223.20583	2.1
225.18402	1.4
227.20004	2.0
231.20947	3.1
234.29062	1.2
235.20592	2.9
241.21565	3.0
249.22034	2.6
253.21751	1.6
263.27301	6.0
267.23148	1.3
271.09500	2.1
281.44977	1.1
287.27292	10.2
289.63898	1.1
291.10233	1.8
305.28287	12.3
306.28696	2.0
323.29681	2.5
341.13724	1.8
341.28549	1.9
342.37222	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	341.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01865	3.4
55.05505	9.1
57.03427	7.0
57.07053	3.7
59.04987	1.8
65.03909	1.4
67.05495	14.1
69.03410	8.2
69.07058	26.6
69.65888	2.8
69.66315	5.2
71.04990	12.3
79.05476	18.0
81.03410	7.3
81.07044	100.0
83.04977	11.2
83.08597	7.7
85.02885	3.2
85.06535	11.3
85.59729	1.2
91.05442	10.9
93.07027	31.0
95.04955	6.5
95.08600	26.9
97.02875	1.7
97.06512	15.2
97.10150	3.2
99.04382	1.4
99.08081	11.5
100.11252	1.6
103.05444	4.5
103.18050	1.1
105.07011	14.4
107.04942	4.2
107.08583	14.5
109.02874	3.3
109.06503	36.0
109.10143	19.9
109.80600	1.1
111.04410	1.3
111.08035	5.9
111.11710	1.7
115.05427	1.4
115.07545	1.8
117.06995	3.2
119.04923	2.9
119.08579	9.1
121.06480	3.7
121.10131	20.4
123.04436	1.4
123.08100	2.5
123.11693	10.5
125.05985	1.5
125.09619	2.6
127.03899	2.1
127.07540	42.0
128.06155	1.9
129.06967	2.5
129.09085	2.3
131.04906	6.5
131.08568	2.7
133.02835	1.5
133.06471	3.8
133.10129	6.3
135.08032	2.2
135.11662	6.4
137.05965	34.6
137.09592	1.8
137.13194	3.5
138.06268	2.0
139.11169	4.0
143.08548	1.9
145.06454	1.7
145.08566	6.1
145.10095	4.2
146.03586	1.6
147.04401	3.3
147.08081	2.2
147.11670	4.4
149.05914	2.5
149.13220	11.3
151.03911	1.9
151.07501	5.0
151.11172	2.2
151.14864	1.3
153.12753	2.5
157.06447	1.3
157.10066	1.8
159.08009	3.4
159.11659	3.7
160.05197	1.1
161.05948	7.7
161.09595	1.7
161.13261	5.2
162.06656	1.7
163.07542	5.6
163.11047	1.3
163.14761	1.4
165.05548	1.8
165.12700	3.5
167.07063	2.7
167.10480	1.5
167.14268	1.9
171.08067	2.0
173.13202	1.9
175.07466	5.6
175.14702	1.5
177.05464	2.0
177.06906	1.5
177.12677	1.5
177.16370	1.5
179.06989	2.4
179.10695	1.2
187.07440	6.8
189.09033	1.7
189.16382	2.0
190.07716	1.3
191.06975	1.9
191.08531	2.5
194.07333	1.2
195.05603	1.2
195.17485	3.1
197.18961	7.3
199.07584	1.9
199.54272	1.2
201.16362	1.6
203.08549	2.6
203.17868	3.2
207.08029	1.8
209.09550	2.1
211.07478	2.0
213.16362	1.8
217.08533	2.8
219.08032	4.5
221.09671	2.3
222.06682	4.1
223.07445	1.5
227.06973	2.2
231.07985	2.6
234.06732	1.9
235.07591	3.9
237.09010	2.5
238.09872	1.9
239.06990	1.7
247.07484	3.2
248.08282	2.9
249.09111	3.6
250.06305	1.6
251.07001	1.9
251.10625	2.5
253.08630	3.4
255.06694	1.7
259.07486	2.8
263.06989	2.7
263.10522	2.8
265.08548	14.1
266.09174	4.8
267.09827	1.6
271.09647	1.9
277.08487	2.7
278.08966	1.7
279.10129	4.6
281.08325	1.5
281.11636	4.6
287.23773	2.4
291.10074	4.8
292.10956	1.4
293.24771	1.1
295.09586	2.7
297.10965	1.8
305.17401	2.2
305.24686	6.7
308.10318	1.5
309.07666	2.3
309.11142	21.9
310.11618	3.5
311.12759	4.2
313.10657	2.2
313.14154	2.3
323.09299	1.7
323.12692	5.6
323.18680	1.9
323.25662	3.5
341.10178	3.8
341.13788	31.7
342.10501	1.9
342.14200	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1378
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03918	0.9
55.01852	1.3
55.05495	0.9
55.84963	0.7
58.12159	1.0
65.03910	0.9
67.05498	1.7
67.42268	0.8
69.03415	2.0
69.81943	0.7
71.04987	1.0
71.61838	1.2
79.05467	2.3
81.03407	1.2
81.07027	2.1
83.05001	0.9
85.02899	2.0
91.05423	4.4
93.07024	1.3
94.04173	2.2
95.04957	1.5
97.06496	0.8
103.05452	2.0
105.07019	2.3
107.04933	2.6
107.08544	1.3
109.06469	3.4
109.10188	0.8
111.04418	1.4
113.28268	0.8
115.05444	2.1
119.04935	1.8
119.08575	1.1
122.03629	6.2
123.04434	0.9
123.08093	1.0
124.07591	0.8
125.05962	1.4
125.60580	0.8
128.06201	2.7
129.06984	9.9
131.04939	3.7
133.02890	1.3
133.06509	0.9
136.74158	0.7
137.05956	100.0
137.42064	0.9
138.06331	2.1
143.05005	0.9
143.08540	0.9
144.05690	2.7
145.06425	1.0
147.04396	1.9
149.05971	2.4
151.03885	2.3
151.07541	3.4
153.05434	1.8
154.33240	0.8
156.05634	1.4
157.06494	7.0
158.07231	0.9
159.07933	1.1
160.05177	1.8
161.05904	4.3
161.09579	0.9
163.07524	3.3
165.05452	2.1
165.06989	0.9
167.07030	3.4
171.08000	1.8
172.05138	4.8
174.06750	8.9
175.07536	8.3
177.05461	2.9
179.07016	3.1
179.10608	1.2
181.04955	1.2
185.05898	1.7
187.07513	38.9
188.08047	1.2
189.09088	14.5
190.07808	2.2
191.06932	1.8
191.08507	3.7
196.05090	0.9
199.07515	4.1
202.07713	2.6
203.08568	11.0
205.06456	2.2
205.08374	1.0
206.07358	0.8
207.07837	4.8
211.07545	4.4
212.04700	1.1
213.87439	0.9
217.08566	22.8
218.07236	1.9
219.08028	10.6
220.08769	4.4
221.05995	1.3
221.09566	1.3
227.07019	6.4
228.07671	0.9
230.07704	0.8
231.08035	11.6
232.08748	3.4
233.06035	1.9
233.09560	3.4
234.06726	1.3
235.07541	3.0
236.08290	3.0
237.09087	3.3
239.06963	3.9
240.01488	0.8
240.07857	1.9
247.07503	7.1
248.08269	15.2
249.09088	3.7
250.06221	1.1
251.10670	6.0
252.07716	1.2
253.08629	2.5
255.06483	6.4
256.07333	1.5
259.07535	6.2
260.08340	2.4
261.05664	0.7
261.09067	2.8
262.09879	0.9
263.07480	1.1
263.10693	12.3
264.07803	3.1
265.08508	4.7
270.08813	14.8
271.09579	10.8
276.07748	7.8
277.08630	4.7
278.06036	0.9
279.10104	14.3
280.10736	3.2
281.08011	2.3
281.11560	1.0
283.09616	2.2
290.09406	1.0
291.10110	36.4
292.10782	3.5
293.08032	5.3
293.11221	1.5
294.08493	1.0
295.09625	1.3
296.10400	8.9
297.11035	2.9
305.11758	1.0
307.09741	1.0
308.10416	4.6
309.11218	3.1
310.11761	1.2
311.12695	17.5
323.12723	41.3
324.13199	2.7
341.10629	1.4
341.13770	30.3
342.14203	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1378
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.65644	0.7
65.03916	1.5
67.05460	2.0
69.03403	0.9
69.07034	2.2
69.40324	4.8
69.40730	2.4
71.04979	6.0
79.05484	2.6
81.03389	1.1
81.07028	6.2
83.04944	0.8
83.08611	1.3
91.05461	3.3
93.06996	3.8
94.04169	2.1
95.04945	2.4
95.08586	5.0
97.06524	1.4
105.06990	2.8
105.72057	0.9
107.04917	1.9
107.08567	2.0
109.06477	3.5
109.10114	3.5
111.04411	1.1
111.08076	1.3
115.05466	1.9
117.06991	1.6
119.04902	2.2
119.08578	1.1
121.10116	1.6
122.03623	5.7
123.11703	2.4
128.06189	1.2
129.06975	6.5
131.04895	3.0
131.08553	1.4
133.02821	7.1
133.10123	1.2
135.11700	1.7
137.05951	100.0
137.13226	1.8
138.06242	1.4
143.04890	1.2
144.05669	3.6
145.06438	1.8
147.11658	0.8
149.05956	4.5
149.13197	1.2
151.03925	2.2
151.07515	9.3
153.05399	1.6
156.05608	0.8
157.06435	5.5
160.05186	5.2
161.05971	3.4
162.03053	0.9
163.07520	3.5
165.05475	5.0
165.06781	1.2
168.05605	1.6
171.08037	1.3
172.05202	3.0
173.05891	0.8
174.06717	7.4
175.07512	22.7
175.11066	1.0
175.54637	0.7
176.08231	1.7
177.05449	7.9
177.09007	4.4
178.07762	0.9
179.07053	6.1
179.10567	0.9
184.05289	1.0
185.06029	0.9
187.07507	33.8
188.08081	1.0
189.09062	12.4
191.06941	1.0
191.08496	1.8
193.10078	0.9
196.05199	4.8
197.05980	2.1
199.05656	0.8
199.07489	2.7
202.07680	3.3
203.06696	0.9
203.08534	13.2
205.06471	2.6
205.08507	1.8
206.07249	0.9
207.08173	0.8
211.07500	20.9
212.04567	2.5
213.05412	3.6
217.08546	11.9
219.08034	7.3
220.08803	6.1
221.05836	1.0
221.09590	2.7
222.06705	1.6
224.08325	1.2
225.05423	2.8
227.06979	23.3
228.07764	3.9
231.08003	16.6
231.10204	1.5
232.08694	3.0
233.05968	2.6
233.09608	1.4
235.07544	2.1
236.08284	3.0
237.09041	2.4
239.06985	17.1
240.07747	15.1
241.04770	1.8
241.08473	3.2
245.09561	1.2
245.61577	0.9
247.07491	5.9
248.08257	20.6
249.09079	4.0
250.06062	1.2
251.06886	1.4
251.10672	4.1
253.08595	2.1
254.09361	1.7
255.06468	18.2
256.07272	10.5
259.07455	7.4
260.08331	2.5
261.05438	1.0
261.09070	2.7
262.06189	1.2
262.10132	1.1
263.07559	1.3
263.10629	22.8
264.07748	3.4
264.10889	1.3
265.08527	7.9
266.09311	1.3
268.07169	4.5
269.08075	2.6
270.08823	48.6
271.09592	55.7
272.09964	1.1
273.09085	1.1
276.07748	13.9
277.08554	6.4
279.06998	1.2
279.10117	11.2
280.10870	1.5
281.08185	1.0
281.11676	1.6
282.08496	1.0
283.09641	14.4
290.09262	1.1
291.10098	55.6
292.10742	5.7
293.08051	6.3
294.08670	1.3
295.09595	2.2
295.13077	1.0
296.10382	5.5
297.11041	3.9
305.11600	2.1
305.24606	1.7
307.09634	1.3
308.10413	8.0
309.11041	4.4
311.12674	10.7
313.14276	3.5
323.12720	47.4
324.13043	2.2
341.10498	1.3
341.13754	35.1
341.20547	2.0
342.14313	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01843	1.2
55.05493	2.4
57.03413	1.0
57.73070	0.9
65.03932	0.8
66.04703	0.9
67.05488	4.9
69.03411	1.0
69.07069	4.1
69.79469	5.7
71.04981	7.1
79.05496	1.9
81.07046	13.0
83.04971	1.7
83.08599	1.3
91.05456	5.3
93.07011	3.3
93.53979	0.9
94.04153	1.9
95.04942	2.4
95.08595	5.8
97.06506	1.6
97.10176	1.2
100.11266	1.0
103.05454	6.2
105.07011	3.5
107.04929	2.6
107.08560	3.1
109.06486	2.0
109.10140	8.2
111.04382	1.5
111.08030	2.2
115.05398	2.3
117.06971	1.9
119.04911	2.3
119.08585	1.9
121.06510	1.4
121.10116	3.0
122.03627	7.0
123.11693	6.9
124.48425	0.8
128.06224	1.9
129.06975	6.2
131.04916	13.7
131.08502	1.1
133.02849	8.1
133.06502	1.6
133.10083	2.3
134.00378	0.9
135.11647	1.6
137.05956	100.0
138.06296	1.8
139.11169	1.0
141.06909	0.9
143.04884	1.7
144.05664	2.9
145.06464	1.7
145.10068	1.1
146.03624	1.0
146.07240	1.0
147.04379	2.6
147.11691	1.2
149.05991	5.3
149.06943	0.9
149.13225	1.6
151.03859	3.8
151.07518	6.8
151.11081	1.6
153.05447	1.3
153.12659	1.7
157.06479	4.0
160.05202	4.9
161.05997	5.1
161.13200	1.1
163.07538	7.0
165.05455	6.6
165.06764	1.5
167.07048	1.0
168.05638	1.6
169.12073	0.9
172.05144	3.9
173.05840	0.9
174.06738	5.5
175.07512	21.7
176.08240	1.1
177.05482	8.2
177.09085	4.0
178.06279	0.9
179.06955	4.4
185.05865	1.6
187.07516	33.2
189.09087	9.4
190.07687	1.3
191.06955	1.9
191.08545	2.6
196.05179	5.3
197.05894	2.8
199.07497	2.7
202.07690	4.1
203.08568	11.7
205.06474	1.9
205.08427	2.0
211.07506	17.6
212.04698	2.4
213.05400	2.8
217.08549	10.7
219.07993	6.1
220.08792	5.5
221.09486	2.6
225.05286	1.5
225.08972	1.2
227.06981	18.5
227.09059	1.6
228.07672	3.1
231.08017	15.1
232.08740	3.4
233.05951	1.5
234.06670	1.4
235.07462	2.1
236.08142	1.1
237.09059	2.4
239.06987	16.2
240.07782	14.9
241.04881	2.8
241.08498	1.5
245.09770	1.6
247.07492	6.8
248.08281	21.8
249.08952	3.4
251.06943	1.2
251.10617	3.4
253.08592	1.9
254.09320	1.3
255.06500	17.8
256.07217	9.0
259.07492	7.2
260.08316	3.2
261.09058	2.4
262.09848	1.8
263.10617	19.6
264.07803	3.0
265.08591	5.3
268.07294	3.6
269.07999	3.0
270.08850	39.3
271.09604	45.6
272.09790	1.5
274.10007	1.6
276.07770	13.1
277.08487	6.4
279.07230	1.3
279.10120	10.3
280.10858	2.1
281.08041	2.5
281.11584	3.3
282.08609	0.9
283.09604	11.3
284.09918	1.2
287.23578	1.2
291.10098	52.0
292.10776	7.6
293.07901	6.8
295.09595	2.4
295.13077	1.1
296.10355	4.6
297.11044	3.5
305.11649	3.9
305.24673	5.1
307.09555	1.9
308.10251	8.1
309.11182	5.7
311.12708	9.6
313.14319	2.8
323.12723	41.4
323.25812	1.5
324.13110	2.0
341.10486	1.8
341.13770	45.7
342.14093	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03918	2.5
55.01858	3.2
55.05502	8.6
57.03413	1.3
57.07065	2.6
67.05478	5.3
69.03422	7.2
69.07054	7.1
69.73869	10.3
70.68329	1.3
71.04964	4.7
79.05464	6.1
81.03372	2.4
81.07046	13.9
82.06546	2.0
83.04958	4.3
83.08591	3.6
83.39149	1.2
85.02885	2.0
85.06540	2.4
91.05453	11.3
93.07027	8.8
94.04158	2.0
95.04939	5.3
95.08598	9.2
97.06521	3.1
98.21577	1.5
100.07610	2.2
100.11250	18.6
101.11549	3.3
103.05447	4.1
105.07006	16.2
107.04919	5.1
107.08568	5.1
109.02844	1.4
109.06490	4.7
109.10123	8.3
110.05991	2.2
111.04409	3.7
111.08022	1.8
115.05435	5.2
117.06994	2.4
117.17519	1.6
118.51765	1.2
119.04904	4.3
119.08568	6.7
121.06470	2.6
121.10114	5.8
122.03621	5.8
123.08038	1.6
123.11662	4.8
125.05989	2.1
127.07629	1.3
128.06151	2.0
128.07034	1.5
129.06975	5.3
131.04887	5.0
131.08578	2.3
132.05705	1.9
133.02835	3.7
133.06483	11.8
133.10092	4.2
135.11644	2.4
137.05960	100.0
137.09579	1.9
139.11162	2.0
143.04887	1.5
144.05611	1.5
145.06422	3.8
145.10081	1.9
147.04358	3.8
147.08000	3.7
147.11694	2.5
149.05933	5.6
149.13278	1.8
151.03868	3.2
151.07471	7.7
151.11166	2.9
156.05637	1.7
157.06445	3.9
159.08047	4.2
160.05165	1.8
161.05954	23.8
161.13208	4.5
163.07477	3.9
165.05424	2.4
167.07007	4.1
167.10648	1.4
172.05223	3.3
173.13223	1.5
174.06691	3.8
175.07544	25.8
175.14932	1.6
177.05466	5.2
178.07835	1.6
179.07039	3.4
179.10699	2.5
181.08566	6.2
182.15402	4.7
183.15704	3.4
187.07513	39.8
188.08086	1.7
189.09061	8.2
190.07660	2.5
191.06949	2.6
191.08524	6.0
196.05284	1.5
199.07523	3.4
200.18295	1.7
202.07690	2.8
203.08641	7.3
203.10170	1.4
205.08450	1.8
206.07269	3.4
207.08040	1.7
207.09897	1.9
209.16467	2.9
210.14825	5.8
211.07478	9.7
211.15219	4.4
213.67935	1.8
217.08516	12.3
219.08003	9.7
220.08720	3.8
221.09624	2.4
223.07483	1.7
227.06979	4.5
227.17458	3.8
229.15941	1.4
231.08029	11.1
232.08592	1.5
233.09459	1.4
234.06795	2.8
235.07486	2.0
236.08243	2.4
237.09102	2.1
239.07030	10.5
240.07782	4.3
247.07405	4.3
248.08253	10.7
249.08992	4.8
251.06834	2.0
251.10664	10.7
253.08421	2.1
253.12212	2.4
254.09346	1.9
255.06454	3.2
256.07254	3.6
259.07489	3.4
261.08957	2.7
263.10611	8.6
264.07767	2.9
265.08453	6.1
266.09491	1.8
268.07196	1.6
270.08868	7.6
271.09641	22.1
276.07852	7.1
277.08459	4.6
277.22812	9.9
277.73056	1.9
279.10016	13.3
280.10596	1.8
281.08026	2.5
281.11575	3.2
283.09570	5.3
287.23639	2.2
291.10095	30.1
292.10641	3.5
293.07941	2.3
293.24567	1.7
295.09805	2.1
295.88977	1.4
296.10309	3.9
297.11130	2.7
305.24765	2.6
308.10425	4.3
309.11148	12.9
310.11639	2.0
311.12720	15.7
313.14224	3.3
323.08987	1.3
323.12646	22.5
323.25781	1.9
324.12799	1.6
331.75125	1.9
340.76031	3.6
341.10022	3.7
341.13806	35.6
342.14160	2.6
343.30847	2.7
344.30811	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03536	1.0
55.01854	1.9
55.05491	1.1
55.82310	0.9
57.03416	1.3
58.53274	0.9
65.03922	1.2
65.41599	0.9
67.05470	0.9
69.03427	7.2
69.84798	4.7
71.04975	2.7
72.57064	1.0
79.05473	2.5
81.03401	4.3
81.07032	4.6
83.04933	1.1
85.02913	1.3
85.06503	1.3
89.37423	0.9
91.05455	5.1
93.07021	1.2
94.04173	2.9
94.98180	0.9
95.04937	2.1
95.08594	1.3
99.04466	2.4
103.05450	2.2
103.28080	1.0
103.53944	0.8
105.07025	3.3
107.04942	2.4
107.08585	2.6
109.02827	1.2
109.06501	3.8
111.04456	1.5
115.05450	1.5
119.04933	2.3
121.06471	2.4
121.10076	1.5
122.03650	6.3
123.04449	1.6
124.07503	1.0
125.06021	1.6
125.89341	1.0
128.06215	2.7
129.06990	10.8
131.04901	3.4
131.08543	2.0
133.02818	2.7
133.10095	2.6
137.05962	100.0
138.06319	1.3
143.08514	2.2
144.05653	4.8
145.06470	1.8
146.07225	1.4
147.04367	2.1
149.05971	2.7
151.03900	2.5
151.07550	5.1
153.05414	1.7
156.05684	1.6
157.06490	6.4
158.07207	1.4
159.04453	1.1
160.05139	2.4
161.05937	6.5
161.07111	2.3
161.09628	1.2
163.07523	2.5
163.08696	1.9
165.05473	3.3
167.06992	3.3
171.08038	2.2
172.05186	6.5
173.05907	1.5
174.06755	13.2
175.07503	10.9
177.05479	3.0
179.07039	3.5
179.10674	1.2
183.06503	2.0
187.07524	53.7
188.08224	2.4
189.06616	1.8
189.07202	1.3
189.09084	21.6
190.07864	1.2
191.06932	1.7
191.08473	5.0
196.05077	1.1
199.07526	7.0
202.07838	3.1
203.08531	10.9
205.06540	1.1
207.07652	29.5
208.08717	2.7
211.07504	6.9
217.08560	32.6
217.10620	1.8
218.07210	1.7
219.07985	10.3
220.08746	5.2
221.09613	1.6
225.08978	1.6
227.06894	1.4
231.08051	10.7
232.08894	2.5
233.09543	2.3
235.07568	2.8
236.08282	4.0
237.09146	2.5
239.06927	4.5
240.07768	4.9
247.07489	9.2
248.08287	14.6
249.09023	3.2
251.10600	7.0
253.08626	3.6
255.06520	2.2
256.07303	2.3
259.07520	4.7
260.08432	1.5
261.09058	3.0
263.07483	1.6
263.10623	14.7
264.07828	4.0
265.08527	5.4
268.07251	1.8
270.08826	3.7
271.09604	14.8
276.07794	6.8
277.08539	4.4
278.06030	1.2
279.10129	17.7
280.10892	2.2
281.08173	3.3
281.11475	1.8
282.09061	1.2
283.09680	3.2
291.10132	36.2
292.10733	4.4
293.08060	7.1
293.11212	1.6
295.09714	2.3
296.10400	10.9
297.11075	2.8
305.11841	1.2
308.10419	4.0
309.11060	2.4
311.12744	24.7
313.10901	1.4
313.14157	1.6
323.12634	51.5
324.13028	2.0
341.13684	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	341.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01849	4.5
55.05501	2.5
57.03419	6.6
67.05489	5.2
69.03421	11.9
69.07045	6.0
69.89516	4.9
69.89927	2.9
71.01342	1.7
71.04967	2.6
73.02914	12.3
78.04681	1.7
79.05476	11.1
81.03419	2.0
81.07043	15.7
83.04980	3.4
85.02892	5.0
85.06509	2.1
91.05465	15.9
93.07031	10.7
95.04942	6.7
95.08590	7.9
97.02882	13.9
97.06535	3.4
97.10107	1.8
97.90427	1.5
98.21492	1.6
99.04445	2.2
99.08086	2.1
103.05466	11.3
104.06237	2.4
105.03355	2.7
105.07021	49.0
107.04963	7.4
107.08584	6.7
109.02885	2.0
109.06542	1.9
109.10152	7.1
111.04409	2.5
111.08045	2.2
113.93005	1.6
115.03931	4.8
115.05441	12.5
117.03387	1.8
117.07008	5.1
118.04122	2.7
119.04934	5.3
119.08562	3.9
121.06493	12.2
121.10130	6.2
122.03630	3.1
123.04414	4.9
123.11683	6.0
124.05196	2.4
128.06212	2.3
129.06972	3.5
130.04109	4.8
131.04915	10.7
131.08542	2.6
132.05684	5.0
133.02867	7.2
133.06477	43.3
133.10120	4.7
134.03638	1.5
135.04396	3.7
135.07993	2.2
135.11682	3.5
137.05965	48.9
137.09575	2.2
137.13286	1.9
139.03926	2.1
139.11180	1.8
143.06001	2.3
143.08546	4.6
145.02863	1.6
145.06476	6.7
146.03603	1.7
147.04405	14.5
147.08031	5.1
149.05972	22.2
149.13216	1.6
150.06783	10.6
151.07538	15.7
151.11142	2.3
153.07030	1.9
153.12737	2.7
157.06445	3.6
159.04410	1.7
160.05122	2.8
161.05966	48.4
161.09607	1.8
161.13240	2.6
162.06778	12.4
163.07527	5.1
165.05484	1.9
165.06902	1.6
167.07027	55.1
169.04958	13.1
171.04393	5.2
171.08066	3.7
173.05984	6.5
174.06755	2.9
175.07516	13.8
177.05455	19.2
178.06253	2.4
178.07704	2.1
179.06958	4.6
179.10751	1.7
181.08583	7.3
187.07510	8.4
189.05428	2.9
189.09103	2.2
191.06995	4.0
191.08537	3.3
192.74933	1.6
193.08585	100.0
194.08931	1.9
199.07510	5.9
202.07761	2.9
207.06471	6.4
209.08052	16.0
213.16362	2.0
217.08501	7.0
219.08012	4.4
220.08720	2.2
221.08049	5.1
235.07454	2.5
237.09126	3.6
245.09683	2.4
247.07481	3.5
248.08344	2.6
249.09076	2.9
251.10773	2.0
263.06973	2.7
263.10675	3.9
264.07697	1.9
265.08746	4.0
277.08438	4.0
279.06516	1.5
279.10074	5.5
280.07324	2.0
291.10254	7.2
295.09610	6.8
295.12949	1.5
297.11139	15.5
305.24683	3.9
309.11151	9.4
311.12793	5.2
313.10501	2.4
313.13879	1.9
323.12784	15.8
325.07358	1.7
341.10532	2.0
341.13885	22.2
342.14209	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0863
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03936	0.2
55.01864	0.2
55.05489	0.1
57.03415	0.2
61.02911	0.3
67.05527	0.2
69.03419	1.2
70.06570	0.2
71.16562	0.4
73.02899	0.3
77.03914	0.2
81.03398	0.4
81.07037	0.2
83.07269	0.1
85.02894	2.0
87.04443	0.2
89.03871	0.4
91.05798	0.2
95.04938	0.3
95.08612	0.2
97.02885	1.0
99.04440	0.2
103.05473	0.1
105.03355	0.4
107.04989	0.1
108.16733	0.2
109.02853	0.5
117.03339	0.2
123.04416	7.7
127.03908	0.5
133.02837	6.9
135.04399	1.6
137.05952	0.8
145.04942	0.3
147.04382	0.3
151.03899	3.2
153.01793	0.2
161.02304	0.2
161.05968	0.2
175.07498	0.2
179.03375	100.0
180.03705	1.5
183.06390	0.2
187.07536	0.4
189.12794	0.2
200.44461	0.2
216.63965	0.2
217.08502	0.2
291.10397	0.2
323.12784	0.3
341.08600	2.5
341.12985	0.3
341.17081	0.2
359.02765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	6.1
55.05503	12.1
57.03429	5.0
64.68906	1.8
66.02830	1.8
67.05495	46.2
67.41367	1.9
69.03416	5.8
69.07048	9.0
79.05475	16.0
81.07047	52.2
82.19602	2.5
83.04957	17.8
83.08595	4.2
85.06531	6.5
91.05467	30.8
93.07027	29.4
95.04964	7.2
95.08597	16.6
97.06512	2.5
97.10120	2.9
105.06364	1.6
105.07012	39.8
107.04987	3.9
107.08578	48.3
109.06517	7.4
109.10145	61.9
110.10437	3.1
117.07045	3.4
119.08555	8.6
121.10126	8.7
123.08040	3.0
123.11703	17.3
129.07024	3.8
131.08528	5.0
133.10112	100.0
134.10419	3.2
135.08022	2.7
135.11629	4.8
145.10091	5.5
147.11642	3.2
149.09590	5.9
151.07565	12.0
151.11160	97.3
159.11624	4.2
161.09544	2.3
171.11591	2.9
177.09047	6.4
179.10617	15.2
183.13774	36.3
187.07571	2.5
187.14783	3.4
189.09096	2.4
191.10605	2.8
220.18468	2.1
229.14238	5.0
245.19128	3.2
263.19824	2.2
273.18475	6.0
276.72711	3.7
277.22940	2.5
291.19504	9.3
305.21130	6.8
319.75858	2.0
323.53452	2.4
341.21054	4.8
341.24646	5.8
341.28250	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2888
Annotation	7alpha-Methoxy-8-labdene-3beta,15-diol
Peak:m/z	Relative Intensity
55.05502	23.8
57.03432	4.7
57.07067	8.5
59.04993	0.9
65.03893	0.8
67.05157	1.3
67.05495	15.2
69.07057	34.2
70.06723	0.8
70.07384	0.9
70.41869	3.1
71.04983	9.9
71.08614	4.6
73.06542	1.1
74.36192	0.7
75.68619	0.8
76.27640	0.7
78.85663	0.8
79.05473	8.8
80.12812	0.8
81.07046	46.7
83.04939	2.1
83.08607	19.2
85.06540	2.1
85.10178	1.5
91.05465	2.8
93.07030	20.1
94.54541	0.9
95.04932	1.2
95.08594	36.5
97.06520	3.6
97.10152	13.5
99.08067	4.2
100.11185	1.0
105.07033	5.0
107.07858	1.3
107.08584	20.7
107.09287	1.5
109.06535	2.9
109.10139	26.0
111.08079	6.5
111.11712	4.9
117.07050	1.5
119.08548	4.7
121.10122	15.7
123.08057	4.5
123.11691	15.8
125.09592	1.8
125.13280	1.4
127.07571	2.2
127.11158	2.2
131.08560	1.7
133.06429	0.8
133.10106	5.1
135.11688	12.1
137.09625	2.5
137.13251	10.1
139.11218	1.3
140.12692	0.7
141.12738	2.7
145.10139	3.3
147.11618	4.6
149.13229	10.0
151.11130	4.4
151.14839	3.4
153.12749	1.8
155.14281	0.9
157.10248	1.2
159.11681	5.1
161.13257	4.6
163.14799	9.4
165.12749	4.5
165.16385	1.2
169.15872	1.4
173.13260	2.7
175.14818	4.2
177.12785	1.9
177.16457	2.6
179.14333	1.9
187.14815	1.4
189.16345	1.9
191.18007	1.8
195.17464	1.9
201.16444	1.4
203.17944	1.2
205.19614	2.2
207.17439	1.1
211.20613	2.1
217.19571	3.2
219.21242	1.1
229.19502	1.3
265.25528	1.0
275.27271	6.2
276.72745	1.3
285.25760	3.6
293.28369	16.8
293.31433	1.5
303.26779	13.4
303.29916	1.4
321.27838	100.0
322.28244	3.3
329.93350	0.9
339.28979	70.2
340.29282	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	339.2525
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03936	2.1
55.01855	2.3
55.05506	17.6
57.03420	6.8
57.07062	8.1
57.07296	1.3
60.01692	1.5
64.60376	1.6
67.05494	84.6
68.05836	2.4
69.07050	19.0
71.04981	4.6
75.04460	1.8
79.05049	3.0
79.05479	37.9
81.03375	1.4
81.07045	93.5
82.07347	2.0
83.04965	2.1
83.08598	12.7
85.06533	6.9
91.05465	21.5
93.07030	52.6
95.04955	2.7
95.08593	100.0
97.06525	4.9
97.10148	6.5
98.20754	4.4
99.04429	1.8
99.08083	3.4
105.07012	19.5
107.08576	44.4
109.06474	2.0
109.10144	57.7
110.10461	2.8
111.11681	3.5
113.09559	1.6
117.07004	8.8
119.08574	20.5
121.06480	1.6
121.10130	41.3
123.08075	3.6
123.11687	23.4
125.09602	2.8
131.08562	19.1
133.10118	21.4
135.11682	34.1
137.09607	3.6
137.13214	7.6
139.11176	2.2
145.10085	19.9
147.11659	17.0
149.13243	21.7
151.11168	5.2
151.14816	2.5
153.12717	1.7
159.11671	21.2
161.13202	6.9
163.14830	9.1
165.12711	3.7
173.13199	15.9
175.14822	2.4
177.12675	2.3
185.13242	2.6
187.14796	5.0
189.16393	2.3
191.14212	2.4
195.13907	1.6
201.16411	4.5
203.17924	2.2
209.21529	1.7
219.17169	1.5
219.21082	5.9
229.19464	34.4
230.19882	2.1
247.20537	94.0
248.20869	5.4
265.21649	10.3
283.16873	3.6
303.23279	2.0
321.24258	18.5
321.27826	3.9
339.12271	1.7
339.25369	36.4
340.26041	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	339.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41752	0.9
52.16982	0.8
53.03937	1.2
55.01832	1.1
55.05497	6.1
57.03427	1.8
57.07067	2.3
59.04984	1.8
61.02913	1.0
67.05496	25.9
67.05863	1.3
68.05797	1.1
69.03418	5.7
69.07050	4.4
70.06573	1.4
70.07362	1.1
71.04984	78.4
73.02890	1.0
79.05493	4.7
81.03400	3.1
81.07047	61.3
82.07368	1.3
83.04948	1.2
83.08629	2.2
84.04504	1.3
85.02897	8.3
85.06533	14.3
87.04462	1.1
91.05433	4.4
93.07014	1.2
95.04946	1.1
95.08584	14.2
96.08924	8.7
97.02866	2.7
97.06532	2.6
97.10117	2.0
99.04449	1.4
99.08044	2.7
105.07013	1.7
107.04957	4.4
108.08147	0.9
109.02834	3.1
110.06019	2.8
111.04464	1.2
111.91643	0.9
112.07561	1.7
115.07544	1.8
116.07868	1.2
119.04942	6.4
119.08546	1.3
120.08101	1.0
121.10116	1.0
122.06013	15.7
123.04424	0.8
123.08051	1.8
123.11694	18.8
124.07568	2.2
124.08396	2.5
127.03901	2.7
131.04889	2.1
135.04330	1.8
136.07558	11.3
137.05949	1.2
139.03889	1.7
140.06964	0.9
141.09128	4.0
141.12720	100.0
142.09425	3.9
142.13037	2.8
145.02852	1.1
147.04390	35.8
148.04832	1.2
149.05957	4.8
150.05479	7.6
152.07022	4.0
154.08609	14.3
159.10234	5.0
159.13783	50.5
160.10469	4.7
160.14128	1.3
163.03912	1.8
164.07047	7.0
166.08655	1.2
167.07068	1.3
168.06517	2.3
172.09628	2.3
176.03384	2.7
177.03787	3.3
177.05446	4.7
177.14835	39.0
178.04971	3.1
178.15228	1.0
180.06535	1.9
182.08109	3.5
198.07536	0.9
203.03438	2.1
219.02731	0.8
257.13007	1.0
258.11130	1.3
261.08835	1.2
261.11905	0.9
275.13727	0.9
285.12231	1.2
289.08081	1.6
303.13272	5.6
307.09344	1.4
321.10880	2.0
321.14362	8.7
322.12921	1.0
339.11850	4.0
339.15442	8.6
340.10080	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21072	0.4
50.58121	0.4
53.03937	0.9
54.21914	0.5
55.01862	0.8
55.05492	1.0
57.03424	0.7
65.03923	0.9
67.05494	3.0
69.03407	1.7
69.07061	1.1
70.62802	1.6
71.04973	2.4
73.02883	0.9
79.05484	3.5
81.03392	2.1
81.07037	9.0
82.06557	0.6
85.02885	1.9
85.06517	1.3
87.04433	0.5
91.05453	4.9
93.05783	1.3
93.07027	2.2
94.06550	3.6
95.04971	1.6
95.08595	1.5
96.04499	0.6
96.08103	2.7
97.02873	1.0
97.06504	1.0
101.05978	0.8
105.07000	0.8
106.06453	1.1
107.04940	1.1
107.08580	0.7
108.08080	2.7
109.02853	1.1
109.05247	0.7
109.06493	1.3
110.06012	8.9
111.04436	0.5
112.07624	1.1
119.04908	8.7
120.04448	1.4
120.08086	0.6
121.06512	0.5
122.06001	19.1
123.06810	3.1
123.08038	1.0
123.11701	1.0
124.07567	16.5
126.05458	0.7
127.03897	1.3
134.05991	16.9
135.04367	0.9
136.07547	83.4
137.05945	1.1
137.07893	1.5
138.05502	1.4
140.07042	7.2
141.09122	1.1
141.12677	2.7
142.09462	0.6
145.04868	0.5
147.04378	39.4
148.04716	1.0
149.05951	4.2
150.05461	7.7
152.07033	100.0
153.07370	0.9
154.08577	1.7
158.08087	1.9
159.10162	0.9
159.13792	2.0
161.05943	0.9
164.07033	99.5
165.05428	0.7
165.07396	2.0
166.08614	1.7
167.07011	0.9
168.06541	3.2
168.07808	0.5
170.08093	16.8
170.09566	0.8
172.11145	1.3
177.05412	3.0
177.14861	1.6
178.04912	0.7
182.08098	34.8
186.12715	0.6
200.10672	1.9
214.12289	1.7
219.02921	0.8
232.13292	1.7
242.11690	2.0
243.11397	1.1
257.12912	0.6
260.12753	4.3
285.12238	3.0
289.08371	0.5
303.13318	66.5
304.13647	1.1
307.09500	1.0
321.14352	24.3
339.11667	1.6
339.15475	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.107
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
55.01868	0.3
55.05491	0.5
57.03408	0.3
59.04984	0.4
61.02904	0.2
65.03928	0.9
67.05482	0.6
69.03403	0.9
71.04981	0.3
71.36912	0.4
73.06509	0.2
79.05458	0.3
81.03429	0.4
81.07051	0.9
83.04987	1.0
83.08609	0.2
85.02886	1.4
85.06495	0.4
87.04469	0.3
89.03864	0.2
91.05464	7.9
93.02676	0.2
93.03378	0.5
93.07016	0.5
95.04977	0.6
95.08586	0.4
97.02893	0.3
97.06508	0.3
99.04414	0.2
101.06028	0.4
105.07016	0.4
107.04973	0.3
107.08546	0.2
109.02849	0.7
109.06503	0.3
110.06033	0.6
111.04430	0.8
117.03358	0.2
117.91718	0.2
119.04922	20.0
120.05270	0.7
120.08098	1.2
121.02872	0.4
121.10062	0.2
122.06003	0.5
123.04446	0.3
123.08027	0.2
123.11725	0.5
127.03899	0.5
129.05505	0.3
135.04369	0.3
136.07535	0.3
137.05908	0.3
139.03920	0.2
140.07048	0.5
141.12715	0.5
143.06944	1.0
145.02849	0.5
145.04984	0.2
147.04382	100.0
148.04713	3.4
149.05934	1.3
151.03886	0.2
152.06920	0.2
159.08067	0.3
159.13747	0.3
159.29655	0.2
161.05933	0.3
161.08064	0.2
163.03848	0.3
165.05467	0.5
166.08597	0.4
167.07072	0.2
176.03375	0.4
177.01692	0.2
177.03966	0.4
177.05417	1.8
182.08121	0.2
191.03307	0.5
195.02992	0.3
207.02925	0.4
216.09953	0.2
219.02855	3.9
225.03905	0.4
228.60509	0.2
233.04327	0.3
237.03987	0.2
258.04053	0.3
261.03830	1.3
291.05084	0.2
303.04971	0.2
307.09485	0.2
321.09485	0.3
322.12903	0.3
339.07742	0.8
339.11874	0.4
339.18774	0.2
340.13995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18134	1.5
53.03932	3.5
55.01858	4.5
65.03915	2.9
67.01848	1.9
67.05487	3.5
68.25953	1.8
68.99772	7.1
69.03416	7.2
71.60847	3.0
79.05489	3.8
81.03397	5.3
83.01344	2.3
83.04939	2.0
85.02875	8.5
86.31492	1.5
89.20212	1.8
91.05466	4.4
93.03358	1.8
95.04932	4.2
95.08599	2.2
97.02871	9.0
97.06517	1.8
105.07001	2.1
107.04939	6.2
109.02895	8.0
111.04423	5.6
113.02354	3.5
114.73302	1.7
119.04909	5.0
121.02833	4.6
122.03676	2.1
122.05981	2.2
123.04397	10.2
124.07592	2.2
125.02331	5.6
126.03096	2.1
127.03883	7.7
131.04877	3.2
133.02812	5.5
135.04384	10.2
136.07562	2.7
137.02307	5.3
137.05998	2.1
139.03885	100.0
140.04684	18.2
141.01840	3.4
143.03354	2.6
145.02824	3.3
145.06425	2.2
147.04391	23.0
149.02274	2.8
149.05962	14.1
151.03911	12.1
152.07072	4.1
153.01843	8.2
153.05452	3.1
154.02582	2.4
155.03365	64.8
159.04393	4.1
161.05936	1.9
161.07094	7.2
162.07736	1.6
163.03860	22.5
164.07045	5.0
165.01732	2.0
167.03362	6.5
167.07033	2.6
168.04184	16.5
169.04895	5.1
175.04012	3.3
177.05396	21.8
177.06647	2.0
179.03389	11.0
181.04936	14.5
187.03851	7.3
189.05405	2.9
191.03339	3.6
193.04880	2.8
197.04463	2.0
201.05533	2.3
201.10220	2.0
203.03381	29.8
205.04973	10.7
207.11270	4.7
215.03340	4.1
217.04993	3.7
229.04903	5.3
229.09578	2.2
231.02858	2.0
233.04475	9.5
233.12842	2.3
235.06053	1.9
237.02646	2.3
247.05994	8.6
247.14456	2.5
251.05502	5.8
257.04282	3.3
257.12900	1.9
258.04666	2.0
258.33826	1.6
259.06110	1.8
261.03934	2.8
275.05563	4.6
275.13785	3.1
277.07196	2.1
295.04407	5.5
303.04904	6.3
303.13303	6.7
306.07291	5.7
321.06064	25.6
321.09717	2.7
321.11115	1.8
321.14368	15.0
339.07178	24.8
339.11594	9.8
339.15436	33.9
363.33456	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.273
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03931	3.0
55.01852	2.5
55.05259	1.6
55.05500	22.3
57.03414	2.6
57.07061	14.5
59.04980	1.4
62.91415	1.1
65.03917	1.2
67.05491	30.3
69.03430	5.6
69.07054	51.9
69.79172	7.8
71.04975	13.7
71.08614	4.7
72.20156	0.9
79.05478	15.9
81.03384	2.5
81.07040	98.0
82.07368	2.1
83.04966	7.6
83.08601	34.3
85.06534	10.9
85.10116	1.7
91.05458	12.2
93.07025	41.6
95.04954	10.3
95.08588	66.7
95.56443	1.2
97.06507	12.7
97.10156	7.7
98.21533	1.2
99.03900	1.4
99.04438	13.7
99.08064	3.5
101.05988	2.5
105.07005	34.0
107.08572	49.8
109.02851	3.9
109.06501	20.0
109.10136	58.8
110.10406	1.2
111.08037	9.3
111.11709	5.6
115.07541	1.1
115.88318	1.2
117.05465	1.9
117.07037	1.5
119.08554	21.9
121.06450	1.6
121.10123	29.6
123.04446	1.1
123.08054	12.0
123.11685	32.6
124.12047	1.0
125.05917	2.2
125.09594	3.1
125.13217	1.6
127.03876	1.3
127.07539	13.9
127.11168	12.4
131.08539	5.0
133.10101	31.5
134.10423	1.3
135.08046	4.6
135.11659	27.3
137.09601	3.6
137.13237	16.7
139.07516	2.1
139.11171	2.1
141.09100	1.2
142.07851	1.6
143.08527	2.2
145.10091	8.6
147.08026	1.7
147.11655	36.7
149.09517	5.2
149.13225	22.3
151.11153	76.5
151.14798	3.6
153.09094	2.6
153.12746	7.2
155.10637	11.3
155.14294	1.6
157.10114	3.5
159.11690	5.2
161.09596	2.6
161.13226	10.6
163.11159	6.3
163.14694	5.2
165.12747	13.5
165.16341	3.3
167.10635	5.3
167.14267	4.8
169.12212	3.3
171.11647	4.6
173.13228	3.9
175.11191	8.0
175.14824	3.1
177.12746	3.6
177.16371	5.3
179.10651	13.1
179.14247	1.9
179.17906	3.9
181.12201	9.0
183.13762	1.2
185.13260	1.7
187.14775	4.9
189.12720	6.1
189.16389	2.5
191.14217	1.9
191.17928	2.8
193.12198	22.4
193.19345	1.5
195.13791	4.6
197.11681	1.8
199.14786	3.6
201.16383	2.5
203.14311	2.2
203.17960	5.5
205.19511	5.6
207.13753	14.6
207.17424	1.4
209.15355	5.5
209.19037	3.9
213.16344	3.1
215.14378	1.8
217.15886	2.1
221.15413	1.9
221.18959	3.7
225.14671	2.2
227.17993	2.0
229.14307	8.8
233.15338	2.3
235.17009	1.9
237.18518	2.1
245.18958	2.3
249.18416	3.3
259.24060	3.2
263.19870	6.2
273.22195	1.7
273.25659	2.6
283.21085	2.0
283.24042	7.7
291.26761	4.7
301.21582	5.9
301.25204	14.3
319.22861	3.9
319.26248	75.7
320.26599	3.9
337.10776	1.8
337.16312	3.5
337.27310	100.0
338.27628	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2731
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03933	2.3
55.01851	1.4
55.05500	17.7
57.03411	1.2
57.07073	9.6
59.04981	1.4
59.32780	0.9
65.03925	1.3
67.05494	25.4
69.03403	3.1
69.07056	34.4
71.04972	4.6
71.08616	7.8
76.66769	0.8
79.05483	15.4
81.03407	2.4
81.07042	100.0
82.07373	1.9
83.04984	4.6
83.08607	17.0
85.02879	2.6
85.06523	13.3
90.69696	0.8
91.05463	9.9
93.07026	38.7
95.04956	3.4
95.08590	81.3
95.18432	0.8
96.08912	3.0
97.02864	1.5
97.06516	6.9
97.10154	8.0
99.04427	4.4
99.08069	3.2
101.05998	2.5
105.06362	1.5
105.07010	16.4
107.08574	43.1
108.08907	1.2
109.02905	3.8
109.06510	9.4
109.10137	69.3
110.10474	1.8
111.08060	2.9
111.11717	4.1
113.06001	1.0
113.09600	1.2
115.07542	1.9
117.07011	2.0
119.08560	13.4
121.06462	2.0
121.10124	32.7
123.08056	6.7
123.11681	38.5
124.12041	1.1
125.05988	1.3
125.09612	3.2
127.03889	2.6
127.07529	8.8
127.11169	3.0
130.07860	1.1
131.08540	3.4
133.06439	1.0
133.10114	17.1
135.08023	3.9
135.11670	30.6
137.09598	4.6
137.13226	29.4
138.13547	1.2
139.07529	1.8
139.11142	3.2
141.09065	2.3
143.08542	2.0
143.10570	0.9
145.10086	5.9
147.08003	1.7
147.11652	13.6
149.09581	3.2
149.13235	25.0
151.07513	0.9
151.11148	14.2
151.14777	2.9
153.09068	3.5
153.12737	2.8
155.10646	2.3
155.14334	1.0
157.10109	2.7
159.07942	0.8
159.11635	5.8
161.09583	0.8
161.13203	7.8
163.11154	3.7
163.14792	6.7
165.09027	1.1
165.12711	7.7
165.16402	2.7
167.10725	3.9
167.14333	2.2
169.12207	1.4
171.11615	2.2
173.13239	3.3
175.11182	3.2
175.14780	3.4
177.12762	5.3
177.16405	6.3
179.10641	2.8
179.14299	2.5
179.17929	2.2
181.12204	7.7
183.13701	1.4
185.13242	1.8
187.14830	2.1
189.12630	2.0
189.16347	2.5
191.14256	2.2
191.17964	3.7
193.12175	4.2
195.13771	8.8
195.17548	1.0
198.52429	0.8
199.14873	1.7
201.16342	2.1
203.17924	3.0
205.15799	0.9
205.19502	8.7
206.07312	1.3
207.13771	3.7
209.15375	4.6
213.16402	1.5
215.17958	2.3
217.15910	1.3
217.19501	0.9
219.17419	1.3
221.15254	1.4
221.18936	1.9
223.16902	2.0
223.20598	2.4
227.17841	1.4
231.08008	1.2
231.17415	1.2
233.18907	1.6
234.06769	1.3
235.16956	3.2
237.18477	1.7
245.19093	1.3
249.08894	1.1
249.18492	2.9
259.24268	1.3
263.19949	6.0
273.25629	1.3
277.08560	2.6
279.06616	1.2
283.24109	4.2
291.26990	2.0
301.21671	2.7
301.25226	7.6
305.07800	1.5
319.22946	2.2
319.26251	55.4
320.26691	3.4
337.10605	9.0
337.16626	2.2
337.23691	2.0
337.27322	28.0
338.11102	1.4
338.27640	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1393
Annotation	Semilepidinoside A
Peak:m/z	Relative Intensity
53.03937	1.5
55.01857	2.1
55.05513	1.2
56.96555	7.8
57.03432	5.0
58.52728	1.0
61.02904	5.1
69.03082	1.0
69.03424	12.8
69.07050	3.2
69.62856	6.5
70.02934	1.5
70.06576	1.9
71.04973	1.3
72.04472	0.9
73.02909	2.5
73.06559	0.9
77.89608	1.0
79.05445	1.0
79.43248	0.9
81.03424	5.8
84.96030	1.5
85.02897	36.4
86.09692	8.0
87.04444	2.1
91.03944	0.9
91.05444	1.7
94.06538	2.7
97.02885	13.6
97.06509	1.0
98.97568	7.0
99.04438	3.5
101.00852	1.3
103.03952	2.0
105.03368	2.4
106.06547	1.0
107.04932	1.5
109.02853	5.5
110.06054	1.4
112.07584	1.0
113.05991	1.2
115.28108	1.0
116.98604	5.2
117.05732	2.4
118.06532	14.3
119.00170	1.7
119.01882	5.8
119.73940	1.1
120.04420	2.6
121.01659	2.2
123.49751	1.0
127.03912	10.2
128.80327	0.9
128.98590	2.8
130.06508	32.1
131.00162	1.0
131.01852	2.0
132.03430	1.9
132.04436	37.5
133.01637	2.3
133.04800	1.1
134.05989	2.9
134.99646	3.6
135.04343	1.5
135.79703	1.1
136.07530	0.9
137.02928	1.1
137.05975	3.6
139.03883	2.1
140.07014	1.2
141.05414	1.4
143.00182	1.9
143.01917	1.6
144.08075	11.3
145.01654	2.9
145.03409	4.2
145.04990	4.8
146.05994	39.6
146.99588	2.8
147.09128	1.0
149.01239	1.1
151.06320	1.5
153.01816	9.1
154.06458	1.4
155.01889	2.9
156.06859	1.7
156.08087	1.7
157.01672	1.4
157.03436	3.9
157.07587	26.4
158.06000	33.0
158.08093	3.0
158.99611	2.4
159.06413	1.2
161.01195	1.6
161.02945	2.2
162.99126	1.0
163.02718	5.4
163.03972	1.9
163.06006	1.1
165.00670	1.8
167.06998	2.2
169.07556	2.4
170.06024	2.1
170.08301	1.8
170.99687	1.3
171.09187	3.6
172.07487	5.2
173.02907	3.1
174.05489	61.7
175.02740	2.7
175.04521	1.9
175.06128	4.6
175.08655	56.6
175.14433	5.7
176.07085	1.6
176.09030	1.4
176.12849	1.2
177.00699	2.6
177.05780	1.8
181.03716	1.5
181.07538	1.7
182.05988	1.2
183.09239	1.0
185.06831	1.5
186.07852	7.1
187.02762	1.3
187.06389	3.1
187.08646	10.2
199.08632	10.3
200.07034	18.5
205.03764	2.0
205.07472	1.2
212.07242	1.1
217.01881	2.3
217.09698	100.0
218.10040	4.6
219.01743	3.5
221.03212	2.3
221.05078	2.3
223.04752	3.1
229.01872	1.9
235.02840	1.4
237.02878	4.8
239.04291	2.6
241.06349	1.3
242.07388	1.9
245.05096	1.4
247.06631	5.0
258.07587	1.8
263.00626	1.3
265.07751	2.1
275.09348	1.3
276.08606	6.4
277.09561	4.8
294.09793	3.7
295.06973	1.7
295.10675	7.7
301.11804	4.3
308.06949	1.3
319.03223	1.9
319.08780	1.9
319.12762	6.9
320.13196	1.1
337.04318	1.8
337.14371	21.0
338.09363	1.6
338.13684	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90594	0.8
62.69064	0.9
70.64872	3.6
90.54971	1.2
101.00838	0.9
114.52071	0.9
119.01878	3.1
141.80376	1.0
145.03421	3.1
148.22220	1.0
151.68262	1.1
173.02992	1.2
217.01837	2.9
235.02873	1.2
247.06589	2.2
283.62405	1.1
337.08853	100.0
338.09262	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	337.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.2
56.96557	5.2
57.03423	6.1
59.05002	3.7
61.02920	19.2
61.20205	2.5
67.05499	5.5
68.99778	3.3
69.03415	23.3
69.06672	3.7
69.07058	73.0
69.82482	2.5
70.02954	2.5
70.06577	11.0
71.04992	14.5
71.53558	5.7
73.02907	5.3
79.05488	6.6
81.03397	9.5
81.07030	3.3
83.01287	5.7
85.02890	35.0
87.04462	5.4
89.06010	5.0
91.05459	5.7
93.07021	4.5
95.04941	4.5
97.02874	25.7
97.06482	3.0
98.97557	4.9
99.04427	3.4
101.02364	7.9
103.05442	20.7
105.07019	8.9
107.04946	5.3
107.18883	2.2
109.02865	12.4
111.15759	2.6
112.07575	21.2
115.05436	11.6
116.07060	3.6
116.98591	4.9
117.06995	4.9
118.04148	11.5
119.04955	4.3
119.56422	2.6
125.02332	6.8
127.03883	30.1
128.06212	2.9
129.03381	3.7
129.06985	6.4
130.04126	9.3
131.04904	75.8
133.06462	11.6
135.04364	3.3
136.07594	3.6
139.03909	5.3
139.07526	7.2
140.07047	33.3
141.06943	17.7
143.04884	7.2
144.05682	7.3
145.04942	6.9
145.06474	12.6
146.03587	15.0
146.99554	2.9
147.04405	6.3
155.03413	3.7
155.04832	6.2
157.02870	6.6
157.06438	14.7
157.08591	6.8
158.03616	4.5
158.08133	80.0
159.04355	13.3
159.08038	5.4
160.05144	5.2
161.05960	25.2
161.07120	7.6
163.03886	3.0
164.07053	4.2
167.07030	5.9
168.05693	6.6
169.06454	20.5
171.04381	7.5
172.05185	5.5
172.07402	2.7
173.05966	12.0
174.03116	5.8
175.03967	7.5
175.07538	3.9
176.04599	13.4
177.05443	4.0
178.06235	3.0
182.08127	8.9
183.04460	3.4
185.05980	8.1
186.06709	13.6
187.03889	42.1
187.07532	15.1
188.04611	6.8
189.01787	16.0
189.05475	24.3
190.06281	3.8
191.06996	69.1
193.08624	6.4
197.05948	20.4
199.03894	9.1
200.04692	8.3
200.09187	8.7
201.05424	5.5
201.09114	7.3
202.06271	4.9
203.03349	8.8
203.06912	3.3
204.04146	41.4
204.07782	3.8
205.04858	7.9
205.08603	10.1
206.05862	7.3
207.06538	4.4
213.05437	7.7
214.06216	7.8
215.07045	22.0
216.04143	5.9
217.04987	18.5
217.08519	8.2
218.05704	17.3
219.06480	73.2
221.08112	5.5
225.05461	6.2
227.11664	3.1
229.04996	5.7
229.08582	16.6
230.05688	3.7
231.02881	10.2
231.06468	17.6
232.07288	4.3
233.08061	12.1
234.05235	7.2
235.06021	12.0
237.02740	4.0
242.05675	6.2
243.06540	15.6
245.04398	36.3
245.08069	18.4
247.09557	18.7
249.07520	8.6
257.08020	35.1
259.06030	2.9
260.06775	44.9
261.07559	6.4
262.04688	17.5
263.05478	16.1
273.07550	14.6
275.09109	100.0
276.09485	6.4
277.07047	73.6
287.05429	14.2
291.08588	4.9
301.07166	12.9
301.11630	4.2
302.06619	3.2
319.08081	28.9
319.12799	10.5
320.13141	14.3
337.09308	25.6
337.13870	17.5
337.17288	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	335.2572
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03933	4.1
55.05490	11.8
55.80890	3.2
57.03430	17.0
57.07048	3.2
57.15244	2.7
67.05162	4.9
67.05492	63.9
67.77899	2.6
69.07059	17.3
71.62347	4.4
79.05487	28.9
81.07043	62.2
83.08599	4.5
87.24120	2.9
91.05458	12.9
93.07028	38.0
95.04964	3.7
95.08597	46.2
105.07014	8.5
107.08567	15.1
109.10138	22.5
112.30191	2.9
119.08564	7.6
121.10098	13.5
126.48228	2.6
131.08479	4.1
133.10080	6.6
134.85353	3.3
135.11679	7.5
137.13197	2.9
145.10095	4.2
147.11659	3.2
149.13168	3.5
169.91853	3.3
173.13196	3.7
188.13397	3.2
261.22131	3.0
266.95026	2.7
335.25772	100.0
336.25980	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2573
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.15504	1.0
52.54264	1.0
53.03946	1.5
55.05503	11.9
56.08117	1.1
57.03169	1.8
57.03428	16.4
57.07056	2.2
61.66093	1.0
67.05498	51.5
68.53880	1.2
69.07059	12.6
70.92874	3.7
71.05004	1.7
79.05482	21.1
81.07049	49.2
83.08614	6.0
91.05471	12.5
93.07032	28.7
95.04939	2.6
95.08595	42.6
97.06496	1.3
97.10129	1.4
105.07034	9.5
107.08591	16.0
109.10146	20.2
117.07008	3.6
119.08582	8.9
121.10143	12.3
123.08084	1.9
123.11659	6.0
131.08549	5.6
133.10129	5.6
135.11661	13.0
137.13281	2.3
145.10115	3.4
147.11644	3.8
149.13245	8.5
159.11688	2.9
161.13245	3.9
163.14749	3.0
173.13225	3.7
182.62848	1.4
183.40718	1.5
187.14815	1.4
188.15947	1.1
219.63403	1.2
233.42336	1.3
243.21040	3.8
261.22177	7.7
335.25772	100.0
336.26093	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03949	0.9
55.01854	1.5
55.05502	7.8
57.03415	1.3
57.07066	1.1
67.05164	1.1
67.05499	12.3
67.93848	0.8
69.03421	4.1
69.07058	10.0
69.78492	0.8
69.87770	4.9
71.04989	4.9
73.66103	0.7
75.97167	0.7
79.05481	8.3
81.03407	2.1
81.07046	40.0
83.04984	5.0
83.08598	2.3
85.06527	8.1
91.05470	9.3
93.07031	23.3
93.07616	1.3
95.04932	3.0
95.08039	1.5
95.08595	17.7
97.06523	5.1
97.10152	1.8
99.04427	3.2
99.08070	1.7
101.05988	0.8
105.06299	1.0
105.07011	21.5
107.08580	37.8
109.02864	6.4
109.06508	16.5
109.10143	62.5
111.08092	1.6
111.11684	1.0
113.05981	1.7
114.06727	0.8
115.07543	1.3
117.06997	1.4
119.08548	8.5
121.06490	1.0
121.10131	13.7
123.08057	4.9
123.11696	16.2
125.09587	1.1
125.13303	1.3
127.07547	14.1
131.08516	2.5
133.10114	50.5
134.10416	1.1
135.08029	1.8
135.11714	6.3
137.06001	1.4
137.09605	2.0
137.13243	2.6
139.11162	0.9
145.08572	1.3
145.10097	3.9
147.08022	0.9
147.11665	15.0
149.09593	3.2
149.13216	2.7
151.11163	100.0
152.11469	1.5
153.12733	1.1
157.10071	1.5
159.11644	3.1
161.09570	2.1
161.13237	3.6
163.11163	1.2
163.14787	2.1
165.09126	1.3
165.12743	11.0
167.10614	2.5
169.12228	28.4
173.13187	2.1
175.11140	1.3
175.14771	2.7
177.12746	0.9
177.16354	5.4
179.10655	26.6
181.12138	1.8
183.13736	1.0
189.16319	2.1
191.17941	0.8
193.12260	8.2
194.68713	0.8
197.11746	2.9
201.16367	1.4
203.17918	6.5
207.13673	1.2
211.13182	1.1
215.12746	27.3
225.93097	0.7
229.14262	4.9
239.17982	0.8
243.71971	0.8
247.38673	0.8
257.19034	0.9
275.19897	0.8
299.23615	2.5
317.21158	2.0
317.24701	16.5
325.54462	0.8
335.22314	3.4
335.25742	62.3
336.25980	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2572
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03943	1.8
53.58041	1.3
55.05305	1.1
55.05506	11.5
57.03430	12.0
57.07052	1.2
65.03944	1.3
67.05493	60.1
69.06761	1.2
69.07059	12.2
79.05479	24.7
81.07043	52.4
83.04955	1.4
83.08604	5.7
91.05458	13.7
93.07028	29.2
95.04967	2.5
95.08593	43.5
97.06507	2.6
97.10144	2.5
97.67442	1.0
105.06995	7.6
107.08588	14.8
109.06519	1.4
109.10140	19.4
111.08073	1.3
117.07005	2.6
119.08542	7.3
121.10132	11.8
123.08004	1.3
123.11673	6.0
125.09572	1.4
127.02763	1.0
131.08545	5.0
133.10074	5.1
135.11659	7.9
137.13237	2.4
145.10117	3.2
147.11678	4.3
149.13214	5.6
159.11678	3.5
161.13235	5.6
162.80748	1.1
163.14789	1.7
165.12816	1.2
168.42560	1.1
173.13234	2.7
175.14850	1.5
177.16356	1.3
187.14780	1.9
201.16457	1.6
229.46693	1.3
243.21060	2.3
261.22098	5.1
287.10776	1.1
335.25754	100.0
336.26016	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.60774	0.5
53.03934	1.7
55.01860	1.0
55.05500	6.4
57.03414	1.4
57.07066	2.9
59.04995	1.0
62.01554	0.5
65.03909	0.8
67.05162	0.9
67.05493	12.9
69.03405	5.2
69.07052	13.1
71.04990	5.2
71.62408	1.0
79.05484	7.3
81.03413	5.7
81.07045	44.4
83.04964	4.8
83.08617	3.8
85.02896	1.5
85.06531	9.0
91.05464	11.2
93.07030	24.5
95.04970	5.5
95.08594	16.8
95.09061	0.3
95.38230	0.6
97.02904	0.9
97.06512	4.7
97.10136	1.4
98.09660	0.6
99.04441	5.7
99.08092	1.7
101.06026	0.9
105.07018	19.8
107.04947	1.4
107.08578	40.0
109.02870	15.1
109.06498	12.2
109.10142	59.4
111.08070	2.0
111.11698	1.0
113.05998	1.8
115.07533	0.6
117.06976	1.5
119.08553	7.7
121.06509	2.3
121.10121	12.3
121.10986	0.7
123.08078	4.8
123.11691	18.0
125.05963	0.9
125.09595	1.3
127.03944	1.2
127.07532	11.4
131.08574	3.7
133.10114	47.7
134.10480	1.3
135.08014	2.4
135.11661	7.6
137.05949	0.9
137.09615	2.1
137.13249	3.6
139.07553	0.9
139.11163	1.6
143.08609	0.9
145.08589	2.6
145.10095	5.5
147.11671	8.2
149.09590	2.1
149.13234	3.4
151.11162	100.0
152.11455	2.2
153.12718	3.5
155.07149	0.5
155.08487	0.7
157.10109	1.7
159.11682	2.9
161.09561	2.2
161.13252	3.0
163.07510	1.1
163.11197	3.2
163.14799	1.5
165.09076	1.5
165.12718	4.5
167.07048	0.7
167.10596	3.0
169.10083	1.1
169.12221	26.9
171.11760	0.8
173.09593	0.9
173.13239	1.7
175.07382	0.7
175.11188	0.9
175.14767	3.2
177.16376	6.2
179.10649	24.2
181.12251	2.1
185.13313	0.7
187.14830	1.2
189.12749	1.1
189.16376	1.6
191.10641	0.9
191.17967	1.1
193.12230	1.7
193.15895	1.1
194.67535	0.6
195.11766	0.7
195.13820	0.8
197.11751	2.7
199.14723	0.7
201.16437	1.8
203.17903	4.6
207.13832	1.2
209.11624	0.9
211.14926	0.8
214.21538	0.7
215.10709	1.4
215.12761	24.1
216.12955	0.9
217.19499	0.6
221.18991	1.3
229.14317	1.0
235.16966	0.8
239.17976	0.8
247.16853	0.9
257.18964	1.0
275.23676	1.0
277.21796	0.9
281.22675	1.1
289.21729	0.8
289.25372	1.1
299.20248	1.1
299.23779	1.4
317.21072	2.9
317.24725	13.8
324.91309	0.7
335.22314	3.3
335.25754	58.7
336.25916	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2573
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.73309	0.6
53.03926	2.1
55.05502	14.8
57.03429	17.7
57.07053	2.2
59.04996	0.6
59.67074	0.6
65.03920	2.4
67.05495	62.4
68.05843	0.8
69.07056	16.7
71.04967	1.9
71.08604	0.7
79.05482	29.2
81.03416	0.6
81.07043	58.0
83.04955	1.9
83.08615	6.3
85.06512	2.0
89.06014	1.1
89.24335	0.6
91.05469	14.2
93.07030	36.0
95.04955	3.7
95.08592	45.3
96.08883	0.6
97.06509	2.6
97.10152	1.6
99.08070	0.9
105.04525	0.6
105.07017	11.8
107.08580	17.5
109.06493	1.8
109.10139	18.1
111.08090	1.7
116.06178	0.6
117.07006	3.5
119.08561	9.3
121.10127	14.4
123.08028	1.9
123.11694	7.5
129.06972	0.8
131.08549	7.6
133.10110	8.0
135.08064	0.7
135.11670	9.4
137.09593	0.8
137.13203	1.4
143.08517	0.7
145.08557	1.2
145.10110	5.5
147.11681	4.5
149.13242	5.7
155.08479	0.7
156.09290	0.6
157.10127	1.2
158.65251	0.6
159.11671	4.2
161.13249	2.5
163.14801	2.1
167.14302	0.6
171.11699	0.9
173.13213	4.2
175.14781	1.0
187.14761	1.8
197.13280	1.0
199.14822	0.7
243.20981	2.1
261.22198	4.1
291.23352	0.6
317.24884	0.8
323.80417	0.6
335.25751	100.0
336.26041	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	335.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.2
55.01851	0.9
55.05261	0.8
55.05502	14.0
56.05996	0.6
57.03430	16.1
57.07050	1.9
59.63818	0.6
65.03922	0.9
67.05493	56.9
69.03425	1.0
69.06723	0.9
69.07060	13.0
69.50987	1.1
69.51393	4.5
71.04985	3.1
71.08600	1.0
79.05480	25.1
80.05809	0.8
81.03399	1.1
81.07044	56.7
82.07379	0.9
83.04945	1.7
83.08607	7.8
85.06553	1.4
90.90620	0.6
91.05461	15.1
93.07026	33.0
95.04927	3.1
95.08591	46.7
97.06509	2.2
97.10135	2.7
99.08064	1.3
105.07011	10.5
107.08571	18.1
109.06468	1.4
109.09463	1.2
109.10141	20.8
111.08055	1.2
117.07024	3.8
119.08563	9.2
119.87405	0.6
121.09295	1.2
121.10117	15.6
123.08054	1.3
123.11681	7.4
127.07471	0.8
131.08574	4.9
133.10118	7.3
135.11668	10.9
135.19586	0.6
137.09593	1.3
137.13174	2.6
145.08569	2.3
145.10095	5.0
147.11659	4.4
149.09605	0.8
149.13232	3.7
151.11061	1.0
157.10138	1.0
159.11674	3.9
161.13232	3.5
163.14772	2.8
165.12595	0.7
169.10054	0.8
173.13248	3.4
175.14786	1.9
177.16351	0.8
185.13286	1.0
187.14796	2.4
189.16455	0.8
191.14250	0.8
199.14539	0.7
201.16345	1.1
205.15779	0.9
209.13321	0.7
223.14780	0.7
225.16415	0.8
234.34071	0.6
243.21092	3.8
261.22061	6.2
274.15341	0.6
279.23291	1.0
310.36035	0.7
317.24524	2.8
317.27899	0.8
335.25699	100.0
336.26004	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	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03921	2.6
55.05264	1.1
55.05507	17.1
57.03431	19.6
57.06817	0.8
57.07067	9.7
65.03916	1.8
66.19889	0.8
67.05497	66.9
69.04019	0.7
69.06718	1.0
69.07060	17.3
69.68385	3.3
69.68790	1.1
69.81113	0.6
71.04973	3.0
71.08630	7.5
73.06521	1.1
79.05484	32.7
81.03355	0.8
81.07048	59.0
82.07374	1.1
82.18943	0.7
83.04948	2.0
83.08610	7.7
85.06519	2.0
85.10183	7.5
89.06023	27.6
91.05465	15.9
93.07032	37.7
95.04970	3.5
95.08598	52.8
97.06500	3.1
97.10136	2.4
98.21460	1.3
99.08099	1.1
105.07024	10.7
107.07056	1.5
107.08582	17.6
109.06521	1.6
109.09448	1.2
109.10148	18.9
109.10900	1.0
111.08058	1.1
117.06969	3.3
119.08570	8.9
121.09312	1.0
121.10131	15.7
123.08034	1.1
123.11703	7.9
125.09590	1.0
129.05481	0.9
130.08603	0.9
131.08556	6.0
133.08595	8.2
133.10103	6.4
135.07974	0.9
135.11684	9.7
137.05992	0.7
137.09607	0.8
137.13232	1.7
145.08569	1.3
145.10083	4.7
147.11685	3.8
149.13263	6.7
151.09619	1.4
151.11107	0.7
151.14925	0.8
159.11694	3.4
161.13243	3.7
163.14777	2.0
165.12694	0.7
173.13266	4.0
175.14801	1.5
177.11200	2.1
177.16351	0.9
179.14311	0.9
187.14799	2.4
191.14217	1.0
195.12251	5.1
243.21104	2.6
252.45996	0.6
261.22098	6.7
317.24713	2.0
335.25732	100.0
336.25964	5.8
350.96851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01833	1.5
55.05503	18.4
55.95173	0.9
57.03432	18.1
57.07064	2.7
65.03934	2.7
67.05495	68.3
69.03419	2.5
69.07059	23.2
69.43629	2.0
69.44038	6.2
71.04984	9.9
72.05299	1.0
79.05483	36.9
81.07047	68.7
83.04967	2.5
83.08609	8.4
85.06538	3.2
87.12994	0.8
91.05467	32.0
93.07032	52.0
95.04960	13.3
95.08597	52.2
97.06530	4.2
97.10174	2.8
99.08076	1.4
103.05434	1.8
104.76086	0.9
105.07016	33.3
107.07855	1.6
107.08579	30.9
107.09283	1.8
109.06525	3.3
109.10147	25.4
111.08070	2.7
115.05441	2.2
116.06202	1.2
117.06995	7.6
119.08562	32.6
121.06443	1.0
121.10129	21.4
123.08054	4.4
123.11693	8.9
124.66267	0.9
128.06244	2.1
129.06993	5.3
129.72276	0.8
130.07785	1.8
131.08554	29.2
133.10115	34.3
134.10492	1.5
135.08012	5.4
135.11676	12.5
137.09590	2.9
137.13297	1.7
141.06979	2.2
142.07759	5.2
143.08562	11.2
144.09303	1.5
145.08676	3.1
145.10101	27.0
147.08073	1.2
147.11653	10.8
149.09645	2.6
149.13243	5.6
151.11215	1.4
154.07622	1.0
155.08528	4.5
156.09341	5.7
157.10115	15.5
158.10890	5.5
159.08078	1.0
159.11662	11.0
161.09567	4.4
161.13252	4.7
163.11180	1.6
163.14830	2.9
165.07057	2.0
165.12846	1.0
167.08580	2.8
169.10081	7.9
170.10863	2.1
171.11676	11.1
173.09711	0.9
173.13246	21.7
175.11211	1.2
175.14758	6.3
177.16405	1.1
179.08583	1.7
181.10143	4.0
182.10855	1.9
183.11717	3.4
183.81096	0.9
185.13208	6.6
186.14047	1.4
187.14775	11.6
189.12712	1.1
189.16380	1.7
192.09392	1.0
193.10139	3.3
194.10909	1.9
195.11641	5.3
196.12424	1.8
197.13228	8.3
199.14783	10.0
201.16455	2.0
207.11722	3.8
208.12552	1.4
209.13206	5.2
211.14812	5.3
212.15657	2.9
213.12729	1.8
220.12486	1.1
221.13293	4.7
223.14850	2.3
225.16441	1.2
225.83954	1.0
231.11620	1.4
232.12450	1.3
233.13403	1.1
235.14925	3.4
237.16411	3.3
239.18039	1.9
243.21164	3.3
247.14885	1.6
249.16489	1.6
251.17981	1.7
252.18797	1.7
261.16418	1.1
261.22147	5.3
265.19702	1.9
277.19559	4.3
292.21924	1.8
317.24915	2.1
335.25891	100.0
336.26431	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	335.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01862	0.4
55.05500	0.7
57.03427	1.4
59.04992	0.2
61.02916	0.3
61.82753	0.3
67.05485	2.2
68.81773	0.3
69.03418	7.3
69.07041	0.3
71.01340	0.3
71.04980	47.0
71.53627	0.5
72.05282	0.3
73.02946	0.6
81.03405	5.4
81.07024	0.3
85.02891	7.4
85.06528	10.4
95.04949	4.6
97.02878	4.8
97.06547	0.3
99.04432	2.6
99.08083	0.5
101.02300	0.4
103.07570	0.6
109.02861	4.6
113.05982	8.3
127.03896	5.7
127.07534	24.6
127.34841	0.3
128.07948	0.3
131.07021	11.2
141.05482	1.3
145.04950	1.5
145.08571	100.0
146.08916	1.6
155.06993	4.2
155.10643	0.3
173.08047	1.0
187.06018	1.8
191.09077	0.6
195.78250	0.3
205.07066	0.7
225.09537	0.3
226.07312	0.5
240.08865	0.4
255.11194	1.2
256.09637	0.7
257.10263	1.9
273.40427	0.3
299.10846	2.6
317.11502	3.2
335.12701	1.6
337.65982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.05488	2.0
56.96562	3.1
57.03418	3.6
59.04980	1.8
61.02906	5.2
65.03921	2.5
67.05489	4.5
69.03421	12.9
69.07050	2.0
70.75066	4.0
71.04985	13.8
72.54145	1.3
73.02890	2.4
81.02969	2.1
81.03410	24.9
81.07059	1.9
82.04179	4.1
83.04969	1.8
85.02892	27.3
85.06527	5.5
87.04455	1.8
89.06026	3.9
91.03903	1.8
91.29910	1.5
92.09482	1.2
95.04958	14.5
97.02898	9.1
97.06509	4.0
98.03665	3.9
98.97565	4.5
99.04456	4.2
99.25800	1.3
109.02863	14.3
109.06532	1.6
111.04422	1.8
113.05994	33.5
115.03867	1.6
116.98624	4.7
119.04839	1.5
120.05285	1.3
123.04414	5.9
127.03883	10.8
127.07525	2.5
131.06987	1.5
137.05991	4.4
138.05396	2.3
138.06361	3.0
139.03896	8.3
141.05444	32.4
145.04939	2.9
153.01811	3.2
155.07008	7.3
156.06528	2.7
165.05598	1.6
173.08084	100.0
177.00723	2.0
195.01599	1.9
202.61047	1.5
216.97935	1.7
234.98969	8.4
235.00993	1.4
265.02158	2.7
271.10992	1.9
287.10242	2.8
288.10919	1.8
288.63242	1.5
289.11783	3.2
299.10208	4.9
317.11316	18.3
318.11572	1.7
335.04028	3.1
335.12344	9.2
350.65405	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.4
53.03933	1.6
57.03428	1.5
57.07065	0.4
63.20632	0.3
67.05493	2.7
69.03065	0.6
69.03420	7.9
69.07056	0.8
69.73158	1.0
69.73592	1.3
71.04984	50.9
72.24595	0.4
73.02913	0.5
81.02963	0.6
81.03410	6.7
81.07035	0.6
85.02897	7.2
85.06535	10.3
93.07034	0.5
95.04955	5.1
97.02879	5.1
99.04456	2.3
103.07559	0.5
107.08643	0.4
109.02867	5.2
113.05996	8.4
121.10181	0.3
127.03893	6.4
127.07539	24.4
131.06035	0.4
131.07028	9.8
141.05466	1.3
145.04906	1.6
145.08578	100.0
146.08910	0.7
155.07030	3.9
165.04434	0.3
173.08087	0.7
187.05989	1.8
191.09145	0.8
205.06955	0.6
257.10056	1.5
275.05981	0.3
299.11249	1.7
317.12033	1.6
335.12607	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.4
55.01844	0.5
55.05494	0.8
57.03427	2.0
57.96156	0.4
61.02909	0.9
63.99456	0.4
67.05491	4.1
68.87475	0.4
69.03419	10.5
70.74908	1.5
71.04981	49.9
72.44427	0.4
73.02907	0.9
81.03407	5.8
83.04939	0.7
85.02897	8.9
85.06532	11.6
95.04964	5.2
97.02876	5.3
99.04452	3.2
101.02332	0.6
101.05985	0.5
103.07561	0.6
109.02866	5.2
113.05986	9.8
127.03900	8.3
127.07534	26.5
129.09064	0.4
131.07028	10.4
141.05441	1.3
145.04933	1.9
145.08575	100.0
146.08932	1.6
151.03848	1.0
155.06999	6.5
165.05470	1.0
172.46370	0.4
173.08102	0.8
175.86349	0.4
187.05925	2.9
191.09204	0.8
205.07112	0.9
220.03883	0.4
228.10068	0.4
257.10184	2.4
298.37134	0.4
299.11179	3.9
317.11658	3.2
335.12851	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01850	0.7
55.05498	0.8
57.03410	1.7
60.54375	0.5
60.98637	0.5
61.02906	0.6
67.05489	3.6
67.44904	0.5
69.03064	0.8
69.03419	8.8
71.04980	48.2
71.61620	1.1
73.02879	0.6
79.05482	0.6
80.73640	0.4
81.03410	6.8
81.07032	0.9
85.02409	0.8
85.02889	8.6
85.06527	11.3
86.09698	1.1
95.04952	5.5
97.02874	6.0
99.04433	2.4
103.07569	1.1
105.06996	0.5
106.80589	0.6
109.02870	6.3
109.10121	0.7
113.05992	8.8
119.08497	0.5
127.03893	7.2
127.07538	25.0
131.07022	10.5
141.05449	1.5
145.04922	2.0
145.08575	100.0
146.08932	1.2
155.06972	5.5
160.11665	0.6
173.08043	0.7
187.05937	2.8
205.07126	0.9
208.15048	0.6
257.07867	0.5
257.10016	2.4
299.11145	2.2
312.51895	0.5
317.12024	1.7
335.12814	1.2
357.59103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50205	0.3
53.03941	1.1
53.59468	0.2
55.01868	0.8
55.05500	1.0
57.03433	1.1
61.02909	0.5
67.05493	2.8
69.03422	7.9
70.69960	0.3
71.04984	49.7
71.61970	0.3
72.05302	0.4
72.64628	0.3
73.02931	0.4
79.05476	0.4
81.03408	7.2
81.07061	1.1
83.04981	0.3
83.09216	0.3
85.02892	6.4
85.06532	10.8
91.05480	0.7
93.07042	1.1
95.04967	4.5
95.08569	0.5
95.32858	0.3
97.02884	4.8
99.04434	2.8
99.08121	0.5
101.02357	0.3
103.07588	0.7
105.07025	0.6
107.04907	0.3
107.08582	1.2
107.13315	0.3
109.02867	10.0
109.10120	0.5
113.05991	8.4
115.03897	0.4
119.08577	0.6
121.10108	0.5
122.24332	0.3
123.08084	0.6
127.02969	0.4
127.03900	7.0
127.07538	23.5
131.07024	10.4
131.08519	0.4
133.10170	0.4
135.08073	0.4
135.11742	0.3
137.09587	0.5
141.05486	1.0
145.04912	1.3
145.08580	100.0
146.08919	1.6
155.07034	3.9
163.11179	1.1
171.13844	0.3
173.08084	0.6
181.12291	0.3
187.06003	2.1
191.09081	1.0
191.10738	0.9
205.06996	0.5
257.10153	1.8
271.13202	0.4
299.11200	1.8
317.12283	1.5
317.20984	0.3
335.12741	2.0
335.18634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01879	0.6
55.05494	0.5
57.03428	1.7
59.04985	0.7
59.55889	0.3
60.61478	0.3
61.02920	0.6
67.05498	3.3
69.03422	9.1
69.07065	0.7
70.86063	0.5
70.86392	0.7
71.04984	49.7
73.02915	1.2
81.03416	6.4
85.02896	8.8
85.06532	11.8
95.04947	5.3
95.08601	1.7
97.02883	5.3
99.04444	2.8
103.07603	0.5
109.02860	4.5
109.10167	0.7
113.05993	9.2
127.03908	8.0
127.07538	24.0
131.07024	9.8
137.09624	0.4
141.05461	1.7
145.04921	1.7
145.08578	100.0
146.06075	0.5
146.07246	0.4
146.08928	0.8
155.07014	6.0
155.10670	1.1
167.22185	0.3
173.08096	0.9
185.08122	0.5
187.05997	2.2
189.07344	0.8
191.09145	0.4
205.07037	0.8
205.49068	0.4
227.11641	0.4
256.40781	0.4
257.10223	2.4
271.10785	0.8
277.69705	0.4
284.26813	0.4
287.10260	1.1
289.11490	0.4
299.11249	3.5
310.83469	0.4
317.11490	4.6
335.12674	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	2.1
53.11101	0.8
55.01877	1.0
55.05489	3.4
57.07060	1.0
65.03918	3.0
67.05495	9.0
69.03397	2.7
69.07058	100.0
70.07370	1.2
70.57118	1.7
70.57516	1.7
71.04974	7.0
78.72048	0.9
79.05460	3.5
80.05009	1.4
81.03408	5.9
81.07042	16.4
81.85286	0.9
83.04975	1.3
83.08588	1.4
83.42786	0.9
85.02882	1.4
85.06519	4.9
91.05460	2.4
92.04964	2.9
93.07030	8.5
94.06532	3.7
95.04929	3.7
95.08587	10.2
97.06516	17.7
97.10152	1.4
99.04416	1.6
99.08073	1.1
105.07021	5.9
107.08584	7.4
108.04453	1.2
109.02864	21.4
109.06482	2.7
109.10138	7.4
111.04400	1.0
111.08067	1.4
113.05942	1.8
117.07015	1.6
119.08533	4.1
121.06451	2.3
121.10105	5.5
122.06020	7.3
123.08020	1.4
123.11693	6.2
124.07542	2.8
124.94794	0.8
125.06032	1.0
125.09618	1.3
127.03873	2.6
127.07489	3.9
131.07172	1.5
131.08546	1.5
133.10077	3.1
135.08037	2.0
135.11650	3.6
137.05940	4.2
137.09601	2.0
137.13197	2.1
138.05434	4.4
138.87244	0.9
139.11147	1.9
140.07037	6.9
144.08020	2.5
145.08595	12.2
145.10054	4.8
146.09619	2.9
147.06738	1.1
147.07933	1.2
147.11664	2.4
148.03949	1.7
149.09560	1.6
149.13197	1.7
150.05482	78.7
151.11166	2.0
153.09071	1.7
155.08546	1.3
157.08842	2.0
157.10051	1.3
158.09595	1.1
159.10349	1.4
159.11601	1.0
159.54695	1.0
160.07590	1.1
160.11191	1.5
161.08307	2.7
162.09117	2.3
162.77991	0.9
163.07484	1.2
163.11125	3.2
163.14801	1.3
164.07048	0.9
165.04211	1.3
165.09138	1.3
166.04984	31.6
167.07048	1.1
168.06493	1.9
172.07549	2.4
172.11169	4.3
173.08264	1.5
173.09628	1.3
174.08984	1.6
174.12819	5.0
175.11195	1.5
176.03406	6.1
178.05009	2.1
181.12112	1.1
185.08316	1.6
186.07599	1.5
186.09111	1.0
188.10588	1.2
189.16322	1.4
190.12209	3.9
191.10634	1.7
192.02867	1.0
194.04460	3.8
200.06956	1.5
200.10689	6.3
202.12227	7.7
203.18152	0.9
204.10037	1.0
213.10295	1.4
216.10104	3.2
218.08194	1.2
218.11720	25.8
226.08553	1.3
228.10155	14.8
229.13297	0.9
234.11243	3.1
243.11247	2.1
244.09660	2.7
245.12798	2.3
245.22559	1.2
246.11218	26.5
253.09752	1.0
255.11174	1.3
257.09244	1.9
261.12195	1.3
271.10672	3.7
272.09076	3.8
273.12253	4.3
274.10654	2.0
281.24664	3.7
287.10260	8.5
289.08456	1.3
289.11768	12.9
290.09985	2.4
291.13342	1.6
299.10141	6.7
317.11273	31.1
317.21036	1.4
317.24591	2.0
335.12244	37.4
335.18506	2.0
335.22180	2.5
335.25830	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.05492	2.4
57.03418	2.4
57.65689	0.9
58.39748	0.8
59.04978	2.9
67.05499	6.2
69.03416	10.3
69.07053	15.7
70.06589	1.9
70.26849	0.9
71.01338	0.7
71.04979	39.4
71.62387	1.8
73.02886	0.9
73.06556	1.1
79.05478	2.4
81.03410	5.4
81.07027	3.3
82.06561	0.9
83.04954	1.0
84.08113	1.1
85.02891	8.7
85.06534	8.9
91.05457	1.2
93.07019	2.9
94.06551	1.5
95.04954	4.8
95.08591	10.5
96.08121	2.1
96.50500	0.9
97.02887	8.3
97.06518	4.3
99.04441	2.6
101.05997	2.7
101.50759	0.8
106.06518	2.3
107.08574	1.3
108.04439	2.3
109.02850	6.3
109.06479	1.3
109.10149	6.2
113.05981	6.4
113.09570	1.0
119.08533	1.5
120.04418	1.0
122.05999	1.3
124.07549	6.8
125.05997	1.1
126.05500	0.9
127.03902	8.0
127.07523	15.3
129.05441	2.5
131.07030	8.0
132.04396	0.9
137.05954	2.2
137.09602	3.3
138.05486	9.4
140.07048	2.0
141.05455	2.0
145.04922	2.4
145.08575	77.4
147.11662	0.9
149.07098	1.2
150.05489	12.4
152.03349	1.3
155.06978	4.1
155.10622	9.2
161.08351	1.4
166.04958	5.3
167.03362	1.1
168.06827	1.0
170.08255	1.7
170.09625	1.0
173.11736	2.5
175.04997	1.3
176.03389	1.7
178.04956	2.0
182.08232	7.0
184.09805	1.2
185.07103	1.6
187.06013	1.8
189.45068	0.8
190.12186	1.2
196.09900	3.7
197.07108	1.7
197.10735	4.6
198.07744	9.7
199.08638	1.6
201.06494	1.2
210.07819	5.2
211.08553	2.3
211.12267	2.8
212.09387	5.7
213.06508	1.9
213.10129	9.2
215.11757	1.7
216.10172	2.1
218.11734	3.4
225.10176	10.1
226.07169	1.8
227.11742	16.2
228.10161	3.1
228.21436	0.9
234.11284	2.0
237.10139	1.2
240.08899	2.6
241.09648	4.0
242.10338	1.6
243.07593	1.0
243.11320	5.1
245.12929	4.1
246.11211	3.3
253.09723	11.0
255.11261	11.7
256.08301	1.4
257.09244	2.9
259.07025	1.4
259.10687	2.5
261.12332	4.3
268.08368	4.5
269.09247	2.7
271.07611	1.6
271.10739	28.7
272.11346	1.9
273.09232	1.8
273.12274	16.2
281.09189	4.8
287.10220	70.7
288.10568	2.8
289.11804	8.8
299.10217	42.8
299.89255	0.9
305.11246	2.8
317.11264	100.0
318.11578	2.7
335.12292	35.7
335.15277	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	0.5
65.03865	0.6
67.05399	1.9
67.05720	0.6
67.57436	0.5
69.03318	1.8
69.06966	11.7
69.07387	1.5
71.04884	3.8
71.61700	0.5
79.05390	1.4
80.04956	0.6
81.03354	1.0
81.06969	1.2
81.07401	0.6
85.02779	1.8
85.06483	1.2
91.05397	0.9
92.04948	0.7
93.06940	0.6
94.06493	1.1
95.04849	1.6
95.08516	1.0
96.08034	0.9
97.02880	4.1
97.06509	3.3
105.06931	0.8
106.06409	2.5
108.04401	1.3
108.07999	0.6
109.02791	0.9
109.06426	0.5
109.10030	2.1
113.05921	1.2
115.10403	0.5
122.05888	1.5
124.07590	6.2
127.03766	1.5
127.07422	2.0
131.05949	0.6
131.06992	1.4
132.07962	0.6
136.07495	0.8
137.05891	1.3
138.05476	9.4
140.06952	1.9
142.08548	0.9
143.08447	0.5
145.08606	8.2
145.09833	0.8
146.05864	0.7
147.05440	0.7
149.06941	1.0
150.05487	11.2
152.03328	2.0
152.06960	1.2
153.01721	0.6
155.06947	1.0
155.10411	0.8
156.07922	0.8
157.08728	0.8
159.05431	0.9
160.07397	0.7
161.08284	1.6
162.06630	1.3
162.09058	0.8
164.06985	1.2
166.04976	4.7
168.06520	1.2
169.07385	0.7
170.09546	0.8
172.07524	0.6
172.11086	1.4
173.08301	0.7
174.12685	0.7
175.04951	1.0
176.03409	1.1
178.04956	1.4
180.06424	0.6
182.04425	0.7
182.08203	7.3
183.06602	0.6
183.09062	1.7
184.06126	0.7
184.07561	0.6
184.09833	1.5
185.06963	1.2
186.07657	0.8
186.97363	0.6
190.12245	1.3
191.08073	0.9
195.09030	0.5
196.09947	2.8
197.06967	0.7
197.10703	5.0
198.07689	5.5
198.09288	1.1
198.10617	0.6
199.08426	1.0
199.12099	1.4
200.10616	1.7
201.06487	1.0
201.10132	0.5
202.12230	0.6
209.10634	0.9
210.07800	5.0
210.11301	0.9
211.08630	1.3
211.12152	1.8
212.09384	6.7
213.06468	0.6
213.10165	5.4
215.08084	1.7
215.11649	0.9
216.10060	1.4
218.11719	2.5
219.07576	1.0
225.06601	0.6
225.10181	10.8
226.06935	1.2
226.08607	2.1
226.10834	1.2
227.08119	1.2
227.11751	14.3
228.10045	1.9
229.09721	1.0
230.04604	0.6
234.11079	0.9
237.10086	0.7
240.08617	1.5
241.06018	0.9
241.09674	4.4
242.10408	1.8
243.07567	1.1
243.11292	4.6
244.09662	0.6
244.11919	0.7
245.12775	3.1
246.11131	2.9
247.10661	0.6
248.08939	0.5
253.09697	11.2
255.11247	10.2
256.08405	0.7
257.09125	1.9
259.07043	1.1
259.10565	1.7
261.12335	4.6
268.08374	5.3
269.09076	2.3
271.10721	32.7
272.08966	1.3
272.11398	1.8
273.09412	0.5
273.12296	18.0
281.09210	3.4
287.10211	41.8
288.10788	2.1
289.11786	9.1
290.10040	0.8
291.13342	0.7
299.10220	43.3
300.10583	1.2
305.11264	3.6
317.11279	100.0
318.11771	4.1
325.20853	0.6
335.12338	35.2
335.15903	2.1
336.12689	1.9
353.80777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
53.64493	0.9
54.26318	0.9
55.05511	1.1
56.96555	9.4
57.03428	2.4
57.70084	1.0
58.99837	1.2
59.04982	1.0
61.02898	3.2
69.03411	9.2
69.07027	1.3
70.28318	2.4
70.28710	2.2
71.04980	2.1
73.02904	2.9
77.00903	1.4
81.03392	3.6
81.07020	1.4
83.04954	3.0
85.02893	11.3
87.04462	2.4
94.99784	1.4
97.02885	10.1
98.97562	11.4
99.04409	1.2
101.00864	11.6
103.02428	1.8
104.51637	0.9
105.07055	0.9
107.05023	1.1
108.08087	4.7
109.02901	1.8
109.08426	4.2
111.04433	1.4
113.00873	4.4
115.02412	4.4
116.98602	8.5
119.01904	45.7
120.01919	1.4
120.08086	4.8
123.05582	1.4
124.07550	1.2
127.02427	1.3
127.03924	4.0
128.03203	1.1
128.98560	3.4
129.03983	2.4
130.06505	3.9
131.01892	26.2
131.05569	5.6
132.04388	1.2
133.03481	9.2
134.99622	4.1
137.00873	1.8
137.02928	6.8
137.05942	4.1
143.01878	61.4
145.01703	3.2
145.03433	11.5
145.04990	1.9
146.99641	2.5
147.01378	1.9
147.04984	3.9
149.01147	1.7
149.02950	4.0
149.06577	15.4
152.07072	1.6
153.01811	17.7
153.07347	2.0
154.02176	2.4
154.03444	1.2
155.01886	27.2
155.05548	2.5
156.02672	2.6
157.03467	6.4
158.99646	3.6
159.01427	1.1
159.05046	5.9
161.02940	100.0
162.03072	2.4
162.99092	1.8
163.02751	4.4
163.04631	2.4
167.01936	1.8
169.03455	3.4
170.99562	1.2
171.04994	2.7
172.06032	1.2
173.01372	2.2
173.02936	32.6
173.05020	1.9
173.06570	37.3
173.07742	1.4
174.02951	1.3
174.06731	2.0
175.03078	1.1
175.04501	4.6
175.08165	1.1
177.00679	5.8
177.06017	6.1
179.05711	1.4
184.04552	5.3
185.03018	5.3
185.06569	41.3
186.06808	1.4
187.02849	1.3
187.04498	3.7
187.08139	7.6
189.04289	1.4
189.05960	1.6
190.98703	1.5
191.02156	1.5
191.04272	1.4
191.05896	5.2
191.07622	15.3
193.03615	1.2
195.06934	1.1
196.04521	2.3
196.98042	1.1
197.02879	1.8
197.06567	2.0
199.08156	3.4
201.06036	2.0
203.02251	2.1
203.04024	10.4
203.07611	25.0
205.09161	2.1
209.06796	4.6
215.04076	1.4
215.05740	0.9
215.07634	16.6
217.07292	1.2
217.09258	3.0
219.01741	4.1
221.05026	31.3
222.05179	1.8
223.01291	2.8
226.09193	2.1
227.07596	4.1
229.09297	1.5
233.08722	4.2
234.98956	1.5
237.02797	8.4
239.04077	1.8
243.07620	1.6
245.05116	3.6
247.06543	1.4
257.08737	7.7
259.06635	1.8
262.05124	1.4
265.07874	1.5
275.06421	2.2
275.09729	43.8
276.09839	2.8
277.07687	1.3
293.10776	81.1
294.10980	4.3
307.06970	1.6
311.09949	1.3
316.12338	4.6
317.13275	2.3
335.11829	73.6
336.12061	3.2
344.49988	1.2
353.07321	2.4
353.11154	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.7
55.05508	11.4
57.03428	8.4
57.07055	5.0
65.03918	1.6
65.15284	1.2
67.05496	32.4
69.03410	3.1
69.07051	14.6
71.04992	4.1
71.08630	11.5
71.61800	1.5
71.62174	2.5
72.04507	71.8
79.05491	17.0
81.07048	41.0
83.04950	2.3
83.08617	3.4
83.47385	1.3
85.06521	4.0
88.07600	1.9
91.05451	9.9
93.07030	22.6
95.04967	16.3
95.08037	2.6
95.08595	33.3
97.06502	6.3
98.98500	1.7
99.08070	5.7
100.07592	2.1
105.07024	12.1
107.08582	18.6
109.06516	20.2
109.10155	14.5
110.49029	1.6
111.08022	1.4
114.09146	15.7
117.06980	3.0
119.08567	8.1
121.06455	1.6
121.10146	8.4
123.08041	3.0
123.11694	4.2
128.10721	7.6
129.07031	1.9
131.08525	8.0
133.10107	9.6
134.94731	1.3
135.08035	2.2
135.11684	5.2
137.09596	3.4
142.12239	4.5
145.10094	5.1
147.11673	6.3
149.09595	2.6
149.13229	6.8
150.27637	1.6
151.14830	2.0
156.13817	2.3
157.10033	1.8
159.11659	2.7
161.13252	2.0
163.11156	1.9
163.14816	2.1
165.12735	100.0
166.13185	1.8
173.13196	8.3
175.11195	5.0
179.14290	2.2
180.13792	3.4
182.15367	13.0
184.13358	2.6
191.14252	7.3
194.15419	2.3
201.12816	5.4
207.50255	1.5
212.16400	9.9
220.16924	14.1
229.19408	3.1
236.20052	39.4
237.20485	1.5
253.19406	1.8
271.20633	6.7
289.21603	9.4
291.23059	1.7
316.26407	10.2
317.21005	1.5
334.27362	85.7
335.25650	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	334.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01854	0.6
57.03417	1.4
61.02914	3.3
67.71192	0.4
69.03422	6.6
70.73520	0.6
70.73874	1.4
71.04990	0.8
73.02891	0.8
81.03387	3.2
85.02891	27.6
87.04475	1.1
89.50317	0.5
91.03928	1.5
91.05471	10.0
97.02883	6.3
99.04430	1.3
101.28091	0.5
109.02846	2.2
109.06472	0.9
119.04934	5.7
127.03887	5.3
135.03656	0.5
137.05956	100.0
138.06282	2.7
142.90718	0.4
145.04941	7.7
149.05943	0.5
151.07544	1.4
155.07014	10.6
163.05995	0.7
172.09706	1.7
179.06993	2.0
180.07343	0.7
180.08656	5.3
190.96004	0.5
203.06911	0.8
217.08664	0.6
221.08148	1.0
234.98953	0.7
245.08064	1.1
263.09134	1.8
281.10205	0.9
317.11371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01870	0.8
55.05500	5.4
56.90846	0.5
57.03416	1.9
57.82707	0.6
59.04993	0.6
61.02907	2.4
62.37831	0.5
69.03423	5.8
69.07047	0.6
70.06565	1.3
71.04977	3.6
71.36434	1.1
73.02910	1.5
79.05467	2.2
81.03394	2.5
81.07048	13.0
83.08614	5.5
84.08118	0.7
85.02893	14.5
85.06525	3.0
87.04472	0.8
91.03928	1.1
91.05451	1.9
93.05771	0.6
93.07020	0.6
96.04482	0.5
97.02869	4.6
98.06019	1.2
98.09689	2.6
98.98461	1.8
99.04447	0.9
99.08075	2.0
99.44884	0.6
108.08119	3.3
109.02866	2.3
109.06502	14.4
110.06024	0.8
110.09660	0.7
111.04417	0.7
111.08087	1.1
117.05446	0.6
124.07569	1.2
126.05508	0.7
126.09139	42.7
127.03920	2.9
127.07540	16.7
127.09471	1.0
136.07573	0.7
137.05949	3.9
145.04929	3.3
154.08611	61.9
155.07010	30.5
155.08997	1.9
172.09663	100.0
173.08145	0.8
173.09990	1.8
177.98843	0.6
222.54607	0.6
224.19151	0.6
234.98671	0.6
237.46469	0.5
260.10336	0.6
287.10263	1.0
316.13785	1.6
317.11264	2.4
334.09000	1.6
334.14951	1.0
335.12332	1.7
347.57471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2418
Annotation	Oxymetholone
Peak:m/z	Relative Intensity
51.14387	1.8
55.01851	7.3
55.05508	16.9
56.96545	4.2
57.03429	2.6
57.07061	5.4
64.30546	1.8
67.05494	18.8
68.73021	1.8
69.03427	3.0
69.07068	25.6
71.04994	2.8
71.08646	2.4
73.02898	5.9
75.15693	1.8
79.05482	18.3
81.03416	3.7
81.07050	36.7
83.04964	9.3
83.08612	15.1
85.02883	6.8
85.06526	3.6
87.31592	2.3
91.05467	20.6
92.53456	1.9
93.07040	37.7
95.04961	7.0
95.08598	47.8
97.06524	10.0
97.10142	7.9
98.98456	23.4
99.04457	5.1
101.02383	14.8
105.07016	34.5
107.04881	1.9
107.08585	55.7
109.02929	2.0
109.06507	5.2
109.10143	30.1
111.04429	33.2
111.07989	2.6
117.07027	2.3
119.04910	2.1
119.08566	36.3
121.06509	6.5
121.10129	49.6
123.04413	3.2
123.08050	1.8
123.11680	18.6
124.05171	2.3
125.05980	9.9
125.09602	2.7
129.05460	6.7
129.07028	2.8
131.08549	11.1
133.10117	31.3
135.08049	5.8
135.11671	41.2
137.05983	22.5
137.09578	3.0
137.13219	6.1
139.11182	2.3
143.07021	5.9
143.08556	10.6
145.10100	19.9
147.08025	2.8
147.11671	21.8
149.09610	6.6
149.13239	20.1
151.07495	3.1
151.11191	4.2
153.05536	1.8
153.08965	2.6
155.08557	2.5
157.10139	14.8
159.08031	2.7
159.11662	18.8
161.09563	4.6
161.13243	18.4
163.14801	7.7
165.09096	3.5
165.12779	2.5
167.07021	23.9
167.10649	2.2
169.10167	2.5
171.10269	3.9
171.11691	11.9
173.13249	10.4
175.11055	2.2
175.14792	12.4
176.98917	2.7
177.09109	5.8
177.16393	2.4
179.10681	3.7
181.06479	3.9
181.08679	3.7
181.10175	2.3
183.11636	2.3
185.13239	7.9
187.10977	2.6
187.14801	3.7
189.16402	3.7
191.10693	3.2
191.17920	10.8
195.11668	3.4
199.11119	2.7
199.14842	8.5
201.12604	3.3
201.16376	7.6
205.12242	6.0
205.19490	5.3
207.13734	3.9
211.07660	2.2
211.14838	2.3
213.12750	6.0
215.14293	2.2
215.17775	2.7
217.12247	6.3
217.19499	32.5
219.13773	4.5
227.07001	3.5
227.14316	3.9
227.17917	3.8
231.13803	5.5
233.15233	2.9
237.16452	3.4
241.15833	2.6
245.15417	4.8
249.14848	3.0
255.17451	6.1
255.20891	2.4
259.16959	4.4
269.10461	5.3
269.19180	2.5
273.18558	7.0
277.17984	3.3
279.21036	3.3
287.11789	2.0
287.20123	3.0
288.09827	14.2
297.19031	3.1
297.22043	14.2
301.10764	3.6
303.12143	3.2
315.19727	4.0
315.23154	60.1
333.13455	4.2
333.20752	6.2
333.24219	100.0
334.24399	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	333.1901
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03937	2.7
55.01857	4.5
55.05495	5.4
57.03430	8.9
57.07062	14.9
59.04988	11.1
61.02917	9.0
67.05492	11.2
69.03417	25.8
69.07056	14.6
69.55244	5.5
69.55666	4.5
71.04984	8.5
73.02892	3.6
79.05485	3.7
81.03416	12.4
81.07034	5.5
83.01316	1.3
83.04976	1.9
83.08601	4.8
85.02890	69.0
85.06522	11.0
87.04440	5.2
91.03961	5.1
91.05467	4.1
93.07030	6.4
95.04953	5.3
95.08589	41.3
97.02876	26.6
97.06523	7.3
98.20737	2.4
98.98443	10.9
99.04433	5.7
99.08080	14.0
105.07031	2.9
107.08573	12.1
109.02870	9.3
109.06496	11.2
109.10130	19.8
111.04465	1.8
111.08044	10.3
113.09624	51.7
119.08636	2.3
121.06516	2.9
121.10080	1.4
123.04432	1.8
125.09605	1.6
127.03893	14.4
127.11174	43.9
129.09151	1.8
135.08069	1.8
135.11671	18.8
137.05943	7.5
137.13255	2.8
145.04930	21.1
145.06004	2.1
148.07574	2.2
153.01837	7.3
153.05466	2.5
153.12718	100.0
154.13058	1.7
155.14313	6.9
163.03847	1.3
163.06068	1.4
167.06996	8.1
171.13782	67.5
181.08696	1.7
195.13704	1.8
197.11742	1.6
213.14864	4.4
227.11812	1.7
255.07503	1.4
269.09106	3.7
270.09860	2.4
288.09921	1.4
297.08890	1.7
297.16809	2.0
301.11819	10.9
315.09689	3.5
315.13089	2.4
318.03665	2.6
333.02417	2.5
333.06027	7.1
333.10623	6.1
333.14133	7.5
333.19058	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	333.1175
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
53.03934	2.1
55.01854	2.9
55.05499	1.2
56.96520	1.0
57.03426	5.0
61.02917	4.9
65.03928	8.1
67.05486	1.5
68.99780	3.0
69.03419	17.2
69.07079	0.8
70.14144	4.0
71.04973	2.4
73.02911	2.5
79.01846	1.2
79.05487	1.5
80.37759	0.9
81.03407	6.4
81.07058	1.5
82.06576	3.4
83.04965	4.5
84.04537	0.8
85.02897	42.5
85.06522	0.9
86.09701	1.1
87.04443	1.7
87.41583	0.8
91.03960	1.9
91.05466	0.9
93.03396	3.5
95.04944	1.3
95.08598	1.3
97.02876	12.1
97.06516	1.3
98.97578	1.9
98.98456	23.8
99.04452	3.1
100.98877	1.6
107.04947	1.8
108.07415	0.9
108.08125	3.5
109.02872	5.3
109.06522	1.8
109.08429	2.5
109.10179	0.9
111.04427	41.4
111.05200	2.1
113.05912	0.9
115.03972	1.0
121.02971	1.1
121.03980	2.4
121.06420	0.9
123.04465	1.8
123.05540	4.6
123.41910	0.8
124.07573	1.1
124.99969	1.0
125.05928	0.9
127.03905	9.9
133.02910	1.1
135.04378	1.7
135.11664	1.6
136.06219	4.1
136.07605	0.9
137.05914	4.3
139.03886	100.0
140.04239	1.2
141.05482	2.7
143.03348	1.3
145.04926	4.7
147.04387	1.2
152.07021	2.2
153.01793	7.7
153.05455	1.9
153.06447	6.3
153.12711	1.3
154.08504	1.0
154.22186	0.8
155.07045	1.1
156.04182	3.0
161.11597	1.8
163.03925	2.8
165.05423	6.0
167.06972	2.0
169.04991	2.2
171.06503	100.0
171.13770	0.9
172.06964	2.1
172.09697	3.3
176.98929	3.5
177.05537	1.3
179.12619	3.4
181.04893	2.0
183.06502	1.8
195.83092	0.9
207.06627	2.5
215.06169	0.8
234.99046	1.1
237.02826	1.1
237.07611	1.4
275.03217	0.9
302.06665	0.9
315.05075	1.0
315.12823	1.7
333.14420	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	332.1337
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
57.03415	1.6
61.02910	1.6
67.05479	2.3
68.75823	0.8
69.03425	5.6
69.76297	5.4
72.72171	0.9
73.02863	1.0
76.14453	0.8
78.25860	0.8
81.03414	1.8
85.02888	7.2
87.04420	1.5
87.60245	1.0
93.47612	0.7
97.02872	3.0
98.20843	1.8
98.21393	1.3
106.06548	3.6
108.08102	97.0
109.02933	0.9
109.08413	1.2
123.06788	2.9
124.06717	1.0
124.07568	12.4
127.03891	1.5
134.05994	10.1
136.07568	13.4
137.08446	0.8
152.07042	73.4
153.07423	1.1
154.08635	1.9
161.05533	1.3
170.06036	1.3
170.06586	1.0
170.08095	12.3
314.12289	48.7
315.12787	2.3
321.10352	1.7
332.13367	100.0
333.13797	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	331.2836
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
54.65205	1.2
55.05301	1.1
55.05504	12.6
57.03430	7.2
57.07068	100.0
58.06577	1.2
67.05495	23.9
69.07057	17.2
69.40308	9.9
70.06583	7.0
71.08623	66.1
75.04468	3.2
79.05470	1.9
81.06577	1.9
81.07046	32.5
82.07373	1.1
83.08609	25.6
85.06528	1.8
85.10169	35.7
88.07610	8.0
89.05992	2.4
89.07943	1.2
91.05505	1.1
93.07053	1.9
95.07976	2.2
95.08595	47.1
97.10149	13.1
98.98454	54.0
99.11692	3.1
102.09137	3.4
106.08630	5.1
109.10138	24.2
111.11697	4.6
113.13223	1.5
123.11694	10.8
125.13229	3.6
137.05902	1.4
137.13231	5.7
140.01053	1.1
145.10062	1.2
151.07626	1.6
151.14832	1.9
153.59502	1.2
158.86615	1.1
165.16296	1.4
174.99226	3.4
176.98878	6.1
221.22597	3.6
239.23663	29.9
257.24762	6.8
287.12750	1.6
298.15540	1.1
298.19290	1.3
298.27411	2.2
311.80316	1.2
313.27338	75.5
313.32547	5.8
314.27625	2.6
331.11887	1.2
331.33939	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.2
57.03423	3.2
57.07069	58.3
58.07384	1.3
62.32838	0.8
67.05497	13.6
69.07062	10.9
69.72168	5.9
70.06570	4.0
71.08623	41.8
72.08928	1.0
73.73395	0.9
75.04458	3.1
79.05467	1.5
81.07052	19.2
83.08137	1.1
83.08610	15.5
85.10170	20.0
88.07619	5.0
89.07915	1.1
91.05455	2.3
93.07014	2.6
95.08595	31.9
97.10152	6.9
98.98453	100.0
100.98854	2.4
102.09168	1.0
103.07547	0.9
105.07033	2.3
106.08619	2.2
107.08537	1.7
109.10141	15.6
111.11694	2.8
113.02591	0.8
116.99483	3.3
119.08558	1.7
121.06473	1.2
121.10127	1.2
123.08051	1.7
123.11680	6.4
125.13245	1.3
131.08542	1.3
133.10121	1.1
135.11676	1.3
137.05949	2.9
137.13252	3.5
139.14827	1.0
140.01064	2.2
145.10103	2.0
151.07547	2.2
152.07271	1.1
159.11655	1.1
161.13130	1.1
163.07620	1.2
163.14919	1.1
165.16357	1.0
167.08440	0.9
170.07957	1.0
173.08359	1.0
174.99225	5.8
175.04033	1.0
176.98909	10.5
195.08008	1.0
221.22635	1.2
239.23660	17.2
252.99654	2.4
255.10132	1.3
257.24661	2.9
287.12799	1.5
313.27353	43.0
313.33038	2.7
314.27667	2.2
331.12430	0.9
331.18872	1.2
331.22653	2.8
331.26328	4.6
331.33954	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2625
Annotation	(7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid
Peak:m/z	Relative Intensity
53.03936	0.8
55.01857	1.2
55.05494	3.6
57.03422	0.8
57.07063	0.9
67.05496	14.0
69.03404	1.3
69.07050	6.7
70.80535	2.2
70.80891	0.7
71.04961	0.8
79.05058	0.9
79.05487	9.5
81.07044	22.8
83.08595	2.3
85.03655	0.7
85.06516	0.8
88.07554	0.9
90.51647	0.9
91.05480	6.1
93.06462	1.4
93.07030	23.2
95.04957	2.5
95.08592	29.0
96.08897	0.9
97.06505	1.3
97.10152	1.5
98.98452	76.6
100.98856	1.2
105.07019	7.5
107.04963	0.9
107.08577	32.1
108.08088	1.4
108.08849	0.8
109.06502	6.1
109.10148	11.7
111.08047	2.0
115.62932	0.8
116.99487	3.3
117.07016	1.9
119.08565	10.9
121.10127	34.8
123.08044	21.2
123.11710	3.6
125.09629	0.7
127.07512	5.1
129.06981	0.8
131.08534	3.4
133.10110	6.8
135.08087	1.1
135.11665	9.4
137.05988	2.5
137.09595	94.5
138.09924	1.5
139.11168	3.3
140.01031	2.7
143.08543	2.3
145.10071	6.2
147.11673	6.3
149.09671	0.8
149.12029	1.1
149.13237	22.9
150.13658	0.8
151.07542	3.9
151.11169	9.0
157.10100	2.8
159.11665	3.7
161.06062	0.7
161.09601	1.3
161.13173	4.0
163.07498	0.8
163.11185	1.5
163.14798	22.3
164.15155	0.9
165.12732	6.4
169.10117	2.1
171.11720	2.6
173.13202	6.0
174.99164	5.0
175.11205	0.8
175.14806	11.5
176.98888	7.6
177.12750	2.0
177.16360	31.3
178.02213	0.8
178.16629	1.0
179.14310	0.8
182.10898	0.8
183.11714	1.0
185.13239	3.2
187.14784	2.9
189.12781	2.0
189.16342	22.0
191.14255	3.6
193.15857	1.1
195.08000	0.9
197.13281	1.8
199.14790	8.8
201.16341	5.6
203.14226	2.0
205.15778	1.1
211.14845	1.7
213.16373	2.4
217.15829	4.8
219.17412	2.4
225.16342	6.0
227.10721	0.7
239.18007	1.3
243.17323	1.2
251.18025	0.8
252.99666	2.1
253.08406	0.9
253.19508	2.4
255.10170	1.2
257.19128	1.0
267.20914	0.9
269.07947	0.8
287.12637	1.6
295.24161	30.4
296.24539	1.8
313.21729	1.1
313.25153	12.4
314.25494	0.9
331.11606	1.9
331.26273	100.0
332.26553	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	331.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01859	3.5
62.84858	1.4
65.03915	4.2
65.80671	1.3
66.04701	1.3
67.05488	1.5
69.03418	2.1
70.60652	1.3
70.94598	2.0
70.94942	3.0
79.05484	4.2
81.07046	4.8
83.04948	2.7
91.05466	28.2
93.07025	3.6
94.04173	3.7
95.04959	6.9
96.02074	2.8
98.98453	41.8
103.05454	5.1
105.07014	4.7
107.01296	1.5
107.04933	8.1
107.08566	2.0
109.05830	1.5
109.06503	7.2
111.04423	11.4
115.05448	4.8
116.06103	1.3
117.07011	2.3
119.04917	15.7
119.08559	2.0
121.05761	1.3
121.06459	7.1
122.03613	7.9
123.04401	3.5
125.05966	2.1
128.06194	5.0
129.06998	16.6
131.04939	8.4
131.08536	2.2
133.10123	2.7
135.04407	3.2
135.08017	5.5
136.05171	2.7
137.05954	80.2
139.03885	5.1
141.06979	5.4
145.06461	7.8
146.07210	2.3
147.04381	5.3
147.08025	3.8
147.11765	1.4
149.05954	14.3
151.03951	6.5
151.07520	100.0
152.06207	6.0
152.07938	1.8
153.01848	1.6
153.05508	1.7
153.06982	8.4
154.07751	1.9
155.06000	2.4
155.08571	3.6
157.06477	16.7
157.09871	1.8
158.07231	2.5
161.05945	14.7
161.09607	3.3
163.07530	20.2
165.05545	3.0
165.06943	16.9
165.09097	2.5
166.07791	4.5
167.03363	3.1
167.07051	4.9
167.08563	14.8
168.05667	6.7
169.06474	7.2
170.07071	1.6
171.04456	2.3
171.08090	3.4
173.05939	3.9
174.06763	7.6
174.99194	2.3
175.07507	7.2
175.11183	2.7
176.98990	4.3
177.06967	2.9
177.09059	1.5
178.07771	9.2
179.08499	8.8
181.04959	2.0
181.06435	13.3
182.07207	9.0
183.04356	1.5
183.08005	9.9
184.05185	3.1
184.08896	1.7
185.05910	11.5
185.09581	1.4
186.06693	5.1
187.07541	2.2
189.09076	33.9
191.08482	2.3
192.01663	1.4
193.06409	7.8
193.10150	8.3
193.11929	1.8
194.07217	3.4
195.08023	26.6
196.05228	6.1
196.08823	2.6
197.05986	19.1
197.09526	6.8
198.06618	4.1
199.07500	5.1
200.08284	1.6
203.08592	2.1
205.06544	2.7
206.07236	3.1
207.04448	3.2
207.08067	8.3
207.10152	5.0
208.08543	1.6
209.05971	6.5
209.09642	5.1
210.06728	14.4
211.04071	1.7
211.07500	19.3
212.04608	3.2
212.08237	5.8
213.05275	6.7
213.09108	3.9
214.06180	8.6
221.05971	12.9
221.09499	13.6
222.06664	1.7
223.07518	13.6
224.04694	2.8
224.08273	11.2
225.05453	16.8
225.09036	22.8
226.06233	8.3
227.07057	16.7
227.10616	28.8
228.07744	3.5
229.04942	7.6
229.08577	3.1
230.05746	3.2
234.06648	2.2
235.07423	8.0
237.05580	2.7
237.09106	3.4
238.06224	9.6
239.06978	13.4
239.10666	4.8
240.07727	4.8
241.04955	4.0
241.08620	4.0
242.05652	9.6
242.09366	2.7
243.06454	2.9
243.10201	3.3
244.07242	1.6
249.09094	8.1
251.07021	2.9
252.04454	1.5
252.07848	4.9
253.04921	3.3
253.08556	37.9
253.12148	13.1
253.14211	1.0
254.05629	7.9
254.09271	2.7
255.06551	20.6
255.10172	28.1
256.07236	3.1
257.08148	4.7
257.11713	3.7
267.06720	2.4
267.10144	11.3
269.08130	5.8
269.11487	2.3
270.05258	4.1
270.08771	7.1
271.06949	2.2
271.09598	10.7
272.06763	4.2
272.10364	4.5
281.08109	12.4
281.11670	7.6
282.08762	4.2
285.07602	56.4
285.11206	33.0
286.07980	2.6
287.12726	55.3
288.10172	1.7
298.11923	2.3
299.09125	27.7
300.09650	2.3
301.14355	3.0
303.12076	1.7
313.07327	2.4
313.10706	39.6
313.14346	17.9
316.09204	3.1
331.11755	99.5
331.15344	10.8
332.12097	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	331.1534
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
51.02362	1.2
53.18782	1.0
55.01861	1.7
65.03951	1.3
67.05482	2.2
68.54417	1.0
69.07063	1.6
69.60416	2.7
69.60820	5.7
79.05479	5.2
81.07062	5.4
91.05469	23.1
93.07013	2.7
94.04150	1.9
95.04958	7.4
95.08585	2.6
98.21548	2.2
98.98450	34.6
103.05447	4.7
105.07005	4.5
107.04961	5.8
107.08553	2.2
109.02874	1.6
109.06503	5.6
109.10160	2.3
111.04404	1.5
115.05454	1.7
117.07006	1.1
119.04940	18.9
121.06486	7.5
121.10178	1.1
122.03630	5.4
123.04403	1.7
123.07987	1.9
128.06223	4.2
129.06982	14.7
131.04915	5.0
131.08598	2.6
133.02847	1.7
133.06476	2.9
133.10121	1.3
135.04369	1.1
135.08049	5.7
136.05183	1.5
137.05962	73.5
138.06291	1.5
139.05353	1.2
145.06419	3.6
145.10060	1.7
146.03683	1.6
146.07219	1.3
147.04425	1.8
147.08034	1.7
148.05182	2.3
149.05968	14.3
151.03879	3.7
151.07523	100.0
152.06190	3.8
152.07803	1.9
153.06978	2.9
155.08588	1.6
157.06465	12.0
158.07277	1.4
159.11732	1.1
161.05962	12.1
161.09604	3.2
163.07513	23.5
163.08754	1.6
165.06979	10.9
165.09108	5.0
166.07722	3.1
167.07146	1.7
167.08525	14.9
169.06430	4.9
174.06718	7.1
174.99231	1.9
175.07558	4.9
176.98885	3.6
177.05391	1.2
177.06879	2.7
177.09070	3.6
178.07735	5.9
179.08530	2.5
181.06487	7.0
182.07245	4.0
183.08037	4.7
184.08769	1.3
185.05869	1.9
189.09085	41.8
191.08394	1.1
192.09331	1.9
193.06419	8.6
193.10066	8.4
194.07216	2.4
195.08037	23.9
196.05127	2.2
196.08685	2.2
197.05875	7.0
197.09593	1.9
199.07391	1.5
203.08505	3.5
206.07092	2.6
207.08290	1.7
207.10072	6.8
209.05911	4.0
209.09572	4.2
210.06693	8.7
211.07455	6.4
212.08244	5.1
213.05351	2.0
214.06071	1.3
220.08847	1.8
221.05986	9.2
221.09525	10.8
223.07480	10.8
224.08276	4.1
225.05461	3.1
225.09038	10.2
227.07025	3.8
227.10620	27.8
228.07758	2.2
234.06631	1.4
235.07597	1.6
237.05438	2.2
237.09042	3.8
238.06248	6.0
238.09860	1.7
239.06979	2.7
239.10611	2.0
240.07719	5.0
241.08545	2.1
241.12152	2.4
242.09369	1.3
243.10481	1.2
249.09096	5.7
252.07794	2.3
253.08560	16.7
253.12187	16.1
254.09189	1.2
255.06479	2.8
255.10133	32.6
256.07333	2.5
256.10654	2.2
257.08179	1.5
266.05756	1.2
267.10217	5.2
269.07971	3.9
269.11688	2.3
270.08722	1.7
271.09518	2.6
272.10355	3.7
273.07364	1.5
281.11691	7.0
284.10333	1.6
285.11154	21.1
287.12741	57.7
298.12021	1.4
299.08975	3.4
299.12509	1.7
301.14377	2.7
313.14282	16.2
316.09064	1.4
331.11676	37.5
331.15378	11.9
332.11996	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1533
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
57.34937	1.7
65.03922	1.9
67.05494	1.9
69.03433	1.8
71.28998	3.3
79.05482	2.8
81.07032	3.9
91.05466	28.2
94.04184	4.0
95.04973	6.0
98.98459	11.2
103.05450	6.1
105.07034	5.6
107.04930	6.9
109.02882	1.8
109.06490	4.7
115.05420	2.7
117.07008	2.5
119.04929	14.0
120.91229	1.7
121.06515	7.9
122.03646	7.3
127.03844	1.9
128.06213	3.9
129.06987	17.5
131.04921	8.2
131.08588	2.9
135.08066	7.0
136.05193	3.6
137.05957	80.7
138.06328	2.7
139.07561	2.0
141.06920	2.0
145.06464	3.9
146.07251	2.5
149.05969	14.8
150.06682	2.0
151.03867	4.9
151.07524	100.0
152.06186	3.1
153.01724	2.2
153.06979	4.7
157.06471	13.0
160.05193	2.6
161.05960	16.9
161.09608	3.3
163.07521	20.7
165.06943	14.2
165.09088	5.9
166.07660	3.2
167.07172	3.3
167.08582	16.5
169.06487	2.5
174.06731	4.9
175.07515	5.6
177.09084	2.6
178.07768	6.3
179.08521	2.9
181.06470	8.9
181.10081	2.7
182.07260	4.1
183.08096	2.9
184.08716	2.4
187.07553	2.5
189.09070	37.6
192.09303	2.5
193.06470	7.6
193.10110	8.4
194.07289	2.6
195.08025	25.3
197.05992	6.6
197.09602	2.6
207.10191	6.3
209.05804	7.0
209.09584	4.4
210.06770	10.3
211.07524	6.6
212.08281	4.1
220.08768	2.3
221.06021	10.3
221.09589	11.6
222.06602	3.1
223.07504	13.3
224.08331	4.7
225.09032	12.5
227.07051	4.2
227.10628	28.3
237.05206	2.9
237.09126	4.8
238.06215	7.0
238.09856	2.4
239.07030	3.3
240.07829	4.1
241.08540	2.4
249.09117	8.8
252.07726	2.8
253.08589	16.6
253.12238	16.9
254.09166	2.2
255.06419	3.5
255.10109	29.2
256.10678	2.5
257.07892	2.1
266.09305	2.1
267.10135	7.6
269.08060	4.5
270.08588	3.5
271.09641	4.6
272.10526	5.2
281.11792	4.0
285.11145	24.8
287.12759	58.7
288.13107	3.9
299.01770	1.8
299.09222	2.1
301.14310	1.9
313.14328	19.5
316.08911	9.5
331.04584	2.0
331.07941	3.2
331.11636	35.1
331.15442	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	331.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73059	1.5
55.01856	4.0
56.71166	1.8
57.03436	2.0
64.16595	1.8
65.03917	2.2
67.05490	3.3
69.03424	3.8
69.07031	1.9
69.32468	18.1
73.02941	1.9
79.05470	4.7
79.52589	1.7
81.03420	11.4
81.07047	9.7
83.04951	2.3
85.02845	1.9
85.06551	2.0
91.05470	27.4
93.07025	8.7
94.04153	2.2
95.04974	10.9
95.08594	4.7
97.02902	2.0
97.06530	2.4
98.98455	53.1
99.04436	2.5
100.98794	1.7
103.05440	4.8
105.07033	11.0
107.04925	5.7
107.08550	4.7
109.02863	2.4
109.06497	8.8
109.10152	7.7
111.04427	2.2
111.08018	1.9
115.05454	2.9
119.04941	16.5
119.08553	4.6
121.06499	13.3
121.10103	2.3
122.03611	5.9
123.04421	2.8
123.08028	3.1
123.11712	3.0
125.05961	3.1
128.06212	5.8
129.07011	14.0
131.04904	6.9
133.10081	4.6
135.08026	6.2
136.05177	3.4
137.05960	84.7
139.07553	3.5
141.06914	1.9
143.04892	1.8
145.06418	3.7
147.08052	2.7
147.09128	3.8
147.11662	4.4
149.05978	11.9
151.03883	6.0
151.07527	100.0
151.11151	4.2
152.06209	3.6
153.06963	4.5
157.06493	13.4
157.10065	3.3
159.08060	2.7
161.05989	14.9
161.09618	3.5
163.07526	23.7
164.08258	2.1
165.07001	12.3
165.09094	5.9
165.12680	4.0
166.07684	3.2
167.07140	2.8
167.08537	15.7
168.05708	1.8
169.06471	2.4
169.12172	2.5
171.11710	2.2
173.05875	2.1
174.06737	6.0
174.99283	3.0
175.07465	5.1
175.08762	3.2
175.11160	4.7
176.98915	5.9
177.06934	3.8
177.09155	3.2
177.11429	1.9
178.07756	4.8
179.08455	2.6
181.06441	5.1
181.08649	1.9
182.07265	2.9
183.08054	5.6
187.07437	2.0
189.09081	32.9
192.09283	2.8
193.06429	6.7
193.10103	7.8
193.12173	3.9
194.07333	2.0
195.08028	24.4
196.05157	2.7
196.08823	2.2
197.05894	6.5
197.09634	3.3
199.07457	3.1
203.08459	2.8
207.10098	6.4
207.13734	3.8
209.06027	4.1
209.09624	3.9
210.06647	8.4
211.07516	8.7
211.13251	1.8
212.08244	2.7
213.05348	1.8
213.09157	1.8
217.12195	7.4
221.06049	11.7
221.09557	13.7
223.07498	11.7
224.08229	3.8
225.05386	3.9
225.09021	14.6
227.07008	4.3
227.10635	26.8
228.07617	2.2
235.13351	9.0
238.06274	6.5
239.06978	8.9
239.11786	3.9
240.07684	3.3
241.08585	2.9
243.10164	2.9
249.09062	6.1
252.07820	3.0
253.08617	15.8
253.12091	15.6
253.14421	5.2
255.06586	4.5
255.10123	28.0
267.11044	7.9
269.08136	4.6
269.11685	4.1
270.08551	2.2
271.09595	5.6
272.10483	3.2
281.07986	3.1
281.11682	6.5
285.07526	4.6
285.11197	26.1
287.12741	52.1
288.13028	1.9
295.10660	4.6
299.02112	2.7
299.09119	6.2
299.12442	2.0
301.14212	1.8
313.07669	1.7
313.11331	9.6
313.14496	14.3
316.08936	2.1
331.04803	10.9
331.11911	50.8
331.15369	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1533
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03919	2.0
71.08024	3.3
71.08360	2.0
73.80983	1.2
75.55950	1.2
78.64783	1.5
79.05478	4.9
81.07038	4.5
82.47974	1.4
85.02893	1.8
91.05466	31.3
91.42378	1.4
93.07041	2.8
94.04161	2.2
95.04398	1.3
95.04945	8.0
95.08617	1.8
97.02870	1.7
98.98451	64.8
100.98859	1.7
103.05447	6.8
105.07010	7.5
107.04945	8.8
107.08599	2.0
109.02858	2.3
109.06487	5.8
109.10124	1.8
111.04390	1.9
115.05431	3.3
116.99456	2.2
117.06987	2.9
119.04917	14.6
121.06493	8.9
122.03668	9.4
123.04429	1.9
123.08044	3.7
125.05957	2.0
128.06183	2.9
129.06982	15.6
131.04913	10.7
131.08537	2.2
133.06480	3.4
135.04439	1.8
135.08022	5.3
136.05205	2.5
137.05956	93.7
138.06284	1.7
139.65588	1.5
143.04863	1.5
145.06505	3.6
147.04378	2.0
148.05133	1.9
149.05945	12.8
150.06772	1.9
151.03886	5.3
151.07521	100.0
152.06123	2.6
152.07901	3.0
153.01724	1.6
153.06938	1.9
157.06487	10.2
158.07233	1.9
161.05965	21.6
161.09575	5.3
163.07512	40.9
163.08775	2.7
165.06967	12.3
165.09088	3.6
166.07678	1.8
167.07059	2.6
167.08499	16.8
169.06462	2.4
169.09866	1.9
174.06775	8.9
174.99243	3.7
175.07565	3.9
176.08093	1.6
176.98906	8.1
177.06949	3.5
177.09050	3.3
178.07759	6.0
179.08524	3.8
181.06462	4.8
182.07251	5.9
183.08134	1.5
189.09061	39.1
192.09265	1.8
193.06436	7.2
193.10089	8.3
193.11743	1.5
194.07214	3.1
195.08037	25.3
196.08839	1.7
197.05923	5.3
197.09616	2.4
199.07588	1.9
203.08607	2.6
207.08220	3.5
207.10153	9.9
209.05740	2.2
209.09563	4.0
210.06696	10.6
211.07451	6.2
212.08257	5.5
221.05977	9.2
221.09460	8.7
223.07475	14.3
224.08258	4.5
225.05385	2.3
225.09073	9.3
227.06975	3.8
227.10605	26.8
227.12665	2.6
231.66631	1.4
234.06715	2.0
235.84436	1.5
237.09065	3.0
238.06198	5.5
239.06873	1.6
240.07710	5.0
241.08495	3.5
249.09047	6.1
252.07649	3.5
252.99840	1.7
253.08569	14.0
253.12198	12.5
254.09448	1.9
255.06363	2.6
255.10133	24.1
267.10010	7.0
269.08096	4.7
269.11462	2.2
270.08441	1.5
271.09540	1.9
272.10367	3.2
281.11658	7.3
284.10379	2.3
285.11111	18.0
287.12720	54.5
288.12967	1.7
298.11929	3.1
301.14316	2.7
313.11261	2.3
313.14383	15.2
322.63147	1.7
331.11768	14.6
331.15375	6.9
331.22763	1.6
347.84915	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01860	2.4
55.05491	1.9
63.12499	0.7
65.03915	2.1
67.05492	3.2
69.03414	1.9
69.07059	2.4
69.43301	2.9
69.43730	5.4
76.91081	0.8
79.05479	3.8
81.03399	2.3
81.07042	4.8
83.04950	2.0
85.02889	1.3
91.05465	32.2
93.07035	2.7
93.48302	0.8
94.04172	2.3
95.04952	6.9
95.08598	3.7
98.98451	32.6
103.05450	4.6
105.07008	6.5
107.04940	8.0
107.08578	2.4
109.02870	2.7
109.06536	5.0
109.10146	2.5
111.04423	2.0
111.08087	1.0
115.05447	3.5
117.06989	1.7
119.04928	18.2
119.08539	2.0
121.06488	8.0
121.10154	1.2
121.28862	0.9
122.03622	8.3
123.04402	1.7
123.11681	2.0
125.05975	1.3
127.03912	1.2
128.06212	3.4
129.06993	15.3
131.04913	6.5
131.08559	3.1
133.02844	1.1
133.06485	3.2
133.10133	2.3
135.04462	1.0
135.08011	4.8
136.05183	4.4
137.05960	92.7
138.06262	1.8
139.07457	1.4
141.06981	2.1
143.08553	1.5
144.05655	1.0
145.06473	3.9
145.10114	1.5
146.03665	1.3
146.07228	1.3
147.04405	2.2
147.08043	2.3
147.11700	1.4
148.05173	1.4
149.05957	16.1
150.06709	1.5
151.03935	5.4
151.07523	100.0
152.06175	6.5
152.07890	1.6
153.01822	2.4
153.05568	0.9
153.06979	6.6
154.07555	1.0
155.06030	0.9
155.08528	1.9
156.05640	1.6
157.06470	16.0
158.07239	0.9
159.04381	1.2
159.08038	1.3
161.05957	16.8
161.09630	3.6
162.06638	1.0
163.07524	22.3
165.05589	1.8
165.07005	17.2
165.09071	4.7
166.07796	3.5
167.07043	3.0
167.08511	15.8
167.09853	1.5
168.05685	2.6
169.06461	3.2
170.07254	1.8
171.08014	1.3
171.11539	1.2
174.06737	5.9
174.99231	1.9
175.07480	5.7
175.11122	1.5
176.06297	1.3
176.98955	2.9
177.05505	2.0
177.07014	2.4
177.09094	3.2
178.07758	5.7
179.07104	1.6
179.08557	3.5
180.05608	0.9
181.04945	1.5
181.06441	11.2
181.10031	1.9
182.07253	7.8
183.08018	8.0
184.08817	1.0
185.05980	3.2
187.07545	2.7
189.09077	38.7
190.09453	1.0
191.08549	1.7
192.09315	1.6
193.06454	8.0
193.08458	1.2
193.10089	8.1
193.11919	1.2
194.07350	3.7
195.08012	26.2
195.09778	1.6
196.05193	3.1
196.08803	2.4
197.05957	10.7
197.09630	2.7
198.06702	3.8
199.07474	4.4
200.08228	1.1
203.08580	1.9
205.06500	1.6
206.07213	1.6
207.04405	1.6
207.08035	2.3
207.10164	6.6
209.05917	4.8
209.09592	4.3
210.06711	11.5
211.07498	12.4
212.04730	1.4
212.08270	5.9
213.05360	4.3
213.09074	3.0
214.06203	2.7
217.12218	1.6
219.08054	1.2
220.05136	1.1
220.08754	1.6
221.06000	11.2
221.09573	12.4
222.06660	1.3
223.07492	13.6
224.04723	1.5
224.08286	4.9
225.05544	5.3
225.09030	15.0
226.06100	2.0
227.07141	7.5
227.10626	29.4
228.07755	5.2
228.11052	1.0
229.08318	2.4
230.05717	1.9
233.05905	1.1
234.06657	1.1
235.07484	2.0
235.13309	1.5
237.05438	2.3
237.09062	3.6
238.06235	8.3
238.09901	1.9
239.07010	5.8
239.10658	1.2
240.07776	5.3
241.05023	2.1
241.08583	3.7
241.12253	1.8
243.06444	1.5
243.10196	2.7
245.08073	1.4
248.08138	1.0
249.09128	5.8
251.07040	1.6
251.10829	1.1
252.07817	2.4
253.08603	22.1
253.12233	17.9
253.14024	1.4
254.09163	2.0
255.06412	5.9
255.10126	29.5
255.12720	1.6
256.07358	3.5
256.10706	1.8
257.08044	3.1
263.10577	2.0
266.09406	1.1
267.07260	1.6
267.10202	7.0
269.08124	5.7
269.11700	2.0
270.08823	3.0
271.09552	6.8
272.10333	5.5
273.07590	2.8
281.08109	2.4
281.11755	5.8
282.08957	1.4
284.06924	1.3
284.10440	2.9
285.07651	4.0
285.11224	22.5
287.12741	60.8
288.09924	2.1
288.12930	1.2
298.12000	1.2
299.09119	3.8
299.12515	1.9
300.99747	1.2
301.14383	2.0
302.11414	1.0
303.12100	1.3
313.10800	2.9
313.14264	19.2
316.02225	1.3
316.09180	3.2
331.04590	4.4
331.11746	86.2
331.15408	15.8
332.12201	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	331.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10049	1.3
55.01850	2.5
55.05501	6.6
65.03906	1.9
67.05503	2.0
67.21693	1.4
69.03487	1.3
69.98170	5.4
69.98594	2.8
79.05464	2.4
80.74547	1.5
81.07039	3.2
83.04951	2.4
83.08598	4.0
85.02888	2.3
91.05460	24.9
94.04187	2.6
94.68335	1.3
95.04961	6.5
95.08543	1.5
96.02117	1.6
98.98451	9.0
100.11234	11.4
103.05440	5.4
105.07027	4.4
107.04938	6.4
107.08589	1.9
109.06496	6.3
110.06008	1.6
111.04422	6.5
115.05473	3.2
117.06999	2.3
119.04894	15.1
121.06501	7.5
122.03664	5.7
123.04411	2.6
123.08056	1.8
128.06200	5.0
129.06966	16.3
131.04895	6.0
131.08533	1.7
133.06494	3.1
135.08049	6.7
136.05139	2.4
137.05952	86.1
138.06290	1.8
139.03850	1.9
139.07571	1.8
141.06975	2.4
143.08575	1.9
145.06461	5.5
146.07278	2.6
149.05978	10.1
151.03943	3.7
151.07515	100.0
151.27368	1.5
152.06192	3.2
153.06937	3.2
154.07727	1.6
155.08434	1.8
157.06445	13.7
161.05945	16.2
161.09621	3.1
163.07497	22.1
165.06987	11.5
165.09087	4.4
166.07697	2.2
167.07109	2.7
167.08481	13.3
168.05632	2.3
169.06403	3.4
171.04369	2.0
174.06743	5.7
175.07542	4.5
176.98856	1.5
177.06961	2.4
177.09108	2.1
178.07736	8.3
179.08528	5.9
181.06497	6.2
181.10167	1.4
182.07259	6.1
182.15350	2.9
183.07994	2.6
184.05193	1.7
184.08810	1.4
185.05978	2.1
186.06648	2.9
189.09076	32.6
193.06467	7.5
193.10037	10.6
195.08054	24.9
196.05281	1.5
196.08781	1.9
197.05914	12.5
197.09592	4.5
198.06728	2.8
199.07559	2.6
202.07730	2.5
203.08430	2.8
206.07237	1.8
207.08156	3.3
207.10127	7.5
209.05911	3.8
209.09598	2.8
209.16467	4.2
210.06718	10.5
210.14902	4.6
211.07568	8.3
212.08234	7.2
213.05533	3.2
214.06131	2.3
221.05952	10.2
221.09505	11.5
223.07475	10.8
224.08318	6.0
225.05467	6.1
225.09056	15.4
226.06181	3.4
226.19109	3.9
227.07022	6.2
227.10635	26.5
228.07607	2.1
229.05025	2.1
234.06644	1.6
235.07520	4.8
237.05556	1.8
237.09061	3.1
238.06233	7.1
239.06972	6.3
239.10640	3.0
240.07736	4.5
242.05699	3.0
249.09000	6.5
252.07851	3.5
253.08540	24.1
253.12173	15.6
254.05725	3.2
254.09215	2.9
255.06427	7.0
255.10089	30.7
257.11676	2.0
266.09256	1.8
267.06674	1.4
267.10098	7.5
269.08127	5.5
269.11691	2.0
270.08682	4.2
271.09665	3.2
272.10422	3.3
281.08032	6.3
281.11655	7.8
281.70209	2.7
285.07565	21.4
285.11194	26.1
287.12723	58.7
288.13095	2.6
292.14661	1.5
299.09003	9.4
301.14627	3.0
313.10675	16.5
313.14337	22.9
326.27957	2.9
331.08417	2.7
331.11719	36.1
331.15411	12.1
332.11990	2.8
336.22855	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1282
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
55.01829	0.5
55.05466	0.4
57.07039	0.3
66.93197	0.3
67.05434	0.9
69.03371	1.1
69.07031	0.6
70.86957	0.6
70.87309	0.7
79.05428	1.3
80.33954	0.3
81.03358	0.5
81.07050	1.9
85.02885	0.5
85.06482	0.5
91.05473	1.5
93.07021	1.7
95.04919	0.7
95.08533	0.9
97.06434	0.5
98.98454	16.4
99.04380	0.4
103.05390	0.5
105.00041	0.4
105.06965	1.3
107.04887	0.5
107.08527	0.9
109.02823	0.6
109.06453	1.0
109.10092	0.8
111.08018	0.6
115.05399	0.4
116.99475	0.6
117.06942	0.6
119.04894	0.7
119.08548	0.5
120.08064	0.4
121.06474	1.6
121.10074	0.5
122.03648	0.6
123.04404	0.4
123.08006	0.5
123.11638	1.0
125.05939	0.3
127.03938	0.3
129.06918	0.4
131.04872	0.7
133.10100	0.6
135.07999	0.6
137.05962	6.4
141.06946	0.4
147.11642	0.9
149.05879	0.7
151.03880	1.1
151.07489	3.8
151.11121	0.7
153.01723	0.3
153.05476	0.3
153.06868	0.7
157.06470	0.7
161.05933	0.9
161.09613	0.4
163.07518	3.9
165.06984	1.5
165.09058	0.3
167.07030	0.5
167.08487	0.7
168.07397	0.4
169.12106	0.6
169.33957	0.3
174.06606	0.5
174.99095	0.6
175.11182	0.7
176.98886	1.9
177.05452	0.4
179.08592	0.4
181.06473	0.8
183.07922	0.7
185.05974	0.5
189.09038	1.7
193.06461	0.4
193.12225	0.6
195.08083	1.0
196.05115	0.6
196.09888	1.4
197.05800	0.6
207.10094	0.5
209.05830	0.9
210.06702	1.2
210.11327	0.5
211.07385	0.7
211.12192	2.0
212.09354	0.4
217.12204	1.2
221.05771	0.3
223.07390	0.7
224.04544	1.2
224.09436	0.9
225.05444	0.4
225.10178	1.3
226.10997	1.5
227.06935	0.6
227.10669	1.0
228.07799	0.4
230.05588	0.5
235.13254	1.4
237.05406	0.4
238.06114	0.6
238.10982	0.8
239.11771	34.5
240.12155	2.1
241.04927	0.6
241.13332	0.7
242.05695	0.4
244.12027	0.6
249.09377	0.3
252.08788	0.6
253.04968	0.4
253.09032	0.7
253.12033	0.5
253.14355	1.0
255.06461	0.6
255.10202	0.7
256.07208	0.4
257.08148	0.4
266.10477	4.3
267.11255	55.1
268.11722	3.0
269.93723	0.3
270.08490	0.4
271.09598	1.5
281.08023	0.6
281.11472	0.4
285.07620	0.6
285.12344	4.2
287.12616	1.5
295.10733	30.1
296.10968	1.7
299.09296	1.2
301.10538	0.4
313.11768	30.3
314.12054	1.3
316.08917	0.7
325.43274	0.3
331.12814	100.0
332.13147	5.8
350.28796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1172
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
50.17533	0.7
55.01862	2.6
55.05510	0.8
65.03930	3.8
67.05510	1.8
69.03419	2.9
69.07065	1.0
70.75753	1.7
70.76105	0.9
71.04968	1.7
79.05478	2.4
81.03393	1.7
81.07038	3.9
85.02890	2.0
91.05464	6.1
93.03411	1.5
93.07018	1.6
94.04136	1.0
95.04947	3.5
95.08601	3.6
96.02091	3.0
97.06499	2.2
98.98456	27.5
103.05447	1.9
105.07014	3.1
107.01315	1.6
107.04926	2.7
107.08591	1.9
109.02853	1.2
109.06481	2.1
109.10128	2.5
111.04426	15.7
111.08045	1.0
113.09655	1.0
115.05435	2.7
117.06995	2.6
119.04935	3.2
119.08554	1.5
121.02869	1.4
121.06490	3.0
121.10090	0.9
122.03617	2.1
123.04395	2.5
123.08009	1.0
123.11716	1.3
125.06006	1.3
125.09629	1.0
128.06186	2.3
129.06979	5.7
131.04884	2.8
131.08551	0.8
133.06491	1.3
133.10094	1.2
135.04399	0.9
135.08080	1.5
136.05133	0.9
137.05959	18.2
138.06259	0.7
139.02922	0.9
139.03886	10.9
139.07539	0.9
140.06216	1.2
141.05524	0.8
141.06981	7.6
143.04895	1.2
143.08554	1.5
145.06456	7.2
146.03578	0.8
146.07222	2.4
147.04384	2.5
147.08029	2.1
147.11659	1.7
148.05167	0.9
149.05954	3.5
149.78699	0.8
151.03917	1.5
151.07521	13.4
152.06139	1.9
153.01784	3.1
153.05629	1.3
153.06976	6.8
154.07782	1.4
155.04816	0.8
155.08528	3.1
157.06445	5.5
158.07245	2.8
159.04427	0.9
159.11754	0.9
161.05949	4.7
161.09563	1.1
163.03877	0.7
163.07507	3.0
165.05653	1.1
165.06955	7.8
165.09134	1.1
165.19960	0.8
167.03397	6.0
167.04672	1.1
167.07016	2.3
167.08554	3.8
168.05688	5.7
169.06485	7.0
169.10107	2.3
170.07211	2.1
171.04419	1.7
171.07968	4.3
173.05904	4.5
173.09532	0.9
174.06714	2.2
174.99252	1.8
175.07536	3.1
175.11049	1.7
176.98897	2.6
177.05429	1.6
178.07774	4.7
179.08531	9.3
181.06461	11.7
181.09979	1.0
182.07225	3.7
183.04373	1.1
183.08026	9.4
184.05164	3.5
185.05942	12.8
186.06747	5.0
189.07285	1.0
189.09030	5.0
193.06517	4.1
193.08330	0.8
193.10146	1.4
195.08005	5.2
196.05150	5.6
196.08867	2.5
197.05959	17.7
197.09598	7.8
198.06725	5.1
199.03920	1.7
199.07500	4.7
200.08191	0.9
201.05502	1.5
201.09041	1.2
201.16376	0.9
203.08516	0.9
206.07190	2.3
207.04477	1.4
207.06221	1.3
207.08020	11.0
208.05212	1.8
208.08720	1.0
209.05913	6.5
209.09622	1.5
210.06731	7.0
211.04012	0.9
211.07509	18.3
211.10995	0.7
212.04666	3.2
212.08199	2.8
213.05446	5.6
213.09052	2.0
214.06213	9.4
214.09843	0.9
215.06816	1.6
215.10608	0.8
217.12297	1.9
221.05922	2.3
221.09613	2.7
223.07492	4.0
224.04668	3.4
224.08290	8.8
225.05478	20.6
225.09015	18.3
226.06174	7.9
226.09506	1.4
227.03481	1.3
227.06996	18.7
227.10670	2.9
228.07681	3.8
229.04945	10.5
229.08585	3.0
230.05682	1.5
234.06819	1.7
235.07513	7.1
235.13269	2.2
237.05415	2.8
237.08943	1.2
238.06194	4.4
239.07001	12.4
239.10513	5.6
240.07664	2.2
241.04961	4.6
241.08559	4.1
242.05731	10.8
242.09326	2.5
243.06544	2.2
243.10080	3.6
244.07333	2.2
249.09158	2.2
252.04184	2.6
252.07808	2.9
253.04834	6.3
253.08574	35.4
254.05716	14.2
254.08936	2.3
255.06494	22.9
255.10141	3.6
256.07062	3.7
257.08115	6.3
257.11679	5.3
258.08563	1.2
263.06979	2.0
267.06567	3.1
267.10159	6.8
268.07184	1.1
269.08044	2.5
270.05527	4.4
270.08813	7.7
271.09592	11.2
272.06784	5.2
272.10190	1.3
273.07513	1.8
281.08060	20.8
281.11188	1.7
282.08777	5.7
285.07553	79.4
285.11148	22.2
286.07944	4.3
286.11041	1.0
287.12732	7.0
292.73428	0.9
295.09683	3.3
298.08264	1.8
299.09106	32.4
300.09579	1.7
301.07239	0.9
303.12433	2.5
313.10687	57.4
313.14041	3.2
314.11093	3.8
316.09091	2.8
331.11716	100.0
332.12213	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	330.3361
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
57.07071	5.4
58.06581	0.6
62.06070	0.3
70.06582	10.1
70.78535	0.7
71.08627	2.9
82.51611	0.2
82.70753	0.2
85.10172	1.1
88.07619	12.7
98.98448	3.3
102.09175	3.6
106.08651	7.8
123.37518	0.2
132.76811	0.2
133.80281	0.2
174.99142	0.2
176.98915	0.3
261.63068	0.2
268.30121	0.3
286.30978	0.8
312.32529	5.8
313.32684	0.3
330.33609	100.0
331.33972	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	331.1171
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
55.01852	4.0
65.03916	3.1
65.23972	1.1
66.25888	1.1
67.05509	1.2
69.03436	1.5
69.30082	12.7
71.84049	1.1
78.95978	1.2
79.05476	3.7
79.67402	1.2
81.07034	2.4
83.04953	1.3
85.02896	2.2
91.05467	15.1
93.03369	1.7
93.07026	1.8
94.04140	1.7
95.04955	4.7
95.08608	1.5
96.02097	4.2
96.73856	1.2
98.98453	22.3
103.05447	3.4
105.06999	3.9
107.01289	3.4
107.04929	3.7
109.02868	2.2
109.06476	2.7
111.04424	22.1
115.05444	5.4
117.06979	2.4
119.04923	10.6
119.08592	2.0
121.02885	1.5
121.06467	4.0
122.03645	2.3
123.04374	2.7
128.06198	4.8
129.06987	10.0
131.04930	4.1
133.06467	2.3
133.10149	1.7
135.04379	2.2
135.08017	2.7
136.05182	2.2
137.02397	1.5
137.05957	44.4
139.03870	12.0
141.07013	8.8
143.04868	1.4
143.08533	2.2
145.06430	10.5
146.07210	3.6
147.04382	2.7
147.11673	1.7
148.05130	1.4
149.05919	8.4
151.03932	3.2
151.07523	48.7
152.06175	4.7
152.07913	1.3
153.06966	8.7
154.07719	2.0
155.08565	4.8
156.05684	1.6
157.06468	12.9
158.07288	4.0
161.05972	9.8
161.09541	2.8
163.07509	11.6
165.06981	13.8
165.09062	2.8
166.07735	2.6
167.03398	5.8
167.04761	1.4
167.07076	3.1
167.08534	12.8
168.05676	8.8
169.06451	11.6
169.10165	2.0
170.07256	2.0
171.04408	3.5
171.08002	5.1
173.05988	4.7
174.06746	4.8
175.07542	6.0
176.98903	2.0
177.05510	2.1
178.07756	9.9
179.08498	12.9
181.06473	14.7
181.10042	2.3
182.07260	8.1
183.04375	1.7
183.08009	8.3
184.05171	4.3
184.08801	1.5
185.05972	19.2
186.06696	8.3
187.07555	1.5
189.07477	2.3
189.09103	14.8
193.06459	5.2
193.10165	4.0
194.07317	2.8
195.07994	14.8
196.05107	8.0
196.08774	5.6
197.05930	26.1
197.09598	10.5
198.06670	4.5
199.03902	2.4
199.07507	5.4
200.04546	1.6
201.05479	1.7
203.08543	1.9
206.07266	4.2
207.04385	2.5
207.08046	11.0
207.10060	3.2
208.08728	1.8
209.05867	6.3
209.09596	2.3
210.06757	10.2
211.07509	21.9
212.04688	3.5
212.08220	2.7
213.05350	9.0
213.09120	4.2
214.06166	9.5
221.06052	4.5
221.09496	7.0
222.06490	1.6
223.07431	9.4
224.04706	3.1
224.08298	12.1
225.05437	26.3
225.09012	22.8
226.06113	9.7
226.09546	2.0
227.03513	2.0
227.07025	25.8
227.10542	14.2
228.07713	4.5
229.04903	14.5
229.08472	3.5
235.07515	9.1
235.13187	1.9
236.08058	2.0
237.05414	2.9
237.09033	2.4
238.06236	6.9
239.06947	16.3
239.10559	7.2
240.07784	2.1
241.04922	6.4
241.08577	3.4
242.05730	15.8
242.09404	2.8
243.06392	2.2
243.10139	2.4
249.09158	4.4
252.04349	1.9
252.07808	6.0
253.04988	8.1
253.08545	42.6
253.12108	6.3
254.05731	14.6
254.09224	2.2
255.06500	29.6
255.10135	13.3
256.07178	4.9
256.10571	1.4
257.08060	9.9
257.11685	5.9
263.07010	3.0
265.08755	1.4
267.06570	6.8
267.10101	8.8
269.08087	5.3
269.11655	1.8
270.05255	5.5
270.08740	10.9
271.09534	9.0
272.06732	6.9
272.10056	2.6
273.07391	1.9
281.08081	24.4
281.11676	4.1
282.08749	4.9
285.07565	89.6
285.11163	31.6
286.08020	4.3
287.12714	24.0
295.09763	2.4
298.07993	1.8
299.09100	41.2
299.12463	3.1
300.09576	2.8
303.12201	2.3
313.10745	66.8
313.14270	8.9
314.11002	3.3
316.08813	2.7
331.11713	100.0
331.15186	6.6
332.11942	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	330.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.01854	1.2
57.03418	2.2
57.57677	0.4
61.02929	0.6
69.03419	11.9
69.07058	4.6
69.90461	1.0
69.90866	1.9
70.06588	1.1
71.04979	1.4
73.02911	2.2
78.03439	11.4
80.05001	2.0
81.03407	18.6
85.02891	13.1
87.04450	0.5
91.05440	0.6
95.04929	0.9
96.04479	4.9
97.02875	6.0
97.06439	0.6
98.98452	81.9
99.04434	3.6
99.98879	0.5
100.98878	1.4
105.06972	0.7
106.02899	67.9
107.03233	1.0
109.02867	14.1
110.03207	0.7
112.07573	1.2
114.09980	0.5
116.98766	0.5
116.99485	2.9
121.02797	0.5
122.05952	0.8
123.04436	2.5
124.03936	100.0
125.02312	0.6
125.04288	1.7
127.03069	0.7
127.03909	9.0
137.05936	0.7
139.03877	1.3
140.07036	6.1
141.07362	0.5
145.04933	1.1
147.04259	1.1
148.07629	0.6
150.05519	0.7
150.09126	7.1
151.03877	0.8
162.06731	1.0
163.03845	0.8
166.04965	2.3
167.03455	0.7
168.03639	1.0
168.06531	12.8
168.10182	8.5
169.01350	1.1
174.99187	4.3
175.99591	1.1
176.98918	6.2
177.99214	0.6
196.06026	0.7
208.05957	0.5
208.97075	0.5
228.91953	0.4
232.06018	4.6
246.07520	0.5
250.07074	43.5
251.07483	1.4
252.99750	1.2
253.04999	0.7
253.99860	0.6
254.99380	0.6
268.08121	37.4
269.08411	1.7
313.06763	0.6
315.08533	1.0
330.11646	9.3
330.15485	2.4
331.12006	0.7
345.53198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01876	0.4
55.05503	2.2
57.07062	2.1
67.05495	3.5
69.03413	0.7
69.07058	7.7
71.04977	0.6
71.08620	0.8
78.01527	0.4
79.05501	1.6
79.79564	0.3
81.03408	0.8
81.07044	11.1
83.04940	0.6
83.08606	3.4
83.09057	0.6
85.02877	0.4
85.06528	1.9
87.08597	0.3
91.05466	1.8
93.07018	3.0
95.04965	0.8
95.08594	10.0
97.06505	0.5
97.10148	2.2
98.21512	0.8
98.98450	100.0
99.08076	2.3
100.98885	0.8
103.05455	0.5
105.07023	1.9
107.04947	1.0
107.08581	3.5
109.06499	0.5
109.10134	5.5
111.08089	0.7
111.11708	1.4
113.09658	0.6
116.99484	3.6
117.06981	0.6
119.08562	1.5
121.06463	0.9
121.10159	2.6
123.08013	0.4
123.11687	3.6
125.05994	0.5
125.09621	0.7
125.13242	0.8
128.06219	0.5
129.02002	0.4
129.07002	0.5
131.04895	0.7
131.08502	0.9
133.10124	0.9
135.11662	1.2
137.05942	2.5
137.13239	2.4
140.01042	1.9
143.08595	0.4
145.06442	0.5
145.10110	1.1
147.04366	0.4
147.08032	0.4
147.11693	0.4
149.05977	0.4
149.13216	2.1
151.03896	0.4
151.07494	1.0
151.14821	1.3
153.01878	0.5
155.08536	0.4
157.10109	0.7
159.11658	0.9
161.06013	0.5
161.09673	0.4
161.13255	0.6
163.03923	1.3
163.14795	0.6
165.05476	0.7
165.06929	0.4
165.16339	0.4
167.03410	1.2
167.06992	1.0
167.14262	1.0
171.11633	0.7
173.13206	0.6
174.99202	9.7
175.07574	2.1
176.98891	5.3
177.16389	0.5
179.17924	0.5
181.06522	0.9
181.08597	0.6
182.07262	0.6
183.08109	0.4
183.11687	0.4
187.11237	0.4
189.16379	0.4
191.14177	0.4
193.00435	0.4
195.08054	0.6
196.08676	0.4
197.05960	0.6
199.07564	1.2
199.11095	0.4
199.14822	0.5
208.05208	2.0
210.06705	0.6
211.03932	0.4
211.07506	2.5
213.09151	1.1
224.08313	0.5
225.05466	0.6
225.09065	0.7
226.06358	0.4
226.09824	2.8
227.07086	0.8
235.30171	0.4
236.04495	0.4
237.09134	0.4
239.07019	0.8
240.07790	0.4
241.08493	0.6
242.09373	0.9
243.06572	0.8
251.00024	1.0
251.07013	0.6
252.99673	2.2
254.05716	0.5
254.09386	0.8
255.06607	0.7
257.11664	4.5
258.12186	0.6
268.07297	1.3
269.08032	2.6
270.08829	1.0
271.06003	0.4
272.06741	0.5
275.27173	0.6
283.06143	0.5
283.09628	1.3
283.13083	0.4
285.11237	2.0
286.08408	0.5
287.09229	0.6
293.28299	2.0
297.07712	0.6
301.10623	2.7
302.11038	0.4
311.09042	1.2
311.12741	0.9
311.19952	0.4
311.29709	0.5
315.08569	5.3
329.06277	0.6
329.10162	7.8
329.13824	3.0
329.21130	2.4
329.24698	1.2
329.28195	0.6
330.10837	6.2
330.14288	0.7
330.21289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
53.99287	0.4
54.01088	0.4
55.05503	3.2
57.03414	0.5
57.07062	1.8
62.60784	0.4
65.03918	1.2
67.05491	5.2
67.29343	0.4
69.03408	0.8
69.07053	9.1
70.91235	1.0
71.08606	0.9
79.05472	1.9
81.06567	0.9
81.07042	16.4
83.04957	0.6
83.08601	4.7
85.02888	0.8
85.06530	1.4
91.05476	1.5
92.04987	2.8
93.07033	4.1
95.04958	0.7
95.08592	13.5
97.06472	0.6
97.10149	3.2
98.98449	100.0
99.08093	1.4
100.98863	1.5
105.07009	2.0
107.08572	4.4
109.02876	0.6
109.06492	0.6
109.10134	7.5
111.08038	0.8
111.11701	2.7
115.05428	0.5
116.99493	3.7
117.06946	0.4
119.08600	1.0
120.04466	0.5
121.06487	0.7
121.10159	2.9
122.06021	0.5
123.11674	5.0
124.07594	1.3
125.09651	0.6
125.13237	1.9
127.03899	0.5
129.07043	0.6
131.08553	0.8
133.10178	0.6
135.04404	0.6
135.11688	1.8
137.05916	2.9
137.13235	4.9
138.05458	2.4
139.11142	0.5
139.14815	0.5
140.01073	1.3
142.08615	6.6
145.06453	0.5
145.10144	1.1
147.04364	0.6
147.11659	0.8
149.05890	0.5
149.09650	0.9
149.13248	4.8
151.03906	0.6
151.07494	0.4
151.14783	1.2
159.11685	0.7
161.05986	1.3
163.03888	0.9
163.07529	0.7
163.14792	1.0
165.16368	0.9
167.03389	1.1
167.07002	0.7
167.14299	1.8
173.13277	0.7
174.99202	9.0
175.07463	1.1
175.99603	0.5
176.98869	5.6
177.09056	0.4
177.16454	0.6
179.17961	0.6
181.06419	0.5
181.08604	0.5
188.03389	9.0
193.06393	0.6
195.08086	0.6
198.06650	0.5
199.07520	0.8
206.04456	13.1
207.04877	0.5
208.05183	2.9
209.05992	0.5
211.07607	2.1
213.09052	0.7
219.21140	0.7
223.07462	0.7
225.05627	0.6
225.09134	0.8
226.09828	1.8
227.07010	1.3
236.04927	0.5
240.07726	0.6
241.08626	1.2
249.25955	0.7
250.06247	0.6
251.00075	0.8
251.07060	0.7
252.99652	2.3
254.05652	1.0
254.09395	1.0
257.11652	3.7
261.12241	1.3
267.06519	0.5
268.07391	1.2
269.08032	3.0
270.08820	1.0
271.06042	0.6
275.27277	1.2
279.10345	0.9
279.13312	0.5
283.09729	1.3
283.13116	0.6
285.07953	0.4
285.11212	1.8
286.08313	0.7
293.28348	3.1
297.11172	1.3
301.10553	2.7
311.09189	1.3
311.12674	0.6
315.08527	5.7
329.10223	6.0
329.13812	4.3
329.21228	1.5
329.24722	1.0
330.10883	5.6
330.14386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1379
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
53.03922	0.8
55.01855	0.8
55.05486	0.5
56.19518	0.5
58.94505	0.4
60.55444	0.4
67.05488	1.0
69.07080	0.5
69.38356	4.7
75.04475	0.6
79.05473	1.7
81.07024	1.3
86.75391	0.5
91.05470	2.4
93.07012	0.8
94.04166	0.9
94.97304	0.5
95.04964	1.3
95.08616	0.8
97.20088	0.5
98.20798	1.1
98.98454	44.9
107.04940	1.3
107.08585	0.6
109.06497	1.0
109.10132	0.7
116.99443	1.2
117.07020	1.2
121.02814	0.9
121.06514	0.9
122.03629	1.7
128.06221	0.7
131.04907	1.0
133.06422	1.2
135.04401	0.7
137.05951	1.9
145.06467	5.1
145.10135	0.6
147.04338	0.7
147.07983	0.6
151.03847	0.8
151.07521	7.4
152.06178	0.5
153.06990	1.1
155.07037	1.3
163.07518	0.6
165.05467	22.0
165.06848	1.8
165.09146	0.9
166.07745	0.5
167.03372	1.9
169.06422	0.9
171.08051	0.5
173.05975	1.3
174.99223	4.6
175.07465	0.7
176.98956	2.2
179.08481	1.0
181.06459	4.2
183.07980	1.0
184.08727	0.6
187.98413	0.6
191.08528	1.3
193.06471	0.7
193.10049	0.6
194.07237	1.5
195.08037	2.2
197.06000	2.6
197.09570	1.0
198.06546	0.8
199.07495	6.6
203.08557	0.7
207.08023	2.3
208.04993	0.6
208.08795	2.8
209.06149	1.1
209.09605	2.6
210.06700	1.9
211.07501	5.3
212.08192	1.6
218.07143	0.8
219.08008	2.1
220.08826	2.1
221.05981	1.5
221.09474	2.6
222.06674	3.0
222.10193	0.5
223.07567	5.5
223.11140	1.7
224.08284	3.4
225.05417	1.5
225.09090	6.0
226.09624	0.6
227.06938	2.8
234.10335	1.2
235.07405	2.7
235.11053	0.8
236.08269	4.9
237.05373	0.7
237.09091	10.1
238.06277	0.8
238.09650	1.2
239.07007	16.6
239.10475	2.7
240.07712	3.9
240.11418	0.6
241.08408	1.0
242.09294	1.3
247.07506	1.0
249.09036	1.1
250.09950	1.4
251.00256	0.6
251.06961	2.3
251.10620	6.4
252.11433	14.5
252.99719	1.0
253.04936	0.7
253.08417	2.6
254.05684	2.5
254.09302	1.7
255.06514	4.0
255.10144	2.4
265.08554	1.0
265.12204	1.6
267.06458	8.3
267.09668	0.9
267.10162	1.2
268.07254	7.6
268.10870	4.4
269.07950	1.0
269.11444	0.7
270.08829	16.0
280.10782	2.3
281.08072	1.3
283.09622	100.0
283.13235	62.1
284.09961	3.9
284.13638	2.8
285.10733	1.3
293.11624	1.6
295.09604	0.8
296.10303	2.0
297.11008	0.9
301.10956	1.0
301.14246	6.9
311.12738	61.4
312.13095	2.6
329.13779	69.6
330.10651	0.9
330.14154	2.3
349.63614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01855	5.1
55.05502	45.2
57.03426	2.4
59.04995	1.8
66.51301	1.4
67.05231	1.2
67.05500	14.6
69.03414	6.2
69.07056	19.2
71.06878	2.7
71.07217	1.7
79.05479	20.2
81.07043	14.8
83.04953	5.2
83.08603	33.8
85.06561	1.4
91.05464	16.3
92.05817	3.3
93.07034	9.4
95.04948	2.5
95.08567	7.6
97.06521	1.4
97.10156	69.5
98.98450	100.0
105.07016	12.0
107.04933	1.6
107.08574	67.4
109.06505	1.6
109.10141	2.1
110.35291	1.3
110.59993	1.2
111.08049	2.7
116.99480	2.2
117.06972	1.7
117.32081	1.3
119.04939	4.5
119.08562	7.6
120.05241	3.3
121.10124	2.2
122.03671	1.4
123.11662	1.3
124.11202	2.0
125.09610	56.5
131.08514	3.6
133.10117	7.8
135.08026	4.7
135.11624	2.6
137.05963	24.1
138.06293	15.1
143.10611	2.6
145.10115	5.2
147.11679	6.7
149.09590	3.0
151.07520	25.5
152.07861	23.6
153.09105	3.7
157.17644	1.3
159.11667	2.7
161.09653	1.8
161.13249	2.5
165.09067	2.3
166.09502	2.3
171.10118	6.9
171.11546	2.7
172.08351	3.0
174.99162	9.3
176.98909	4.4
181.12263	2.8
188.08310	2.4
189.08589	2.8
189.11185	92.4
190.11494	1.4
203.10762	6.4
204.11017	12.9
239.17926	2.3
250.99757	1.4
252.99715	2.0
257.18903	6.1
275.20013	75.3
276.20450	3.0
278.63821	1.5
293.21054	11.1
328.16095	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	328.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01860	0.7
55.05503	4.0
57.03418	1.3
65.03928	0.3
67.05163	0.5
67.05499	6.7
67.15668	0.4
67.75249	0.3
69.03418	0.9
69.07059	6.2
71.04978	0.8
71.62701	0.5
71.63098	0.4
79.05484	6.0
80.97330	0.4
81.03397	1.4
81.07041	10.0
83.04967	1.3
83.08605	2.3
85.06537	0.9
90.65116	0.4
91.05475	4.7
93.07027	5.3
95.04929	2.0
95.08607	5.1
96.25489	0.4
97.06517	1.6
97.10189	1.7
98.09726	0.5
98.98455	100.0
99.08072	0.5
99.98869	0.3
100.98897	0.5
105.07019	4.1
107.04951	0.7
107.08585	4.6
109.06498	1.4
109.10149	2.0
111.08047	0.9
116.99500	3.8
117.07029	1.3
119.08564	3.3
121.06445	0.4
121.10107	2.5
123.08054	1.4
123.11702	1.3
125.09628	1.0
129.07011	0.6
131.08563	1.4
133.06511	0.5
133.10123	3.0
135.07982	0.4
135.11664	2.9
137.05975	0.6
137.09589	0.9
138.06271	0.4
140.01089	2.0
143.08522	0.6
145.10123	1.4
147.08092	0.4
147.11649	2.1
149.09604	1.1
149.13277	1.5
151.07552	0.6
157.10135	0.5
159.11697	1.5
161.13202	0.5
163.11232	0.9
173.13220	0.6
174.97688	0.5
174.99213	10.8
175.99536	0.6
176.98903	4.6
177.12804	0.6
181.12218	3.2
183.11572	0.4
189.09653	0.4
189.11201	2.4
190.30023	0.4
193.12305	0.5
195.13716	2.1
216.01939	0.4
247.20619	0.3
251.00066	1.0
251.48114	0.4
252.99638	2.4
257.19043	0.8
258.04858	1.0
275.20050	6.0
275.22833	0.7
286.04352	0.4
293.21100	1.5
310.30991	0.5
328.08948	1.4
328.27075	0.5
329.21198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01860	0.7
55.05503	4.0
57.03418	1.3
65.03928	0.3
67.05163	0.5
67.05499	6.7
67.15668	0.4
67.75249	0.3
69.03418	0.9
69.07059	6.2
71.04978	0.8
71.62701	0.5
71.63098	0.4
79.05484	6.0
80.97330	0.4
81.03397	1.4
81.07041	10.0
83.04967	1.3
83.08605	2.3
85.06537	0.9
90.65116	0.4
91.05475	4.7
93.07027	5.3
95.04929	2.0
95.08607	5.1
96.25489	0.4
97.06517	1.6
97.10189	1.7
98.09726	0.5
98.98455	100.0
99.08072	0.5
99.98869	0.3
100.98897	0.5
105.07019	4.1
107.04951	0.7
107.08585	4.6
109.06498	1.4
109.10149	2.0
111.08047	0.9
116.99500	3.8
117.07029	1.3
119.08564	3.3
121.06445	0.4
121.10107	2.5
123.08054	1.4
123.11702	1.3
125.09628	1.0
129.07011	0.6
131.08563	1.4
133.06511	0.5
133.10123	3.0
135.07982	0.4
135.11664	2.9
137.05975	0.6
137.09589	0.9
138.06271	0.4
140.01089	2.0
143.08522	0.6
145.10123	1.4
147.08092	0.4
147.11649	2.1
149.09604	1.1
149.13277	1.5
151.07552	0.6
157.10135	0.5
159.11697	1.5
161.13202	0.5
163.11232	0.9
173.13220	0.6
174.97688	0.5
174.99213	10.8
175.99536	0.6
176.98903	4.6
177.12804	0.6
181.12218	3.2
183.11572	0.4
189.09653	0.4
189.11201	2.4
190.30023	0.4
193.12305	0.5
195.13716	2.1
216.01939	0.4
247.20619	0.3
251.00066	1.0
251.48114	0.4
252.99638	2.4
257.19043	0.8
258.04858	1.0
275.20050	6.0
275.22833	0.7
286.04352	0.4
293.21100	1.5
310.30991	0.5
328.08948	1.4
328.27075	0.5
329.21198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01863	0.4
57.03422	1.1
57.06240	0.3
57.07069	2.8
58.48603	0.3
59.04989	3.3
61.02911	0.7
64.31479	0.3
65.03923	0.3
67.05495	3.1
69.03417	2.0
70.04408	1.4
71.04987	1.6
73.02898	0.6
81.03398	1.3
84.82032	0.4
85.02898	3.9
85.06538	9.4
87.03218	0.4
87.04423	0.3
89.06023	1.4
91.05476	1.0
93.07021	0.7
95.04954	4.7
97.02874	2.3
98.98454	100.0
99.04446	1.1
100.98868	0.6
103.03946	0.3
103.05442	1.0
103.07569	26.8
107.04913	0.5
109.02875	1.3
113.05992	8.5
116.99485	3.5
118.49577	0.3
120.08092	22.7
121.08434	0.3
124.03913	0.4
125.89742	0.3
127.03909	2.0
130.06558	0.4
131.04945	0.4
131.07027	13.5
132.08095	1.7
138.05467	0.3
140.01100	0.5
140.75716	0.4
144.08076	0.4
145.04958	1.1
148.07579	0.5
149.08075	32.5
150.08459	0.3
153.01782	0.6
166.05060	0.5
166.08597	3.5
167.28133	0.3
174.99213	12.0
175.99614	1.3
176.98895	4.4
178.08606	0.5
180.08733	0.4
184.05974	0.6
251.00040	1.4
252.00415	0.5
252.99640	2.0
264.12326	0.7
284.23056	0.5
292.11780	2.1
310.12820	4.2
311.13022	0.4
328.13889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19629	0.5
52.95789	0.5
53.80568	0.5
55.01869	0.6
57.03430	1.8
61.02916	0.7
65.32998	0.6
69.03419	2.6
70.79965	1.8
71.04985	23.4
73.02892	0.7
75.74178	0.6
81.03407	1.4
85.02895	8.0
89.06021	90.4
90.06318	0.7
97.02891	2.8
98.98454	100.0
99.04436	5.7
100.98891	0.6
103.07503	0.8
113.05996	1.5
116.99493	3.3
117.05455	2.2
127.03872	0.9
131.07025	12.9
145.04930	1.1
149.08075	56.7
150.03413	0.6
167.03389	0.9
174.99213	8.6
175.99548	0.8
176.98958	3.2
184.74890	0.6
194.01524	0.6
221.74493	0.6
251.00069	0.6
252.99609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01865	0.7
55.05486	0.5
56.96554	0.7
57.03428	1.3
57.32461	0.3
59.04991	1.1
61.02903	0.5
64.62542	0.3
65.65646	0.3
69.03420	5.4
69.24387	0.4
69.34238	0.4
69.34553	4.1
71.04994	2.0
72.04478	0.5
72.08141	0.4
73.02905	1.2
79.05477	0.7
81.03400	2.4
81.07053	0.5
83.04955	0.6
85.02897	5.0
85.06522	0.7
87.03193	2.3
87.04445	1.4
89.06007	3.7
91.03937	0.4
91.05466	4.0
93.07050	1.1
95.04952	0.5
96.04527	0.4
97.02869	6.3
98.98450	100.0
99.04434	2.2
101.05976	0.4
102.51761	0.4
103.03943	0.7
103.05450	5.2
103.07566	2.5
105.05473	0.8
105.07027	2.7
107.04958	1.1
109.02865	2.4
112.03941	2.6
113.05984	0.9
116.99487	4.1
117.05520	1.3
117.06971	0.6
120.08088	58.8
121.08433	0.9
124.03972	0.6
124.08697	0.6
127.03900	4.5
127.04772	0.5
129.05515	0.4
129.07001	0.5
130.06511	1.7
131.04900	1.3
131.06189	0.5
131.07004	2.8
132.08072	11.7
134.09668	0.6
140.01057	0.8
143.05746	1.5
143.74388	0.4
144.08067	1.9
145.04938	0.9
146.09689	0.4
148.07552	0.6
148.11182	0.8
149.06009	0.4
149.08073	6.1
150.05487	0.7
153.01842	1.3
156.08075	0.8
161.06834	1.4
162.09145	1.5
164.05676	0.5
166.07216	1.3
166.08586	8.9
166.12259	0.6
167.03377	0.9
167.07074	0.4
167.09053	0.4
173.04634	0.4
174.99205	9.7
175.99545	0.8
176.98930	3.5
178.08624	2.5
180.08786	1.3
186.09108	0.6
190.08551	0.7
198.07445	0.5
198.09183	1.1
202.08662	0.8
202.10686	0.4
207.06512	0.5
216.10146	0.6
228.10130	0.4
244.09718	1.0
246.11227	2.2
251.00008	0.8
252.99771	1.8
264.12259	9.2
265.12640	0.6
269.10129	0.4
282.13333	1.1
292.11746	12.2
293.12207	0.8
310.12793	30.6
311.13113	0.9
328.13828	3.0
328.18079	1.1
329.12708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87936	0.9
53.03932	1.2
55.01861	3.2
55.05506	14.2
55.14510	0.9
57.03429	1.5
57.07066	11.0
59.04988	2.0
61.74606	1.0
67.05493	22.9
69.03407	2.7
69.07060	51.4
69.44193	7.7
70.07387	1.2
71.04978	4.2
71.08626	5.8
79.05481	10.6
81.03411	1.8
81.07047	100.0
82.07371	1.7
83.04955	2.0
83.08607	21.0
84.08898	1.0
85.02905	1.1
85.06532	15.5
85.10172	2.8
89.49199	0.9
91.05457	8.6
93.07033	26.1
95.04951	2.5
95.08595	68.2
96.08939	1.3
97.06538	7.0
97.10174	8.8
98.98454	98.6
99.08064	6.9
103.05428	1.4
105.07017	12.4
107.08581	28.9
109.02863	1.0
109.06514	2.5
109.10139	39.3
111.08067	18.0
111.11701	11.3
113.09618	2.8
115.05441	1.1
116.99512	2.4
119.04951	1.0
119.08571	8.2
121.06483	1.1
121.10125	20.8
123.08095	1.6
123.11697	34.9
124.12083	1.2
125.09644	2.1
125.13254	2.8
127.03903	1.4
128.06078	1.0
131.04872	2.1
131.08632	1.3
133.06459	1.7
133.10104	4.0
135.08034	1.2
135.11687	14.4
137.05966	16.7
137.09622	1.4
137.13226	22.4
137.14207	1.4
139.11143	4.8
145.10104	1.5
147.08020	1.5
147.11664	9.1
148.11969	1.0
149.05952	1.2
149.13240	18.9
151.03883	2.0
151.07536	3.8
151.11169	1.3
151.14810	4.0
153.12695	10.7
155.14322	5.3
161.13251	3.4
163.07596	2.3
163.14775	8.1
165.09123	1.6
165.12732	9.6
165.16431	1.4
167.08618	0.9
167.14336	2.8
170.85387	0.9
171.11699	0.9
171.13805	2.6
174.99213	15.1
175.07521	1.4
175.14803	1.8
177.16351	4.5
178.07750	1.3
179.08598	1.2
179.17949	2.6
181.06476	1.0
183.13794	2.7
189.07057	1.1
189.16351	1.9
191.17918	3.8
193.19472	1.2
201.14844	2.2
203.10672	1.8
203.17938	2.2
205.19475	2.3
207.08055	2.6
209.19063	1.5
217.19551	4.3
223.07527	1.6
224.08170	1.5
234.06761	2.6
235.07448	4.2
237.09052	1.2
249.09041	4.9
251.00024	3.3
253.08714	1.4
261.25739	2.8
266.09384	1.3
267.10080	3.2
273.25735	4.4
277.08606	7.5
279.26801	3.7
283.09653	1.8
291.19800	1.2
291.26773	12.7
295.09656	3.4
296.10342	1.5
299.12759	2.6
309.11267	1.3
309.28009	6.3
309.31042	1.2
327.12210	17.7
327.15680	1.6
327.19470	0.9
327.23239	2.9
327.29102	1.5
328.12631	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01865	2.9
55.05507	16.7
57.07060	11.2
59.04984	3.2
67.05494	25.7
69.03413	3.4
69.07058	50.8
70.03254	6.6
70.03675	4.2
71.04970	7.3
71.08618	6.9
73.06526	2.3
77.42284	1.9
79.05489	10.9
81.03402	2.8
81.07048	100.0
83.08610	16.1
83.62182	1.8
85.06536	15.6
85.10159	2.5
91.05456	6.4
91.75178	2.0
93.07018	26.3
93.69872	1.9
95.04940	4.3
95.08593	69.8
97.06509	7.6
97.10148	7.0
98.20676	1.9
98.98454	100.0
99.08080	10.2
103.05479	2.0
105.07020	16.2
107.08586	26.2
109.06509	3.6
109.10142	36.0
111.08076	22.4
111.11667	8.6
113.09631	2.5
119.08592	9.9
121.10141	18.4
122.10543	2.1
123.08089	2.1
123.11701	30.0
125.09601	3.2
125.13270	2.6
133.06474	2.5
133.10168	2.6
135.11688	17.6
137.05949	11.0
137.13255	20.0
138.37250	2.0
139.11192	4.5
147.11665	14.9
149.13260	16.5
151.03929	3.0
151.07516	2.3
153.12738	11.6
155.14304	5.5
161.13271	3.8
163.07610	1.8
163.14807	7.3
165.12714	11.3
171.13771	2.8
174.99191	13.8
175.07545	3.2
175.14832	2.4
177.16376	4.6
183.13713	3.5
189.07002	2.4
201.14809	3.1
206.07098	2.2
207.08066	2.3
235.07510	3.2
235.20538	1.9
250.99995	4.2
253.08542	2.9
261.25739	2.2
267.10144	3.3
273.25732	4.0
277.08487	6.6
279.26758	3.0
291.26804	12.7
295.09637	2.8
299.12753	4.9
305.79568	2.2
309.27817	12.9
321.76160	2.0
327.12265	24.8
328.12546	3.5
343.62036	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01864	2.3
55.05507	12.9
57.03421	1.9
57.07067	11.7
58.33563	1.4
59.04992	2.7
67.05495	21.7
69.03407	6.9
69.07059	47.3
70.93352	3.8
71.04982	4.5
71.08616	6.3
79.05485	13.2
81.03378	1.5
81.07044	100.0
82.07384	3.6
83.04963	3.8
83.08613	18.0
85.06530	16.9
91.05473	8.8
93.07035	29.9
95.04942	3.3
95.08592	69.0
96.08922	2.5
97.06521	6.2
97.10155	6.0
98.98453	88.5
99.08062	11.4
103.05484	2.9
105.07006	13.7
107.04945	2.0
107.08582	30.8
109.06499	3.0
109.10143	36.2
111.08075	16.1
111.11720	8.4
114.09678	1.6
116.99519	2.6
119.04924	1.7
119.08546	8.4
121.06530	2.2
121.10128	20.7
122.03583	3.3
123.04362	2.3
123.08043	1.5
123.11691	37.5
125.13268	2.1
127.11204	1.8
131.04929	4.2
133.06410	1.6
133.10118	3.7
135.08093	2.3
135.11687	15.3
137.05963	18.3
137.09589	1.9
137.13234	20.1
139.11162	3.5
141.12785	1.6
145.06464	2.2
145.10150	1.8
147.04407	4.3
147.11685	7.8
149.05975	2.1
149.13239	18.6
151.03903	3.7
151.07507	2.4
151.14786	4.0
152.04750	1.6
152.80841	1.8
153.05505	2.7
153.12697	8.0
155.14301	3.8
158.03552	1.5
161.05936	2.9
161.13226	3.3
162.06683	2.4
163.07559	3.7
163.14813	11.3
165.12730	5.9
167.07025	11.3
167.14281	4.3
171.13782	2.2
173.05986	4.1
174.99200	18.3
175.07549	2.7
175.14798	2.7
177.05519	3.2
177.09018	1.9
177.16357	5.4
179.05138	1.6
179.06946	1.9
179.08482	2.6
179.17986	1.8
181.75571	1.8
188.52551	1.5
191.07010	3.1
191.17851	3.1
193.08569	2.8
203.10812	2.3
205.19499	2.9
207.06430	1.8
217.19508	2.2
223.07538	2.1
223.09598	3.2
235.07520	2.0
235.09589	1.8
240.07584	2.2
249.09013	2.3
250.99995	2.5
253.08409	2.0
261.26096	1.4
267.10068	3.2
269.08096	1.4
273.25745	5.2
277.08597	3.5
279.26663	2.1
291.26779	11.3
295.09680	4.0
299.12820	1.9
309.11221	3.4
309.27890	7.3
327.08371	2.9
327.12204	34.5
328.12802	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	327.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01859	3.3
55.05505	17.0
57.03424	1.8
57.07071	11.1
59.04976	2.4
62.31706	1.1
67.05163	1.7
67.05497	23.3
69.03419	3.4
69.07059	51.0
70.93903	2.2
70.94258	1.7
71.04971	3.9
71.08615	7.0
73.06550	2.0
79.05488	14.3
79.42040	1.0
81.03400	1.4
81.07046	96.1
81.93423	0.9
82.07362	1.1
83.04972	1.8
83.08606	18.2
85.02883	1.4
85.06532	15.1
85.10156	1.9
87.45621	1.0
89.06014	0.9
91.05466	7.5
93.07034	30.6
93.07616	1.6
95.04948	2.5
95.08596	63.2
97.06515	8.4
97.10168	5.5
98.98454	100.0
99.08076	8.9
103.05435	1.9
105.07018	13.2
107.04977	1.1
107.08584	28.0
109.06531	3.5
109.10144	34.4
111.07357	1.6
111.08073	20.0
111.11728	7.4
111.12385	1.5
115.05398	1.6
116.99495	2.3
119.08592	8.2
121.06464	1.2
121.10130	18.1
122.03699	1.0
123.11694	31.4
124.12059	1.3
125.09672	2.0
125.13205	1.3
127.03944	1.3
133.06485	1.6
133.10120	4.4
135.11673	15.8
137.05962	11.4
137.09579	2.2
137.13240	22.1
139.11142	4.2
145.06496	1.7
145.10121	2.0
147.04318	1.5
147.11685	9.0
149.05977	1.1
149.13239	17.0
151.03873	2.4
151.07512	2.5
151.11179	1.1
151.14798	3.5
153.05539	0.9
153.12735	10.1
154.16911	0.9
155.14304	5.7
161.05946	1.5
161.13264	4.0
162.06679	1.3
163.07539	2.0
163.14816	7.9
165.09105	1.7
165.12755	8.9
165.16432	1.7
167.07056	5.0
167.14287	1.9
171.13818	2.8
174.99205	15.9
175.07449	2.5
175.14815	1.7
177.05382	1.3
177.16370	3.3
178.07750	2.2
179.14276	1.1
183.13768	3.7
189.16364	1.8
191.17934	2.9
193.08461	1.1
193.15709	1.5
201.14899	2.1
203.06992	1.3
203.10565	1.6
203.17969	1.7
207.08119	2.6
217.19476	3.8
221.06001	1.5
234.06656	1.1
235.07509	2.8
249.09146	1.4
251.00003	2.9
251.06944	1.4
252.07637	1.3
267.10114	2.3
273.25681	3.5
276.14807	1.0
277.08524	2.6
279.26791	1.8
281.11658	1.5
291.23782	2.0
291.26746	10.6
295.09619	4.2
297.11575	1.6
309.27734	6.2
327.12158	18.2
328.12668	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76412	1.1
53.03924	3.6
55.05501	8.2
57.03420	2.1
57.07055	3.0
59.04975	1.7
60.71688	1.1
65.03928	2.2
67.05177	1.6
67.05499	20.0
69.03415	1.8
69.07060	10.0
71.04962	1.6
71.54012	2.2
73.69376	1.1
77.03928	1.5
79.05483	12.0
81.03395	2.2
81.07048	22.4
83.04948	2.2
83.08583	4.5
85.06523	2.3
91.05467	21.2
93.07030	47.4
95.04961	51.6
95.08598	33.3
95.09171	0.9
97.06518	14.0
98.98455	100.0
102.00806	1.2
103.05463	6.6
105.07021	35.5
107.04909	1.8
107.08580	25.6
109.06488	9.1
109.10147	14.7
115.05425	3.3
116.99483	3.2
117.07021	10.2
119.08575	39.5
121.06477	9.1
121.10130	21.0
123.08040	8.1
123.11655	5.7
123.12470	1.2
128.06209	7.2
129.06984	5.0
130.07751	4.5
131.04904	2.4
131.08560	19.3
133.06480	2.3
133.09120	1.6
133.10110	27.3
135.08020	5.7
135.11687	8.6
137.05962	8.6
137.09576	3.8
139.11136	1.5
141.07013	2.9
142.07722	6.5
143.08543	15.6
144.09320	2.2
145.06450	3.1
145.10112	24.3
147.08031	2.9
147.11662	7.5
149.09547	3.2
149.13220	3.2
149.14401	1.3
151.07455	3.1
152.06198	10.5
153.06969	8.6
155.08511	4.7
156.09305	4.5
157.10104	22.9
158.10870	2.9
159.08005	2.3
159.10420	2.3
159.11673	25.1
161.09610	8.6
161.13223	4.2
163.07468	2.4
163.11121	1.7
167.08511	3.3
168.05676	3.2
169.10091	7.6
170.10831	2.0
170.92775	1.3
171.08084	6.1
171.11668	9.4
172.12421	2.4
173.09550	1.6
173.13234	10.5
174.99196	14.1
175.11122	2.4
175.14821	10.8
177.09117	1.4
179.08493	2.4
182.10814	2.5
183.11728	7.1
185.13251	5.5
187.11131	5.8
187.14824	7.9
188.08269	4.0
189.12825	2.0
189.16422	2.3
193.10045	1.5
194.10780	1.4
195.11676	3.0
196.12431	2.2
197.13210	5.0
199.14703	6.4
203.10675	7.0
205.15843	1.4
207.11615	1.4
209.13196	5.8
211.14781	4.5
213.16359	3.0
215.14363	1.9
217.15829	4.8
221.13171	1.7
223.14748	2.2
225.16356	3.9
226.44743	1.3
228.09320	2.5
229.09955	1.4
229.15933	1.3
233.03564	12.3
235.14774	2.2
239.17981	2.0
251.00084	2.8
251.04666	4.5
251.17902	1.5
253.15756	2.4
257.04437	3.1
281.22644	1.5
287.21945	1.3
291.21088	2.3
309.22067	4.3
327.07828	45.7
327.15894	4.9
327.23166	11.4
328.08124	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1584
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03943	0.6
53.32345	0.4
55.01862	1.4
55.05499	2.2
55.21231	0.4
57.03431	0.7
57.07069	0.9
67.05495	4.9
69.03428	1.9
69.07059	4.6
71.04995	0.7
71.08618	0.5
71.62029	0.6
71.62432	0.4
75.42166	0.5
77.01602	0.5
77.03910	0.6
79.05478	4.2
81.03396	2.3
81.07042	12.5
81.07513	0.8
81.25836	0.3
83.04969	1.1
83.08614	1.3
85.02897	1.5
85.06519	1.2
91.05460	5.2
93.07026	5.9
94.04171	1.7
95.04942	1.5
95.08597	8.9
97.02882	0.9
97.06529	0.8
97.10168	0.9
98.98450	80.1
99.04451	0.6
99.08057	0.7
103.05450	14.3
105.03390	0.5
105.07013	8.5
107.04945	3.1
107.08582	4.4
109.02856	1.3
109.06506	3.2
109.10135	8.7
111.04457	0.7
111.08039	1.2
111.11642	0.4
114.85324	0.4
115.05426	2.0
116.99446	2.5
117.07020	2.4
117.71084	0.4
119.04916	2.3
119.08558	3.2
121.06499	6.1
121.10133	2.8
121.98090	0.3
122.03622	7.2
123.04408	1.1
123.08053	1.7
123.11684	3.8
125.05960	0.7
125.09577	0.6
125.13251	0.5
127.03944	1.9
128.06190	0.6
129.06992	1.6
131.04910	18.2
133.02786	0.6
133.06468	26.5
133.10109	0.8
134.06819	0.7
135.08032	9.3
135.11658	1.5
137.05954	100.0
137.09448	1.8
137.13228	1.7
138.06276	2.6
139.11133	0.5
140.01036	0.4
143.04927	2.3
143.08508	1.0
145.06473	7.5
145.10251	0.5
147.04367	1.3
147.08046	3.0
147.11636	1.8
149.05972	2.0
149.13242	2.5
151.03900	3.1
151.07510	11.6
151.14761	0.5
152.06134	0.5
153.12701	0.7
157.06476	2.9
159.08087	0.6
159.11765	0.6
160.05179	0.9
161.05943	1.3
161.13199	0.7
162.06764	1.2
163.07516	48.0
163.14771	1.1
164.07855	1.0
165.05519	0.8
165.06955	1.0
165.09045	2.5
165.12701	2.5
167.07050	0.6
169.06509	0.5
171.08014	1.8
173.05923	0.7
174.06735	0.5
174.99190	11.1
175.07527	5.6
177.05435	0.6
177.09052	3.8
177.16335	0.5
178.07764	1.1
179.08514	1.3
181.06404	0.5
183.13910	0.5
187.07541	1.9
188.08244	1.0
189.07077	0.9
189.09071	2.4
189.12782	0.6
191.08688	0.7
191.17902	0.5
194.07188	0.7
195.08087	0.9
202.07759	0.9
203.06979	1.4
203.10611	2.6
205.06450	0.4
206.07245	2.1
207.08051	3.4
207.13680	0.5
209.06081	0.6
211.07629	0.5
217.06445	0.9
217.19521	0.5
218.07201	0.6
219.07997	0.6
220.08749	1.3
221.06104	0.4
221.09578	0.8
222.06735	0.8
223.07491	1.2
224.08353	0.8
225.09024	1.2
234.06737	3.7
235.07542	3.6
235.11154	1.7
236.08092	0.5
237.02806	0.5
237.05408	0.5
237.09038	1.3
239.07040	0.8
239.10651	0.6
240.07681	0.8
245.09598	1.3
248.08488	0.7
249.09093	3.8
250.99966	3.0
251.06993	1.6
252.07802	1.4
253.08510	1.2
262.06152	0.8
263.07031	1.4
263.10593	3.5
264.07605	0.6
265.08484	1.5
266.09305	1.2
267.10065	2.9
268.07324	0.8
269.07913	0.7
273.25769	0.5
277.08536	8.9
278.09265	0.8
279.06586	0.5
280.07211	0.5
281.11728	0.5
283.09689	2.0
284.10272	0.9
291.26761	1.6
294.08871	0.5
295.05972	0.5
295.09607	4.9
295.13239	12.1
296.10187	1.1
296.13449	0.7
297.07889	0.6
297.11136	1.5
299.12711	3.0
309.10916	3.2
309.16809	0.6
309.27872	1.1
312.09937	0.7
327.08859	0.9
327.12149	18.3
327.15860	12.8
327.28906	0.5
328.12494	1.1
328.16174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1584
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
55.05507	0.9
63.65923	0.4
64.63335	0.4
65.03924	0.5
69.07056	0.5
69.98660	2.6
79.05466	1.2
81.07048	1.6
91.05470	18.8
93.07025	0.8
94.04162	1.3
95.04969	3.2
95.08568	1.2
98.21390	0.7
98.98454	47.1
105.07032	1.7
107.04971	0.5
107.08571	0.8
109.06505	1.0
116.99483	1.8
119.04085	0.9
119.04925	16.8
121.10078	0.7
122.03642	3.9
125.09580	0.6
128.06261	0.7
131.40874	0.5
133.06490	1.1
136.05211	1.6
137.05960	79.0
138.06308	2.1
143.08551	7.5
151.07524	100.0
152.07870	2.3
160.08815	0.7
165.09087	9.8
171.08038	6.5
172.08801	1.4
173.05988	1.2
174.99239	7.7
175.11208	0.5
188.08289	11.1
189.09134	0.6
189.11201	1.5
203.10646	41.6
204.10966	1.8
225.09148	0.6
251.00018	1.5
254.48358	0.5
255.20769	0.4
275.19882	1.1
283.09686	0.8
284.10480	0.8
295.13058	1.0
298.12070	0.7
327.15863	25.8
328.16177	1.8
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
50.75814	0.4
53.03933	0.7
53.25072	0.4
55.05502	2.0
56.05019	0.8
57.03428	0.8
58.34080	0.4
60.04478	0.4
67.05472	1.4
68.04981	1.0
69.03411	1.5
69.07049	2.0
70.06569	0.5
71.04968	0.7
71.16936	1.3
74.22818	0.5
79.05485	2.9
80.05006	1.3
81.03399	2.3
81.07026	3.7
82.06564	0.6
83.08614	0.7
83.53749	0.4
84.04491	6.6
85.02888	9.7
85.03358	0.8
87.04529	0.4
91.05447	2.5
93.07027	5.8
94.06550	0.8
95.04980	0.6
95.08576	2.4
96.04482	0.4
97.06502	0.8
98.06054	0.6
98.98450	82.1
100.11229	0.5
102.05515	1.0
103.05460	0.8
105.06993	1.5
107.04919	0.5
107.08573	3.5
108.08104	21.1
109.02880	0.8
109.06478	0.8
109.08919	0.9
109.10133	1.2
109.32149	0.5
110.09666	2.0
111.04456	0.8
114.05505	1.6
116.99497	3.2
119.08538	2.1
120.08892	0.6
121.06491	0.5
121.10088	0.6
122.09648	11.1
123.04483	0.5
123.08037	0.6
123.10413	1.7
123.11710	0.5
127.03846	1.0
130.04948	0.5
131.03381	1.0
131.04907	0.9
133.06491	0.6
133.10110	1.3
134.09624	0.9
135.11688	5.7
136.07596	2.3
136.11189	3.4
137.05984	4.2
137.09621	0.9
137.13203	0.6
140.01050	0.5
140.03415	0.6
140.10666	0.7
142.04987	0.5
142.12238	0.8
147.04353	0.7
150.12750	24.3
151.03877	1.4
151.07520	0.8
151.13553	8.9
152.14328	8.3
153.15054	0.6
161.06018	0.8
161.13220	0.7
163.03925	0.9
163.07538	2.0
164.04240	0.9
164.07019	2.7
164.10716	0.6
165.09106	0.6
166.08621	0.6
168.10178	0.6
174.99214	12.2
179.14299	0.6
190.15875	1.5
208.13312	1.5
210.07594	1.8
228.08481	0.7
228.12296	0.9
236.16452	1.9
238.10690	0.7
250.99959	2.6
252.12230	2.1
253.13124	0.7
264.15854	1.3
265.08698	0.5
269.18607	0.5
280.09500	0.8
280.15506	0.8
282.16959	100.0
283.17291	2.6
284.18509	2.9
314.78088	0.5
319.79010	0.5
326.11261	1.7
326.19568	82.0
327.12177	1.5
327.16214	0.5
327.19907	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	37.3
57.07068	100.0
67.05494	14.0
69.07059	73.6
71.04958	3.8
71.08621	78.2
71.50381	3.6
73.45940	2.7
79.05490	7.7
81.07056	26.3
83.08606	37.0
85.10164	43.4
93.07034	19.4
95.08601	35.0
97.06516	22.9
97.10169	24.0
99.11705	6.2
101.05969	4.0
105.07018	3.7
107.08581	20.5
109.07573	3.0
109.10161	16.1
111.08096	15.8
111.11719	8.1
113.13273	3.2
115.07528	6.6
121.10146	18.7
123.11696	7.1
125.09618	13.6
129.09108	5.7
135.11688	16.0
139.11147	18.6
143.10687	8.4
145.10211	4.2
149.13237	11.7
153.12759	10.1
157.12228	5.7
163.14815	11.6
167.14313	6.0
171.13797	5.2
177.16374	7.9
181.15833	6.5
185.15334	5.2
191.17921	6.1
195.17500	5.8
199.16957	5.3
205.19429	5.6
213.18436	3.2
223.20535	3.5
232.67256	3.3
289.28778	6.1
307.29919	6.0
325.18503	3.5
326.34097	7.7
335.74442	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	326.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	3.6
69.03405	3.2
70.59751	3.5
70.60143	4.4
73.02910	3.9
81.03396	2.0
85.02898	4.5
89.32684	1.6
97.02870	6.3
98.20856	2.2
98.21395	2.1
98.97589	5.0
98.98453	39.1
101.00856	4.6
116.98618	4.0
119.01905	14.9
134.99745	3.4
137.02968	2.8
137.52045	1.9
145.00775	1.9
145.03441	6.8
156.97440	2.5
159.06079	2.4
159.49904	2.8
159.99780	4.3
168.50421	3.7
169.00346	3.6
171.01439	2.1
173.00586	3.2
174.99219	5.5
177.00954	18.0
178.01085	2.8
180.00281	1.9
180.50531	1.9
185.07689	2.1
187.01953	2.5
189.51047	2.4
194.01180	3.3
198.10913	2.5
200.98245	4.5
201.00957	2.6
203.50658	3.8
204.00609	3.0
204.50662	2.9
215.50995	3.1
216.00639	2.3
216.17279	1.7
217.04051	2.0
219.01978	31.8
220.02046	3.3
224.00006	4.2
225.01141	3.4
226.00543	2.2
229.00198	2.3
229.50800	2.6
230.00165	3.7
236.01451	2.1
236.50656	2.0
241.50272	2.1
242.09811	3.2
242.99344	5.0
243.01994	7.4
244.99100	3.4
251.00320	4.3
254.99471	3.2
255.08148	2.5
256.31509	2.5
257.02560	3.0
260.00125	3.3
260.97598	4.0
261.03049	100.0
262.03223	10.8
263.02924	2.3
272.50668	2.2
273.00208	3.7
273.96265	2.1
279.00604	2.2
281.51016	4.4
282.00940	5.3
284.00244	3.4
284.04526	3.8
284.99777	3.4
289.99005	2.3
290.98550	2.6
293.50797	4.0
294.00430	3.9
302.01370	3.9
302.98065	4.3
303.01251	3.5
308.03644	2.1
326.11905	20.3
344.02539	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2733
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.48264	1.2
55.01856	2.3
55.05502	14.8
57.03426	2.0
57.07066	9.9
65.03892	1.6
67.05497	29.9
69.03415	7.3
69.07059	50.8
69.73856	2.6
69.74268	7.9
71.04956	4.4
71.08607	5.2
73.06566	1.3
79.05487	19.2
81.07047	84.5
83.04968	3.4
83.08612	21.0
85.02882	2.0
85.06528	4.5
91.05476	17.4
93.06458	3.0
93.07033	46.6
95.04945	6.6
95.08597	100.0
97.06499	2.7
97.10165	12.7
98.20748	3.0
99.08083	2.2
103.05417	3.4
105.07022	27.7
107.04955	1.5
107.08583	36.6
109.02883	2.2
109.06500	4.7
109.10143	57.1
111.04420	1.4
111.08070	6.3
111.11716	11.0
111.79636	1.4
112.96964	1.5
115.05422	2.1
117.07000	5.0
119.08582	20.8
121.06498	4.9
121.10126	30.0
123.08029	3.7
123.11690	36.5
125.09630	3.1
125.13264	6.8
127.07586	1.7
129.06956	2.3
131.04987	1.6
131.08545	6.9
133.10121	24.1
135.07985	2.1
135.11687	25.5
137.05931	4.0
137.09601	19.6
137.13249	13.5
139.11200	9.3
145.06438	4.3
145.10097	8.5
147.11679	21.8
149.13249	18.6
151.07536	2.0
151.11185	5.5
151.14877	6.9
153.12752	3.1
155.10637	21.0
158.59155	1.4
159.11658	7.9
161.06020	2.8
161.13266	12.9
163.03908	2.8
163.07501	4.0
163.11140	2.8
163.14787	13.1
165.12758	11.7
165.16351	4.6
167.06982	5.4
169.12210	4.5
173.05936	3.4
173.13199	5.6
175.14815	9.9
177.16327	6.7
179.14336	3.4
179.17970	1.8
181.08583	27.4
181.12210	3.7
183.13783	5.8
187.07492	4.6
187.14844	3.0
189.05449	2.5
189.16350	15.1
191.17949	2.6
193.08630	2.5
201.16371	3.8
203.17932	3.2
207.06502	4.6
207.17416	12.2
209.08093	8.0
215.06990	2.2
215.17877	8.9
221.08057	3.6
225.18503	8.5
229.08452	1.8
231.20892	2.0
233.18999	3.6
247.09665	4.2
251.09111	3.6
265.08652	2.0
265.25229	3.1
271.24185	30.6
277.25150	2.9
289.25174	21.4
295.26321	2.0
307.26273	26.5
325.10721	3.5
325.27350	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	325.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01868	0.9
55.05498	1.6
56.05022	1.2
57.03405	1.6
58.06620	0.8
61.02896	0.9
65.03923	0.7
67.05494	2.2
68.05014	1.2
69.03414	3.2
69.07053	1.9
70.06560	1.0
71.04974	1.6
71.35237	1.5
74.06069	0.8
76.22761	0.6
79.05469	4.7
80.04993	2.0
81.03391	3.9
81.07048	3.9
83.04962	1.5
83.08528	0.8
84.04489	9.2
84.08140	1.0
85.02412	1.0
85.02890	13.8
85.06519	1.2
86.06049	5.4
86.09699	3.1
89.06006	0.6
91.05454	2.2
93.07024	6.2
94.06550	1.0
95.01321	1.2
95.04957	2.4
95.08580	1.9
96.08106	1.1
97.02877	2.5
97.06519	0.7
98.06044	1.6
98.09674	0.8
99.04446	1.2
100.01985	0.7
102.05522	7.7
105.03387	0.7
105.07001	2.3
107.04941	2.0
107.08566	4.0
108.08096	35.5
109.02863	3.1
109.06486	1.7
109.10124	1.9
110.07102	1.0
110.09657	3.1
111.08043	0.9
112.03930	0.8
119.08540	2.5
121.06496	0.8
121.10085	2.0
122.06040	0.7
122.09612	3.4
123.10413	1.3
123.11718	1.1
124.07506	1.2
124.11195	1.1
127.03905	1.7
130.04980	65.6
131.05219	0.8
133.10089	1.7
134.09622	1.3
135.04366	2.0
135.08067	1.2
135.11662	4.7
136.07547	2.4
136.11156	0.8
137.05966	4.3
137.09579	1.0
138.09093	1.2
145.04965	1.2
145.06493	0.7
145.10057	1.0
147.04358	0.7
147.08017	0.7
147.11652	0.6
149.05887	0.8
149.09592	1.9
150.12743	9.9
151.03880	0.7
151.11185	0.7
151.13490	2.2
152.14319	84.2
153.05507	0.7
153.14690	2.4
154.08627	0.9
154.15868	3.8
157.10097	1.0
159.11635	0.8
161.05981	2.2
161.13271	0.9
163.03888	8.3
163.07564	1.8
163.11156	2.3
164.07069	3.9
167.07014	1.5
168.06570	0.6
169.20128	0.8
171.06450	0.9
173.28716	0.7
175.11124	1.1
178.15942	3.1
181.04904	1.9
182.08026	1.1
190.15813	0.7
193.04906	1.2
193.08502	0.7
196.16925	27.5
197.17264	0.8
201.09033	1.3
235.17923	3.0
247.02322	1.2
247.09621	0.6
261.19571	1.7
264.15897	13.0
265.08530	0.8
266.17508	0.8
281.18546	60.9
282.18848	2.4
283.20056	1.5
293.07907	1.0
307.07764	0.8
307.11890	0.9
307.19879	1.3
308.18533	4.7
325.11191	3.1
325.21158	100.0
326.21497	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	325.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.7
55.01655	3.1
55.01867	32.6
55.05502	30.7
57.03232	2.3
57.03431	28.0
65.03948	3.1
67.05163	4.8
67.05495	76.3
69.03419	7.2
69.07056	28.0
69.44141	19.8
69.44563	6.7
71.01339	2.7
71.04965	3.5
79.05479	66.9
80.06264	3.5
81.03405	11.9
81.07048	77.5
83.04968	31.1
83.08595	10.5
85.02892	7.1
85.06525	8.3
91.05464	63.4
93.07037	57.3
95.04952	63.8
95.08595	48.1
97.02872	11.1
97.06511	11.2
97.10152	3.6
98.07308	4.9
103.05419	2.9
105.06372	5.5
105.07018	54.5
107.04945	85.3
107.08569	31.5
108.05730	8.8
109.06502	39.0
109.10131	27.1
111.04428	11.9
111.08025	8.2
112.05210	9.4
113.05956	6.4
115.05427	3.4
116.06304	3.3
117.06991	30.2
119.04907	5.6
119.08570	29.5
120.05705	3.4
121.06505	21.8
121.10136	18.2
122.07278	34.2
123.04427	10.8
123.08050	13.2
123.11669	8.1
125.09612	3.1
127.03904	3.4
128.06197	8.8
129.06985	19.6
131.08542	33.3
133.06485	29.5
133.10129	17.3
135.08008	18.5
135.11658	8.1
137.05936	3.3
137.09627	15.3
141.06940	5.9
142.07619	4.4
143.08536	15.0
145.04883	5.0
145.06487	26.5
145.10094	20.9
147.08031	40.1
147.11734	14.0
148.08861	3.9
149.09593	7.1
149.13206	5.0
151.07484	5.7
155.08504	5.7
157.10048	6.4
159.07990	8.1
159.11682	12.5
161.09618	33.0
161.13190	6.3
162.10297	3.7
163.07504	4.2
163.11172	9.5
165.09096	11.6
169.10112	8.8
171.11649	7.0
173.09581	4.3
173.13228	11.6
175.11172	12.2
177.12776	7.0
183.11760	4.2
187.11191	4.0
187.14815	14.8
189.12752	10.1
197.13203	6.2
205.15852	13.0
215.14229	14.8
216.14801	3.5
233.15318	100.0
234.15939	4.8
251.16374	32.0
272.17502	3.2
273.18408	9.6
290.18704	26.3
291.19226	4.3
295.31122	3.0
307.74509	2.8
325.21558	4.7
325.25168	5.1
347.94537	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.6
55.01875	2.5
55.05494	5.5
57.03442	4.4
57.07066	3.5
59.04993	1.4
67.01855	13.5
67.05489	9.6
69.03418	82.4
69.07061	16.3
69.98338	0.9
70.03768	1.3
71.04963	2.6
71.08640	1.9
71.27571	2.4
79.05479	8.0
81.03420	5.0
81.07047	32.6
81.07505	1.7
83.04997	3.2
83.08617	3.8
85.02893	10.7
85.06541	3.7
87.04466	1.4
91.05467	7.4
93.07031	15.5
93.19726	1.0
95.04984	4.3
95.08591	20.2
97.02892	2.2
97.06563	3.6
97.10151	2.7
99.04468	1.6
101.06023	5.7
103.05436	1.6
105.03406	1.4
105.07024	9.3
107.04972	3.2
107.08578	17.4
109.02886	3.6
109.05840	1.0
109.06470	5.5
109.10144	13.9
111.04420	8.6
111.08093	3.8
111.11771	2.2
115.05484	1.7
117.07033	2.5
119.04923	5.4
119.08589	6.9
121.06520	3.8
121.10118	11.4
123.04451	4.1
123.08072	2.0
123.11669	12.2
123.12412	1.0
127.03928	2.7
129.05429	5.5
131.04915	2.4
131.08583	2.8
133.06520	3.3
133.10112	6.6
135.04437	4.9
135.08049	6.9
135.11641	8.2
137.02330	1.8
137.05952	17.5
137.13251	3.7
139.03918	4.3
139.11162	4.9
141.06967	1.3
143.08568	1.2
145.06502	3.0
145.10130	4.7
147.04420	3.4
147.07970	1.6
147.11707	3.2
149.06032	3.0
149.13264	4.0
151.03879	2.3
151.07506	5.9
151.11223	3.0
151.14880	1.2
153.12723	2.0
154.02614	3.0
157.06516	1.5
159.04437	1.6
159.08051	1.4
159.11650	2.1
161.05946	5.5
161.13295	1.8
163.03883	8.7
163.07513	7.6
163.11183	7.1
163.14844	2.7
165.05452	52.5
165.09134	3.1
166.05910	1.9
167.07028	14.7
169.04962	13.5
169.06364	1.7
173.06056	2.9
175.03914	1.9
175.07518	5.2
176.04732	1.3
177.05467	6.1
177.09123	1.2
177.16457	2.2
179.06993	8.3
179.08298	1.0
181.04932	13.3
181.06287	1.3
181.08636	1.5
181.12233	4.6
182.05745	32.4
182.07179	1.6
185.06000	2.2
187.07567	3.0
189.05383	6.0
189.16399	2.0
191.03496	1.4
191.07057	6.0
191.17819	1.2
193.04947	10.0
193.08589	11.4
194.05731	3.0
195.06499	20.2
196.07285	6.3
197.08069	100.0
198.06770	1.3
198.08389	2.0
199.07631	1.4
201.05571	1.8
201.09122	2.6
203.06987	8.6
205.05066	1.8
205.08664	4.4
206.05779	1.8
207.06541	3.8
209.08064	44.0
215.07108	1.9
217.08563	1.3
218.05641	1.2
219.06438	9.6
219.10182	2.3
221.08031	7.6
223.09654	2.3
229.08618	4.6
231.06499	8.6
233.08110	4.4
239.09196	4.0
247.09673	4.5
249.07634	3.2
251.09256	2.4
257.08090	2.3
261.11276	4.5
263.09207	4.3
265.10767	1.5
271.09695	1.2
271.24182	1.6
275.09097	2.9
279.08896	1.6
279.12201	2.9
289.10675	9.3
289.25211	3.8
293.07980	1.6
297.13583	3.0
307.11716	23.3
307.15167	1.9
307.26144	6.2
325.13260	17.0
325.27383	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	325.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01862	2.0
55.05499	3.3
57.03430	5.6
57.07056	1.7
67.01854	10.9
67.05501	4.9
69.03419	82.1
69.07055	8.5
71.00252	1.3
71.00583	2.1
71.08601	2.0
79.05477	5.8
81.07046	15.8
81.38200	0.9
83.04977	1.8
83.08604	4.2
85.02888	10.8
87.04444	1.9
91.05456	6.0
92.12755	0.9
93.07029	8.1
95.04957	2.0
95.08595	14.4
97.02944	1.2
97.06537	1.1
97.10154	1.4
99.04467	0.9
101.05986	3.1
105.07005	5.4
107.04948	2.6
107.08575	8.3
109.02865	2.5
109.06509	4.5
109.10138	8.9
111.04412	8.6
111.08044	1.5
113.06028	1.8
115.05473	1.4
117.07001	1.1
119.04949	4.4
119.08551	4.7
121.06512	2.6
121.10117	4.6
123.04436	3.6
123.08072	0.9
123.11717	5.3
129.05446	7.3
131.08531	1.5
133.06474	3.1
133.10120	3.3
135.04387	3.5
135.08040	4.5
135.11682	5.4
137.02312	2.3
137.05959	16.2
137.09607	3.0
137.13213	2.3
139.03929	2.8
139.11182	1.6
143.04930	1.7
145.06470	1.8
145.10170	1.4
147.04440	1.5
147.08028	1.2
147.11661	2.0
149.05969	3.1
149.13269	2.5
151.03934	1.1
151.07549	5.5
153.12770	1.0
154.02612	2.1
155.10658	3.0
159.08009	1.4
159.11731	1.1
161.05952	4.4
161.13222	2.6
163.03891	8.6
163.07542	5.9
163.11127	1.2
163.14771	1.6
165.05450	52.0
165.09142	2.1
165.12741	1.4
166.02589	1.1
166.05855	1.2
167.07045	14.7
169.04948	16.2
169.06383	1.7
173.05988	1.3
175.03891	1.6
175.07512	3.7
175.14876	1.9
176.04634	1.1
177.05453	4.0
177.09061	0.9
178.02585	1.6
179.06987	11.4
179.14330	1.2
181.04913	13.5
181.06328	1.6
182.05719	34.4
183.06197	0.9
185.05923	1.2
186.06764	1.1
187.07658	1.9
189.05402	5.8
189.16347	1.7
191.03397	1.7
191.06970	5.8
193.04936	10.2
193.08603	8.1
194.05750	3.3
195.06497	21.9
196.07310	7.1
197.08063	100.0
198.08463	3.4
199.07547	0.9
201.05615	1.3
201.09122	3.0
203.07027	6.0
205.04805	2.3
205.08636	3.2
206.05757	2.2
207.06493	4.2
209.08054	50.2
210.08400	1.4
215.06987	1.4
217.08594	1.6
219.06433	10.8
219.10071	2.0
221.08081	8.9
223.09726	1.8
225.18457	2.5
229.04681	1.0
229.08578	3.1
231.06534	7.8
233.08012	6.5
233.11667	1.3
239.09177	3.9
243.06584	1.0
247.09593	3.8
249.07523	3.3
251.09105	2.9
257.08026	3.6
261.07703	2.5
261.11224	5.0
263.09070	3.9
265.10834	2.6
271.09735	1.3
271.24173	3.9
275.09125	5.4
279.09048	1.0
279.12222	3.2
289.10687	11.9
289.25201	1.8
293.10358	1.7
297.13318	3.1
307.11780	23.4
307.22849	0.9
307.26117	4.6
325.12823	20.8
325.27316	2.8
326.13632	1.0
335.02130	1.2
336.70276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	7.2
55.05500	8.0
57.03422	10.4
67.05486	12.4
69.03422	44.0
69.07064	11.0
69.83157	3.9
69.83538	24.0
71.01350	4.4
71.04986	14.6
73.02910	5.7
78.74725	3.4
79.05480	10.4
81.03413	5.8
81.07040	28.3
83.04974	17.4
83.08609	3.5
84.14743	4.3
85.02896	46.2
85.06540	7.0
87.04465	8.1
91.05470	12.2
93.07037	16.1
95.04957	14.7
95.08602	20.1
98.20753	7.3
103.05431	17.6
105.07015	12.0
107.04948	9.4
107.08595	14.0
109.10142	14.9
111.04444	9.0
111.08089	11.9
113.05997	12.8
115.05437	14.3
117.07002	12.6
119.04936	12.0
121.06539	7.7
121.10131	9.1
123.08025	4.0
123.11706	16.7
128.06213	7.9
129.05455	9.0
129.06984	13.7
131.04907	64.7
133.06473	4.8
133.10124	3.8
135.04427	7.2
135.11705	12.9
137.05952	73.7
137.13252	4.8
141.06976	11.5
143.04904	15.4
144.05630	3.8
145.06462	17.0
147.04356	41.0
147.11650	4.7
149.05940	22.7
149.13239	5.3
151.07512	38.4
155.08545	6.2
156.05644	4.1
157.06456	25.9
159.04373	15.1
160.05173	10.2
161.05948	19.1
162.02985	5.1
163.03827	5.1
163.07521	100.0
163.11185	3.9
167.04881	5.5
167.06992	24.9
169.06534	16.7
171.04517	3.7
171.08031	9.7
173.05988	9.7
174.06767	10.1
175.07523	63.5
176.04628	5.2
177.05455	48.6
177.09099	14.3
179.07016	47.2
183.08076	6.3
185.05988	9.6
186.06686	5.4
187.07515	28.5
188.08279	6.2
189.05388	3.9
189.09085	24.8
191.06999	76.9
193.08607	9.8
195.06627	5.3
197.05960	11.9
199.07571	30.5
201.09116	30.6
203.06972	19.3
205.08598	16.6
209.08107	4.9
211.07544	9.9
213.08986	5.0
215.07022	11.1
215.10577	6.0
216.07809	6.7
217.08545	69.4
219.10181	5.4
221.08127	16.6
222.06807	4.2
229.08546	53.1
229.10643	5.7
231.10126	16.1
233.07953	26.3
241.08661	7.2
243.10202	8.7
245.08051	6.1
247.09631	11.7
259.09589	53.7
261.11185	7.1
271.09787	4.7
277.10785	13.4
289.10660	25.8
295.11691	14.9
307.11731	56.1
307.26044	7.0
325.10349	4.6
325.14249	20.2
325.27267	6.6
326.50998	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	324.1951
Annotation	CW 69D
Peak:m/z	Relative Intensity
53.03936	0.5
59.74296	0.2
67.05517	0.2
69.03419	0.3
69.07043	0.3
69.64055	0.9
69.64495	0.9
76.73477	0.3
79.05480	14.4
80.05827	0.3
81.07029	0.7
91.05463	0.4
93.06998	1.5
95.04942	0.9
95.08592	0.3
103.05450	29.4
104.05774	0.4
105.07003	2.6
105.18504	0.2
107.04937	18.1
107.08585	0.4
108.05249	0.4
111.04409	0.4
118.06518	3.2
119.08527	0.3
121.06497	1.3
123.08060	0.2
131.04906	10.1
132.08064	1.4
133.08838	0.7
134.09584	0.3
137.45924	0.2
146.09631	1.4
147.10452	0.2
149.05977	0.7
160.11206	0.6
176.14320	41.3
177.14658	1.1
189.15186	0.3
202.33583	0.2
204.10278	0.3
233.13994	0.8
290.63522	0.3
324.19516	100.0
325.19879	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	324.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01845	1.0
55.05505	1.1
55.81895	0.7
57.03417	1.9
59.05022	0.6
61.02929	0.9
63.31554	0.6
67.05488	2.1
69.03411	2.8
69.07063	1.4
69.78374	3.8
70.06578	0.8
71.04957	1.1
74.06064	1.4
79.05486	2.9
81.03397	1.5
81.07040	18.5
84.04504	1.3
84.08152	0.9
85.02895	10.8
85.06532	100.0
86.06879	1.7
87.04456	1.4
89.06122	0.7
97.02901	2.2
97.06549	1.0
99.04438	1.1
99.08032	1.6
108.73009	0.6
109.02853	1.6
109.06504	5.9
115.07549	1.9
116.04978	1.1
120.08107	1.0
121.02848	1.6
123.04366	0.9
127.03881	2.6
127.07536	34.5
128.07883	0.8
130.06520	1.1
135.04422	0.9
145.05069	1.6
145.08580	42.0
152.07098	1.1
153.01808	0.8
158.08372	1.0
162.05479	34.9
163.03905	4.9
163.05908	1.8
166.08716	0.8
167.78525	0.8
173.02986	3.2
174.03767	3.5
175.07437	0.8
180.06583	1.6
219.03493	3.1
235.09451	1.0
257.67084	0.6
258.09869	0.7
308.05804	7.1
324.10480	17.7
324.14182	0.8
325.08435	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	323.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87737	2.1
55.05503	42.3
55.26107	1.9
57.06781	3.3
57.07065	68.0
57.23619	2.4
62.06069	4.1
67.05494	22.7
67.43206	2.1
69.07059	100.0
69.67687	18.0
71.04989	3.5
71.08624	56.8
79.05481	9.5
81.07048	52.9
83.04968	4.0
83.08605	66.6
85.06519	7.2
85.10170	33.3
91.05486	7.7
93.07027	16.7
95.04969	2.4
95.08595	62.7
97.06533	10.7
97.10158	45.7
98.20690	3.7
99.08102	2.1
99.11732	3.5
101.06018	2.6
102.12453	2.1
105.07030	18.2
107.08575	26.5
109.06485	4.1
109.10140	46.5
111.08076	5.7
111.11706	33.1
115.07545	8.5
119.08555	24.3
121.10136	20.3
123.08037	7.7
123.11691	23.4
125.09599	5.1
125.13232	11.6
127.07580	4.0
129.09122	4.9
131.08528	2.2
133.10101	27.6
135.11665	16.6
137.09573	8.3
137.13217	12.7
139.11176	4.3
139.14790	3.3
141.09119	4.0
143.10640	4.7
145.10141	2.2
147.11656	23.6
149.13234	8.2
151.11214	11.0
151.14807	4.1
153.12735	3.4
155.10672	5.3
157.12248	2.4
161.13228	20.8
163.14787	5.9
165.12737	21.9
169.12202	8.0
171.13751	3.0
175.14740	11.0
177.16417	4.4
179.14247	22.3
179.17931	2.6
183.13756	10.6
189.16385	6.1
193.15875	8.8
197.15349	8.0
203.17963	5.5
205.19493	2.3
207.17441	5.0
211.16864	3.3
221.18938	3.6
225.18454	2.7
229.05779	2.1
231.21111	5.1
235.20598	4.0
249.22176	5.4
263.27362	16.1
283.06348	4.0
287.27228	14.6
291.71628	2.3
305.28311	14.7
323.23718	4.5
323.27362	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	323.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.05250	3.7
55.05501	45.6
55.15167	2.2
57.03442	2.7
57.07067	74.0
59.04996	2.7
63.32711	2.4
66.48026	2.4
67.05495	18.8
69.07059	100.0
69.65822	2.0
69.66152	17.8
71.04966	3.2
71.08622	59.4
73.06545	2.6
73.18535	2.1
79.05466	10.5
81.07051	57.1
83.04981	3.3
83.08134	4.2
83.08610	66.6
85.06516	6.2
85.10172	37.2
91.05471	12.8
93.07043	27.6
95.08593	69.1
97.06513	13.2
97.10162	46.3
98.21416	4.7
99.11738	3.5
100.17403	2.3
105.07024	24.3
107.08572	33.5
109.06543	4.0
109.10133	47.1
110.10494	2.4
111.08033	4.2
111.11700	29.3
113.13263	3.7
115.07552	11.9
119.08559	28.5
121.10116	24.8
123.08030	10.8
123.11702	25.4
123.60906	2.5
125.09599	4.1
125.13226	13.1
127.07567	4.3
129.09108	5.4
131.08551	7.0
133.10103	33.9
135.11691	21.9
137.09579	10.0
137.13223	14.9
139.11150	4.2
139.14819	4.0
141.09070	3.4
143.10660	4.2
145.10085	4.8
147.11685	28.3
149.13222	8.5
151.11139	10.5
151.14746	5.7
153.12692	5.9
155.10637	8.0
157.10158	3.7
157.12244	3.5
159.11717	2.7
160.27304	2.6
161.13252	27.3
163.14783	5.5
165.12744	20.2
165.16415	2.9
167.14308	3.2
169.12199	10.0
173.13272	5.0
175.14719	15.1
177.16354	3.7
179.14296	22.8
183.13739	11.9
185.13269	3.8
187.14801	3.7
189.16342	8.2
191.17876	4.9
193.15820	11.1
197.13557	2.8
197.15355	10.0
199.14932	4.7
199.16687	3.6
201.16338	4.5
207.17371	5.0
207.21054	3.0
211.16840	3.8
217.19604	4.9
221.18884	2.3
231.20929	4.7
234.66493	2.3
235.20589	5.7
239.20056	3.4
249.22119	4.0
263.27417	14.0
267.05856	2.5
283.06259	3.5
287.27307	10.3
305.28262	11.4
323.27130	38.8
324.27765	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2574
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03937	3.1
55.01859	4.2
55.05499	20.9
57.03438	2.5
57.07064	6.8
59.04982	2.8
62.32921	1.8
67.05496	39.1
68.31870	1.8
69.03424	10.4
69.07059	82.6
71.04980	6.6
71.08629	3.8
71.36346	3.4
79.05488	28.6
81.03403	5.6
81.07045	98.5
83.04979	16.1
83.08610	14.7
85.02898	2.2
85.06536	5.4
91.05474	19.4
93.07031	51.9
95.04964	7.1
95.08597	100.0
96.08910	2.2
97.06521	29.6
97.10159	14.7
99.08076	5.8
105.07020	45.3
107.04895	2.4
107.08580	44.0
108.08942	2.1
109.02866	3.9
109.06509	5.7
109.10143	55.3
111.08072	8.7
111.11703	6.7
113.09586	3.2
117.07014	7.2
119.08560	35.7
121.02849	4.2
121.06470	3.2
121.10132	38.9
122.10415	2.8
123.08077	6.5
123.11716	19.8
125.05965	5.8
125.09628	9.1
127.07547	2.2
127.11229	2.5
129.07004	3.2
130.06511	2.9
131.08525	10.6
133.10107	36.3
135.08026	6.1
135.11661	22.8
137.05951	4.5
137.09604	8.2
137.13245	7.8
139.11162	17.2
143.07368	3.7
143.08528	4.4
144.08096	3.8
145.10098	10.9
147.11679	19.5
149.09566	4.9
149.13246	20.0
151.11168	5.3
151.14839	3.5
153.12695	3.9
155.10600	2.5
157.10118	6.9
159.11679	13.9
161.05952	4.5
161.13237	25.1
163.11145	4.0
163.14804	7.8
164.07047	2.7
165.12735	4.7
167.10693	7.5
171.11655	2.1
173.13223	4.1
175.11201	3.1
175.14796	5.3
177.12675	5.1
177.16351	6.7
179.10730	2.5
179.14368	3.0
181.08490	2.2
181.12234	2.4
182.08096	3.8
185.13223	2.5
186.09146	2.1
187.14803	6.5
189.16336	15.9
191.17917	3.1
199.14806	4.8
201.16368	4.5
203.17949	8.5
207.17436	8.7
213.16397	7.4
219.17439	2.8
231.17398	4.0
243.21188	2.5
257.22354	2.0
269.22583	12.3
287.23651	14.4
305.24802	17.8
323.12540	4.7
323.25745	27.6
324.26276	2.0
326.05286	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2575
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
53.03933	2.5
55.01860	2.3
55.05503	15.0
57.03407	1.1
57.07066	8.7
59.04995	2.6
65.03922	1.6
67.05127	1.0
67.05492	29.5
69.03413	8.5
69.07057	49.6
69.88875	6.3
71.04980	5.8
71.08622	3.7
73.02828	1.1
73.06558	1.0
79.05482	17.5
79.10495	1.1
81.03428	2.2
81.07043	100.0
83.04969	5.1
83.08608	11.7
85.02855	1.4
85.06534	12.9
87.04459	3.9
91.05463	12.6
93.07026	43.0
95.04951	32.6
95.08592	65.4
97.06507	9.5
97.10177	5.6
98.20785	1.3
99.04464	2.5
99.08105	3.6
105.07008	24.6
106.07378	1.2
107.08579	38.8
108.08918	1.3
109.02846	2.2
109.06507	14.1
109.10137	32.6
111.08067	22.1
111.11699	5.5
115.07651	1.3
117.07020	1.8
119.08562	20.0
121.06503	3.1
121.10119	32.2
123.08020	5.8
123.11687	43.6
124.12032	1.3
125.09615	5.7
127.07523	7.3
127.11178	3.6
131.08562	4.9
133.10094	11.3
135.08043	2.6
135.11673	15.2
137.06006	1.5
137.09607	5.7
137.13229	15.2
139.11166	9.4
141.12741	1.3
145.10071	6.7
147.08078	1.4
147.11670	23.3
149.09641	3.8
149.13237	10.3
151.11154	7.3
151.14803	1.4
153.12770	1.9
155.10724	2.0
157.10097	2.4
159.11633	9.8
161.05988	1.8
161.09608	3.0
161.13229	8.2
163.11198	2.7
163.14828	4.6
165.12711	8.8
167.10645	4.0
171.11649	1.8
173.13281	4.7
175.14810	4.7
177.12708	2.3
177.16389	3.8
179.10681	1.9
181.12137	2.4
183.13838	4.0
185.13264	1.6
187.14725	2.4
189.16356	3.2
191.14125	1.2
191.17969	2.1
199.14819	2.0
201.16362	3.1
203.08615	1.9
203.17947	2.1
207.17508	1.2
213.05463	1.1
213.16397	3.8
215.17976	1.7
217.19576	1.3
229.19482	1.8
237.18475	1.7
248.08272	2.1
249.18463	1.8
259.07181	1.6
269.22516	5.9
276.07800	1.7
277.08389	1.6
279.22809	1.3
287.23624	13.3
291.10165	3.8
293.07916	2.0
293.24747	1.6
305.17548	1.3
305.24710	33.8
306.25113	1.2
323.05399	2.3
323.09204	2.3
323.12695	9.4
323.18439	3.2
323.25894	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	323.2575
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03926	2.5
55.01853	3.6
55.05502	14.9
57.03413	3.1
57.07067	8.3
59.04982	3.0
59.31414	1.2
62.79815	1.0
67.05492	32.1
67.99425	1.1
69.03431	7.0
69.07056	60.7
71.04978	6.8
71.08629	2.3
71.14627	2.5
79.05482	17.0
81.03393	3.1
81.07043	100.0
83.04968	11.2
83.08599	8.8
85.06525	10.3
85.10168	1.2
89.05999	1.1
91.05455	13.9
93.07026	35.7
95.04956	9.4
95.08592	72.5
96.08926	1.8
97.02864	2.7
97.06509	19.7
97.10136	6.0
99.08070	3.5
105.07021	23.4
107.08576	28.5
109.02885	1.5
109.06494	10.5
109.10142	42.0
110.10427	1.2
111.08065	18.4
111.11710	3.9
113.09600	1.5
117.06976	1.4
118.03808	1.1
119.08559	17.6
121.06473	2.7
121.09299	2.2
121.10120	29.0
123.08043	7.8
123.11691	37.2
124.07554	2.2
125.05962	2.6
125.09623	5.0
127.11143	3.0
131.08539	3.8
133.06390	1.5
133.10126	15.4
135.08020	3.7
135.11650	13.1
137.05928	6.8
137.09624	6.3
137.13216	8.8
139.11163	6.6
141.12694	1.9
141.82832	1.1
143.08521	2.2
145.10088	7.6
147.11665	11.2
149.09572	4.8
149.13242	9.0
151.07500	4.4
151.11163	5.2
151.14792	4.6
153.09082	1.8
153.12709	5.6
155.10617	2.2
157.10109	3.4
159.11659	5.4
161.05949	3.8
161.09563	2.8
161.13257	7.1
163.11121	2.5
163.14801	4.1
165.12737	6.4
167.10623	5.3
169.12259	1.9
171.11658	2.3
173.13211	3.3
175.11203	1.7
175.14798	3.2
177.05519	1.3
177.12660	2.1
177.16467	2.5
178.16705	1.1
179.10602	4.8
181.08603	1.3
181.12227	1.4
183.08134	1.2
185.13208	2.2
187.07529	1.2
187.13199	1.9
187.14751	2.8
189.16315	5.5
191.14296	6.0
193.15831	1.3
195.17477	1.5
197.19019	1.2
199.07462	2.8
199.14757	2.4
201.16243	3.5
202.07704	1.5
203.08601	1.9
203.14226	1.3
203.17952	3.8
205.15848	1.3
205.19574	1.3
207.17375	2.2
213.16353	2.8
217.19566	2.0
219.17184	1.1
221.18973	1.4
229.19609	1.2
231.07999	2.0
231.17519	1.3
243.21140	1.3
248.08386	1.9
263.10587	1.8
269.22556	3.1
276.07819	1.9
277.08469	1.6
287.23572	6.8
291.10175	4.6
305.24725	22.7
323.09235	2.6
323.12576	9.0
323.18555	1.8
323.25714	19.5
324.13071	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2576
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03934	2.4
54.22332	1.2
55.01867	2.8
55.05505	14.9
57.03424	3.6
57.07070	6.2
59.04988	3.3
65.03924	2.0
67.05116	1.4
67.05492	30.1
69.03419	11.8
69.07060	53.4
70.68567	3.5
71.04984	8.6
71.08627	1.4
79.05484	18.5
81.03405	4.4
81.07047	100.0
83.04961	6.3
83.08591	11.0
85.02866	3.1
85.06529	13.3
87.04459	3.8
89.06033	1.4
91.05463	13.0
93.07030	44.3
95.04958	35.4
95.08591	68.0
96.08905	1.6
97.06509	9.5
97.10145	5.2
99.04440	2.2
99.08072	5.5
105.04549	1.5
105.07014	34.9
107.08572	32.2
109.02834	3.2
109.06499	11.7
109.10141	28.4
111.04456	1.8
111.08070	18.0
111.11669	3.2
113.09600	1.9
115.07575	2.0
117.06975	2.3
119.08572	23.5
121.06474	2.4
121.10121	35.6
123.08050	5.8
123.11686	40.4
125.09625	5.1
127.03904	2.5
127.07523	8.0
127.11182	2.2
129.06943	1.6
131.08553	4.7
133.06544	1.4
133.10104	13.0
135.08066	2.2
135.11685	14.6
137.05971	2.4
137.09598	4.6
137.13260	13.8
139.11156	6.7
141.09094	2.1
143.08554	1.6
145.10075	7.9
147.11664	23.7
149.09615	5.1
149.13225	10.1
151.07504	2.8
151.11151	5.3
153.09073	1.4
157.10138	3.3
159.11693	8.5
161.05975	1.5
161.09613	1.9
161.13220	5.1
163.11163	3.2
163.14778	4.1
165.12700	8.0
165.16235	1.3
167.10658	6.4
171.11676	2.0
173.13223	5.3
175.14786	3.5
177.12697	1.5
177.16406	4.8
181.12283	2.8
183.13802	4.4
185.13304	1.6
187.14856	2.4
189.16354	3.0
199.07509	1.6
199.14890	3.2
201.16325	3.1
213.16345	3.7
231.07954	1.8
231.17398	1.6
237.14876	1.7
249.18484	1.6
259.24121	1.6
269.22604	4.5
277.25113	2.6
287.16385	2.0
287.23679	14.5
291.10095	4.3
305.21268	1.8
305.24689	33.3
306.24973	2.1
308.06866	1.5
316.69614	1.6
323.09128	3.8
323.12708	6.0
323.18558	6.7
323.21960	2.4
323.25714	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	323.2211
Annotation	Decahydro-alpha,4a-dimethyl-8-methylene-7-(2-methyl-1-oxopropoxy)-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
54.32402	1.0
55.01853	6.1
55.05499	6.3
57.03428	25.3
57.07055	2.8
65.03923	1.9
67.05495	24.7
69.03404	1.9
69.07057	5.9
69.43044	8.7
71.04990	4.8
77.22915	0.9
77.51624	0.8
79.05484	8.3
81.03417	2.1
81.07044	18.6
83.08585	5.0
85.06532	30.4
91.05463	8.3
93.07031	11.5
95.04954	35.6
95.05556	2.2
95.08590	12.5
97.06519	2.6
97.10159	2.5
98.21467	1.4
99.04399	1.5
105.07025	7.1
107.04937	2.4
107.08576	8.1
109.02860	2.1
109.06500	28.6
109.10141	9.1
111.08048	1.3
113.05988	100.0
114.06306	0.8
115.03912	1.7
117.06998	3.5
119.08585	5.1
121.06522	2.4
121.10079	5.0
123.08045	2.8
123.11668	5.8
125.05954	1.0
127.03903	12.9
129.07010	2.4
131.08524	7.6
133.10081	5.6
135.07086	1.8
135.08035	21.0
135.11653	3.9
139.07407	1.3
141.05402	1.1
143.08522	3.5
145.10126	4.9
147.08032	2.6
147.11644	2.7
149.09615	4.0
149.13214	2.1
151.14986	1.0
152.84818	1.2
157.10155	3.1
159.11674	3.6
161.09642	3.3
161.13239	1.2
163.11159	2.5
169.10094	1.1
171.11652	1.5
177.12743	1.6
179.17856	1.7
183.10103	1.2
183.11578	1.5
185.13185	1.0
189.16342	1.4
193.15938	1.0
195.11742	1.4
195.13847	1.6
197.11707	1.1
199.14818	3.1
201.12801	1.3
217.15854	5.9
255.17386	1.3
273.18512	14.2
291.10092	1.4
291.19495	41.3
305.21164	9.6
305.24445	1.3
323.12625	2.4
323.22314	6.3
323.26926	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37910	0.4
52.16832	0.5
53.03923	1.3
55.01869	3.0
55.05503	16.9
57.03413	1.0
57.07053	1.0
62.06079	1.0
67.05125	0.5
67.05495	13.4
69.03417	3.6
69.07056	14.0
71.04979	1.4
71.07597	0.8
71.08617	1.0
79.05482	10.6
81.03385	2.0
81.07043	11.9
83.04958	2.0
83.08601	8.0
85.06514	1.1
85.10145	0.4
91.05470	6.8
93.07024	9.6
94.04176	0.7
94.13702	0.4
95.04951	4.4
95.08591	6.8
95.85950	0.5
97.02870	3.1
97.06531	1.5
97.10155	15.1
105.07013	7.1
107.04937	3.6
107.08585	8.8
107.76855	0.5
109.02833	0.5
109.06489	1.3
109.10129	4.4
110.88548	0.5
111.08041	1.5
117.06984	3.3
118.46016	0.4
119.04945	0.6
119.08559	6.8
121.06483	1.6
121.10123	3.9
123.08067	3.3
123.11629	1.0
125.09613	12.5
129.06989	1.7
131.08556	4.3
133.06448	2.1
133.10121	3.4
135.08057	3.7
135.11661	1.5
137.09602	1.2
142.07732	0.5
143.08511	2.6
145.10115	3.0
147.08031	2.8
147.11671	2.6
149.09560	1.2
151.11241	0.7
153.09084	2.2
157.10109	1.3
157.12146	0.6
159.11661	1.1
161.09590	2.1
161.13199	1.0
163.11125	0.8
165.09068	2.2
171.11658	1.7
173.13196	0.6
175.11150	1.2
183.11646	0.5
185.13242	0.7
189.11192	0.9
189.12692	0.8
197.13376	0.7
199.14777	0.5
201.16356	0.5
203.12714	6.7
205.12224	0.9
213.16251	0.5
223.13257	10.3
227.17998	0.6
237.14850	2.0
241.87187	0.5
245.19025	1.2
249.14830	0.8
255.17500	1.4
263.19949	0.9
273.18475	7.4
291.19495	100.0
292.19800	3.4
305.21033	17.5
323.22095	2.5
323.27426	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	323.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
53.46421	4.2
55.01852	11.9
55.05501	36.5
57.03428	12.4
57.07065	5.0
67.05495	72.2
69.03412	7.7
69.07063	33.4
71.04984	5.6
71.08628	10.6
71.62824	6.5
79.05477	46.3
81.07046	89.8
83.04972	30.6
83.08619	19.7
85.02910	4.3
85.06521	10.6
91.05472	51.4
93.07035	51.2
95.04958	18.0
95.08589	43.1
97.06516	12.7
97.10172	8.5
99.04453	7.7
99.08058	4.6
105.07015	60.8
107.04951	12.3
107.08584	59.2
109.06507	14.6
109.10144	68.7
109.94530	3.6
110.65725	3.7
111.04407	5.2
111.08071	9.8
115.07546	4.1
117.07001	13.3
119.08549	19.1
121.06506	12.2
121.10123	19.5
123.08028	8.2
123.11744	19.3
131.08546	23.1
133.06476	10.7
133.10117	100.0
135.07974	9.8
135.11678	13.2
137.09660	7.2
139.07486	6.2
143.08540	9.7
145.10106	17.9
147.08009	8.0
147.11681	15.5
149.09599	17.4
149.13260	4.9
151.11153	86.3
157.10124	7.9
159.08020	8.5
159.11650	6.6
161.09581	12.0
161.13300	7.3
171.11684	9.2
175.11182	8.8
177.09088	20.4
179.10660	12.5
183.13745	25.0
185.13307	6.1
217.12172	5.4
227.17850	4.7
229.14322	7.4
245.19051	9.4
255.17564	6.3
263.20038	6.5
265.09253	4.4
273.18451	46.7
291.19528	53.1
303.44144	4.3
305.17929	7.1
305.20938	28.5
323.12683	6.8
323.22168	43.7
323.26862	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01875	7.3
55.05505	34.4
56.05838	2.8
56.89182	3.3
56.99790	2.6
57.03431	6.6
57.07065	5.7
60.59650	2.7
67.05494	50.9
69.03407	5.3
69.07062	34.0
71.04985	4.8
71.63005	3.2
73.78770	2.8
76.89658	3.1
79.05482	37.9
81.03419	3.5
81.07041	81.7
83.04955	16.7
83.08623	16.6
85.06527	8.2
85.10172	3.4
91.05466	46.1
93.07027	57.8
95.04967	12.1
95.08595	52.6
97.06528	11.7
97.10164	5.7
105.07021	45.9
107.04949	8.7
107.08580	59.5
109.06497	14.3
109.10140	55.3
111.04471	4.6
111.08051	7.4
116.14567	3.0
117.06980	10.4
119.08560	32.9
121.06493	16.3
121.10108	27.7
123.08038	11.6
123.11665	24.2
123.41157	2.9
128.06238	3.7
129.06963	6.3
131.08524	17.7
133.06487	8.9
133.10114	71.9
135.08072	3.6
135.11685	16.3
137.09572	8.3
137.13286	5.1
137.14297	3.3
139.07497	7.9
143.08539	12.2
145.10114	18.1
147.08026	8.4
147.11642	13.5
149.09653	9.4
149.13223	7.4
151.11166	48.7
153.09258	4.4
153.12849	3.4
157.10078	8.5
158.10983	3.1
159.11639	14.8
161.09641	12.0
161.13190	17.8
163.11232	3.9
163.14819	6.0
165.09146	6.1
165.12704	4.3
171.11661	13.5
173.13266	7.5
175.11218	3.5
175.14796	5.6
177.09108	9.0
177.12668	4.1
177.16466	4.3
179.10645	10.0
181.12138	3.3
183.11711	4.9
183.13788	19.9
185.13243	13.5
187.11142	5.2
187.14792	9.7
189.12764	4.6
189.16324	4.1
199.14767	11.4
201.16411	8.2
211.14897	5.4
213.16408	7.6
215.17885	6.1
227.17949	8.3
245.18872	10.7
255.17458	3.8
263.20062	11.6
273.18433	35.6
291.19507	62.6
292.19690	5.0
305.21167	12.4
323.12796	4.1
323.22293	28.4
323.27283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1271
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.72306	0.4
57.64006	0.5
60.36351	0.3
67.05487	0.5
69.07046	0.8
71.04957	0.5
71.06757	1.2
79.30672	0.4
81.03360	0.4
81.07027	0.9
91.05394	0.6
93.06985	0.6
95.08572	1.5
105.06996	0.8
105.67873	0.4
107.04876	0.6
107.08530	0.6
115.05429	0.9
119.08542	0.5
128.06146	0.4
129.91356	0.5
135.04395	5.6
142.04132	0.4
145.06415	2.0
145.09999	0.4
151.07507	3.3
159.08023	1.4
179.08508	0.6
185.05881	2.1
189.06944	1.3
190.07739	0.8
191.08484	2.1
194.07254	0.9
195.08035	0.7
202.07721	0.7
203.08476	3.4
205.06491	2.0
206.07210	1.3
207.08017	0.7
209.09561	1.6
217.06462	0.9
218.07211	1.5
219.08014	8.0
220.08755	3.1
221.09583	7.9
222.06876	0.8
222.10031	0.4
223.07437	0.8
223.49890	0.4
231.08008	0.6
232.08784	1.7
233.05864	1.0
233.09607	6.2
234.06686	0.8
234.10359	1.2
235.07388	1.2
235.11116	0.6
236.08255	1.3
237.09077	9.8
247.07603	1.9
248.08279	3.6
249.09079	20.2
250.09622	1.5
251.10632	4.3
251.58838	0.5
252.11400	0.6
261.09070	1.6
262.09833	1.1
263.10684	5.1
264.11411	19.7
265.08618	7.3
265.11752	1.3
276.07813	0.4
277.08533	2.6
279.10107	2.6
280.07642	0.9
280.10852	6.7
281.11157	0.5
291.10144	0.8
292.10944	7.3
293.08014	0.8
293.11404	0.6
295.13242	100.0
296.13602	5.5
297.31635	0.5
301.10272	0.4
307.09753	1.0
308.10358	1.8
323.12726	67.6
324.13022	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	323.1272
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01843	0.5
55.05478	0.8
55.29659	0.3
57.07036	0.4
60.37678	0.3
67.05453	0.9
69.03384	0.5
69.07019	1.3
74.69250	0.3
77.51435	0.4
79.05447	1.0
81.07053	2.0
82.41653	0.4
83.08569	1.0
91.05435	1.2
93.07035	1.8
95.04958	0.4
95.08582	1.7
97.06490	0.4
97.10119	0.5
105.06964	0.9
106.94945	0.4
107.04895	0.6
107.08543	1.6
109.06488	0.4
109.10107	1.3
111.07997	0.6
117.06970	0.7
119.08527	0.7
121.10090	1.2
123.04398	0.4
123.11637	0.6
124.79485	0.4
129.06931	0.7
131.08505	0.7
133.06409	0.5
133.10097	0.7
135.04396	5.0
135.11635	0.4
137.13179	0.5
143.08395	0.4
144.05669	0.4
145.06464	2.3
145.10100	0.6
147.11694	0.6
149.13170	0.4
151.03871	0.7
151.07518	4.8
159.08064	1.7
159.11684	0.5
161.05872	0.4
169.10191	0.4
173.13173	0.5
177.06903	0.5
179.08539	0.6
181.06458	0.5
181.10062	0.4
185.05966	2.0
190.07831	0.8
191.08484	2.3
193.06235	0.5
193.09991	0.8
194.07236	0.7
195.07944	0.5
202.07695	1.2
203.08533	2.5
205.06430	1.5
206.07220	1.3
207.08093	0.6
209.09555	1.8
217.06477	0.9
218.07213	1.6
219.08003	8.3
220.08774	3.1
221.09589	7.3
222.06714	0.9
222.09938	0.5
223.11006	0.5
229.40440	0.4
232.08807	1.7
233.05910	1.0
233.09605	7.1
234.06808	1.8
234.10266	1.2
235.07420	1.1
235.11102	0.8
236.08240	1.2
237.06639	0.7
237.09053	11.3
247.07463	2.3
248.08298	3.7
249.09079	21.2
250.06096	0.7
250.09631	1.6
250.45827	0.4
251.10611	4.9
252.11154	0.6
261.09052	1.4
262.09909	1.2
263.10608	4.5
264.11414	19.6
265.08585	8.4
265.11832	1.3
266.09195	0.5
276.07742	0.4
277.08554	3.0
279.10150	2.6
280.07593	0.8
280.10818	7.1
281.11224	0.5
287.16312	0.4
287.20123	0.4
291.10110	1.2
292.10864	5.8
293.08054	1.4
293.11087	0.4
295.13235	100.0
296.13556	6.4
305.24640	0.8
307.09698	1.6
308.10309	1.9
323.12723	67.8
324.13126	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	323.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43688	0.9
56.96563	5.3
57.03413	1.1
58.99862	1.0
62.75408	1.0
69.03424	4.7
69.61411	7.9
73.02901	1.7
77.00922	1.7
81.03397	2.6
82.99844	1.9
84.96020	1.4
85.02901	2.2
92.51703	0.9
97.02874	2.6
97.83721	1.0
98.21471	1.8
98.97563	11.8
101.00854	13.6
103.00622	1.7
103.02450	3.3
109.02903	1.3
111.04438	1.1
113.00857	2.6
115.02423	2.0
116.98613	8.3
117.02131	1.3
118.47001	0.9
119.01910	47.1
120.02009	2.8
121.01665	4.4
121.03479	2.1
127.02377	1.6
128.98602	1.7
131.00203	1.1
131.01920	12.8
133.01646	3.0
133.03458	2.8
134.99660	4.4
137.02960	8.9
139.02460	1.5
142.03497	1.2
143.00171	2.6
143.01881	24.9
144.01860	1.0
145.01721	1.1
145.03438	12.6
146.99667	2.0
147.03203	2.1
149.02953	3.1
151.00899	1.6
155.01894	10.1
155.40961	1.3
157.03448	19.4
159.01347	3.2
160.01376	1.0
161.02942	74.9
161.99483	3.1
162.03116	3.5
163.04518	2.1
163.40610	0.9
166.99287	1.4
169.03447	4.7
171.03145	5.2
172.01439	2.1
173.01411	2.3
173.02946	30.0
174.03044	1.9
175.02792	2.6
175.04492	8.8
176.99358	1.2
177.00795	2.4
177.02385	1.0
178.02383	1.2
179.02275	1.6
179.03972	3.1
184.04564	2.0
185.02982	10.2
187.04536	5.2
189.02524	2.2
189.04282	4.5
191.02444	1.8
191.04033	9.2
195.01604	1.2
197.02928	3.3
198.98416	1.3
201.02518	1.9
203.02304	1.6
203.04030	11.2
205.02266	1.9
205.05569	3.6
207.05299	1.7
213.52711	1.1
215.04033	5.2
219.01947	3.0
220.02101	3.2
221.01471	2.2
221.03342	2.9
221.05240	5.8
223.02939	1.5
223.04799	4.6
223.06653	5.6
225.06436	3.7
233.01628	1.8
233.05054	32.9
233.07321	2.3
234.05229	2.0
235.06715	2.4
239.04329	4.3
239.06197	3.2
245.01453	2.1
245.05061	4.0
249.01167	1.3
251.05798	1.7
251.08266	2.6
256.97650	2.7
257.97687	8.6
258.97372	3.5
258.99747	2.1
261.04047	1.5
261.06531	3.8
263.06168	100.0
264.06238	5.4
276.00275	1.2
277.00873	3.9
279.07513	3.3
281.07526	25.3
282.02469	2.1
282.07339	2.0
287.02316	1.2
291.04990	1.7
293.07150	2.4
298.98590	1.9
299.98718	9.6
300.98251	3.4
302.04279	1.4
302.07587	3.5
303.02664	1.2
304.08722	1.4
305.06918	4.8
308.50723	1.4
312.04324	2.3
314.00787	2.2
323.07968	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	323.0755
Annotation	Leukoefdin
Peak:m/z	Relative Intensity
52.44377	0.9
53.03922	1.2
55.01861	3.2
55.05506	1.1
55.27474	0.9
57.03424	1.1
61.02911	0.8
65.03915	2.8
67.01846	1.7
67.05479	2.9
68.99780	5.6
69.03416	8.1
69.69556	5.6
70.06581	1.0
70.83835	0.7
71.04961	1.7
73.02882	0.7
75.04387	0.8
79.05479	7.8
81.03400	4.4
81.07058	1.0
83.04964	3.2
85.02881	4.0
85.06535	0.9
87.04433	1.8
91.05471	1.6
93.03400	2.3
95.04963	6.3
95.50538	0.8
97.02891	12.8
98.20833	1.7
98.97547	1.6
99.04437	3.8
105.03361	1.0
107.04932	7.8
109.02846	3.6
111.00804	2.0
111.04438	9.1
115.03910	0.9
115.05417	1.1
116.98601	0.9
117.07003	0.8
119.04919	1.3
121.02848	2.5
121.06454	1.2
123.04411	9.5
125.02325	1.0
125.05929	1.0
127.03893	6.7
131.04893	1.5
131.06874	1.0
133.02885	1.4
133.06412	1.2
135.04375	10.5
137.02287	2.7
137.05914	1.1
138.05466	1.2
139.03882	100.0
140.04213	2.5
142.06485	2.7
143.03401	2.1
143.06915	3.4
144.07948	1.3
145.06442	1.1
145.08430	2.7
147.04382	3.6
149.02251	1.6
149.05983	1.7
151.03886	13.8
153.01791	2.1
153.05501	1.1
155.03369	36.2
156.03685	1.9
158.05988	1.2
159.04402	1.8
160.07587	7.5
161.04510	0.9
161.05907	1.1
161.07945	9.0
163.03889	22.0
165.05437	2.0
167.03397	4.5
169.04912	2.6
173.06003	1.9
175.03885	1.3
177.05452	2.1
179.03395	7.7
181.04930	20.5
183.06447	1.2
185.04193	1.1
188.04665	1.0
189.05437	2.3
193.04901	2.6
201.05411	2.6
203.03429	1.1
203.06914	1.3
205.08377	0.9
206.05614	0.9
212.04636	3.7
213.05367	2.2
215.07008	2.7
217.04965	1.6
219.06493	0.9
231.06493	2.2
240.04115	6.8
241.04836	2.1
243.06512	5.0
245.04428	3.4
259.05939	5.1
261.07547	7.2
263.10284	1.9
269.04428	20.1
273.45721	0.8
277.07040	3.0
281.05426	3.6
287.05438	19.3
305.06464	10.9
305.10254	1.1
305.11462	1.1
323.07553	6.9
323.13013	26.2
349.98831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	5.4
70.45888	3.2
70.46279	2.6
74.81696	1.3
80.83025	1.5
98.20776	1.4
98.97574	65.6
102.04424	1.3
116.98602	53.4
119.01849	2.8
132.05083	2.3
134.53511	1.3
134.99641	25.9
137.02959	2.1
150.06096	2.3
153.00708	4.1
158.01306	1.6
177.00929	12.3
178.00992	4.3
179.00890	2.0
201.00896	2.9
218.03528	1.8
219.01979	55.4
220.02061	22.8
221.01711	9.2
234.99817	2.0
240.98647	5.1
256.05118	1.8
258.03241	1.6
258.99701	59.8
260.00018	4.4
261.00616	1.4
261.03040	8.7
262.03223	2.4
263.06125	2.1
273.03055	2.9
274.06168	3.8
277.00723	100.0
278.00980	5.5
281.05206	1.3
282.03110	11.5
282.99954	5.9
299.97919	4.1
300.04083	32.6
300.97574	3.4
301.01025	13.1
301.04208	3.3
318.05112	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64379	2.0
57.34582	2.0
60.28675	1.9
70.20219	5.6
70.20612	5.1
70.95509	2.1
83.08818	2.1
91.29044	2.1
98.99143	2.0
121.01688	2.5
143.01857	5.2
161.02956	8.2
161.99498	9.5
173.02890	3.4
203.04070	3.7
233.05020	2.5
265.34531	2.2
323.07339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01849	1.1
55.05494	0.6
56.96555	0.8
57.03436	2.8
57.03660	0.5
59.04988	0.6
60.04502	1.2
61.02907	2.5
68.99777	1.3
69.03075	0.7
69.03422	10.7
69.07040	0.6
70.06586	0.7
71.01347	0.5
71.04976	1.5
71.06909	0.5
71.61549	1.1
72.04523	3.7
72.04852	0.9
73.02911	3.3
79.05476	1.7
81.03403	2.7
81.07053	0.7
83.04986	0.7
84.04494	1.6
85.02892	12.8
87.04461	2.8
90.05549	5.7
91.03922	0.9
94.52269	0.5
95.04951	1.4
97.02874	7.6
97.29072	0.6
98.00629	0.6
99.04440	2.2
100.03945	0.6
101.02386	0.6
107.04916	1.6
109.02867	2.8
111.04429	1.7
112.07585	0.7
113.06024	0.7
114.05511	4.2
115.05419	1.6
115.07590	0.5
117.07001	1.5
118.04974	1.0
121.02878	0.6
122.05959	0.7
123.04420	2.0
124.02116	0.6
125.02400	0.6
125.05968	0.9
127.03905	4.4
130.06508	2.5
131.07011	2.0
132.06520	1.8
132.08102	4.9
135.04381	2.2
136.06029	2.1
139.03889	22.3
140.04745	3.2
142.03204	2.2
142.06499	22.2
142.07631	0.6
142.08546	0.7
143.07216	7.0
144.08078	12.6
145.04955	1.2
145.06544	0.6
147.04321	0.8
149.02322	0.6
151.03886	2.2
153.01846	1.2
154.02321	0.5
155.03378	14.0
156.03770	1.2
158.05977	3.8
159.06760	1.0
160.04282	3.8
160.06082	4.5
160.07552	67.3
160.09709	2.0
161.07887	2.0
163.03923	3.6
167.03377	0.8
168.04144	1.1
178.07086	1.8
179.03372	1.7
181.05006	3.5
202.08652	0.7
231.49937	0.5
237.02802	0.5
240.04208	1.0
241.04675	0.7
243.06534	0.8
245.04527	1.0
255.21234	0.6
259.05823	0.9
261.07541	1.7
262.09076	0.8
263.10208	0.7
269.04370	2.2
280.10110	1.3
286.09247	1.4
287.05573	3.5
290.73267	0.6
304.02020	0.7
304.05484	1.1
304.10300	2.0
304.13867	0.9
305.06491	2.1
305.11340	0.7
322.12781	100.0
323.04129	1.5
323.07495	0.9
323.13107	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	321.2419
Annotation	11,12-EET
Peak:m/z	Relative Intensity
53.03938	1.1
55.01849	1.5
55.05505	5.9
57.03415	1.5
57.07067	4.8
67.05494	10.8
69.03427	8.8
69.06716	1.3
69.07056	16.8
70.52343	3.7
71.04984	13.5
71.08610	0.9
71.28436	1.0
79.05476	9.6
81.07050	34.1
82.07400	1.4
83.04971	1.8
83.08591	3.8
85.06514	3.6
89.06005	0.9
89.41995	0.9
91.05466	7.7
93.07029	19.7
94.07362	1.0
95.04955	3.6
95.08592	27.1
96.08996	1.1
97.06500	4.9
97.10136	2.7
98.20900	1.3
99.08030	1.6
105.07016	15.9
107.04913	1.3
107.08578	25.7
108.08910	1.3
109.02869	2.6
109.06523	5.8
109.09447	1.6
109.10143	21.5
111.11629	1.1
116.42864	1.0
117.06992	2.7
119.07780	1.8
119.08563	19.8
121.06483	8.8
121.10129	25.0
123.08020	2.7
123.11694	17.5
127.11160	3.1
129.06982	1.0
130.07690	1.4
131.06972	1.2
131.08539	5.3
133.10103	15.5
134.66051	1.2
135.08035	7.9
135.10666	2.0
135.11679	32.6
137.09576	5.2
137.13203	5.3
139.11157	2.9
141.12723	12.8
142.07802	1.5
142.29659	1.0
143.08537	3.0
144.26500	0.9
145.06454	1.0
145.10109	14.6
147.07997	2.9
147.11679	9.1
149.09639	5.6
149.13216	3.2
151.11147	2.9
153.09120	1.4
153.12714	3.4
155.08492	1.3
155.10709	1.3
157.10077	8.6
159.08017	2.6
159.11671	8.3
160.08763	1.4
161.09547	5.5
161.13231	3.7
163.11169	7.7
163.14761	2.0
165.09097	3.9
165.12766	1.0
169.10115	2.4
171.11687	2.5
173.09596	3.6
173.13251	6.7
175.11153	30.5
175.14722	8.1
177.12692	2.8
177.16360	1.2
179.10721	1.5
181.12170	2.3
185.13216	1.9
187.11172	2.1
187.14764	3.1
189.12682	5.4
189.16330	4.9
193.12148	1.7
197.13139	2.2
199.14793	10.3
201.12698	6.3
201.16365	2.0
203.17876	1.6
205.15939	1.2
205.19470	1.4
211.14827	2.3
213.16350	2.9
215.14297	2.7
215.17885	3.8
217.15785	2.9
219.17386	1.8
229.15846	3.7
230.70081	1.1
233.19023	7.1
243.17427	1.4
257.22574	1.8
261.09128	2.2
261.22046	5.1
267.20981	5.1
275.19946	0.8
275.20685	0.9
275.23666	4.2
285.22113	27.5
286.22437	1.1
289.08463	3.6
303.23148	100.0
304.23560	8.0
309.40747	1.1
321.11032	4.4
321.20731	2.2
321.24170	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	321.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08943	0.6
53.03939	2.0
55.01851	0.6
57.03430	63.4
57.84414	0.6
59.04996	0.8
59.76859	0.5
61.43896	0.6
67.05501	1.0
69.03415	9.5
69.03761	1.1
69.07047	1.9
70.06587	0.8
71.04977	2.6
71.62283	0.9
73.02908	1.2
79.05501	0.7
79.55328	0.5
81.03401	8.9
81.07045	1.4
83.04955	0.9
85.02894	8.3
85.06555	0.6
89.06007	3.1
91.05472	1.7
93.07034	1.1
94.06562	1.9
95.04948	1.0
95.08609	1.3
97.02865	5.5
99.04440	14.5
99.05090	0.8
108.08096	1.9
109.02856	5.0
110.07187	0.6
112.07594	1.9
113.05997	2.2
114.05477	0.6
117.05473	15.4
118.06526	3.2
120.08079	0.9
122.06019	2.0
124.07565	1.3
127.03909	7.7
128.04974	0.8
129.26958	0.6
131.07027	100.0
132.07355	1.6
134.05994	2.2
136.07581	2.9
138.09100	0.6
139.03926	1.6
140.07036	1.1
141.05461	7.8
141.09085	1.3
143.07172	0.6
145.04951	1.3
145.07587	4.7
146.05997	3.5
146.08366	2.4
146.09608	0.7
147.04362	0.9
148.07603	0.8
148.11201	1.0
149.02336	0.7
150.05534	0.6
152.07047	3.1
153.01804	1.9
153.05569	0.6
155.03307	1.1
158.09607	1.3
159.06543	1.5
159.10222	1.0
161.10719	0.7
164.07018	3.1
169.08859	0.6
173.07091	26.1
173.10626	1.2
174.07861	4.7
174.11571	0.7
175.12271	1.6
177.07591	0.7
186.09056	0.7
187.05992	2.2
187.08621	0.7
189.10211	11.1
193.13408	0.7
195.09137	0.9
196.09918	3.1
197.10614	0.7
201.10219	1.4
202.10970	5.4
203.11780	4.8
204.10179	0.6
206.08389	4.3
208.09610	1.1
210.11497	0.7
211.12270	4.1
221.10724	1.4
221.12794	0.9
223.08690	1.5
224.09367	2.1
229.13353	2.6
230.11758	1.0
231.02892	0.8
232.12033	1.1
237.10065	0.9
238.10944	1.5
239.11749	5.7
243.08636	0.6
243.11290	1.6
244.12051	15.8
245.12833	0.9
257.00760	1.4
257.12866	10.8
259.02341	0.8
261.12292	0.8
262.13058	7.5
267.11258	12.3
275.01779	1.1
275.13873	7.7
277.03159	0.8
285.00357	0.8
285.09619	3.0
285.12344	19.8
290.12573	9.3
291.13025	0.8
293.14935	2.5
303.01367	6.4
303.13409	28.2
304.08072	2.2
321.11179	2.1
321.14426	58.9
322.09247	1.4
322.14774	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2418
Annotation	11,12-EET
Peak:m/z	Relative Intensity
53.03927	1.4
55.05505	6.7
57.07055	4.0
58.39611	0.9
59.04996	1.2
67.05489	12.6
69.03423	8.5
69.07059	16.8
69.51788	4.7
69.52206	3.1
71.04987	15.2
76.78822	0.9
79.05486	8.5
81.07046	43.2
83.04955	2.7
83.08616	6.1
85.06519	2.9
91.05466	7.6
93.07027	24.4
95.04939	3.9
95.08593	30.4
97.06519	4.9
97.10130	2.6
99.04447	1.4
99.08118	1.7
105.06368	1.6
105.07014	17.0
107.08575	29.7
109.02869	1.3
109.06496	5.4
109.09383	0.9
109.10131	24.8
111.08050	2.3
111.11700	2.2
117.06979	2.7
119.08556	21.5
119.09352	1.9
121.06488	8.7
121.10127	26.1
123.08074	2.4
123.10808	1.5
123.11687	24.1
125.09619	1.5
127.11163	2.6
128.06180	1.1
129.06979	2.3
130.07767	1.0
131.07037	1.9
131.08559	7.0
133.10104	14.1
135.08011	7.1
135.11671	35.8
137.09622	4.5
137.13246	7.3
139.11166	3.5
141.12711	16.9
142.07724	1.3
143.08539	3.5
145.06544	0.9
145.10117	16.5
146.87766	1.0
147.08015	3.1
147.11644	9.9
149.09596	7.8
149.13203	3.2
151.11148	2.5
151.14896	1.2
153.12711	3.9
155.08586	1.3
155.10651	2.3
157.10081	7.9
157.60057	1.0
159.08061	3.3
159.11679	10.6
161.09575	7.9
161.13229	4.1
163.11137	9.1
163.14812	2.3
165.09116	2.7
165.12735	3.3
167.10672	2.1
169.10086	2.4
171.11586	4.9
173.09694	4.5
173.13300	5.2
175.11162	33.8
175.14771	5.4
176.11504	1.3
177.12715	3.9
177.16382	2.3
179.10609	1.6
181.12198	2.3
183.11639	2.1
185.13237	1.1
187.11145	1.2
187.14807	4.8
189.12700	3.5
189.16342	6.5
197.13245	1.8
199.14806	12.6
201.12711	6.3
201.16386	2.8
203.14236	1.7
203.17944	1.8
205.15875	2.2
205.19565	1.4
211.14804	3.1
213.16298	2.9
215.14362	1.8
215.17918	4.1
217.15901	4.5
219.17432	1.4
225.16399	1.1
229.15894	4.8
233.15387	1.9
233.18927	8.4
243.17319	1.1
243.20999	1.4
247.16780	2.2
257.22568	1.9
261.22192	3.4
267.21094	5.7
275.23679	5.4
285.18991	1.4
285.22064	28.1
303.23132	100.0
304.23459	7.9
321.24182	28.0
321.27481	1.4
322.24500	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01865	0.5
55.05508	0.6
57.03428	55.3
58.03772	0.7
59.04997	0.9
61.02927	0.6
67.05473	0.8
69.03419	8.7
69.07048	1.6
69.91329	1.9
70.06596	0.7
71.04973	1.8
73.02915	1.0
81.03403	7.4
81.03848	0.6
81.07056	1.1
81.71195	0.3
83.04964	0.8
85.02888	7.6
85.06524	0.8
86.09666	0.4
87.04475	0.4
89.06018	2.9
90.05525	0.3
91.05493	0.4
93.44579	0.3
95.04985	0.6
95.08594	5.7
97.02882	5.4
97.06533	0.8
99.04437	13.4
99.08067	0.7
101.02341	0.7
101.06039	0.5
105.07053	0.4
107.04956	0.5
109.02864	3.9
111.04402	0.5
112.07599	0.4
113.06013	1.7
113.09633	0.6
114.05471	0.5
115.07593	1.1
117.05478	17.5
120.08117	0.5
121.06506	0.4
121.75220	0.3
123.04412	0.5
123.08060	1.8
123.11738	0.4
124.04736	0.3
126.43953	0.3
127.03902	7.9
129.54478	0.3
131.07019	100.0
132.07373	1.8
136.07571	0.9
138.05481	0.4
139.03897	1.2
141.05446	7.3
141.09073	2.4
144.08076	0.4
145.04912	1.6
147.04385	0.5
153.01808	0.8
153.05469	1.3
159.06529	1.0
159.10191	2.3
160.06055	0.4
177.07605	0.7
181.04877	0.4
187.06001	1.4
206.08372	0.5
208.09715	0.8
215.55682	0.3
232.42848	0.4
239.11855	0.5
243.08578	1.2
243.11026	0.5
257.12836	0.6
267.11307	1.0
275.13873	0.7
285.09619	4.4
285.12390	1.7
303.01282	1.0
303.10236	1.9
303.13675	2.8
321.10947	0.8
321.14423	5.3
322.14328	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72089	0.3
56.96551	1.6
57.03423	0.7
58.99867	1.1
61.02902	0.4
68.98295	0.4
69.03412	1.3
70.99866	0.6
71.60780	0.4
71.90292	0.3
72.15739	0.3
73.02901	0.5
77.00897	1.0
81.03432	0.7
82.99879	1.5
83.04980	0.7
84.96027	0.3
85.01409	0.8
85.02902	2.2
86.99309	0.6
87.04443	0.5
89.00887	0.5
91.02437	0.9
92.59358	0.3
94.99854	0.5
97.01419	1.0
97.02859	1.5
98.77602	0.3
98.97569	1.9
99.04458	0.3
100.00118	0.4
101.00868	14.8
103.02428	4.2
105.00353	0.8
107.01955	0.3
109.02817	0.5
109.03487	0.3
110.97544	0.4
112.99113	0.7
113.00837	4.6
115.02422	9.5
116.07014	0.3
116.98608	1.1
117.03973	3.0
118.01113	0.5
119.01902	40.1
120.02007	1.0
121.01672	0.3
121.03472	2.0
125.00930	0.4
126.98747	0.3
127.02402	1.3
127.03891	0.6
128.98587	0.6
129.00340	0.4
129.03961	3.7
131.00204	0.9
131.01886	17.9
132.01936	0.4
133.03448	29.5
134.03577	0.6
135.05028	3.5
137.00885	0.5
137.02925	7.9
139.03427	0.6
140.07007	0.5
141.03957	1.5
142.03516	0.7
143.01871	7.7
143.05560	0.6
144.99847	1.5
145.01691	0.4
145.03445	9.9
145.04715	0.5
146.99620	0.3
147.01346	1.0
147.05003	9.9
148.05133	0.7
149.02937	2.7
151.04500	4.9
152.03204	0.3
153.03920	0.8
155.01869	11.6
155.05461	0.4
156.02689	1.9
157.03459	6.0
158.08099	0.8
158.99631	0.4
159.01349	0.6
159.05006	15.0
159.06349	0.7
161.02934	12.7
161.06595	1.2
162.03014	0.5
163.02753	1.0
163.04483	2.8
165.06123	1.6
167.01895	0.4
167.03925	0.3
167.05479	0.3
168.05431	0.4
168.99792	3.5
169.03415	1.8
171.01439	1.5
171.05011	13.3
173.02933	13.9
173.06531	2.6
175.01064	0.3
175.03090	0.4
175.04507	4.2
177.00801	0.5
177.02393	1.4
177.04497	0.6
177.06050	10.2
179.01817	0.5
179.03995	0.7
179.05458	0.3
181.03517	0.3
183.01425	0.3
183.04996	3.7
185.02931	2.8
185.06580	2.4
187.00859	8.9
187.02594	0.6
187.04410	2.0
189.00752	0.6
189.02422	4.5
189.06058	7.7
190.06377	0.4
191.02357	0.5
191.03993	5.2
191.07605	1.0
193.01920	0.3
193.03601	0.9
195.05067	0.9
195.07066	5.1
196.99281	2.6
197.00977	0.3
197.01273	0.3
197.02916	2.1
197.04533	0.3
197.06619	0.9
198.06197	0.3
199.00868	0.4
199.04494	1.1
201.00752	0.4
201.02538	1.4
201.04414	0.4
201.06050	5.4
203.03972	4.8
203.07628	1.3
204.46371	0.3
205.01936	3.6
205.03738	0.4
205.05568	1.1
207.03371	0.5
207.05080	0.7
211.04462	1.4
213.06046	3.2
215.00345	11.6
215.03656	0.5
215.07594	1.2
216.00554	0.5
217.01965	0.5
217.05565	0.6
218.06360	0.6
219.01665	0.6
219.03824	2.2
219.07104	16.1
220.07146	0.6
221.05034	18.3
222.05229	0.7
223.04781	0.6
225.06104	1.5
229.01898	5.3
231.03401	1.0
231.07111	14.4
232.07234	0.5
233.01337	1.2
233.05051	7.2
233.08644	2.7
234.05029	0.4
235.06464	0.8
237.02734	1.0
237.06226	0.3
239.06131	0.4
240.07697	1.5
240.57942	0.4
243.07147	1.7
244.07736	0.4
245.05048	7.2
245.07600	0.5
245.08713	0.6
247.02951	23.9
248.03143	1.3
249.04482	1.1
249.08243	0.5
251.06165	0.3
255.07065	4.3
259.06631	1.9
261.04712	0.9
261.08185	17.8
262.08249	0.7
263.06082	0.9
265.04025	4.1
270.04514	0.9
273.08099	4.0
279.05750	1.4
279.09207	24.6
280.09473	0.8
289.03983	4.5
291.09048	0.7
302.10803	0.7
303.05704	0.5
303.08957	0.6
307.05011	0.8
320.59973	0.3
321.06714	5.7
321.10211	100.0
321.60162	0.6
322.06931	0.6
322.10397	3.3
339.11111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88703	1.6
65.68786	1.6
69.03418	3.0
70.28079	6.5
75.85319	1.8
81.03396	2.2
85.02886	7.3
90.05619	2.0
97.02871	2.5
98.16293	1.9
98.21485	2.0
98.97592	3.3
101.00864	16.7
103.02444	6.8
111.05563	4.9
113.00868	4.2
114.05527	2.4
115.02417	9.0
116.98638	2.8
117.04015	2.7
119.01904	51.6
120.01993	2.7
121.01624	2.1
121.03489	5.3
123.05563	2.1
127.02359	1.7
127.03906	2.8
129.04002	4.2
131.01892	18.1
133.03450	23.7
137.02960	10.2
141.03964	2.1
141.06549	9.5
143.01855	9.3
145.03433	12.2
145.05090	2.1
147.01381	3.3
147.05008	14.3
149.02957	5.1
151.04489	5.4
153.01848	2.5
155.01849	8.6
155.71637	1.7
156.02718	2.3
157.03444	7.3
159.05011	9.5
159.06291	1.8
159.07668	5.7
161.02963	10.7
163.04552	2.8
165.06212	2.4
168.99825	6.9
169.03427	13.9
171.04945	10.5
172.74550	1.8
173.02933	20.8
173.06779	2.6
175.04520	7.1
177.06052	11.1
183.04991	5.3
185.02942	6.6
185.06613	2.8
187.00874	13.8
187.04436	11.6
189.02463	8.0
189.06044	5.5
191.04012	13.5
195.07159	6.8
196.86507	1.8
196.99214	2.7
197.03065	2.5
197.06592	2.4
199.04463	3.3
201.02493	8.1
201.06079	2.6
203.04045	4.7
205.01888	4.4
205.05563	5.3
213.02400	3.4
213.06029	3.8
215.00313	17.1
215.07573	8.4
216.00549	2.2
217.05641	2.5
219.03508	18.5
219.07080	17.5
221.05013	14.9
223.06578	8.6
229.01871	7.2
231.03436	5.5
231.07063	17.9
233.05011	12.4
233.08682	4.3
241.05606	2.5
245.05145	9.0
247.02969	29.5
248.03319	2.0
249.04504	5.0
249.08247	9.5
255.07016	3.3
259.06619	13.3
261.04810	1.7
261.08194	8.6
265.04022	5.1
273.08173	3.5
275.05841	3.7
277.07751	10.6
279.06302	2.4
279.09198	10.9
289.04028	4.8
303.05472	10.4
303.09277	2.2
303.12994	3.9
321.06314	13.9
321.10321	100.0
322.10278	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	321.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06967	0.5
61.02911	0.6
61.51470	0.5
63.49331	0.5
69.03407	1.3
70.99859	0.7
71.60707	0.9
71.61090	0.8
81.04532	0.6
82.05335	0.6
82.99823	0.9
83.04954	0.5
85.02877	2.3
93.35451	0.6
98.97565	0.8
101.00859	7.5
103.02423	3.2
105.00309	0.6
105.71906	0.6
111.05543	2.0
113.00856	2.0
115.02410	4.1
117.04006	1.0
119.01905	23.6
121.03445	1.8
123.05521	2.6
127.02394	0.7
127.03928	1.4
129.03937	3.4
131.01889	10.1
133.03453	14.4
135.05003	1.1
137.02936	4.2
141.03940	1.0
141.06564	6.0
143.01852	3.2
143.28874	0.6
145.03439	7.4
147.05009	8.2
149.02946	2.6
151.04485	2.7
153.01764	1.4
155.01877	4.6
157.01614	0.7
157.03461	4.1
158.08072	0.8
159.05002	6.1
159.06250	0.9
159.07567	3.0
161.02946	5.5
163.04552	1.1
165.06056	1.5
168.99843	2.2
169.03456	7.8
171.01389	0.8
171.04961	5.7
173.02930	8.6
173.06619	0.8
174.11313	0.7
175.04453	3.6
177.06049	5.0
179.04062	0.6
183.04996	2.6
185.02965	2.1
185.06586	1.7
187.00850	5.8
187.04475	5.1
189.02354	2.7
189.06097	3.6
191.03882	3.2
195.07089	3.4
196.99275	0.8
197.02905	1.5
197.06676	1.0
199.04402	1.6
201.02408	2.2
201.06020	2.9
203.03996	2.7
205.01913	1.7
205.05489	3.8
213.06050	2.0
215.00343	6.5
215.07610	3.5
217.05516	1.0
219.03477	2.4
219.07109	12.1
221.05049	6.8
223.06590	3.9
225.06012	0.9
229.01872	2.7
231.03520	1.2
231.07117	12.2
233.04985	5.7
233.08675	1.4
235.06502	0.7
243.07150	0.7
245.05029	5.0
245.08827	1.0
247.02988	10.7
247.05635	0.8
247.06592	0.8
248.03000	1.4
249.04362	0.9
249.08144	3.6
255.07162	3.3
259.06650	6.0
261.04568	1.1
261.08160	5.9
265.04047	2.3
273.08173	2.2
275.06055	1.5
275.09482	0.8
277.07651	6.1
279.09216	6.1
285.04541	0.7
285.12350	0.9
289.04031	2.8
303.05536	5.1
303.09283	1.4
303.12866	0.9
307.04852	0.7
321.11087	100.0
322.06625	0.8
322.09982	3.0
339.11041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46896	1.3
53.03946	1.5
55.01855	2.1
56.96546	7.1
57.03422	6.4
60.04498	2.4
61.02908	6.2
67.05490	3.9
69.03126	1.5
69.03427	17.6
69.07063	100.0
70.03797	6.9
70.06587	23.3
70.07394	2.5
71.04978	1.7
72.93784	2.1
73.02895	4.5
79.01833	1.4
79.05456	2.1
81.03417	9.8
81.07017	1.8
84.04491	2.7
84.96022	2.2
85.02897	48.0
86.09706	2.5
87.04431	2.5
90.94817	1.3
91.03964	2.9
95.04960	4.1
97.02885	16.7
97.06470	1.8
98.03215	1.6
98.21373	2.2
98.97581	15.6
99.04449	3.7
101.75461	1.3
109.02866	62.3
110.07108	2.0
110.97525	2.0
111.04424	3.0
112.07603	26.7
113.05993	2.8
114.05524	1.8
116.07080	3.0
116.98611	13.9
123.04415	2.4
127.03905	15.5
128.98592	4.8
131.00183	1.6
134.99628	7.3
137.05945	2.0
139.03905	2.7
140.07053	52.9
141.04364	3.1
141.05455	57.9
141.07184	2.4
143.00089	2.0
144.95894	1.8
145.04950	9.6
146.99590	3.8
150.96887	1.7
153.00706	1.8
153.01833	20.3
154.02133	2.1
158.08116	83.6
158.99600	3.8
159.08424	2.0
161.01216	3.6
162.99086	1.7
170.99678	2.7
173.12799	3.2
177.00713	7.7
180.08698	1.8
182.08101	8.7
189.00696	2.7
200.09189	7.4
207.01678	1.6
207.06638	1.7
216.97940	1.4
218.02371	1.5
219.01704	4.3
224.09152	2.9
229.03540	1.5
234.98955	6.8
237.02808	11.6
247.04718	6.3
247.54904	2.1
258.55481	1.6
279.01367	2.1
279.04184	2.5
279.07355	9.1
297.08676	1.7
302.11960	2.5
303.01245	3.2
303.04816	1.8
320.07202	1.6
320.13361	3.1
321.08691	8.2
321.14322	2.4
323.06488	1.5
328.63126	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01855	1.0
56.96560	0.5
57.03432	2.2
60.04508	0.8
61.02924	2.2
61.98991	0.5
62.21316	0.6
65.53419	0.5
67.05493	3.6
69.03424	7.2
69.07059	86.3
70.02946	2.3
70.06586	16.4
70.07384	1.3
70.84190	1.7
71.04993	1.3
71.23354	0.6
71.56466	0.6
73.02908	1.4
77.97518	0.6
79.05478	0.9
81.03399	3.6
83.04968	1.2
84.04507	0.8
84.08140	1.2
85.02895	23.9
86.06092	0.6
91.13425	0.5
94.06525	1.4
95.04971	4.6
97.02881	15.2
97.06534	2.3
98.97583	1.7
99.04457	2.2
103.03957	1.2
109.02877	4.8
110.11478	0.5
112.07593	28.0
113.05969	1.8
114.05518	1.1
116.07079	4.4
116.98598	0.9
117.05508	0.8
122.06007	0.7
125.02285	0.8
126.02704	0.7
126.05489	1.9
127.03904	6.2
131.07079	1.2
133.06552	0.5
138.05547	0.7
139.03946	0.9
140.07045	40.1
141.05447	1.1
141.07355	0.8
143.03407	0.7
145.04976	2.8
153.01778	1.5
154.08519	0.8
156.06529	0.8
157.05051	0.7
158.08104	100.0
159.08435	2.2
177.00792	0.8
181.76039	0.5
182.08101	12.2
200.09151	14.3
206.08121	0.8
224.09154	4.2
231.94077	0.6
236.09068	0.9
237.02744	0.6
254.10185	0.7
266.10208	2.6
275.13474	0.8
276.09317	0.6
279.01541	0.7
284.11081	0.7
288.05753	1.1
297.04956	0.7
302.12326	1.4
303.01303	0.9
303.13647	0.8
320.08444	0.9
320.13272	2.4
321.06168	0.7
321.14191	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.7
56.96555	15.0
57.03425	13.0
58.02262	5.2
61.02922	46.9
69.03424	30.8
69.87006	24.8
69.87412	12.8
71.04977	10.9
73.02927	10.1
79.01836	6.6
81.03401	9.4
83.04967	10.1
85.02886	64.2
97.02881	31.0
98.97574	18.1
99.04419	7.2
101.00849	17.3
109.02820	13.2
111.05527	10.2
116.98577	6.6
119.01895	49.9
121.01620	9.5
121.02843	10.0
127.03906	27.2
131.01895	26.7
133.03441	21.9
137.02916	8.1
138.05428	9.3
139.03876	7.8
143.01869	18.3
145.03429	16.0
145.04932	13.3
146.99596	9.5
149.04732	6.5
153.01830	49.8
154.02051	6.0
155.01839	16.7
156.06618	8.5
157.03418	14.8
157.06026	11.7
161.02966	28.1
169.03481	14.8
171.04948	13.0
173.02980	33.4
175.04523	9.0
185.02930	12.3
187.04494	14.1
189.02429	8.2
189.06004	9.6
191.03957	7.9
199.00906	8.6
199.04552	7.1
203.03960	16.4
214.06139	7.1
217.01871	10.0
218.53699	6.0
219.03355	7.9
221.05086	18.1
223.06583	7.2
227.03922	8.0
228.03949	9.1
229.04686	6.9
241.03719	6.9
245.05289	7.6
259.06464	14.5
294.09622	6.5
301.04187	6.9
301.11496	16.6
319.04498	14.4
319.07712	100.0
319.13037	12.1
337.09906	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	319.2626
Annotation	Methyl arachidonate
Peak:m/z	Relative Intensity
53.03930	1.1
55.01859	1.5
55.05252	1.4
55.05501	17.1
57.06819	0.9
57.07064	10.7
59.04965	1.6
62.72823	0.7
65.03934	1.1
67.05492	26.3
69.03402	3.7
69.07056	31.7
69.54696	8.3
71.04964	2.9
71.08613	2.8
79.05040	1.5
79.05474	15.1
81.07042	100.0
82.07355	2.8
83.04950	4.3
83.08605	14.1
85.06532	18.1
91.05468	7.1
93.07027	35.9
95.04958	5.4
95.08589	78.8
96.08871	1.3
97.06525	5.1
97.10157	9.4
99.04426	2.7
99.08071	2.7
101.06007	2.1
105.07012	15.5
107.04906	1.5
107.08573	47.1
108.08913	1.8
109.02851	3.6
109.06497	7.9
109.10135	48.1
110.10462	2.1
111.08051	3.2
111.11704	4.5
113.06027	0.9
113.09613	3.6
115.07531	1.4
117.06972	2.0
119.08557	13.7
121.06517	1.4
121.10124	30.6
122.10452	1.2
123.08043	6.0
123.11687	36.1
125.09579	1.3
125.13256	1.0
125.36377	0.9
127.07545	8.5
127.11133	3.0
129.07013	1.1
131.08540	3.9
133.10100	13.1
135.07983	2.9
135.11668	32.6
137.09592	3.5
137.13235	44.9
138.13515	1.6
139.03862	1.1
139.07442	1.9
139.11185	2.0
143.08565	1.3
145.10092	4.2
147.11662	14.4
149.09578	3.8
149.13228	23.7
149.20953	0.9
151.11139	11.4
151.14774	3.2
153.01862	1.1
153.09100	2.6
153.12640	1.8
155.10619	4.0
157.10075	2.5
159.11656	4.5
161.09590	1.1
161.13202	5.7
163.11151	2.4
163.14804	8.5
165.09035	1.6
165.12741	6.1
165.16354	1.2
167.10645	3.3
167.14330	1.1
171.11635	2.5
173.13243	2.9
175.11122	2.3
175.14813	2.4
177.12746	4.9
177.16359	6.5
179.10594	2.6
179.14288	1.5
179.17912	2.5
181.12271	4.5
185.13219	1.3
187.14703	1.9
189.12695	2.3
191.17912	7.8
193.12184	4.1
193.15796	1.2
195.13771	4.3
199.14763	1.8
201.16368	1.0
203.14261	2.0
203.17953	2.4
205.19496	6.2
207.13786	3.8
209.15352	2.8
209.18945	5.9
213.16370	1.9
215.17929	1.6
219.21033	1.5
221.15277	1.6
223.16835	1.0
227.17900	1.8
227.19875	1.8
235.16911	2.0
237.18471	1.6
245.18944	1.3
247.24115	2.7
249.18512	2.7
263.20038	9.6
265.25217	3.1
273.22110	1.4
283.20584	1.4
283.23804	1.7
301.21561	3.5
301.25198	6.5
304.04611	1.1
313.12024	1.0
319.07034	6.1
319.22778	6.6
319.26248	92.1
320.26520	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	319.0442
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
55.01864	0.3
57.03426	0.2
65.03935	0.2
67.01858	0.3
67.05483	0.2
68.99777	2.6
69.03410	0.3
69.07044	0.2
69.81728	0.9
71.04967	0.3
79.01847	0.2
79.05465	0.3
81.03394	0.5
81.07037	0.2
83.05004	0.2
85.02890	0.2
87.36656	0.1
91.05471	0.3
93.07021	0.2
97.02867	0.5
98.20872	0.2
103.05459	0.3
105.03367	0.2
105.07034	0.2
107.01311	0.2
107.04974	0.2
109.02860	1.7
111.00787	3.8
111.04422	0.5
113.05960	0.4
115.05447	0.2
119.04922	0.1
119.08536	0.1
121.02852	0.4
121.06492	0.5
122.71992	0.1
123.04424	0.2
124.07596	0.7
125.02341	0.4
126.03114	0.4
127.03919	0.6
133.02850	0.3
133.06461	0.3
134.56717	0.1
137.02318	3.4
137.03401	0.2
137.05971	0.2
138.03000	0.1
139.03885	0.6
143.03409	0.2
147.04385	0.4
149.02299	0.2
149.05898	0.7
151.03912	0.7
152.00951	0.1
153.01808	18.0
153.05421	0.4
154.02103	0.4
157.08626	0.2
157.09996	0.1
161.02332	0.3
161.05948	0.6
165.01819	5.4
166.02632	0.7
171.03036	0.2
171.04420	0.6
175.03859	0.2
177.05473	1.4
179.03371	2.2
183.02856	1.7
183.04335	0.2
189.01746	0.3
189.05440	1.8
191.03305	0.2
193.01306	0.5
193.05042	0.2
194.02055	0.2
195.02872	1.0
199.03870	0.6
203.03343	1.1
207.02869	0.7
209.04488	0.2
217.04945	6.0
218.05299	0.1
219.02867	0.4
221.04482	0.6
227.03313	0.6
229.04945	0.4
231.02895	0.5
232.03595	0.2
235.02312	0.4
235.05994	0.5
239.01828	0.2
244.03668	0.5
245.04430	7.9
246.05040	0.2
255.02864	0.9
263.05475	1.2
272.03143	0.4
273.03900	6.9
274.04254	0.2
283.02356	0.2
290.04153	2.0
291.04916	0.3
301.03424	1.6
319.04437	100.0
320.01813	0.1
320.04794	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	318.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01855	0.4
55.05490	0.4
57.03425	1.6
61.02924	1.3
65.03281	0.2
67.05481	0.6
69.03420	3.5
69.07057	0.5
70.06553	0.2
71.01049	0.6
71.04967	0.5
72.08146	0.4
73.02893	0.7
79.05470	0.4
81.03400	1.6
81.07030	0.4
82.06578	0.6
85.02419	0.4
85.02892	6.3
86.09667	0.9
87.04443	0.7
91.03941	0.6
93.07022	1.1
95.08601	1.5
96.04491	2.9
96.08106	1.9
97.02870	2.5
97.05255	1.5
97.06505	0.9
99.04437	0.6
100.07584	1.0
101.29632	0.2
108.08121	0.2
108.45529	0.2
109.02864	0.9
109.06466	0.2
110.06027	5.2
110.09669	3.3
111.08072	0.8
113.05974	0.5
120.08079	0.6
121.06483	1.0
125.08302	0.5
126.09135	7.2
127.03880	1.7
128.10667	0.6
137.05884	0.2
138.09117	19.0
139.03894	0.3
139.07521	1.0
139.09387	0.6
145.04948	0.8
152.10649	0.3
156.10175	100.0
157.10535	2.8
168.10165	1.1
180.10168	0.6
198.11234	0.8
222.11270	0.4
240.50768	0.2
288.10519	1.4
301.11841	0.3
318.11774	0.5
318.15363	3.6
319.12280	0.5
319.15988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01865	1.7
55.05503	0.8
56.96558	4.6
57.03430	2.4
57.07058	0.3
59.04995	0.3
60.37695	0.4
61.02918	3.8
62.31101	0.3
62.35446	0.3
64.80264	0.3
66.30450	0.3
67.05479	0.6
68.05035	0.8
69.03423	8.2
70.03745	0.5
70.06586	0.8
71.04991	1.4
71.23927	0.3
71.60899	0.4
72.08150	0.7
73.02905	2.9
77.00880	0.4
79.05476	0.7
79.95847	0.3
81.03415	3.0
82.06591	0.5
83.01318	0.4
83.04982	0.9
84.04484	1.5
84.08127	0.8
84.96009	0.4
85.02895	15.3
86.06007	0.5
86.09685	1.0
86.34326	0.3
87.04453	1.5
91.03958	0.7
93.85957	0.3
95.04977	0.4
95.06075	0.5
97.02879	7.1
98.03188	0.4
98.97556	3.7
99.04445	1.6
101.00877	1.3
107.04929	0.9
109.02882	2.2
110.02376	0.5
110.06030	6.8
110.97557	0.5
111.04437	1.1
113.00880	0.4
113.03470	1.2
114.05542	0.5
115.02414	0.7
115.03918	0.6
116.98624	3.5
119.01907	6.5
119.04942	0.4
119.60442	0.3
120.02048	1.2
121.01646	1.1
121.02858	0.4
121.06477	0.8
124.03880	0.4
127.03899	5.5
128.04277	0.5
128.98578	0.6
131.00130	0.7
131.01891	2.6
132.01924	0.4
133.01674	0.5
133.03458	2.3
134.03560	0.4
134.05914	0.5
134.99634	2.3
135.03238	0.5
136.07562	2.3
137.02919	1.1
137.05974	1.7
137.07919	0.9
138.05486	100.0
138.98851	0.4
139.02560	0.4
139.03859	1.0
139.05824	1.4
140.01393	0.4
140.98604	0.4
141.03964	0.4
142.03551	0.4
143.00108	0.4
143.01881	2.1
143.03398	0.4
144.01956	0.5
144.98080	0.5
145.01677	0.5
145.03467	3.0
145.04944	3.0
146.03598	0.4
146.99664	1.7
147.03186	0.6
147.04945	1.1
149.01161	0.9
149.02931	0.9
149.04779	0.5
151.03856	0.4
151.23094	0.4
152.05757	0.4
152.07040	0.4
153.00694	0.6
153.01799	3.4
153.06445	0.8
154.08585	0.8
155.01834	1.4
155.05696	0.4
155.09010	0.5
156.06537	58.9
157.03430	1.3
157.06888	0.5
158.99632	0.9
159.05014	0.5
161.01222	0.9
161.02930	4.3
161.06635	0.9
162.03040	0.6
162.06602	0.3
162.99115	0.4
163.02722	0.9
163.04536	0.6
166.08575	0.5
169.03345	0.7
170.99609	0.4
171.04965	1.2
172.95192	0.5
173.01450	0.5
173.02942	2.9
173.06631	0.8
174.00691	0.6
174.03030	0.9
175.00859	1.1
175.02925	0.6
175.04427	1.7
177.00824	1.7
177.04199	0.8
177.05959	0.4
178.01173	0.6
179.00632	0.5
183.05002	0.7
185.02911	1.5
187.04520	1.1
189.00787	0.6
189.02419	1.2
189.04065	0.4
189.05981	1.2
190.06206	0.6
190.98679	0.6
191.02133	0.6
191.03908	0.4
191.05713	0.5
191.07634	0.4
193.00153	0.7
193.01782	0.6
195.05132	0.7
196.09604	0.5
197.03056	0.6
199.04475	0.6
199.08194	0.5
200.06099	0.5
201.00705	0.4
201.06163	0.9
203.03935	1.7
203.07639	0.6
204.02579	0.6
205.05540	0.5
209.03035	0.6
212.07251	0.8
215.04221	0.8
215.10143	0.6
217.01970	2.2
217.05411	0.7
219.01877	1.7
219.05171	0.5
220.02045	0.6
221.01588	0.6
221.05080	3.2
223.04698	0.7
224.04803	0.6
225.06068	0.5
226.06114	0.5
227.04013	0.7
227.06981	0.4
227.57651	1.4
228.07463	1.4
229.06059	1.4
231.03429	0.7
231.07089	0.6
235.03001	2.0
236.07256	0.7
236.57779	0.8
237.02805	0.8
237.07883	1.5
245.04932	1.7
247.06631	1.6
252.02725	0.5
253.02278	1.5
257.05090	0.7
259.03027	0.7
259.06613	1.0
275.05975	1.1
276.02966	0.4
276.06961	0.4
277.01080	0.8
277.04056	1.0
278.01321	0.4
286.97168	0.5
291.09171	0.6
292.09375	0.6
293.09442	0.5
295.03198	2.3
296.03134	0.6
301.04007	0.5
305.10931	0.4
311.09692	0.4
318.07288	0.5
318.11383	3.9
318.14597	0.8
319.08704	0.8
319.12524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
55.01866	1.6
55.05494	1.6
57.03442	1.4
61.02902	3.2
67.05493	2.1
69.03415	5.4
69.58244	3.2
69.58675	3.9
73.02910	1.4
79.05499	1.3
81.03408	2.8
83.04991	1.4
84.04488	1.1
85.02894	19.9
86.09692	1.6
86.43830	0.9
87.04449	1.8
90.04299	0.8
91.03929	1.2
91.11623	0.8
93.03359	1.0
93.07038	1.0
95.04958	25.3
95.08593	2.6
96.08106	2.5
97.02890	6.2
109.02871	3.0
110.06056	1.8
110.09676	2.0
111.04436	2.2
111.08080	1.3
112.26647	0.9
113.05979	1.1
117.96423	0.9
121.02856	16.4
127.03889	4.4
138.05493	16.4
138.09108	10.5
139.03886	100.0
143.11836	0.9
145.04977	3.5
153.01775	2.1
154.02153	2.2
156.06548	11.6
156.10181	34.3
156.11467	1.7
157.04950	3.9
159.07605	1.0
173.12779	0.8
180.06485	1.3
200.01308	1.1
275.48303	0.9
283.08313	1.8
318.06699	2.1
318.15338	1.8
319.13474	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.138
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
53.03930	1.5
55.01860	3.5
55.05504	1.3
63.37725	0.7
63.51199	0.6
65.03922	1.7
67.05493	2.9
69.03422	8.0
69.60545	3.2
69.60973	3.1
71.04986	11.0
79.05483	3.1
81.03403	5.3
81.07043	3.4
85.02887	2.8
85.06534	3.5
91.05466	23.1
93.07030	3.7
94.04153	2.5
95.04961	8.9
95.08604	2.8
97.02872	2.5
98.20683	0.9
99.04440	1.6
103.05439	4.2
105.07001	3.2
107.04910	4.2
109.02869	5.7
109.06482	3.3
109.10127	1.8
111.04426	1.5
113.06001	2.5
115.05458	1.3
117.06993	1.7
119.04929	14.2
119.08579	2.2
121.06486	12.6
122.03647	6.5
123.04428	12.1
123.08060	1.2
127.03909	3.2
127.07538	6.1
128.06209	4.5
129.06990	18.3
131.04892	4.3
131.07021	1.6
132.05685	1.2
133.06502	1.3
134.03630	1.2
135.04420	4.6
135.08032	1.3
136.05177	2.3
137.05960	100.0
138.06300	2.9
141.06999	2.0
143.08525	0.9
145.06506	2.8
145.08589	16.9
146.03616	1.0
147.04399	25.6
147.08038	8.0
149.05966	25.0
150.06752	5.4
151.03954	2.2
151.07529	57.2
152.06194	2.0
152.07899	2.0
153.01782	2.6
153.05452	1.1
153.06940	1.5
153.12717	1.3
155.07138	3.9
155.08511	3.4
157.06467	12.2
160.05237	1.7
161.05939	6.1
161.09604	0.9
163.03908	1.2
163.07590	4.5
165.06981	13.5
167.07150	1.5
167.08557	6.1
168.05733	1.1
169.06459	2.5
175.07521	41.2
176.07864	2.1
177.09053	1.1
178.07744	5.2
179.08498	1.7
181.06494	3.0
182.07242	3.0
183.08061	4.1
187.06090	1.4
189.09094	2.5
190.02505	1.1
192.09460	0.9
193.06535	8.4
193.08449	6.4
193.10155	4.5
195.08034	6.3
197.05942	4.9
197.09586	1.0
198.06741	1.6
202.07829	1.1
203.08702	1.8
206.07222	1.4
207.08018	1.3
210.06708	7.1
211.07521	10.5
212.08157	2.1
213.09076	7.8
219.08067	1.0
221.05971	10.5
221.09512	7.3
222.06305	1.3
223.07457	4.4
224.08282	1.6
225.05531	1.9
225.09041	7.3
227.06982	3.1
227.10641	3.0
234.06815	1.7
238.06126	4.3
238.09908	2.0
239.06973	10.0
239.10674	1.9
240.07605	2.0
241.08549	8.3
242.09076	1.3
243.02765	1.2
243.10188	1.6
246.01743	1.6
248.08173	1.1
249.09206	4.9
250.28169	0.9
253.08562	12.3
253.12257	9.4
255.06494	3.4
255.10133	3.0
256.07257	1.7
257.00748	2.1
258.08728	5.5
263.10593	1.3
267.10110	3.9
270.08875	3.9
271.09604	29.6
271.12567	1.9
272.10052	1.6
273.11157	18.6
281.11725	3.6
287.12701	1.7
299.12839	20.0
300.13007	1.4
301.89581	0.9
302.00531	8.6
303.00961	1.0
317.02878	22.4
317.06497	4.6
317.10861	3.7
317.14212	14.6
317.21179	1.2
318.03220	1.7
318.14182	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.138
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
50.53310	0.6
52.09153	0.6
52.29366	0.6
53.03924	1.4
55.01861	3.7
55.05489	2.0
57.03431	0.9
65.03928	2.1
67.05492	4.6
68.99797	0.6
69.03418	7.0
69.41628	5.8
71.04989	4.3
73.02881	0.7
79.05484	4.0
81.03410	5.9
81.07040	7.1
83.04965	1.0
85.02895	2.7
85.06540	4.2
91.05467	22.4
92.05777	0.8
93.07033	5.1
94.04169	2.2
95.04960	8.7
95.08582	2.9
97.02863	2.5
97.06554	0.8
98.21510	1.4
99.04438	1.5
103.05437	4.8
105.03382	0.9
105.07008	5.0
107.04930	4.9
107.08585	1.9
109.02859	7.6
109.06510	5.5
109.10141	4.3
111.04468	1.2
111.07949	0.6
111.11665	0.7
113.05988	1.5
115.05447	1.2
117.07003	2.1
119.04924	12.1
119.08571	2.4
121.02879	1.3
121.06490	11.0
121.10133	1.4
122.03625	5.6
123.04417	12.0
123.08018	0.9
124.05176	0.9
125.05991	1.2
127.03900	3.5
127.07554	4.1
128.06194	3.7
129.06990	15.5
129.07899	1.2
130.07372	0.6
131.04918	3.6
131.08560	1.9
133.06500	0.9
133.10126	1.3
134.03648	1.2
135.04410	5.4
135.08034	2.2
135.11697	1.0
136.05180	1.8
137.05960	100.0
138.06306	3.1
141.05463	1.7
141.06955	1.1
143.04872	1.0
143.08553	0.8
145.06497	3.2
145.08585	6.6
145.10121	1.1
146.03630	1.3
147.04393	15.5
147.08029	6.2
149.05963	24.8
149.09491	1.0
150.06761	4.2
151.03879	2.4
151.07526	57.0
152.06157	1.2
152.07881	2.1
153.01819	6.6
153.05463	1.4
153.06949	1.6
154.02121	1.1
154.07745	1.0
155.02287	3.3
155.07016	5.1
155.08525	3.0
155.10603	1.4
157.06467	9.2
160.05180	1.5
161.06004	4.4
161.09622	1.4
162.06757	0.7
163.03906	1.4
163.07516	5.9
163.11111	0.9
165.05547	1.4
165.06978	13.4
166.07520	0.9
167.07034	2.1
167.08549	5.3
168.05759	0.6
169.06505	2.0
173.08089	1.2
173.09499	0.8
174.06778	1.0
175.07530	38.2
176.07883	2.0
177.05507	0.9
177.06921	0.9
177.09125	1.1
178.07704	4.5
179.08530	1.4
181.06425	1.9
181.08675	0.8
181.10133	0.9
182.07239	3.4
183.08032	3.6
185.09534	0.8
187.05995	1.2
187.07564	1.3
189.09062	3.7
191.10693	1.1
192.09357	0.9
193.06688	5.6
193.08275	4.6
193.10040	5.2
194.07179	1.0
195.08034	7.3
197.05966	4.5
197.09517	1.5
198.06729	1.0
202.07817	1.4
203.08662	1.0
205.06496	0.8
206.07227	1.1
207.08003	1.0
209.06075	1.2
209.09555	1.1
210.06718	6.0
211.07509	9.4
212.08177	0.7
213.05417	0.9
213.09099	6.7
221.05968	10.4
221.09532	6.7
222.06480	1.1
223.07535	3.7
224.08185	1.4
225.05507	1.7
225.09018	6.4
225.10724	0.6
226.06268	0.6
227.07025	1.8
227.10693	2.7
228.04218	0.8
233.00443	0.9
234.99149	1.3
235.07472	1.4
237.05519	1.0
237.09032	0.7
238.06255	3.3
238.09818	1.4
239.06989	8.7
239.10663	1.9
240.07651	2.5
241.08553	6.1
242.09297	1.0
243.10274	1.0
249.09123	2.9
253.08554	11.2
253.12238	5.6
255.06482	1.9
255.10165	1.8
256.07266	2.5
257.08179	0.8
257.11679	1.1
258.08902	4.1
267.10001	1.4
270.08847	2.8
271.09607	30.2
271.13037	1.3
272.09985	1.8
273.11188	20.2
274.11188	0.8
281.11661	4.0
285.11340	1.2
287.12659	0.7
289.03705	0.7
299.09314	2.0
299.12769	24.8
300.12848	1.6
302.00693	1.0
302.04184	2.4
317.02875	5.0
317.06558	15.3
317.10468	2.3
317.13873	14.9
317.21170	1.5
318.03433	1.0
318.06757	1.3
318.10608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1379
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
51.02345	1.0
52.92238	0.9
53.03930	1.8
55.01864	2.8
56.52544	0.9
57.03421	1.3
58.79602	1.0
59.04971	1.0
65.03948	1.2
67.05498	5.6
69.03420	9.8
69.29916	7.2
69.30328	2.8
71.04984	13.8
78.80351	1.1
79.01859	1.1
79.05462	3.1
79.19087	1.1
81.03405	8.2
81.07009	2.7
83.04944	1.1
85.02889	2.8
85.06527	4.6
91.05463	19.2
92.05824	1.2
93.07037	2.4
94.04174	2.5
95.04955	12.0
95.08572	1.1
97.02869	7.1
97.06532	1.0
99.04417	2.5
99.08066	1.3
103.05452	4.1
105.07011	3.6
107.04929	4.4
109.02886	4.8
109.06503	4.4
109.10144	3.8
113.05984	2.5
117.06994	2.4
119.04929	15.6
119.08549	1.7
121.02863	1.2
121.06496	14.6
122.03621	5.4
123.04411	9.4
125.05971	1.2
127.03912	5.0
127.07552	7.3
128.06195	4.2
129.07001	14.8
131.04907	3.6
131.07002	2.7
132.05698	1.2
133.06509	1.8
133.10144	1.1
134.03648	2.1
135.04356	4.9
135.08043	1.6
136.05084	1.6
137.05959	100.0
138.06271	2.8
141.05484	2.1
145.06519	2.3
145.08580	19.6
147.04399	18.4
147.08023	8.4
149.05963	24.0
150.06773	5.2
151.03931	1.4
151.07523	56.8
152.06241	1.4
152.07828	1.4
153.01788	4.5
153.06973	2.3
154.02092	2.6
155.02217	1.6
155.07014	6.9
155.08430	2.6
155.10591	1.8
157.06456	9.7
158.97409	2.4
160.05244	1.8
161.05969	5.0
163.07489	3.8
165.05550	1.8
165.06944	12.9
166.07658	1.2
167.07184	1.8
167.08565	5.6
169.06474	2.9
173.05945	1.2
175.07523	35.3
176.07979	1.1
176.98494	1.4
177.06909	1.3
177.09079	1.1
177.12682	1.0
178.07700	4.8
179.08479	2.0
181.06448	2.2
182.07217	2.1
183.08040	3.8
187.05878	1.6
187.07494	1.1
189.09062	1.8
192.09236	1.0
193.06668	6.2
193.08417	5.7
193.09952	4.9
195.08040	8.2
197.05969	3.8
197.09622	1.3
198.06642	1.9
203.08572	1.4
206.07242	1.8
209.06064	1.4
210.06728	8.2
211.07498	10.4
212.08081	1.7
213.09076	7.2
221.05986	9.1
221.09534	8.5
223.07500	4.1
224.08221	1.7
225.05431	2.2
225.09132	5.7
227.07123	2.3
227.10661	2.1
231.08009	1.2
234.99036	4.1
235.07503	1.5
238.06241	4.3
239.07018	8.7
239.10567	2.4
240.07574	1.8
241.08549	7.9
246.01605	1.8
249.09044	4.1
253.08554	11.3
253.12263	8.9
255.06477	1.7
255.10115	2.8
256.07211	2.0
257.00378	1.2
258.08820	3.7
263.10623	2.0
267.10297	2.4
270.08771	3.2
271.09610	30.0
271.12750	1.7
272.09970	2.0
273.11191	17.2
281.11511	4.9
284.10104	1.2
285.00375	1.4
287.12759	2.2
289.03705	1.2
299.12857	21.2
300.13132	1.4
302.00540	15.0
303.00876	1.1
317.02847	24.2
317.06586	4.2
317.10641	1.7
317.13806	16.7
317.24551	1.1
318.03265	1.4
318.06900	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01880	0.1
55.05500	0.2
65.03925	0.3
67.05477	0.5
68.99773	0.3
69.03401	0.3
69.07047	0.4
69.47712	1.4
71.04983	0.2
79.05468	0.4
81.03387	0.2
81.07037	1.1
82.61154	0.1
91.05446	0.4
91.16647	0.1
92.02609	2.1
93.03396	2.0
93.07007	0.6
94.04148	0.2
95.04973	0.3
95.08600	0.8
96.64591	0.2
103.05435	0.3
105.07001	0.7
107.08569	0.8
109.02863	0.4
109.06499	0.3
109.10142	0.6
111.00809	0.3
117.07006	0.2
119.08533	0.6
121.02853	1.8
121.10121	0.3
122.03659	0.2
123.04405	0.2
123.11706	0.2
126.03110	1.0
131.04887	0.2
131.08524	0.2
133.10100	0.4
135.04349	0.2
135.11697	0.3
137.02325	0.3
137.05940	0.6
137.09584	0.2
139.03917	1.5
145.06451	0.3
145.10094	0.3
147.11678	0.4
149.02260	0.2
149.09634	0.2
149.13200	0.2
150.03096	0.2
151.03903	1.4
151.07491	0.2
153.01805	13.7
154.02281	0.2
155.02274	0.2
155.04939	0.2
157.10123	0.2
159.11603	0.3
161.09576	0.2
161.13188	0.2
163.03854	0.4
163.07495	0.3
165.01791	1.0
165.05370	0.2
166.02591	0.3
170.02016	0.3
173.05952	0.3
173.13116	0.2
175.03763	0.1
177.05441	0.4
179.03397	0.2
183.02867	0.3
183.04337	0.2
189.05302	0.2
190.06218	0.3
193.01302	0.2
197.13292	0.2
200.04610	0.7
201.05464	1.4
203.03291	1.1
203.17966	0.2
211.03763	0.2
211.07477	0.2
217.04926	2.5
218.05783	1.1
219.02892	0.5
228.04153	3.4
229.04922	6.1
231.02861	1.0
232.03714	0.2
239.03447	0.2
243.06393	0.3
245.04417	3.0
246.05208	2.8
256.03690	0.6
257.04388	4.2
258.04813	0.2
260.03055	0.5
261.07355	0.3
271.06122	0.4
273.03897	2.9
274.04684	5.6
275.04977	0.2
284.02991	0.6
285.03882	7.1
286.04559	0.4
287.02100	0.3
288.06131	0.3
301.03317	0.3
302.04169	19.5
303.04575	0.5
316.05920	0.2
317.06512	100.0
317.24762	1.0
318.06882	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	317.0649
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.02377	0.1
53.70536	0.1
58.68821	0.1
65.03926	0.5
67.01877	0.1
68.02631	0.1
68.99770	0.4
69.03410	0.2
70.43636	0.1
70.65538	0.1
70.65878	0.1
71.04990	0.1
81.03416	0.1
81.07056	0.1
82.18443	0.1
84.08614	0.1
86.25714	0.1
91.05456	0.1
92.02607	2.2
93.03393	2.3
94.04186	0.1
95.04925	0.1
97.02879	0.1
105.03374	0.1
109.02864	0.3
111.00768	0.3
120.02097	0.1
121.02847	1.6
121.06515	0.1
122.03606	0.2
123.04367	0.1
123.08062	0.1
124.01597	0.1
124.05192	0.1
126.03129	1.0
127.03891	0.1
127.07528	0.1
131.04866	0.1
133.02843	0.2
135.04356	0.1
136.01671	0.1
137.02324	0.6
137.05968	0.2
139.03879	1.5
145.02727	0.1
145.06450	0.2
145.08551	0.1
147.04355	0.1
149.02338	0.1
150.03094	0.1
151.03893	1.1
151.05011	0.1
152.00998	0.2
152.76132	0.1
153.01802	13.3
154.02173	0.2
155.04887	0.2
161.05968	0.1
162.03117	0.1
163.03871	0.4
163.07442	0.1
165.01804	1.1
166.02582	0.2
170.02095	0.1
173.05927	0.4
175.03903	0.1
175.07451	0.1
176.04668	0.1
177.01820	0.1
177.05455	0.4
179.03377	0.2
183.02844	0.3
183.04382	0.2
187.03868	0.3
189.05432	0.1
190.06178	0.2
191.03297	0.1
192.04150	0.1
193.01260	0.1
199.03867	0.1
200.04626	0.6
201.03716	0.1
201.05437	1.3
203.03355	1.3
204.04178	0.2
205.04922	0.1
211.03885	0.2
213.05478	0.1
215.03453	0.1
217.04930	2.2
218.02303	0.1
218.05721	1.2
219.02913	0.5
219.06387	0.1
228.02258	0.1
228.04132	2.9
229.04921	6.2
230.05357	0.2
231.02831	1.0
232.03700	0.1
233.04340	0.1
239.03317	0.2
240.04181	0.1
243.06512	0.2
245.04417	3.2
246.05205	2.9
247.02278	0.1
256.03656	0.4
257.04413	4.0
258.05066	0.2
259.02115	0.1
260.03189	0.7
261.07474	0.5
267.02808	0.1
271.05923	0.4
273.00836	0.1
273.03900	3.0
274.04672	6.4
275.05280	0.1
284.03107	0.9
285.03891	7.4
286.04449	0.3
287.01819	0.3
288.06042	0.3
299.05566	0.1
301.03470	0.4
302.04163	21.0
303.04517	0.5
317.06503	100.0
318.03113	0.1
318.06857	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.1
56.54834	0.0
63.02380	0.1
65.03931	0.5
67.01842	0.1
67.05487	0.1
68.99783	0.4
69.03404	0.1
69.69021	0.4
71.04945	0.1
74.09684	0.1
76.11985	0.1
77.03929	0.1
77.14462	0.0
79.05480	0.1
81.03397	0.1
81.07037	0.1
85.02892	0.1
91.05460	0.2
92.02604	2.6
93.03391	2.4
93.07021	0.1
94.04171	0.1
95.01290	0.1
95.04945	0.1
95.08568	0.1
97.02899	0.1
100.06051	0.1
105.03382	0.1
105.07021	0.1
107.04935	0.1
108.02089	0.1
109.02818	0.3
109.06518	0.1
109.10117	0.1
111.00774	0.3
111.01437	0.1
111.04427	0.1
115.05493	0.1
117.07007	0.1
120.02075	0.1
121.02845	1.7
121.06488	0.1
122.03613	0.2
123.04401	0.2
124.01570	0.1
124.05191	0.1
126.03111	0.8
127.03912	0.1
128.06197	0.1
129.07008	0.1
131.04906	0.1
133.02820	0.2
135.04385	0.2
137.02341	0.5
137.05949	0.6
138.03128	0.1
139.03874	1.3
145.06451	0.2
147.04407	0.2
149.02328	0.2
149.05960	0.2
150.03087	0.2
151.03882	1.5
151.05052	0.1
151.07452	0.3
152.01016	0.1
153.01797	14.2
154.02170	0.1
155.04886	0.2
157.06477	0.1
159.04401	0.1
161.05971	0.2
162.03098	0.1
163.03882	0.3
163.07516	0.1
165.01810	1.0
165.05550	0.1
165.06926	0.1
166.02548	0.2
170.02089	0.1
171.04315	0.1
172.05113	0.1
173.05934	0.4
175.07498	0.2
176.04692	0.1
177.01807	0.2
177.05434	0.4
179.03360	0.2
183.02817	0.3
183.04346	0.2
187.03871	0.2
189.05460	0.1
190.02585	0.1
190.06107	0.3
191.03342	0.1
192.04146	0.1
199.03818	0.1
200.04631	0.5
201.05438	1.4
203.03336	1.3
204.04155	0.2
211.03860	0.1
213.05385	0.1
215.03352	0.1
217.04939	2.1
218.02232	0.1
218.05730	1.0
219.02843	0.6
219.06256	0.1
227.03455	0.1
228.04141	3.0
229.04915	6.3
230.05502	0.2
231.02821	1.1
232.03680	0.1
233.04356	0.1
239.03377	0.2
243.02721	0.1
243.06528	0.2
245.04410	3.1
246.05186	3.2
247.02232	0.1
256.03635	0.5
257.04413	4.0
258.04846	0.2
259.02319	0.1
260.03140	0.8
261.04004	0.1
261.05096	0.1
261.07513	0.5
267.02835	0.1
271.06006	0.4
271.09390	0.1
273.03888	2.9
273.11154	0.1
274.04666	6.2
275.05103	0.1
284.03113	0.8
285.03885	6.7
286.04376	0.3
287.01819	0.2
288.06186	0.4
289.06830	0.1
299.05475	0.1
299.08994	0.1
299.12698	0.1
301.03418	0.4
302.04156	19.8
303.04471	0.5
317.06494	100.0
318.03110	0.1
318.06842	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	316.284
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.01878	0.4
55.05506	4.1
56.05027	4.1
57.03439	0.9
57.07063	2.2
60.04517	100.0
61.04849	0.5
63.73243	0.3
65.03899	0.4
67.05161	0.7
67.05493	8.0
68.05009	0.6
69.07057	5.0
70.06570	0.8
70.24532	0.4
70.24876	1.3
71.04984	0.3
71.08617	0.8
72.04511	1.5
73.02889	0.5
74.06070	2.5
79.05479	3.5
80.05003	0.7
81.07043	7.8
81.79636	0.3
82.06564	1.5
83.04974	0.7
83.08605	3.5
85.02940	0.3
85.10182	0.4
86.06065	0.6
87.04430	0.4
90.05533	1.7
91.05473	2.2
93.07032	3.5
94.06543	0.9
95.04955	0.8
95.08598	7.3
96.08109	0.5
97.06486	0.8
97.10171	2.2
100.07617	0.7
105.07007	1.4
105.35212	0.3
107.08547	1.8
109.06477	0.4
109.10144	3.5
110.09672	0.5
111.08085	0.4
111.11684	0.5
112.07630	0.6
116.07072	0.7
119.08570	1.8
121.10118	1.7
122.09615	0.3
123.08078	0.4
123.11689	1.4
124.34452	0.3
126.09129	0.4
130.08636	0.3
133.10095	1.1
135.11720	1.0
137.13217	0.4
147.11636	0.4
149.13243	0.5
151.14886	0.4
205.15953	0.4
250.25249	1.4
262.25128	1.6
263.23563	0.8
280.26315	10.3
281.26813	0.4
298.27359	13.1
299.27698	0.8
302.04071	0.6
316.28418	58.7
317.06546	3.1
317.21045	1.0
317.28674	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	316.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.05505	5.4
56.05028	4.3
57.03420	0.4
57.07063	2.0
58.02928	0.4
58.06594	0.4
59.44948	0.3
60.04516	100.0
61.04856	0.5
65.79958	0.3
67.05493	7.5
67.05860	0.5
68.05016	0.7
69.07058	5.7
69.97514	1.6
70.06580	1.0
71.04965	0.4
71.08627	1.1
72.04504	2.5
73.02897	0.7
74.06064	2.7
76.88215	0.3
79.05476	3.5
80.05009	1.2
81.03389	0.6
81.07043	8.6
82.06576	1.4
82.07373	0.3
83.04968	0.7
83.08601	3.4
84.08147	0.5
85.06489	0.3
85.10181	0.5
86.06058	0.9
87.04433	1.6
88.07603	0.7
90.05549	1.2
91.05468	3.1
93.07023	3.5
94.06559	1.0
95.04948	0.6
95.08588	7.9
96.08118	1.0
97.06528	0.9
97.10172	1.7
100.07580	0.5
101.05978	0.7
102.09161	0.5
105.07011	1.7
107.08588	2.0
109.06502	0.6
109.10153	3.3
111.08089	0.6
111.11726	0.7
112.07578	0.5
116.07098	0.4
119.08587	1.5
121.10117	2.2
122.09637	0.3
123.08018	0.7
123.11717	1.2
124.03019	0.3
125.59296	0.3
131.04865	0.3
133.10123	1.4
135.11688	1.2
137.09570	0.4
137.13243	0.6
139.03848	0.3
150.09818	0.3
151.07515	0.4
153.01773	1.2
155.14323	0.4
161.13287	0.4
212.23692	0.5
213.57655	0.3
229.04903	0.9
250.25131	1.6
256.26315	0.4
262.25256	1.9
263.23706	0.7
268.26291	0.6
274.05051	0.4
279.40860	0.4
280.26312	12.3
281.26758	0.7
285.03809	0.8
298.27350	14.6
299.27838	0.6
302.04181	1.7
316.28418	60.5
317.02844	0.7
317.06543	9.4
317.21024	0.6
317.25052	0.7
317.28659	4.2
338.68991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50852	0.4
55.01859	1.3
55.05490	0.9
56.96555	3.8
57.03412	2.0
59.04990	1.0
61.02909	2.2
65.03944	0.6
67.05502	2.4
69.03417	7.3
70.06570	1.5
70.84510	1.1
71.01324	0.7
71.04963	0.8
72.08144	0.4
73.02901	2.9
77.00900	0.7
81.03410	2.9
81.07053	1.0
82.03738	0.6
83.04964	1.4
84.08115	0.7
84.96025	0.5
85.02894	12.7
85.06526	0.5
86.03200	0.6
86.06043	0.6
86.09691	0.5
87.04440	1.4
90.58826	0.4
91.03954	0.7
91.05467	1.9
93.05776	1.0
94.06583	0.6
95.04932	0.7
97.02880	7.1
98.03182	0.8
98.97583	3.1
99.04425	1.3
101.00871	1.3
101.05995	2.3
102.96822	0.5
106.06506	0.7
107.04932	1.2
108.08109	9.0
109.02860	2.4
110.06114	0.5
111.04430	0.8
113.00847	0.5
115.02414	0.6
116.98592	2.9
117.04004	0.6
118.03495	0.5
118.06520	1.3
119.01913	10.5
119.04916	0.7
119.07063	0.7
120.01999	0.9
121.01646	1.0
123.06761	0.8
124.03931	0.7
124.07563	1.0
125.02338	0.6
127.03884	3.8
128.04179	0.7
128.98569	0.6
130.08585	0.8
131.01877	2.1
131.94603	0.5
132.01886	0.5
133.03497	1.3
134.05994	0.9
134.15410	0.4
134.99678	2.4
136.07564	100.0
137.02951	3.2
137.05946	3.7
137.08017	2.3
138.05473	1.7
138.09132	1.8
139.02557	0.5
141.03996	0.7
143.00191	0.8
143.01906	2.4
143.03397	1.2
144.03682	0.5
145.03439	3.4
145.04948	2.1
146.99619	0.5
147.04337	1.2
148.07549	1.1
150.05453	0.6
151.04895	1.2
151.06137	0.5
152.05664	1.9
152.07051	2.3
153.00720	0.6
153.01819	13.8
153.02835	0.5
153.05566	0.7
154.02165	8.9
154.04990	1.5
154.08615	53.3
155.01950	0.7
155.08939	0.9
156.04897	0.5
157.03474	1.1
158.99628	0.6
159.03836	0.6
159.04994	3.1
160.06512	0.6
161.01492	0.7
161.02945	4.0
161.06564	0.5
163.04446	1.6
164.07050	2.1
165.07440	2.9
166.04819	0.6
166.08611	4.4
167.04384	0.5
169.03474	1.3
170.08109	0.7
171.05048	1.2
172.03198	0.7
172.95267	0.5
173.02992	2.5
174.97614	0.5
175.04498	1.1
176.07050	1.0
177.00897	2.0
177.02437	0.5
177.04155	1.0
177.06030	1.6
177.07523	0.5
179.07341	0.7
185.02898	2.1
187.02933	0.6
187.04527	2.2
189.02431	1.5
189.06186	0.7
190.98654	1.9
191.04054	0.5
192.98572	0.5
193.98827	0.5
194.08122	4.6
195.08946	1.5
197.06593	0.7
199.04440	0.6
199.08202	0.6
203.02335	1.0
203.03983	1.4
203.07526	0.6
205.05630	1.2
207.03491	1.3
214.05975	0.6
215.07704	0.9
218.98148	0.6
219.01921	2.3
220.02339	2.2
220.05991	0.8
221.01579	0.9
221.04915	2.4
222.05290	0.7
223.01207	0.6
223.04823	0.5
226.05827	0.7
227.07024	0.9
228.07024	0.5
229.02013	0.6
231.03581	1.1
232.99516	0.8
233.01457	1.2
234.08325	0.6
235.08432	0.6
236.07379	0.6
237.02965	0.6
244.06950	0.6
245.05057	1.6
247.06647	0.6
250.96861	0.6
251.00314	0.7
251.02679	3.1
256.04953	0.5
257.05008	0.9
257.08810	0.6
261.02948	1.1
274.04233	0.8
274.06772	0.7
274.97189	1.4
275.02481	4.1
275.06082	1.3
292.07874	0.6
292.98312	1.7
293.03427	7.8
293.06656	0.7
294.03668	0.9
305.11023	0.8
309.09802	0.5
316.08694	7.3
316.13910	62.2
317.02649	0.8
317.06653	1.0
317.10971	0.9
317.14288	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50852	0.4
55.01859	1.3
55.05490	0.9
56.96555	3.8
57.03412	2.0
59.04990	1.0
61.02909	2.2
65.03944	0.6
67.05502	2.4
69.03417	7.3
70.06570	1.5
70.84510	1.1
71.01324	0.7
71.04963	0.8
72.08144	0.4
73.02901	2.9
77.00900	0.7
81.03410	2.9
81.07053	1.0
82.03738	0.6
83.04964	1.4
84.08115	0.7
84.96025	0.5
85.02894	12.7
85.06526	0.5
86.03200	0.6
86.06043	0.6
86.09691	0.5
87.04440	1.4
90.58826	0.4
91.03954	0.7
91.05467	1.9
93.05776	1.0
94.06583	0.6
95.04932	0.7
97.02880	7.1
98.03182	0.8
98.97583	3.1
99.04425	1.3
101.00871	1.3
101.05995	2.3
102.96822	0.5
106.06506	0.7
107.04932	1.2
108.08109	9.0
109.02860	2.4
110.06114	0.5
111.04430	0.8
113.00847	0.5
115.02414	0.6
116.98592	2.9
117.04004	0.6
118.03495	0.5
118.06520	1.3
119.01913	10.5
119.04916	0.7
119.07063	0.7
120.01999	0.9
121.01646	1.0
123.06761	0.8
124.03931	0.7
124.07563	1.0
125.02338	0.6
127.03884	3.8
128.04179	0.7
128.98569	0.6
130.08585	0.8
131.01877	2.1
131.94603	0.5
132.01886	0.5
133.03497	1.3
134.05994	0.9
134.15410	0.4
134.99678	2.4
136.07564	100.0
137.02951	3.2
137.05946	3.7
137.08017	2.3
138.05473	1.7
138.09132	1.8
139.02557	0.5
141.03996	0.7
143.00191	0.8
143.01906	2.4
143.03397	1.2
144.03682	0.5
145.03439	3.4
145.04948	2.1
146.99619	0.5
147.04337	1.2
148.07549	1.1
150.05453	0.6
151.04895	1.2
151.06137	0.5
152.05664	1.9
152.07051	2.3
153.00720	0.6
153.01819	13.8
153.02835	0.5
153.05566	0.7
154.02165	8.9
154.04990	1.5
154.08615	53.3
155.01950	0.7
155.08939	0.9
156.04897	0.5
157.03474	1.1
158.99628	0.6
159.03836	0.6
159.04994	3.1
160.06512	0.6
161.01492	0.7
161.02945	4.0
161.06564	0.5
163.04446	1.6
164.07050	2.1
165.07440	2.9
166.04819	0.6
166.08611	4.4
167.04384	0.5
169.03474	1.3
170.08109	0.7
171.05048	1.2
172.03198	0.7
172.95267	0.5
173.02992	2.5
174.97614	0.5
175.04498	1.1
176.07050	1.0
177.00897	2.0
177.02437	0.5
177.04155	1.0
177.06030	1.6
177.07523	0.5
179.07341	0.7
185.02898	2.1
187.02933	0.6
187.04527	2.2
189.02431	1.5
189.06186	0.7
190.98654	1.9
191.04054	0.5
192.98572	0.5
193.98827	0.5
194.08122	4.6
195.08946	1.5
197.06593	0.7
199.04440	0.6
199.08202	0.6
203.02335	1.0
203.03983	1.4
203.07526	0.6
205.05630	1.2
207.03491	1.3
214.05975	0.6
215.07704	0.9
218.98148	0.6
219.01921	2.3
220.02339	2.2
220.05991	0.8
221.01579	0.9
221.04915	2.4
222.05290	0.7
223.01207	0.6
223.04823	0.5
226.05827	0.7
227.07024	0.9
228.07024	0.5
229.02013	0.6
231.03581	1.1
232.99516	0.8
233.01457	1.2
234.08325	0.6
235.08432	0.6
236.07379	0.6
237.02965	0.6
244.06950	0.6
245.05057	1.6
247.06647	0.6
250.96861	0.6
251.00314	0.7
251.02679	3.1
256.04953	0.5
257.05008	0.9
257.08810	0.6
261.02948	1.1
274.04233	0.8
274.06772	0.7
274.97189	1.4
275.02481	4.1
275.06082	1.3
292.07874	0.6
292.98312	1.7
293.03427	7.8
293.06656	0.7
294.03668	0.9
305.11023	0.8
309.09802	0.5
316.08694	7.3
316.13910	62.2
317.02649	0.8
317.06653	1.0
317.10971	0.9
317.14288	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.122
Annotation	8-Hydroxy-2,3,4,7-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03919	1.0
55.01865	1.4
55.05512	1.0
57.03419	0.9
66.52567	0.4
67.05500	2.1
69.03420	5.2
69.07062	1.9
69.90044	2.3
70.06602	0.5
71.05000	0.7
79.01842	3.1
79.05490	1.8
81.03400	7.6
81.07039	3.0
83.04983	0.6
83.08602	0.6
85.02898	6.0
85.06555	1.1
91.05470	1.4
93.07041	2.1
95.04978	0.6
95.08589	2.4
97.02901	2.6
97.06537	0.6
98.20824	0.9
99.04433	1.0
103.05472	2.0
105.07021	4.6
107.01311	1.6
107.04934	1.7
107.08584	2.1
109.02866	6.1
109.06503	1.3
109.10143	2.6
111.04420	1.0
111.08077	0.6
115.05449	1.2
117.03402	0.5
117.07055	0.5
118.04180	0.7
119.04962	0.7
119.08530	1.2
121.06526	1.3
121.10126	1.1
123.04453	0.8
123.08060	0.5
123.11739	0.7
125.02338	3.6
125.09602	1.1
127.03911	5.8
128.06290	0.6
129.06975	0.8
131.04904	4.1
131.08588	0.8
133.06485	2.3
133.10080	1.0
135.08058	1.1
135.11719	0.6
135.78636	0.5
137.05965	4.0
143.03383	5.8
143.08588	0.5
145.10114	2.0
146.03636	3.4
147.11681	1.1
149.06012	0.7
149.09540	0.6
151.07484	0.9
152.06183	4.7
153.01810	100.0
153.09038	0.8
153.12694	0.7
154.02130	2.2
155.08524	0.6
159.04268	0.5
159.11679	1.0
161.05965	26.0
162.06516	0.7
163.11212	0.5
165.06992	6.2
166.07773	3.5
167.07053	1.1
167.08508	6.0
169.06403	1.4
171.02850	5.7
171.08049	0.5
173.13148	0.5
175.07570	0.9
175.80988	0.6
176.04738	0.7
176.06215	1.4
177.05493	0.6
177.06914	5.4
180.05656	1.5
181.06506	3.2
182.07111	0.6
183.02859	0.5
183.08081	0.8
184.05283	0.5
191.07004	3.2
191.08490	0.6
193.06447	3.1
194.07245	5.8
195.08018	17.3
197.05923	3.5
198.06616	0.7
201.16365	0.5
205.06494	3.2
208.05147	4.6
209.05905	2.5
209.09514	0.7
210.06647	1.2
211.07545	3.1
212.04599	0.5
212.08218	1.8
213.08946	0.7
221.05930	2.5
222.06708	6.6
223.07513	21.9
223.09734	1.1
224.08246	3.5
225.05481	3.7
225.08987	0.7
226.06166	1.2
227.07037	0.9
227.10631	0.7
231.16560	0.5
233.05901	1.6
236.04590	1.4
237.05441	2.1
237.09084	2.8
238.06300	0.9
239.07030	4.7
240.07759	8.9
241.08536	2.9
243.09967	0.6
250.06168	1.3
251.06993	8.2
252.07646	1.8
253.05013	1.4
253.08527	1.5
254.05606	1.1
254.09352	2.8
255.10117	17.0
256.07449	0.6
256.10257	0.8
257.08020	1.4
265.08578	3.1
267.06506	0.6
268.07263	4.4
269.08041	8.3
271.09534	0.8
282.05380	0.7
282.08694	0.8
283.09616	72.4
284.10287	9.7
285.04141	0.5
285.07465	1.8
285.10712	0.8
287.09100	0.6
292.62549	0.6
297.05917	4.2
297.11179	1.9
300.09784	1.8
315.08456	7.2
315.12143	50.1
315.19556	1.7
315.23096	1.5
316.09207	0.7
316.12555	1.8
328.88464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0705
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02376	0.4
53.03934	0.9
55.01862	0.5
57.03418	0.6
61.02908	0.5
69.03419	5.3
70.78666	0.3
70.79033	0.4
71.04984	0.4
73.02913	0.3
76.23112	0.1
79.01841	3.0
81.03406	8.3
85.02892	4.8
93.14584	0.2
97.02279	0.2
97.02876	2.9
99.04426	0.8
106.36031	0.2
107.01294	1.9
109.02867	5.7
123.00723	0.2
125.02335	4.0
127.03897	5.3
131.81725	0.2
135.00754	0.2
143.03375	6.9
151.03879	0.2
153.01805	100.0
153.02773	3.7
154.02150	0.8
164.20224	0.2
171.02856	4.5
219.83542	0.2
237.04153	0.2
283.09485	0.2
297.06006	5.2
299.92282	0.2
315.07031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0705
Annotation	Norbergenin
Peak:m/z	Relative Intensity
50.01581	0.2
51.02374	0.3
53.03939	0.8
55.01861	0.4
55.05494	0.4
57.03410	0.6
57.07064	0.2
61.02905	0.5
67.05482	0.6
69.03418	4.7
69.07043	0.5
70.19492	0.4
70.19888	0.3
71.04979	0.5
73.02884	0.2
75.94828	0.1
77.74924	0.2
79.01841	3.6
79.05466	0.4
81.03407	7.9
81.07040	0.9
83.05005	0.2
85.02897	5.2
85.03419	0.3
85.06509	0.2
91.05484	0.3
93.07011	0.7
95.04961	0.3
95.08591	0.9
96.02081	0.2
97.02870	2.4
97.06525	0.2
97.10184	0.2
99.04442	0.7
103.05440	0.2
105.06995	0.6
107.01299	1.8
107.04922	0.2
107.08578	0.7
109.02862	4.9
109.06477	0.2
109.10139	0.6
109.63545	0.1
115.05387	0.2
119.08557	0.5
120.39832	0.1
121.10187	0.3
123.11635	0.3
125.02339	4.0
127.03899	5.7
131.04932	0.6
131.08514	0.2
133.10065	0.3
135.04359	0.2
135.07957	0.2
135.11711	0.3
137.05937	0.9
143.03374	6.6
145.04965	0.3
145.10110	0.2
147.04385	0.2
147.11688	0.3
149.05936	0.2
151.07512	0.2
152.06180	0.2
153.01808	100.0
153.02791	4.1
154.02122	0.8
155.41696	0.2
161.05972	1.2
163.03870	0.2
165.06984	0.4
167.03354	0.2
167.08565	0.5
169.06482	0.2
171.02855	6.4
173.09666	0.2
173.13185	0.3
177.05476	0.3
177.06978	0.4
180.05634	0.2
181.06396	0.2
183.08110	0.3
191.03391	0.2
193.06442	0.2
194.07217	0.5
195.02834	0.4
195.08051	0.8
197.05910	0.3
205.06480	0.2
208.05185	0.5
209.05899	0.2
211.07626	0.2
212.08287	0.3
213.10684	0.2
219.02875	0.2
221.06044	0.2
222.06769	0.6
223.07521	1.1
224.08342	0.3
225.05508	0.3
227.06963	0.2
237.09085	0.5
239.06903	0.4
240.07782	0.5
241.08536	0.3
251.06950	0.5
254.05652	0.2
255.10069	1.3
256.07391	0.2
257.07983	0.3
265.08603	0.7
268.07318	0.3
269.08170	0.4
283.09601	3.6
287.12827	0.2
297.05966	4.5
297.11383	0.4
315.07367	2.0
315.12451	3.3
315.19501	0.6
315.23169	0.4
315.26648	0.2
326.36673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0704
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02374	0.6
53.03926	0.7
57.03423	0.8
59.01118	0.2
67.05483	0.3
69.03065	0.4
69.03416	4.7
69.03758	0.2
69.07043	0.3
70.25820	0.9
71.04984	0.5
76.58504	0.2
79.01845	4.3
81.03407	6.9
81.07042	0.7
85.02890	5.6
93.07019	0.5
95.08593	0.8
97.02868	2.4
99.04432	0.6
105.06992	0.5
107.01308	2.0
107.08582	0.5
109.02862	5.4
121.10089	0.3
123.11648	0.3
125.02330	4.8
125.09582	0.3
127.03902	5.7
131.04941	0.3
133.10130	0.3
135.00751	0.3
135.99957	0.3
137.05939	0.3
143.03378	6.8
152.06184	0.3
153.01808	100.0
153.02768	3.6
154.02113	1.3
159.11655	0.3
161.05937	0.8
168.49628	0.2
171.02870	6.0
177.06909	0.4
195.07993	0.8
208.05173	0.5
211.07727	0.3
223.07565	0.4
237.09039	0.3
240.07883	0.3
251.07005	0.5
255.10193	0.8
269.08105	0.4
283.09586	2.3
297.05963	3.6
297.11136	0.3
315.06912	2.6
315.12054	1.9
315.23395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
53.03933	0.9
57.03418	1.1
59.90327	0.2
61.02913	0.5
69.03420	4.9
71.01973	0.6
71.04980	0.3
77.34904	0.2
79.01843	3.7
79.88442	0.3
81.03405	9.8
84.32870	0.2
85.02895	4.6
95.01422	0.2
97.02887	2.4
99.04453	1.4
107.01316	2.0
109.02857	5.0
125.02319	4.2
127.03905	6.4
143.03386	6.4
145.04922	0.3
153.01810	100.0
153.02800	4.2
154.02110	1.5
163.62515	0.3
171.02859	5.4
225.91721	0.3
237.03879	0.3
255.04985	0.3
288.94724	0.3
297.06021	6.6
311.66406	0.3
315.06927	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0705
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02380	0.2
53.03938	0.9
55.01851	0.2
55.05507	0.5
57.03412	0.8
59.83178	0.2
62.11706	0.2
67.05488	1.3
69.03084	0.2
69.03426	4.1
69.07042	1.1
70.90638	0.4
70.90955	0.3
71.04977	0.7
73.98873	0.2
79.01840	3.9
79.05482	0.8
81.03409	9.1
81.07038	2.0
83.04950	0.4
83.08603	0.6
84.86321	0.3
85.02422	0.4
85.02898	6.0
85.06519	0.7
91.05465	0.8
91.52432	0.2
93.07033	1.6
95.04960	0.3
95.08597	2.3
97.02894	2.0
97.06535	0.3
99.04436	0.8
105.07033	1.2
107.01299	1.9
107.04874	0.2
107.08585	1.5
109.02129	0.3
109.02864	5.3
109.06517	0.5
109.10143	1.3
111.04440	0.2
112.90742	0.2
119.08544	1.3
121.02850	0.3
121.06485	0.5
121.10130	1.1
123.08026	0.3
123.11681	0.8
125.02347	3.8
125.09624	0.4
127.03900	5.7
129.07036	0.3
131.04909	0.6
131.08530	0.7
133.06502	0.5
133.10089	0.7
135.08006	0.3
135.11700	0.5
137.05937	1.0
137.09654	0.3
137.13177	0.2
141.06966	0.3
143.03380	5.9
143.08568	0.4
145.10101	0.6
146.03632	0.3
147.11684	0.7
149.09645	0.3
149.13274	0.3
152.06203	0.4
153.01811	100.0
153.02794	3.9
154.02180	1.1
155.08525	0.5
157.10049	0.5
158.10733	0.3
159.11682	0.4
161.05957	1.7
161.09625	0.5
161.13248	0.3
165.06982	0.7
166.07678	0.3
167.08546	0.4
169.10101	0.4
171.02873	6.1
171.11711	0.4
173.13216	0.3
177.06979	0.6
181.06398	0.3
183.08037	0.3
185.13243	0.4
187.11154	0.4
187.14856	0.3
188.92339	0.3
191.07103	0.2
194.07251	0.5
195.07990	1.3
197.05865	0.5
199.14882	0.4
201.16508	0.3
208.05200	0.4
211.07520	0.3
221.05949	0.4
222.06796	0.3
223.07538	1.4
225.05385	0.6
237.09137	0.5
239.07057	0.3
240.07814	1.1
241.08554	0.7
251.07013	0.4
255.10094	2.3
265.08676	0.6
268.07217	0.5
269.08102	1.1
283.09641	6.2
284.10474	1.1
297.06009	5.7
297.11307	0.3
297.18402	0.5
297.21915	0.4
300.09653	0.3
315.06949	2.7
315.12094	5.9
315.19550	1.2
315.23148	1.8
315.26865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1224
Annotation	N-methylanthraniloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.06807	0.3
53.03942	0.6
55.01865	1.0
55.05499	0.7
56.05061	0.4
56.96564	7.1
57.03427	2.5
59.04985	0.5
61.02919	2.6
65.03918	0.9
67.05494	2.7
68.05013	0.4
69.03064	0.6
69.03422	7.9
70.06567	0.7
70.78933	0.3
71.01315	0.5
71.04996	1.9
71.60944	0.4
71.95260	0.4
73.02910	3.2
76.07623	0.5
79.01845	0.3
79.05492	1.0
81.03405	4.2
81.04530	0.6
81.07051	1.0
83.04961	1.1
84.04505	0.5
84.08124	0.8
84.96030	1.2
85.02897	11.7
85.06548	0.4
86.09692	0.5
87.04456	1.5
89.06020	2.7
91.03922	0.6
91.05459	0.7
93.05785	0.7
93.07038	0.3
95.04958	0.6
96.08136	0.6
97.02884	10.3
98.05970	0.4
98.97569	5.6
99.04449	1.6
99.08064	0.5
101.00880	0.5
101.02369	0.3
106.06527	2.6
107.04931	0.6
108.08105	81.7
109.02860	3.1
109.06484	0.3
109.08437	1.1
111.04416	1.0
112.99143	0.4
115.02379	0.4
116.98607	5.9
117.05530	0.9
118.06586	0.5
119.01897	3.0
122.06015	0.6
122.07138	3.0
123.04411	0.4
123.06802	6.2
124.07578	11.0
125.02338	1.2
127.03889	3.7
128.98592	0.6
129.03961	0.5
129.05464	0.4
131.01831	2.0
133.01677	0.4
134.06001	9.0
134.09651	0.7
134.99654	5.1
135.05547	0.7
135.06517	1.1
136.06184	6.7
136.07558	27.0
137.02956	0.4
137.05974	0.9
137.08408	2.0
138.06430	0.4
138.09108	0.4
139.09776	0.7
143.01814	0.9
143.03369	1.2
145.03464	0.8
145.04965	2.1
146.99577	0.5
150.05444	0.4
150.07770	0.8
150.09129	0.3
152.07048	52.5
152.10651	1.3
153.00728	0.9
153.01808	14.7
153.02904	0.7
153.06439	2.1
153.07605	0.8
154.08600	5.0
155.01877	0.7
157.03523	0.5
158.01160	0.3
158.99593	0.4
159.03192	0.4
159.05037	0.6
161.02927	1.3
161.06621	0.4
162.06403	0.4
163.02698	0.3
163.04471	0.4
163.08586	0.5
164.05785	0.5
164.07039	6.0
168.06380	0.4
169.03477	0.4
170.08081	0.7
171.01454	0.5
171.02837	0.5
171.04996	0.6
173.01463	0.3
173.02925	1.6
174.97635	0.7
175.04514	0.5
177.00821	2.1
179.05168	0.6
182.08121	0.7
185.02995	0.8
185.06581	0.4
187.02815	0.6
187.04565	1.0
189.00769	0.5
189.06027	0.5
190.05641	0.6
190.95465	0.6
191.03995	0.4
192.96718	0.4
192.98732	1.1
196.09648	0.4
197.00723	0.4
199.04410	0.4
200.04192	0.5
200.99132	0.5
201.00807	0.6
201.06149	0.6
201.49208	0.3
203.02356	0.7
203.04027	0.6
205.00217	0.4
205.05447	0.6
206.08009	0.5
207.05487	0.5
208.96281	0.4
210.06940	1.4
212.07074	1.1
212.97069	0.4
213.02492	0.4
214.05597	0.6
215.07715	0.4
219.00128	0.6
219.01927	6.2
219.07715	0.4
220.02104	0.8
220.07745	0.6
221.01651	0.6
221.05060	0.9
224.07027	1.1
230.98070	0.9
232.06390	1.3
232.58475	0.5
232.96437	0.5
233.07494	1.0
234.08177	0.4
234.99756	0.6
236.03044	0.4
237.02734	0.6
237.55043	0.3
242.03957	0.9
244.06618	0.5
245.05058	1.1
247.06851	0.5
248.99162	10.7
249.01764	0.5
249.99431	0.5
250.94818	0.6
250.97276	0.6
251.09642	1.6
259.06598	0.5
261.02927	0.8
266.97427	0.3
267.00208	8.8
269.10779	0.7
271.07401	0.6
272.00748	0.9
272.05869	0.4
273.06778	0.7
277.00607	0.5
284.05115	0.6
290.94687	1.3
291.00256	0.6
291.03574	0.4
291.98145	0.6
296.08362	0.5
296.11243	1.5
297.05750	0.6
297.10904	0.4
299.11639	0.4
305.10562	0.5
308.98276	0.4
309.01300	0.9
314.12289	100.0
315.07526	2.1
315.11957	5.8
332.10284	1.0
333.08307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.6
57.03425	15.7
57.07069	37.8
67.05500	7.4
69.07061	4.8
70.22254	5.0
71.08620	29.1
79.05470	1.3
81.07042	10.8
83.08614	7.8
85.10167	15.4
85.40508	1.0
87.60713	1.0
89.06028	1.6
95.08598	17.9
97.10146	4.3
99.11681	1.0
101.57751	1.0
103.07575	1.3
109.10149	7.8
111.11687	1.0
112.15575	0.9
123.11693	3.3
137.13203	1.8
208.00269	1.0
239.23653	3.0
257.24765	3.4
298.10715	2.7
313.27322	100.0
314.13837	7.2
314.27713	1.9
316.99362	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01849	2.2
55.05472	0.9
57.03417	4.3
57.53492	0.5
61.02917	11.3
69.03416	19.8
69.07051	14.2
70.06570	0.7
70.58253	2.5
71.04980	2.6
73.02901	5.7
73.06548	0.7
81.03398	10.0
83.04951	0.6
85.02888	100.0
87.04455	3.0
87.08091	18.8
91.03928	8.9
95.04924	0.7
97.02871	27.4
99.04433	4.5
101.05983	0.8
103.03934	0.9
105.09116	1.7
109.02862	9.0
110.06033	0.7
111.04443	1.9
115.03951	1.5
115.07529	1.6
120.76875	0.7
125.05972	0.9
127.03889	27.6
128.10674	0.7
132.06609	0.7
133.08574	8.1
136.07492	0.9
137.05945	0.9
140.07063	1.7
141.05469	0.9
145.04932	54.0
150.05511	5.5
151.03877	22.6
151.04918	1.2
153.01790	1.2
157.07629	1.8
162.05576	0.8
163.05980	14.0
168.06535	2.4
169.04959	2.2
180.08656	1.2
208.12292	0.7
218.73018	0.6
233.17523	0.6
239.63440	0.6
268.15536	1.1
295.08203	1.3
295.13910	1.8
296.10489	1.7
312.18228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01858	3.6
55.37980	0.6
57.02565	0.6
57.03435	6.2
61.02914	8.8
65.03933	1.7
67.05488	1.5
68.09171	0.7
69.03421	18.3
69.07056	12.1
69.88567	4.3
71.04980	2.8
73.02896	3.9
79.05517	0.6
81.03412	9.9
81.07036	0.8
83.04934	0.7
85.02892	100.0
85.07650	2.2
86.03223	1.1
87.04447	2.7
87.08095	20.3
91.03945	6.8
91.05463	1.2
93.07046	1.1
95.08607	0.8
97.02882	25.7
97.03512	1.5
97.06535	1.2
99.04462	5.0
103.04040	0.9
105.06974	0.8
105.09126	2.1
108.02052	0.9
109.02876	10.3
110.06049	0.8
111.04429	2.1
115.03892	1.0
115.07564	3.2
123.04469	0.9
125.05981	1.1
127.03898	25.9
133.08595	7.2
137.05997	0.9
138.09143	0.7
140.07040	1.7
141.05467	1.5
145.04939	52.3
150.05492	4.3
150.06537	1.3
150.09145	0.9
151.03885	43.6
151.04959	2.4
151.09778	0.8
153.01802	1.6
157.07616	0.9
163.05984	14.1
163.07329	0.8
168.06551	2.9
169.04984	2.0
177.05394	0.7
178.06271	0.7
180.08723	1.2
207.06178	0.8
227.93021	0.7
294.09665	1.3
295.08002	3.4
295.13953	1.2
312.10608	0.7
312.18137	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2939
Annotation	ent-8alpha,15-Labdanediol
Peak:m/z	Relative Intensity
53.03910	1.2
53.35221	1.3
55.01863	2.4
55.05504	25.8
57.07069	23.5
59.04993	1.2
67.05161	2.5
67.05496	28.9
69.03444	1.8
69.07059	72.0
70.07407	1.3
71.04974	2.9
71.06762	2.5
71.07118	3.1
71.08620	15.7
79.05477	13.8
79.61497	1.4
81.07043	100.0
82.07392	2.7
83.08605	37.1
85.02905	1.8
85.06528	14.7
85.10148	3.4
91.05472	4.6
93.07034	21.2
95.04967	1.7
95.08594	86.8
96.08936	1.7
97.06523	3.2
97.10162	22.2
99.08080	13.5
105.07020	6.5
107.08582	21.2
109.06519	2.9
109.10143	58.0
110.10499	1.8
111.04426	1.5
111.08048	9.4
111.11694	20.1
113.09631	2.9
119.08566	2.7
121.10125	15.4
123.08080	1.5
123.11689	35.1
125.09599	3.5
125.13259	13.2
127.11194	1.4
133.10124	2.8
135.11676	10.2
137.05972	13.7
137.13245	25.8
139.11168	2.4
145.10101	1.5
149.09615	1.8
149.13220	18.0
151.14833	7.8
155.14282	1.5
163.14819	5.8
165.16414	3.6
167.14301	6.1
177.16278	2.2
179.17871	2.7
187.07512	4.9
191.08543	3.2
193.19415	2.0
199.83133	1.2
205.19524	1.6
207.21066	2.1
209.19075	1.5
219.08023	4.3
219.21027	2.3
236.08241	1.7
237.22334	1.8
247.07481	2.7
249.25693	1.8
251.10672	5.3
265.08420	1.6
269.11676	1.5
275.27332	4.2
279.10153	4.8
281.28360	5.8
283.09583	2.6
293.21088	1.9
293.28287	25.9
294.20547	1.7
296.10278	1.8
311.09085	8.1
311.12729	14.3
311.18741	1.8
311.29364	20.3
315.08618	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2573
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03938	1.0
55.01854	1.5
55.05504	36.7
56.05827	0.7
57.03431	16.6
57.07068	18.2
65.40150	0.4
67.05493	6.3
69.07060	44.3
69.54964	0.8
69.55370	3.6
71.04982	0.7
71.08622	10.6
73.06550	0.6
78.36317	0.4
79.05482	3.5
81.07044	6.9
83.04975	0.9
83.08607	37.0
85.06525	0.8
85.10172	4.0
88.79130	0.5
93.07030	5.5
95.08591	5.9
97.06505	3.7
97.10155	23.9
107.08588	3.6
109.10142	3.3
111.08070	1.0
111.11001	0.7
111.11706	7.2
121.10128	5.1
123.11687	1.7
125.09593	1.6
125.13271	1.6
135.11612	2.4
137.13223	0.7
139.11111	1.2
149.13231	2.1
153.12717	0.6
161.09518	0.5
163.14812	0.7
209.11708	1.3
219.21123	1.3
237.11150	1.5
237.22151	0.6
282.33426	0.5
311.25769	100.0
312.26126	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	311.2941
Annotation	omega-Cycloheptyltridecanoic acid
Peak:m/z	Relative Intensity
53.03928	3.1
54.89088	1.6
55.05503	23.3
57.06824	1.6
57.07073	24.4
63.59941	1.2
67.05164	1.9
67.05502	30.9
69.03427	2.2
69.07062	73.7
69.72908	1.4
71.04984	3.6
71.08631	10.4
77.27032	1.3
79.05492	14.7
79.45521	1.3
81.07049	100.0
82.07436	1.3
83.04994	1.6
83.08131	2.5
83.08611	39.9
83.60054	1.3
85.02905	1.9
85.06533	14.4
85.10168	2.6
91.05463	4.8
93.07032	22.7
95.04942	3.1
95.08598	83.0
97.06514	3.5
97.10158	21.7
99.08087	11.9
105.06999	5.0
107.08590	20.6
108.20078	1.2
109.06528	2.6
109.10149	54.3
111.08058	10.6
111.11709	17.4
113.09641	1.4
119.08576	3.2
121.06491	2.4
121.10124	14.5
123.08038	1.4
123.11703	30.9
125.13274	7.2
126.94251	1.2
129.23151	1.5
131.08496	1.8
133.10095	1.4
135.11696	10.8
137.05954	5.8
137.13235	18.8
139.11189	2.6
145.10098	1.7
147.04399	6.5
148.04689	2.3
149.04956	1.9
149.09601	1.7
149.13240	26.4
150.13713	1.3
151.14781	6.2
157.10095	1.6
163.14792	5.3
165.16412	4.4
167.05304	1.7
167.14270	8.2
169.06474	2.4
177.16348	2.1
179.17964	3.8
191.08540	3.6
191.17921	2.2
193.19493	1.7
197.05991	4.3
217.69334	1.5
219.08018	2.9
219.21155	2.2
222.06714	1.6
236.08179	1.7
249.25684	3.0
251.10680	2.5
268.07123	2.3
274.33463	1.6
275.20059	3.8
275.27271	5.2
276.72855	1.4
279.09979	2.9
284.87567	1.6
287.09143	1.9
293.28381	24.6
296.10333	1.9
300.06555	1.7
301.10785	2.0
311.09073	18.7
311.12726	8.8
311.29407	11.4
312.09476	2.9
315.08582	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	311.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61064	0.9
55.01867	2.5
55.05503	7.7
56.01781	0.9
57.03415	1.0
57.07062	9.7
58.99605	1.1
59.04967	1.1
59.75322	0.9
67.05489	8.0
69.03407	1.3
69.07058	6.4
69.53960	7.2
71.04973	1.5
71.08618	9.9
78.93840	1.0
79.05474	6.1
81.03413	1.6
81.07047	11.2
83.04960	2.6
83.08604	5.1
85.64422	1.0
86.15684	1.0
91.05470	3.8
93.07040	5.9
95.04954	2.8
95.08591	9.1
97.06512	2.2
97.10159	4.4
98.20829	1.5
99.08080	4.5
105.07027	4.5
107.04957	2.8
107.08576	7.4
109.06477	1.6
109.10164	3.2
111.04409	5.2
117.07037	1.4
119.08562	3.6
120.08453	1.0
121.06495	3.2
121.10123	3.8
123.08096	1.0
123.11693	1.6
125.05988	1.2
125.09611	3.2
131.08536	3.0
133.10106	3.7
135.04427	1.5
135.08031	2.2
135.11708	2.4
137.05957	2.1
138.55338	1.2
145.10114	2.7
147.11678	2.1
149.13268	1.6
153.05457	5.3
157.10141	1.5
159.11650	1.9
163.11136	1.4
164.11824	0.9
165.12753	3.4
171.11624	2.0
177.12753	3.2
181.04897	1.6
181.12216	2.6
191.10638	3.4
209.11682	23.3
209.13620	1.6
237.11172	22.4
247.20711	1.0
255.12212	7.1
275.19989	5.5
293.21054	100.0
294.21484	5.4
311.12775	1.3
311.18814	2.4
311.23712	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2211
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03925	3.6
55.01865	19.7
55.05503	42.3
57.03427	4.8
57.07057	10.7
57.23202	2.5
58.25679	2.2
59.04977	2.9
60.33286	2.3
65.03922	4.1
67.05158	4.2
67.05494	54.8
69.03403	9.5
69.06710	4.2
69.07059	54.1
71.04964	10.9
71.08584	3.7
71.39513	2.2
71.62431	3.4
79.05482	45.3
81.03400	6.6
81.07046	97.9
83.04974	17.5
83.08612	31.9
85.02876	5.2
85.06525	11.4
87.04436	2.9
91.05466	38.2
93.07030	60.7
95.04956	17.0
95.08588	75.2
96.08937	3.4
96.77953	2.4
97.02905	2.6
97.06522	29.7
97.10161	32.8
99.08076	10.9
102.12952	2.3
103.05446	2.5
105.07023	38.2
105.72626	2.3
107.04942	8.6
107.08580	75.8
108.08024	2.4
109.06499	10.0
109.10139	36.6
111.04394	5.5
111.08079	11.9
111.11698	6.5
111.44801	2.3
113.06004	8.0
115.05441	3.6
117.06992	11.2
119.07789	3.8
119.08571	45.2
121.06470	6.8
121.10124	30.9
123.08053	8.7
123.11668	20.7
125.05978	3.6
125.09616	37.3
125.13190	3.4
129.06975	4.9
131.08549	23.2
133.10097	32.5
135.08025	9.7
135.11644	24.7
137.05923	16.4
137.09630	4.5
137.13222	10.5
139.11150	5.4
143.08534	5.4
143.10635	3.2
145.10112	21.5
146.88741	2.6
147.08046	4.8
147.11656	15.7
149.09595	16.6
149.13246	11.3
151.11124	5.4
151.14778	3.3
153.12709	6.3
155.04855	3.2
155.08542	3.4
157.10086	9.6
159.11685	19.5
161.09601	3.8
161.13220	8.3
163.11145	9.4
163.14778	5.8
165.06935	2.3
165.09082	2.8
165.12740	3.1
167.10684	5.6
169.10085	7.2
171.11659	8.0
173.13248	8.5
175.11153	2.9
175.14793	3.0
177.12706	5.9
181.12225	3.3
183.11630	3.4
185.13297	3.3
187.11111	4.5
187.14738	3.8
189.11218	20.2
189.12756	4.0
189.16339	4.2
191.08481	7.0
193.12311	2.6
195.13593	3.8
197.13362	2.7
199.14780	3.5
201.16403	3.2
205.12195	6.6
213.14752	3.9
215.14386	4.9
215.17876	3.2
219.08037	12.5
223.13213	9.6
229.19412	3.3
235.16919	8.5
239.17906	7.6
251.10616	10.2
253.08490	3.3
257.18967	9.8
265.21570	3.5
267.21457	19.4
275.20044	100.0
275.23114	5.5
275.27026	3.1
276.20358	5.6
279.10168	5.1
293.21161	54.2
293.24701	5.1
293.28247	9.2
294.21332	4.4
301.10611	3.3
311.09088	18.9
311.12723	20.2
311.15964	3.2
311.20068	8.0
311.23779	27.4
311.29388	8.0
315.08688	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	311.2212
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
52.61064	0.9
55.01867	2.5
55.05503	7.7
56.01781	0.9
57.03415	1.0
57.07062	9.7
58.99605	1.1
59.04967	1.1
59.75322	0.9
67.05489	8.0
69.03407	1.3
69.07058	6.4
69.53960	7.2
71.04973	1.5
71.08618	9.9
78.93840	1.0
79.05474	6.1
81.03413	1.6
81.07047	11.2
83.04960	2.6
83.08604	5.1
85.64422	1.0
86.15684	1.0
91.05470	3.8
93.07040	5.9
95.04954	2.8
95.08591	9.1
97.06512	2.2
97.10159	4.4
98.20829	1.5
99.08080	4.5
105.07027	4.5
107.04957	2.8
107.08576	7.4
109.06477	1.6
109.10164	3.2
111.04409	5.2
117.07037	1.4
119.08562	3.6
120.08453	1.0
121.06495	3.2
121.10123	3.8
123.08096	1.0
123.11693	1.6
125.05988	1.2
125.09611	3.2
131.08536	3.0
133.10106	3.7
135.04427	1.5
135.08031	2.2
135.11708	2.4
137.05957	2.1
138.55338	1.2
145.10114	2.7
147.11678	2.1
149.13268	1.6
153.05457	5.3
157.10141	1.5
159.11650	1.9
163.11136	1.4
164.11824	0.9
165.12753	3.4
171.11624	2.0
177.12753	3.2
181.04897	1.6
181.12216	2.6
191.10638	3.4
209.11682	23.3
209.13620	1.6
237.11172	22.4
247.20711	1.0
255.12212	7.1
275.19989	5.5
293.21054	100.0
294.21484	5.4
311.12775	1.3
311.18814	2.4
311.23712	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.26537	1.6
53.03925	3.0
55.01865	34.7
55.05502	49.3
57.03413	8.2
57.07067	13.2
59.04959	3.0
63.32647	2.1
64.99486	2.3
65.03936	2.1
67.05492	49.6
69.03394	6.3
69.07059	48.5
71.04984	16.5
71.08608	7.9
73.02528	1.9
79.05052	3.9
79.05482	47.9
81.03407	3.8
81.07045	90.1
83.04970	38.8
83.08601	40.3
85.06539	11.7
91.05461	30.0
93.07030	44.2
95.04955	13.8
95.08588	62.2
97.06516	46.5
97.10156	43.4
98.21541	3.3
99.04431	3.2
99.08089	16.3
105.07023	30.0
107.04974	4.4
107.08575	88.3
108.08864	2.4
109.06490	8.6
109.10143	38.1
111.04391	3.7
111.08063	8.9
111.11700	6.7
113.05988	15.0
117.06982	8.7
119.08562	17.7
119.71853	1.8
121.06473	5.9
121.10133	23.9
121.10933	3.3
123.08035	4.0
123.11676	20.5
125.05975	6.7
125.09611	78.8
125.10539	4.3
125.13234	2.7
127.07479	3.1
131.08527	13.8
133.06406	1.9
133.10109	17.3
135.08017	7.4
135.11649	18.3
137.05971	10.0
137.09604	3.7
137.13229	6.9
139.07451	2.2
139.11124	10.5
141.06943	4.5
142.07750	2.2
143.08554	4.7
145.10097	20.3
146.07234	2.4
147.11694	10.2
149.09596	15.1
149.13237	15.7
150.00946	1.8
151.11195	2.5
153.09073	3.7
153.12738	14.7
155.08543	2.3
157.10126	4.2
159.11670	11.9
161.09613	3.0
161.13252	5.9
163.11156	13.1
163.14746	3.1
165.16319	2.0
167.10728	10.5
167.14284	3.5
169.06467	3.3
169.10110	6.8
171.11649	2.8
173.09581	3.4
173.13257	5.3
175.11258	2.7
177.12753	9.3
181.12209	5.9
183.11574	2.2
185.13220	3.6
187.07550	3.5
187.11174	5.5
189.11174	28.5
189.12692	3.3
191.08476	3.8
193.12163	2.6
195.11661	2.0
195.13747	4.2
197.13235	2.1
201.16315	3.2
205.12177	11.1
209.11577	2.4
213.14795	6.0
219.08046	4.8
219.17407	2.8
223.13176	13.2
239.17899	4.3
241.14264	6.4
247.20654	3.6
251.10606	2.7
251.16472	3.5
255.10219	2.4
257.18961	8.1
275.20023	88.1
275.27328	4.2
276.20383	6.4
279.10117	6.6
280.10510	2.4
283.09610	3.5
283.12360	4.5
293.21054	100.0
293.28119	10.2
294.21411	5.7
301.10626	3.7
311.09052	26.8
311.12537	11.1
311.19980	6.4
311.23181	6.9
311.29379	7.7
315.08551	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	311.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01846	1.9
55.05499	7.7
57.03429	4.7
59.04984	1.7
61.02914	1.7
63.11113	0.7
65.03931	1.0
67.05502	3.7
69.03416	20.4
69.07043	2.4
71.04969	2.6
71.62088	1.2
73.02894	1.3
75.04475	1.0
79.05479	35.8
80.60365	0.8
81.03403	18.6
81.07041	9.7
82.03690	0.9
83.04972	4.4
83.08583	1.1
85.02889	16.4
87.04466	1.9
91.05465	21.8
93.07025	100.0
94.07365	1.0
95.04958	8.0
95.08581	4.8
97.02865	6.0
97.06512	2.2
99.04430	4.9
99.08067	1.3
100.81006	0.8
103.05444	2.2
105.04506	1.6
105.07008	18.1
107.04944	2.4
107.08573	28.4
109.02869	8.8
109.06518	3.8
109.10144	3.5
111.04414	1.5
111.08080	2.5
113.05963	1.3
113.09628	0.9
116.06224	1.9
117.07030	1.0
119.08547	10.0
121.06492	5.4
121.10121	82.9
122.10480	1.1
123.08046	4.2
123.11719	1.4
125.05924	1.1
127.03897	4.9
129.06976	1.7
130.30870	0.8
131.04868	0.9
131.08545	13.1
133.02837	1.3
133.06445	1.1
133.07591	0.8
133.10126	5.1
135.08043	1.4
137.04176	3.6
137.05960	6.9
138.09079	1.3
139.05676	0.9
139.11147	2.5
145.04849	1.3
145.10101	2.6
147.04388	1.4
147.08018	1.6
147.11674	1.6
149.05960	2.4
149.09589	34.5
151.03815	1.0
156.09364	0.9
157.10104	1.1
159.08038	0.9
159.11703	1.1
161.05959	2.0
161.09586	1.8
161.13290	1.2
163.05724	3.8
163.11145	2.1
165.09071	0.8
165.12700	0.9
166.08592	1.4
167.03299	1.1
167.07033	1.4
167.09189	1.2
167.10663	6.5
181.06743	1.0
187.07504	3.6
189.12717	2.8
190.00714	1.3
191.08571	2.2
207.13695	1.9
219.08064	1.9
219.10005	1.3
220.08676	1.0
223.04176	5.1
227.07326	1.2
233.11746	1.2
236.08162	1.6
247.07391	1.0
251.06863	1.4
251.10594	2.3
279.06979	0.9
279.10114	2.9
281.08185	1.1
283.09528	0.7
283.13068	0.9
293.13861	6.9
296.10538	0.9
311.05707	1.4
311.09192	2.3
311.12845	12.6
312.08936	2.5
312.12842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01846	1.9
55.05499	7.7
57.03429	4.7
59.04984	1.7
61.02914	1.7
63.11113	0.7
65.03931	1.0
67.05502	3.7
69.03416	20.4
69.07043	2.4
71.04969	2.6
71.62088	1.2
73.02894	1.3
75.04475	1.0
79.05479	35.8
80.60365	0.8
81.03403	18.6
81.07041	9.7
82.03690	0.9
83.04972	4.4
83.08583	1.1
85.02889	16.4
87.04466	1.9
91.05465	21.8
93.07025	100.0
94.07365	1.0
95.04958	8.0
95.08581	4.8
97.02865	6.0
97.06512	2.2
99.04430	4.9
99.08067	1.3
100.81006	0.8
103.05444	2.2
105.04506	1.6
105.07008	18.1
107.04944	2.4
107.08573	28.4
109.02869	8.8
109.06518	3.8
109.10144	3.5
111.04414	1.5
111.08080	2.5
113.05963	1.3
113.09628	0.9
116.06224	1.9
117.07030	1.0
119.08547	10.0
121.06492	5.4
121.10121	82.9
122.10480	1.1
123.08046	4.2
123.11719	1.4
125.05924	1.1
127.03897	4.9
129.06976	1.7
130.30870	0.8
131.04868	0.9
131.08545	13.1
133.02837	1.3
133.06445	1.1
133.07591	0.8
133.10126	5.1
135.08043	1.4
137.04176	3.6
137.05960	6.9
138.09079	1.3
139.05676	0.9
139.11147	2.5
145.04849	1.3
145.10101	2.6
147.04388	1.4
147.08018	1.6
147.11674	1.6
149.05960	2.4
149.09589	34.5
151.03815	1.0
156.09364	0.9
157.10104	1.1
159.08038	0.9
159.11703	1.1
161.05959	2.0
161.09586	1.8
161.13290	1.2
163.05724	3.8
163.11145	2.1
165.09071	0.8
165.12700	0.9
166.08592	1.4
167.03299	1.1
167.07033	1.4
167.09189	1.2
167.10663	6.5
181.06743	1.0
187.07504	3.6
189.12717	2.8
190.00714	1.3
191.08571	2.2
207.13695	1.9
219.08064	1.9
219.10005	1.3
220.08676	1.0
223.04176	5.1
227.07326	1.2
233.11746	1.2
236.08162	1.6
247.07391	1.0
251.06863	1.4
251.10594	2.3
279.06979	0.9
279.10114	2.9
281.08185	1.1
283.09528	0.7
283.13068	0.9
293.13861	6.9
296.10538	0.9
311.05707	1.4
311.09192	2.3
311.12845	12.6
312.08936	2.5
312.12842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05443	0.5
53.03944	0.7
55.01855	0.9
55.85283	0.5
57.03426	1.9
57.07070	4.0
61.02916	3.4
67.05499	6.5
69.03423	6.4
69.07050	1.1
69.95326	1.6
69.95756	1.8
71.04987	6.3
73.02890	1.6
81.03389	2.4
83.01288	0.8
85.02897	36.1
85.06544	4.1
87.04459	1.3
89.29727	0.5
91.03952	2.5
95.04958	12.4
96.18193	0.6
96.55038	0.5
97.02893	7.2
98.21391	0.6
99.04462	1.5
105.43808	0.6
109.02845	3.2
113.05996	36.1
114.06372	0.6
127.03901	9.2
131.07028	100.0
132.07390	1.5
139.03804	0.7
140.04144	0.9
145.04944	17.0
149.08072	0.9
163.05980	5.9
179.18832	0.6
229.05992	0.7
293.12360	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	311.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39032	1.2
52.83572	1.1
53.03934	3.7
55.01844	5.2
55.05500	2.9
55.08229	1.1
57.03432	17.4
57.07090	1.3
59.04993	1.4
59.34361	1.2
61.02906	4.1
67.05488	3.4
69.03420	77.8
69.07047	2.4
69.80518	8.6
71.01330	5.7
71.04993	9.1
73.02908	9.4
79.05485	6.8
81.03407	17.0
81.04517	1.5
81.07028	1.3
83.04961	3.6
85.02895	40.8
87.04451	3.7
91.05471	9.8
93.07030	1.9
95.04934	3.7
95.08602	4.0
97.02879	41.9
98.21436	1.5
99.04449	7.2
101.02356	2.7
103.03930	12.7
103.05431	12.1
103.07584	1.8
105.06991	2.3
105.93373	1.4
107.04929	10.2
109.02891	6.3
109.06493	1.9
109.10178	1.8
110.06058	2.2
111.04436	4.6
113.05972	3.2
113.09630	2.7
114.06309	2.6
115.03916	10.7
115.05439	5.4
116.98615	1.5
117.06999	6.0
119.04934	14.5
121.06509	9.3
122.03642	4.4
123.04398	2.4
127.03902	52.5
128.06216	1.5
129.05455	5.6
129.06937	2.7
131.04919	20.5
131.07010	5.9
131.10661	2.6
132.07309	3.0
133.02824	5.1
133.06647	2.2
133.07596	7.8
135.04413	9.9
135.08015	1.3
136.07634	2.0
137.05956	96.9
138.06374	1.4
139.03783	1.7
140.07013	2.6
141.06981	5.6
143.04872	2.9
144.05695	3.5
145.04942	9.4
145.06451	8.5
146.03584	1.7
147.04399	19.6
148.05154	2.1
148.06267	2.5
149.05957	29.0
149.07088	12.6
149.08176	2.0
149.11681	2.8
151.03880	8.1
151.07506	16.8
153.01808	3.1
155.04868	2.4
157.06505	1.8
159.04381	10.3
160.05203	7.5
161.05945	7.1
161.07089	100.0
162.03104	3.4
162.07828	1.6
163.03819	2.1
163.07513	20.2
163.08777	1.9
164.04646	3.5
165.05467	5.0
167.07024	18.1
169.05038	1.8
169.06409	11.5
171.04391	2.6
172.05231	1.7
173.05969	3.5
173.07213	2.2
173.10693	1.8
174.07942	1.6
175.07428	16.7
175.08720	4.2
176.04680	3.8
177.05452	50.9
177.09067	4.4
179.06989	20.2
183.04338	2.6
183.09042	1.4
184.05106	2.0
185.05853	1.7
186.06593	1.8
187.07506	9.7
188.04704	1.9
189.05380	2.4
189.09097	2.1
190.06268	1.5
191.06912	39.1
192.07278	1.5
196.05154	1.8
197.05945	11.5
198.06731	1.8
199.07472	1.7
200.04622	2.6
201.05415	3.7
201.08806	3.8
201.10216	9.1
202.48343	1.3
203.06935	13.8
205.08559	6.4
207.06494	2.8
211.08878	1.6
213.05406	2.3
214.06223	2.4
215.06995	14.6
217.08572	4.1
219.06500	1.8
221.08038	5.2
225.05365	1.3
229.08371	16.1
233.07982	11.2
239.08127	2.5
245.09251	22.7
247.09679	2.5
257.09314	27.4
275.10361	17.0
293.11325	28.4
311.12085	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	309.2783
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
52.67147	1.6
53.03924	1.8
53.98332	1.7
55.01842	1.5
55.05510	22.7
55.60631	2.0
57.07070	22.8
59.04990	6.1
62.98734	1.7
67.05497	37.3
67.05858	2.0
69.03413	6.8
69.07060	69.1
69.91779	12.2
71.04987	4.8
71.08623	13.4
72.45496	1.9
79.05486	16.6
80.30681	1.6
81.03393	2.1
81.07047	100.0
83.04951	2.3
83.08606	30.0
85.06538	11.2
85.10168	5.5
85.91800	1.6
91.05449	13.4
93.07032	35.1
95.04974	5.3
95.08595	90.3
96.08923	3.3
97.06534	5.5
97.10165	15.3
99.08064	5.2
105.07030	23.9
107.08567	29.6
109.06502	4.2
109.10142	53.9
111.08063	12.6
111.11720	15.4
119.04901	5.2
119.08570	17.2
121.10120	21.0
123.08079	4.8
123.11694	38.1
125.09621	3.6
125.13232	4.6
127.07545	6.5
133.10120	14.3
135.11653	21.8
137.09641	4.1
137.13245	13.9
139.11156	6.1
141.09074	2.5
147.04393	28.9
147.11662	16.8
149.13232	19.6
151.11214	5.0
151.14792	4.6
153.12752	6.2
155.10616	3.4
161.13242	9.4
163.14833	9.8
165.12730	7.3
165.16321	2.9
175.14764	5.4
177.16374	8.1
179.14291	2.2
182.13324	1.7
183.13806	3.6
189.16393	3.8
189.70837	1.9
191.17934	5.0
203.17964	4.5
217.19490	5.8
222.40215	1.9
234.06677	2.5
247.24348	3.1
249.09145	2.6
261.25818	2.7
266.34592	2.1
273.25757	21.8
277.08655	3.8
279.26971	3.1
281.11795	2.8
291.26819	23.6
309.11224	7.4
309.27881	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	309.2782
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
52.32814	1.1
53.03915	1.7
55.01857	2.4
55.05260	2.1
55.05500	24.5
56.23085	1.0
57.03425	2.5
57.07067	27.0
59.04984	3.8
65.03927	1.8
67.05494	32.6
69.03400	5.0
69.07055	57.0
69.92960	6.8
70.07417	1.2
71.04979	5.8
71.08620	18.5
73.06546	1.5
79.05479	17.6
81.07041	100.0
82.07362	2.5
82.83767	1.1
83.04968	8.7
83.08137	2.0
83.08602	28.3
85.06531	7.7
85.10176	9.9
86.89439	1.0
91.05455	11.8
93.07024	36.4
94.07352	1.2
95.04953	5.3
95.08591	77.2
96.08905	2.9
97.06512	6.9
97.10153	13.6
97.55941	1.1
98.21441	1.2
99.08077	3.2
105.07010	18.3
107.04896	1.4
107.08572	28.5
109.06503	4.7
109.10138	44.7
110.10467	1.8
111.08059	15.7
111.11720	9.5
115.56654	1.1
119.04926	2.5
119.08553	13.7
121.10124	21.0
123.08046	3.5
123.11689	33.6
125.09578	3.4
125.13270	3.2
127.07504	1.8
129.21825	1.2
133.10098	9.3
135.08034	1.3
135.11661	15.4
137.09586	4.8
137.13232	14.8
139.11122	5.6
141.09114	1.6
141.12717	1.7
147.04388	8.0
147.11653	15.0
149.13231	15.3
150.13474	1.2
151.11165	2.5
151.14789	5.5
151.98196	1.1
153.12764	7.0
155.10680	1.9
155.14293	2.8
161.13203	9.0
163.14784	6.9
165.12759	7.8
165.16356	2.0
167.14325	1.8
169.12131	1.5
171.11650	1.3
175.13187	1.0
175.14787	3.4
177.16327	5.3
179.14314	1.3
179.17949	1.7
181.58174	1.0
183.13834	1.9
189.16356	4.6
191.17937	3.5
193.19397	1.6
203.17909	4.0
205.19421	2.1
217.19452	4.6
221.09325	1.2
233.22801	1.3
247.24100	2.2
261.25589	1.4
273.25729	15.8
277.08487	2.5
281.11707	1.4
281.28296	1.5
291.19559	1.5
291.23523	2.5
291.26755	17.7
292.27020	1.3
292.45096	1.2
309.11096	5.0
309.24237	2.2
309.27798	25.8
310.28183	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2782
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.70439	0.8
53.03934	1.6
55.01862	3.0
55.05499	23.4
56.31571	0.8
57.03426	1.8
57.07064	17.9
59.04984	3.2
65.03922	1.6
65.94412	0.8
67.05495	29.3
68.05814	1.3
69.03416	6.9
69.07057	66.9
69.97663	3.9
70.07385	1.6
71.04979	4.8
71.08614	9.9
73.06526	2.3
76.39843	0.8
79.05478	14.0
81.03404	2.1
81.07045	100.0
82.07382	1.9
83.04969	3.4
83.08603	27.1
84.07604	0.8
85.02871	1.2
85.06525	11.3
85.10170	2.7
91.05461	7.6
93.07028	28.4
95.04964	3.0
95.08591	79.1
96.08945	1.5
97.02868	1.0
97.06509	5.8
97.10147	11.9
99.08079	8.6
101.87912	0.8
105.07017	10.8
107.04890	0.9
107.08575	29.9
108.08884	1.1
109.02872	2.7
109.06526	4.2
109.10139	51.2
111.08063	16.5
111.11687	9.8
113.09655	1.8
115.07514	1.0
119.04932	6.1
119.08559	10.4
121.10130	19.9
123.08051	2.2
123.11689	46.2
124.12055	0.9
125.09618	3.6
125.13236	2.4
127.03889	1.6
127.07555	0.9
127.11182	1.5
129.06891	1.3
131.08548	1.0
133.10107	6.8
135.08064	1.0
135.11670	15.6
137.05928	1.0
137.09583	1.9
137.13228	15.7
139.11163	7.1
141.12698	2.0
143.08531	1.3
145.10100	2.2
147.04384	29.4
147.11652	7.0
148.04756	1.2
149.09645	1.2
149.13235	15.9
151.11191	1.1
151.14819	5.9
153.12700	7.3
161.13228	6.0
163.14810	13.3
165.09142	1.2
165.12753	5.4
165.16359	1.2
167.14296	3.1
169.10133	1.0
171.11632	0.9
175.14807	2.5
177.16357	7.9
179.14240	0.9
189.16341	2.0
191.17950	4.5
193.15860	0.9
203.17950	2.5
205.19580	1.7
206.07324	0.9
209.13071	0.9
209.18962	2.3
217.19485	3.9
221.19028	1.2
234.06693	4.0
235.07399	0.9
235.20494	1.9
249.08992	2.4
251.07054	1.1
251.57587	0.8
253.08505	0.9
273.18591	1.2
273.25705	9.4
277.08655	5.7
279.26797	3.4
281.11600	2.4
291.15982	0.9
291.23447	1.2
291.26715	23.8
292.27173	1.7
309.10941	8.8
309.17014	1.3
309.27930	25.8
310.11554	1.7
310.28119	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2418
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.25434	1.2
53.03944	2.6
55.01864	1.8
55.05506	13.4
57.03418	4.7
57.07061	4.2
67.05492	35.8
69.03412	3.0
69.07056	14.9
69.44555	7.8
69.44987	5.4
71.04984	3.1
71.08623	44.2
72.05954	1.5
73.06544	1.3
79.05481	29.9
81.03403	5.4
81.07043	44.4
83.04964	9.7
83.08598	8.5
85.06533	3.1
91.05463	19.1
93.07030	43.0
95.04992	6.7
95.05489	1.6
95.08591	31.0
97.06522	8.4
97.10149	2.6
99.08073	39.0
105.07010	15.0
107.04951	4.2
107.08578	26.7
109.06518	3.1
109.10122	13.1
111.08074	2.0
112.58828	1.1
113.09645	2.3
117.07030	2.1
119.08566	13.4
120.82326	1.4
121.10120	27.8
123.08054	2.8
123.11654	2.7
127.11217	2.0
129.06947	1.4
131.08572	4.5
133.10114	10.8
135.11664	33.6
137.09586	4.6
139.07394	1.3
139.11185	1.5
141.09087	2.6
143.08563	1.5
145.10107	4.9
147.04367	2.5
147.11676	5.1
149.13246	9.2
151.11150	16.5
153.12677	2.4
159.11668	5.7
161.13257	11.5
163.11156	6.6
163.14824	1.8
165.12711	2.6
167.10603	2.2
171.11720	2.5
173.13133	1.4
175.14810	1.6
177.12645	2.4
179.14290	100.0
180.14664	3.0
181.12222	2.2
187.14801	1.6
189.12698	2.3
195.13829	2.0
207.13773	1.4
221.15382	2.6
230.07021	1.3
235.16888	3.2
241.19551	3.2
259.20590	5.9
277.21567	65.1
278.21841	2.8
291.23105	2.1
309.24417	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	309.2782
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03929	1.8
55.01863	6.2
55.05498	27.7
55.44152	1.3
57.03427	3.4
57.07066	14.0
59.04982	4.4
65.03894	1.3
67.05493	36.6
69.03421	8.9
69.07058	73.9
70.68063	3.7
71.04981	11.6
71.08633	7.8
79.05481	16.6
81.03401	1.7
81.07043	100.0
83.04966	5.1
83.08604	32.6
84.08930	1.6
85.02860	1.7
85.06534	14.1
85.10168	1.6
89.06023	3.2
91.05460	12.9
93.07029	40.5
94.07349	1.6
95.04959	6.0
95.08591	80.4
96.08952	2.2
97.06520	11.7
97.10152	14.5
99.08077	5.6
99.64943	1.2
100.11259	2.4
105.07014	20.7
107.08575	33.1
109.06490	6.3
109.10142	49.7
110.10503	1.7
111.08065	43.1
111.11674	8.3
113.05973	1.3
113.09593	2.5
115.07558	2.0
117.07038	2.0
119.04935	3.3
119.08572	12.9
121.10125	20.7
122.10468	1.7
123.08064	3.3
123.11694	45.5
124.12022	1.7
125.09628	8.2
125.13226	3.8
131.08548	3.8
133.10121	10.9
135.08009	1.5
135.11681	15.6
137.09619	3.9
137.13248	13.9
139.11176	7.7
145.10091	2.6
147.04381	14.7
147.07932	1.5
147.11668	14.7
149.09668	1.8
149.13251	18.1
151.11195	3.3
151.14833	4.9
153.12735	13.6
155.14340	3.1
157.10158	2.2
159.11624	2.9
161.13205	7.2
163.11180	1.5
163.14795	7.9
165.12723	8.6
165.16440	1.5
167.07047	1.9
167.14330	2.4
167.15881	1.2
171.11693	1.7
175.14781	4.1
177.16336	5.3
179.14250	2.1
179.17963	4.5
183.08557	1.4
183.13794	2.9
189.16457	2.3
191.17912	4.6
203.17880	2.9
209.19049	2.8
217.19420	4.6
235.13223	1.6
238.38647	1.3
246.71236	1.7
247.24364	1.4
249.09061	3.4
255.17363	1.5
261.25793	3.3
262.00470	1.6
273.18381	3.1
273.25763	8.3
277.08554	3.2
279.26840	5.9
281.11697	6.3
282.12198	1.3
291.19659	3.0
291.23355	2.2
291.26782	16.9
292.27127	1.8
296.24542	2.4
309.11093	6.8
309.24677	2.3
309.27878	26.0
310.24371	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01863	5.5
55.05503	26.2
56.55879	2.5
57.03425	11.6
57.07053	11.5
57.23887	2.6
59.01760	2.5
59.05003	2.7
61.62910	2.6
63.76414	2.5
66.40903	2.2
67.05499	34.0
69.03400	4.3
69.06766	2.9
69.07064	32.3
71.04977	8.3
71.08609	3.7
71.62917	4.6
79.05479	33.0
81.03404	6.1
81.07043	60.3
83.04967	8.5
83.08598	14.6
85.02910	3.9
91.05466	48.1
93.07031	87.6
95.04959	54.4
95.08595	63.2
97.06516	28.8
97.10146	7.7
99.08089	3.3
100.02495	4.0
103.05415	3.7
105.06303	4.3
105.07012	83.1
107.04937	6.4
107.08581	36.6
109.02314	2.6
109.06504	15.3
109.10139	39.2
115.05495	4.3
117.06998	18.5
117.89400	2.9
119.04980	4.7
119.08562	75.2
121.06499	9.2
121.10126	100.0
122.10464	4.5
123.08043	17.0
123.11686	15.3
128.06218	7.5
129.06985	12.3
130.07745	5.9
131.08553	38.9
133.10120	50.0
135.08067	3.5
135.11655	14.7
137.09572	4.8
141.05156	3.2
141.06982	5.1
142.07735	14.3
143.08542	28.0
144.09319	8.6
145.10109	50.1
147.04407	14.5
147.07980	6.4
147.11673	18.9
149.09584	4.8
149.13263	6.1
150.51941	2.4
154.07707	3.3
155.08549	10.0
156.09297	10.2
157.10121	32.3
158.10869	5.0
159.11658	35.4
161.09538	12.7
161.13246	9.5
163.11176	4.9
167.07166	3.6
167.08537	4.6
168.09334	4.6
169.10121	13.0
170.10826	4.0
171.11713	19.1
172.12354	2.8
173.09657	3.7
173.13257	20.6
175.11188	3.7
175.14796	8.4
177.16251	3.0
179.08482	4.4
181.10129	6.4
182.10825	3.1
182.65207	2.7
183.11588	12.5
185.13264	11.5
187.11189	11.9
187.14789	21.5
189.12672	5.6
189.16348	4.5
194.10994	3.4
195.11708	8.5
197.13266	14.6
199.14815	11.2
200.57303	2.5
201.12642	3.4
201.16249	3.9
207.11690	6.2
209.13261	5.0
210.14055	3.0
211.14795	7.8
213.16255	3.1
215.14290	4.4
221.13237	5.7
223.14807	5.7
225.16251	6.1
232.59541	2.7
235.14746	7.2
239.17972	6.5
249.25836	3.7
253.15634	4.4
253.19571	4.7
267.17615	3.2
277.21445	3.0
281.22662	6.2
291.20520	5.8
291.23590	4.0
309.22049	78.1
309.25186	4.2
309.70731	3.5
310.22437	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	309.2206
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03920	4.3
53.84450	1.8
55.01852	4.5
55.05505	19.2
57.03418	4.9
57.07049	7.0
59.04977	2.1
62.51937	2.2
65.03928	3.9
67.05492	34.5
69.03410	4.5
69.07058	20.5
71.04954	5.7
71.08637	2.4
71.62210	3.0
79.05057	2.8
79.05481	31.4
81.03415	3.6
81.06575	3.1
81.07037	52.6
82.99812	1.9
83.04958	4.2
83.08588	7.7
85.06508	2.4
86.14121	1.8
91.05463	49.0
93.07030	80.0
93.07618	3.9
95.04955	52.5
95.08589	57.6
97.06512	19.1
97.10121	2.4
103.05417	3.1
105.04512	2.2
105.07016	80.9
107.04932	2.2
107.08578	44.1
109.06503	15.8
109.10133	33.2
115.05418	3.8
116.06199	3.3
117.07005	16.1
119.04909	3.0
119.08563	71.2
121.06473	10.2
121.10125	97.2
123.08068	9.6
123.11655	11.3
127.03896	2.3
128.06160	10.2
129.06981	15.0
130.07748	5.1
131.08546	40.4
133.06497	3.5
133.07536	2.7
133.10106	49.7
135.08025	5.1
135.11676	14.1
137.09633	2.3
137.13225	2.2
141.06914	4.4
142.07727	11.5
142.56003	1.9
143.08548	26.8
144.09280	9.0
145.06470	4.6
145.10101	55.6
147.04387	12.5
147.08018	5.8
147.11641	12.7
149.09605	4.5
149.13309	2.5
150.15289	2.1
151.11115	2.5
154.07780	2.2
155.08522	12.3
156.09312	10.3
157.10095	38.7
158.10815	3.9
159.08020	5.5
159.11671	48.9
161.09599	9.9
161.13219	9.1
163.11130	3.3
164.98398	4.0
165.06876	2.6
167.08638	4.8
169.10069	18.7
170.10811	7.8
171.08145	2.8
171.11668	22.6
173.09595	3.2
173.13232	20.7
175.11133	3.8
175.14760	10.1
179.08517	5.0
180.09352	3.7
181.10086	8.4
182.10889	4.1
183.11714	16.4
184.12486	3.8
185.13213	18.4
187.11227	14.1
187.14783	25.4
189.12648	4.9
192.09283	3.4
193.10095	5.3
194.10936	3.7
195.11620	8.2
196.12437	4.6
197.13237	13.7
199.11163	3.0
199.14748	12.4
201.12712	3.1
201.16428	3.1
207.11664	5.3
209.13235	9.1
211.14803	10.4
213.16348	5.9
215.14227	4.9
217.89775	1.9
218.99634	2.2
221.13191	4.9
223.14769	7.3
225.12793	2.1
225.16293	8.6
229.15825	2.3
235.14725	7.9
239.14279	3.1
239.17917	7.1
240.37767	1.9
241.15807	2.4
241.19447	2.4
249.16338	4.0
253.15733	6.6
253.19449	5.3
265.19522	3.6
267.17465	3.4
281.22583	6.4
291.21005	9.7
297.03397	2.3
309.22031	100.0
310.22311	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	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03938	2.3
55.01867	19.3
55.05259	2.2
55.05503	28.7
57.03428	5.2
57.07050	3.7
57.15370	1.4
64.38830	1.6
65.03926	4.4
67.05497	70.1
68.05827	2.5
69.03403	6.3
69.07058	34.1
69.35268	1.7
71.04969	9.5
79.05051	3.4
79.05479	47.0
81.03413	4.3
81.07043	87.5
82.07393	2.8
83.01321	3.0
83.04961	14.7
83.08605	15.7
85.02892	4.1
85.06532	8.0
91.05471	47.8
92.74836	1.9
93.07027	51.8
94.07381	1.7
95.04964	12.4
95.08592	32.3
97.02860	1.9
97.06516	9.0
97.10156	4.7
98.20652	2.6
99.04430	2.9
99.08051	3.3
105.07018	55.9
106.26038	1.6
107.04938	7.5
107.08578	58.0
107.09288	3.7
109.02847	2.1
109.06515	13.6
109.10138	88.0
111.04411	6.2
111.08067	9.6
113.05969	5.4
117.06998	5.8
119.04947	2.0
119.08577	17.4
121.06479	12.3
121.10093	12.1
123.04383	2.5
123.08089	8.5
123.11675	12.0
125.05972	3.3
125.09632	4.9
127.07522	4.1
128.06248	2.1
129.06975	5.2
131.08553	15.8
133.06480	8.7
133.10109	100.0
135.08032	7.6
135.11664	8.8
137.05936	3.0
137.09607	5.8
139.07526	7.1
139.11145	2.6
143.08522	7.5
145.10091	14.9
147.04387	4.6
147.08023	11.1
147.11702	7.8
149.09587	8.1
149.13223	5.8
151.11154	63.6
155.08635	1.8
157.10129	5.2
159.08051	2.4
159.11655	6.1
161.09550	13.8
161.13263	4.0
163.11136	4.1
165.09129	1.8
167.10652	2.6
169.10063	2.9
169.12198	20.9
171.11694	9.3
173.09598	3.2
173.13261	3.5
175.11162	7.4
179.10631	4.5
179.14284	2.2
181.08560	5.0
185.13234	3.9
187.11090	1.8
189.11212	2.7
189.12727	4.1
197.11475	1.9
199.11162	3.8
199.14825	2.1
203.14360	3.6
207.13840	2.6
213.12798	1.9
215.12767	6.5
217.12192	3.0
218.40193	1.8
220.87805	1.8
227.17921	6.3
231.13644	2.5
243.83325	2.0
245.18999	20.0
249.14787	2.0
255.17357	5.6
263.19965	15.6
273.18466	40.8
274.18890	2.5
291.19476	83.6
292.19873	3.6
295.59378	2.0
309.20486	31.0
309.25162	3.3
310.21048	3.5
333.32449	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2054
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01868	3.4
55.05507	5.8
57.03429	33.0
57.07076	2.4
65.03932	1.2
67.05494	27.1
69.03423	1.2
69.07061	5.7
69.48281	7.7
71.04987	3.4
79.05490	11.7
81.03413	1.8
81.07046	14.1
83.04984	1.3
83.08614	2.5
85.06532	33.1
91.05466	9.8
93.07024	12.2
93.32703	0.9
95.04955	39.5
95.08603	7.6
97.06518	2.9
97.10159	1.6
105.07018	7.6
107.04958	2.4
107.08569	8.8
109.06504	38.3
109.10147	4.1
111.08047	1.4
113.05991	100.0
114.06335	1.7
117.07007	4.9
119.08559	5.0
121.06465	2.2
121.10143	3.5
123.08043	2.1
123.11697	1.0
129.07013	2.7
131.08543	6.5
133.06493	1.1
133.10124	2.7
133.55180	1.0
135.08040	29.1
135.11676	3.4
143.08571	4.6
145.10170	5.1
147.04431	3.3
147.08017	2.8
147.11691	1.7
149.09567	2.3
157.10124	3.4
159.08177	1.1
159.11696	3.0
161.09555	4.7
161.13284	1.2
163.11188	1.6
171.11690	2.3
173.13245	1.7
175.11179	1.2
177.12779	2.1
183.11681	1.7
195.13881	1.1
199.14813	2.7
201.12646	1.5
217.15857	12.3
227.18033	1.6
237.16660	1.1
245.19008	1.3
255.17505	2.1
273.15781	0.7
273.18463	19.7
291.19501	54.7
292.19958	3.4
309.20807	1.6
324.69046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2053
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03921	1.2
55.01848	3.0
55.05501	21.0
57.03400	1.0
57.07044	1.4
59.04982	1.1
63.54834	0.5
65.03928	0.6
67.05161	0.9
67.05489	10.3
69.03421	3.4
69.07056	10.4
70.15008	1.1
70.15415	2.2
71.04954	1.2
79.05472	11.5
80.94165	0.5
81.03387	1.6
81.07041	12.7
81.95029	0.6
83.04964	3.2
83.08137	0.6
83.08601	9.7
85.02887	0.7
85.06485	0.8
91.05457	6.4
93.07022	7.5
95.01318	0.7
95.04961	3.5
95.08594	5.8
97.02874	1.2
97.06478	2.0
97.10149	17.1
101.09625	0.6
105.07014	4.7
107.04923	2.4
107.08580	8.2
109.02856	1.1
109.06487	1.4
109.07632	0.6
109.10174	2.6
111.04420	1.6
111.08035	1.1
111.11600	0.6
117.06992	3.0
119.04846	0.5
119.08545	6.7
121.06487	2.0
121.10118	3.3
123.04374	0.7
123.08034	5.1
123.11723	0.6
125.09616	11.3
129.06976	1.5
130.07755	0.7
131.08530	3.7
133.06467	2.1
133.10097	2.4
135.08025	2.3
135.11639	1.5
137.09590	1.8
139.11115	0.6
143.08525	1.7
145.10063	2.5
147.04391	1.2
147.08026	2.9
147.11702	2.8
149.09572	1.1
149.13239	0.7
153.09047	0.7
157.10080	1.2
159.11661	1.3
161.09583	1.5
161.13202	0.6
162.10402	0.8
163.11131	1.4
165.09100	2.5
171.10103	0.9
171.11522	1.1
175.11147	1.5
185.13165	0.5
189.11189	7.8
189.12738	0.9
193.12288	1.1
199.11165	0.7
213.98868	0.5
217.12303	0.5
223.13234	4.8
227.17838	0.7
245.18918	0.7
249.14809	1.4
255.17305	1.0
263.20081	1.0
273.18433	9.0
274.18814	0.6
291.19485	100.0
292.19830	7.1
309.20578	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	308.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52192	0.5
50.67842	0.5
53.03912	0.8
55.01854	1.7
55.05500	5.7
56.96533	0.7
57.03411	0.9
58.06594	0.8
58.99572	1.3
61.02912	1.0
65.03921	2.1
67.05481	1.6
69.03414	6.6
69.07053	0.9
69.61371	3.4
71.04961	0.8
73.02901	1.2
74.06073	0.5
76.02213	6.1
76.03952	0.7
81.03406	3.4
83.04969	24.0
84.04495	2.8
84.08129	0.9
85.02888	11.0
85.06541	1.4
87.02826	0.5
87.04436	0.6
91.03959	0.8
92.37036	0.5
92.64044	0.6
95.04952	4.9
97.02879	3.7
98.21444	0.5
98.97578	0.7
99.04388	0.6
102.09127	0.5
103.41282	0.5
107.04928	1.0
109.02886	5.0
111.04422	100.0
112.04762	1.4
114.29655	0.5
115.03941	0.5
116.01617	1.0
116.98565	0.7
123.04427	1.0
126.05559	0.6
127.03875	2.9
128.07025	0.7
128.10710	2.8
129.05487	1.0
129.09062	1.1
130.04974	1.2
131.06831	0.6
135.04395	1.2
139.03876	12.8
140.04214	11.3
144.01141	0.9
145.04939	2.0
146.05984	23.9
146.08049	1.4
146.11713	3.3
147.04424	0.9
147.06342	0.8
149.05949	0.7
151.03859	0.8
153.01826	1.4
153.05516	0.7
155.03432	0.6
159.06302	0.7
161.01234	0.6
161.05959	0.6
162.02170	1.9
163.03885	1.4
164.04213	1.2
169.04976	1.6
172.06590	0.5
174.11276	0.5
177.05415	1.4
179.04840	4.0
181.05020	0.8
182.05331	0.8
204.08669	0.6
219.06436	0.8
237.07567	1.1
255.08597	4.7
262.10699	0.7
273.09564	1.3
308.08255	0.8
308.11371	1.7
308.16934	1.7
309.14102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92916	0.1
51.02365	0.1
53.03949	0.1
55.05489	0.7
57.07071	0.3
61.02912	0.4
64.79980	0.1
65.03940	0.5
67.05507	0.9
69.03422	7.7
69.07063	1.4
71.08595	0.3
71.16223	0.3
79.05472	0.4
81.03407	0.4
81.07047	2.2
83.04969	0.2
83.08611	0.5
85.02874	0.3
85.06519	0.2
87.32767	0.2
91.05468	5.2
93.07056	0.7
95.04930	0.3
95.08595	2.1
97.02890	0.8
97.06508	0.2
97.10159	0.2
99.04421	0.3
99.08073	0.3
105.07019	0.8
107.04993	0.2
107.08569	0.7
109.02866	0.8
109.10157	1.2
111.08084	0.5
111.11710	0.2
119.04929	18.1
119.08553	0.5
120.05246	0.3
121.10137	0.5
123.11706	0.6
127.03899	4.6
135.11671	0.5
137.13228	0.4
147.04390	100.0
148.04732	2.3
149.13179	0.4
153.12686	0.2
157.06503	0.2
161.13257	0.3
163.14902	0.2
165.05441	0.8
165.12698	0.2
177.16344	0.2
213.05348	0.2
231.06499	0.2
234.06714	0.3
249.09409	0.3
273.25760	0.2
277.08591	0.8
281.11667	0.7
291.08557	2.1
291.26843	0.6
292.82587	0.2
309.09393	1.7
309.16843	0.2
309.24643	0.2
309.27588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2626
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03941	1.6
55.01861	2.3
55.05258	1.4
55.05505	17.9
57.03426	1.1
57.07072	6.1
59.04991	1.0
65.03920	1.6
67.05494	27.8
69.03419	3.4
69.07059	48.9
70.68526	4.0
71.04975	3.2
71.08610	2.0
79.05478	14.8
81.07047	100.0
82.07397	1.5
83.04940	3.1
83.08613	14.2
85.06533	10.4
91.05458	8.5
91.35270	0.9
93.07030	31.9
95.04942	4.1
95.08593	77.5
97.06528	6.4
97.10148	6.1
99.08058	2.2
105.07017	19.3
107.08576	25.7
109.02876	1.5
109.06499	4.2
109.10142	44.8
111.08056	17.6
111.11697	10.7
113.77830	1.0
115.07601	1.3
117.07008	1.5
119.08552	11.2
121.06470	1.2
121.10130	26.2
123.08094	2.0
123.11688	60.2
125.09631	4.3
127.07535	1.3
131.08540	2.0
133.10088	6.9
135.11681	12.2
137.09599	2.7
137.13246	11.3
139.03835	1.1
139.11172	10.0
145.10117	3.8
147.11667	13.3
149.13242	15.9
151.11191	8.3
151.14803	2.0
153.12758	5.3
159.11678	3.7
161.13226	6.1
163.11127	1.4
163.14784	6.4
165.12735	11.7
167.14336	2.1
169.12260	1.2
173.13251	2.2
175.14838	3.6
177.16411	2.5
179.14275	2.0
183.13823	2.1
187.13248	1.5
187.14774	2.3
189.16389	3.5
201.16400	2.5
202.06119	1.2
203.18073	1.6
215.17957	3.9
245.22607	1.9
271.24234	5.0
277.25232	2.8
289.25195	17.1
307.09671	4.5
307.26297	40.4
308.26938	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2626
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03935	1.5
55.01859	2.0
55.05504	18.4
56.19081	1.0
57.03408	1.2
57.07067	7.6
59.04995	2.0
59.61880	1.0
67.05492	16.2
67.78918	1.0
69.03415	3.0
69.07056	100.0
69.41724	7.1
69.42160	4.2
71.04958	2.1
71.08617	3.7
71.41681	1.0
75.26822	1.0
79.05479	11.5
81.07043	58.0
83.04967	8.0
83.08601	10.1
85.06522	5.0
88.73916	1.1
89.19521	1.3
91.05470	5.3
92.02243	1.1
93.07026	23.0
95.04977	3.1
95.08591	46.5
97.06528	8.0
97.10153	7.5
99.08091	2.5
101.05979	1.2
101.60108	1.3
105.07024	10.5
107.08566	16.6
109.06533	2.9
109.10136	31.7
111.08059	6.9
111.11696	21.4
117.06989	1.2
119.08573	8.1
121.06475	1.2
121.10122	21.3
123.11687	26.0
125.09673	1.4
127.11160	1.8
129.74910	1.1
131.08560	3.0
133.10098	6.0
135.11694	11.0
137.09627	2.4
137.13214	6.6
139.11163	23.2
145.10092	3.1
147.11652	6.3
149.13232	11.5
151.11185	4.1
151.14774	1.8
153.12779	1.5
155.10637	1.2
159.11678	4.3
161.13229	6.9
163.11198	1.5
163.14807	6.2
165.12749	4.2
173.13269	4.8
175.14813	4.5
177.16385	2.5
177.66409	1.2
187.14809	1.7
189.16367	3.3
191.17896	2.1
201.16328	1.5
202.39854	1.1
203.17908	2.2
215.17975	2.8
229.19473	1.9
245.22833	2.5
259.24176	1.3
271.24152	10.0
277.25278	4.7
289.25232	14.4
307.09534	1.8
307.26273	33.1
308.09787	1.2
308.26663	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2625
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.20326	0.9
53.03915	1.3
55.05505	36.5
56.05536	1.0
57.03419	1.5
57.07069	18.8
59.04976	2.0
67.05495	21.2
69.03410	3.7
69.07060	100.0
69.65446	7.6
70.06578	2.8
71.04980	3.6
71.08625	7.2
73.38586	1.2
76.59777	1.0
79.05482	16.0
80.69587	1.0
81.03393	2.2
81.07047	74.2
83.04973	19.1
83.08131	2.0
83.08608	27.9
85.06519	3.5
85.10166	2.9
91.05466	9.3
93.07034	31.0
95.04952	4.9
95.08594	58.6
97.06523	20.5
97.10159	16.5
98.20788	2.2
99.08101	1.9
105.07013	18.9
107.07864	1.3
107.08582	29.7
109.06522	6.6
109.10141	33.8
110.32690	1.0
111.08096	5.5
111.11694	12.1
117.06995	2.9
119.08562	15.6
121.06473	2.3
121.09295	2.0
121.10133	25.4
123.08024	3.3
123.11695	17.4
125.05949	2.5
125.09636	3.7
125.13254	2.6
129.07027	1.2
131.08536	6.1
133.10104	9.4
135.08006	3.1
135.11678	18.7
137.09596	3.2
137.13208	6.8
139.03812	1.2
139.11145	9.5
145.10103	8.2
147.11667	7.3
149.09637	3.3
149.13231	12.5
151.11159	2.8
151.14818	3.1
153.12694	2.2
159.11700	9.3
161.13254	7.9
163.11160	3.8
163.14836	5.4
165.12708	5.1
167.10645	2.3
173.13229	3.1
175.14827	4.2
177.12758	1.6
177.16362	2.8
179.17972	2.1
187.14790	2.2
189.16345	3.0
191.17886	5.5
201.16367	2.3
201.20374	2.3
203.18025	2.3
205.19466	3.1
206.27757	1.1
209.19032	3.2
215.17926	3.8
243.21259	1.3
245.22910	7.3
261.25732	2.1
263.23737	1.4
271.24127	12.1
279.26917	2.2
289.25217	16.9
307.26456	43.0
308.26761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2626
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
53.03927	1.7
55.01867	1.8
55.05499	16.7
57.03414	3.2
57.07071	9.0
59.04974	1.2
65.03913	1.5
67.05495	35.0
68.82164	0.9
69.03420	5.3
69.07059	51.4
71.04984	4.9
71.08613	3.0
71.36056	1.0
71.36412	1.7
72.68930	0.9
73.06523	1.1
79.05481	20.4
81.03387	2.6
81.07045	100.0
82.07366	1.3
83.04986	5.2
83.08607	15.4
85.02921	1.2
85.06508	4.3
91.05456	12.4
93.07029	42.7
95.04948	6.9
95.08593	92.3
97.06512	6.8
97.10159	11.0
99.08073	3.2
105.07018	25.6
107.04937	1.0
107.08578	37.4
109.02858	3.9
109.06508	7.0
109.10141	54.5
111.04427	4.9
111.08072	9.2
111.11697	7.8
115.05425	1.4
117.06980	3.6
119.08562	21.3
119.12203	0.9
121.06487	2.6
121.10130	32.9
123.08052	3.9
123.11687	35.8
123.34146	1.0
125.09614	1.4
125.13256	2.4
127.07555	1.8
129.07018	1.2
131.04900	1.5
131.08546	5.6
133.06487	1.1
133.10115	19.5
135.08038	1.9
135.11670	23.2
137.09604	10.8
137.13234	15.4
139.03868	1.4
139.11162	12.0
141.09015	1.5
145.06427	3.3
145.10123	7.9
147.11650	15.4
149.12151	1.7
149.13232	17.2
151.07541	1.5
151.10306	0.8
151.11169	8.5
151.14793	5.2
153.12683	2.8
155.10661	1.2
157.06415	1.2
157.10072	1.1
159.07993	2.1
159.11671	7.5
161.13260	11.3
163.07515	1.6
163.11217	1.4
163.14804	11.7
165.09207	1.2
165.12740	10.2
165.16339	1.7
167.14323	2.0
169.12238	1.9
173.05956	2.8
173.13261	4.9
175.14813	8.2
177.12747	1.8
177.16306	6.1
179.14310	2.5
179.17981	1.7
181.08551	10.4
181.12151	1.3
183.08063	1.0
183.13734	1.1
185.06078	1.1
187.07504	1.9
187.14813	3.6
189.16357	8.9
191.06973	1.7
191.17880	2.2
193.08539	1.1
193.15877	1.9
201.09090	1.5
201.16277	4.8
203.17911	2.9
205.08580	2.8
205.19498	1.6
207.06468	2.0
207.17421	2.6
209.08095	1.3
215.07033	1.4
215.17935	12.6
219.08258	1.1
219.10124	2.1
221.08089	1.6
229.08505	1.9
229.19353	1.5
231.21030	1.3
233.08095	1.1
233.18983	2.7
245.22458	2.0
247.09654	2.9
261.11166	3.0
263.06339	1.0
271.24176	24.1
277.25192	1.5
289.10410	1.0
289.25247	23.2
307.09167	1.7
307.12177	1.3
307.26270	50.9
308.26736	1.4
327.69937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2625
Annotation	Trixagodiol C
Peak:m/z	Relative Intensity
53.03936	2.0
55.01855	2.2
55.05252	1.2
55.05500	12.6
57.03423	1.6
57.07067	5.1
59.04979	2.1
67.05491	17.1
69.03416	4.8
69.07056	51.4
70.57247	1.8
70.57648	1.8
71.04984	5.7
71.08619	2.1
73.06528	1.0
75.66043	0.8
79.05469	12.0
81.03403	1.2
81.07044	100.0
82.07325	1.1
83.04969	3.1
83.08600	9.0
85.06530	4.9
89.22823	1.0
91.05473	10.2
92.78831	0.8
93.07030	49.3
95.04967	5.4
95.08590	42.5
97.06511	12.1
97.10153	5.6
99.08063	2.9
105.07014	15.4
107.08578	40.9
107.52301	0.9
109.06483	8.0
109.09445	1.8
109.10141	25.5
111.08061	23.2
111.08832	0.9
111.11703	12.3
119.06118	1.0
119.08546	6.6
121.06531	1.1
121.10124	16.9
123.08023	1.4
123.11687	31.0
125.09602	3.2
125.13219	1.0
127.11238	1.4
131.08542	1.6
133.10117	20.5
135.08028	1.4
135.11671	9.7
137.09589	3.2
137.13248	10.2
139.11159	23.1
145.10077	3.4
147.11667	6.6
149.13231	8.8
151.11157	54.6
151.14761	1.1
153.12718	2.6
157.12267	1.2
159.11678	2.4
161.13211	5.2
163.11136	1.6
163.14795	6.0
165.12724	9.4
167.14290	1.1
169.12225	7.8
173.13293	1.7
175.14777	3.4
177.16356	5.2
179.14227	1.2
181.15823	1.0
187.14824	1.7
189.16399	3.1
191.17944	2.4
195.17404	1.3
201.16335	1.3
203.17952	1.6
207.17426	2.7
215.17955	2.4
219.06461	1.1
221.18936	1.5
233.08246	1.2
233.19025	1.4
245.22604	1.9
259.24179	1.0
271.24078	6.3
277.25186	4.2
289.25250	22.2
307.26276	61.6
308.26379	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2626
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03928	3.1
55.01863	1.3
55.05267	1.7
55.05505	23.2
57.03411	1.2
57.07068	9.4
57.14787	1.0
59.04976	2.9
62.36673	0.8
63.28857	0.8
65.03913	1.5
67.05169	1.6
67.05495	21.4
69.03419	6.4
69.07059	96.4
69.41661	7.8
69.42071	2.0
70.36539	0.9
70.90840	0.9
71.04972	4.2
71.08600	3.5
71.15825	0.9
74.91094	0.9
75.86543	1.1
77.03961	1.0
79.05483	15.4
81.03387	2.7
81.07044	100.0
82.07365	1.1
83.04952	4.6
83.08604	18.0
85.06536	7.4
87.04436	1.0
91.04970	1.0
91.05475	12.7
92.83003	0.9
93.07031	41.1
95.04962	6.4
95.08594	60.6
97.06506	10.6
97.10152	7.7
99.04476	1.0
99.08047	3.9
105.07018	36.5
107.08581	36.0
109.02864	2.4
109.06532	9.0
109.10142	37.7
111.07355	1.3
111.08067	14.7
111.11709	21.8
113.06011	1.4
113.09590	1.1
117.07023	2.4
119.07771	1.6
119.08563	18.9
119.09361	2.0
121.06474	2.0
121.10126	42.2
122.10470	1.2
123.08042	3.6
123.11691	40.5
125.09611	3.0
125.13242	1.7
127.07560	1.7
127.11237	1.5
129.06973	1.4
131.08514	3.3
133.02768	0.9
133.10114	10.7
135.11673	15.7
137.09579	3.3
137.13249	11.3
139.03918	1.3
139.11159	30.9
139.12204	2.1
145.10069	5.5
145.49750	1.1
147.10484	1.4
147.11668	25.6
149.09575	1.5
149.13234	12.7
151.11151	14.7
151.14775	3.7
153.12724	8.9
159.11668	5.3
161.07457	0.9
161.13258	5.8
163.11182	2.8
163.14786	4.7
165.12721	33.6
167.14290	5.0
169.12271	2.1
169.15901	1.6
173.13181	2.9
175.14825	3.4
177.12804	1.7
177.16350	2.9
179.14355	1.3
183.13835	1.2
187.14796	3.0
189.16362	2.2
191.17873	2.3
193.15807	2.1
201.09004	1.2
201.16354	1.6
203.17993	2.1
215.17967	2.3
217.19463	1.1
233.19040	1.9
245.22549	4.0
261.11215	1.2
261.25995	1.0
264.07764	1.2
265.62762	0.9
271.24185	7.2
277.25342	2.4
289.10757	1.1
289.17526	1.2
289.25220	28.9
292.07224	1.2
307.09250	2.0
307.26270	59.9
308.26489	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2627
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
55.05504	13.7
57.03428	1.4
57.07069	6.6
59.04996	1.4
64.01016	0.7
65.03941	0.9
67.05503	10.5
67.70988	0.7
69.03407	3.3
69.07061	100.0
70.07378	0.9
70.68121	2.1
71.04984	2.7
71.08633	1.9
73.02907	0.9
77.41088	0.7
79.05486	6.1
81.07049	38.6
83.04980	3.2
83.08618	7.5
85.06526	2.3
91.05479	4.1
93.07038	20.3
95.04950	3.7
95.08598	31.2
96.08940	0.9
97.06523	6.0
97.10165	6.1
105.07025	9.3
107.08597	15.9
109.06527	2.6
109.10144	21.8
111.08076	5.7
111.11704	22.8
112.56166	1.0
119.08562	8.1
121.06493	1.8
121.10123	17.3
123.08076	1.6
123.11697	16.9
125.09602	1.4
125.13297	1.1
130.06522	0.7
131.08568	1.6
133.10120	6.1
135.08020	2.0
135.11670	9.0
137.09644	1.5
137.13237	4.3
139.03943	1.4
139.11163	26.4
141.09052	1.1
145.10129	2.6
146.32365	0.9
147.11678	5.2
149.13263	7.6
151.11172	4.9
151.14798	2.0
153.12715	1.6
157.10165	1.2
159.11684	3.0
161.13248	5.7
163.11145	1.5
163.14807	5.1
165.12762	2.4
167.10635	0.9
167.14317	1.1
173.13277	2.6
175.14825	4.8
177.16237	2.1
179.14278	0.9
181.15840	1.1
185.09544	0.9
187.14825	2.5
189.16377	3.6
191.17912	2.3
201.16354	2.1
203.18083	1.9
205.19800	0.8
213.05615	0.9
215.17952	2.8
219.08002	0.8
233.18980	1.7
243.21187	0.9
245.22694	1.5
261.25845	1.5
271.20950	1.5
271.24216	7.5
277.25211	4.8
289.17950	1.2
289.25186	11.4
290.25677	0.9
296.05817	0.8
307.09552	3.5
307.16245	1.2
307.22635	8.4
307.26315	18.9
308.10541	1.0
308.26617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2263
Annotation	Oxandrolone
Peak:m/z	Relative Intensity
52.12980	1.2
53.03930	3.2
55.05503	19.9
57.07064	6.4
59.04995	2.1
65.03932	1.1
67.05497	33.0
69.03406	2.5
69.07058	44.5
69.85591	2.1
69.85993	8.1
71.04984	5.3
71.08601	2.3
73.01414	1.1
76.02244	1.2
79.05484	26.2
81.03408	2.0
81.07046	80.9
83.04970	4.8
83.08610	17.3
85.02834	1.6
85.06527	5.4
91.05460	16.9
93.07030	50.6
95.04952	5.8
95.08593	89.5
97.02895	1.2
97.06512	8.1
97.10150	10.2
99.08075	2.4
101.74260	1.2
105.07011	24.8
106.62164	1.1
107.05016	1.7
107.07848	2.5
107.08582	45.4
109.02866	3.2
109.06504	5.2
109.10142	100.0
110.10458	1.8
111.08075	5.9
111.11706	15.2
113.09673	1.8
117.06997	4.8
119.08563	32.0
121.06521	4.6
121.10127	42.5
122.10493	1.3
123.08106	6.3
123.11688	30.5
125.06040	3.0
125.09618	3.8
125.13210	1.8
129.06982	2.3
131.08554	12.0
133.10115	46.6
135.08006	3.9
135.11678	45.0
137.09636	5.3
137.13269	7.6
139.03883	4.0
139.07500	6.8
139.11191	4.5
141.09096	1.5
143.08559	2.3
145.10103	17.1
147.11668	29.6
149.09561	3.2
149.13226	27.6
151.11151	6.8
151.14853	1.7
153.09088	2.1
153.12735	4.1
157.07544	1.4
157.10101	3.3
159.08058	1.5
159.11667	19.2
161.09618	4.0
161.13214	10.8
163.11185	3.1
163.14812	6.7
165.09091	1.3
165.12743	3.9
167.10681	4.0
167.14192	1.4
171.11679	2.6
173.13194	9.0
175.11189	4.9
175.14848	4.0
177.12724	3.5
177.16405	2.4
179.10652	15.6
179.14076	1.3
181.04866	1.5
181.12236	3.9
187.14868	4.1
189.12787	3.5
189.16408	4.7
193.12202	19.7
195.13779	7.0
197.54472	1.2
201.12692	1.6
201.16345	3.3
203.17967	2.0
207.13756	8.7
213.16388	1.8
215.17970	5.7
217.19485	34.5
218.19792	1.7
219.08073	2.2
219.13803	2.0
227.17805	1.8
229.19479	59.0
229.21764	3.0
230.19983	2.1
231.17596	1.5
233.15305	2.3
241.19475	12.5
243.21095	1.8
245.18956	2.9
247.07574	1.8
247.20633	6.2
253.19534	4.3
259.20529	50.6
260.20917	3.0
264.07883	2.6
271.20563	15.2
271.24048	3.3
277.21619	27.0
285.09695	1.5
289.18399	1.9
289.21600	36.2
289.25174	8.6
292.07349	1.9
307.09464	7.7
307.16476	2.6
307.22656	46.0
307.26285	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	307.2263
Annotation	Oxandrolone
Peak:m/z	Relative Intensity
53.03928	2.4
53.79660	1.3
55.05505	18.2
57.07061	4.6
59.41939	1.3
61.02925	3.2
65.03931	1.7
67.05499	31.8
69.03432	2.9
69.07060	42.4
70.13713	4.7
70.14100	2.6
71.04967	5.2
71.08620	2.5
79.05485	30.2
79.99728	1.2
80.62242	1.3
81.07046	82.7
83.04976	3.8
83.08610	14.6
84.52306	1.3
85.06524	5.9
85.39112	1.2
90.46975	1.1
91.05458	19.9
93.07033	49.9
93.07624	2.8
95.04945	7.3
95.08594	88.8
96.08974	2.2
97.06520	8.1
97.10154	12.0
105.07021	23.4
107.04965	2.8
107.08579	50.2
109.02857	2.3
109.06512	6.2
109.10144	100.0
110.10488	2.1
111.08078	8.8
111.11694	13.8
117.06999	7.3
119.08563	33.5
121.06508	1.9
121.08781	2.0
121.10129	48.0
123.08057	2.9
123.11686	34.6
125.06007	3.4
125.09617	4.1
125.13231	1.5
129.07034	1.8
131.08549	9.5
133.10106	44.7
134.10457	2.1
135.08093	3.9
135.11678	49.6
137.09598	4.4
137.13225	10.5
139.03882	5.3
139.07561	7.6
139.11150	5.5
141.09088	1.9
141.12766	1.5
143.08603	1.9
145.10089	21.4
147.07997	1.8
147.11685	28.2
149.09619	5.1
149.13243	22.3
151.11186	5.4
151.14804	1.8
153.09071	3.1
153.12752	4.1
157.10097	4.2
159.11681	19.2
159.89098	1.4
161.09566	3.1
161.13194	10.8
163.11143	4.6
163.14786	5.1
165.09048	1.8
165.12718	4.0
165.21173	1.7
167.10675	3.7
167.14287	2.1
169.10080	1.7
171.11742	3.0
173.13240	9.9
175.07358	1.5
175.11191	5.7
175.14766	3.6
177.12720	3.9
177.16402	2.7
179.10648	16.1
181.12187	5.2
185.13190	1.8
187.14822	4.7
189.12695	1.8
189.16351	3.4
193.12213	20.5
195.13855	8.7
199.14745	3.3
201.12837	1.4
201.16357	6.2
203.17847	1.5
207.13762	11.7
213.16432	3.0
215.14395	1.7
215.17987	6.5
217.19498	34.8
219.07886	1.9
219.13779	2.9
227.17889	3.2
229.19485	59.4
230.19852	2.6
233.15433	1.5
241.19527	12.7
243.21170	2.4
245.18858	3.3
247.07484	2.4
247.20432	7.2
253.19511	4.4
259.20551	55.8
260.20926	2.4
261.25809	1.6
271.20563	15.1
271.24072	3.3
277.21585	30.7
278.21982	1.8
279.14435	1.4
289.18262	3.2
289.21579	39.7
289.25204	9.5
290.21799	1.6
307.09564	6.1
307.16040	2.5
307.19391	2.3
307.22629	53.9
307.26266	22.6
308.23026	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	16.0
55.01865	29.8
55.05501	24.0
57.03432	4.0
57.07048	2.3
65.03901	1.8
67.05500	56.8
69.03418	2.8
69.07059	51.6
69.63007	11.8
71.04980	4.9
73.58971	1.4
79.05485	42.7
81.03411	43.6
81.03867	1.4
81.07045	91.2
81.51809	1.5
83.04968	11.9
83.08617	9.6
85.06525	6.3
91.05472	47.0
93.07031	55.2
95.01315	8.9
95.04955	16.1
95.08593	47.9
97.06520	63.9
97.10151	5.5
98.06836	1.9
99.04450	2.5
99.08076	4.4
101.06015	1.6
103.05457	2.2
105.07018	75.4
107.04945	28.4
107.08590	29.2
109.06501	9.3
109.10133	12.5
111.04436	2.3
111.08066	7.9
117.07001	14.9
119.08569	35.9
121.02838	1.8
121.06452	7.2
121.10148	11.7
123.04381	2.9
123.08059	9.6
123.11664	4.7
125.09618	5.8
129.06969	3.8
131.04926	1.9
131.08562	23.2
133.10109	44.0
134.10477	2.2
135.08008	8.2
135.11682	20.6
137.09613	6.5
139.07515	3.5
141.06985	3.8
143.08546	4.5
145.06464	7.2
145.10106	18.5
147.11662	16.2
149.09607	12.1
149.13258	10.1
151.11121	4.3
157.10124	3.3
159.08023	2.8
159.11690	23.3
161.09673	2.1
161.13217	5.4
163.11156	7.5
165.09103	4.5
169.10080	5.5
171.11700	1.8
173.13239	6.2
175.11028	1.8
175.14847	2.4
177.12752	19.3
179.14290	15.5
183.11736	2.5
185.13194	2.7
187.11168	15.3
191.14209	2.1
195.13748	1.7
197.13138	2.2
205.12204	4.9
209.15305	7.2
219.13791	2.6
219.17410	17.2
229.19609	2.8
233.15324	2.3
239.18062	2.1
247.20512	5.6
257.18933	11.5
258.10599	1.5
275.20035	100.0
276.20428	7.2
289.21487	1.8
307.22650	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	307.2262
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03931	1.9
54.35812	0.9
55.01868	10.2
55.05260	0.9
55.05503	14.4
57.03428	1.1
57.07053	3.2
59.04977	0.9
65.96986	0.7
67.05168	1.4
67.05495	18.4
69.03404	2.3
69.07059	16.2
69.74947	4.4
71.04977	2.1
71.08598	1.3
79.05069	1.2
79.05486	19.2
81.03401	2.0
81.07047	26.6
83.04984	3.8
83.08600	8.1
85.06510	3.5
87.54337	0.7
91.04939	1.3
91.05467	13.1
93.06475	1.2
93.07036	19.0
95.04967	8.6
95.08590	23.0
96.08923	1.3
97.06519	15.7
97.10154	8.8
98.06028	2.1
98.20770	1.5
99.08091	1.6
101.06022	0.9
105.07022	16.9
107.04928	3.8
107.08579	33.7
109.06504	55.6
109.10142	9.0
110.06866	1.0
111.08067	2.2
117.06998	4.1
119.08564	12.0
121.02874	1.5
121.06485	4.0
121.10118	9.3
123.08065	5.6
123.11675	3.4
125.09625	7.8
129.07056	1.0
129.13582	0.9
130.06482	1.1
131.08524	7.5
133.10103	12.2
135.08000	4.6
135.11667	6.1
137.05940	1.6
137.09596	3.5
139.03889	1.6
139.11183	1.5
143.08546	2.2
145.10100	8.0
147.08055	0.8
147.11641	8.1
149.09601	9.0
149.13211	2.6
151.03014	0.7
151.11171	2.4
153.09059	2.0
153.12747	0.9
157.07623	1.2
157.10120	1.8
158.05948	1.4
159.11688	4.9
161.13239	3.4
163.11134	4.8
163.14847	1.5
165.12726	27.7
167.10542	0.8
169.10098	1.2
171.11671	2.2
173.13193	5.1
175.11150	1.6
175.14832	1.3
177.12698	1.6
179.14267	0.8
181.12181	1.3
183.11716	1.8
185.13272	1.5
187.11119	1.5
187.14749	2.2
189.12679	1.3
191.14246	2.2
197.13179	1.9
203.12715	7.7
205.12155	0.9
205.15939	0.9
209.15311	1.2
213.05635	0.8
229.19441	2.6
233.15283	1.9
233.19128	1.0
235.16959	0.8
239.17879	2.3
247.20532	2.6
251.16357	13.1
257.19003	4.5
261.22000	1.3
275.20013	35.2
276.20352	0.9
281.15488	0.8
289.18323	1.1
289.21570	13.7
307.22635	100.0
307.28027	20.7
308.22992	5.2
323.69925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1284
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01854	1.5
55.05486	0.4
59.90804	0.3
67.37569	0.4
69.07044	0.4
70.90371	0.8
70.90708	0.8
71.24887	0.3
81.07043	0.5
87.08094	0.5
91.05466	0.4
95.68047	0.4
98.06038	0.6
99.08133	0.4
105.07025	0.5
107.08562	1.1
108.04443	0.7
117.24802	0.4
120.04440	0.4
121.10195	0.5
122.06019	1.9
124.07622	0.6
129.06943	0.4
129.38428	0.4
132.08092	0.6
135.08025	1.6
136.07538	1.5
138.05515	0.8
139.03929	0.7
140.07069	1.9
145.06461	1.7
146.09669	0.6
148.07462	0.6
150.05493	0.9
150.09134	0.6
156.08136	0.5
158.09593	0.5
159.07921	0.4
160.07570	1.4
163.08644	0.9
163.39699	0.4
166.08586	0.5
168.06549	1.9
173.10713	0.5
174.09106	1.9
176.07077	0.7
176.10754	0.6
177.10223	1.5
178.08609	13.7
182.08115	0.8
184.07555	1.7
186.09158	0.8
187.08754	1.0
188.07028	3.4
190.08635	0.5
191.08191	0.7
191.11871	0.5
196.09756	0.8
198.09157	1.6
201.06525	0.7
201.10229	3.3
202.08604	5.3
204.10191	0.5
205.09697	3.1
206.08060	2.1
212.06903	0.5
216.10254	2.8
219.07687	0.9
219.11264	4.9
220.09691	2.5
225.10159	0.5
226.08623	2.6
229.09744	4.1
230.08069	3.0
234.09792	0.5
243.11313	1.6
244.09654	3.2
247.10739	10.4
248.09149	1.0
261.12363	1.4
262.10764	1.7
265.11789	11.7
271.10754	1.8
272.09253	1.0
289.11816	15.2
290.09918	0.7
307.12842	100.0
308.13327	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74982	0.3
55.05507	0.4
56.05024	2.1
58.06595	4.4
69.03427	0.5
69.07054	0.9
70.06605	0.3
70.14472	0.8
70.14872	0.5
71.04974	0.3
72.93769	0.4
74.02436	0.6
75.02689	0.3
81.07033	0.4
84.04496	22.6
84.08134	100.0
85.01130	0.3
85.02893	1.0
85.08472	1.2
86.06059	7.8
86.09698	6.6
88.03989	2.2
96.04481	0.4
97.02901	0.3
98.21423	0.4
98.98450	0.4
99.04475	0.3
99.09183	0.6
101.05998	0.3
102.09147	0.5
108.02228	0.3
109.02869	0.4
113.07089	0.6
114.12781	0.5
117.05467	1.0
119.04929	0.5
121.10049	0.3
123.04452	1.6
127.03886	1.0
127.07560	0.4
130.06552	1.5
130.08659	1.7
132.04419	0.8
139.03885	6.2
140.03346	0.5
141.13858	6.4
144.10208	0.5
146.05995	1.0
147.04395	0.8
150.64055	0.3
151.03886	0.6
155.03395	3.1
157.07611	2.0
158.06027	1.8
163.03900	0.7
165.05428	0.6
168.06570	0.3
169.13351	11.1
175.08659	1.1
181.05008	0.6
184.97194	0.3
198.09462	0.5
198.11209	1.6
215.13890	42.4
216.14218	1.1
243.17018	52.7
244.17390	1.5
247.05916	0.3
261.08685	1.1
262.11029	3.3
289.07758	0.4
289.11627	0.4
307.12894	1.2
307.16803	25.1
308.10870	0.3
308.17026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87978	0.9
53.57826	0.9
55.01863	7.0
55.05502	12.2
57.01888	1.1
57.03424	10.7
57.07054	4.3
59.04996	2.9
62.94253	1.2
65.03960	1.3
67.05489	19.4
69.03418	20.8
69.07056	18.9
69.44157	9.6
71.01357	5.5
71.04980	11.2
71.08604	1.1
73.02891	4.4
73.06528	1.1
74.89031	1.1
77.03913	1.6
79.05479	8.7
79.55544	1.0
80.34019	1.0
81.03413	2.3
81.07040	42.8
83.04964	17.1
83.08601	5.6
85.02890	20.8
85.06527	5.5
87.04463	8.2
89.03901	1.2
89.09819	1.1
91.05460	13.4
93.07027	19.2
95.04940	14.7
95.08591	31.9
97.02894	3.5
97.06525	7.6
97.10143	3.1
98.21517	1.7
99.04440	6.7
99.08070	1.3
101.02383	2.0
101.05979	3.4
103.03956	1.2
103.05449	30.8
105.07008	14.7
107.04937	5.7
107.08567	16.7
109.02882	1.3
109.06491	3.7
109.10140	21.0
111.04424	14.4
111.08057	12.7
111.11732	1.9
113.06013	6.3
115.03953	0.9
115.05434	20.3
116.06241	2.0
117.03366	1.9
117.05548	2.5
117.06999	26.7
118.04175	1.3
119.04921	17.1
119.08516	6.0
121.02749	1.3
121.06483	4.7
121.10116	13.7
122.03682	1.7
123.04446	1.3
123.08034	2.2
123.11684	22.2
123.12565	1.7
124.06790	1.2
124.07551	5.7
125.05965	1.3
125.09610	1.4
126.09110	3.1
127.03890	3.2
127.11147	1.5
128.06209	6.2
129.05490	6.0
129.06975	14.6
131.04901	77.2
131.08524	6.3
132.05728	1.2
133.02827	1.6
133.06482	7.1
133.10115	5.6
135.04443	2.7
135.08051	2.2
135.11655	6.2
136.07550	34.6
137.05957	44.1
137.13246	5.1
138.09114	37.6
139.05402	1.9
139.11131	2.4
140.07071	2.1
141.06963	21.9
143.04886	13.7
143.08566	2.5
144.05650	6.1
145.06468	43.4
145.10101	2.7
146.03601	7.6
147.04390	39.3
147.08031	2.9
147.11685	4.1
148.05214	6.9
149.05951	23.3
149.07097	1.7
149.13234	8.4
151.03888	2.3
151.07520	36.1
151.11154	3.9
152.07054	10.8
153.06961	3.6
153.12776	2.0
155.04865	5.1
155.08539	8.4
157.06450	15.1
158.07257	5.3
159.04422	8.2
159.08002	6.7
159.11626	1.3
160.05150	23.5
161.05959	27.5
161.07242	2.1
161.09521	1.4
161.13298	3.0
162.03108	4.4
162.06754	4.8
163.03877	3.8
163.07513	100.0
163.14799	2.2
164.04794	2.6
164.07028	71.3
165.05531	2.6
165.07024	3.2
165.09073	18.8
167.04971	1.6
167.07034	4.0
167.08583	1.6
168.05684	4.9
169.06468	26.9
169.12248	2.6
170.08208	2.6
171.04413	4.2
171.08009	5.8
172.05176	6.2
173.05933	10.7
173.09622	3.0
173.13284	1.7
174.06721	9.2
175.07520	59.3
175.14796	2.1
176.04659	6.4
176.08260	4.2
177.05446	48.5
177.09048	21.1
178.06224	8.8
179.07002	31.7
179.08302	1.3
181.06511	3.5
181.08597	3.8
182.08200	14.2
183.04451	2.6
183.08041	14.6
184.05196	3.4
185.05946	9.3
186.06714	7.2
187.07506	38.7
187.13200	1.4
188.04671	1.5
188.08130	3.1
189.05484	7.3
189.09068	22.5
189.16357	1.5
190.06219	5.1
191.06985	54.9
191.10658	4.2
192.07758	1.8
193.06819	1.8
193.08556	13.6
195.06465	5.7
196.05165	3.0
197.05957	15.1
198.06827	2.4
199.07509	10.2
200.04593	1.5
200.08345	3.9
201.05350	1.9
201.09076	34.5
203.07014	21.6
203.08931	1.1
203.10640	1.4
204.07721	2.9
205.04868	2.4
205.08568	23.1
205.12212	2.2
207.06541	2.5
209.06229	1.1
209.07979	2.3
210.06650	2.5
211.07495	17.2
212.08104	1.4
213.05469	3.7
213.09087	2.3
214.06230	5.1
214.09584	1.1
215.07103	10.3
215.10583	15.4
215.17900	2.3
216.07733	2.1
217.08580	19.3
218.09203	2.2
219.06482	3.0
219.10168	8.8
221.08058	3.3
225.09073	5.8
226.30760	1.1
227.07036	2.3
228.07832	2.7
229.08540	42.2
230.09215	2.1
231.10196	4.6
233.08037	21.8
233.11694	2.2
239.07002	1.9
241.08636	3.0
243.10135	20.5
245.08087	4.5
247.09602	13.1
249.07681	1.3
253.70407	1.2
259.09564	10.1
261.11179	11.5
263.09171	3.8
265.10785	1.4
271.09485	7.9
271.24097	2.4
277.10519	1.9
289.10657	15.5
289.15421	3.5
289.25113	6.6
307.11789	51.2
307.26208	20.0
307.29425	1.6
308.12357	1.3
317.06940	1.5
327.63690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46017	1.0
50.73180	1.2
51.02360	1.2
55.01877	1.4
56.41685	1.0
67.01831	1.3
67.05520	1.4
68.99787	3.4
69.03430	1.1
71.04984	2.0
71.61443	1.8
71.61829	1.8
79.05490	1.5
81.03396	3.5
81.07046	1.8
84.40144	1.1
84.95144	1.1
85.02895	3.2
87.00826	2.9
91.05473	2.9
94.06563	2.9
95.04964	1.4
97.02871	1.7
97.06551	1.5
98.98382	1.0
99.04467	1.1
105.03423	1.3
109.02850	3.4
115.05418	2.0
117.05489	3.5
119.04919	5.5
123.04411	39.0
123.05305	2.1
124.04735	1.5
127.03906	4.2
130.06508	93.6
131.04926	1.3
131.06880	3.2
132.04424	24.6
132.05389	1.8
133.06488	1.2
135.04402	1.9
137.02338	3.8
137.05936	1.8
139.03873	25.2
139.04897	2.0
140.04335	1.3
145.06508	1.2
146.05988	7.1
147.04388	23.0
153.05388	1.2
155.03371	62.8
156.03731	4.2
157.07585	88.9
158.05988	100.0
158.08067	2.5
159.06345	4.4
161.05901	1.6
163.03857	5.1
165.05449	14.8
171.08124	1.4
173.05836	1.7
173.07167	3.3
175.08649	57.8
176.09024	2.7
177.05443	3.1
181.04962	1.5
181.64607	1.2
185.06027	1.3
197.07059	3.0
199.08649	3.9
201.06721	6.2
203.08110	5.5
205.08588	3.1
221.09190	5.5
233.07980	1.3
243.07666	10.9
245.09212	3.5
247.07086	3.9
259.09656	2.3
261.08679	59.4
262.08978	2.2
271.06885	3.3
271.14432	1.9
289.08154	17.9
289.11206	1.2
289.15271	1.5
307.09027	8.8
307.12543	2.9
307.16483	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	307.0807
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
51.17689	0.2
53.00289	0.3
55.01855	0.5
56.07834	0.2
61.01816	0.2
62.90342	0.2
65.03918	1.0
65.79961	0.2
66.20673	0.2
67.05476	0.6
68.99772	0.7
69.51867	1.6
78.12305	0.2
79.05458	0.3
83.04972	0.5
85.02905	0.3
88.78239	0.2
93.03373	0.5
95.04950	1.0
97.02870	0.3
107.04952	1.2
111.00776	0.2
111.04413	1.3
117.03399	0.3
121.02848	0.7
123.04429	1.3
127.03906	0.7
131.04900	0.8
133.02837	1.6
135.04402	2.2
139.03876	100.0
140.04204	2.4
145.02826	0.4
147.04317	0.2
149.05931	0.8
151.03899	3.8
151.75380	0.2
153.01758	0.5
153.05383	1.1
159.04388	2.4
163.03888	7.3
164.04132	0.3
167.07054	0.4
169.04910	2.8
177.05447	3.2
179.04857	0.2
181.04932	5.9
195.06514	2.7
205.04973	0.9
223.05951	1.0
247.05980	0.5
265.73837	0.2
289.07016	1.3
307.08035	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12899	1.3
53.03921	2.2
55.01860	2.8
55.05485	2.0
56.96557	14.3
57.03419	4.5
58.99882	1.3
59.04972	1.4
61.02904	4.5
67.05484	3.3
67.69721	1.4
69.03411	11.1
71.04967	2.6
71.61795	2.5
73.02890	2.9
74.48849	1.3
74.97610	1.2
80.29990	1.3
81.03395	4.5
81.07040	1.6
82.99870	1.5
83.04977	4.1
84.04478	2.7
84.08124	4.5
84.96019	2.4
85.02893	17.9
86.09663	1.6
87.04453	2.9
91.05442	1.4
95.04973	1.8
95.94509	1.3
97.02878	10.7
98.97569	9.7
99.04435	3.2
101.00856	14.7
103.05480	1.4
107.04902	2.8
109.02875	3.6
110.97612	1.8
111.04416	4.2
113.00890	2.4
115.00694	1.8
115.02406	4.0
115.03826	1.6
116.98618	8.3
117.04034	1.4
119.01910	65.2
119.04953	1.7
120.01941	3.6
121.01661	6.6
123.08008	1.5
127.03879	7.6
128.98599	3.4
129.03972	2.7
130.06534	2.9
130.08624	1.2
131.00258	1.7
131.01897	13.7
131.44635	1.4
133.01648	4.8
133.03465	9.9
134.99641	2.9
135.04305	1.9
137.02931	19.2
137.05943	5.3
139.03880	63.7
141.03862	1.5
143.00175	1.7
143.01863	9.5
145.03461	14.3
145.04950	4.3
146.06055	1.5
146.99626	4.3
147.03200	2.9
147.04166	1.7
147.05132	1.9
149.01198	2.6
149.02907	2.9
150.05386	1.7
153.01857	4.0
153.05585	2.1
155.01903	6.7
157.03452	9.5
157.07564	2.9
158.05995	3.3
158.99646	2.1
159.05013	3.3
159.11601	1.6
161.01431	2.9
161.02950	27.4
161.06555	4.7
162.03082	1.4
162.99101	1.5
163.02678	3.4
163.04015	5.0
163.06305	3.1
164.07014	1.7
165.00691	2.2
165.04274	2.3
167.05481	1.7
168.99753	1.7
169.03447	10.4
169.04813	2.7
171.03227	3.4
171.05020	5.1
173.02948	11.6
174.99026	1.6
175.02751	4.2
175.04510	10.0
177.00887	9.9
177.02327	3.3
177.04163	2.4
177.05722	1.5
177.71434	1.3
181.05208	2.9
185.02928	6.9
185.06575	2.4
186.99257	2.1
187.00867	6.2
187.02927	2.9
187.04503	17.1
187.06189	2.7
187.08160	1.4
187.09908	3.5
188.04639	2.8
189.02553	2.1
189.04247	3.1
189.05978	1.9
191.04002	3.9
191.05725	1.8
193.00198	1.8
193.03662	1.5
193.05743	1.3
195.52235	1.3
197.02928	2.2
199.04420	3.2
200.10684	3.2
201.00681	1.7
201.06009	2.7
201.07756	2.1
203.03973	4.8
203.07602	4.7
205.01886	3.2
205.03766	2.3
205.05507	10.1
205.07492	4.2
207.05345	2.6
207.07202	1.7
208.99553	1.6
210.06021	1.6
215.00307	6.2
215.07741	1.9
217.02049	2.9
217.03807	2.9
217.05708	7.4
217.07443	4.2
219.01866	21.8
219.07002	2.9
219.08994	2.9
220.02159	2.7
221.05049	7.8
223.04666	3.7
224.57329	2.5
225.00905	1.4
225.06392	1.8
226.08638	2.0
229.01891	3.5
229.05492	2.5
233.10431	3.7
235.17732	1.4
237.02718	4.4
239.04309	3.6
241.05504	1.8
243.02023	6.3
243.17186	2.3
245.04927	3.0
247.02866	11.4
247.06613	49.7
248.06844	7.7
249.06432	2.0
259.06564	2.4
261.03024	100.0
261.12347	2.2
262.03223	12.9
263.03357	1.6
265.07675	65.3
266.07892	10.9
267.07394	2.3
284.04611	4.6
285.04797	2.3
288.09229	5.0
289.03726	3.2
290.10168	2.8
293.88901	1.6
305.10712	2.0
307.05350	2.0
307.08606	21.6
307.12650	20.2
308.08267	1.5
325.07913	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	307.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65871	1.4
70.30757	7.2
80.21335	1.6
100.96987	1.8
101.00859	1.5
112.09578	1.8
119.01900	2.6
158.07736	1.5
179.87662	1.8
215.24693	1.6
248.89133	1.7
261.61487	1.8
265.07687	2.1
307.07816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26638	3.3
59.57619	3.0
63.16119	3.1
69.03407	5.5
70.77913	3.7
70.78266	9.6
84.04492	4.4
85.02879	9.4
91.27668	3.4
97.02872	10.5
101.00861	9.8
109.02840	4.7
119.01904	32.4
123.27081	3.4
127.03902	10.5
127.72459	3.2
130.06528	3.8
131.01918	4.9
133.03413	3.9
137.02937	5.1
139.03880	44.3
143.01877	4.4
145.03403	3.9
157.07588	7.0
158.05997	8.1
161.02934	14.3
163.04053	3.1
165.10745	3.2
173.02959	6.8
177.02420	3.9
187.00871	5.3
187.04510	4.3
192.47427	3.2
195.28983	3.3
205.05547	4.2
215.00311	5.3
247.03050	11.2
247.06635	12.2
265.07657	14.3
289.03934	5.1
307.07770	100.0
307.12845	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09841	0.2
58.02938	0.3
69.07063	0.9
79.05487	0.3
81.07031	0.6
83.08619	0.3
91.05466	0.3
93.07035	0.4
94.04168	1.4
97.80541	0.2
107.08583	0.5
109.10143	0.7
114.07429	0.2
122.02840	0.4
122.03647	4.6
126.09167	0.3
131.27644	0.3
133.10094	0.8
135.11653	0.9
137.05963	100.0
138.06282	0.6
151.11179	0.3
153.12721	1.1
170.15356	1.8
182.15392	3.4
229.32777	0.3
306.20673	1.5
325.71289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
55.05506	1.2
56.96560	6.8
57.03429	1.4
61.02912	1.9
64.63647	0.9
64.98709	0.9
65.03934	1.3
67.05488	1.6
69.03412	4.5
71.05006	1.1
71.60863	1.1
71.61242	1.1
73.02868	1.5
81.03395	3.6
82.99860	1.0
83.04981	2.7
84.04496	1.1
84.08159	1.7
85.02897	9.1
95.04961	1.9
97.02886	6.2
98.97569	6.0
99.04433	1.7
101.00881	10.7
107.04938	2.2
109.02853	1.6
111.04430	2.9
113.00832	1.2
115.02411	2.4
116.98637	4.4
119.01911	52.3
120.02027	2.0
121.01650	2.6
121.02879	1.2
127.03902	4.3
128.98645	1.8
129.03983	1.5
131.01883	8.0
131.07362	1.1
132.02150	0.8
133.01678	2.2
133.03494	8.4
133.05215	0.9
134.99675	2.6
135.04419	3.4
137.02965	12.5
137.05954	2.8
139.03888	85.3
140.04172	1.7
142.03474	2.9
143.01860	7.9
145.03473	7.8
145.04961	3.0
146.99637	2.9
147.03218	1.8
147.05069	2.3
149.02937	1.1
151.03918	3.2
151.06337	1.7
153.01808	2.8
153.05560	1.7
155.01923	3.6
157.03496	7.8
159.01344	1.2
159.04395	1.6
160.07576	1.1
161.01454	1.2
161.02936	25.8
161.06612	1.7
162.03134	1.5
162.06316	1.3
162.99158	1.4
163.03969	8.2
163.06184	1.6
164.07060	1.2
165.04268	1.1
168.99770	1.2
169.03465	7.0
169.04895	2.0
171.05052	3.1
173.01479	1.3
173.02933	8.8
173.06277	1.1
175.02893	1.9
175.04507	6.1
177.00922	13.5
177.02438	3.5
177.04108	1.5
177.05573	2.2
179.03787	1.4
179.07463	1.4
181.03537	1.1
181.05038	5.1
181.07297	1.0
185.02919	7.1
185.06581	1.4
187.00946	5.5
187.02838	1.8
187.04506	13.2
187.09877	2.1
188.73589	0.9
189.00717	1.0
189.02402	1.0
189.04247	1.7
189.06017	2.3
191.02296	1.0
191.04027	2.5
193.03764	0.9
195.04967	1.1
195.06631	2.7
199.04553	1.8
200.10637	2.2
201.06133	1.1
203.02281	1.4
203.03981	4.7
203.07664	1.7
205.01924	2.4
205.05643	7.8
205.07382	1.3
209.76569	0.9
211.04506	1.8
214.05594	1.2
215.00323	7.1
215.14050	1.1
216.10185	1.3
217.01945	1.9
217.03754	1.8
217.04240	1.1
217.05704	5.9
219.01939	19.1
219.07092	1.0
219.09059	1.4
221.05031	4.1
223.06265	1.2
225.00963	1.4
229.01976	2.0
229.05476	1.8
233.01405	1.6
233.10451	1.2
237.02728	2.3
241.05557	1.6
243.01981	6.5
244.09744	1.6
247.02910	11.1
247.06631	32.0
248.03113	1.0
248.06917	2.5
261.03046	100.0
262.03186	7.0
265.07712	50.1
266.03503	1.1
266.08035	4.7
283.06830	1.4
284.04706	5.7
285.04581	1.4
288.09399	2.6
289.04086	3.3
289.07068	1.7
299.52240	1.0
305.10764	1.6
307.05237	2.0
307.08615	16.2
307.12720	11.8
308.08835	1.2
325.08133	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2471
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
50.30457	1.0
51.33757	1.2
53.03931	3.3
54.67136	1.1
55.01867	2.3
55.05251	1.4
55.05503	15.6
57.03428	2.9
57.07071	7.0
59.04984	1.6
65.03928	3.4
67.05164	2.2
67.05497	30.5
69.03427	7.3
69.06725	2.2
69.07060	33.8
69.35597	12.5
70.06582	1.8
71.04993	7.6
71.08589	1.3
73.98077	1.1
79.05482	17.8
81.03407	3.7
81.07048	84.5
82.07350	2.1
83.04968	6.1
83.08607	8.3
85.02884	1.6
85.06532	7.8
88.07616	1.3
89.06021	1.5
91.05466	20.4
93.07032	100.0
94.07347	2.1
95.04959	90.0
95.08595	57.6
96.05264	2.1
96.08892	1.7
97.06526	9.9
97.10191	5.9
99.04402	1.4
99.08102	2.2
99.79567	1.1
105.07016	31.2
107.04908	1.2
107.08579	47.7
109.02848	2.5
109.06506	15.8
109.10147	38.3
111.08096	5.8
111.11696	3.8
113.09579	1.4
117.06999	3.5
119.08567	27.0
121.06480	4.1
121.10130	36.6
123.08068	6.4
123.11688	28.7
124.11960	1.4
125.09587	6.0
127.03908	2.5
127.07557	1.3
127.11174	1.8
129.07024	2.0
131.08557	9.4
132.15985	1.2
133.06474	1.5
133.10112	20.8
135.08035	4.2
135.11674	17.3
137.05904	2.8
137.09630	6.2
137.13248	9.7
139.03795	2.0
139.11134	6.3
143.08540	4.1
145.10127	11.8
147.11670	25.1
149.09633	4.3
149.13266	10.8
151.03874	2.3
151.07544	2.2
151.11177	6.1
151.14772	1.7
153.09010	1.4
153.12682	2.9
157.10094	5.4
159.11664	14.6
160.12004	1.3
161.09608	2.0
161.13219	13.3
163.11108	4.3
163.14761	4.8
165.12735	6.1
167.10660	3.9
171.11658	4.3
173.13246	8.1
175.11159	1.8
175.14815	7.0
177.12723	4.3
177.16328	4.5
179.03490	1.7
179.10521	1.5
179.14238	2.8
181.12254	1.2
185.13266	3.6
187.14824	4.6
189.12819	1.6
189.16368	4.3
191.17984	2.2
199.14824	4.1
200.20110	1.4
201.16368	4.1
203.14281	1.2
203.17938	3.5
205.15883	1.7
205.19550	1.5
213.16357	5.7
217.15865	1.4
227.17850	1.8
231.17325	1.9
244.22708	4.7
245.22632	1.7
247.20438	2.1
249.18573	2.1
259.24127	1.8
266.21060	1.3
269.15485	1.3
269.22531	10.0
287.16614	2.0
287.23660	36.1
305.05612	4.6
305.10291	3.3
305.17456	4.2
305.24704	89.6
306.21591	1.4
306.26410	15.7
317.79184	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
54.40829	0.5
55.01862	2.3
56.04781	0.7
56.05030	11.0
56.96555	3.2
57.03429	5.1
58.03759	0.5
58.06592	5.1
58.99860	0.5
59.04983	0.6
60.00890	0.5
61.02917	15.9
62.03268	0.6
68.05017	3.4
69.03076	0.5
69.03421	7.5
69.07053	0.5
70.03740	0.8
70.06583	12.7
71.04972	1.2
71.61643	0.9
72.04491	1.7
72.08127	2.0
73.02906	5.4
74.02419	0.7
74.03278	0.4
74.06061	1.5
79.05513	0.7
81.03417	2.6
81.04518	1.3
82.06557	2.2
83.04979	0.9
84.04478	2.1
84.08115	1.7
85.02893	17.8
85.03423	0.9
85.07663	5.2
86.03220	1.2
86.06055	15.6
86.06583	0.8
86.09685	0.7
86.43478	0.5
87.04438	1.5
88.03971	0.7
90.01595	0.5
90.05539	2.7
91.03955	0.6
94.06524	0.8
95.06077	0.9
96.01543	0.5
96.04465	0.6
96.08114	0.9
97.02880	8.3
97.06505	0.5
98.03209	1.0
98.06026	1.2
98.09676	2.0
98.97569	6.2
99.04447	1.2
100.03972	6.0
101.00847	2.2
101.02293	0.6
102.05519	7.2
103.02426	0.9
104.01274	0.6
105.02041	0.6
107.04958	1.2
109.02862	2.2
110.01266	1.3
110.06029	0.5
110.97578	0.8
111.04401	0.7
111.05608	0.6
111.09172	1.1
113.02328	1.2
113.07119	0.7
113.10806	0.5
114.05515	58.9
114.09153	0.8
115.02358	0.8
115.03908	0.9
115.05846	0.6
116.07056	0.8
116.98595	3.9
119.01888	9.7
120.01997	1.4
121.01639	0.9
121.02837	2.2
121.03601	0.5
123.04468	0.5
124.05093	0.8
124.07583	8.7
124.95464	0.5
125.02348	1.7
125.07089	1.6
126.03433	0.8
127.03890	6.6
127.08736	0.6
128.02292	5.2
128.04185	0.8
128.07040	2.8
128.52496	0.5
128.98587	1.9
129.04018	0.7
129.06583	4.1
130.04950	1.5
131.00224	0.6
131.01895	4.0
132.01953	0.5
132.06544	0.8
133.01581	0.7
133.03438	2.1
134.99643	2.2
135.03105	0.9
136.05986	0.9
136.07591	0.9
137.01944	0.5
137.02885	2.5
137.06003	0.6
139.03920	0.5
139.08649	1.8
139.53108	0.5
140.03365	2.2
140.07010	1.2
141.01158	2.0
141.03799	1.2
141.06577	1.2
141.10217	11.5
142.03903	0.6
142.04942	0.7
142.08609	8.7
143.00165	0.8
143.01828	3.3
143.03397	4.7
143.08139	3.4
144.01900	0.5
144.99847	0.5
145.01611	0.7
145.03436	2.8
145.04919	3.5
145.09711	2.1
146.02293	0.9
146.05190	0.6
146.99632	1.9
147.01320	0.8
147.03160	0.7
147.04974	1.1
149.02896	1.1
150.01810	0.6
150.05446	0.6
151.03857	0.7
151.08652	1.8
152.07030	0.9
153.01863	5.3
154.02960	0.8
155.01865	1.4
157.03452	1.3
157.09718	5.6
158.08086	0.6
158.99625	1.9
159.05005	1.5
159.11252	0.8
160.06058	1.4
161.01338	1.1
161.02917	5.8
162.01718	0.7
162.03099	0.6
163.02693	0.6
163.04568	0.7
164.07059	0.8
165.00735	0.6
166.02869	0.9
167.07007	1.0
168.06567	0.9
168.11269	4.0
169.03554	1.1
169.09727	1.1
170.99615	1.2
171.01160	0.6
171.05003	0.8
172.05338	0.6
173.01639	0.6
173.02930	4.0
174.03090	1.4
174.99042	0.9
175.03387	2.1
175.53448	0.8
177.00670	1.3
177.02309	1.1
177.06062	1.4
179.03386	0.6
182.08081	0.9
183.02269	1.4
183.05035	1.3
183.52490	0.8
184.04028	1.6
185.02856	2.3
185.09192	100.0
186.03168	0.8
186.07593	5.6
186.09348	1.2
187.00870	1.3
187.02811	0.6
187.04488	2.4
188.97066	0.9
189.00641	1.8
189.02303	0.7
189.06102	0.6
191.03918	1.0
192.01131	0.6
192.02809	1.9
192.05467	1.9
192.52924	0.5
193.00154	1.1
193.03410	0.7
195.07063	1.0
196.04036	0.9
196.10789	5.0
196.54097	0.7
197.02670	0.6
200.54614	0.8
201.00616	1.1
202.98584	1.2
203.02318	0.8
203.03951	3.4
203.10220	4.8
204.02776	1.4
204.52982	0.9
205.00247	1.0
205.04439	5.4
205.06068	0.6
205.54565	1.4
207.01744	0.6
212.55360	1.5
213.03380	8.2
213.53508	4.0
213.56020	1.0
214.05788	1.6
214.11885	1.9
214.55104	1.0
215.00327	1.8
215.10208	1.5
216.07375	0.6
217.00064	0.7
219.01718	1.1
219.03574	0.7
221.03171	0.8
221.05092	1.2
222.03790	3.9
222.54041	2.0
223.04468	1.0
223.06406	2.7
224.06509	0.6
230.98077	1.0
232.03592	0.6
233.04997	0.8
233.54634	1.9
237.02679	1.0
239.04347	1.1
240.13379	4.9
242.05685	0.6
245.05098	4.9
246.04895	0.6
247.03001	0.9
249.02502	0.6
257.05206	0.6
258.14453	2.3
263.00800	0.8
263.03815	0.7
263.06143	1.6
264.54886	0.6
268.12830	1.7
273.04547	2.0
278.12073	0.5
281.02261	0.6
281.05432	2.1
286.13934	67.7
287.14175	1.1
294.56125	0.8
295.06497	0.7
304.02094	0.7
304.05267	0.6
304.11148	0.7
304.15021	15.5
305.06586	3.1
305.11926	0.9
321.06726	0.7
323.07877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30734	0.1
52.64098	0.1
53.03935	0.5
54.03685	0.1
54.86827	0.2
55.01868	0.4
55.05495	0.3
56.05022	0.3
56.96551	0.7
57.03418	0.7
58.06591	0.2
58.07628	0.1
60.04491	0.2
61.02912	1.0
65.03924	0.3
67.05495	0.3
68.05002	0.4
68.16643	0.1
69.03419	2.2
69.07054	0.5
70.02938	0.2
70.03774	0.1
70.06573	0.6
70.85186	0.4
71.04995	0.3
72.04514	0.9
73.02901	0.7
79.05053	0.3
79.05484	4.0
80.05000	0.5
81.03404	1.2
81.05793	2.8
81.06569	0.2
81.07043	3.7
82.02937	0.3
82.06567	0.6
83.04951	0.2
84.04489	0.4
84.96017	0.2
85.02896	5.6
86.06054	0.7
86.09681	0.7
87.04454	0.6
88.03958	0.2
90.05554	1.4
91.03956	0.2
94.06539	0.5
95.04944	0.4
96.04485	1.6
96.08118	7.2
97.02890	1.8
97.06532	0.2
98.06042	0.2
98.97570	1.3
99.04436	0.5
106.06554	0.5
107.04949	0.4
109.02860	1.3
109.05249	0.5
110.06016	0.4
110.97542	0.2
111.00822	0.2
111.04444	0.1
112.07587	1.1
114.05518	1.7
116.98615	0.9
118.05023	0.3
121.06499	0.2
122.06056	0.2
123.04412	0.5
124.07574	100.0
124.99123	0.2
125.05996	0.2
125.07903	1.3
127.03899	1.7
128.98621	0.4
132.06516	0.3
133.02844	0.7
134.99638	0.4
136.06035	0.4
137.05946	0.2
139.03848	1.1
140.07040	0.2
142.04971	0.6
142.08614	16.9
143.00133	0.3
143.03409	0.7
143.08878	0.3
143.11803	0.2
145.04915	0.5
146.99628	0.3
147.04366	0.2
151.03841	1.3
153.01802	1.1
154.08522	0.2
155.03366	0.5
160.06075	0.6
161.01193	0.6
165.05492	0.3
167.06914	0.2
175.03922	0.4
177.05498	0.2
179.03439	0.3
184.09738	0.1
185.01180	0.3
185.09235	0.7
193.04457	0.3
197.08113	0.3
203.01985	0.2
203.03580	0.2
217.05475	0.2
219.01688	0.3
221.03311	0.7
234.98984	0.2
237.02844	0.3
239.04358	0.7
244.08145	0.2
263.04388	0.5
268.12103	0.2
278.05466	0.3
280.05219	0.4
281.05307	2.0
281.07742	0.2
286.09241	0.6
286.13553	0.5
287.05478	0.7
299.06195	0.2
304.01608	0.4
304.13815	1.0
305.06464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01850	1.7
55.05510	0.7
57.03433	3.2
58.02948	1.2
58.06573	1.1
60.04523	5.7
61.02927	3.0
69.03416	11.1
69.07058	31.0
70.85997	1.6
71.01324	0.6
71.04979	1.7
71.08228	0.9
71.08624	18.1
73.02896	2.2
81.03409	6.5
81.05746	0.6
81.07034	0.7
83.08608	1.0
84.04499	3.5
85.02894	56.4
86.02418	4.3
86.03207	0.6
91.03947	0.6
96.04427	0.7
96.08104	2.9
97.02879	34.9
97.06511	3.6
99.04416	2.7
103.03918	4.3
109.02867	10.1
110.02370	1.0
114.09143	17.0
123.04396	4.4
124.07580	0.6
126.09203	0.7
127.03902	14.3
138.09140	2.8
139.03868	2.2
142.08614	100.0
143.08931	1.7
145.04944	7.7
151.03915	0.8
153.01778	1.2
155.03375	8.0
156.10191	2.1
160.09587	0.8
163.03845	0.8
163.06076	1.0
166.08554	0.9
180.10187	1.3
183.11316	0.6
184.09663	66.9
185.09952	0.6
208.09665	15.2
216.67430	0.6
220.09697	2.0
223.07610	0.7
238.10733	2.1
241.36389	0.6
250.10675	8.6
268.11786	0.7
286.12988	1.9
287.05362	0.6
304.01788	1.2
304.05267	0.6
304.13928	4.3
305.06415	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88199	0.9
55.01874	1.2
55.05505	1.3
56.96286	1.7
56.96558	28.3
57.03413	1.8
60.04494	1.2
61.02911	3.6
69.03425	5.2
70.06600	1.5
70.46336	2.4
70.98107	3.4
72.04518	1.7
72.08147	1.7
73.02901	2.5
77.24564	0.9
81.03383	2.4
82.02926	2.6
82.74969	0.9
84.04501	1.2
84.96022	3.0
85.02892	9.6
86.06055	1.4
86.09708	1.0
88.99136	2.2
90.05556	2.1
94.82847	1.1
96.04499	1.0
97.02859	5.6
98.97571	48.8
100.03968	7.9
100.99184	1.3
101.00868	2.3
102.96938	1.1
109.02863	2.5
110.06020	1.0
110.97545	4.0
113.03509	1.6
114.05537	5.0
115.03860	1.3
116.98610	35.5
119.01895	9.1
121.01733	1.3
124.99129	3.5
125.02374	2.4
127.00695	2.9
127.03889	3.6
128.98596	7.3
130.12189	1.1
131.00160	2.2
131.01901	2.9
133.01656	1.7
133.03477	1.8
134.99638	16.3
137.02849	2.3
137.05972	1.2
140.98607	1.4
141.01149	18.4
142.04964	1.9
142.96516	2.3
143.00128	11.9
143.01894	2.6
143.03409	3.3
145.01738	2.5
145.03465	1.6
145.04918	2.4
146.99622	6.3
149.01222	1.7
153.00702	2.1
153.01849	6.2
157.03456	1.6
157.09840	1.1
158.99649	2.7
160.06085	1.6
160.97504	1.3
161.01219	10.2
161.02878	6.2
163.04440	1.2
167.00195	2.1
170.96184	1.0
172.05409	9.3
173.01236	1.2
173.02928	2.5
173.06584	1.2
174.99084	1.8
175.24899	1.0
177.00739	3.6
177.02382	1.2
177.04036	1.0
179.00632	1.1
184.04506	1.0
185.01245	5.8
185.02789	1.7
185.09213	3.9
187.04340	1.2
188.97112	5.1
189.00655	2.0
190.98666	3.2
191.07681	1.4
193.00226	4.0
199.04405	1.6
202.98653	3.1
203.02242	6.0
203.03915	1.9
205.00266	1.8
206.98117	4.1
207.05368	2.2
213.03380	1.2
220.99719	4.4
221.03279	24.9
222.05583	1.5
223.01198	1.8
230.98134	4.9
232.99728	2.5
235.01219	1.6
239.00688	1.5
239.04358	33.5
239.06770	1.9
244.99669	1.6
245.05055	3.6
248.99228	3.8
257.05450	6.9
258.01044	1.6
262.03174	1.6
263.00742	4.6
263.04382	24.5
267.00082	1.1
273.04950	1.4
278.05515	1.1
278.12341	1.4
281.02237	3.5
281.05383	100.0
282.05688	1.7
286.00742	1.3
286.06021	1.2
286.13806	3.0
299.06424	7.5
304.01743	10.9
304.06680	4.8
305.07169	2.6
305.10770	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	303.2313
Annotation	Flexusine B
Peak:m/z	Relative Intensity
53.74835	1.3
55.05495	5.4
57.07068	3.0
67.05495	12.3
69.07051	9.9
70.81606	3.1
79.05485	7.3
81.07043	36.8
83.04964	1.8
83.08597	4.2
85.02884	3.2
91.05481	9.6
92.52980	1.5
93.07040	14.5
95.04959	6.8
95.08592	32.0
96.61394	1.2
97.10162	3.2
104.87978	1.4
105.07032	12.7
107.08588	11.5
108.38760	1.5
109.02831	1.5
109.06501	6.5
109.10135	17.7
117.06995	4.4
119.08557	13.1
121.06475	2.6
121.10081	6.9
123.08022	2.3
123.11682	11.9
129.06973	2.7
131.08583	8.2
133.06422	2.0
133.10109	10.8
135.07994	6.8
135.11659	6.0
137.02299	3.2
137.06006	2.8
137.13240	11.3
139.07471	4.9
143.08548	3.9
145.10100	8.5
147.08031	2.8
147.11658	6.5
149.09610	3.2
149.13220	4.1
153.01820	3.9
153.09087	13.2
157.10136	5.6
159.11684	5.9
161.09584	4.6
161.13231	2.5
163.11168	1.5
163.14778	2.8
165.01724	1.8
167.10571	1.7
169.10109	3.0
171.11716	2.4
173.13287	4.1
175.11154	5.2
175.14738	2.9
177.44533	1.5
179.10693	5.3
183.11673	3.1
185.13226	5.2
187.14792	3.4
189.12738	4.4
191.17934	2.5
193.12216	2.7
197.13235	6.4
201.05394	1.6
201.16371	1.7
203.14326	2.2
205.15944	2.4
207.13852	1.9
211.14793	6.8
215.14314	2.2
220.03447	1.6
225.16399	3.0
227.17909	4.7
229.04897	2.2
229.15823	3.3
250.99272	1.7
257.22620	5.4
267.21027	23.9
270.69940	2.9
282.20676	3.0
282.70645	2.3
285.22098	100.0
286.22461	4.1
303.01529	2.2
303.04895	30.9
303.23145	87.4
303.30457	2.8
304.05389	2.1
304.23450	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	303.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71893	0.2
53.03954	0.4
55.01864	0.6
55.05499	1.6
65.03912	0.7
67.01857	0.3
67.05487	2.5
68.17006	0.3
68.99773	1.8
69.03408	0.8
69.07059	2.8
69.45885	2.2
71.01323	0.2
71.04976	0.8
79.05476	2.9
81.03395	0.8
81.07043	6.4
83.04948	1.1
83.08581	0.8
85.06512	1.0
91.05463	2.7
93.03391	0.6
93.07030	8.3
95.04960	2.7
95.08594	3.5
97.02853	0.4
97.06524	2.7
98.20818	0.4
99.04429	1.2
99.08090	0.6
103.05441	0.4
105.07014	5.2
107.04934	1.0
107.08585	4.8
109.02903	1.2
109.06486	2.4
109.10143	2.1
111.00806	1.9
111.04427	0.6
111.08047	1.6
113.06039	0.3
115.05457	0.4
117.06998	0.9
119.04929	0.7
119.08566	3.4
121.02856	1.9
121.06495	4.8
121.10141	1.5
123.04395	1.1
123.08060	0.9
123.11680	1.3
125.05975	1.1
125.09564	0.4
127.03866	0.5
127.07523	1.2
131.04932	1.1
131.08517	0.7
133.06448	0.5
133.10115	2.8
135.04356	0.8
135.08054	1.3
135.11687	0.5
137.02318	6.0
137.03311	0.3
137.05954	4.1
137.09596	0.7
137.13187	0.4
138.05469	0.3
139.07513	3.7
141.07043	0.3
142.07733	0.5
143.07004	1.2
143.08549	0.6
145.06413	1.0
145.10095	1.1
147.04352	0.3
147.07965	0.5
147.11670	7.5
149.02286	0.6
149.05962	0.7
149.09583	0.4
149.13211	1.0
151.03871	0.3
151.07506	1.0
151.11147	0.4
153.01807	9.2
153.05411	0.5
153.06924	0.5
153.08978	0.5
154.02142	0.6
155.04906	0.9
156.09314	0.3
157.06500	0.4
157.08572	2.4
157.10091	2.1
159.04353	0.3
159.11671	0.4
161.05974	0.8
161.13214	1.6
163.03871	1.4
163.07504	0.7
163.11163	0.3
165.01804	3.7
165.05579	0.4
165.06970	1.2
165.12733	3.2
166.02649	0.4
167.03357	0.4
168.05702	0.5
169.12149	0.5
171.10258	0.5
171.11664	1.8
173.05933	1.2
175.11159	6.1
175.14740	0.3
177.05443	0.5
177.09126	0.3
181.06554	0.4
183.02859	1.5
183.04266	0.6
183.07956	1.3
185.05977	0.4
187.03889	1.2
189.12701	2.7
191.14265	0.3
193.06445	0.3
193.12210	3.8
195.02866	0.5
199.11194	1.7
201.05432	4.0
205.04926	0.4
207.13760	1.1
209.15440	0.3
211.07590	2.0
211.13313	1.1
213.05470	0.4
215.03325	0.4
215.10638	0.3
217.12218	6.4
219.06517	0.5
221.15324	0.5
225.14815	1.3
228.04131	0.6
229.04922	8.5
229.14322	0.8
230.05290	0.9
235.13251	5.6
239.07092	0.4
243.10065	1.1
247.05986	0.9
249.14798	1.5
253.14346	3.8
254.31836	0.3
257.04404	4.1
258.04767	0.4
267.15897	2.6
271.09598	2.0
274.04694	1.5
285.03943	2.3
285.12280	0.4
285.16910	1.7
285.22006	0.5
303.04950	100.0
303.23108	2.1
304.05264	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	303.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96977	0.3
53.03941	0.4
55.01860	0.5
55.05495	0.8
56.05451	0.3
57.03431	0.5
65.03924	0.9
67.05489	2.1
68.99778	0.8
69.03407	1.2
69.07059	2.8
69.95947	2.0
71.04958	1.0
79.05494	2.1
81.03388	1.4
81.07046	4.9
82.06567	0.8
83.04974	0.4
83.08606	0.5
85.02892	1.4
85.06533	0.7
89.03902	0.5
91.05493	2.0
92.04976	0.9
93.07030	1.6
94.06562	2.2
95.04948	1.5
95.08597	3.1
96.04470	0.4
97.02876	0.9
97.06505	1.0
98.06023	0.4
98.21471	0.6
99.04449	0.7
99.08089	2.4
103.05415	0.4
105.07006	1.4
106.06527	1.5
107.04926	1.0
107.07357	0.4
107.08562	1.5
109.02865	1.4
109.06507	0.8
109.10146	1.2
110.06029	5.8
111.00768	0.7
111.04368	0.4
112.07558	1.2
113.05986	0.9
116.04979	0.9
117.03352	0.5
117.07030	0.4
119.04881	0.8
119.08532	1.7
120.04451	11.2
121.02808	0.4
121.05304	0.4
121.06493	0.8
121.10125	1.3
122.03586	0.3
122.06014	3.7
123.04384	1.2
123.08036	0.9
123.11698	0.5
124.07568	4.1
125.09626	0.4
127.03912	1.4
131.04897	0.6
131.07048	0.7
131.08522	0.4
133.10129	0.9
134.05997	3.8
135.04431	0.8
135.08051	0.5
135.11711	0.7
135.27657	0.3
136.07538	1.8
137.02319	1.6
137.05975	4.8
139.03896	0.4
140.07045	7.9
141.05479	1.0
141.06883	0.6
141.07823	5.4
141.09058	1.4
142.08620	17.8
143.08717	0.4
144.04424	0.7
145.02841	1.0
145.04958	0.5
145.10112	0.4
147.04388	1.5
147.08049	0.4
147.11694	0.4
149.02435	0.5
149.05956	0.6
149.13234	0.5
151.03865	1.8
151.07518	0.6
153.01793	2.1
153.05460	0.5
153.06808	0.3
154.08638	1.7
155.08519	0.7
157.02834	1.0
157.10100	0.6
159.06522	0.7
159.11670	1.0
161.05937	0.5
161.13080	0.4
162.05486	100.0
163.03894	0.6
163.05937	2.3
163.07388	0.3
164.07047	1.2
165.01817	0.7
165.07008	0.9
167.03366	0.4
168.05592	0.4
173.02295	2.7
174.96785	0.4
175.03911	0.6
182.07167	0.4
183.04402	0.5
183.08083	0.7
185.02289	0.6
188.06995	0.4
191.03398	1.3
197.09721	0.4
199.11339	0.5
199.14856	0.4
201.01808	6.1
201.05426	0.7
202.02139	0.6
203.03383	1.2
204.06654	0.4
211.07558	1.1
213.01802	1.0
215.10718	0.4
216.10098	1.8
217.01228	0.7
219.02908	0.7
219.65408	0.4
229.01311	5.2
229.04883	2.0
230.01735	0.5
230.08171	0.8
231.02872	1.3
240.10249	0.4
241.01321	0.8
243.11099	1.4
244.09680	1.3
247.02367	4.8
257.00778	12.3
258.01215	0.9
258.11215	2.7
259.02310	1.8
261.12338	6.9
262.12381	0.4
267.11267	0.4
268.09531	0.4
271.09644	1.2
275.01831	10.5
275.04987	0.5
276.02145	0.7
279.13361	3.7
285.00278	9.3
285.03632	0.3
285.12384	3.0
285.22195	0.6
286.00885	0.9
286.10727	3.2
303.01346	69.1
303.04959	18.5
303.13333	17.5
303.16315	0.7
303.23004	2.6
304.01694	5.3
304.05344	1.2
304.13644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.23504	0.3
53.03929	0.4
55.01863	0.6
55.05497	1.1
65.03932	0.5
67.01871	0.3
67.05490	1.4
68.56906	0.3
68.58570	0.3
68.99772	1.5
69.03408	0.7
69.07068	1.9
69.65694	0.6
69.66100	1.5
71.01307	0.3
71.04967	0.7
79.05482	2.0
81.03424	0.5
81.07048	3.8
83.04956	1.0
83.08604	0.7
85.06525	0.9
91.05465	2.2
93.03388	0.4
93.07024	6.3
95.04959	2.0
95.08596	3.1
97.06493	2.1
99.04451	0.7
99.08056	0.3
100.05340	0.3
102.13486	0.3
103.05418	0.5
105.07020	3.1
107.04951	0.4
107.08584	3.1
109.02849	1.0
109.06491	2.0
109.10137	1.2
111.00783	1.7
111.08070	1.3
113.05965	0.5
114.85940	0.3
115.07513	0.3
117.06992	0.8
119.04952	0.3
119.08570	2.2
121.02828	1.7
121.06494	3.4
121.10145	1.4
123.04395	0.8
123.08021	0.7
123.11683	1.2
125.05957	1.2
125.09597	0.8
127.03900	0.5
127.07560	0.7
127.11147	0.3
128.06219	0.4
129.06996	0.5
131.04933	0.6
131.08566	0.7
133.06442	0.4
133.10097	2.1
135.04373	0.6
135.08034	0.9
135.11650	0.9
137.02322	6.2
137.03377	0.4
137.05951	3.1
137.09518	0.3
137.13213	0.4
139.07501	2.9
141.07010	0.3
143.06995	0.7
143.08543	0.4
145.06465	0.7
145.10112	0.9
147.08003	0.4
147.11656	6.0
149.02341	0.5
149.05945	0.4
149.13269	0.7
151.07495	0.7
151.83987	0.3
153.01802	8.8
153.09077	0.5
155.04884	0.8
155.08559	0.5
157.08575	1.9
157.10075	1.3
159.11678	0.4
161.05931	1.0
161.13242	0.8
163.03915	1.3
163.07472	0.6
163.14838	0.5
165.01788	3.3
165.06985	0.7
165.12729	3.1
166.02579	0.7
167.03308	0.3
169.12199	0.3
171.10301	0.4
171.11667	1.2
173.05927	1.2
175.11139	4.8
177.05409	0.4
179.03339	0.4
183.02829	1.3
183.04416	0.7
183.08032	1.3
187.03914	0.9
189.12669	2.1
191.14133	0.5
192.07417	0.3
193.12215	3.9
195.02917	0.3
199.11130	1.3
199.14821	0.4
201.05406	3.2
205.04953	0.5
207.13797	1.5
211.03964	0.4
211.07524	1.2
211.13214	0.7
213.05487	0.5
215.10777	0.3
217.12215	6.4
219.02943	0.3
219.06442	0.7
221.15343	0.4
225.09091	0.3
225.14822	1.3
228.04137	0.5
229.04936	8.2
229.21838	0.3
235.13258	4.5
239.03294	0.6
243.10185	0.8
243.15724	0.3
247.05910	1.3
249.14854	1.3
253.14319	2.8
257.04419	4.7
258.04758	0.5
267.15903	2.3
271.09531	1.0
274.04645	1.3
275.05307	0.5
285.03931	2.1
285.16977	0.9
285.22122	0.3
303.04944	100.0
303.22980	2.0
304.05249	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	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03923	0.1
53.18654	0.1
55.01850	0.3
57.30265	0.1
65.01852	0.1
65.03925	0.4
67.01849	0.3
67.05486	0.3
68.99429	0.1
68.99780	1.7
69.03424	0.1
69.38580	0.7
71.01339	0.1
77.03928	0.1
77.63409	0.1
81.03407	0.5
81.07047	0.1
87.81103	0.1
93.03394	0.7
95.04945	0.7
97.02884	0.1
103.54710	0.1
105.03365	0.2
105.07015	0.1
107.01325	0.1
107.04977	0.2
109.02866	1.0
110.03706	0.1
111.00788	2.0
111.04435	0.1
115.05450	0.2
117.06989	0.3
121.02853	1.9
123.04417	0.7
127.03892	0.4
129.06973	0.1
131.04889	0.2
133.02834	0.1
133.06461	0.2
135.04393	0.6
137.02324	6.6
138.02606	0.1
139.05333	0.1
143.04858	0.1
145.02803	0.1
145.06477	0.5
147.04413	0.1
149.02318	0.8
151.03912	0.1
153.01804	9.6
154.02161	0.2
155.04893	1.1
155.06053	0.1
157.06447	0.2
159.04382	0.3
161.05969	0.5
163.03883	1.2
165.01808	4.0
166.02608	0.5
167.03352	0.1
171.02861	0.1
173.05951	1.3
177.01791	0.1
177.05490	0.2
179.03352	0.4
183.02849	1.3
183.04401	0.8
187.03815	0.7
191.03339	0.3
191.06952	0.2
195.02881	0.5
200.04788	0.1
201.05446	3.8
202.05794	0.1
205.04982	0.4
207.02817	0.1
211.03896	0.3
213.05479	0.3
215.03310	0.2
217.04999	0.1
219.02831	0.2
219.06549	0.5
228.04176	0.8
229.04926	8.4
230.05305	0.3
232.03630	0.2
233.04391	0.1
239.03508	0.5
245.04428	0.2
246.05237	0.1
247.05963	1.2
257.04413	5.3
258.04849	0.3
274.04718	1.3
275.05261	0.4
285.03891	2.3
286.04471	0.2
303.04938	100.0
304.05295	4.8
304.08145	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	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03934	0.2
55.01849	0.4
57.03420	0.7
65.03914	0.5
67.01851	0.3
67.05476	0.6
68.99775	1.7
69.03417	0.5
69.07043	0.2
69.62841	0.2
69.63244	0.7
71.04995	0.2
79.05465	0.2
81.03424	0.9
81.07036	0.5
85.02877	0.2
89.70042	0.1
91.05447	0.3
93.03380	0.6
93.07037	0.3
95.04967	0.9
95.08591	0.8
97.02870	0.2
98.97579	0.2
99.04432	0.2
99.08054	0.3
102.06646	0.2
105.06995	0.2
107.01325	0.1
107.04951	0.3
107.08591	0.2
109.02879	1.3
109.10104	0.2
111.00782	1.8
113.09594	0.2
117.06983	0.4
119.04916	0.1
121.02859	1.6
121.06505	0.2
121.10127	0.2
123.04426	0.7
123.08039	0.6
127.03912	0.8
131.04901	0.3
131.07007	0.6
133.06412	0.1
135.04364	0.5
135.07997	0.2
137.02321	6.8
137.03360	0.3
137.05943	0.5
138.02699	0.1
141.05453	0.5
141.09082	0.6
145.06427	0.8
147.04375	0.2
149.02290	0.8
151.03839	0.2
153.01805	9.4
154.02164	0.2
155.04916	0.8
155.06004	0.2
157.06473	0.2
159.04367	0.2
161.05971	0.9
163.03906	1.3
163.07472	0.2
165.01819	3.7
166.02560	0.6
171.02966	0.2
173.05960	1.5
177.01872	0.2
177.05470	0.3
179.03374	0.3
183.02853	1.6
183.04417	0.8
185.05951	0.2
187.03922	0.7
191.03419	0.2
195.02835	0.3
201.05434	4.0
202.05777	0.2
205.04941	0.4
207.02788	0.2
211.03833	0.2
212.04297	0.2
213.05478	0.3
215.03409	0.2
219.02919	0.3
219.06491	0.6
228.04170	0.5
229.04924	9.1
230.05370	0.3
232.03654	0.2
239.03419	0.4
245.04619	0.1
247.05984	1.0
257.00671	0.2
257.04401	4.7
258.04922	0.3
267.02881	0.2
271.09717	0.2
274.04651	1.2
275.01871	0.3
275.05310	0.5
285.00623	0.3
285.03839	2.1
285.12256	0.3
286.04471	0.3
303.04935	100.0
304.05283	4.6
307.28049	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	303.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.1
53.03933	0.3
55.01852	0.6
55.05505	0.7
57.03426	0.2
57.07051	0.3
65.03921	0.6
65.19438	0.1
67.01840	0.4
67.05489	1.9
68.99776	1.9
69.03426	0.7
69.07059	1.1
71.04960	0.6
71.62737	0.3
79.05476	1.2
80.46960	0.2
81.03387	0.9
81.07041	3.3
83.04957	0.5
83.08588	0.4
85.02899	0.2
85.06520	0.3
85.22707	0.1
91.05476	1.3
93.03368	0.6
93.07030	1.7
95.04952	1.5
95.08580	2.4
97.02870	0.2
97.06493	0.4
97.10126	0.2
97.41151	0.1
99.04427	0.3
99.08064	0.3
103.05437	0.6
105.03353	0.3
105.07021	2.1
107.04905	0.4
107.08590	1.9
109.02879	1.0
109.06493	0.4
109.10135	1.5
111.00784	1.5
111.04411	0.5
111.08041	0.4
111.11758	0.1
113.05978	0.2
115.05492	0.2
117.06987	0.7
119.04902	0.4
119.08562	2.0
121.02852	1.8
121.06473	0.8
121.10124	1.5
122.03627	0.3
123.04398	0.9
123.08063	0.4
123.11684	1.3
125.09648	0.2
127.03900	0.7
127.11166	0.4
129.06976	0.5
131.04887	1.2
131.08553	0.5
133.02777	0.1
133.06436	0.2
133.10117	1.2
135.04408	0.4
135.08029	0.5
135.11664	0.8
137.02318	6.6
137.03365	0.3
137.05942	4.2
137.09570	0.4
137.13176	0.2
139.03860	0.2
139.11180	0.2
141.06987	0.3
141.09082	0.2
143.04886	0.2
143.08559	0.3
145.02737	0.2
145.06477	0.8
145.10092	0.8
147.04367	0.3
147.08023	0.2
147.11658	2.2
149.02293	0.7
149.06001	0.7
149.09558	0.3
149.13225	0.4
151.03868	0.5
151.07536	1.2
151.11108	0.2
152.06129	0.2
153.01799	8.0
153.05522	0.7
153.06792	0.7
154.02103	0.2
155.04884	0.6
155.08507	0.5
157.06413	0.3
157.10098	0.3
159.04462	0.2
159.11632	0.6
161.05988	0.7
161.09650	0.3
161.13213	0.4
163.03877	1.1
163.07527	0.9
163.11102	0.3
163.14842	0.3
165.00543	0.1
165.01791	3.4
165.06960	1.5
165.09085	0.3
165.12709	0.8
166.02567	0.5
167.07040	0.3
168.05699	0.5
169.06522	0.3
171.11690	0.3
173.05974	1.3
173.13147	0.3
175.07504	0.2
175.11183	0.4
177.05402	0.3
177.09007	0.3
179.03366	0.5
181.06422	0.4
183.02844	1.5
183.04404	0.7
183.08023	1.8
183.13733	0.2
185.05978	0.2
187.03894	0.8
187.14833	0.4
189.09033	0.2
189.16339	0.3
191.03386	0.3
191.06949	0.2
193.06465	0.2
195.02823	0.5
196.05145	0.5
197.05975	0.2
199.07475	0.2
199.14851	0.3
201.05440	4.1
203.17868	0.2
205.04924	0.3
205.08618	0.2
207.02739	0.3
207.04434	0.4
210.06685	0.3
211.03882	0.3
211.07515	2.0
211.14754	0.2
213.05391	0.5
215.03307	0.2
215.10690	0.4
219.02872	0.3
219.06517	0.4
219.17429	0.2
221.06102	0.2
225.09061	0.6
227.06987	0.3
227.17822	0.1
228.04134	0.5
228.07669	0.3
229.04927	9.0
230.05264	0.4
239.03374	0.2
239.06992	0.6
241.04895	0.2
243.10095	1.5
245.07959	0.2
246.05168	0.2
247.05916	1.2
247.17018	0.2
257.04391	4.5
258.04941	0.2
267.15952	0.8
267.21051	0.2
271.09607	2.4
272.10397	0.2
274.04739	1.4
275.05374	0.3
275.12576	0.2
285.03909	2.2
285.08716	0.2
285.12015	0.2
285.16882	1.3
285.22000	0.7
288.09912	0.3
303.04929	100.0
303.23108	3.1
304.01804	0.3
304.05276	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	303.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90877	0.1
53.03925	0.1
55.01867	0.4
55.05501	0.1
57.03411	0.1
65.03934	0.4
67.01853	0.4
67.05495	0.5
68.99425	0.1
68.99780	1.6
69.03420	0.5
69.07051	0.1
69.43165	0.7
71.01320	0.1
71.04993	0.1
79.05478	0.2
81.03405	0.6
81.07037	0.3
83.04967	0.1
85.02874	0.1
85.06546	0.1
89.03905	0.1
91.05453	0.3
93.03389	0.6
93.07027	0.2
95.04960	0.8
95.08587	0.3
97.02904	0.1
97.06509	0.1
99.04441	0.1
103.05441	0.1
105.03381	0.2
105.07015	0.2
107.01325	0.1
107.04958	0.3
107.08553	0.1
109.02867	1.1
109.06525	0.1
109.10153	0.1
111.00792	1.6
111.04428	0.3
115.05437	0.2
117.03330	0.1
117.06975	0.4
119.04946	0.2
119.08534	0.2
119.38644	0.1
121.02852	1.9
121.06515	0.1
121.10111	0.2
123.04417	0.6
123.11687	0.1
125.02326	0.1
127.03899	0.4
128.06178	0.2
129.06990	0.2
131.04912	0.4
133.02858	0.1
133.06506	0.2
133.10153	0.1
135.04408	0.8
135.11711	0.1
137.02324	6.6
137.05933	0.7
138.41417	0.1
139.03915	0.1
141.06961	0.1
141.09027	0.1
143.04890	0.1
145.02872	0.4
145.06438	0.5
145.10115	0.1
147.04311	0.1
149.02332	0.8
149.05934	0.1
150.52243	0.1
151.03886	0.1
151.07530	0.1
153.01807	8.9
153.06956	0.1
154.02142	0.2
155.04895	0.9
155.06038	0.1
157.06453	0.2
159.04390	0.2
160.05145	0.1
161.05969	0.7
163.02512	0.1
163.03886	2.7
163.07504	0.2
165.01813	3.5
165.06921	0.1
166.02586	0.5
167.03386	2.2
171.02951	0.1
171.04422	0.1
173.05946	1.3
177.01871	0.2
177.05490	0.3
179.03348	0.3
183.02863	1.3
183.04417	0.7
183.08011	0.2
184.04973	0.1
185.04422	0.1
185.05945	0.3
187.03879	0.8
187.07526	0.2
191.03377	0.3
191.07104	0.2
193.04877	0.1
194.01973	0.1
195.02872	0.4
201.05443	4.0
202.05835	0.1
205.04942	0.4
205.08595	0.1
207.02896	0.2
211.03912	0.4
211.07510	0.2
213.05461	0.3
215.03235	0.1
219.02901	0.2
219.06480	0.4
225.09085	0.1
228.04114	0.5
229.04926	7.7
230.05331	0.3
232.03622	0.1
233.04457	0.2
239.03450	0.4
239.06960	0.1
243.02818	0.1
243.10004	0.1
245.04587	0.1
246.05200	0.1
247.05978	1.2
253.08623	0.4
257.04416	4.4
257.08063	0.2
258.04843	0.2
271.09695	0.5
274.04718	1.2
275.05399	0.3
285.03931	2.4
285.07492	0.1
285.11203	0.3
286.04526	0.2
302.04251	0.1
303.04950	100.0
304.05304	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	303.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60226	0.2
92.29510	0.1
98.97563	0.7
99.97912	0.1
101.00868	0.7
109.88932	0.1
114.81759	0.1
116.98574	0.7
118.42696	0.1
119.01904	5.5
120.02019	0.4
122.97836	0.2
125.95758	0.1
131.11224	0.1
134.99817	0.6
136.00017	0.1
137.02948	2.1
138.02997	0.1
140.98717	0.2
153.00894	0.3
158.99849	0.4
160.00006	0.2
165.99672	0.2
175.03030	0.2
177.00923	11.0
178.01016	2.0
179.00728	0.4
182.99933	0.3
188.02711	0.1
193.04091	0.2
194.04059	0.1
195.01978	0.3
200.02582	0.2
201.00891	0.9
201.02518	0.1
217.04053	2.4
218.03848	0.9
219.01974	21.5
220.02068	4.0
221.01709	1.8
222.01851	0.7
223.01477	0.2
225.00813	2.1
226.00951	0.7
236.99681	0.2
242.03513	0.4
243.01915	6.5
244.02016	1.5
245.01749	0.1
260.04666	0.3
261.03009	100.0
262.03149	21.4
263.02869	2.3
266.03555	0.4
266.98700	0.2
275.04507	0.2
279.00461	1.1
280.00967	0.2
283.00046	0.2
284.04602	3.9
284.99881	2.3
285.04840	1.8
285.99985	0.2
286.04666	0.2
288.51199	0.1
301.01007	0.2
302.30496	0.2
303.00781	4.7
303.05252	6.7
304.00839	0.4
304.05612	0.6
320.98401	0.2
321.01614	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.1
53.64271	0.1
55.01864	0.3
65.03916	0.5
67.01856	0.3
67.05479	0.3
68.99774	1.8
69.03403	0.2
69.07044	0.1
70.94199	0.1
70.94537	0.1
71.01320	0.1
79.05473	0.1
81.03400	0.5
81.07024	0.1
85.02895	0.1
91.05470	0.2
93.03401	0.6
93.07014	0.1
95.04954	0.7
95.08606	0.1
97.02872	0.1
97.06507	0.1
99.04403	0.1
103.05460	0.1
105.03369	0.2
105.07013	0.1
107.01305	0.1
107.04930	0.2
109.02852	1.1
110.03656	0.1
111.00780	1.8
111.04400	0.1
115.05450	0.2
117.06994	0.4
119.04892	0.1
121.02841	2.1
121.10187	0.1
123.04408	0.7
127.03870	0.6
128.06201	0.1
129.06956	0.1
131.04913	0.3
133.02840	0.2
133.06454	0.2
135.04376	0.5
137.02313	7.4
137.05913	0.2
138.02644	0.1
143.04903	0.1
145.02803	0.2
145.06447	0.6
147.04337	0.1
149.02327	0.8
149.06020	0.1
151.03862	0.1
153.01797	9.4
154.02147	0.2
155.04868	0.7
155.05991	0.1
157.06494	0.1
159.04370	0.2
161.05954	0.6
163.03885	1.1
163.07501	0.1
165.01807	3.8
166.02592	0.5
167.03407	0.1
170.05835	0.1
171.02992	0.1
171.04385	0.1
173.02318	0.1
173.05960	1.2
177.01804	0.2
177.05457	0.2
179.03366	0.4
183.02861	1.6
183.04410	0.7
185.05917	0.1
187.03873	0.9
188.07188	0.1
189.05511	0.1
191.03374	0.3
191.06958	0.2
194.02200	0.1
195.02878	0.4
200.04671	0.1
201.05431	4.5
202.05797	0.1
203.03343	0.1
205.04970	0.4
207.02867	0.2
211.03870	0.3
213.05464	0.2
215.03365	0.2
217.05031	0.1
219.02885	0.3
219.06511	0.5
227.10493	0.1
228.04135	0.5
229.04915	8.9
230.05374	0.2
231.02841	0.1
232.03584	0.2
233.04453	0.2
239.03497	0.4
240.11266	0.1
243.02600	0.1
245.04553	0.1
246.05246	0.2
247.05977	1.4
247.08385	0.1
256.03650	0.1
256.10754	0.2
257.04395	5.0
258.04950	0.3
259.14404	0.1
267.02927	0.1
274.04666	1.4
275.05396	0.4
285.03888	2.3
286.04471	0.2
286.11813	0.1
302.04077	0.1
303.04926	100.0
304.05261	4.8
304.12695	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	302.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67339	0.5
55.01858	0.7
57.03420	2.2
61.02917	1.4
65.03922	1.2
66.27617	0.6
67.05497	25.8
69.03420	14.7
69.07058	8.0
70.06580	3.4
70.62079	0.6
71.00702	1.9
71.04972	0.7
73.02907	1.3
81.03414	3.7
84.08115	1.0
84.79926	0.5
85.02895	32.0
94.06551	1.3
95.04958	40.9
96.04504	0.6
96.05293	0.6
97.02881	28.9
99.04449	1.7
103.03924	2.9
107.84529	0.6
109.02866	7.5
112.07592	31.9
113.05978	3.2
113.07961	0.7
115.03828	0.7
122.06019	1.4
123.04413	1.1
124.07606	1.8
127.03889	7.6
136.07549	3.3
140.07048	100.0
141.07396	2.1
145.04962	3.6
150.09137	1.0
152.07039	1.0
154.08614	5.6
156.66962	0.6
158.08147	1.0
164.07077	0.8
171.46094	0.6
178.08600	2.4
182.08109	58.1
183.08463	1.9
183.36783	0.5
191.17604	0.6
206.08118	12.3
218.08047	1.3
222.10626	0.6
228.18832	0.7
236.09134	2.4
248.09180	8.1
266.10141	0.8
284.11249	1.4
302.12338	4.0
303.01263	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.013
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
50.65282	0.1
53.03928	0.2
55.01844	0.2
55.05500	0.3
55.85288	0.1
57.03418	0.5
59.60135	0.1
65.03962	0.2
67.05500	0.8
68.99776	0.3
69.03405	0.7
69.07063	0.5
69.36330	1.6
70.06583	0.2
71.04973	0.4
73.02893	0.2
79.05474	0.6
81.03423	0.8
81.07045	1.6
82.18568	0.1
83.04977	0.2
85.02888	0.6
85.06522	0.2
89.03923	0.4
91.05480	0.9
93.07027	0.6
94.06557	0.2
95.04945	0.7
95.08593	1.8
95.79368	0.1
97.02855	0.2
97.06522	1.0
99.04440	0.3
99.08078	0.5
103.05465	0.3
105.07030	0.5
107.04972	0.2
107.08578	0.2
109.02873	0.7
109.06493	0.2
109.10139	0.4
110.06033	0.5
111.00799	0.2
112.07600	0.2
113.05984	0.4
117.03366	0.4
119.04938	0.5
119.08536	0.3
120.04420	1.0
121.02847	0.2
121.06487	0.3
121.10152	0.2
122.05986	0.4
123.04380	0.3
123.08080	1.1
124.07578	0.3
127.03910	0.5
129.03349	0.2
131.04926	0.3
131.07039	0.5
131.08559	0.3
133.02869	0.2
133.10110	0.3
134.06001	0.3
135.04381	0.3
135.47787	0.1
136.07582	0.3
137.02309	0.7
137.05946	2.6
140.07079	0.8
141.05453	1.0
141.07841	0.8
141.09105	0.9
142.08604	1.7
145.02789	1.3
147.04376	1.3
147.11617	0.2
149.05930	0.3
149.13216	0.2
151.03882	0.6
151.07555	0.2
153.01796	0.8
153.05447	0.3
153.07024	0.2
154.08675	0.2
155.08490	0.2
157.02826	0.9
157.10030	0.2
159.06474	0.2
162.05479	9.1
163.03888	0.8
163.07477	0.2
165.01755	0.4
165.05548	0.2
165.06891	0.2
169.10135	0.2
173.02316	2.6
173.03639	0.2
173.13185	0.2
175.03845	1.0
175.14836	0.2
183.00664	0.3
183.02902	0.2
185.02275	0.7
191.03383	1.4
201.01790	8.1
201.05476	0.5
203.03383	1.3
205.01349	0.2
207.02835	0.4
211.00340	0.2
211.07492	0.2
213.01830	1.1
217.01338	0.7
219.02924	1.1
229.01289	7.0
229.04688	0.8
230.01665	0.2
231.02823	1.8
239.11916	0.3
241.01192	1.0
241.19569	0.2
247.02350	6.7
257.00763	17.1
258.01077	0.4
258.11093	0.2
259.02328	1.9
261.12341	0.7
267.11292	0.4
271.09424	0.3
275.01813	13.1
276.02249	0.3
285.00266	11.7
285.12332	0.7
286.00906	0.7
286.10706	0.4
303.01349	100.0
303.04880	12.9
303.22922	0.7
304.01654	3.0
304.05121	0.4
321.15033	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.01869	1.1
57.03452	1.9
59.19163	0.4
61.02913	2.0
65.03936	0.8
67.05498	20.0
69.03423	12.1
69.07061	6.9
70.06594	1.0
70.94846	1.1
71.04988	0.5
73.02899	0.6
77.16984	0.4
79.05460	0.4
81.03412	4.1
84.08149	0.9
85.02900	31.5
86.03238	0.4
94.06561	1.2
95.04961	36.8
96.05329	0.7
97.02884	26.2
99.04436	0.9
103.03922	3.4
106.06506	0.5
108.77191	0.4
109.02867	5.8
112.07598	28.5
113.05988	2.8
116.79317	0.4
122.06046	1.7
123.04423	1.3
124.07584	1.5
127.03907	6.9
136.07529	1.9
140.07054	100.0
140.71637	0.4
141.07385	2.0
145.04941	4.0
152.07022	0.6
154.08606	5.2
158.08130	0.7
164.07059	0.7
170.08292	0.5
178.08606	2.9
182.08118	57.8
183.08458	1.6
206.08099	11.2
207.08478	0.6
218.08073	2.1
220.09575	0.6
236.09154	2.9
248.09164	7.6
266.10211	0.7
284.11252	0.7
302.12399	3.5
303.01282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
57.03419	4.9
61.02916	4.7
63.94083	1.4
67.05492	7.6
69.03429	14.3
69.07068	3.8
70.06580	15.9
70.99905	1.7
71.00222	3.6
73.02882	2.6
79.05495	4.3
81.03408	9.8
81.07043	5.5
84.04514	1.9
85.02894	88.6
86.02395	1.6
91.03943	1.9
95.04958	6.7
95.08572	1.7
97.02874	45.1
97.06522	2.0
99.04455	4.7
103.03931	6.5
108.08116	10.6
109.02868	13.4
112.07597	15.7
122.06004	7.8
125.05988	8.4
126.05496	5.9
126.09163	4.0
127.03893	23.1
136.07550	15.2
140.07048	50.9
141.05431	1.7
145.04922	15.9
150.09135	3.9
152.07042	21.1
154.08612	6.5
158.08093	2.7
163.06000	3.0
164.07063	23.9
178.08611	17.9
182.08109	100.0
183.08450	3.3
192.03494	1.7
206.08078	43.1
215.18153	1.6
218.08150	4.0
229.47269	1.7
231.02490	1.7
236.09090	5.1
248.09171	11.6
257.00748	2.1
302.11523	2.7
303.01294	9.7
303.04971	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	302.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01867	0.7
57.03168	0.6
57.03431	2.9
60.33993	0.6
61.02903	2.0
65.03915	1.2
65.50808	0.6
67.05495	23.7
69.03076	1.0
69.03422	14.5
69.07056	7.3
70.01802	1.1
70.02214	2.8
70.06585	3.4
71.04980	1.2
73.02902	1.3
81.03406	5.1
84.04483	0.9
84.08112	0.9
85.02890	31.7
86.03223	0.6
86.09682	2.0
91.03943	0.6
91.05437	0.5
94.06564	1.1
95.04951	42.2
97.02877	29.7
98.03169	0.6
98.97571	0.8
99.04433	1.7
103.03928	4.0
109.02854	6.9
112.07583	35.7
113.05994	4.5
113.07947	0.7
122.06020	1.1
123.04404	1.8
124.07571	1.9
127.03908	6.4
134.05943	0.6
136.07536	2.4
137.05928	0.9
140.07040	100.0
141.05481	0.9
141.07426	3.0
145.04924	4.2
150.09129	1.4
152.07057	1.5
153.01839	1.0
154.08591	5.5
158.08081	0.7
164.07011	1.4
170.08081	1.5
173.02429	0.6
173.07068	1.3
178.08609	3.3
181.09695	0.7
182.08099	57.6
183.08380	1.7
206.08084	12.0
218.08128	2.0
236.09201	1.8
248.09148	9.0
266.10229	1.4
273.09174	0.7
276.69321	0.7
284.11316	0.9
285.12320	1.4
288.05365	0.7
302.12305	3.0
303.01352	5.2
303.13330	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0867
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
53.00312	0.2
53.03928	0.3
55.01852	0.8
55.20960	0.2
56.96564	1.1
57.03433	1.1
59.04990	0.2
59.16727	0.2
61.02916	1.6
66.03444	0.1
67.05506	0.3
69.03076	0.3
69.03421	3.7
69.07069	0.2
70.06575	0.5
70.37530	0.4
70.37943	0.5
71.04993	0.4
73.02901	0.9
78.03432	0.8
79.05493	0.2
81.03410	1.6
81.07028	0.2
81.61701	0.2
83.04971	0.3
84.96009	0.2
85.02894	8.9
86.09654	0.2
87.04472	0.8
91.03944	0.8
95.04951	0.3
96.01984	0.2
97.02884	3.1
97.06525	0.4
98.97558	1.3
99.04432	0.7
105.05511	0.2
108.08095	0.5
109.02853	1.2
112.07598	0.4
116.98591	0.7
119.01920	0.6
122.02370	1.0
122.06035	1.3
123.06448	0.2
127.03911	2.2
128.98624	0.4
134.05989	1.1
134.99612	0.4
136.07582	0.4
137.05888	0.2
140.03409	100.0
140.06993	2.7
141.03787	1.5
143.01880	0.2
145.03410	0.2
145.03804	0.2
145.04942	2.1
147.03131	0.2
152.07057	2.4
153.01814	1.3
155.01900	0.2
157.03508	0.2
158.02867	0.2
158.99625	0.3
161.02972	0.6
164.07057	0.4
170.08098	0.4
173.02963	0.3
177.00739	0.6
182.08096	0.4
189.00708	0.2
191.07608	0.2
199.34676	0.2
200.04030	0.2
200.54910	0.2
202.09395	0.2
204.99998	0.2
212.07816	0.2
219.01796	0.3
219.58081	0.3
220.08456	0.3
221.05054	0.3
227.06746	0.2
237.02809	0.5
256.06549	0.3
260.09625	0.2
261.02985	0.5
273.09122	0.8
279.04044	0.3
282.44327	0.2
285.09183	0.3
293.10739	0.2
302.08679	3.8
302.12186	1.3
303.01361	0.7
303.04919	0.3
303.09396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01847	3.6
55.05502	15.3
57.03415	3.3
57.07069	5.4
57.07299	1.0
58.85498	1.3
59.04977	1.9
65.65530	1.2
67.05484	21.2
69.03410	5.8
69.07053	27.6
70.06569	1.2
71.04978	12.5
71.08621	2.2
71.62731	1.0
73.06525	1.3
79.05471	12.0
81.03401	3.2
81.07035	49.2
81.07513	2.4
83.04964	5.0
83.08597	14.5
85.02892	2.6
85.06531	9.7
91.05453	22.1
91.63194	1.1
93.07023	20.8
95.04945	7.4
95.08586	46.9
96.08891	1.8
97.06516	12.1
97.10158	8.6
99.08070	4.4
105.07001	13.1
107.04973	5.5
107.08564	17.0
109.02874	1.4
109.06480	4.0
109.10136	36.6
110.10478	1.8
111.04422	1.2
111.08044	6.0
111.11693	6.0
112.07597	1.6
113.09621	4.4
114.66396	1.2
115.05475	1.7
117.07005	3.6
119.04905	7.5
119.08563	10.0
120.05730	1.3
121.06483	4.9
121.10122	14.9
123.08078	2.4
123.11674	20.1
125.09599	3.4
125.13229	2.0
127.03903	1.7
127.11134	1.6
129.06990	2.3
131.08574	5.4
133.06494	1.7
133.10127	10.6
135.04362	2.7
135.08052	2.4
135.11650	11.1
137.05963	5.6
137.09604	3.6
137.13219	12.7
139.07475	1.4
139.11143	2.1
140.07050	3.5
141.06964	3.1
142.07690	1.1
143.08521	3.2
145.10110	6.4
147.04364	1.6
147.08058	1.5
147.11662	5.1
149.05966	4.5
149.09583	1.6
149.13197	8.1
151.03940	1.3
151.07553	1.4
151.11182	3.0
151.14821	4.3
152.06190	9.2
153.06947	15.6
153.12691	1.1
155.04926	1.2
155.08539	2.9
157.06425	2.0
157.08827	1.2
157.10104	5.2
159.11653	9.9
161.05969	2.7
161.09605	2.1
161.13266	2.7
163.11139	1.9
163.14804	4.5
165.06953	11.9
165.16365	3.4
166.07739	1.7
167.07048	2.9
167.08559	4.5
168.05717	4.3
169.06465	6.4
169.10136	1.1
170.07281	5.8
171.07928	1.5
171.11667	2.4
173.09572	3.4
173.13252	5.0
175.11128	2.3
177.05452	4.5
177.06943	2.5
177.08981	1.2
177.12726	2.0
177.16281	5.7
179.14288	1.9
179.17946	1.2
180.05647	2.5
181.06438	20.4
181.10066	1.2
182.07291	3.8
183.04387	2.2
183.07985	7.7
185.06096	1.5
185.09543	1.5
185.13208	2.3
187.07529	2.7
187.14781	2.0
189.12688	1.3
191.14322	1.3
191.17935	7.4
192.18263	1.7
193.06363	1.6
195.08052	6.9
196.05180	3.4
197.05916	7.1
198.06718	13.6
199.07448	4.2
199.14807	2.1
201.16327	1.9
205.12100	1.5
208.05185	3.2
209.06023	6.7
209.11650	1.2
209.19006	2.4
210.06735	2.6
211.07495	6.7
212.08232	2.1
213.05550	1.8
213.08998	11.3
213.16435	2.9
215.07079	3.3
223.07553	5.6
224.04700	1.8
225.05389	2.6
225.09082	2.0
226.06215	13.6
226.09843	1.7
227.06984	5.2
227.18060	1.9
237.05527	2.7
237.08932	1.5
239.07042	2.1
240.07677	1.8
241.08557	16.7
242.09190	3.6
243.06511	3.5
243.17506	1.2
247.24162	10.5
251.07059	4.2
253.04971	1.7
255.06735	2.0
255.09880	1.7
255.21001	2.1
258.08762	2.8
265.25211	8.8
269.07974	10.4
269.17459	3.0
270.08691	2.2
271.05814	1.2
272.10461	1.6
273.03775	1.7
273.11111	2.4
281.94208	1.3
283.09604	1.5
283.20532	3.0
283.23688	1.3
283.26343	9.2
286.08313	2.9
295.54672	1.2
301.03714	7.1
301.10696	100.0
301.14307	12.6
301.21567	23.4
301.25244	10.3
302.04077	3.2
302.11063	13.2
302.21997	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39364	0.7
53.03926	0.8
55.01842	2.2
55.05500	10.3
57.03422	1.7
57.07072	5.1
59.04976	1.4
59.96047	0.6
60.12941	0.7
62.59993	0.7
65.03916	1.2
67.05490	11.1
69.03405	3.1
69.07057	20.7
70.06588	1.2
71.04966	3.5
71.08612	1.7
71.62914	1.3
73.02901	0.7
73.13908	0.7
73.54980	0.8
77.00166	0.7
77.03896	1.0
79.05480	5.2
81.03380	2.7
81.07044	32.8
83.04948	3.1
83.08600	10.9
85.02881	2.4
85.06515	3.1
91.05478	9.4
93.06461	1.1
93.07024	12.7
95.04961	3.7
95.08592	35.9
96.08891	0.9
97.06507	3.3
97.10159	6.4
99.04398	0.8
99.08048	3.1
105.07014	3.7
106.60387	0.6
107.04903	2.6
107.07948	1.1
107.08583	11.3
109.02824	2.2
109.06482	2.3
109.10143	27.8
110.10463	0.8
111.04403	1.2
111.08060	3.3
111.11700	4.5
112.07603	1.1
113.09616	4.8
117.06966	1.1
119.04944	4.8
119.08543	3.4
120.05710	1.2
121.02880	1.0
121.06452	2.2
121.10118	11.2
123.04374	1.4
123.11680	14.3
125.09599	1.5
125.13268	1.7
127.07571	1.1
127.11171	1.3
129.09079	0.9
131.04813	0.9
131.08539	2.3
133.06479	1.6
133.10092	2.7
134.03590	0.8
135.04362	1.0
135.11653	7.5
137.05957	4.7
137.13232	13.7
137.47655	0.8
139.03899	1.0
139.07492	4.6
139.11140	1.8
140.07024	1.5
141.06941	1.6
143.08530	0.9
145.06482	1.3
145.10078	2.3
147.11624	2.0
149.05951	3.2
149.13216	5.5
151.07527	1.4
151.11089	1.0
151.14809	5.1
152.06177	4.6
153.06955	9.6
154.07578	1.4
155.08519	1.4
156.44490	0.7
157.08600	2.1
157.09953	0.9
159.08058	1.4
159.11627	2.0
161.05946	2.2
161.09645	1.0
161.13200	1.6
163.14763	3.7
165.06982	8.1
165.16348	5.6
166.07726	1.1
167.06998	2.8
167.08482	2.1
168.05692	2.5
169.06447	4.4
170.07237	4.3
171.07980	0.9
171.11607	1.1
173.09634	1.2
173.13200	0.9
175.11134	1.0
175.14799	0.9
177.05383	2.8
177.06850	1.6
177.09143	1.0
177.16350	7.2
180.05634	2.9
181.04951	1.4
181.06438	16.4
182.07104	3.0
183.04391	2.5
183.08003	3.6
183.17377	1.4
184.05058	0.9
185.09616	1.9
185.13358	2.1
187.07449	2.2
191.17947	8.5
193.06447	1.7
194.07198	1.4
195.08008	5.9
196.05214	1.7
197.05981	5.1
197.13281	1.2
198.06718	14.4
199.01718	0.7
199.07336	3.1
205.19289	0.8
208.05147	2.8
209.05901	2.4
210.06744	1.3
211.03842	2.9
211.07439	4.3
212.04602	0.9
212.08218	1.3
213.09059	8.0
213.16386	1.1
215.06956	2.6
215.14407	1.0
223.07486	3.8
224.04601	0.9
225.05368	2.7
226.06209	22.3
227.06888	6.4
237.05406	1.7
239.06964	2.5
240.07715	2.8
241.04892	1.2
241.08571	25.3
242.09024	2.6
243.06448	3.6
247.16879	1.2
247.24168	13.2
251.06921	3.5
254.05768	5.3
255.06523	7.0
255.10330	1.0
256.07062	1.0
257.07953	1.4
258.08762	2.9
265.17950	0.9
265.25253	13.2
268.07129	1.1
269.08047	29.8
270.08749	10.9
271.05981	1.8
271.09061	1.2
272.10464	2.5
273.11136	1.8
283.09781	1.0
283.20837	1.2
283.26291	8.2
286.04599	2.8
286.08188	4.7
301.03391	2.0
301.07144	6.3
301.10629	100.0
301.21512	4.7
301.25024	1.8
302.07584	1.3
302.11038	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	301.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01864	30.7
55.05504	29.4
57.03430	45.0
57.07066	1.3
59.04998	1.4
60.02130	1.1
61.02904	3.6
63.88852	0.9
67.05497	26.8
69.03415	5.2
69.07059	7.5
69.29636	10.0
70.04185	1.2
71.01308	1.5
71.04966	2.4
73.02908	15.4
77.79080	0.8
79.05053	1.6
79.05486	23.3
81.03410	6.8
81.07047	21.7
81.91499	0.9
82.04199	8.1
83.04968	19.5
83.08611	11.6
84.05751	1.5
85.02880	3.1
85.06525	2.4
87.04424	1.5
90.71018	0.8
91.05470	16.5
93.07033	15.4
94.07816	0.9
95.04956	13.9
95.08588	9.9
96.05745	1.3
96.09386	0.9
97.02866	2.9
97.06526	9.8
97.10159	21.3
98.06768	1.3
98.07314	11.8
99.08063	1.2
101.06001	3.5
103.03861	0.8
105.07021	10.3
107.04932	4.2
107.08582	15.3
109.06501	4.0
109.10126	5.0
111.04427	1.6
111.08072	4.9
116.04696	45.2
117.06989	2.8
119.08577	9.5
120.09361	1.0
121.06499	2.3
121.10120	5.3
122.07270	1.2
122.10888	1.0
123.08038	7.6
123.11641	1.3
124.08807	1.2
125.05984	1.2
125.09619	22.4
126.10369	1.8
127.07541	1.7
127.72990	0.8
129.05463	100.0
129.07018	2.8
130.06160	1.2
131.08572	5.9
133.06438	0.9
133.10107	9.7
135.08029	4.0
135.11671	4.0
136.08775	1.3
137.09595	3.1
140.07051	2.0
142.07729	1.4
143.07013	21.8
143.10590	1.2
145.10112	3.3
147.11667	6.7
149.09583	3.9
153.09041	3.3
154.09793	1.2
155.06952	1.4
157.08592	40.1
157.10056	6.0
159.11661	2.1
159.35358	0.8
161.13303	1.4
163.11256	4.4
164.11954	2.4
165.12727	2.2
171.10138	15.3
171.11523	0.8
173.13272	1.4
175.11118	5.1
181.12199	2.2
182.08139	1.0
184.11017	1.2
185.11668	4.1
189.11194	32.4
191.10670	1.6
192.11464	0.9
193.12183	5.0
199.13237	7.0
200.14082	11.9
209.11749	1.8
210.12518	2.5
211.13188	1.2
213.14676	1.2
223.13298	1.2
227.12753	19.1
255.15945	1.9
255.21033	2.4
301.03397	3.1
301.16425	87.5
301.21332	4.2
301.25317	2.4
302.16843	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	301.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01623	2.3
55.01867	30.8
55.05503	35.2
56.01953	2.2
57.03428	44.2
57.06148	2.2
59.04980	3.7
59.52031	2.1
61.02914	3.8
65.03923	3.3
67.05497	38.1
69.03419	12.6
69.07072	13.0
69.33466	23.8
71.04976	3.0
73.02908	16.6
79.05477	30.7
81.03411	9.3
81.07048	29.5
82.04193	7.4
82.07834	2.3
83.04966	18.0
83.08590	14.8
85.02884	6.1
85.06517	2.9
87.04463	3.7
90.94818	2.2
91.05471	25.3
93.07040	30.1
95.04958	22.0
95.08586	15.9
97.02899	8.5
97.06537	11.1
97.10149	25.6
98.07292	9.0
101.06026	3.8
105.07013	14.3
107.04946	7.3
107.08566	19.3
109.06500	6.4
109.10146	25.4
111.04417	4.3
111.08058	7.7
116.04706	40.4
117.07009	3.5
119.04955	3.1
119.08566	22.4
121.06435	3.6
121.10143	12.5
123.08073	10.6
123.11675	4.1
125.09611	23.6
129.05466	91.1
129.06960	4.4
131.08560	6.5
133.10118	11.9
135.08044	8.8
135.11723	6.6
136.08812	2.4
137.09596	10.6
140.07080	6.5
143.07021	20.1
145.10106	8.2
147.11632	8.7
149.09613	3.1
153.09131	2.7
153.24973	2.3
157.08601	41.0
157.10100	6.2
159.11667	4.8
161.09621	3.2
163.11177	9.7
165.12679	3.1
170.97243	2.0
171.10133	11.3
173.09558	2.4
173.13249	4.1
175.11185	5.4
175.14848	2.5
181.12135	3.2
182.08131	3.9
185.11731	5.2
187.14795	2.4
189.11212	26.3
191.10701	3.5
191.14322	10.9
193.12294	5.3
199.13324	8.3
200.14058	14.5
209.11757	5.3
210.12401	3.9
227.12764	16.5
255.21092	2.7
283.20428	3.0
301.03369	5.9
301.07147	3.0
301.10922	5.3
301.16446	100.0
301.21619	31.3
301.25046	4.3
302.16861	3.4
303.83514	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77127	1.7
53.03931	3.0
55.01866	27.8
55.05253	2.9
55.05501	35.3
57.03146	2.7
57.03429	53.7
59.04972	2.2
61.02909	2.6
65.15530	1.7
67.05496	37.3
69.03410	7.4
69.07057	18.3
71.01365	2.6
71.05000	3.4
71.21142	1.9
71.62610	3.3
73.02911	14.2
75.58394	1.7
79.05061	1.9
79.05482	35.1
81.03413	8.6
81.07045	31.5
82.04169	6.9
83.04968	19.2
83.08604	16.7
85.02880	5.5
85.06516	4.1
87.04453	2.6
91.05460	19.5
93.07035	25.6
95.04949	18.8
95.08607	13.6
96.05733	2.0
97.02865	3.6
97.06523	8.9
97.10156	22.9
98.07281	9.3
99.08067	2.2
101.06002	3.0
105.07008	15.4
107.04921	3.7
107.08572	21.4
109.06499	4.8
109.10140	10.0
111.04417	3.4
111.08058	5.2
114.90830	1.7
116.04690	38.7
117.06990	5.3
119.08564	11.6
121.06510	2.0
121.10111	14.4
123.08038	6.5
123.11748	2.6
125.09608	21.3
129.05460	90.6
129.07005	4.6
130.05893	2.0
131.08583	8.9
133.10103	13.2
135.08037	5.9
135.11639	9.6
137.09612	3.5
140.07043	5.2
143.07005	20.5
143.08160	1.9
143.08525	1.8
145.10135	9.0
147.07990	4.1
147.11658	9.3
149.09634	3.7
153.09064	2.0
157.08594	32.8
157.10011	4.5
159.11688	2.5
160.66486	1.9
163.11179	6.0
171.10103	13.1
171.11504	3.9
173.13268	3.1
175.11160	6.3
181.12193	4.2
182.08028	2.7
185.11711	4.2
185.13181	1.9
188.66544	2.1
189.11200	30.6
193.12192	5.4
199.13232	9.9
199.14830	2.1
200.13976	10.3
209.11751	4.7
210.12462	5.3
227.12715	15.5
255.21260	2.9
265.19662	1.9
283.15533	2.0
283.20618	2.6
283.24036	1.9
301.03430	5.9
301.10742	3.7
301.16406	100.0
301.21509	13.8
301.25262	5.4
302.16745	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	301.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23759	1.0
53.03940	2.0
55.01849	2.4
55.05502	2.4
56.96553	2.3
57.03415	4.3
59.04983	1.6
67.05489	2.5
69.03432	6.6
69.07041	2.1
70.06241	1.7
70.06585	24.5
70.43053	3.7
71.04982	2.5
72.08089	1.6
73.02887	1.9
74.99361	1.2
78.04675	2.2
79.05470	2.5
81.03383	3.4
81.07070	1.3
83.04974	2.7
84.04523	1.1
84.08130	1.9
85.02887	7.2
86.09713	2.7
91.05464	8.3
93.07027	6.0
95.04942	5.1
97.02896	6.2
98.97556	1.7
99.04443	2.0
103.05450	7.7
106.04169	1.5
107.04950	5.1
109.02850	5.5
109.06522	1.5
111.04414	4.1
112.07596	19.3
114.54038	1.1
116.07056	1.2
116.98578	2.3
119.04904	2.6
121.02837	3.2
121.06487	16.4
121.08591	3.4
122.05990	2.5
122.08927	1.4
123.04398	4.8
124.05190	2.2
127.03894	6.4
131.04926	7.9
133.02814	3.2
134.03598	1.7
134.06029	1.9
134.99585	1.9
135.04362	2.2
137.05959	12.1
138.09102	1.9
139.03865	6.6
139.07462	1.3
140.03416	27.6
140.04622	3.9
140.07010	10.8
145.02737	1.5
145.04903	1.4
147.04373	2.5
148.05211	2.0
149.04787	1.2
149.05959	22.4
151.03911	2.7
152.04681	2.1
152.07036	3.1
153.01811	8.0
153.05409	4.7
155.07005	2.4
158.08113	4.7
159.04414	6.3
161.05940	1.6
163.03917	2.8
164.06993	1.5
165.05450	6.2
166.06229	4.4
167.07021	100.0
168.07378	1.8
176.04724	1.5
177.05450	48.5
178.09862	1.0
179.07069	2.5
181.04956	2.4
182.05745	5.9
183.06534	2.2
191.06961	2.8
193.05058	1.4
194.05759	2.8
195.06483	1.9
197.08188	2.2
209.08057	34.5
210.08446	1.6
212.06601	5.4
225.07571	4.6
226.08104	1.3
227.09105	24.6
227.11311	1.9
237.02849	1.9
238.11665	1.8
247.09583	1.2
253.10657	1.4
256.12357	1.1
284.11237	1.8
301.06311	1.3
301.14645	1.3
301.17496	2.0
302.00812	1.3
302.11780	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	301.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.9
55.01865	9.4
55.05492	3.9
56.04374	1.1
56.96545	1.1
57.02082	1.2
57.03413	5.4
57.07062	1.1
65.03932	5.2
67.05492	7.0
69.03420	8.3
69.07064	5.5
70.06599	5.3
71.04973	3.8
71.61227	1.6
72.08147	1.6
73.02907	44.5
75.04462	2.7
78.86625	1.1
79.05474	3.9
81.03424	5.2
81.07032	4.3
83.04959	4.1
84.08133	1.6
85.02900	6.8
85.06528	2.1
86.09673	1.4
91.03918	1.9
91.05449	4.9
93.03369	1.7
93.07037	8.6
95.04954	13.5
95.08573	4.6
96.08080	1.3
97.02869	5.1
97.06499	5.1
97.07049	1.1
98.49168	1.0
98.79594	1.5
98.97582	2.5
99.04440	2.2
103.05463	1.8
105.07004	1.7
107.08587	2.9
109.02872	6.0
109.06495	3.3
109.10114	3.9
110.03651	2.2
111.04453	8.8
111.08057	2.3
112.07580	4.4
113.05983	1.3
115.07600	1.3
121.02875	2.0
121.06497	5.9
121.10104	3.8
123.04408	18.1
125.02341	3.1
125.05956	3.4
125.09579	2.0
127.03886	6.1
128.06148	1.3
130.06512	2.6
131.04877	2.1
131.08504	1.7
133.10065	2.2
134.05992	1.4
137.05930	3.2
139.03853	6.5
139.07495	6.3
140.04665	68.8
140.07019	4.8
141.05095	1.5
141.10057	1.0
142.02628	1.4
144.08051	2.9
145.04883	1.7
145.10056	2.1
147.06493	3.8
149.05927	4.8
151.03877	2.8
153.05431	5.1
153.06898	1.1
155.07007	100.0
156.07278	2.9
157.04918	2.8
157.07571	3.6
158.00006	2.7
158.06042	1.2
158.09561	2.2
158.99657	1.8
160.11201	2.0
165.05496	1.0
165.06978	1.2
167.06978	5.4
169.07578	1.3
171.06528	4.2
173.08066	9.4
173.13211	1.1
175.14775	1.6
177.05499	5.8
179.06982	2.7
181.04935	98.6
181.08479	4.1
182.05350	2.5
182.08099	1.4
184.07555	2.4
198.06613	1.5
209.06039	1.7
209.08063	25.3
213.09047	1.3
225.07452	1.5
225.94341	1.0
226.06119	2.3
227.09116	72.7
228.09572	2.2
241.08548	3.0
255.06409	1.6
255.11075	2.0
257.12683	1.2
269.07996	2.9
273.12143	1.2
283.11084	3.3
291.03857	3.8
301.03400	2.3
301.06595	2.8
301.12265	16.3
301.15494	12.9
301.20932	1.8
302.12500	1.1
309.04794	1.5
315.10818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.8
56.96552	4.3
57.87664	0.6
70.08073	3.2
70.95855	1.2
71.95272	1.1
76.71995	0.6
83.05001	1.0
88.43292	0.7
97.22970	0.8
98.20802	0.8
98.21345	1.5
98.97567	53.0
109.10135	0.8
116.98605	51.2
118.03564	0.7
119.01843	3.7
120.02039	1.3
132.05069	1.7
134.99637	34.4
137.02980	1.8
138.03003	1.0
139.02676	0.9
140.00200	1.8
142.67894	0.7
144.05629	0.7
146.03600	0.7
150.06136	0.8
153.00685	7.6
155.07069	2.2
158.01260	1.5
162.06749	1.6
163.04518	1.1
164.04726	1.2
176.08357	1.3
177.00932	19.0
177.02394	1.5
178.00993	6.1
179.00677	5.6
182.99886	1.9
188.08286	1.8
190.06206	1.5
192.94713	1.2
201.00937	4.3
203.02484	1.1
205.00421	0.9
210.95912	4.2
212.04988	0.7
214.04166	1.8
214.06097	1.3
218.03595	2.7
219.01976	100.0
220.02054	20.0
221.01775	9.9
222.01877	2.2
223.01680	1.1
225.94588	0.8
234.95805	2.8
234.99696	1.0
236.99721	1.2
240.98509	4.2
242.03566	2.8
243.03680	0.9
252.96872	5.1
256.05130	3.0
258.02954	9.9
258.08981	1.0
258.99658	48.4
259.99756	1.8
260.02313	1.6
261.02942	2.1
262.03183	2.0
263.02869	8.7
267.95490	0.9
273.03024	1.3
274.06152	3.4
275.97598	1.2
276.04163	8.0
276.96930	8.7
277.00552	83.7
277.94067	0.9
278.00607	4.8
282.03159	5.2
282.99976	5.0
294.97983	6.9
295.03619	1.4
295.98306	0.9
299.97580	1.9
300.04071	28.9
300.09680	22.5
300.18707	0.8
301.01004	14.8
301.04214	2.3
301.09311	1.0
302.01257	0.8
317.98932	3.3
318.05038	5.2
318.10999	2.0
318.98352	1.0
319.02039	1.1
323.05612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.1
55.05504	10.1
57.07072	3.4
59.65696	0.7
62.17815	0.7
67.05162	1.1
67.05495	15.1
69.06715	1.1
69.07059	14.8
69.94463	1.6
69.94868	2.7
71.08621	1.5
79.05482	5.0
81.06570	1.2
81.07046	23.1
83.04966	1.0
83.08612	7.2
85.10142	0.7
91.05466	4.8
93.07036	12.4
95.04929	0.7
95.08595	46.6
96.08935	0.8
97.10157	6.5
105.07022	14.9
107.08577	18.8
109.10143	25.3
111.11656	1.2
117.06984	1.3
119.08559	13.7
121.10126	14.5
123.11688	13.2
124.26504	0.8
131.08549	3.2
133.10121	13.3
135.11673	10.2
137.13235	5.6
138.46744	0.7
145.10101	4.4
147.11674	16.0
149.13223	9.5
153.47096	0.6
157.10149	1.0
159.11629	3.9
160.33458	0.6
161.13249	20.0
162.13608	0.8
163.14806	5.6
169.10126	0.8
169.59796	0.8
171.11649	0.8
173.13268	2.3
175.14774	6.8
177.16345	5.5
185.13272	1.2
187.14804	3.2
189.16360	13.7
190.16772	1.1
191.17928	9.0
192.18185	0.9
201.16338	6.2
203.17923	12.9
205.19305	0.7
215.17892	8.1
217.19485	8.3
229.19492	4.4
243.20995	4.0
257.22552	1.9
299.20032	2.0
299.27295	100.0
300.27737	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	299.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	8.9
53.03924	3.8
55.01851	5.5
55.05503	41.3
56.05808	1.1
57.03429	28.5
57.07076	2.3
59.05016	6.0
59.05267	1.8
65.03926	1.7
67.05164	2.4
67.05497	25.4
69.03408	3.9
69.07056	8.4
70.81524	3.2
71.01341	6.6
71.04981	2.4
71.08604	1.6
79.05486	16.9
81.03411	9.2
81.07045	36.3
83.04963	5.1
83.08144	1.8
83.08609	29.1
85.06525	2.7
91.05469	35.8
93.07028	29.4
95.04932	8.1
95.08578	11.2
97.02876	9.1
97.06494	7.7
97.10142	4.9
99.00797	47.5
99.04423	1.5
102.65874	1.3
103.05435	2.6
105.07018	28.4
106.07348	1.3
107.04929	11.5
107.08581	14.8
109.02863	17.1
109.06489	5.2
109.10143	12.7
111.04395	2.2
111.08070	8.3
113.05907	1.6
113.09560	1.4
115.03941	6.8
115.05502	1.2
117.06998	5.1
119.04880	2.1
119.08582	17.8
121.06499	14.5
121.10130	2.9
123.04417	4.4
123.08040	2.7
123.11670	4.6
127.03937	6.4
128.06184	1.5
131.08545	3.0
133.06464	3.3
133.10112	66.6
135.08037	2.2
135.11641	3.2
137.05952	3.0
137.09604	4.0
139.07512	5.0
142.07687	1.2
143.08517	9.2
145.06429	2.4
145.10109	2.3
147.08047	2.8
147.11684	1.9
151.11168	25.0
152.90237	1.3
157.10115	3.3
161.09604	36.7
161.13220	1.7
165.09122	1.2
171.07988	8.9
175.11174	1.6
179.10666	27.1
189.09079	26.8
197.11700	10.5
198.71782	1.5
207.10091	11.0
225.11176	40.9
226.11441	1.9
243.12248	9.0
253.19499	4.3
299.14859	100.0
299.19662	7.1
299.23389	2.3
299.26675	1.7
300.15280	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	298.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
54.11899	0.7
55.01869	0.9
55.05503	62.5
57.03419	1.7
59.86415	0.7
61.02910	2.9
67.05521	0.9
67.32204	0.6
69.03421	5.4
70.03747	0.9
70.06584	1.0
70.79849	2.1
71.04981	0.8
73.02900	1.3
73.06544	24.5
77.32316	0.7
81.03398	6.0
81.07047	0.7
82.03745	1.5
85.02892	23.3
87.04445	1.3
91.03913	0.8
97.02875	7.2
99.04417	1.3
101.06002	100.0
102.06367	1.1
109.02853	4.4
111.04464	0.7
112.03915	1.7
119.07039	77.8
120.07394	1.7
122.74712	0.7
127.03902	5.6
136.06175	1.3
137.02296	5.9
140.03409	2.4
143.03430	1.0
145.04979	4.1
146.17308	0.7
147.04309	0.7
153.01785	6.4
154.02176	6.4
199.28914	0.7
238.13869	1.1
242.85028	0.9
266.99805	0.9
298.06433	2.6
298.09796	1.3
298.12817	3.8
299.06055	2.8
300.06461	1.6
301.06250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02339	1.5
51.55073	1.3
53.03928	4.9
55.05500	14.4
57.03426	2.4
57.07066	49.1
59.04981	5.4
65.46294	1.4
66.75587	1.4
67.05162	2.3
67.05493	27.2
69.03088	1.8
69.03411	10.9
69.07055	76.3
70.62074	1.4
70.91083	3.4
71.04971	5.0
71.08620	51.2
79.01826	2.3
79.05476	11.2
81.03403	22.9
81.07043	100.0
82.75974	1.2
83.04961	3.5
83.08602	26.0
85.02878	1.6
85.06539	8.1
85.10153	4.2
85.95350	1.4
91.05451	5.9
92.61064	1.3
93.06458	2.4
93.07024	32.6
95.04954	10.2
95.08590	92.1
96.45713	1.4
97.02869	5.7
97.06525	8.1
97.10146	10.3
99.04435	3.3
99.08108	3.5
105.07021	8.4
107.01254	1.5
107.04934	2.5
107.08577	34.8
107.38042	1.3
107.94502	1.3
109.02841	10.6
109.06470	3.8
109.10137	42.1
111.08037	4.2
111.11695	11.4
113.09618	2.0
113.13271	4.0
117.07011	3.2
119.08566	5.1
121.06517	2.1
121.10120	21.2
123.08030	2.1
123.10800	3.0
123.11691	52.9
125.02341	3.5
125.09615	4.8
125.13259	4.6
127.03912	4.6
127.11140	1.5
129.06992	1.7
130.34663	1.4
131.08495	2.2
133.10098	3.4
135.04366	1.7
135.08098	2.3
135.11658	25.1
137.13226	17.6
139.11156	1.7
141.12708	3.8
143.03358	3.5
145.10089	4.6
147.11671	5.4
149.13245	23.1
151.11102	1.9
151.14830	6.6
153.01807	61.3
153.09052	1.7
153.12723	13.3
154.02144	1.8
155.14250	2.0
159.08041	2.0
159.11604	3.3
161.13312	2.4
163.14821	7.1
165.06969	1.9
165.12715	2.2
165.16360	2.7
166.07710	1.5
167.14291	1.8
169.15837	2.4
171.02911	2.9
171.13713	3.5
175.14749	3.2
176.98209	1.4
177.16380	5.0
183.17372	3.3
191.17908	4.5
193.19559	1.8
194.07280	4.1
195.11588	1.5
201.12717	1.6
205.06458	3.0
205.19579	4.5
211.07407	1.7
222.06717	4.2
237.09059	5.8
239.06978	2.3
250.06316	2.5
254.09225	1.5
261.18448	4.3
261.25705	16.7
265.08585	12.2
266.09442	2.4
269.11810	2.9
279.19632	4.5
279.23151	5.6
279.26782	21.3
282.08746	2.0
287.08871	1.5
297.05814	15.5
297.11090	23.7
297.18320	1.4
297.27762	7.0
298.11514	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0965
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
53.03932	0.3
57.03422	0.2
61.01147	4.8
65.99042	0.1
67.58604	0.1
69.03422	0.5
69.59020	0.8
70.03726	0.2
75.02696	2.5
75.60937	0.1
81.03402	1.1
81.07034	0.2
82.03749	0.5
84.04472	0.1
84.15298	0.1
85.02905	0.3
87.04462	0.2
94.04041	0.3
97.02881	1.8
98.03187	0.1
99.04467	0.2
99.90575	0.1
103.02186	0.3
109.02885	0.6
110.03210	0.2
115.03912	0.1
119.03533	0.5
127.03911	0.3
135.04417	0.2
136.06172	100.0
137.02344	0.4
137.04543	0.3
137.06662	1.1
143.03317	0.1
145.03165	1.5
153.01819	1.5
154.02129	1.4
163.04210	1.3
168.06602	0.1
178.04988	0.1
195.11606	0.1
298.06329	0.7
298.09613	5.0
298.13043	0.3
298.16486	0.2
299.06195	0.1
299.09482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01858	1.0
55.05511	0.6
56.96555	5.9
57.03424	2.5
58.71040	0.6
59.04979	0.6
61.02915	2.3
62.04623	0.6
65.03925	0.9
67.05484	1.2
67.12150	0.6
69.03419	5.4
69.07039	1.0
69.31922	0.5
70.39873	2.8
71.04970	1.6
73.02901	2.1
73.79685	0.7
78.77911	0.5
79.01842	1.2
79.05470	1.3
81.03400	4.9
81.07042	1.5
83.04972	1.2
83.08562	0.7
84.96006	0.8
85.02895	9.1
86.03189	0.6
87.04464	0.9
91.03931	1.2
91.05450	4.7
93.07015	1.5
94.04175	0.9
95.04944	0.6
95.08572	1.0
97.02876	6.5
98.97568	13.6
99.04444	1.7
99.08076	1.7
100.02488	0.9
101.00870	2.6
102.96858	0.7
105.07021	0.9
107.04919	1.4
107.08590	0.8
109.02840	2.6
109.10212	0.6
110.97553	1.2
115.02418	0.6
116.98610	12.1
117.03957	1.3
117.09084	0.6
117.14423	0.7
119.01905	28.4
119.04935	10.1
120.02039	1.0
121.06499	4.1
122.03654	4.5
122.05985	0.6
123.04387	0.7
123.07953	0.9
125.02317	0.9
127.02377	0.7
127.03913	4.2
127.04743	0.9
128.98576	2.6
131.01877	3.5
133.02655	0.7
133.03497	1.2
133.10242	0.6
134.05995	1.4
134.99635	10.9
135.04411	0.6
136.06197	0.8
136.07574	3.7
137.02971	17.2
137.05956	100.0
138.06308	1.7
142.03459	1.1
143.01909	2.3
143.03435	1.4
145.03429	1.7
145.04935	1.6
146.99635	2.0
147.01372	0.8
147.04372	25.5
149.02924	1.8
149.05966	3.9
151.07590	0.7
153.00667	2.1
153.01793	22.9
153.02762	1.0
154.02077	1.2
154.08603	1.4
155.01947	0.9
157.03523	0.9
158.06662	0.8
158.99658	2.4
160.02121	0.6
160.04591	0.7
160.56825	0.6
161.02907	2.2
161.06599	0.9
163.02744	0.7
164.07045	22.3
165.05556	0.7
167.07091	0.8
168.05060	0.8
169.03432	1.3
170.05002	0.9
171.01431	1.2
171.02707	0.7
173.03009	1.4
175.04500	0.7
177.00746	3.9
177.04173	2.0
177.81992	0.6
179.07031	5.9
180.02748	0.8
181.03490	4.7
182.04082	0.8
184.04535	1.2
185.03008	1.0
187.02921	0.7
187.04517	1.5
189.00714	2.0
189.02252	1.0
189.03757	0.9
190.95331	1.2
192.02632	0.7
195.05009	9.1
197.02881	1.3
199.04555	2.7
200.05258	1.0
203.03979	1.0
204.02618	1.4
205.03557	0.8
207.01695	1.9
207.05072	1.3
209.02983	0.9
210.03703	10.5
213.06013	1.3
215.00420	1.3
215.03970	1.5
215.10143	0.7
216.07974	0.7
219.01817	2.0
219.04993	14.8
220.02115	1.3
220.05325	0.7
221.05020	1.3
222.03612	3.0
223.04439	3.4
224.05249	1.4
225.06001	0.9
228.04759	8.4
232.96233	1.2
233.01428	2.6
234.03700	3.4
234.99699	0.9
236.05243	1.1
237.02782	2.2
237.06044	30.8
238.06218	1.1
240.04848	1.1
241.05487	1.9
247.04488	2.8
249.06017	8.4
250.97232	1.0
251.02385	5.7
251.07658	0.9
252.04773	7.5
254.06192	0.8
255.03906	1.6
256.06845	0.9
260.07501	1.3
261.06036	1.7
264.04837	0.9
265.05472	2.8
267.07114	41.7
268.07504	1.5
268.10910	0.7
270.05832	7.3
273.97333	0.7
274.03763	1.3
274.97394	7.6
279.03870	2.5
279.07056	8.7
279.09723	7.6
279.23108	0.8
280.07108	0.8
283.03009	0.8
290.08701	2.0
291.98285	1.1
292.98474	7.0
293.03452	6.8
297.05130	4.3
297.08112	55.3
297.10828	5.6
298.08264	1.4
299.06116	2.1
315.09320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
51.30664	0.2
53.03944	3.9
55.01864	0.5
55.05501	0.4
57.03429	0.4
57.07066	0.2
67.05494	0.5
68.99803	0.2
69.03423	7.9
69.07051	0.2
70.22117	0.8
71.04987	1.6
73.02930	0.3
79.01843	4.1
79.05491	0.5
81.03408	35.2
81.07025	0.6
82.03733	0.4
82.07385	0.2
83.04951	0.2
83.08611	0.3
85.02899	1.4
85.70925	0.2
87.00798	0.2
87.04476	0.3
89.03944	0.2
91.05448	0.4
93.07038	0.5
95.04932	0.2
95.08598	0.4
97.02879	6.6
97.03509	0.3
97.06522	0.3
99.04433	2.8
105.07013	0.3
107.01317	1.8
107.04933	0.3
107.08590	0.5
108.04458	0.3
109.02866	15.4
109.06535	0.3
109.10161	0.3
110.03212	0.2
111.04450	0.4
123.04457	0.2
124.07633	0.2
125.02344	4.3
125.03255	0.3
127.03905	6.3
131.04932	0.2
133.10112	0.2
135.04408	2.1
135.05440	0.3
135.08049	0.3
136.06181	0.6
137.05995	0.2
143.03377	7.9
145.04950	0.2
147.04442	0.4
149.13155	0.2
153.01810	100.0
153.02747	4.5
154.02135	1.3
159.04396	0.4
162.81204	0.2
163.03886	0.3
170.02100	0.3
171.01390	0.3
171.02855	4.2
171.04227	0.4
179.03293	0.4
181.01295	0.6
191.03339	0.4
195.02911	0.2
205.04955	0.6
207.02882	0.6
219.06700	0.2
233.04417	0.6
233.85954	0.2
237.04042	0.3
261.03839	0.3
261.56174	0.2
265.08633	0.4
266.99979	0.3
270.06555	0.2
297.06012	28.2
298.06552	0.3
299.06171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2262
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03939	3.0
55.01868	14.5
55.05501	50.8
55.55362	2.0
57.03425	5.1
57.07052	9.0
65.03928	2.7
67.05491	82.7
67.16328	2.2
69.03400	4.2
69.07056	32.1
71.04986	5.2
71.08623	31.5
79.05486	47.6
80.26925	2.1
81.03402	14.9
81.07041	71.5
82.07358	2.6
83.04962	13.4
83.08610	30.4
85.02885	2.9
85.06519	5.6
85.10208	2.1
90.52380	2.3
91.05465	27.4
93.07030	52.6
95.04957	13.0
95.08590	44.5
97.06516	10.8
97.10160	23.5
99.08085	25.4
105.07011	26.7
107.04955	3.5
107.08575	34.4
107.39501	2.4
109.06486	5.2
109.10143	29.3
111.08064	20.2
113.09650	3.6
116.23611	2.5
117.07008	7.2
119.08549	19.9
121.06525	2.4
121.10130	21.2
123.08054	2.8
123.11662	9.4
125.09605	15.6
129.06989	7.2
131.08524	7.3
131.09470	2.2
133.10115	20.5
135.08054	6.7
135.11684	17.2
137.09584	5.0
137.13210	4.0
138.25792	2.2
139.11125	7.6
143.08566	3.5
145.10092	6.6
147.11682	12.3
149.09581	5.1
149.13235	15.3
151.11163	23.8
153.09032	2.6
153.12723	3.2
157.10152	4.8
159.11617	6.3
161.13229	16.3
163.11156	8.5
163.14803	4.4
165.12729	7.5
171.11745	3.7
173.13246	6.4
175.11122	3.6
175.14771	5.6
177.12706	5.0
179.14270	8.6
185.13234	3.8
189.11211	16.6
195.13794	4.4
207.13770	2.6
221.15358	3.3
231.21094	3.3
241.19489	6.0
249.22139	5.4
259.20544	11.3
260.95200	2.6
277.21582	100.0
278.21680	3.5
295.19696	2.7
295.22650	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	295.2263
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03934	5.3
55.01861	8.0
55.05507	42.4
57.03431	4.4
57.07064	14.3
67.05491	77.8
69.03407	7.6
69.07060	34.1
69.29288	6.0
69.29693	22.4
70.18198	2.3
71.04987	5.0
71.08616	40.2
79.05469	37.8
81.03413	16.1
81.07044	59.1
83.04957	14.3
83.08606	27.9
85.02882	4.4
85.06529	5.8
85.10198	3.5
86.09690	5.1
86.45411	2.7
86.80306	2.7
91.05469	24.7
93.07027	47.8
93.07608	2.5
95.04937	14.2
95.08586	36.4
97.02847	3.9
97.06516	9.4
97.10161	22.1
99.04487	3.1
99.08078	40.5
102.77039	2.3
104.10745	13.4
105.07001	23.0
107.04913	5.2
107.08577	35.6
109.06490	8.6
109.10133	29.5
111.08049	6.2
113.09597	5.2
117.07005	9.8
119.08571	23.0
121.10112	17.9
123.08050	7.9
123.11694	6.7
125.09609	25.4
127.11198	3.3
129.06987	3.6
131.08551	6.9
133.06468	35.4
133.10141	15.5
135.07980	5.6
135.11665	21.0
137.05870	2.6
137.09573	5.6
143.08600	4.2
145.10149	8.9
147.11668	13.0
149.09558	3.9
149.13255	11.4
151.11157	36.5
157.10114	5.1
159.11722	4.6
161.09624	3.1
161.13246	20.7
163.11179	16.2
163.14832	3.6
165.12727	8.3
171.11606	6.2
173.11868	3.4
173.13210	5.9
175.14784	8.0
177.12804	4.2
177.16310	2.8
179.14290	19.6
183.11819	2.6
184.07295	9.4
185.13281	4.0
189.11215	19.8
189.12724	4.7
199.14813	3.9
207.13890	3.5
231.21088	4.6
235.16708	2.8
241.19534	8.7
246.80069	2.7
249.18256	2.5
249.22026	2.8
259.20590	14.9
263.09018	2.9
277.21594	100.0
295.19708	5.9
295.22653	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.81924	0.9
53.03941	11.5
55.01853	4.1
55.05499	18.4
57.03403	1.4
57.07055	4.2
64.35873	0.9
67.05496	36.9
67.94277	0.8
69.03411	1.6
69.07061	30.1
71.04958	1.6
71.08612	3.8
79.05482	26.7
81.03407	53.6
81.06571	2.0
81.07047	36.5
83.04977	12.3
83.08609	7.2
85.06529	2.2
85.10165	2.0
89.36146	1.0
91.05468	16.1
93.06458	1.9
93.07029	30.0
95.04957	28.3
95.08588	15.0
95.48959	0.9
97.06470	1.6
97.10157	6.1
99.08078	3.1
105.07019	15.0
107.04925	1.6
107.08582	18.4
109.06474	7.0
109.10143	13.9
111.08065	3.3
113.09596	1.9
117.06979	3.5
119.08564	10.5
121.06523	1.2
121.10111	6.8
123.08082	1.5
123.11689	6.6
125.09621	7.3
129.07005	1.7
131.08545	2.9
133.10101	13.6
135.08012	4.1
135.11726	6.1
137.09538	2.0
137.13223	2.3
143.08519	2.3
145.10078	1.7
147.08020	1.5
147.11674	12.1
149.09595	1.5
149.13266	6.7
151.11163	34.6
153.09108	4.5
157.10081	3.1
159.11655	2.0
161.09644	1.4
161.13237	8.8
163.11145	1.3
163.14790	3.8
165.09067	1.3
165.12743	7.9
171.10158	1.7
171.11650	3.4
173.13242	2.0
175.11139	2.0
175.14769	4.8
177.12724	1.4
179.14331	4.9
185.13283	2.8
189.11162	1.5
189.12689	2.2
193.12201	1.7
199.14818	1.4
207.13777	3.8
217.19502	2.8
221.15269	1.6
231.21065	8.7
241.19490	5.6
249.22078	3.5
259.20523	9.2
277.21591	100.0
278.22043	1.2
295.23523	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03935	2.3
55.01862	4.3
55.05502	21.4
57.03426	4.7
57.07067	5.9
65.03911	1.8
67.05494	56.8
69.03409	2.0
69.07053	20.3
69.93787	4.8
71.04981	3.8
71.08619	41.7
79.05479	40.9
79.29351	1.0
81.03400	9.1
81.07043	54.8
83.04969	11.7
83.08605	14.4
85.02895	1.3
85.06546	5.0
91.05466	28.3
92.96388	1.1
93.07028	61.5
95.04950	12.3
95.08588	40.7
97.06513	7.9
97.10154	11.1
98.21439	1.2
99.08078	31.6
105.07010	19.4
107.04904	5.6
107.08575	37.1
109.06510	4.2
109.10134	20.7
111.08057	1.8
113.09637	2.9
117.07015	4.3
119.08572	14.8
121.06469	1.4
121.10125	33.1
121.11954	1.2
123.08060	1.9
123.11691	4.1
125.09593	5.9
127.11204	2.4
129.06972	2.3
131.08546	5.4
133.10101	11.6
135.11665	34.9
137.09567	6.5
137.13161	1.5
139.11201	1.5
141.09094	3.5
141.12796	1.4
141.59953	1.2
143.08546	3.6
145.10089	4.6
147.07971	1.6
147.11662	7.2
149.09624	1.4
149.13232	12.2
151.11163	15.9
153.12732	3.4
159.11681	3.7
161.13228	12.6
163.11145	6.6
163.14792	3.6
167.10713	2.2
171.11664	2.5
173.13257	1.9
175.11095	1.6
175.14774	2.8
177.12735	3.9
179.14282	100.0
180.14682	2.0
185.13222	1.4
189.11206	2.6
189.12733	2.9
193.12355	1.5
195.13799	1.4
199.14781	3.4
207.13687	2.0
221.15352	2.7
231.17496	1.9
231.21112	2.0
234.84200	1.1
235.16891	4.7
238.79169	1.2
241.19362	2.2
259.20572	5.4
277.21585	62.4
278.22092	2.7
295.22867	5.3
310.70593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.6
55.05487	2.0
57.03424	0.9
57.07051	0.8
60.83282	0.4
63.24760	0.5
67.05495	3.5
69.03408	1.0
69.07063	3.1
69.28092	5.6
71.04964	1.0
79.05473	1.9
81.07049	6.6
83.08602	1.1
85.02872	0.6
85.06541	0.7
91.05473	5.9
91.70071	0.5
93.07009	3.0
95.05014	0.7
95.08600	5.0
97.06488	0.9
97.10152	0.8
99.08072	1.1
103.05470	2.4
105.07005	3.7
107.08555	2.1
109.02858	0.7
109.10146	2.7
111.11665	0.8
115.03934	0.5
115.05434	4.3
116.06214	2.3
117.06998	7.7
119.08549	1.8
121.10092	2.1
123.08044	0.6
123.11667	1.9
125.09623	0.9
128.06181	4.4
129.06981	10.4
130.04109	0.7
130.07751	2.3
131.04944	2.8
131.08548	7.5
133.06430	1.1
133.10089	1.2
135.08002	0.8
135.11655	1.5
141.06943	2.6
142.29820	0.6
143.04880	1.2
143.08556	1.9
144.05676	6.9
145.06465	13.8
145.10109	2.6
146.07251	1.2
147.04344	0.6
147.07993	0.9
147.11641	1.9
149.09546	0.5
149.13216	0.7
155.04866	2.7
155.06029	1.5
155.08572	0.8
156.05655	5.7
157.06471	14.0
158.07262	8.2
159.04382	0.7
159.08028	10.5
160.05119	0.9
161.05887	1.8
163.14717	0.7
165.12759	0.7
167.10635	2.0
169.07623	1.3
170.03621	0.7
171.04396	1.1
172.05136	1.8
173.05966	12.4
173.09592	1.8
174.06718	4.7
174.43741	0.5
175.03818	0.5
175.07492	2.7
176.04570	0.5
179.06894	0.5
183.04376	0.6
184.05185	2.3
185.05940	16.2
186.06711	3.3
187.03847	0.7
187.07504	7.0
188.04605	1.0
189.05449	2.4
189.09070	3.2
190.06230	2.1
191.07051	2.5
201.05379	1.0
201.09116	0.8
202.06216	5.9
203.06999	10.5
204.07758	8.9
205.04869	0.6
205.08505	1.2
207.08113	0.7
212.04668	0.8
213.05405	6.3
217.08565	30.4
218.05667	1.4
218.09283	3.8
219.06570	1.1
219.10043	0.9
230.05675	2.1
231.06485	4.9
233.08049	6.2
235.05910	5.8
245.08031	16.2
245.10358	1.1
248.06747	1.3
259.23969	0.6
262.08331	0.7
263.09106	100.0
264.09445	4.9
277.10684	21.7
277.13702	0.9
277.17371	0.6
277.21637	1.1
277.25061	1.0
278.10953	1.5
295.09152	1.0
295.12161	0.9
295.19794	0.6
295.23022	0.8
295.26584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.206
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.87450	0.2
55.01858	0.3
55.05503	0.3
57.07053	0.6
67.05488	1.0
69.07042	0.4
70.87463	0.5
71.08618	0.2
79.05471	0.9
81.07043	2.3
81.91169	0.2
81.97916	0.2
82.07391	0.2
88.65337	0.2
91.05455	0.7
93.07034	0.2
94.04161	1.5
94.07350	0.2
95.04968	0.2
95.08593	0.4
97.06539	0.3
100.59650	0.2
102.09133	0.3
105.07023	0.4
106.07368	0.2
107.04950	0.4
107.08578	0.3
108.08943	0.4
109.06494	0.2
114.09190	0.2
118.07289	0.2
121.10186	0.2
122.03637	5.5
123.11697	1.5
137.05960	100.0
138.06291	1.7
141.12755	0.4
155.74400	0.2
158.15396	1.2
170.15388	2.6
222.08427	0.5
271.06323	0.2
276.20392	1.4
294.20856	0.5
295.18631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09503	0.1
55.01855	0.3
55.05490	0.4
57.07056	0.5
66.04700	0.2
67.05466	0.8
69.07058	0.3
69.59811	0.2
71.04997	0.2
71.07064	0.4
71.08599	0.2
79.05470	0.6
81.07051	1.6
83.08607	0.2
91.05463	0.7
92.05759	0.2
93.07050	0.2
94.04176	1.2
95.04935	0.2
96.08963	0.1
97.06538	0.3
97.10151	0.3
106.07342	0.2
107.04919	0.2
107.08585	0.6
108.08912	0.5
109.06504	0.3
110.35697	0.2
114.36588	0.2
114.54375	0.2
121.10092	0.2
122.03631	5.0
123.11675	1.7
135.04343	0.2
137.05956	100.0
138.06293	1.7
139.11148	0.2
141.12744	0.2
158.15390	1.5
170.15370	2.9
189.11314	0.2
190.11607	0.2
222.08394	0.3
276.20328	1.2
294.21152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04863	1.0
54.70908	1.2
55.05508	19.4
57.03430	1.2
57.06815	1.4
57.07069	18.4
59.04982	1.2
67.05497	26.4
69.07061	48.4
69.39718	1.1
70.03227	4.9
71.04984	1.2
71.08628	6.2
71.08942	0.9
77.05418	1.0
79.05484	9.4
81.07047	90.0
83.08137	1.8
83.08611	32.5
85.06143	1.3
85.06536	13.4
85.10162	3.0
91.05464	2.8
93.07030	15.4
95.08595	100.0
96.08913	1.4
97.06502	2.0
97.10156	15.7
99.08083	10.4
105.06993	2.1
107.08582	18.5
109.06542	1.4
109.10146	56.6
110.10432	1.4
111.08063	7.0
111.11703	12.6
113.09589	1.5
119.08553	1.9
121.10120	9.6
123.10800	2.1
123.11688	36.4
125.09582	3.2
125.13272	6.4
135.11682	9.4
137.13242	45.8
139.11070	1.6
139.14815	2.0
149.13232	18.8
151.14798	6.8
153.12741	2.5
155.98270	1.2
163.14807	5.1
165.16319	3.9
167.14304	8.9
169.15923	1.3
177.16341	1.7
179.17882	4.0
191.17953	3.0
193.19476	2.9
196.21107	1.2
201.04591	1.5
205.19487	2.6
207.20941	1.6
223.20595	1.7
237.22270	1.4
249.25829	2.6
275.27304	8.9
293.24960	2.8
293.28339	59.3
294.28659	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2833
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
55.05501	25.1
57.07069	19.0
67.05166	2.0
67.05495	28.1
69.07060	56.0
71.04987	2.0
71.08625	10.2
71.29243	3.2
79.05466	7.7
81.07047	100.0
82.07342	1.2
83.08131	2.3
83.08607	39.2
85.06534	13.4
85.10133	2.8
91.05451	2.8
93.07028	24.6
94.31054	1.0
95.08596	98.7
95.27032	1.2
96.08903	1.4
97.06525	3.2
97.10161	20.5
99.08089	9.2
105.06975	1.6
107.08583	30.5
109.10141	58.3
111.08056	8.8
111.11688	12.2
113.09637	1.7
121.10121	14.5
123.11690	48.4
125.09601	3.1
125.13255	5.6
127.11159	2.3
135.11685	10.5
137.13237	42.1
139.11160	3.1
139.14771	1.5
149.13242	31.3
151.14763	7.9
153.12741	3.6
159.11642	1.4
163.14793	9.5
165.16344	5.7
167.14297	17.1
176.22897	1.1
177.16389	3.0
179.17957	4.2
193.19495	3.3
205.19510	2.7
219.21049	3.0
237.22127	1.3
249.25693	4.1
275.27322	9.8
283.47647	1.3
293.21307	2.2
293.28329	67.8
294.28729	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67298	1.1
53.03931	1.7
55.01851	1.8
55.05504	19.6
57.03443	1.7
57.07068	14.5
58.70193	1.1
59.04978	1.4
67.05495	32.1
69.03419	1.7
69.07062	49.9
70.07373	3.4
70.16354	1.3
70.25749	2.4
70.26163	3.0
70.42528	1.0
71.04967	2.5
71.08611	4.1
79.05479	9.1
81.07047	89.4
82.07381	3.2
83.04974	1.9
83.08132	2.0
83.08606	33.0
84.08972	1.4
85.06528	11.7
85.10194	1.4
86.91740	1.0
91.05470	4.0
93.07032	16.5
94.07350	1.8
95.04962	2.6
95.08594	100.0
96.08914	3.5
97.06528	3.0
97.10161	17.0
98.97569	1.1
99.08081	9.4
105.07026	4.3
107.08583	18.0
109.06495	1.7
109.10146	64.2
110.10511	2.8
111.08038	4.3
111.11708	13.3
113.09599	2.2
117.06967	1.7
119.08551	3.4
121.10127	11.5
123.08080	1.5
123.10802	2.2
123.11687	34.5
124.12004	2.4
125.09602	3.7
125.13226	6.8
130.30295	1.0
131.04816	2.0
131.08556	2.2
133.10120	2.3
133.12283	1.1
135.11665	8.7
137.09579	1.4
137.13243	36.8
139.11171	1.3
139.14787	1.5
141.12743	1.4
142.64716	1.0
145.10101	1.5
145.46623	1.1
147.11725	2.0
149.09587	1.4
149.13249	16.5
151.07475	1.5
151.14806	7.5
153.12694	2.5
159.11745	1.5
161.13202	1.7
163.14845	5.7
163.59132	1.2
165.12703	1.1
165.16426	5.2
167.14317	3.8
173.13255	1.6
177.16373	3.0
179.17943	3.7
183.17342	1.6
191.17896	1.8
193.19447	2.0
201.05562	1.1
203.07047	1.4
205.19563	2.4
219.21120	1.8
221.08086	3.8
233.08028	1.9
237.22105	1.5
273.15219	1.5
275.12814	5.2
275.19998	5.1
275.27298	7.7
293.17575	1.9
293.21164	4.5
293.24924	2.2
293.28308	58.1
294.17010	1.9
294.28510	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2469
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03949	1.1
55.05502	8.8
55.70308	0.8
57.07053	2.9
57.33882	0.8
57.52069	0.9
58.22607	0.9
65.03927	2.8
67.05497	91.8
69.07061	12.7
71.08651	1.3
79.05483	14.3
81.07047	100.0
83.04972	1.6
83.08607	7.0
85.06528	2.5
91.05466	6.1
93.07034	14.4
95.04957	1.6
95.08595	87.3
97.06510	3.3
97.10148	4.0
99.08061	1.3
105.07018	5.6
105.76046	0.8
107.08580	13.5
109.06516	1.9
109.10142	38.4
111.08064	1.6
111.41387	0.8
113.09594	1.6
117.06979	2.5
119.08559	6.0
121.10124	10.5
122.22179	0.8
123.08064	2.9
123.11699	19.5
124.80910	0.7
125.09560	1.4
131.08551	6.5
133.10094	6.4
135.08066	1.5
135.11705	7.0
137.09596	3.0
137.13228	12.5
139.11153	1.2
141.09100	0.9
145.10069	4.9
147.11700	4.0
149.09583	3.0
149.13199	4.3
151.11186	2.5
151.14804	6.6
159.11697	4.5
161.13243	2.7
163.11133	3.3
163.14822	4.4
165.12723	2.4
165.16418	1.1
167.10645	1.1
169.10043	1.1
169.12270	0.9
173.13260	8.2
175.14775	1.7
177.12726	4.3
177.16353	2.3
179.14317	2.1
183.11745	1.0
187.14777	3.9
191.14246	2.6
193.15958	0.9
195.13731	0.8
201.16409	1.5
205.15828	1.8
209.11433	0.9
209.15457	1.0
219.21158	1.7
223.16956	2.4
237.11179	1.9
237.18474	1.9
243.21083	9.6
258.69211	0.9
261.22162	11.3
275.20026	5.1
293.21625	2.2
293.24756	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	2.6
53.45052	0.7
55.01854	5.6
55.05503	21.9
57.03428	2.3
57.07066	12.3
59.05003	0.9
65.03928	1.5
67.05495	38.1
69.03407	2.2
69.07057	40.1
69.74455	5.0
71.05001	3.8
71.08617	3.7
79.05483	25.2
81.03411	3.3
81.07044	100.0
82.07378	0.9
83.04971	4.4
83.08606	23.7
85.02896	0.9
85.06531	8.6
85.10168	1.6
91.05463	18.3
93.07028	26.7
93.07618	1.3
95.04967	7.4
95.08592	77.2
96.08959	1.2
97.06519	7.2
97.10157	14.1
98.20731	1.3
98.98433	0.9
99.04436	0.9
99.08070	8.6
101.09592	0.7
103.05442	1.1
105.07012	20.0
107.04943	4.5
107.08577	23.6
109.02855	0.8
109.06506	20.7
109.10140	47.3
111.08099	4.3
111.11700	7.7
113.09625	2.0
117.06970	4.7
119.07777	1.3
119.08562	15.8
121.06504	3.2
121.10129	16.1
123.08067	5.3
123.11691	25.5
125.06012	0.8
125.09598	4.9
125.13258	5.1
127.11188	0.8
129.06952	1.6
131.04869	2.6
131.08557	8.6
133.10114	15.5
135.08009	3.3
135.11662	10.7
137.09612	4.3
137.13234	18.5
138.71490	0.8
139.11162	2.2
143.08525	2.0
145.10088	6.8
147.07999	2.3
147.11641	9.6
149.09587	6.7
149.13232	10.5
151.07521	1.3
151.11159	5.2
151.14793	5.9
153.12677	1.9
155.08514	2.1
157.10138	2.8
159.08046	0.9
159.11671	8.0
161.09587	1.3
161.13211	3.6
163.11165	6.2
163.14839	5.1
165.09071	1.6
165.12721	2.1
165.16344	3.4
167.14294	1.1
169.10095	2.1
169.15851	1.1
171.11649	2.5
173.09521	1.4
173.13277	5.1
175.11165	2.7
175.14796	1.4
177.12677	2.2
177.16333	2.6
179.14189	1.1
179.17911	2.6
183.11679	2.2
185.13213	1.1
187.11128	1.7
187.14796	1.8
189.12692	1.5
189.16315	1.7
191.10635	0.9
191.17926	1.7
193.12195	1.9
193.19493	1.3
194.12476	0.9
197.13275	1.4
201.12746	1.0
201.16412	1.0
205.12285	1.1
205.15854	1.1
205.19499	1.6
207.13864	1.3
213.16397	0.8
217.15779	1.1
219.13681	1.0
219.21037	1.7
223.13277	1.4
229.15889	1.2
229.19450	3.3
233.15289	0.9
233.18854	1.4
239.17914	3.7
247.20566	5.4
257.18967	7.8
265.21567	1.0
275.20016	61.8
275.27133	4.2
276.20255	2.3
293.11298	0.8
293.17880	1.9
293.21103	21.2
293.28308	30.4
294.21466	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03938	26.1
55.01862	17.3
55.05507	23.8
57.07072	3.9
65.03932	3.0
67.05495	54.1
69.03407	2.8
69.07061	36.6
69.54524	16.8
69.61523	2.1
71.04983	5.7
77.03909	2.4
79.05482	44.5
81.03410	56.1
81.06575	4.8
81.07047	94.5
82.07367	2.0
83.04967	13.9
83.08611	11.5
85.06542	5.3
91.05472	53.6
93.07031	49.1
95.01312	13.9
95.04966	20.8
95.08038	3.7
95.08596	47.3
97.06510	27.4
97.10156	3.9
105.07016	98.8
107.04946	26.3
107.08581	21.3
109.06507	6.0
109.10117	9.7
111.08056	4.0
115.05454	3.2
117.07000	18.5
119.08574	49.4
121.06483	6.9
121.10123	10.0
123.04398	3.2
123.08067	16.1
123.11708	6.4
129.06973	3.8
131.08548	29.9
133.06483	4.2
133.10117	59.2
135.08098	4.1
135.11676	19.1
137.05908	2.2
139.07468	2.7
141.06963	4.3
143.08577	4.2
145.06520	5.5
145.10092	22.4
147.11662	25.1
149.09595	8.3
149.13249	7.2
151.11168	2.4
157.10086	5.7
159.08000	3.9
159.11664	17.8
161.09573	2.5
161.13214	7.5
163.11159	5.4
165.09044	3.4
169.10078	5.7
169.28975	2.4
171.11681	2.2
177.12741	10.7
179.14290	20.0
183.11650	4.2
187.11137	12.0
195.13731	6.2
197.13112	2.8
205.12178	3.6
223.13148	3.5
229.19511	2.4
237.11134	2.8
241.14287	7.8
247.20381	3.2
257.19138	10.9
275.20035	100.0
276.20364	4.1
293.21027	22.4
296.06848	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	4.1
55.01864	7.6
55.05505	19.8
57.03422	3.0
57.07055	3.3
65.33385	1.3
67.05500	41.1
69.03423	2.0
69.07059	22.6
69.57056	10.5
71.04990	3.1
79.05482	44.0
81.03420	5.1
81.07047	100.0
82.07386	1.6
83.04974	5.1
83.08614	14.6
85.06561	4.4
91.05470	27.1
93.07032	28.8
95.04957	13.6
95.08598	33.9
97.06526	8.6
97.10160	5.6
99.08051	2.7
105.07016	32.7
107.04934	7.9
107.08581	27.9
109.06506	25.6
109.10143	18.2
111.08067	5.1
117.07008	8.9
119.08565	34.1
121.06474	3.9
121.10123	16.0
123.08053	12.7
123.11694	8.8
125.09620	5.2
127.07553	2.0
129.06973	2.7
131.08563	14.4
133.06474	2.4
133.10118	25.6
133.65276	1.3
135.08029	7.6
135.11681	7.8
137.05969	20.3
137.09583	8.0
137.13254	1.8
139.11235	1.6
143.08551	2.7
145.10123	12.1
147.11668	20.3
149.09590	11.5
149.13254	6.2
151.11176	4.6
157.10121	4.7
159.08025	1.7
159.11650	9.9
161.09665	2.5
161.13286	3.5
163.11130	10.5
163.14819	2.2
165.12738	2.8
169.10110	1.9
171.11710	3.8
173.13225	6.6
175.11221	1.8
175.14934	1.6
177.12746	2.6
187.11292	2.0
187.14812	3.6
189.11269	2.0
195.13899	1.6
197.13268	2.1
201.12714	2.2
215.14410	1.7
219.17311	1.9
229.19469	3.4
239.17978	4.8
247.20596	6.4
257.18915	10.0
266.30960	1.6
271.28293	1.5
275.20032	83.4
276.20407	2.0
281.23840	1.3
293.21057	41.8
293.24252	2.8
293.28180	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.07878	0.8
53.03923	2.6
55.01862	11.1
55.05260	1.4
55.05504	23.3
57.03421	2.8
57.07068	7.3
59.04981	1.1
65.03925	1.4
67.05495	39.6
69.03413	4.3
69.07059	40.4
69.88979	2.5
69.89396	2.6
71.04975	3.3
71.08624	2.7
79.05482	32.3
79.91035	0.9
81.03409	7.3
81.07046	70.5
82.07366	1.4
83.04946	4.8
83.08128	1.6
83.08608	21.5
85.02893	1.0
85.06527	6.8
91.05463	23.4
91.06002	1.7
93.07032	31.7
95.04941	9.4
95.08592	47.3
97.05905	1.1
97.06519	16.6
97.10168	14.3
98.06020	0.8
98.20815	1.1
98.98444	1.0
99.04421	1.2
99.08096	4.4
101.50693	0.9
103.05455	1.4
105.07018	26.5
107.04934	8.2
107.08580	44.0
108.08917	1.1
109.06487	12.4
109.10138	28.5
111.08073	5.6
111.11707	4.3
113.09610	1.4
115.05456	1.1
117.06987	7.4
119.04933	1.1
119.08565	22.5
120.08880	1.1
121.06509	5.1
121.10132	17.2
123.04374	1.1
123.08064	6.8
123.11676	15.1
125.09603	9.7
127.07375	1.1
129.06958	2.7
130.07782	1.2
131.04898	3.9
131.08563	11.4
133.06493	2.5
133.10109	19.0
135.08035	6.0
135.11671	12.7
137.09599	5.7
137.13211	6.6
139.11179	3.2
141.06952	1.4
143.08539	2.7
145.06435	1.4
145.10103	12.1
145.12456	1.0
147.08047	2.2
147.11676	15.2
147.47719	0.8
149.09610	14.9
149.13269	10.5
151.07520	1.8
151.10077	1.1
151.11168	7.9
151.14781	2.2
153.05455	0.9
153.12717	1.6
155.08435	1.0
155.10681	1.4
157.10059	2.5
159.08107	1.4
159.11694	10.7
161.09641	2.1
161.13234	5.3
163.11150	8.0
163.14818	3.9
165.09052	4.3
165.12753	3.5
167.10559	1.1
167.14229	1.4
169.10081	2.0
171.11665	3.4
173.09584	1.3
173.13301	5.7
175.11166	2.5
177.12741	4.0
177.16298	1.6
179.14232	2.4
179.17743	1.4
181.12303	1.0
183.11612	2.6
187.11201	2.6
187.14896	1.8
189.11217	6.0
189.12704	1.9
189.16417	1.4
191.14265	1.8
193.12225	2.0
195.13713	0.9
197.13269	2.6
201.12737	1.1
201.16505	1.6
205.19313	0.9
211.14885	1.3
215.14301	1.5
215.17862	2.1
219.17297	1.2
219.21016	1.8
223.13216	1.7
229.08685	1.0
229.16020	1.1
229.19434	4.4
233.09700	1.0
233.15372	1.1
239.17963	4.3
247.16991	1.0
247.20648	5.9
249.18343	1.0
250.06268	1.0
257.19000	12.8
275.20023	100.0
275.27420	2.7
276.20352	4.0
290.07352	1.0
292.57874	1.2
293.07935	1.1
293.17734	1.6
293.21082	33.4
293.24664	2.3
293.28247	25.4
294.21207	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03939	5.2
55.01865	14.0
55.05503	57.7
57.03428	3.2
57.07064	3.4
59.04998	2.4
59.53955	1.2
65.03937	1.9
67.05495	46.4
68.44807	1.1
69.03415	4.4
69.07059	17.3
71.04979	4.1
79.05483	82.0
80.05813	1.6
81.03405	6.6
81.07047	39.6
83.04972	22.3
83.08603	20.3
85.06515	3.1
91.05472	32.5
93.07032	45.3
95.04951	9.3
95.08598	16.2
97.06526	11.6
97.10159	28.9
101.05988	1.4
105.07022	39.2
107.04943	41.7
107.08578	64.7
109.06499	4.7
109.10147	21.4
111.08087	4.0
115.05463	1.3
117.07008	10.3
119.08571	28.4
121.06503	3.2
121.10115	19.6
123.08091	2.2
123.11710	8.2
125.06015	1.5
125.09616	27.8
129.06964	1.6
131.08553	15.1
133.10118	24.4
135.08043	9.8
135.11697	4.7
143.08534	2.1
145.10110	10.4
147.11664	18.7
149.09601	76.1
149.13301	2.6
150.09950	2.6
151.07573	1.7
151.11143	1.7
153.09108	4.3
157.10081	2.9
159.11684	8.9
161.13254	6.5
163.11166	4.2
163.14804	3.3
165.09151	1.2
167.66794	1.2
169.10104	2.9
169.12265	5.0
171.10211	2.4
171.11662	3.7
173.11696	5.2
173.13237	8.0
177.12752	2.4
179.14372	2.0
181.12241	2.0
183.11685	2.6
187.11172	3.3
187.13266	3.5
187.14760	1.6
189.11182	24.6
191.14273	2.6
197.13258	2.6
205.12305	1.4
209.11819	1.8
209.15382	8.0
215.17998	1.5
223.75327	1.2
229.19504	7.4
230.19966	1.3
233.15364	2.1
237.11243	6.2
239.17960	4.2
247.20546	5.6
257.16266	1.7
257.18991	25.5
275.20032	100.0
276.20438	3.5
293.21033	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	293.2104
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03929	1.2
54.10008	0.6
55.01854	3.2
55.05504	9.8
57.03412	1.0
57.07051	1.8
67.05495	20.4
69.07057	19.7
69.49958	0.8
69.50345	6.5
71.04987	1.8
79.05481	12.8
81.07043	25.6
83.04971	6.1
83.08614	4.3
85.06547	1.6
91.05453	13.1
93.07027	18.5
95.04948	6.4
95.08591	15.2
95.76978	0.7
97.06508	2.5
97.10130	2.8
105.07017	19.2
107.04941	5.1
107.08582	11.7
109.06497	9.1
109.10117	8.0
111.08057	1.8
117.07031	3.7
119.08561	11.2
121.06482	6.2
121.10135	5.8
122.83900	0.7
123.08047	2.7
123.11662	3.4
125.09612	1.0
129.07013	1.5
131.08543	10.5
133.06462	1.4
133.10104	14.8
135.08003	3.4
135.11633	3.9
137.09589	1.8
141.06921	0.8
142.07693	0.9
143.08528	2.4
145.06451	0.9
145.10106	8.5
147.08011	2.7
147.11667	9.0
149.09592	4.1
149.13222	2.3
151.11186	6.1
155.08527	1.7
157.10071	2.7
158.07202	0.7
159.08066	1.4
159.11650	5.3
161.09586	2.0
161.13243	2.1
163.11153	3.4
165.12776	0.9
169.10092	1.2
171.11626	1.8
173.09587	2.7
173.13243	4.7
175.11122	1.3
177.11374	0.8
177.12776	1.9
183.11647	1.4
187.11163	1.4
191.14340	2.6
197.13235	2.1
201.12703	2.3
207.13837	2.5
215.14304	1.1
215.17900	1.8
219.13762	3.4
229.19453	2.2
231.17352	1.1
233.15265	1.2
239.17952	2.6
247.20505	2.0
257.18942	13.6
275.20013	100.0
276.20352	3.2
293.21057	35.6
294.21487	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	3.4
55.01862	11.9
55.05260	1.1
55.05506	16.2
57.03415	0.9
57.07064	3.3
64.37064	1.0
65.09013	1.0
67.05496	18.5
69.03416	2.4
69.07057	13.0
71.04967	1.1
71.08598	2.1
79.05479	24.6
81.03401	3.1
81.07046	19.7
83.04968	4.4
83.08602	9.1
85.06536	2.3
88.95193	1.0
89.32707	1.0
91.05463	16.3
93.07030	17.7
95.04980	4.7
95.08588	15.5
96.08989	1.1
97.06517	17.7
97.10159	10.8
99.08104	1.5
105.07014	20.1
105.07671	1.6
107.04913	5.8
107.08577	52.8
108.08887	1.0
109.06493	5.4
109.10165	8.2
111.08064	2.3
117.07004	4.8
119.06124	1.2
119.08563	13.8
121.06472	2.7
121.10102	8.3
122.03623	5.5
123.04418	1.3
123.08071	3.5
123.11681	2.9
124.04736	1.5
125.09599	10.4
129.07083	1.0
131.08553	9.1
133.06602	0.9
133.10117	14.0
135.08041	2.8
135.11681	4.2
137.05957	100.0
137.09605	1.7
141.07043	1.1
141.12724	2.7
143.08601	1.1
144.27280	1.0
145.10094	8.6
147.11662	8.4
149.09616	10.4
149.13226	2.5
151.11125	3.0
153.09082	1.3
157.10071	2.1
158.15433	1.8
159.11664	4.9
161.13258	3.3
163.11169	4.2
163.14713	1.5
165.09142	2.0
169.10152	1.2
170.15331	1.3
171.11623	1.4
173.11734	1.1
173.13231	3.6
177.12706	1.9
177.93913	1.1
187.11215	2.3
189.11180	9.9
195.53091	1.1
229.19395	1.8
233.15379	1.3
239.17966	3.3
247.20656	1.8
257.18893	5.8
275.20023	64.8
276.20453	3.7
293.21008	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	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.38725	1.7
53.03933	3.5
53.74010	1.6
55.01865	16.6
55.05501	24.9
57.03412	5.0
57.07049	2.4
60.52830	1.8
63.88629	1.8
67.05495	38.6
69.03418	6.1
69.06712	3.6
69.07059	47.0
71.04987	4.5
79.05480	44.1
81.03404	7.8
81.07047	44.2
83.04967	8.5
83.08598	13.1
85.06524	3.2
90.15668	1.8
91.05471	30.8
93.07028	37.8
95.04950	25.7
95.08593	34.7
97.06519	29.0
97.10143	13.2
97.66547	1.7
98.98411	1.7
105.06424	1.1
105.07013	39.8
107.04940	10.1
107.08578	65.4
107.09288	3.4
109.06493	10.6
109.10139	11.0
111.08083	3.1
117.07018	8.2
119.08560	27.4
121.06509	4.4
121.10131	18.8
123.08038	8.1
123.11700	5.6
125.09625	9.8
129.07001	4.9
131.08575	10.4
133.06432	2.0
133.10106	25.1
135.08014	8.9
135.11665	10.8
137.05989	2.4
137.09583	4.6
139.11133	3.6
143.08536	4.9
145.10106	15.3
147.11658	15.3
149.09586	13.8
149.13264	5.2
151.07474	2.0
151.11176	6.4
157.10133	4.8
159.11674	11.6
161.09578	4.1
161.13240	8.2
163.07494	2.0
163.11203	4.3
165.09135	3.3
169.10178	1.9
171.11731	3.5
173.13254	5.1
175.11191	2.2
175.14803	3.6
177.05435	12.5
177.12744	4.2
178.06265	6.9
183.11658	2.2
185.13246	4.3
187.11166	2.8
189.11168	9.9
189.12701	2.4
191.07031	2.0
203.12619	2.4
203.14343	4.4
205.12170	2.5
207.13826	2.0
218.11606	2.4
219.17365	5.1
221.15382	5.7
225.88106	1.9
229.19505	6.9
233.11705	13.2
237.14857	7.5
239.17871	5.4
247.20634	5.8
257.18906	18.0
257.48663	2.0
269.87421	1.8
275.20023	100.0
276.20386	5.4
293.21042	43.4
293.24307	3.3
293.27994	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	2.0
55.01863	13.7
55.05502	22.3
57.03426	1.2
57.07050	2.6
65.03934	1.6
67.05165	1.9
67.05496	22.4
69.03403	3.3
69.07055	15.9
69.26706	1.5
69.27109	10.6
71.04982	2.1
77.03889	1.0
79.05480	38.2
79.21399	0.9
81.03407	3.3
81.07041	23.3
83.04971	5.4
83.05402	0.9
83.08604	13.9
85.06536	1.9
91.05466	27.9
93.07030	19.7
95.04966	5.3
95.08597	16.4
97.06518	18.0
97.10159	20.1
100.32320	1.0
101.06005	1.6
105.07017	31.8
107.04944	8.1
107.08580	100.0
108.08913	1.6
109.06511	6.1
109.10126	10.4
111.08044	2.4
117.06989	5.8
119.08564	17.0
121.06505	2.7
121.10127	9.5
123.08048	3.7
123.11700	2.8
125.09612	14.8
129.06976	1.6
131.08539	10.1
133.10120	19.2
134.24545	0.9
135.08014	4.2
135.11679	5.6
137.09608	2.4
143.08522	1.3
145.10104	11.0
147.08011	1.4
147.11671	11.1
149.09602	14.2
149.13242	1.6
150.09920	1.2
151.11122	3.2
153.09103	1.1
153.12694	2.2
155.08495	1.2
157.10136	2.9
159.11688	7.3
161.09633	1.0
161.13245	4.7
163.11136	3.7
165.09135	3.0
169.10091	1.7
171.10297	1.1
171.11694	3.3
173.13222	3.5
175.11150	1.7
175.14861	1.4
177.12741	1.9
179.14362	1.5
181.12228	2.2
183.11703	2.5
187.11168	2.0
189.11200	16.1
189.12729	1.1
191.14346	1.2
195.13985	1.2
216.23886	0.9
219.13808	1.1
223.13173	1.5
229.19565	2.0
230.16345	1.2
231.17514	1.1
239.17941	4.3
247.20604	2.1
257.18982	11.6
263.21915	1.0
275.20029	84.7
276.20438	2.9
293.21048	13.9
293.28046	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	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	2.8
55.01617	1.2
55.01863	15.5
55.05506	17.8
57.03430	1.7
57.07062	10.9
57.39407	0.9
59.04957	1.0
65.03934	1.4
67.05167	1.7
67.05498	22.4
67.05842	0.8
69.03404	3.3
69.07059	13.4
70.67744	1.8
71.04974	1.9
71.08594	1.1
79.05483	27.3
81.03396	3.1
81.07049	25.0
83.04968	4.5
83.08614	7.6
85.06522	3.3
85.07620	0.9
91.05467	17.5
93.07034	17.2
95.04965	8.0
95.08598	14.6
97.06519	22.7
97.10165	9.9
98.20863	1.1
98.98409	1.7
105.01580	0.9
105.06375	1.8
105.07018	21.0
107.04953	6.5
107.08581	50.8
109.06504	6.8
109.10159	9.1
111.04425	2.3
111.08051	3.1
113.05970	1.0
115.05437	2.3
117.07020	6.3
117.07767	1.4
119.08555	13.4
121.06505	2.3
121.10110	7.7
122.03638	4.3
123.08041	3.6
123.11703	5.0
125.05939	1.4
125.09618	7.9
129.06915	1.0
131.08554	8.6
133.09230	1.4
133.10123	14.2
135.08020	3.7
135.11668	4.7
137.05962	100.0
137.09572	3.7
137.13220	1.2
139.11143	1.4
143.08536	2.2
145.06461	2.8
145.10114	7.2
147.08031	1.5
147.11647	9.3
149.09587	10.6
149.13205	2.1
151.07509	2.5
151.11111	3.4
153.05423	2.6
153.09024	1.3
155.08466	0.9
155.20607	1.1
157.10068	1.9
158.15404	1.5
159.11667	6.7
161.09602	1.6
161.13239	3.3
163.11153	6.0
165.09076	3.1
169.10135	1.8
170.15408	2.9
171.11667	1.5
173.05960	9.5
173.13258	2.5
175.07561	5.1
175.11234	1.0
177.05466	2.2
177.12758	2.4
179.14330	1.3
181.04915	3.8
181.12238	2.2
183.11717	1.4
187.07579	1.7
187.11096	1.7
187.14781	1.4
189.11174	8.5
189.12657	1.4
191.07027	6.7
191.10634	5.0
195.10144	1.2
197.13200	2.2
203.07002	19.1
205.08527	1.2
205.12054	1.2
209.11629	11.6
211.14787	1.0
215.07039	2.2
218.69922	0.9
219.10127	1.8
219.13811	1.0
221.08058	91.4
222.08421	4.2
223.13222	1.6
229.12363	1.6
229.19586	2.3
233.08092	4.5
237.11186	21.5
238.11531	1.2
239.17938	3.4
247.20508	2.8
257.11630	3.8
257.18936	8.0
265.17911	1.6
275.12787	15.0
275.20020	66.1
276.20401	2.9
293.13867	27.1
293.17841	2.3
293.21008	18.8
293.27713	1.0
294.14169	1.4
294.21017	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1377
Annotation	Morinin C
Peak:m/z	Relative Intensity
51.02370	0.2
55.01848	0.2
55.05497	0.3
57.03420	0.4
67.05483	0.6
69.03419	7.7
69.07054	0.3
71.04968	0.2
71.62272	0.2
79.05475	0.3
81.03404	0.4
81.07033	0.6
83.05013	0.2
83.89072	0.2
85.02881	0.5
91.05453	0.6
93.07043	0.4
94.53992	0.2
95.04948	0.7
95.08572	0.4
99.04431	0.4
103.05460	1.7
105.06995	0.6
107.04935	0.3
107.08576	0.2
108.05701	0.7
109.02872	0.3
109.10131	0.5
111.04427	7.7
115.05436	0.4
117.07001	0.8
119.08563	0.3
119.77284	0.2
121.06468	0.3
121.10147	0.2
123.08028	0.3
123.11713	0.4
128.06187	0.4
129.06972	0.4
131.04904	5.6
131.08556	0.5
133.06421	0.2
134.91026	0.2
135.08046	0.8
135.11612	0.2
136.05180	2.2
137.05925	0.8
141.06966	0.4
143.08524	0.5
144.05667	0.2
145.06451	1.3
149.05963	0.3
149.09601	0.3
151.07516	100.0
152.07858	1.6
153.06931	0.3
155.08521	0.3
157.06479	0.4
159.08070	0.8
160.05191	0.3
161.05984	0.3
163.07495	1.4
165.06938	0.3
165.09096	0.7
169.06483	0.3
169.10141	0.4
171.08031	0.9
173.05939	0.5
173.09573	0.3
174.06778	0.3
175.07533	1.5
177.05571	0.2
177.09096	1.9
181.08600	0.2
183.08026	0.6
186.06660	0.2
187.07526	1.2
188.08238	0.2
189.05518	0.3
189.09087	1.7
191.07010	2.5
191.10686	0.2
195.10144	1.7
197.09634	0.8
199.07541	0.5
201.09111	0.8
203.07033	0.5
203.10616	0.9
205.08548	0.6
213.09186	0.3
215.10689	0.8
217.08565	0.7
219.10095	0.8
225.09143	0.3
229.08629	0.4
229.12241	0.7
231.10187	0.7
233.11685	0.4
235.09630	0.7
239.10641	0.3
247.09735	0.5
247.13332	0.3
249.11296	0.2
257.11746	0.9
275.09351	0.3
275.12680	1.8
293.08029	0.3
293.11087	0.2
293.13889	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.0
55.01868	2.3
56.12485	1.3
56.96563	1.5
57.03435	6.8
57.07063	8.6
59.59762	1.3
61.02925	6.4
65.03926	1.9
67.05499	15.3
69.03422	15.6
69.07051	3.1
71.04981	4.9
71.61663	1.3
73.02909	3.4
79.05475	2.2
81.03399	5.6
81.07046	4.1
85.02894	68.1
85.06528	6.3
85.13561	1.1
87.04484	1.4
91.03941	2.7
93.07027	1.8
93.22976	1.2
95.04952	22.5
95.08606	2.9
96.59505	1.6
97.02882	14.0
98.97603	1.6
98.98446	2.2
99.04435	3.3
109.02863	9.7
109.10142	1.9
113.05991	46.3
127.03896	16.1
127.55217	1.2
131.07030	100.0
133.06398	1.5
133.07573	1.9
139.03915	2.1
145.04961	18.8
145.06120	2.3
146.99556	2.0
147.11722	1.4
151.07458	3.1
151.83612	1.3
161.07088	4.1
162.95206	1.4
163.03911	2.0
163.06068	2.1
170.54327	1.4
175.03931	1.4
191.03387	3.0
219.02843	5.1
257.08994	2.7
275.13998	1.5
275.17023	1.5
293.02802	4.5
293.11194	3.7
293.14508	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1225
Annotation	Itoside L
Peak:m/z	Relative Intensity
53.03927	1.3
54.64042	0.5
55.01867	2.4
55.05504	0.6
56.96553	1.1
57.03431	5.0
57.07068	8.5
59.04983	1.5
61.02916	7.3
61.85281	0.5
65.03925	1.4
67.05493	14.2
69.03419	16.5
69.07056	2.5
70.06570	1.1
71.04985	6.7
71.61254	0.6
73.02907	3.1
76.18049	0.5
79.05485	0.7
81.03407	7.0
81.07044	1.9
83.04975	0.9
84.04476	0.8
84.61728	0.5
85.02891	75.2
85.06525	7.3
86.03230	1.0
87.04451	1.4
91.03943	3.4
91.05447	0.9
93.07037	0.5
95.04950	20.8
95.05548	1.2
95.08595	1.0
97.02876	16.1
99.04455	2.8
101.02386	0.8
103.03939	0.8
103.07584	0.8
105.07020	0.8
109.02867	8.1
113.05988	40.4
114.06310	0.8
115.03904	1.0
116.98609	1.1
119.04928	0.7
119.08594	0.8
123.04390	1.4
127.03889	15.0
128.04207	0.6
130.04892	0.5
131.07019	100.0
132.07333	1.7
134.99644	0.6
137.02226	0.6
137.05945	0.7
139.03871	1.9
145.04942	18.3
145.06128	1.1
146.03903	0.6
146.05258	0.6
149.02243	1.1
149.08070	0.8
151.03867	0.7
151.07521	1.1
153.01790	1.3
158.99524	0.5
161.05928	0.8
161.07098	1.9
163.03891	1.3
163.05989	3.5
165.05481	0.5
172.09627	0.7
191.03362	1.1
219.02870	1.5
237.02890	0.8
251.04243	0.6
257.09125	1.1
275.10089	0.6
275.13519	1.0
276.12946	0.6
283.05014	0.5
293.02832	1.6
293.06201	1.5
293.10974	1.7
293.14606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
56.96563	3.9
57.03428	1.8
58.99857	0.9
61.02928	1.0
69.03426	3.7
70.07384	1.2
70.07779	1.5
73.02905	0.8
77.00896	0.9
81.03402	3.6
81.99023	0.5
82.99878	2.0
84.96020	0.6
85.02898	2.4
86.03659	0.8
91.30137	0.4
95.01929	0.8
97.02895	1.5
98.20951	0.8
98.97573	2.0
100.00105	0.8
101.00858	10.2
102.00957	0.7
102.01611	0.9
103.02431	1.4
105.00325	0.7
109.02846	1.3
111.04418	0.6
113.00893	0.8
115.02392	1.0
116.98631	1.9
117.03992	0.7
118.01144	2.4
119.01907	42.4
120.01969	2.6
121.01654	2.0
127.02468	0.5
129.04005	0.6
131.01881	5.3
132.01862	0.7
133.01649	0.7
133.03458	4.1
134.03497	0.5
134.99669	1.3
135.03215	1.1
135.04974	0.7
137.01945	0.9
137.02943	12.5
137.04648	0.5
138.01880	0.5
138.02861	0.8
139.00830	0.9
139.02644	0.6
140.01622	0.5
142.01108	22.3
142.03458	1.5
143.00175	1.0
143.01877	23.5
144.52719	0.7
145.02422	0.7
145.03447	8.2
146.01552	0.5
146.03593	0.5
146.99696	0.9
147.01410	1.0
147.03191	1.2
147.05011	1.7
149.01115	1.2
149.02943	0.6
150.50877	0.5
151.04520	0.8
152.01599	1.1
154.01280	0.7
155.01854	1.2
156.02597	0.5
157.03450	48.1
157.98935	0.6
158.03732	1.0
159.03238	1.1
159.05005	2.4
160.02182	36.3
161.02945	97.7
162.03050	2.5
162.99347	1.0
163.02736	1.4
163.04497	1.8
165.02405	0.8
166.02255	0.7
167.00342	0.6
167.01906	0.7
169.03430	5.5
170.03442	0.6
171.01369	1.8
171.05005	2.4
173.02954	14.6
173.04462	0.9
174.01244	0.8
174.03094	0.7
175.04509	72.6
176.04575	2.1
177.00958	3.1
177.02318	0.8
177.04361	1.1
177.06071	1.5
178.03229	0.9
179.04019	4.3
179.53172	0.6
180.01082	0.6
181.01889	0.6
183.03644	1.1
183.05144	1.1
184.04538	3.6
185.02966	4.6
185.51953	0.7
187.00809	0.9
187.04497	19.6
188.04773	0.7
189.00754	1.4
189.02423	4.7
189.03969	0.9
189.06003	3.2
191.00536	0.8
191.03992	15.0
193.01990	0.7
194.00970	0.8
197.02960	1.5
198.06093	4.2
199.01682	0.6
201.00954	1.2
201.06097	1.1
202.51634	0.9
203.02368	1.8
203.04047	5.6
203.50737	0.6
204.00122	0.6
205.02071	0.7
205.05562	5.0
207.03476	0.7
209.00526	0.8
209.05049	0.8
210.00215	0.6
211.53601	1.0
212.03658	0.7
213.02400	1.6
214.05553	1.4
215.00255	2.8
215.04083	2.0
216.00447	0.9
217.05597	3.5
219.01938	3.6
221.03241	1.7
221.05107	1.8
223.04736	0.9
223.06619	1.9
226.03903	0.8
226.54448	0.6
229.05716	2.4
230.05707	0.7
231.03407	2.3
233.01407	3.9
233.03285	0.9
239.06181	2.0
241.05865	0.6
242.99231	0.6
243.02342	0.8
245.00940	0.5
245.03429	0.8
247.01349	2.8
247.06668	19.3
248.06648	0.7
249.50548	0.7
251.06339	0.9
251.52504	0.7
257.05066	0.9
260.04868	0.7
260.49765	0.6
261.02982	0.9
263.02835	0.7
263.05988	1.6
265.07681	2.0
267.51273	0.9
269.52719	1.9
270.03677	4.9
272.05890	1.0
273.02179	0.8
273.07504	2.2
275.06082	100.0
276.06213	4.6
278.53333	1.7
279.03479	0.7
282.02301	1.1
284.00827	0.7
288.04132	1.6
289.02237	2.5
293.03561	2.5
293.07141	28.3
294.07257	1.2
303.11383	0.6
311.08377	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	293.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
56.96563	3.9
57.03428	1.8
58.99857	0.9
61.02928	1.0
69.03426	3.7
70.07384	1.2
70.07779	1.5
73.02905	0.8
77.00896	0.9
81.03402	3.6
81.99023	0.5
82.99878	2.0
84.96020	0.6
85.02898	2.4
86.03659	0.8
91.30137	0.4
95.01929	0.8
97.02895	1.5
98.20951	0.8
98.97573	2.0
100.00105	0.8
101.00858	10.2
102.00957	0.7
102.01611	0.9
103.02431	1.4
105.00325	0.7
109.02846	1.3
111.04418	0.6
113.00893	0.8
115.02392	1.0
116.98631	1.9
117.03992	0.7
118.01144	2.4
119.01907	42.4
120.01969	2.6
121.01654	2.0
127.02468	0.5
129.04005	0.6
131.01881	5.3
132.01862	0.7
133.01649	0.7
133.03458	4.1
134.03497	0.5
134.99669	1.3
135.03215	1.1
135.04974	0.7
137.01945	0.9
137.02943	12.5
137.04648	0.5
138.01880	0.5
138.02861	0.8
139.00830	0.9
139.02644	0.6
140.01622	0.5
142.01108	22.3
142.03458	1.5
143.00175	1.0
143.01877	23.5
144.52719	0.7
145.02422	0.7
145.03447	8.2
146.01552	0.5
146.03593	0.5
146.99696	0.9
147.01410	1.0
147.03191	1.2
147.05011	1.7
149.01115	1.2
149.02943	0.6
150.50877	0.5
151.04520	0.8
152.01599	1.1
154.01280	0.7
155.01854	1.2
156.02597	0.5
157.03450	48.1
157.98935	0.6
158.03732	1.0
159.03238	1.1
159.05005	2.4
160.02182	36.3
161.02945	97.7
162.03050	2.5
162.99347	1.0
163.02736	1.4
163.04497	1.8
165.02405	0.8
166.02255	0.7
167.00342	0.6
167.01906	0.7
169.03430	5.5
170.03442	0.6
171.01369	1.8
171.05005	2.4
173.02954	14.6
173.04462	0.9
174.01244	0.8
174.03094	0.7
175.04509	72.6
176.04575	2.1
177.00958	3.1
177.02318	0.8
177.04361	1.1
177.06071	1.5
178.03229	0.9
179.04019	4.3
179.53172	0.6
180.01082	0.6
181.01889	0.6
183.03644	1.1
183.05144	1.1
184.04538	3.6
185.02966	4.6
185.51953	0.7
187.00809	0.9
187.04497	19.6
188.04773	0.7
189.00754	1.4
189.02423	4.7
189.03969	0.9
189.06003	3.2
191.00536	0.8
191.03992	15.0
193.01990	0.7
194.00970	0.8
197.02960	1.5
198.06093	4.2
199.01682	0.6
201.00954	1.2
201.06097	1.1
202.51634	0.9
203.02368	1.8
203.04047	5.6
203.50737	0.6
204.00122	0.6
205.02071	0.7
205.05562	5.0
207.03476	0.7
209.00526	0.8
209.05049	0.8
210.00215	0.6
211.53601	1.0
212.03658	0.7
213.02400	1.6
214.05553	1.4
215.00255	2.8
215.04083	2.0
216.00447	0.9
217.05597	3.5
219.01938	3.6
221.03241	1.7
221.05107	1.8
223.04736	0.9
223.06619	1.9
226.03903	0.8
226.54448	0.6
229.05716	2.4
230.05707	0.7
231.03407	2.3
233.01407	3.9
233.03285	0.9
239.06181	2.0
241.05865	0.6
242.99231	0.6
243.02342	0.8
245.00940	0.5
245.03429	0.8
247.01349	2.8
247.06668	19.3
248.06648	0.7
249.50548	0.7
251.06339	0.9
251.52504	0.7
257.05066	0.9
260.04868	0.7
260.49765	0.6
261.02982	0.9
263.02835	0.7
263.05988	1.6
265.07681	2.0
267.51273	0.9
269.52719	1.9
270.03677	4.9
272.05890	1.0
273.02179	0.8
273.07504	2.2
275.06082	100.0
276.06213	4.6
278.53333	1.7
279.03479	0.7
282.02301	1.1
284.00827	0.7
288.04132	1.6
289.02237	2.5
293.03561	2.5
293.07141	28.3
294.07257	1.2
303.11383	0.6
311.08377	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	293.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02898	1.1
70.20644	1.0
71.02762	1.8
71.03090	1.6
83.44945	1.0
90.30125	1.1
101.00867	1.6
112.66797	1.4
119.01917	3.1
129.69730	1.2
143.01895	3.9
155.01869	1.5
161.02971	7.5
163.92113	1.1
173.02885	3.3
187.22552	1.0
191.03952	1.8
203.04002	3.1
263.06244	1.6
263.57962	1.1
275.06369	1.3
293.06299	100.0
294.06708	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.8
55.05493	2.6
56.96284	3.7
56.96555	50.2
57.03421	6.7
59.04995	4.0
61.02912	7.0
67.05497	3.2
69.03420	19.9
70.30919	8.0
71.04987	4.7
73.02917	10.5
75.18713	1.8
78.71957	1.8
81.03416	9.8
81.07024	2.2
83.04958	4.4
84.96037	14.4
85.02892	26.9
85.03360	2.8
85.83641	1.9
86.09705	9.2
87.04463	3.3
95.04900	2.1
97.02874	17.0
98.97571	87.9
99.04459	6.1
101.00869	9.0
101.07005	1.9
102.97050	2.5
103.00608	3.3
103.02462	2.9
107.04967	2.1
109.02887	7.2
109.64835	1.9
110.97549	25.8
112.99146	2.5
115.02427	2.6
115.03934	2.2
116.98611	53.6
119.00159	2.1
119.01905	39.5
120.01968	2.0
121.01651	7.9
124.99075	2.6
127.03894	11.7
128.86945	1.7
128.98593	36.7
129.03891	2.0
131.00156	4.6
131.01869	10.9
131.96121	6.5
133.01675	4.5
133.03455	8.2
134.99634	24.3
137.02971	9.8
137.05981	2.8
139.02606	3.1
140.98590	8.3
142.03494	2.2
143.00125	14.3
143.01807	13.5
143.03419	2.1
144.98070	1.9
145.01675	3.5
145.03450	12.2
145.04950	5.1
146.03453	2.2
146.99628	32.1
147.03101	3.0
147.05038	5.9
149.01187	3.3
149.02962	4.0
149.04735	2.1
149.97160	2.3
152.98587	16.0
153.00688	3.7
153.01804	19.7
155.01906	2.7
155.98746	1.7
157.01653	2.9
157.03448	9.1
157.51968	2.0
158.99664	24.2
159.03175	2.5
159.05013	3.6
160.02155	4.6
160.07625	3.4
161.01213	15.4
161.02948	41.2
161.06973	2.8
162.99112	5.8
163.02664	10.6
163.04578	4.0
165.00700	9.1
167.05603	2.5
169.03438	5.2
170.99641	23.1
171.05040	2.6
172.97540	3.3
173.01366	3.6
173.02968	10.9
173.06589	4.3
173.97171	2.5
175.02853	3.4
175.04504	10.0
177.00739	16.4
177.04338	9.3
177.05891	3.7
179.02231	4.4
179.03822	1.9
181.05270	2.6
182.99547	3.0
184.07544	3.3
185.01373	2.7
185.02965	6.5
185.06590	2.6
187.02745	3.3
187.04497	8.7
189.00717	19.4
189.02376	3.3
189.04295	2.8
189.06091	5.4
190.98570	5.3
191.02254	5.0
191.03938	9.3
191.07629	2.6
191.98219	2.3
193.00153	2.7
195.05276	5.4
201.00699	24.8
201.06161	2.5
202.08611	10.2
203.02216	3.8
203.04012	13.4
203.05835	3.4
203.07735	5.3
205.03752	3.3
205.05569	3.6
205.07336	2.2
207.01813	5.2
208.99730	2.2
210.56900	2.1
211.01146	2.4
212.05351	3.0
212.07138	7.5
215.00426	2.5
215.03973	2.9
217.05566	2.7
219.01758	34.1
220.02232	2.5
221.06831	2.5
231.07286	2.9
232.99556	3.6
233.03198	9.1
237.02769	56.2
243.07178	2.0
245.05042	2.7
247.06767	2.9
251.04434	100.0
255.03851	3.5
257.01389	2.9
261.02789	5.6
263.06342	2.3
269.05432	35.8
270.04681	2.3
274.05908	3.7
274.97479	6.8
275.02200	12.1
275.06354	10.4
275.09045	1.8
279.03726	4.1
289.04224	2.4
292.06964	3.1
292.98434	8.5
293.05640	89.1
293.08572	3.3
293.10901	8.9
303.01196	3.2
307.08759	3.5
310.00848	2.6
311.06403	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	291.2677
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
53.03921	1.7
54.46616	0.9
55.05500	23.9
56.96554	1.7
57.03406	2.2
57.06827	1.1
57.07071	14.2
59.04976	2.8
65.03902	1.0
67.05498	30.0
69.03399	4.0
69.07057	48.0
71.04968	3.3
71.08618	8.3
79.05050	1.5
79.05478	18.9
81.03404	5.9
81.07043	92.6
82.07400	1.4
83.04950	4.0
83.08607	23.3
84.96075	1.0
85.06519	4.1
85.10158	2.0
89.76025	1.0
91.05466	12.4
93.07029	35.2
95.04949	10.6
95.08591	100.0
96.02802	0.9
96.08907	2.9
97.06512	5.9
97.10160	11.6
98.97548	2.8
99.08057	2.9
105.07017	19.5
107.04901	1.7
107.08576	34.0
108.08945	1.1
109.06511	6.8
109.10139	45.6
109.88496	1.0
110.10437	2.2
111.08054	8.5
111.11704	7.6
113.09602	1.4
113.30193	0.9
116.98593	2.4
117.06982	2.4
119.04958	1.1
119.07787	1.6
119.08569	18.5
121.06467	1.3
121.09311	1.8
121.10129	28.5
123.04420	5.7
123.08029	6.0
123.11688	35.4
124.11976	1.5
125.09566	3.3
125.13226	1.6
127.11184	1.3
131.08496	3.1
133.10107	14.3
135.08008	3.9
135.11671	23.0
136.11943	1.8
137.09592	3.7
137.13232	23.6
139.03888	10.0
139.11194	6.2
141.12703	1.1
143.08556	1.4
145.10071	3.9
147.04384	3.5
147.07982	1.6
147.11673	16.4
149.09599	3.1
149.12032	1.2
149.13232	21.9
150.13458	1.1
151.07504	6.0
151.11115	2.3
151.14778	5.5
153.12688	4.1
157.10054	1.4
158.57597	1.1
159.11620	2.8
161.06017	1.2
161.09610	1.4
161.13211	11.8
163.14783	14.4
165.05386	1.4
165.12697	3.4
165.16360	3.1
167.14259	2.6
171.11610	1.4
175.11139	1.2
175.14786	5.2
177.00575	1.7
177.16377	8.5
179.06969	1.1
179.10680	1.4
179.14301	1.6
179.17824	1.5
189.12700	2.9
189.16336	5.3
191.17876	5.3
193.15869	1.5
195.13693	1.0
199.14771	1.5
203.17905	6.1
205.19614	1.8
207.13759	4.5
217.15839	1.3
217.19481	7.3
218.19672	1.0
219.20859	1.2
221.18945	1.0
231.21033	6.4
233.15334	1.3
245.22580	1.4
247.24161	2.1
255.21014	1.2
273.18536	5.6
273.22241	2.6
273.25699	27.1
274.25949	1.8
291.19751	19.6
291.23151	7.5
291.26733	86.6
292.19476	1.5
292.23203	0.9
292.27188	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	291.2678
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.83384	0.8
55.01845	1.9
55.05503	21.0
57.03423	1.6
57.07070	9.9
59.04998	2.1
62.51405	0.8
65.03905	0.9
67.05168	1.2
67.05498	18.0
69.03397	2.9
69.07058	100.0
69.80740	5.3
70.07388	1.3
71.04971	4.1
71.08636	5.1
79.05473	9.0
80.35241	0.8
81.03414	1.9
81.07045	70.0
82.07386	2.2
83.04968	1.8
83.08138	1.3
83.08609	21.7
85.06525	6.8
85.10140	1.2
89.85286	0.8
91.05453	5.0
93.07031	29.3
94.07333	1.1
95.04926	1.7
95.08593	67.5
97.06510	11.7
97.10160	10.6
99.08054	3.2
105.07014	10.8
107.08582	27.6
109.06490	1.9
109.10136	42.0
110.10482	1.4
111.08069	9.9
111.11698	19.3
113.09654	1.2
119.08569	9.6
121.10123	23.1
123.11683	29.3
124.12023	0.9
125.09630	2.7
125.13229	1.8
133.10109	4.9
135.11670	19.1
137.13229	11.7
139.03867	1.2
139.11157	17.7
147.04391	3.6
147.11662	7.5
149.13249	16.7
149.14380	1.8
151.14807	3.7
153.12694	10.0
157.10172	0.9
161.13260	5.1
163.14795	11.0
165.12727	4.8
167.14288	1.8
175.14816	3.1
176.70323	0.9
177.16339	5.9
178.16653	0.8
179.14285	1.9
181.15842	1.0
189.16356	1.8
191.17957	4.3
193.15796	1.1
203.17934	3.1
205.19559	1.6
217.19516	4.4
221.18982	1.3
235.20538	2.3
247.24243	1.9
273.25714	13.4
291.08694	2.1
291.26779	67.7
292.27151	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2677
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
53.00282	0.7
53.03926	1.9
55.01834	0.9
55.05502	22.5
57.03422	1.5
57.06787	0.8
57.07068	14.8
58.11615	0.7
59.04988	2.0
60.22941	0.7
65.03926	1.3
67.05493	29.4
69.03415	3.7
69.07058	53.1
70.05550	3.9
71.04964	3.4
71.08629	6.3
73.14751	0.9
76.88196	0.8
77.47134	0.9
78.59232	0.8
79.05485	15.3
81.03413	3.8
81.07046	100.0
82.07376	1.3
83.04954	2.7
83.08606	25.1
85.06519	6.7
85.10166	1.7
91.05466	9.3
93.07030	33.0
95.04964	5.5
95.08594	97.9
96.08945	1.9
97.06515	6.9
97.10148	11.8
99.08072	2.7
105.06364	1.5
105.07014	17.5
107.07846	1.8
107.08581	37.1
109.06493	3.6
109.10141	65.0
110.10471	1.3
111.04401	1.1
111.08077	5.1
111.11706	8.8
113.09603	1.5
117.07067	1.2
119.08569	14.8
121.06475	0.9
121.10130	28.2
123.04413	2.6
123.08044	2.5
123.11690	57.3
124.11987	1.4
125.09586	3.0
125.13255	2.4
127.11150	1.0
131.08553	1.5
132.26828	0.9
133.10103	11.0
135.08083	1.2
135.11665	19.9
137.09604	1.9
137.13237	18.0
139.03856	2.5
139.11166	5.4
143.08545	1.0
145.10089	2.0
147.04396	2.3
147.10608	1.5
147.11665	14.9
149.13235	25.1
150.11139	1.2
151.07570	1.1
151.14795	5.0
153.12740	6.8
159.11626	1.3
161.09558	1.2
161.13245	9.6
163.14810	21.9
165.12752	2.6
165.16376	2.3
167.14249	3.0
175.14763	5.9
177.16353	11.4
179.14282	1.1
179.17969	3.8
181.15883	2.1
189.16345	4.9
191.17958	4.0
193.19585	1.7
203.17947	6.7
205.19482	2.3
207.17445	1.1
217.19490	10.0
219.21065	1.0
233.22644	1.2
245.51477	0.8
247.24081	1.8
250.06154	0.7
273.18542	1.9
273.25729	28.5
274.26099	1.6
291.19827	4.1
291.26807	80.9
292.27017	3.8
293.55811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2676
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
53.03938	1.3
55.05501	26.0
57.03430	1.9
57.07071	17.2
59.04973	2.4
63.86082	1.1
67.05494	31.7
69.03413	3.5
69.07059	53.4
69.65363	7.9
70.07395	1.0
71.04980	3.4
71.08630	7.8
72.18823	1.0
76.98461	1.1
79.05477	14.8
81.03400	4.1
81.07044	99.4
81.62233	1.1
82.07381	2.9
83.04967	1.7
83.08612	23.7
85.06525	4.6
85.10166	2.8
91.05460	8.5
93.06458	2.2
93.07029	35.3
95.04972	6.6
95.08591	100.0
96.08920	2.5
97.06518	6.1
97.10150	12.9
99.08070	3.1
105.07011	16.2
107.08574	35.5
109.06506	2.8
109.10140	60.5
111.08028	6.8
111.11704	7.0
113.09621	1.8
119.08557	15.9
121.10126	27.0
123.08061	2.3
123.11690	49.9
124.12090	1.3
125.09619	3.2
125.13268	1.4
127.11234	1.4
133.10110	11.3
135.11670	22.6
136.11900	1.2
137.09590	3.0
137.13231	18.9
139.11145	4.6
147.11664	15.6
149.13235	24.9
151.11195	2.2
151.14810	4.6
153.12735	5.5
161.13200	9.4
163.14801	22.5
165.12718	3.0
165.16327	1.9
167.14334	1.8
175.14789	5.0
177.16341	13.8
179.14255	2.1
179.17908	2.7
189.16318	7.1
191.17931	6.6
203.17973	8.3
205.19493	2.0
217.19478	10.9
247.24193	2.0
273.25723	33.5
274.25961	1.9
291.26776	97.0
292.27023	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2676
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03933	2.0
55.05501	20.7
57.03430	2.2
57.07071	10.4
59.04982	2.5
67.05498	24.7
69.03419	12.4
69.07056	100.0
69.97709	6.4
70.07386	1.7
71.04957	3.4
71.08611	5.0
79.05476	12.9
81.03396	1.5
81.07042	87.5
82.07399	1.2
83.08131	1.5
83.08604	19.3
85.06530	6.8
91.05451	4.1
93.06467	2.0
93.07031	31.2
93.07616	1.8
95.04964	2.2
95.08588	84.1
96.08913	2.1
97.06506	8.0
97.10141	9.8
98.20751	1.5
99.08051	4.2
105.06997	7.2
107.08575	35.9
108.08885	1.0
109.06471	1.7
109.10143	43.8
110.10489	1.4
111.08064	10.6
111.11691	18.3
113.09625	1.8
119.08564	8.0
121.09290	2.0
121.10119	24.7
122.10445	1.5
123.04430	1.8
123.08030	2.0
123.10794	2.4
123.11684	37.9
124.12001	1.5
125.09592	3.8
125.13246	2.4
127.03716	1.0
127.11189	1.1
128.46794	1.1
131.08505	1.1
133.10129	5.4
135.11667	19.8
137.12286	1.9
137.13232	18.5
139.03851	2.1
139.11159	15.1
147.11676	7.1
149.13252	18.5
151.11037	1.6
151.14787	5.5
153.12738	8.5
161.13225	5.1
162.13582	1.5
163.14819	11.8
165.12714	2.6
167.14265	3.5
175.14815	2.7
177.16396	6.8
179.14371	1.3
181.15788	1.1
189.16351	3.0
191.17947	4.8
199.70737	1.1
203.17906	3.8
205.19452	2.3
208.41136	1.4
217.19556	2.9
221.18884	1.5
233.08058	3.3
235.20531	2.2
273.18411	1.4
273.25687	8.5
291.12341	7.8
291.19852	2.6
291.26764	63.8
292.27072	4.4
304.48935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2678
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.97874	0.9
53.03938	1.7
53.49062	1.1
54.84755	1.0
55.01862	2.8
55.05508	20.5
57.07067	11.8
59.04979	2.8
65.03894	1.4
67.05167	2.1
67.05496	30.8
69.03414	4.9
69.07059	48.0
71.04964	4.6
71.08609	3.9
79.05470	12.2
79.90910	1.1
81.07047	100.0
83.04956	2.3
83.08610	23.6
85.06516	6.2
91.01685	1.5
91.05476	7.6
93.07033	32.0
95.04951	3.8
95.08595	93.3
96.08920	1.6
97.06516	5.9
97.10162	14.2
98.96587	1.2
99.08072	3.2
105.07021	14.0
107.08587	31.7
109.06492	2.2
109.10144	68.7
111.08093	7.3
111.11703	8.6
113.09612	1.4
117.06973	1.5
117.86839	1.1
119.08583	10.7
121.06427	1.3
121.10125	28.0
123.04384	4.0
123.11694	70.9
124.11998	1.4
125.09618	2.2
125.13247	2.6
129.05533	1.4
131.08522	1.3
133.10117	8.1
135.08080	1.6
135.11682	20.5
137.13239	18.4
139.03893	4.6
139.11154	4.3
141.12740	2.0
145.10089	1.5
147.04379	2.1
147.11688	8.7
149.12154	2.3
149.13243	26.4
151.07504	2.3
151.14813	4.5
153.12782	8.5
161.13194	8.5
163.14798	23.5
165.16423	2.5
167.14337	2.7
175.14813	6.1
177.16357	14.6
179.17941	4.2
181.15926	1.7
189.16362	5.0
191.17926	5.0
199.67859	1.1
203.17928	4.9
205.19531	2.0
217.19476	11.0
235.20525	2.0
237.55922	1.3
273.18503	2.7
273.25711	24.9
291.19650	5.5
291.26797	60.5
292.27243	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2313
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
55.05495	14.3
57.07062	11.6
67.05499	16.9
69.03419	3.6
69.07064	24.6
71.08606	5.4
71.62518	4.7
79.05481	21.6
81.07049	46.4
83.04936	3.9
83.08604	8.5
91.05470	12.2
93.07028	26.2
95.08592	63.0
97.10142	13.1
105.07011	15.5
107.04915	2.8
107.08585	31.2
109.06548	3.3
109.10142	24.0
111.08028	2.5
111.11688	3.7
119.08558	21.1
121.06493	3.2
121.10139	30.3
123.04423	6.1
123.11726	13.5
131.08566	6.0
133.10101	19.0
135.07994	4.0
135.11668	41.7
137.13214	18.1
139.03918	12.2
139.07515	12.1
145.10086	4.8
147.04370	2.5
147.11678	25.3
149.09618	4.9
149.13232	75.5
151.14783	7.6
155.72957	2.5
159.11629	5.1
161.13213	20.4
163.11096	2.9
163.14821	4.2
167.10701	6.0
173.13217	4.8
175.14812	12.4
179.10626	8.5
181.12216	6.8
191.14287	6.5
193.12190	9.6
195.13777	10.2
199.14830	3.4
207.13789	3.8
209.15315	6.5
213.61859	2.4
221.15269	5.2
229.19504	6.8
231.21039	77.3
255.21075	11.9
273.22125	32.0
291.19580	7.7
291.23123	100.0
292.23410	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	291.2313
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02347	0.9
53.03947	4.3
55.01842	1.3
55.05257	1.4
55.05502	18.7
57.07051	2.2
59.03905	0.8
59.04967	1.7
60.53704	0.8
63.15458	1.0
65.03937	1.1
67.05493	34.6
69.07059	17.1
70.68459	2.9
71.04977	0.8
71.08598	0.7
73.06522	1.3
77.03893	1.5
79.05482	74.1
80.05804	1.3
81.07044	43.2
83.04956	2.5
83.08602	8.1
85.06518	2.8
88.13507	0.8
91.05471	30.5
93.07027	100.0
94.07343	1.1
95.04943	7.7
95.08593	31.3
97.06512	2.2
97.10135	3.8
99.08069	1.6
105.04489	1.7
105.06296	0.9
105.07016	19.6
107.08576	57.9
109.06475	3.8
109.10139	15.2
111.08050	1.7
117.06975	3.7
119.08554	13.4
121.06535	1.0
121.10120	51.6
123.08014	2.4
123.11675	3.6
125.09653	1.5
129.06976	1.3
131.08557	4.6
133.10104	14.5
135.08049	2.3
135.11671	53.3
136.11977	1.0
137.09567	2.6
139.03860	1.3
139.11151	1.8
143.08514	2.5
145.10112	5.1
147.11679	10.9
149.09583	3.2
149.13239	35.2
151.11142	1.2
157.10068	1.2
159.11656	5.2
161.09590	1.0
161.13232	9.3
163.11133	4.0
163.14807	10.9
165.12694	0.9
170.27266	0.8
171.11696	2.5
173.13255	4.0
175.11220	1.6
175.14799	6.5
177.12711	2.7
177.16339	1.7
185.13255	4.3
189.12695	1.9
189.16254	1.1
195.13713	1.6
199.14835	2.0
203.14223	2.3
209.15375	2.0
213.16385	2.0
217.15924	1.3
217.19458	2.8
221.15372	2.1
231.17409	1.9
231.21013	1.2
235.16953	2.3
241.19441	7.1
244.78133	0.9
249.18411	1.3
259.20529	9.3
291.23132	88.4
292.23532	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	291.1949
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.00309	0.2
53.03929	0.6
55.01865	1.6
55.05502	6.7
56.10022	0.2
56.91059	0.2
57.07061	0.6
59.04984	0.4
65.03928	0.4
67.05159	0.3
67.05491	4.2
69.03402	1.0
69.07063	3.0
70.22202	1.0
71.04961	0.6
79.05048	0.4
79.05476	4.9
79.05896	0.2
81.03394	1.0
81.07043	5.8
83.04967	1.1
83.08202	0.2
83.08613	2.8
85.06503	0.4
91.05467	4.9
93.06476	0.3
93.07031	4.7
94.04165	0.3
95.04951	2.8
95.08597	3.5
97.02866	0.3
97.06510	0.7
97.10148	3.0
98.98443	0.3
103.05443	0.4
105.07018	5.4
107.04932	2.2
107.08582	3.8
108.05700	0.4
109.06492	0.8
109.10130	1.7
111.04459	0.3
111.08072	0.4
115.05392	0.3
117.06992	2.0
119.04935	1.3
119.08562	4.2
120.05662	0.3
121.06487	1.6
121.10105	1.4
123.04395	1.1
123.08086	1.2
123.11662	0.6
125.09626	1.5
128.06171	0.4
129.05492	0.3
129.06973	1.0
130.07755	0.5
131.08548	2.3
133.06485	2.5
133.10106	1.5
134.07231	0.9
135.08072	1.2
135.11661	0.9
137.09639	0.5
139.03885	2.1
143.08533	1.1
145.10106	1.9
147.04353	0.8
147.08025	2.9
147.11639	0.9
149.09616	1.0
149.13231	0.6
157.10071	0.8
159.08038	0.3
159.11636	0.8
161.09576	1.0
161.13286	0.4
162.10378	1.1
163.11143	0.9
163.14748	0.2
171.11658	0.3
173.13303	0.3
175.11165	0.8
175.14848	0.3
177.16426	0.3
179.07027	0.2
185.13110	0.5
187.14844	0.3
206.53169	0.2
223.13211	1.1
227.17885	0.4
249.14761	2.0
261.14926	0.5
263.16202	0.3
273.18454	3.0
273.21896	0.5
291.19495	100.0
292.19781	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
51.29724	0.6
55.01857	1.4
55.05507	4.7
57.03424	0.7
57.07074	3.9
59.04981	2.4
67.05502	4.8
69.03417	1.5
69.07055	3.0
70.25504	2.7
70.57280	0.6
71.04984	3.0
71.08585	0.8
71.65077	0.8
79.05487	4.4
81.03398	0.7
81.07050	9.9
83.04964	2.4
83.08604	4.3
83.34877	0.6
85.02901	0.9
85.06515	2.1
88.07622	0.6
91.05449	3.5
93.07043	7.9
95.04957	4.2
95.08596	13.9
97.02907	0.6
97.06533	3.1
101.69208	0.6
105.07009	7.3
105.37160	0.6
107.04932	5.1
107.08572	6.8
109.06525	6.1
109.10132	3.7
111.04480	0.9
111.08064	23.8
113.09654	1.1
117.07036	2.1
119.08574	8.5
121.06451	1.1
121.10126	5.6
122.07264	1.2
123.04400	1.0
123.08052	31.9
123.11714	1.5
125.09625	0.8
129.06987	1.4
130.07719	1.0
130.82843	0.6
131.08560	4.5
133.06456	2.9
133.10101	7.2
135.08046	5.3
135.11687	3.1
137.09589	3.1
139.03870	2.4
139.11092	0.8
141.05467	0.9
142.07779	1.2
143.08537	2.3
144.09250	1.0
145.10098	11.1
147.04326	0.8
147.08031	2.5
147.11679	5.4
149.09622	4.2
149.13234	1.5
151.07520	100.0
153.09132	0.7
155.10634	1.4
156.09329	1.8
157.10110	3.1
159.08041	1.1
159.11555	2.9
161.09625	4.8
161.13237	2.4
163.11104	3.0
165.09134	0.9
169.10034	0.9
170.10863	0.8
171.11656	5.1
173.09587	0.7
173.13232	4.6
174.10373	1.3
175.11067	3.5
177.09093	1.7
177.12738	1.5
179.10635	4.6
181.12221	1.1
182.10864	1.0
185.13295	1.5
187.11145	2.7
187.14812	1.4
189.12718	26.1
190.13451	0.8
191.10608	1.0
191.14299	5.5
192.11441	2.8
197.11687	15.7
197.13251	2.2
199.11169	0.9
203.14334	2.1
205.12210	0.9
206.69444	0.6
207.13773	62.5
208.14067	0.8
213.16420	2.4
215.14307	3.7
217.12192	3.4
229.15791	1.0
229.23654	0.9
231.17433	1.8
233.15331	17.7
235.13275	1.7
238.05457	0.7
255.17424	4.2
270.54376	0.8
273.18472	8.6
273.21545	0.9
291.19501	52.5
291.26450	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	291.1949
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.02889	1.0
55.01860	2.0
55.05506	10.7
57.03422	2.1
57.07058	3.8
59.04980	3.4
67.05512	9.2
69.03407	2.2
69.07058	7.9
69.37553	8.6
71.04971	3.7
71.50957	0.9
79.05488	11.0
79.39807	0.8
81.03411	1.5
81.06575	1.2
81.07048	17.6
83.04964	5.1
83.08613	12.2
84.26861	1.0
85.02900	1.0
85.06533	3.0
91.05484	7.6
93.07038	14.3
95.04955	7.1
95.08604	27.3
97.06536	7.3
97.10135	1.5
98.20732	1.5
98.98398	1.1
101.06004	1.2
105.07020	12.2
107.04942	19.0
107.08584	12.7
109.06479	8.5
109.10147	7.6
111.08068	41.3
113.09631	1.8
117.06981	2.7
119.04916	1.2
119.08569	10.3
121.06492	3.0
121.10111	10.2
122.07244	1.7
123.04440	6.3
123.05151	1.2
123.07172	1.9
123.08055	34.2
123.11674	4.3
125.09578	2.5
128.06197	1.2
129.07010	1.5
131.08533	6.3
133.06482	4.6
133.10106	13.4
135.08018	7.8
135.11703	5.2
137.09579	2.7
137.13217	1.7
139.03885	10.0
139.11160	1.5
141.05385	1.6
143.08514	2.4
145.10086	6.0
147.04333	2.7
147.08052	4.5
147.11647	9.1
149.09607	8.1
149.13197	3.0
151.07524	100.0
155.10661	3.6
156.09314	2.2
157.10129	6.1
159.08032	2.2
159.11642	2.4
161.05995	1.4
161.09595	4.1
161.13234	2.3
163.11156	3.9
163.14775	2.3
165.09088	1.6
167.10725	1.2
169.10214	1.3
169.12215	1.6
171.11646	4.6
173.09613	2.1
173.13258	7.9
174.10425	1.9
175.11137	5.8
177.09099	2.8
177.16319	1.3
179.10670	4.5
181.12257	1.9
187.14789	1.6
189.12715	26.8
191.14294	19.5
192.11412	4.1
193.12389	1.1
197.11700	15.6
197.13287	1.9
201.69742	1.1
203.14325	1.4
205.12218	1.3
207.13788	63.1
211.13336	1.7
213.12828	1.0
213.16434	2.7
215.14320	4.3
217.12155	3.6
229.23486	0.9
231.13664	1.0
231.17487	3.2
233.15341	59.8
235.13304	2.2
249.18478	2.0
255.17424	3.6
273.18503	8.6
273.21448	1.4
273.25833	1.4
291.19531	81.8
291.22842	3.3
291.26328	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	291.1069
Annotation	Osmundalin
Peak:m/z	Relative Intensity
50.65764	0.5
53.03921	0.5
53.30310	0.4
54.18140	0.4
55.01873	1.8
55.05518	1.1
57.03429	5.0
59.04995	2.3
60.76453	0.4
61.02913	1.3
67.05486	1.3
68.99788	2.0
69.03413	3.4
69.58408	4.2
71.01358	0.6
76.84105	0.5
81.03413	2.1
83.04959	4.2
85.02891	9.6
87.04448	0.9
91.05473	2.1
93.03346	0.9
95.04440	0.5
95.04951	3.2
97.02872	3.5
99.04469	0.7
101.05997	7.5
105.03409	0.8
105.06972	0.5
107.08617	0.6
109.02871	1.5
111.04448	5.0
115.05422	1.2
119.04919	5.9
121.02922	0.5
123.04408	62.5
124.04758	1.1
127.03913	3.0
129.05460	83.4
130.05745	0.7
133.06479	1.1
135.04407	1.2
136.04689	0.5
137.02341	0.9
137.05937	0.9
139.03879	100.0
140.04233	1.3
143.04897	1.9
145.04944	1.4
147.04388	20.2
151.03891	2.5
153.05353	0.5
161.05949	8.5
163.03909	2.0
165.05455	13.5
169.04938	1.8
177.05452	1.0
179.06970	2.7
189.05434	2.3
207.06512	6.6
223.07614	0.5
224.31926	0.6
231.06642	0.5
249.07532	1.0
273.07538	2.2
273.12314	1.2
291.08536	8.8
291.13281	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.097
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
51.51023	0.9
53.03930	2.1
55.01851	1.1
55.05495	3.5
56.44736	0.9
59.04996	4.7
65.03877	1.1
67.05473	2.8
69.03121	0.9
69.03417	9.2
69.07050	2.5
69.56648	2.6
69.57067	4.7
71.04972	3.6
71.08622	1.2
79.05475	2.1
81.03408	6.3
81.07034	6.0
82.46653	0.9
83.04971	3.2
83.08602	2.9
85.02852	2.4
85.06538	1.1
87.00801	1.0
87.04440	1.3
89.26158	1.1
91.05456	8.2
93.07045	4.4
93.93145	0.9
94.32682	1.0
95.04943	2.6
95.08576	4.1
97.02860	1.5
97.06519	1.3
98.97559	1.2
99.04434	1.5
101.05994	1.3
103.05438	0.9
104.41064	1.0
105.07001	4.4
107.08569	6.2
109.02848	5.1
109.06525	1.9
109.10126	3.0
111.04370	1.1
111.08010	0.9
113.09547	1.2
115.03803	0.9
115.05440	4.7
117.05684	1.1
117.06992	2.4
118.06534	9.2
119.04906	2.0
119.08545	3.4
121.06487	3.3
121.10122	6.0
123.04395	3.9
123.08031	2.6
123.11613	1.4
125.09593	2.1
129.05444	6.7
129.06924	2.4
129.09087	0.9
130.06502	95.9
131.06816	1.6
131.08545	3.2
132.08072	32.4
133.06456	1.2
133.10120	4.8
135.08043	1.8
135.11679	1.9
137.05928	2.5
137.09639	1.1
137.13222	1.1
139.03900	6.6
139.07582	1.0
142.06526	6.8
143.07237	1.1
143.08447	1.1
143.10620	2.4
144.08099	4.7
145.10065	2.6
146.05988	17.8
147.04370	4.2
147.11665	2.1
149.05939	2.1
149.09540	1.6
149.13181	1.0
151.11201	1.6
156.02855	1.0
156.08044	3.6
157.06467	1.3
157.07587	6.0
157.10152	1.6
158.05995	1.1
158.08342	4.5
159.09151	88.2
160.07555	6.6
160.09514	1.4
161.05920	1.8
165.05502	1.8
165.09090	1.8
167.05960	1.7
169.07574	4.5
170.05981	31.0
171.11707	1.3
172.07535	1.3
175.07535	1.5
181.07500	2.1
182.05965	1.4
183.09148	3.8
184.07547	17.0
185.07063	41.4
187.08652	3.3
188.07039	43.5
189.09129	1.8
189.16312	1.8
191.10741	1.2
199.08627	2.6
200.07054	9.3
201.10222	13.7
205.09753	2.0
209.07037	2.0
227.08121	42.9
228.08217	1.3
229.09619	2.9
231.07616	3.0
231.10004	1.0
231.13925	1.1
233.11658	1.3
245.09174	100.0
246.09444	2.1
255.07590	3.6
273.08630	15.9
273.11401	1.4
273.14941	1.2
273.18378	1.5
291.09882	5.5
291.12714	3.9
291.16245	3.6
291.19608	4.5
291.22806	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0859
Annotation	(+)-Catechin hydrate
Peak:m/z	Relative Intensity
54.23199	0.3
55.01857	1.4
59.04993	0.8
65.03926	0.9
67.05486	1.3
68.09241	0.3
68.99780	1.4
69.03422	0.4
70.03191	1.3
83.04972	1.3
83.48766	0.3
85.02906	0.3
91.05477	1.0
93.03405	0.7
95.04963	2.5
97.02864	0.4
101.06026	0.4
105.06995	0.4
109.02876	0.4
111.04428	1.8
115.05424	0.8
119.04930	4.0
123.04411	60.2
124.04752	1.1
127.03884	0.9
129.05513	0.9
133.02898	0.3
133.06441	0.8
135.04390	0.3
137.02312	0.6
137.05931	0.9
139.03882	100.0
140.04236	2.6
143.04922	2.4
147.04391	18.3
148.04813	0.4
151.02892	0.3
151.03918	2.2
151.07520	0.5
153.05421	0.5
159.04388	0.4
161.05949	6.5
163.03923	1.7
165.05460	17.1
166.05737	0.5
169.04919	1.8
177.05434	0.8
179.06956	2.3
181.04971	1.0
188.09506	0.3
189.05458	1.5
207.06502	6.1
249.07530	1.6
273.07462	1.7
273.12201	0.5
280.12436	0.3
286.66940	0.3
291.08585	10.4
292.09094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24584	0.3
55.01859	1.5
55.05502	0.4
59.04988	3.8
63.01572	0.2
65.03930	0.9
67.05492	1.4
68.99780	1.7
69.03414	0.8
69.99625	0.2
70.21605	1.0
71.99252	0.2
77.03897	0.4
81.03403	0.4
83.04948	0.9
85.02896	0.6
91.05470	1.4
93.03406	0.6
95.04964	2.5
96.04585	0.3
97.02848	0.8
99.04443	0.5
101.06013	0.8
103.33109	0.3
105.03358	0.5
107.04956	0.4
109.02834	0.4
111.04444	2.8
115.03899	0.3
115.05457	1.0
119.04931	5.6
121.02868	0.4
123.04411	60.5
124.04734	0.8
127.03928	1.0
129.05463	4.3
133.06427	0.7
135.04393	0.9
137.02312	0.8
137.05972	1.3
139.03882	100.0
140.04247	1.8
143.04909	2.5
147.04391	18.7
148.04703	0.4
149.05939	0.3
151.03876	2.4
151.07538	0.4
153.05411	1.2
153.64801	0.3
157.06467	0.3
161.05968	6.4
163.03906	1.6
165.05458	16.0
166.05800	0.4
169.04878	1.7
177.05490	0.9
179.06966	2.8
181.04962	0.8
189.05440	1.7
203.07149	0.4
205.08662	0.3
207.06494	6.7
208.07037	0.3
249.07483	1.4
273.07498	1.8
273.12259	0.7
291.08609	9.1
291.13361	1.0
291.19534	0.4
292.08966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1746
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.05499	1.2
56.05030	3.6
56.96536	0.5
57.07064	3.6
58.06599	2.3
60.04503	0.5
65.03930	1.4
67.05495	9.2
69.07060	4.0
71.08613	1.6
71.62572	0.4
71.62960	0.5
74.06071	4.0
78.14021	0.4
79.05476	2.1
81.07047	1.8
81.42868	0.4
82.06570	2.7
83.04980	1.1
83.08620	0.7
84.55544	0.3
85.10170	0.4
86.06043	0.5
88.07617	11.3
91.05463	0.8
93.03392	1.4
93.07030	3.0
93.81851	0.5
95.08577	1.4
97.06519	1.8
105.07007	0.7
107.08565	3.1
109.10136	0.6
109.11707	0.4
110.06029	32.2
111.04436	7.7
118.08644	2.0
122.08150	1.8
123.04417	1.9
133.10120	0.8
135.11655	3.9
137.05931	0.4
138.05482	100.0
139.03880	1.0
139.05803	1.0
153.12762	0.6
163.07521	1.1
168.13809	0.7
226.11066	0.6
228.23241	0.8
242.24762	14.2
272.25925	0.6
273.14795	0.4
290.17603	5.9
290.26852	41.4
291.19727	0.6
291.26978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.3
56.96556	6.8
57.03434	2.4
58.06590	2.3
69.03419	4.8
70.06572	3.2
70.27535	6.1
71.04993	2.0
71.06910	1.3
73.02892	3.0
74.77937	1.4
75.36378	1.3
81.03371	1.3
84.29420	1.3
85.02905	9.2
93.59805	1.3
97.02879	6.6
98.21405	1.8
98.97577	3.2
101.00870	3.0
103.00630	4.3
103.02438	2.5
105.37765	1.6
109.02869	1.9
110.70890	1.2
111.04420	1.6
111.05572	4.4
113.00859	1.8
114.05560	2.4
115.02402	2.4
116.98589	1.8
117.02200	2.3
119.01915	15.5
120.02048	1.3
121.01659	23.5
121.02436	1.5
123.04440	4.0
127.03914	4.0
128.07022	3.3
129.04002	2.9
129.05460	5.9
129.06535	2.4
131.01877	7.1
133.01643	2.9
133.03474	4.2
135.03217	7.4
137.02962	2.5
137.05949	2.5
139.02695	5.5
139.03889	7.5
143.00172	2.8
143.01884	3.3
145.01611	3.1
145.03467	5.8
145.04909	1.9
146.99576	1.5
147.05090	10.5
149.02875	1.6
149.04753	2.7
153.01848	4.0
153.04242	1.7
155.01895	2.4
157.03471	3.8
159.04980	1.7
161.01250	6.2
161.02899	9.3
162.03156	1.6
163.02658	11.2
163.04515	1.7
165.06024	5.6
167.07024	1.9
169.03416	3.7
170.99649	1.6
171.04979	4.3
173.01392	1.9
173.02956	5.5
173.06621	1.9
175.02776	2.6
175.04605	4.2
181.05490	2.2
183.05040	1.7
185.02954	2.2
185.06656	2.2
187.02739	2.4
187.04497	3.7
189.00673	6.4
189.02408	2.1
189.06076	13.3
191.02203	3.2
193.03830	3.3
193.05605	1.5
198.99149	1.7
201.00607	2.0
201.06064	15.8
203.02260	1.7
203.04041	3.8
203.07675	4.0
205.00093	1.4
205.03751	3.1
205.05640	3.9
207.01802	2.9
209.03242	2.4
213.06239	1.8
215.10358	2.4
217.00046	7.2
219.01720	2.8
221.05078	5.7
223.01315	2.8
223.06621	4.5
225.06073	4.9
231.01590	2.5
231.03636	2.0
231.07100	3.4
237.08160	2.6
247.06755	1.9
249.02686	9.3
250.06717	2.2
259.03018	1.9
259.12967	2.2
261.08414	1.6
267.03796	2.6
268.07941	4.1
273.08185	4.6
291.10284	100.0
292.09061	1.6
299.09851	3.7
309.10388	3.4
311.09445	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2521
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03929	2.6
53.43582	0.9
55.01853	1.8
55.05256	1.2
55.05503	16.6
55.60282	0.9
57.07060	7.9
59.04993	1.7
60.40096	1.0
67.05498	32.4
69.03404	2.8
69.07059	54.0
69.44584	3.9
69.45016	4.6
70.07413	1.0
71.04976	3.8
71.08609	3.6
79.05482	17.6
81.03397	1.6
81.07045	86.8
82.07335	1.4
83.04971	2.4
83.08614	16.7
85.06528	2.9
91.05476	13.1
93.07033	51.8
95.04967	6.9
95.08596	100.0
96.08942	1.1
97.06495	5.9
97.10164	6.9
99.08067	2.0
105.07018	29.3
107.08586	35.2
109.06480	3.7
109.10143	48.5
111.08081	6.3
111.11687	9.6
113.09652	1.2
117.07007	3.9
119.07777	2.0
119.08568	24.4
121.06463	2.7
121.10128	66.5
123.08041	3.7
123.11694	24.9
125.09612	2.0
125.13271	1.3
127.11192	1.5
131.08546	9.4
133.10123	19.7
135.08029	2.8
135.11673	24.4
137.09564	4.4
137.13235	12.0
139.11133	4.9
141.06876	1.2
143.08476	1.4
145.10109	11.6
147.11656	16.6
149.09599	1.4
149.13246	25.1
151.11171	4.8
151.14815	8.5
159.11661	13.7
161.13231	15.0
163.11150	4.8
163.14807	11.6
165.12726	8.5
165.16408	1.0
168.25011	1.1
173.13251	8.6
175.14816	9.7
177.12744	2.6
177.16359	7.2
179.14230	3.7
187.11140	1.1
187.14752	7.4
189.16357	8.2
191.17972	3.4
193.15845	1.4
201.16370	6.7
203.17940	4.5
205.15891	1.1
207.17542	1.4
211.07613	1.3
215.17921	11.5
217.12314	1.3
217.19516	1.6
219.17490	1.8
219.21140	2.0
229.19493	3.2
231.21126	1.3
233.18991	2.8
235.13216	1.8
245.22585	4.5
253.14462	1.4
261.25781	1.5
271.17035	1.5
271.24176	33.4
289.10693	3.8
289.25217	93.5
290.25595	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	289.2521
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03920	1.6
55.01838	1.7
55.05495	15.3
57.03394	1.4
57.07067	7.7
59.04998	1.4
59.89754	1.1
67.05167	2.3
67.05494	29.6
69.03410	8.3
69.07056	53.8
69.41228	11.2
71.04961	2.1
71.08606	3.0
79.05051	1.8
79.05479	26.3
81.07041	97.8
82.07361	1.2
83.04950	1.5
83.08609	14.1
85.06515	3.9
91.05472	17.6
93.07024	53.9
95.04957	7.6
95.08589	79.0
97.06499	7.1
97.10173	6.5
99.08056	6.2
102.52712	1.3
105.07009	32.4
107.08573	52.5
109.06483	4.7
109.10136	51.3
111.08076	4.7
111.11677	4.0
113.09602	3.1
117.06985	4.8
119.08557	25.6
120.08082	3.7
121.06494	3.5
121.10126	42.2
123.08068	2.7
123.11690	28.5
124.07553	2.7
125.09584	3.9
131.08560	8.3
133.10103	30.1
134.05945	1.3
134.10349	1.6
135.08006	1.4
135.11673	28.6
136.07530	2.0
137.05968	2.4
137.09557	2.7
137.13289	8.5
138.86551	1.2
139.11156	34.5
141.06941	2.0
145.10098	17.1
146.05917	1.5
147.04402	1.6
147.11655	23.3
148.07553	2.4
149.13220	25.7
151.11153	3.7
151.14825	2.3
153.01758	1.5
153.12698	5.0
158.07202	1.3
159.08073	2.0
159.11671	19.1
161.13220	25.5
161.14555	1.6
163.11111	2.9
163.14813	26.6
164.07039	22.9
165.12717	13.6
171.11569	1.8
173.13219	11.2
175.14783	11.8
177.16350	5.4
177.17870	1.2
179.14250	4.1
187.07455	3.3
187.14790	11.5
189.16342	7.1
191.17929	5.1
193.15907	2.1
195.17473	2.0
198.09703	1.4
199.11215	1.7
201.16344	9.7
203.17921	3.9
205.15724	1.9
215.07014	4.3
215.17952	19.5
217.12202	3.9
219.17384	3.7
226.64801	1.4
229.08496	2.3
229.19431	3.7
231.20981	1.7
233.18877	3.5
235.13245	2.7
245.07623	1.5
245.22562	3.1
247.09619	2.8
271.09576	1.5
271.14380	4.8
271.24142	41.7
289.06909	1.3
289.10666	6.4
289.15363	17.1
289.25204	100.0
290.15860	1.8
290.25598	5.5
291.30423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1641
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
55.01867	5.0
55.05497	12.1
56.10182	2.2
58.30629	2.5
63.10442	2.2
67.05488	18.6
67.63739	2.4
69.03407	9.2
69.07064	17.1
69.64524	17.2
71.04973	10.8
71.72813	2.4
79.05486	16.1
81.03425	14.2
81.07047	50.1
83.04949	12.4
83.08599	5.3
85.06535	20.4
91.05466	15.4
93.07030	63.4
95.04952	15.7
95.08597	31.0
97.06516	32.0
99.04443	20.0
105.07021	35.7
107.04922	4.7
107.08568	35.7
108.05790	2.1
109.06499	28.1
109.10154	11.9
111.08072	18.7
113.05974	6.4
119.08567	23.6
121.06487	82.9
121.10101	12.9
123.08034	5.6
123.11668	14.2
125.05971	10.9
127.03907	3.7
127.07543	11.9
129.07007	5.2
131.08557	7.4
133.06468	3.9
133.10101	21.4
135.04404	3.9
135.08040	14.8
135.11685	4.8
137.05984	3.3
139.07510	26.7
139.11096	2.6
141.05489	2.6
142.07779	4.6
143.07013	9.0
143.08565	3.4
145.10077	8.1
147.08105	4.9
147.09142	5.0
147.11661	50.8
149.13284	3.0
151.11159	7.8
153.01810	5.5
157.08771	12.5
157.09999	14.3
159.06566	3.2
159.08003	2.8
161.09621	3.3
161.13222	12.6
165.12779	18.0
169.12181	12.0
171.11758	14.8
173.09544	3.2
173.13293	3.1
175.08694	6.7
175.11145	35.2
181.10037	2.6
189.12692	20.3
191.08179	8.5
193.12212	33.8
199.11174	23.5
207.13759	20.6
211.13229	28.8
217.12190	89.0
217.14267	4.7
229.14362	10.4
235.13257	100.0
236.13635	5.4
253.14320	60.7
271.15671	2.8
289.03613	2.8
289.06818	2.8
289.11923	20.1
289.25220	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	289.164
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
50.95554	1.6
53.03939	2.9
55.01853	3.8
55.05502	19.8
57.03421	3.9
57.07047	6.5
59.04976	1.9
65.03922	2.9
67.05499	27.4
69.03401	7.7
69.07059	42.9
69.99212	6.1
69.99619	2.9
70.07314	1.7
70.32659	1.4
71.04980	10.9
71.08612	2.2
71.14864	1.5
79.05480	28.8
81.03387	3.5
81.07048	92.5
83.04966	13.7
83.08619	11.7
85.02876	1.7
85.06117	1.4
85.06544	13.3
91.05467	23.7
93.07030	80.1
95.04962	20.3
95.08595	63.9
97.02887	1.9
97.06512	34.8
97.10155	2.8
99.04425	9.1
99.08056	2.4
105.07016	50.2
107.04948	5.8
107.08582	53.3
109.02847	3.9
109.06497	30.8
109.10137	33.1
111.04431	3.5
111.08072	20.3
111.11668	3.5
113.05981	4.9
115.05389	1.7
115.07568	1.9
116.88071	1.5
117.06995	3.2
119.04916	3.3
119.08562	37.3
121.06489	82.6
121.10130	30.5
123.04410	4.9
123.08042	6.5
123.11687	25.1
125.05969	6.9
125.09566	1.8
127.03905	3.0
127.07556	11.2
129.06995	4.2
131.08569	10.1
133.06482	3.1
133.10104	32.3
135.04381	6.7
135.08058	13.0
135.11668	22.4
137.05988	7.9
137.09599	3.8
137.13252	6.5
139.07523	27.5
139.11131	8.9
141.05464	3.1
141.06964	1.9
142.07741	5.8
143.07039	7.3
143.08527	7.0
145.06448	3.2
145.10103	14.9
147.07991	5.1
147.10486	2.6
147.11673	52.0
148.11995	2.0
149.05954	1.6
149.09526	2.6
149.13248	16.7
151.07512	6.8
151.11122	9.9
151.14813	2.1
153.09090	2.8
153.12709	1.7
155.08533	3.7
156.09291	3.5
157.06537	2.9
157.08585	14.6
157.10110	16.7
159.06581	2.5
159.07977	2.5
159.11676	8.3
161.09645	3.6
161.13231	17.0
163.07492	5.4
163.11179	3.3
163.14752	10.3
165.12726	27.7
169.06483	2.1
169.12167	10.1
171.11659	17.2
173.09560	3.0
173.13214	7.2
174.49695	1.6
175.07579	2.9
175.11157	34.9
175.14841	5.5
177.09082	2.3
177.16359	4.6
179.14287	3.4
181.10083	2.5
183.07968	2.5
183.11568	1.8
187.14810	4.1
189.09102	2.5
189.12723	16.4
189.16350	4.9
191.10626	2.6
191.14336	3.3
191.17923	3.0
193.12231	29.9
199.07567	2.2
199.11162	26.4
201.16377	5.7
207.13744	18.1
207.17493	2.8
211.13254	34.2
215.17947	8.5
217.12213	100.0
217.19539	1.8
218.07228	1.9
218.12541	4.4
220.52953	1.7
229.08525	2.6
229.12259	2.4
229.14400	6.5
233.19014	1.9
235.13257	94.1
236.13577	4.9
245.22629	3.9
253.14319	54.4
271.15262	2.4
271.24210	19.3
289.05917	15.1
289.10880	12.6
289.14960	6.6
289.18076	5.4
289.25220	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	289.0915
Annotation	Dianthoside
Peak:m/z	Relative Intensity
52.69672	0.2
53.03930	0.6
55.01852	0.4
56.96543	0.4
57.03420	0.4
60.42101	0.2
61.02924	1.0
65.03914	0.2
66.56071	0.2
69.03420	1.9
71.04971	0.5
71.36761	0.4
73.02896	0.5
76.92233	0.2
79.05495	0.2
81.03400	1.1
85.02890	5.4
86.09686	0.2
87.04443	0.3
90.14832	0.2
91.03934	0.3
91.05463	0.2
97.02885	1.6
99.04415	0.4
107.04946	0.2
109.02871	1.2
111.04441	0.4
111.05524	0.3
123.04390	1.0
127.03898	100.0
128.04245	1.9
135.04413	1.2
139.03888	2.4
141.92935	0.2
143.03395	0.2
145.04953	0.8
151.03899	0.5
153.01804	2.0
163.03902	0.4
171.79640	0.2
237.02841	0.2
271.16602	0.3
289.07059	0.5
289.12213	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0699
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
53.03936	0.7
55.01854	1.1
60.02906	0.7
65.03919	1.8
65.55712	0.6
67.01820	1.0
67.05479	1.6
68.99767	4.1
69.03404	2.9
69.07041	1.9
71.04971	1.2
71.61792	1.1
79.05459	1.8
80.14607	0.6
81.03403	1.6
81.07028	2.6
83.04917	0.9
85.02879	1.8
85.06532	10.9
91.05470	4.0
93.07011	1.6
95.04952	2.0
95.08540	1.2
96.08163	0.7
97.02879	1.6
97.06531	1.5
98.98421	0.7
99.04430	1.0
99.08099	0.8
103.05471	0.7
105.07003	1.5
107.04935	26.3
107.08556	1.3
108.55040	0.7
109.02834	1.9
109.06496	1.1
109.10098	1.0
109.72681	0.6
111.04417	2.4
116.07106	0.7
117.07028	0.9
119.04952	3.3
119.08556	1.4
121.02832	7.8
123.04396	3.6
123.08069	0.8
124.07562	0.7
127.03899	3.8
127.07544	1.1
129.06995	1.4
130.06549	0.9
131.04884	1.5
131.08492	1.4
133.10129	1.1
135.04375	7.1
135.08046	0.9
137.05949	0.9
139.03891	3.2
141.06969	3.6
145.02805	1.5
145.06410	1.8
145.08536	1.1
147.04390	1.2
147.08025	2.0
149.02316	70.4
149.08398	1.1
149.09552	1.6
150.02698	1.1
151.03871	0.9
151.07492	0.9
153.01799	29.8
159.04370	1.5
159.08011	1.6
163.03839	2.1
163.07513	1.1
167.03441	3.5
167.07106	1.0
169.06477	6.0
171.02832	2.4
173.05930	1.1
173.09596	0.8
175.54593	0.6
181.06429	1.0
183.11665	0.8
185.05861	0.9
187.03671	0.7
187.07526	2.2
195.02864	2.0
197.05923	7.2
200.04543	0.8
213.05495	0.7
215.06992	69.5
216.07281	1.5
225.05443	0.7
229.05106	1.0
229.09659	1.0
229.12039	1.3
232.62274	0.7
239.07027	1.6
243.06487	100.0
244.06827	2.0
244.13220	0.7
253.04904	2.0
253.13434	0.7
257.07974	0.8
259.05948	1.0
271.05972	39.7
271.14191	1.5
272.12366	1.2
289.07074	6.7
289.11624	4.1
289.15338	8.4
289.18924	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01857	0.8
55.47400	0.7
56.96551	2.8
57.03425	1.6
57.24791	0.6
58.99842	1.3
61.02908	1.6
69.03416	3.8
69.80987	1.2
69.81395	2.4
71.04975	1.2
73.02908	1.6
75.40163	0.6
77.00896	1.6
81.03408	1.4
82.99871	2.0
85.02899	4.9
87.04462	1.4
97.01386	0.8
97.02881	4.3
98.03264	0.6
98.20756	0.7
98.21336	1.3
98.97568	6.3
101.00864	23.4
102.00942	1.2
105.00307	0.8
106.02831	0.7
109.02869	0.7
110.97532	0.9
112.99129	1.7
113.00868	2.1
115.02412	13.3
116.98602	4.8
117.03941	1.6
119.01907	100.0
120.01984	3.5
120.96661	0.6
121.03319	0.6
126.05414	0.9
126.98772	0.8
127.02415	0.6
127.03881	1.9
127.04974	0.8
127.05893	0.7
127.08665	1.7
128.98573	0.9
129.03951	5.1
131.00183	1.8
131.01894	11.6
131.02823	1.0
131.05525	2.7
133.03448	32.1
134.03561	1.3
134.99658	1.9
135.05028	2.2
137.02942	26.4
138.03056	1.2
141.00343	0.8
142.03496	2.2
143.00166	0.8
143.01891	13.1
144.99817	3.3
145.01701	1.0
145.03448	6.4
146.03568	0.8
147.01358	2.5
147.05045	6.3
149.01183	0.9
149.02954	2.8
149.06604	5.7
151.04518	5.9
153.01817	3.2
155.01910	1.8
157.03410	3.2
158.99693	0.9
159.01395	1.6
159.05031	1.4
161.02942	52.0
161.06537	7.0
162.03070	3.1
163.02832	1.0
163.04494	3.3
168.99796	6.4
169.03391	0.8
169.54544	1.0
170.99956	1.2
171.01315	6.3
171.05017	1.2
172.99232	0.7
173.02945	10.4
173.04353	0.6
175.00896	2.1
175.03038	0.8
175.04472	3.2
177.00911	1.8
177.02463	1.9
177.04111	0.7
178.04935	3.2
178.55013	3.3
179.02516	0.7
179.03914	3.3
179.07631	2.9
181.03580	0.7
184.04617	1.4
185.02942	3.4
187.00851	23.0
187.04486	4.4
188.04579	1.3
189.02431	12.2
189.04077	1.1
189.06111	1.2
190.95403	0.8
191.02359	1.4
191.03990	10.4
193.02010	1.2
196.99283	3.0
199.00861	10.2
199.02731	0.9
199.04562	2.3
201.02449	3.0
203.00389	1.2
203.04024	2.5
205.01917	11.8
205.03844	0.7
205.05513	0.7
207.03496	3.9
207.05226	1.4
207.57234	1.8
209.05128	0.7
210.02556	0.8
211.04665	0.8
215.00334	23.4
216.00583	0.7
217.01936	25.1
217.03862	1.2
219.01773	1.2
219.03525	7.6
219.38721	0.6
221.01575	0.9
221.05124	1.1
223.02977	1.9
227.04124	1.1
229.01921	9.2
229.05522	5.0
231.03531	3.0
233.01276	3.4
234.99831	0.7
235.03009	2.7
237.04675	1.1
238.01830	0.9
240.03499	1.1
245.05325	0.9
247.02974	30.0
248.06766	4.3
251.02519	1.1
257.02277	0.9
257.05045	8.5
259.02997	2.2
263.02505	1.2
265.04019	8.6
265.07037	0.8
266.07889	8.9
270.04688	1.1
274.97510	1.5
277.04034	5.2
288.59729	1.9
289.04047	10.5
289.07617	10.1
289.14325	1.0
292.98459	1.4
293.03632	0.9
307.05109	9.2
307.08572	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
55.05488	0.7
56.96548	0.9
57.03429	4.1
58.99850	1.8
59.04988	0.5
59.36635	0.6
61.02685	0.5
61.02919	5.6
67.05476	0.7
69.03423	7.9
69.47699	4.9
70.06584	1.5
70.37149	0.5
71.04984	0.7
73.02910	6.8
77.00890	2.1
79.30987	0.5
81.03394	2.3
81.04535	7.0
82.99863	2.5
83.04942	1.3
85.02409	0.9
85.02895	13.5
86.03218	1.6
86.99270	0.7
87.04433	0.6
89.00861	0.6
91.03954	1.0
97.01391	1.3
97.02875	4.8
98.21506	1.0
98.97567	1.3
99.04447	2.0
101.00864	24.3
101.85474	0.5
102.00961	1.8
103.02457	1.1
104.10680	0.6
105.00364	0.8
109.02863	1.7
111.04408	2.1
113.00858	1.4
115.02415	14.8
117.03989	1.6
119.01902	100.0
120.01991	8.0
121.01656	1.6
121.03471	0.7
123.04420	2.0
126.05466	0.6
126.98734	0.8
127.02402	1.6
127.03900	20.6
127.05013	15.8
127.08633	2.0
128.04265	0.8
129.03029	1.1
129.03943	5.0
129.05457	1.2
131.01891	12.2
132.01961	1.0
133.03448	31.3
134.03528	1.7
135.04358	2.2
135.05144	1.4
137.02934	27.6
138.03142	2.1
139.03891	3.7
142.03461	2.9
143.01875	11.9
143.03523	0.7
144.01988	1.8
144.03415	0.8
144.99800	3.6
145.01634	0.7
145.03427	8.6
145.04826	2.8
146.03548	1.5
147.01393	2.0
147.03990	0.6
147.04997	6.3
148.03845	1.3
148.04959	0.6
149.02963	3.1
149.06549	0.6
151.04565	5.8
153.01852	4.5
153.04007	1.1
155.01878	3.1
156.01959	0.9
156.05051	0.6
157.01616	0.7
157.03452	3.7
157.04666	0.7
157.99873	0.6
158.03642	2.2
158.99684	0.7
159.01379	1.5
159.05038	1.0
161.02934	39.9
162.03093	6.7
162.04504	1.7
163.02654	1.7
163.04396	2.1
167.01990	0.9
168.99806	7.4
169.03468	2.9
169.05112	0.8
170.03600	3.3
171.01340	6.0
171.05066	1.5
172.05258	0.6
173.02946	12.1
174.03061	2.1
174.04535	1.3
175.00902	1.6
175.02805	1.1
175.04440	3.6
176.04678	2.1
176.56079	0.7
177.00899	0.8
177.02394	2.1
177.04031	0.9
177.06020	1.1
179.03972	3.9
180.99782	0.9
183.05008	2.9
184.04668	2.0
184.99373	1.1
185.02943	6.8
185.56728	0.6
186.03099	2.5
186.04631	0.8
187.00862	24.1
187.02596	1.3
187.04456	4.8
188.01088	0.9
188.04662	4.9
189.02429	10.8
189.06195	0.8
190.02922	0.7
190.05872	2.9
191.03981	11.5
191.56801	0.6
192.05571	1.8
193.01949	1.0
195.03549	1.1
196.99258	4.4
197.02977	0.7
197.54889	0.8
198.04398	0.5
198.05547	2.0
198.55579	1.6
199.00865	8.7
199.06462	5.3
199.56445	1.1
201.02480	4.8
203.00385	0.9
203.03964	7.3
204.04210	2.1
205.01915	17.4
205.03810	1.1
205.05597	1.0
206.02150	0.7
206.05835	0.7
206.55360	1.4
206.57188	0.8
207.03450	3.6
207.05260	6.5
208.05965	1.0
210.02420	1.2
213.02399	1.2
214.05750	1.0
215.00337	30.6
215.03813	1.2
216.00607	1.1
217.01900	13.3
217.05580	1.6
219.01587	1.0
219.03500	12.6
221.05038	3.7
223.03004	3.8
223.06772	0.8
227.00281	1.1
227.03996	0.8
228.03439	0.7
229.01909	10.3
229.05518	1.1
231.03531	2.8
233.01456	4.6
235.02977	1.6
235.06697	0.8
237.04568	1.1
238.01974	1.7
240.03395	0.9
245.01447	1.5
245.05099	1.8
247.02966	39.6
247.06741	2.3
248.03218	1.4
248.06772	15.9
249.06549	1.4
251.02444	0.7
257.05008	2.2
259.02936	4.3
261.08038	0.6
263.02530	1.4
265.04044	11.2
265.07632	3.7
266.07843	30.3
267.07458	2.1
268.87927	0.6
270.04623	2.1
271.02655	0.8
271.06390	0.7
275.02695	0.7
275.06061	1.0
277.03940	5.3
277.06439	0.7
288.05905	0.6
289.04025	9.6
289.07590	5.6
289.12241	0.8
289.14954	1.5
294.07404	1.1
295.07227	0.9
307.05090	5.9
307.08630	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93993	0.6
53.03935	0.7
55.01868	0.7
57.03415	3.1
65.03871	0.7
69.18845	0.7
70.74794	1.9
74.67116	0.6
78.04693	0.6
79.05464	4.9
81.03393	1.3
91.05460	3.1
95.04939	2.1
103.05457	7.1
105.07008	5.0
107.04937	51.1
108.05258	0.8
115.05410	1.9
117.06976	1.6
120.05695	1.6
121.06479	1.0
123.04408	2.9
124.05172	2.8
129.80122	0.7
131.04900	2.6
133.06476	2.0
135.08031	13.9
137.05962	1.0
140.60619	0.7
145.07509	1.6
148.05106	0.7
149.05992	1.0
152.04659	2.0
154.06229	2.5
163.07521	36.0
165.05452	1.2
165.09123	1.0
167.07013	100.0
168.07483	1.6
180.07793	2.8
181.08609	1.3
193.08568	3.3
195.08334	1.5
195.10150	31.1
211.09648	5.6
212.10550	0.8
213.11183	43.4
261.10114	0.7
287.05423	1.4
287.14819	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1386
Annotation	Levcromakalim
Peak:m/z	Relative Intensity
51.76658	1.1
53.03946	2.0
55.05505	3.6
59.04992	1.2
63.00067	1.2
67.05487	4.1
69.03407	3.2
69.07059	47.3
70.06573	1.6
71.04976	1.5
75.17486	1.1
79.05478	4.4
81.03394	4.0
81.07047	6.4
83.04968	3.3
84.06212	1.1
85.06505	2.1
86.09683	3.3
91.05455	6.5
93.07027	4.5
94.06564	4.7
95.04956	3.4
95.08607	2.7
97.02895	2.8
97.06509	4.1
99.04430	1.4
103.05463	1.8
105.03361	1.4
105.07038	3.3
107.04922	4.5
107.07352	1.5
107.08600	3.0
109.02917	2.5
109.06508	1.5
109.10154	1.4
110.06042	1.7
112.07564	2.2
113.05996	1.1
115.05426	2.4
117.07066	1.5
118.06525	18.3
119.07300	3.5
119.08562	2.4
120.08101	6.1
121.06512	1.3
121.10110	2.1
122.06024	8.4
123.04443	1.5
124.07564	2.6
125.02332	2.6
125.04317	1.5
125.05981	2.4
125.09657	2.0
128.06241	1.4
129.06999	1.5
131.07303	2.0
131.08498	1.2
132.08107	1.6
133.08882	2.4
133.10043	2.1
135.04407	2.3
135.08063	2.7
136.32703	1.1
137.05905	4.2
140.07045	60.3
141.06985	1.9
143.07106	2.5
143.10609	1.5
144.08084	3.7
145.10120	4.5
146.05997	10.0
146.09654	1.7
147.06757	8.8
147.11694	1.5
148.07545	31.6
149.05890	1.4
149.08139	1.3
153.01822	2.9
154.07779	1.8
156.08128	1.4
157.06494	1.5
157.08751	1.8
158.09598	2.9
159.10382	1.4
160.07576	1.6
163.07521	2.9
164.07065	3.3
167.07068	4.2
167.08571	3.3
168.08051	1.7
170.09637	3.1
171.10426	4.4
172.07610	1.9
172.11203	1.6
173.09567	1.7
174.05536	5.2
174.09151	4.2
181.08835	1.3
182.09750	1.3
183.10486	1.8
184.07555	1.9
184.11221	1.3
186.09132	6.7
186.12758	1.5
188.10701	5.1
189.11429	8.6
195.08072	4.1
195.10085	1.3
196.11272	2.8
197.05907	1.5
198.09177	3.2
198.12846	1.3
199.03976	1.8
199.09921	10.4
204.59818	1.2
212.10638	2.7
213.05484	2.0
213.11374	3.2
214.08760	2.7
214.12250	20.2
216.13779	1.5
224.10666	3.6
226.12286	12.8
227.07069	1.6
227.09137	1.7
228.12534	1.5
241.13310	3.7
242.11737	59.2
243.12332	3.0
243.14896	60.2
245.04601	1.6
250.06789	1.2
254.10571	1.4
255.10043	2.4
259.14301	1.6
269.04361	1.2
269.08835	1.2
269.10025	1.9
269.12753	14.5
270.11212	100.0
271.11496	1.5
287.05511	19.5
287.09421	5.4
287.13864	62.6
287.23621	3.2
288.05905	1.5
288.14319	1.5
305.14948	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	287.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30153	1.2
52.96593	1.2
55.01866	1.8
55.05501	6.0
57.03427	1.5
59.04982	1.9
65.03935	1.1
67.05486	4.8
68.24549	1.1
68.99769	3.6
69.03413	3.9
69.07056	42.8
70.06585	1.5
71.04962	2.4
71.38560	2.7
74.06075	1.9
79.05485	6.6
81.03416	6.5
81.07055	6.8
83.04958	4.7
83.08607	1.8
84.45419	1.2
85.02898	3.2
85.06529	2.4
86.09690	4.3
87.10022	2.6
91.05459	5.6
93.07047	4.7
94.06540	5.3
95.04935	5.3
95.08620	2.4
97.02874	2.3
97.06517	7.0
97.10172	3.1
101.06021	1.5
103.05472	3.0
105.07018	3.0
106.06546	1.6
107.04933	5.4
107.07337	1.5
107.08588	3.8
109.02875	3.5
109.06531	1.5
109.10155	2.0
111.00751	1.9
112.07549	2.2
116.04938	2.1
117.06969	2.1
118.06520	18.3
119.07301	3.6
119.08582	1.8
120.08067	4.5
121.02811	3.0
121.06512	2.7
121.10132	2.9
122.06004	7.2
123.04463	1.7
123.08032	1.2
125.02361	2.6
125.04205	1.4
125.05964	5.3
125.09625	2.9
127.03896	2.5
128.06168	1.7
129.06975	2.0
130.06558	1.7
131.07294	1.8
131.08549	2.1
132.08070	1.7
133.08885	1.6
133.10109	2.1
135.04431	2.2
135.08040	3.7
135.11664	1.4
137.05931	4.0
137.09612	1.4
140.07042	54.5
141.06947	1.5
142.08676	1.4
143.03384	1.4
143.07050	3.2
144.08029	4.0
145.10146	3.1
146.05984	9.7
147.04399	2.3
147.06779	7.9
147.07845	1.4
148.07544	34.1
149.05956	1.7
153.01797	3.4
153.06972	1.9
154.07809	1.6
156.08067	2.1
157.06396	2.4
158.09633	3.2
159.11694	1.5
163.07498	3.8
164.07045	3.9
167.07062	4.2
167.08519	3.2
168.08051	1.7
169.10071	1.6
170.09648	2.7
171.06682	1.5
171.10426	2.9
172.11208	1.9
173.09624	2.4
174.05475	3.4
174.09137	3.1
175.03828	1.5
181.08873	2.6
183.08063	1.4
183.10345	2.0
186.09123	5.4
186.12759	2.6
188.10687	4.4
189.11427	8.9
195.08037	3.5
195.10225	1.8
196.11195	3.3
197.05984	1.6
198.09116	4.7
198.12785	2.0
199.03900	1.4
199.09871	10.7
210.09180	1.7
211.10052	1.2
212.10728	2.5
213.05484	1.9
213.11354	4.5
214.08701	1.8
214.12216	15.9
223.07457	1.8
224.10655	3.0
226.12306	14.0
227.10625	4.2
228.12326	1.4
241.09648	2.4
241.13319	3.6
242.11707	59.9
243.12399	2.1
243.14893	59.8
254.10513	1.5
255.10017	4.4
259.14340	1.5
269.04553	1.5
269.12781	14.2
269.18451	1.8
270.11194	100.0
271.11478	3.0
287.02209	1.8
287.05487	34.6
287.09799	6.8
287.13828	58.8
287.23560	2.6
288.05902	2.6
288.14120	1.6
305.14954	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	287.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
53.67726	0.9
55.05504	1.6
57.03414	1.2
65.03950	1.5
67.05485	3.8
69.03408	2.3
69.07059	14.4
71.04984	1.6
71.61434	1.0
78.04701	1.1
79.05489	5.9
80.05000	1.9
81.03405	2.1
81.07039	2.2
83.04984	1.8
85.02890	1.8
91.05473	9.4
93.05757	2.8
93.07022	2.4
94.06565	13.0
95.04936	4.8
95.08613	1.1
97.06504	7.2
103.05472	2.6
104.04964	4.3
105.07010	2.7
106.06564	1.6
107.04942	18.1
107.14866	1.0
109.10105	1.0
110.06023	4.6
111.08112	1.0
112.07583	3.5
115.05415	1.7
116.04964	2.6
117.05813	1.2
117.07039	1.3
118.06525	100.0
119.07319	19.9
119.08554	2.2
120.05687	1.1
120.08102	9.4
122.06012	24.7
123.04413	2.3
123.08035	1.9
124.07559	2.1
125.02342	3.9
125.05980	2.9
128.06114	1.4
129.07094	0.9
132.08046	1.4
133.06422	1.1
133.08858	1.3
134.06029	1.4
135.08087	6.2
135.09032	1.6
137.05891	1.3
140.07042	20.8
142.08592	3.3
143.07077	1.2
144.08060	2.3
146.05991	43.5
147.06781	33.4
148.07550	45.6
156.08043	1.3
163.07503	12.0
164.06992	6.9
167.07014	33.8
169.06451	1.2
170.09688	1.5
171.10429	2.8
172.11147	1.6
174.05423	1.4
174.09151	3.1
180.07892	1.7
181.08722	2.4
182.09659	1.9
183.10368	1.5
184.11194	1.2
186.09113	3.0
186.12831	1.3
188.10681	3.5
189.11469	6.8
193.08551	1.3
195.10207	10.9
196.11189	2.6
198.09155	3.0
198.12769	2.9
199.09926	3.8
200.10663	1.4
210.08875	1.2
211.09796	2.6
213.06700	1.2
213.11255	16.8
213.13463	1.4
214.08743	1.1
214.12239	12.2
216.13850	3.0
224.10638	5.2
225.10245	1.1
226.08771	1.8
226.12379	8.0
227.06927	1.3
227.09293	2.3
228.12500	1.5
231.15042	1.2
240.12598	1.1
241.13234	6.2
242.11731	42.8
243.12453	2.0
243.14896	55.5
251.11816	1.9
252.10161	2.1
254.10397	3.1
259.14389	4.9
269.09830	2.0
269.12793	31.1
270.11197	62.9
271.11514	1.9
287.05405	10.1
287.10236	5.5
287.13837	57.8
287.17053	2.8
305.14871	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	287.0908
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
53.03942	0.4
55.05502	0.5
58.59007	0.2
65.03930	0.4
67.01854	3.6
67.05492	0.7
68.99782	0.7
69.07065	0.5
79.01811	0.3
79.05497	0.6
81.07050	1.0
83.04975	0.6
91.05468	6.1
93.07055	0.8
95.04456	0.3
95.04951	1.8
95.08595	0.7
96.54418	0.3
98.21474	0.8
99.04433	0.5
105.07021	0.7
107.04939	1.8
107.08583	0.7
109.06494	0.3
109.10168	0.8
111.04448	3.0
111.08083	0.3
119.04929	18.7
119.08535	0.6
121.02869	1.3
121.10120	0.4
123.04406	3.2
123.11659	1.0
128.22137	0.2
137.02333	0.4
137.05966	0.7
139.03891	0.5
145.10085	0.6
147.04390	54.9
148.04749	0.3
152.01038	0.4
153.01794	1.2
159.05852	0.3
159.11653	0.5
161.13203	0.4
165.01729	0.6
165.05487	0.9
167.03378	100.0
168.03752	0.9
171.04381	0.5
175.11188	0.3
181.06390	0.4
185.04445	3.0
185.05861	0.5
185.13257	0.4
189.05472	1.1
193.04941	0.6
199.14862	0.3
213.05481	0.5
269.07977	0.4
269.19049	0.4
269.22614	0.7
287.05515	14.3
287.09048	89.5
287.23297	1.9
288.06134	0.5
288.09409	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03925	0.2
55.01871	0.2
55.05493	0.8
57.03433	0.3
57.07060	0.3
59.91643	0.2
63.00042	0.2
67.01849	0.4
67.05496	2.2
68.99776	1.8
69.03412	0.5
69.07057	1.8
71.04980	0.3
79.05490	1.6
81.03413	0.4
81.07047	4.0
82.41941	0.1
83.04961	0.4
83.08608	0.7
85.02843	0.2
85.06531	0.7
91.05473	1.2
93.07030	2.5
95.04961	0.8
95.08600	2.9
97.02869	0.2
97.06514	0.5
97.10129	0.2
98.98411	0.2
99.08078	0.2
103.05449	0.8
105.03388	0.6
105.07019	1.6
107.04942	1.5
107.08587	2.3
109.02866	0.8
109.10134	1.6
111.00799	1.2
111.04407	0.6
111.08041	0.2
112.98144	0.2
117.07018	0.4
119.08577	1.7
121.02856	5.7
121.06465	0.4
121.10129	1.5
123.08025	0.3
123.11639	0.9
125.05974	0.2
127.03937	0.4
128.06276	0.3
129.06972	0.5
131.04915	0.4
131.08556	0.8
133.02817	0.8
133.06480	0.2
133.10097	1.4
135.08009	0.5
135.11662	1.2
137.02316	1.9
137.05940	0.4
137.13193	0.3
141.06943	0.2
142.07875	0.2
143.04839	0.2
143.08524	0.5
144.89806	0.2
145.06499	0.4
145.10086	1.4
147.04378	1.3
147.11670	1.0
149.05960	0.2
149.09633	0.2
149.13245	1.2
153.01810	9.9
157.06493	1.3
157.10129	0.5
159.11696	1.3
161.05949	0.6
161.09627	0.3
161.13248	0.8
163.07523	0.5
163.11205	0.3
163.14864	0.2
165.01817	3.6
165.09161	0.2
167.07056	0.2
169.06450	0.2
171.04401	0.6
171.11662	0.5
173.13232	0.5
175.14816	0.4
177.12697	0.3
183.02863	1.4
185.05928	1.1
185.13263	0.2
187.14816	0.4
189.05453	0.3
189.16385	0.4
191.10652	0.3
191.18073	0.2
194.06912	0.2
195.13733	0.4
197.05960	0.4
199.14760	0.4
201.16336	0.5
203.07040	0.3
205.15836	0.3
213.05446	2.5
213.16339	0.4
215.17682	0.2
217.05029	0.2
221.86151	0.2
227.17979	0.3
229.04968	0.3
231.06458	1.7
231.17233	0.2
233.18903	0.4
241.04880	1.3
241.19543	0.3
251.19936	0.5
255.09254	0.6
258.05200	2.1
259.06000	0.6
259.24237	0.2
269.04224	0.3
269.07944	0.2
269.12967	0.3
269.17426	1.3
269.22726	1.3
287.05460	100.0
287.20059	1.3
287.23648	4.7
288.05829	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
55.01852	0.2
55.03073	0.1
55.05507	0.6
57.07057	0.1
58.53675	0.1
65.03931	0.3
66.70518	0.1
67.01846	0.3
67.05502	0.8
68.99426	0.2
68.99779	1.9
69.03404	0.4
69.07058	1.0
69.95684	0.6
69.96083	0.2
71.04985	0.2
79.05482	1.0
81.03411	0.4
81.07044	1.8
83.04968	0.4
83.08582	0.2
85.02876	0.3
85.06512	0.4
91.05464	0.7
93.07032	0.9
95.04961	0.5
95.08591	1.4
97.02874	0.2
97.06510	0.6
97.10131	0.1
99.08026	0.2
103.05462	0.4
105.03395	0.8
105.07027	1.1
107.04951	1.1
107.08555	1.0
109.02879	0.7
109.06487	0.2
109.10139	0.9
111.00790	1.4
111.04421	0.3
115.05413	0.2
117.07005	0.4
119.04934	0.2
119.08546	0.9
121.02847	5.2
121.06451	0.2
121.10095	0.7
123.04409	0.3
123.07992	0.2
123.11683	0.5
125.02372	0.1
125.05988	0.3
125.09599	0.2
127.03912	0.3
128.06189	0.1
129.06998	0.4
131.04919	0.2
131.08549	0.4
133.02826	0.9
133.06500	0.1
133.10072	0.7
135.04402	0.3
135.08017	0.3
135.11638	0.3
137.02335	2.0
137.05972	0.3
137.09619	0.2
137.13237	0.1
141.06944	0.3
143.08501	0.3
145.06467	0.5
145.10158	0.6
147.04373	1.4
147.11661	0.7
149.13228	0.4
152.06042	0.1
153.01810	8.6
157.06464	1.4
157.10049	0.3
159.11664	0.6
161.05981	0.3
161.13222	0.3
163.07483	0.3
163.11137	0.2
165.00504	0.3
165.01810	3.1
165.09035	0.6
167.07019	0.3
167.08505	0.1
169.06483	0.2
171.02930	0.2
171.04402	0.5
171.11633	0.3
173.13202	0.3
175.03920	0.2
175.07561	0.2
175.14822	0.3
183.02858	1.3
183.94371	0.1
184.05220	0.2
185.05917	1.1
185.13277	0.2
187.14738	0.2
189.05498	0.2
197.05965	0.4
199.07552	0.1
199.14801	0.2
201.05539	0.1
203.03316	0.1
203.07013	0.3
205.12061	0.1
213.05424	3.0
213.16374	0.2
215.17946	0.3
227.10631	0.2
229.04892	0.3
230.05698	0.1
231.06491	1.1
241.04887	1.6
245.04361	0.2
251.20087	0.2
255.06721	0.2
255.10049	0.2
257.04626	0.1
258.05212	2.1
259.05997	0.7
259.16953	0.2
269.04395	0.4
269.22437	0.4
287.05453	100.0
287.23651	2.0
288.05783	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	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03931	0.1
55.05494	0.2
65.03927	0.3
67.01849	0.2
67.05486	0.3
68.99428	0.2
68.99778	1.9
69.03410	0.3
69.07049	0.4
69.41723	0.4
69.42151	0.6
71.04977	0.1
77.34190	0.1
79.05482	0.9
81.03402	0.3
81.07056	0.7
83.04938	0.2
83.08569	0.1
85.06526	0.2
86.09662	0.3
87.24325	0.1
90.67484	0.1
91.05466	0.3
93.07018	0.5
95.04945	0.5
95.08588	0.6
97.06493	0.1
98.20739	0.2
103.05460	0.2
105.03377	0.9
105.06993	0.4
107.04944	1.3
107.08559	0.4
109.02880	0.7
109.10112	0.3
111.00786	1.5
111.04412	0.4
115.05413	0.1
117.07007	0.3
119.04874	0.1
119.08552	0.4
121.02848	6.0
121.06495	0.2
121.10108	0.3
123.08040	0.1
127.03862	0.2
129.06973	0.3
131.08521	0.2
133.02829	0.8
133.10092	0.3
135.04401	0.4
135.08049	0.2
135.11662	0.1
137.01329	0.2
137.02319	2.0
141.06964	0.3
145.06442	0.8
145.10052	0.3
147.04382	1.3
147.11668	0.3
149.13182	0.1
153.01808	9.8
157.06479	1.2
159.11693	0.2
160.46211	0.1
161.02304	0.1
161.05913	0.3
163.03943	0.1
165.01814	3.3
166.02361	0.1
167.07031	0.1
169.06393	0.2
171.04349	0.6
175.03815	0.1
175.07526	0.2
175.14784	0.1
183.02863	1.8
185.05952	1.0
187.14699	0.1
189.05473	0.2
195.07985	0.1
197.05971	0.3
199.03876	0.1
201.05502	0.2
203.03439	0.2
203.07060	0.3
212.04558	0.2
213.05446	3.2
216.04123	0.1
227.10547	0.1
229.04910	0.4
231.06483	1.4
241.04915	1.7
242.05733	0.1
243.06514	0.2
245.04401	0.1
255.06361	0.1
257.04401	0.2
258.05215	2.0
259.05945	0.9
269.04361	0.5
269.22513	0.2
272.06470	0.1
287.05453	100.0
287.23468	0.7
288.05801	3.0
288.08224	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03923	0.2
55.01855	0.3
55.05489	0.4
61.34066	0.2
65.03918	0.5
67.01848	0.4
67.05489	0.8
68.99783	1.8
69.07040	0.7
71.04974	0.3
79.05490	1.0
81.07032	1.5
91.05466	0.6
93.07021	1.0
95.04956	0.4
95.08598	1.8
98.21512	0.4
103.05446	0.4
105.03371	0.8
105.07013	1.2
107.04903	1.0
107.08572	0.8
109.02845	0.5
109.06483	0.2
109.10151	1.1
111.00764	1.1
111.04435	0.4
117.07038	0.4
117.71065	0.2
119.08590	1.0
121.02856	5.9
121.10117	0.7
123.11691	0.4
129.06960	0.5
131.08560	0.6
133.02815	0.8
133.10098	0.8
135.04347	0.4
137.02296	1.6
145.06439	0.4
145.10081	0.4
147.04398	1.4
147.11670	0.8
153.01813	9.9
157.06487	1.1
157.10013	0.3
159.11635	0.4
161.05923	0.4
161.13197	0.3
165.01811	3.1
169.06450	0.3
171.04404	0.6
171.11687	0.2
173.13211	0.2
175.03864	0.3
175.14754	0.2
183.02864	1.5
185.05887	1.1
187.14612	0.3
197.05951	0.2
201.16368	0.2
203.07086	0.4
213.03477	0.3
213.05453	2.9
229.04918	0.4
231.06453	0.9
233.18987	0.2
241.04947	1.6
258.05222	1.8
259.05936	0.7
269.04544	0.3
269.22595	0.4
287.05460	100.0
287.23645	2.2
288.05820	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	287.0545
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03915	0.2
55.01868	0.2
55.05496	0.4
55.08183	0.1
57.07045	0.1
65.03927	0.4
67.01842	0.2
67.05480	0.7
68.99778	2.0
69.03436	0.3
69.07059	0.7
69.89700	0.3
69.90118	0.4
71.04965	0.2
79.05479	1.2
81.03410	0.3
81.07047	1.3
83.04980	0.2
83.08604	0.2
85.06514	0.2
91.05458	0.5
93.07034	0.9
95.04951	0.3
95.08593	1.0
97.02894	0.2
97.06519	0.4
98.98464	0.1
99.08076	0.4
103.05437	0.5
105.03379	0.8
105.07034	0.8
107.04932	1.0
107.08576	1.0
109.02862	0.6
109.06484	0.1
109.10154	0.7
111.00788	1.3
111.04424	0.3
115.05443	0.3
117.06982	0.3
118.06468	0.1
119.04912	0.2
119.08537	0.6
121.02853	6.5
121.06394	0.2
121.10113	0.7
123.11698	0.3
125.02371	0.1
125.05962	0.2
127.03891	0.3
129.06981	0.4
131.04918	0.2
131.08560	0.3
133.02840	0.9
133.10101	0.5
135.04411	0.3
135.08057	0.2
135.11636	0.4
137.02332	2.2
137.05939	0.2
137.13179	0.1
141.06944	0.2
142.63580	0.1
143.08589	0.2
145.06467	0.6
145.10117	0.5
147.04411	1.3
147.11647	0.3
149.09636	0.1
149.13200	0.2
151.03889	0.2
153.01808	10.3
157.06459	1.3
157.10159	0.3
159.11626	0.6
161.05966	0.5
161.13225	0.3
163.03854	0.1
163.07536	0.2
163.11069	0.1
165.01807	3.3
166.02519	0.1
167.00653	0.1
169.06404	0.3
171.03049	0.2
171.04356	0.7
171.11725	0.2
173.05869	0.2
173.13249	0.4
175.03918	0.1
175.07466	0.2
175.11287	0.1
175.14778	0.3
179.03369	0.1
183.02873	1.5
184.05179	0.1
185.05960	1.0
185.13263	0.1
187.43404	0.1
189.05434	0.3
189.16321	0.2
197.05940	0.3
199.03836	0.2
201.05542	0.1
203.03391	0.2
203.07039	0.4
204.98036	0.1
212.04474	0.2
213.05444	2.7
213.16425	0.2
215.18062	0.2
216.04166	0.2
217.04970	0.1
226.06212	0.1
229.04901	0.3
230.05862	0.1
231.06458	1.2
241.04936	1.7
243.06425	0.3
245.04396	0.2
258.05188	2.7
259.05957	0.9
269.04373	0.4
269.22647	0.4
287.05457	100.0
287.23654	1.4
288.05795	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	287.0545
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03921	0.1
55.01855	0.1
63.48068	0.0
65.03922	0.2
65.60246	0.1
67.01839	0.3
68.99776	1.6
69.03397	0.2
70.60419	0.1
70.60809	0.1
71.01324	0.1
79.05475	0.4
81.03410	0.2
81.07041	0.1
91.05467	0.2
93.07032	0.1
94.04172	0.1
95.01306	0.1
95.04937	0.2
97.02876	0.1
103.05421	0.2
105.03374	0.8
105.06998	0.1
107.04937	0.8
107.08579	0.1
109.02862	0.7
111.00791	1.3
111.04408	0.4
115.05427	0.2
117.06993	0.1
119.04913	0.1
119.08537	0.1
121.02847	5.5
121.03870	0.2
121.06470	0.1
122.03230	0.1
127.03886	0.2
129.06970	0.4
131.04924	0.1
133.02817	0.8
135.04407	0.3
135.08058	0.1
137.02322	1.8
141.06944	0.2
143.04991	0.1
145.06474	0.5
147.04384	1.2
151.03874	0.1
153.01801	8.8
154.02156	0.2
157.06436	1.1
161.05980	0.3
163.03877	0.1
164.84642	0.1
165.01804	3.1
166.02348	0.1
169.06436	0.1
171.02960	0.1
171.04398	0.6
173.05957	0.1
175.03871	0.1
175.07573	0.1
179.03413	0.1
183.02864	1.6
184.05090	0.1
185.05934	1.1
189.05434	0.2
194.02072	0.1
197.05945	0.3
199.03929	0.1
201.05399	0.1
203.03360	0.1
203.07042	0.2
213.05431	2.8
214.05750	0.1
216.04169	0.2
217.04878	0.1
225.05507	0.1
229.04860	0.4
231.06462	1.2
241.04910	1.4
242.05637	0.1
243.06500	0.2
245.04408	0.1
258.05206	2.2
259.06003	0.8
263.05466	0.1
269.04218	0.4
286.04565	0.1
287.05444	100.0
288.05783	3.1
288.09109	0.1
299.21912	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.1
55.01849	0.2
65.03911	0.2
67.01849	0.2
67.05497	0.1
68.99430	0.1
68.99776	1.8
69.03426	0.2
69.71769	0.5
69.72189	0.1
75.19039	0.1
79.05470	0.5
79.26752	0.1
81.03394	0.3
81.07037	0.2
85.02880	0.1
91.05467	0.1
93.07006	0.1
94.04170	0.1
95.04952	0.3
95.08577	0.2
97.02854	0.2
103.05443	0.3
105.03376	0.7
105.06996	0.2
107.04951	1.1
107.08572	0.2
109.02853	0.6
109.10090	0.1
111.00789	1.4
111.04437	0.4
112.43393	0.1
115.05409	0.1
117.07018	0.1
119.04921	0.2
119.08546	0.2
121.02851	6.0
121.03880	0.3
121.06474	0.2
121.10114	0.1
125.05930	0.1
127.03897	0.3
129.06975	0.3
131.04904	0.3
131.08502	0.1
133.02831	0.8
133.10129	0.1
135.04440	0.3
137.02324	1.9
137.05917	0.1
141.06937	0.2
141.51961	0.1
143.04932	0.1
145.06476	0.6
147.04379	1.4
151.03882	0.1
153.01807	8.9
154.02122	0.1
155.02040	0.1
157.06468	1.1
159.11700	0.1
161.05971	0.4
163.03851	0.1
165.01810	3.1
166.02379	0.1
167.04868	0.1
167.08496	0.1
169.06471	0.2
171.02977	0.1
171.04390	0.5
175.03882	0.2
179.05896	0.1
181.01326	0.1
181.06390	0.1
181.38194	0.1
183.02864	1.7
183.04471	0.1
185.05934	1.0
189.05447	0.3
191.03415	0.1
194.02031	0.2
197.05978	0.3
199.03761	0.1
203.03262	0.2
203.06996	0.2
212.04590	0.1
213.05426	3.0
214.05753	0.1
216.04237	0.1
217.04889	0.2
219.06601	0.1
223.04005	0.1
229.04935	0.3
231.06503	1.0
241.04907	1.4
242.05324	0.1
243.06454	0.2
258.05203	2.2
259.06049	0.5
263.05365	0.1
269.04416	0.4
269.12631	0.1
286.04520	0.1
287.05450	100.0
288.05789	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.86379	0.2
53.03950	0.2
55.01855	0.2
55.05497	0.3
57.03411	0.2
60.91307	0.2
67.01853	0.4
67.05489	0.5
68.99785	1.7
69.03416	0.4
69.07053	0.5
71.04992	0.2
71.19997	0.5
79.05494	1.0
81.03401	0.7
81.07053	1.0
83.04961	0.2
91.05461	0.7
93.07030	0.4
93.16993	0.2
95.04943	0.5
95.08584	0.6
97.02837	0.2
97.06509	0.6
99.08090	0.3
102.39375	0.2
103.05437	0.6
105.03391	0.6
105.07008	0.5
107.04944	2.2
107.08578	0.4
109.02837	0.8
109.06504	0.3
109.10159	0.2
111.00786	1.2
111.04422	0.4
117.07050	0.2
119.08614	0.4
121.01982	0.3
121.02850	5.2
121.06479	0.3
121.10123	0.5
123.04324	0.2
123.11704	0.2
125.02388	0.2
125.05933	0.2
127.03891	0.4
128.06184	0.2
129.06996	0.5
131.04956	0.3
131.08508	0.3
133.02847	0.9
133.10133	0.3
135.04398	0.4
135.08020	0.7
137.02339	2.1
137.05945	0.5
142.67418	0.2
145.06445	0.5
145.10046	0.2
147.04401	1.1
147.11650	0.2
149.05937	0.6
151.03943	0.3
151.07503	0.4
152.06186	0.2
153.01808	8.5
157.06494	1.2
161.05969	0.3
163.03889	0.2
163.07486	1.4
165.01833	2.6
167.07025	1.7
167.08562	0.6
169.06424	0.4
171.02997	0.2
171.04407	0.7
183.02881	1.5
185.05956	1.0
195.08038	1.1
195.10124	0.8
197.05957	0.6
199.03844	0.2
209.09590	0.3
212.08337	0.2
213.05453	3.1
213.11156	0.7
223.07553	0.3
227.10611	1.0
229.04953	0.3
231.06564	1.1
239.15356	0.2
241.04892	1.4
243.06569	0.2
245.04488	0.2
255.10170	1.1
258.05249	2.0
259.05984	0.8
263.05304	0.2
269.04474	0.4
269.12234	0.2
269.22495	0.2
287.05463	100.0
287.23657	0.5
288.05783	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	286.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.4
56.05020	0.9
56.96555	2.3
57.03419	2.4
59.04989	3.0
61.02916	5.1
67.05493	0.8
68.05003	1.0
69.03406	2.5
69.07066	0.7
69.88284	1.9
69.88687	1.6
70.06577	7.0
71.04984	6.2
73.02908	1.0
79.05482	2.7
79.64921	0.7
80.05011	0.7
81.03381	1.2
81.07050	11.8
82.05323	1.8
83.06091	10.5
85.02902	5.5
87.08097	1.8
93.04531	6.5
95.06075	15.3
96.04498	0.7
97.02889	2.8
98.21138	1.6
98.97566	2.4
99.04417	0.8
99.08094	0.8
106.06546	0.8
107.04980	0.9
107.06056	2.7
109.02881	1.1
110.07150	100.0
111.05574	1.3
111.07490	1.2
112.07588	8.3
112.08706	2.9
116.98566	1.1
119.01891	1.5
121.07625	1.7
124.03934	24.6
124.07545	4.1
125.02329	0.8
125.04279	0.8
127.03858	1.3
130.08623	0.8
131.01878	0.6
137.05959	1.3
139.05016	0.7
140.07036	5.6
145.04887	1.0
148.94490	0.6
151.12363	0.8
153.01833	5.0
154.07288	0.6
156.07668	15.7
158.06599	2.3
158.99701	0.7
160.06502	1.7
161.02846	0.9
163.12285	57.1
166.06096	1.9
176.07697	2.8
185.09164	1.5
186.04375	0.9
188.07642	3.4
190.13358	9.3
191.02202	0.7
193.13449	0.8
198.05316	0.7
201.00571	0.7
204.05498	1.3
204.07376	0.7
208.14426	13.5
210.15967	1.4
212.15196	0.8
219.01691	0.9
219.11330	2.5
221.04849	0.7
224.07602	0.9
236.13885	9.7
240.17026	8.8
241.15434	0.6
242.08766	1.3
242.18616	0.9
254.14966	20.3
256.13998	0.8
268.13901	1.5
286.09381	3.2
286.17572	89.4
287.05377	1.7
287.10324	0.8
287.17865	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0917
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
51.80783	0.2
53.03927	0.5
55.01852	0.4
57.03421	0.7
59.72805	0.2
61.02920	1.3
61.35385	0.2
63.34086	0.2
69.03422	2.6
69.44936	1.8
71.04991	0.3
73.02907	0.7
80.04999	0.7
81.03412	1.2
85.02893	9.7
86.03665	0.2
87.04456	0.5
91.03965	0.9
96.04501	0.5
97.02879	2.5
98.21051	0.8
99.04443	0.7
102.80062	0.2
109.02860	0.6
119.01877	0.3
124.03938	100.0
125.04289	0.7
127.03895	2.1
129.32607	0.2
145.04942	3.2
147.28043	0.2
161.03011	0.3
185.09102	0.3
199.32875	0.2
210.73445	0.2
255.62700	0.2
286.09201	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03923	2.7
55.01849	2.7
55.05265	1.1
55.05506	17.7
56.96552	1.2
57.03428	30.9
57.07056	2.3
59.39043	1.0
63.00048	1.3
64.16864	1.2
65.67397	1.0
67.05497	41.4
69.03404	3.0
69.06717	1.7
69.07059	21.0
69.16020	1.0
69.28419	1.0
70.29431	3.2
70.29832	1.7
71.04988	8.9
71.08624	1.1
79.05048	1.8
79.05482	23.2
81.03404	21.3
81.07046	98.7
83.04971	13.2
83.08609	19.7
85.02422	1.6
85.02895	21.4
85.06534	6.2
87.04423	1.5
91.05463	33.2
93.07035	19.6
95.04956	13.4
95.08587	24.3
97.02868	1.5
97.06499	7.4
97.10137	2.7
98.21418	1.9
98.98438	1.9
99.04356	1.4
99.08058	5.4
101.05986	2.4
105.07018	39.9
107.04919	2.9
107.08581	14.7
109.06494	6.4
109.10126	5.6
111.08054	6.0
113.05968	3.0
115.05505	1.2
117.07006	1.3
119.08572	36.1
121.06545	1.1
121.10130	23.7
123.08037	6.9
123.11687	29.2
125.18951	1.3
127.07516	3.3
128.48276	1.3
129.06982	6.1
131.08569	6.1
133.10094	8.4
135.11655	1.2
137.09583	1.6
137.13208	4.1
142.07756	2.0
145.10100	2.8
147.11667	74.1
149.09575	2.6
153.01817	2.3
157.10121	8.1
159.11676	1.6
161.05959	1.1
161.13060	1.4
165.12730	40.1
171.11722	1.7
175.11139	10.3
181.04910	1.4
183.13783	5.0
193.12216	32.5
198.09837	1.1
209.10052	1.4
211.13254	23.5
221.05914	2.1
225.09091	4.1
229.14319	8.2
235.13371	2.4
244.13919	4.2
246.64279	1.2
253.08479	4.7
253.14604	2.0
255.64688	1.6
264.65320	2.7
267.15750	5.6
273.65768	4.5
285.07755	13.1
285.11285	4.4
285.16895	100.0
285.22058	6.2
286.17072	2.3
300.78036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03935	2.2
55.01859	3.2
55.05255	1.6
55.05502	21.0
57.03431	38.9
57.07063	3.1
59.04985	1.6
65.03917	2.3
65.85474	0.9
67.05500	30.8
69.03432	5.2
69.07056	13.1
71.04984	8.5
71.62383	1.7
76.47200	0.9
79.05054	1.7
79.05485	25.2
81.03409	65.4
81.07046	44.1
83.04973	16.6
83.08135	1.5
83.08612	29.8
85.02896	64.8
85.06504	3.8
91.05470	31.5
93.07031	22.2
95.04961	30.7
95.08595	22.6
97.02875	2.8
97.06506	6.6
97.10182	5.8
99.04471	1.1
99.08076	2.5
103.05430	1.0
105.07016	28.7
107.04941	5.9
107.08091	0.8
107.08591	9.3
109.06522	7.1
109.10143	9.0
111.04406	2.0
111.08077	16.8
111.11725	1.1
113.05985	4.6
115.05424	1.2
117.07017	1.5
119.08565	25.5
121.06416	1.2
121.10128	13.8
123.08043	3.0
123.11697	10.1
125.09599	2.1
125.13232	0.9
127.07552	1.6
129.06990	10.7
131.08560	11.6
133.06470	3.6
133.10118	9.9
135.11627	1.9
137.05960	1.4
137.09610	2.2
137.13222	1.9
142.07736	3.1
145.10089	2.9
146.03642	1.5
147.08012	3.7
147.11673	26.6
149.09586	7.8
151.11148	1.0
153.01787	3.7
156.47021	1.1
157.10130	13.2
161.05934	4.6
165.07010	5.4
165.12704	9.5
167.06982	1.5
175.11171	23.3
182.07195	2.5
183.13777	1.2
193.06500	6.5
193.12225	78.8
210.06718	3.9
211.13264	75.4
221.06007	7.8
225.09068	11.6
229.14313	2.1
238.06161	3.4
239.06914	1.4
253.08566	30.0
254.09235	2.6
267.15878	3.7
267.21045	1.3
270.08896	1.0
285.11548	15.9
285.16907	100.0
285.22064	6.3
286.17258	1.5
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	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03929	1.4
55.01866	2.1
55.05502	15.5
57.03427	24.4
57.07056	1.2
59.04982	1.2
65.03927	1.3
67.05494	34.4
69.03410	0.9
69.07056	18.5
70.16323	2.5
71.04984	6.8
73.06543	0.8
79.05479	16.8
80.47379	0.5
81.03402	1.3
81.07043	100.0
83.04972	9.1
83.08598	9.5
84.76508	0.5
85.02888	0.6
85.06533	6.8
87.04454	0.6
89.47767	0.5
91.05466	24.4
92.35564	0.5
93.07028	11.1
95.04959	2.6
95.08591	19.9
97.06515	8.6
97.10182	1.2
99.04467	0.6
99.08082	4.5
101.06007	2.1
105.07012	36.4
107.08578	11.5
109.06506	5.5
109.10117	2.4
111.08066	1.8
113.05984	2.1
117.06952	1.0
119.08559	29.7
121.10128	22.8
123.08051	5.4
123.11687	31.4
125.09655	0.6
127.07511	3.6
129.06984	2.1
131.08511	1.6
133.10126	3.3
135.11702	0.6
137.09592	0.6
137.13255	2.9
141.09111	1.1
145.10069	1.7
147.11665	77.6
148.12000	1.3
149.09573	0.9
153.01784	0.7
157.10114	3.6
161.05927	0.9
165.07048	1.2
165.12729	42.8
166.13081	0.9
169.10080	0.6
175.11134	2.9
183.13789	6.2
193.06482	1.3
193.12221	3.6
210.06737	1.0
211.13287	0.8
221.05934	1.1
225.09003	2.2
229.14310	8.9
238.06200	0.5
239.07283	0.6
253.08595	5.3
254.09319	0.7
267.15866	5.2
285.11298	4.1
285.16919	79.1
286.17206	1.3
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	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03933	1.4
55.01867	1.8
55.05505	15.8
57.03432	25.0
57.07058	1.1
59.05001	1.4
65.03937	1.1
67.05498	34.0
69.03419	1.6
69.07062	23.5
69.47180	5.7
71.04987	8.9
79.05485	18.8
81.03415	4.8
81.07048	100.0
82.07358	0.8
83.04977	9.0
83.08617	12.0
85.02441	0.9
85.02872	4.2
85.06531	7.4
87.04465	0.9
91.05473	26.0
93.07034	15.4
95.04971	5.3
95.08594	23.0
95.47440	0.6
97.06518	10.5
97.10149	1.4
98.21546	1.5
99.08082	5.3
101.06009	2.2
105.07018	39.0
106.07391	0.8
107.04969	1.2
107.08581	15.5
109.06503	6.7
109.10139	2.5
111.04425	0.7
111.08089	1.7
113.06005	2.3
119.08569	30.3
121.10131	23.6
121.11012	1.1
123.08073	5.1
123.11691	33.0
125.09601	0.8
127.07550	2.5
129.06987	3.1
131.08562	2.3
133.06473	0.7
133.10092	3.3
137.09601	0.8
137.13240	3.5
141.09103	2.2
141.12904	0.7
142.07860	0.8
145.10143	1.7
147.11667	83.0
148.11990	0.8
149.09612	1.6
153.01790	1.9
157.08969	0.6
157.10115	5.3
161.05914	1.4
165.07036	1.8
165.12735	51.5
173.13141	0.7
175.11174	5.2
183.13780	6.8
193.06541	1.6
193.12189	7.9
211.13228	5.3
214.01010	0.6
221.05930	2.2
225.09108	3.1
229.14320	9.9
238.06134	1.4
253.08566	8.5
267.15884	6.1
285.11252	5.1
285.16928	93.8
285.22040	2.3
286.17264	1.6
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	Dihydroartemisinin
Peak:m/z	Relative Intensity
51.38748	0.5
53.03947	0.6
55.01860	3.2
55.05502	15.8
57.03430	24.9
57.07066	1.4
59.04992	1.0
65.03943	1.1
67.05497	34.3
69.03426	2.9
69.07058	18.0
69.07328	0.4
70.20672	2.7
71.04981	7.0
73.02901	0.6
73.06541	0.6
77.03910	0.7
79.05482	22.6
81.03408	36.0
81.07044	100.0
82.07369	0.6
83.04974	9.2
83.08608	19.3
85.02893	10.0
85.06530	7.1
87.04509	0.6
91.05468	28.1
93.07027	14.3
95.04957	13.5
95.08592	20.3
96.08936	0.6
97.02892	1.7
97.06503	8.2
97.10152	1.8
99.04448	0.9
99.08083	5.1
101.05981	1.1
105.07015	37.4
107.04954	3.2
107.08571	14.5
109.02863	0.6
109.06503	6.4
109.10113	3.0
111.04441	1.4
111.08070	6.4
113.06002	2.3
115.05477	1.6
117.07015	0.8
119.08563	32.3
121.06517	0.9
121.09302	1.3
121.10130	21.4
123.08055	4.5
123.11685	27.5
125.09688	0.9
127.07539	3.5
129.06975	4.2
131.08527	4.9
133.06519	1.3
133.10112	3.9
137.06036	0.7
137.09586	1.3
137.13268	3.2
141.09145	0.8
142.07773	1.3
145.10097	3.0
147.08003	1.4
147.11665	72.5
148.12004	0.7
149.09599	2.8
153.01831	5.5
155.08585	0.9
157.10120	8.8
161.05984	1.8
165.06970	3.4
165.12732	39.6
166.13069	1.0
175.11168	9.0
182.07251	1.2
183.13799	5.0
185.50467	0.6
193.06485	2.3
193.12218	32.6
199.14792	0.8
210.06787	1.3
211.13246	12.0
221.05971	2.9
224.08214	0.9
225.09094	5.0
229.14265	9.5
238.06184	0.9
239.06952	1.3
253.08566	9.8
254.09050	1.0
267.15875	13.1
285.07660	1.7
285.11230	8.3
285.16913	88.7
286.17252	1.5
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	Hysterone D
Peak:m/z	Relative Intensity
53.03926	3.6
55.01851	4.4
55.05265	1.4
55.05507	20.9
56.96794	1.2
57.03431	40.7
62.20854	1.0
65.03933	1.8
67.05493	32.4
67.51691	1.0
69.03417	6.6
69.06767	1.0
69.07055	10.9
69.30473	12.8
70.58799	0.9
71.04980	7.3
78.97452	1.1
79.05486	31.7
81.03408	72.5
81.06577	2.0
81.07048	41.3
82.75787	1.1
83.04533	1.6
83.04967	17.1
83.08132	1.7
83.08610	25.2
85.02897	64.3
85.06534	4.6
91.04890	2.0
91.05472	38.4
93.06473	1.3
93.07042	24.5
95.04960	33.2
95.08034	2.0
95.08591	21.2
97.02873	4.7
97.06509	8.3
97.10130	4.2
98.21590	1.1
99.04398	1.1
99.08054	2.8
99.86648	1.0
105.07019	30.3
107.04931	7.5
107.08571	9.5
109.06496	7.3
109.10122	4.8
111.04434	3.2
111.07309	0.9
111.08069	18.1
113.05997	5.5
115.05433	2.2
117.07011	2.6
119.08571	24.4
121.06488	2.3
121.10123	14.6
123.04438	1.1
123.08062	4.9
123.11667	4.2
125.09586	1.4
129.06984	11.2
131.08556	14.2
133.06453	4.7
133.10123	14.5
135.11626	1.3
137.05968	2.8
137.09572	3.6
141.01779	1.1
141.05428	1.1
142.07751	3.8
143.03328	1.1
145.10107	3.2
146.03577	2.0
147.08028	4.3
147.11670	26.2
149.09636	7.4
153.01808	11.5
157.10114	19.1
161.05966	6.2
163.11195	1.8
165.06987	5.6
165.12730	4.6
168.07622	1.0
171.11609	1.3
175.11160	20.6
179.08604	1.6
181.04918	2.0
181.06442	1.6
182.07243	2.8
189.16173	1.0
193.06456	4.7
193.12225	77.1
210.06717	3.5
211.13263	51.0
221.05948	5.7
225.09087	12.1
227.07019	1.4
231.88428	1.2
238.06259	1.9
239.06970	2.0
251.80714	1.3
253.08592	28.3
254.09023	2.2
267.15915	9.8
270.08792	2.1
285.07574	5.4
285.11224	24.7
285.16922	100.0
285.22021	3.6
286.11829	1.3
286.17392	1.4
302.63788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.02365	0.9
51.23915	0.8
53.03946	1.9
55.01868	4.5
55.05505	21.0
57.03428	38.1
57.07043	1.3
59.04991	1.3
65.03925	1.0
67.05496	32.0
69.03409	6.2
69.07056	7.9
69.48825	2.2
69.49255	4.9
70.37709	0.8
71.04987	8.3
77.03887	0.7
79.05483	30.2
81.03407	75.4
81.07047	37.0
83.04973	15.0
83.08607	22.7
85.02893	63.2
85.06525	2.3
87.04440	0.9
91.05469	40.0
93.07030	20.7
95.04956	32.8
95.08589	14.4
97.02869	4.1
97.06507	5.0
97.10138	3.8
98.20638	1.0
99.08060	1.6
105.07013	29.3
107.04939	6.8
107.08577	10.4
109.06512	5.1
109.10143	5.1
111.04421	2.9
111.08071	17.2
113.05993	6.1
115.05431	2.1
117.06998	1.9
119.08564	23.6
121.06496	1.6
121.10114	12.8
123.08036	4.0
123.11675	4.0
125.05908	1.0
125.09612	1.4
127.07542	1.4
129.06998	13.1
131.08556	13.0
133.06458	2.9
133.10117	13.6
135.08006	1.1
135.11618	0.9
137.05916	1.4
137.09576	2.4
142.07767	2.6
145.10112	2.4
147.08028	2.5
147.11673	20.8
149.05920	0.8
149.09599	8.7
151.11086	1.3
152.59189	0.9
153.01782	3.6
153.05490	0.8
153.62003	0.9
157.10117	18.7
161.05966	1.9
161.13295	0.8
163.11148	2.3
165.06987	2.1
165.12711	4.6
174.97205	0.8
175.11154	20.6
181.04903	0.8
182.07231	0.9
193.06509	2.3
193.12221	84.4
195.01984	0.9
210.06694	1.8
211.13269	54.1
212.13722	0.8
221.05942	2.8
225.09125	5.2
228.26941	0.8
229.14247	2.2
238.06308	0.9
248.63850	0.7
253.08572	7.2
267.15848	10.2
270.08786	1.5
285.11212	9.4
285.16919	100.0
286.17252	1.5
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	Hysterone D
Peak:m/z	Relative Intensity
51.02372	1.2
53.03925	3.1
55.01857	6.2
55.05261	1.5
55.05503	20.1
57.03427	43.8
57.07058	2.0
59.04991	2.3
63.89679	0.9
65.03920	2.6
67.05492	32.1
69.03416	8.0
69.07053	10.8
71.04980	11.3
71.61729	1.9
72.46883	0.8
73.02895	1.6
79.05480	30.9
81.03406	92.3
81.07043	45.9
83.04970	17.7
83.08605	30.6
83.98008	0.8
85.02892	66.6
85.06525	6.1
86.09677	2.3
87.04472	1.1
87.10071	0.9
91.05468	39.9
93.07028	27.1
95.04955	35.7
95.08597	20.8
97.02885	5.0
97.06515	8.1
97.10149	2.8
99.04434	2.0
99.08065	4.2
100.11236	1.4
101.06002	1.0
102.69265	1.1
103.03928	1.3
103.05413	1.3
105.07012	31.0
107.04927	7.4
107.08576	11.3
109.02834	5.3
109.06509	6.5
109.10138	6.5
111.04407	3.3
111.08064	19.9
113.06007	5.2
115.05429	3.1
117.06966	2.1
119.04902	1.8
119.08561	25.9
119.65009	0.9
121.02823	1.4
121.06474	2.7
121.10126	14.1
123.04387	1.0
123.08035	5.2
123.11670	4.1
124.03951	2.1
124.07593	1.2
125.09553	1.6
127.03973	1.9
127.07526	2.2
128.06142	1.1
129.06981	12.3
129.09033	2.1
131.08548	15.8
133.06491	4.9
133.10110	14.3
135.04417	1.3
135.08018	1.7
137.05957	3.7
137.09581	4.1
139.11124	1.3
141.05420	1.4
142.07742	3.3
143.03416	1.1
145.04939	1.3
145.10066	2.5
147.08009	3.2
147.11655	25.2
147.12767	1.5
149.05917	2.3
149.09599	8.0
150.06746	1.5
151.07465	1.3
153.01793	11.8
153.05447	3.1
153.06757	0.8
157.10098	18.7
159.11623	1.2
161.05917	4.4
163.11140	2.0
165.06964	3.5
165.12778	6.1
168.07770	2.8
175.11166	23.3
179.08649	1.1
181.06577	1.1
182.07251	2.6
184.24240	0.9
187.14760	1.0
191.07130	1.5
193.06450	2.0
193.12210	88.3
194.12512	1.0
195.10335	0.9
196.05548	1.5
196.07294	2.4
209.07980	0.9
210.06638	2.3
211.13252	54.0
212.13750	1.5
212.70662	0.9
221.05928	4.2
224.08270	1.3
225.09009	6.3
229.14171	1.2
239.07001	1.3
249.14758	1.5
249.18549	1.4
253.08572	10.3
267.15872	14.1
270.08603	1.4
285.07709	2.4
285.11328	14.8
285.16904	100.0
285.22021	2.6
286.17337	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	285.1691
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03946	2.5
55.01861	4.4
55.05506	20.8
57.03429	49.0
57.07053	3.6
59.04994	1.6
60.83653	1.5
65.03934	1.7
67.05166	2.2
67.05495	31.4
69.03419	4.0
69.07069	12.0
70.04220	8.5
71.04974	7.3
71.08620	2.1
75.71989	1.5
79.05477	29.3
79.21988	1.6
81.03405	79.6
81.07040	39.2
83.04968	18.2
83.08610	29.6
85.02890	75.1
85.06508	1.9
91.04888	2.3
91.05464	40.1
93.07034	21.2
95.04959	34.0
95.08028	2.4
95.08585	18.5
97.02879	3.7
97.06512	6.7
97.10142	4.6
99.08092	2.4
105.07021	30.5
107.04918	6.6
107.08570	10.0
109.06520	7.6
109.10124	5.3
111.04408	3.0
111.08075	19.0
113.05977	6.9
115.05434	2.1
119.08578	24.6
121.06443	2.6
121.10122	13.6
123.08062	3.9
123.11672	5.4
127.07496	1.9
129.07001	11.2
131.08560	13.9
133.06448	3.8
133.10104	14.7
137.09619	2.5
142.07712	4.1
147.08040	5.5
147.11679	22.2
149.09641	8.6
151.11121	1.7
157.10104	20.2
163.11186	1.7
165.12726	5.6
175.11151	24.6
193.12219	84.9
197.89265	1.5
211.13260	65.9
212.13654	1.8
249.19749	1.5
249.83965	1.6
267.15845	3.1
285.16922	100.0
285.24167	4.7
286.17426	1.7
306.38220	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.38725	1.2
53.03931	3.4
53.39289	1.2
55.01851	3.1
55.05507	17.9
57.03428	39.1
57.07046	2.4
57.51757	1.7
59.04972	1.9
60.15961	1.4
62.24139	1.5
67.05159	2.1
67.05488	25.5
69.03394	6.3
69.07056	10.5
69.40250	15.0
70.42858	1.4
71.04983	9.9
73.02911	1.5
79.05479	20.8
81.03407	66.8
81.06582	1.8
81.07049	48.6
83.04980	14.3
83.08602	28.7
85.02893	67.2
85.06521	4.2
91.05470	32.5
93.07031	19.8
95.04954	33.3
95.08594	17.1
97.02861	4.3
97.06493	4.9
97.10143	4.9
99.08107	1.5
105.07014	31.9
107.04902	4.8
107.08578	9.7
109.06500	6.8
109.10130	5.4
111.04429	3.3
111.08066	19.6
113.06010	8.4
115.05445	2.2
117.06985	3.2
119.08566	24.7
121.06479	1.4
121.10131	15.6
123.08023	4.6
123.11710	7.0
125.05879	1.6
127.07365	1.7
128.06163	1.3
129.06967	12.2
131.08549	14.4
133.06461	2.4
133.10123	12.7
135.04369	6.0
137.09541	1.8
142.07738	3.4
145.10048	4.2
147.07988	4.0
147.11678	46.4
149.09601	9.6
157.10112	17.5
165.12747	7.8
173.03551	2.6
175.11182	21.8
181.04961	2.0
183.59232	1.6
193.12218	83.7
194.07359	1.5
199.14864	2.0
211.13260	78.0
221.05705	1.8
225.09258	1.5
225.16313	2.2
229.09836	2.1
229.14229	3.3
239.17812	2.6
253.08592	2.8
266.14148	1.5
267.15829	4.9
267.20605	1.6
279.50925	1.7
285.07898	2.2
285.11154	6.0
285.16870	100.0
285.22028	12.1
285.29581	1.7
285.43616	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Hysterone D
Peak:m/z	Relative Intensity
52.89402	0.8
53.03930	3.1
55.01866	4.5
55.05501	7.8
57.03429	11.1
62.99989	1.0
67.05169	1.0
67.05499	14.3
69.03416	5.2
69.07051	4.2
71.04976	3.3
71.62868	1.2
79.05485	14.9
81.03407	100.0
81.07045	16.4
81.34255	0.7
83.04973	8.1
83.08608	25.0
85.02896	12.4
85.06542	1.7
91.05466	18.5
92.59677	0.8
93.07026	11.0
95.04952	30.0
95.08578	8.1
97.02872	3.6
97.06507	2.6
97.10161	0.7
99.08030	1.0
103.05455	0.7
104.35638	0.7
105.07015	14.7
107.04365	0.8
107.04948	7.8
107.08608	5.5
109.02823	1.0
109.06503	5.3
109.10147	4.7
111.04404	3.3
111.08072	12.4
113.05982	1.4
115.05422	2.3
117.06965	1.9
119.04918	2.1
119.08553	13.2
121.06477	2.8
121.10115	6.9
123.08050	2.4
123.11672	2.6
123.19930	0.8
125.09604	1.9
127.03844	1.5
129.06975	6.6
131.08548	9.5
133.06470	4.8
133.10115	7.4
135.00816	0.8
135.08006	1.0
135.11635	1.4
137.05969	2.0
137.09596	2.2
142.07735	2.6
143.03464	0.9
143.08551	1.1
145.10100	1.9
146.03647	1.0
147.04375	0.8
147.08015	3.2
147.11646	10.5
149.05933	1.2
149.09602	4.7
153.01805	11.4
153.05432	4.2
157.10117	13.6
159.11642	1.3
161.05954	5.3
163.11194	0.8
165.07010	4.5
165.12701	2.7
167.06979	3.6
167.08310	0.8
168.07785	3.3
169.10104	1.0
171.11662	0.9
175.11150	15.2
179.08638	0.9
181.04915	1.6
182.07312	1.2
191.03371	1.5
193.06464	2.8
193.08543	2.9
193.12216	65.4
194.12540	1.7
196.07315	2.9
210.06729	2.6
211.07642	0.9
211.09665	3.2
211.13249	16.5
221.05923	4.4
224.08347	0.9
225.09081	7.2
229.04848	2.0
249.14789	1.0
249.18434	1.5
253.08569	10.8
254.09274	1.2
255.06448	0.9
257.04529	0.9
267.15881	17.3
270.08917	1.2
271.42636	0.8
285.03897	4.6
285.07700	4.2
285.11182	16.4
285.16837	15.8
285.21707	4.4
286.11621	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01850	2.4
55.05265	1.6
55.05504	20.9
57.03432	45.5
57.07041	5.0
57.68288	1.5
67.05174	2.0
67.05495	35.2
69.03399	5.2
69.07063	17.9
69.99444	3.3
69.99860	7.0
71.04986	13.0
71.08611	3.1
71.40019	1.7
79.05482	29.5
81.03407	63.5
81.07047	51.6
83.04968	15.1
83.08608	30.3
85.02895	71.2
87.04435	1.9
91.05468	37.8
93.07037	20.7
95.04436	2.4
95.04955	30.6
95.08041	2.9
95.08595	31.1
97.02880	2.4
97.06499	5.0
97.10126	7.3
105.07019	29.4
106.02916	1.7
107.04919	5.6
107.08570	11.2
109.06490	6.8
109.10149	14.9
111.04443	3.3
111.08066	16.7
111.11718	2.1
113.05993	5.1
117.06917	1.6
119.08568	25.0
121.06550	2.2
121.10123	13.6
123.08066	3.7
123.11656	11.0
125.09629	1.6
129.07027	10.4
131.08565	10.7
133.06465	3.0
133.10118	13.6
137.13152	2.5
138.26881	1.6
142.07739	1.9
145.10039	3.2
147.08102	2.7
147.11664	21.4
149.09555	6.3
157.10123	16.3
165.12700	5.4
175.11198	19.8
178.42329	1.6
193.12218	77.7
194.12527	1.7
202.05974	1.7
211.13263	69.5
267.15768	2.9
285.16904	100.0
285.22000	3.9
285.25519	2.9
291.76385	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03928	2.7
55.01844	4.3
55.05258	1.5
55.05501	22.6
57.03429	48.8
57.07055	2.3
62.99993	1.2
65.03920	1.5
67.05494	36.4
69.03401	5.0
69.07056	14.1
69.41053	6.0
69.41482	5.5
71.04980	9.5
79.05058	2.4
79.05482	30.2
81.03403	69.2
81.07043	54.6
83.04971	15.7
83.08139	1.6
83.08603	28.0
85.02892	70.2
85.06511	5.2
87.04437	2.0
88.67625	1.2
91.05468	36.6
93.03368	1.2
93.07034	24.0
95.04951	29.2
95.08594	20.4
97.02871	4.1
97.06516	5.8
97.10123	4.3
99.04451	1.6
99.08069	2.5
105.07014	31.7
107.04921	5.0
107.08585	14.1
109.06518	7.5
109.10136	7.8
111.04417	3.7
111.08065	15.5
113.05975	5.3
115.05379	1.3
117.07006	2.1
119.08564	31.4
120.04928	1.2
121.06465	1.8
121.10120	16.0
123.08033	4.7
123.11674	7.2
125.05961	1.3
125.09575	3.4
129.06985	13.4
131.08559	14.6
133.06480	2.9
133.10121	14.4
135.11652	1.4
137.09660	2.6
137.13216	1.6
138.48276	1.4
142.07765	3.0
145.10103	4.2
146.19319	1.2
147.08026	3.2
147.11656	31.0
149.09535	8.1
157.10092	17.5
159.11606	2.3
165.12755	7.2
173.13286	1.9
175.11165	24.0
179.79880	1.4
185.13219	2.0
193.12210	80.5
211.13246	67.4
229.14198	1.9
251.90486	1.2
253.08524	2.5
267.15808	4.1
285.11649	2.8
285.16898	100.0
285.22073	5.3
285.25656	5.3
285.29324	1.5
286.17331	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.3
55.05259	1.0
55.05505	16.0
57.03428	23.4
57.07063	2.1
59.04982	1.2
65.03933	1.1
67.05495	34.4
68.19813	0.8
69.03417	2.8
69.07058	22.5
70.90871	0.8
70.91203	1.3
71.04977	6.3
71.08615	0.9
77.03949	0.7
79.05481	18.8
81.03403	3.8
81.07043	100.0
81.57185	0.7
82.07368	0.8
83.04961	7.1
83.08605	13.7
85.02880	3.4
85.06541	8.3
86.77788	0.8
91.05465	23.8
93.07034	14.3
95.04958	4.7
95.08591	23.3
97.02884	1.1
97.06520	7.8
97.10144	2.7
98.54992	0.7
98.98435	0.9
99.04480	0.7
99.08068	4.8
101.05981	2.0
101.89267	0.7
103.05476	0.7
105.07017	37.5
107.04971	1.2
107.08572	13.5
109.06494	5.6
109.10144	6.5
111.08073	2.7
111.11716	1.6
113.05996	1.9
115.05482	1.0
117.07003	1.5
119.08565	29.7
121.10122	21.7
123.08039	5.2
123.11691	31.2
125.09611	1.3
127.07553	3.5
129.06979	3.8
131.04829	0.9
131.08569	2.6
133.06467	1.5
133.10109	4.9
135.11685	2.6
137.05975	2.0
137.09668	0.9
137.13237	3.5
141.09047	1.0
142.07764	0.9
143.03404	0.9
143.08531	1.2
145.10123	3.1
146.03566	1.6
147.11665	84.5
149.09599	1.7
153.01814	8.3
153.07045	1.0
154.07800	0.9
157.10095	4.6
158.13847	0.8
159.11661	1.3
161.05951	9.7
161.13222	1.0
165.06982	12.2
165.12732	44.7
166.07883	1.0
167.08495	0.8
169.10176	1.3
171.11693	1.3
173.13277	1.0
175.11163	5.6
181.06505	1.8
182.07256	3.4
182.69838	0.7
183.12189	0.9
183.13803	5.8
192.05865	0.9
193.06456	11.6
193.12224	6.8
194.07150	1.0
197.09624	1.0
197.51779	0.8
199.14816	1.5
210.06702	10.2
211.07553	1.5
211.13297	3.0
211.14996	0.8
221.05951	14.5
222.06653	1.8
225.09050	20.4
226.09549	0.9
227.06950	1.6
229.14273	7.8
238.06114	3.7
239.06981	1.8
253.08565	53.9
254.09099	4.8
254.81468	0.8
255.06374	1.4
267.15894	5.5
267.20911	0.9
270.08871	1.3
285.08041	1.4
285.11258	33.0
285.16904	77.7
285.21631	9.3
286.11826	1.8
286.17264	1.5
290.76843	0.7
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
52.01173	0.6
53.03891	1.9
53.17474	0.6
55.01811	2.0
55.05448	12.5
57.03371	15.9
57.07032	1.3
59.04949	1.1
62.99987	0.9
65.03892	0.9
67.05495	23.2
67.05820	1.4
69.03407	3.4
69.07054	13.1
69.07397	1.0
71.04982	4.9
71.62213	0.9
73.06496	0.5
79.05476	15.1
81.03407	37.0
81.03842	1.4
81.07045	55.5
83.04967	7.3
83.08602	15.8
85.02888	7.6
85.06528	5.0
87.59982	0.6
91.05466	19.3
93.07029	14.6
95.04958	12.8
95.08593	16.2
97.02809	2.6
97.06523	6.5
97.10099	1.3
99.04411	0.8
99.08064	3.3
101.05939	0.8
103.05372	1.2
105.07014	27.0
107.04940	3.5
107.08580	11.2
109.02810	0.9
109.06490	5.7
109.10155	4.3
111.04383	1.0
111.08040	6.2
113.05957	1.4
115.03866	1.0
115.05366	2.3
117.06911	1.1
119.08566	21.0
121.06435	1.6
121.10123	14.9
123.04350	1.3
123.08063	3.5
123.11692	16.2
125.02288	0.8
125.05891	0.8
125.09582	1.0
127.03828	0.9
127.07464	2.0
128.06169	0.8
129.06943	4.7
131.04828	1.3
131.08545	4.8
133.06430	3.0
133.10123	5.5
135.07951	1.2
135.11639	1.5
137.05963	3.7
137.09647	1.4
137.13181	2.2
141.09116	0.7
142.07721	1.8
143.08502	1.1
145.10069	3.7
146.03590	4.5
147.07941	1.7
147.11667	41.2
149.09528	2.7
149.13200	1.2
153.01799	15.5
153.06926	2.2
154.07690	1.4
155.08423	0.8
157.10115	7.9
159.11684	1.1
161.05966	16.7
161.13121	0.8
165.06979	23.5
165.11366	1.2
165.12720	21.1
166.07567	0.8
167.07091	0.7
167.08502	0.9
168.07846	0.8
169.06424	1.1
169.10110	1.2
171.11649	1.1
173.13112	0.9
175.11153	7.5
175.14745	0.7
179.08481	1.5
181.05029	0.9
181.06401	4.3
182.07262	9.2
183.07904	1.5
183.13734	2.5
185.13193	0.8
187.14760	0.6
189.16350	0.8
193.04778	1.2
193.06470	20.3
193.12213	24.6
194.07101	3.0
195.07910	1.0
197.06049	0.9
197.09570	1.9
199.07454	1.6
199.14708	1.4
201.16373	0.7
202.08809	0.9
207.08014	0.9
209.05968	2.1
210.06731	17.0
211.07481	2.9
211.13229	10.4
211.14961	1.1
212.04524	0.7
213.16243	0.9
221.05949	28.9
222.06520	2.9
224.08185	1.6
225.09070	39.5
225.16333	0.9
226.09436	1.5
227.06967	2.4
229.14252	5.9
237.05421	1.3
238.06223	8.9
239.06976	3.7
242.09283	1.0
249.18503	0.8
252.07796	1.1
253.08562	100.0
254.09198	7.2
255.06473	1.9
257.11673	1.3
267.10049	2.0
267.15845	6.8
267.18829	0.8
268.13290	1.7
269.07986	1.5
270.08905	4.3
285.07721	3.6
285.11200	59.1
285.16867	50.9
285.22079	5.5
286.11566	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	285.1117
Annotation	Batatasin I
Peak:m/z	Relative Intensity
53.03922	0.5
55.01857	0.7
55.05500	2.1
57.03413	1.4
57.07058	1.5
59.04989	0.4
63.00038	0.8
67.05491	3.9
69.03408	1.3
69.07055	4.4
70.74906	1.2
71.04971	1.5
71.08607	0.7
78.69839	0.3
79.05484	3.3
79.88485	0.3
81.03414	3.1
81.07046	9.3
83.04957	1.3
83.08605	3.7
85.02903	2.5
85.06516	1.1
91.05466	3.1
93.07025	3.7
95.04967	2.8
95.08046	0.5
95.08600	6.9
97.02875	0.8
97.06521	0.9
97.10165	1.9
98.98414	0.4
99.08067	0.6
101.05994	0.3
103.05441	0.5
104.39565	0.3
105.07024	6.1
107.04916	0.8
107.08578	2.9
109.02830	0.7
109.06487	1.2
109.10143	4.6
111.04420	0.3
111.08064	1.1
111.10992	0.3
111.11689	1.5
113.05988	0.4
113.09595	0.6
115.05441	0.7
117.06982	0.8
119.08563	2.9
121.06464	0.8
121.10125	2.9
123.04399	0.5
123.08028	0.8
123.11691	2.7
125.13280	0.4
129.06987	1.2
129.28410	0.3
131.04904	0.9
131.08514	1.9
133.06470	2.2
133.10118	2.4
135.08075	0.7
135.11665	0.9
137.05936	2.3
137.13225	0.9
142.07724	0.7
143.08534	1.5
145.10106	2.7
146.03618	3.1
147.08049	0.3
147.11646	2.3
149.09624	0.4
149.13252	0.4
153.01813	7.2
153.06976	1.6
154.07758	2.1
155.08495	0.9
157.10104	2.1
159.11665	1.6
161.05963	15.1
161.09633	0.4
161.13208	0.9
162.06598	0.5
163.11192	0.5
165.06985	21.9
165.12679	0.5
166.07471	1.2
167.08589	0.8
169.10075	1.3
171.11623	1.2
173.09613	0.5
173.13220	1.0
175.11111	1.4
175.14748	0.7
177.06998	0.5
178.07669	0.6
179.08502	0.9
181.04906	0.8
181.06418	3.5
181.09993	0.3
182.07259	8.0
183.07979	0.6
183.11635	0.8
185.13161	0.6
187.14804	0.9
189.12662	0.4
192.05620	0.4
193.06462	20.2
193.12233	2.8
194.07166	2.4
195.07994	0.6
197.09625	1.0
197.13254	1.3
199.07501	0.4
199.14804	1.4
201.12758	0.4
201.16315	0.5
207.08113	0.4
209.05917	1.2
210.04669	0.7
210.06711	14.3
211.07417	2.1
211.13269	2.3
211.14931	0.5
213.16360	0.5
221.05946	26.1
222.06546	2.1
224.08308	0.5
225.09071	34.6
225.16429	0.8
226.09406	1.1
227.06981	1.3
227.17920	0.6
235.07399	0.4
237.05365	1.0
238.06229	8.6
239.06944	2.1
239.17752	0.5
242.09262	0.5
249.25815	0.7
253.08568	100.0
254.09135	7.5
255.06580	1.0
257.11670	0.5
257.22528	0.7
263.09222	0.3
267.21222	3.3
267.26700	0.6
269.07980	0.4
270.08807	2.6
285.11179	51.3
285.16837	2.4
285.22028	11.7
285.25092	0.4
286.11642	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	Batatasin I
Peak:m/z	Relative Intensity
51.65799	0.3
53.03925	0.4
55.01836	1.2
55.05501	2.4
57.03432	2.8
61.22553	0.3
67.05494	4.5
69.03426	2.1
69.07071	2.0
69.48883	3.0
71.04961	1.1
79.01823	0.4
79.05484	3.2
81.03412	6.2
81.06583	0.5
81.07047	9.2
83.04951	1.3
83.08618	2.1
85.02915	1.7
85.06505	1.0
91.04951	0.4
91.05469	4.5
93.07037	2.7
95.04943	2.5
95.08595	3.0
97.02867	1.0
97.06490	0.8
99.08058	0.7
103.05448	0.7
105.07021	6.5
107.04961	0.6
107.08576	2.0
109.02863	0.5
109.06484	0.9
109.10128	1.4
111.08057	1.1
113.05956	0.4
115.03904	0.6
115.05405	1.1
119.08565	3.8
121.06487	0.7
121.10157	2.3
123.04402	0.4
123.08018	0.8
123.11703	2.8
125.02279	0.6
127.03868	0.5
127.07516	0.3
129.06995	1.0
131.04877	1.0
131.08507	1.1
133.06464	1.9
133.10071	1.5
135.04381	0.3
135.08099	0.5
135.11604	0.5
137.05966	2.1
143.03320	0.9
145.10089	0.7
146.03593	3.4
147.04395	0.5
147.11674	7.6
149.05977	1.0
149.09589	0.8
150.06870	0.4
151.03926	0.3
152.06198	0.7
153.01813	12.5
153.06956	1.4
154.07753	1.9
155.08504	0.4
157.10118	1.0
161.05963	14.1
162.06607	0.5
164.06248	0.4
165.06984	23.4
165.12703	3.9
166.07481	1.0
167.07001	0.3
167.08473	0.5
168.05687	0.5
168.07762	0.4
169.06445	0.5
169.10077	0.5
171.02861	0.6
171.08023	0.4
175.11189	1.1
177.06982	0.7
178.07727	0.4
179.08548	1.0
181.04930	0.5
181.06442	3.6
182.07254	9.8
183.07916	0.5
187.14870	0.5
192.05693	0.7
193.06467	21.2
193.12216	4.1
194.07176	2.2
197.09628	1.3
199.07452	0.6
199.14761	0.5
207.08163	0.4
209.05963	1.4
210.06746	16.4
211.07413	2.4
211.13194	1.8
220.05293	0.4
221.05948	28.3
222.06519	2.5
224.08255	0.8
225.09081	35.6
225.88217	0.3
226.09482	1.4
227.07001	1.4
227.18069	0.4
229.14262	0.6
235.07512	0.7
237.05464	0.9
238.06218	9.4
239.06966	3.0
240.07481	0.4
241.08777	0.4
242.09406	0.8
249.18469	0.5
252.07681	0.4
253.08568	100.0
254.09093	7.4
255.06599	1.3
257.11685	0.6
267.10086	0.8
267.15860	1.8
269.08038	0.6
270.08817	3.1
281.63870	0.4
285.11182	51.1
285.16669	8.9
285.21744	2.1
286.08612	0.6
286.11566	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	284.0987
Annotation	Crotonoside
Peak:m/z	Relative Intensity
53.03936	0.2
55.01864	0.3
56.96553	0.7
57.03424	0.6
60.28703	0.1
61.02919	0.4
63.64461	0.1
64.88744	0.1
69.03419	0.8
70.06592	0.2
71.61208	0.2
73.02909	0.6
81.03412	0.3
83.04968	0.3
85.02888	1.6
87.04472	0.3
97.02876	0.8
98.97581	1.2
99.04470	0.2
101.00890	0.3
102.96823	0.1
109.02883	0.2
109.05090	0.4
110.03518	1.5
111.04443	0.2
116.98595	1.2
119.01906	2.6
121.06431	0.1
121.51791	0.1
127.03873	0.3
128.04552	0.8
128.98589	0.2
131.01852	0.8
133.03481	0.1
133.04953	0.1
134.04628	0.2
134.99658	1.0
135.02995	2.5
136.06209	0.2
136.07559	0.4
137.01872	0.3
137.02946	1.0
137.06017	0.3
143.01862	0.3
145.03482	0.3
145.04929	0.2
146.02322	0.1
146.99565	0.1
152.05656	100.0
153.00685	0.2
153.01915	0.7
153.04057	5.7
153.06033	0.4
154.02310	0.2
155.01910	0.2
157.03450	0.2
158.99757	0.2
161.02939	0.5
164.07066	0.2
171.05046	0.2
173.02933	0.4
174.98758	0.1
175.04442	0.3
175.69818	0.1
177.00929	3.7
178.00998	0.3
183.04985	0.1
185.02879	0.3
189.06064	0.2
195.01912	0.1
196.04500	0.1
197.04762	0.2
201.00787	0.3
201.02397	0.6
201.06174	0.1
202.05753	0.1
203.04015	0.4
212.03091	0.1
213.05881	0.2
215.03851	0.1
217.03947	0.8
219.01952	5.6
220.02089	0.4
221.04982	0.2
225.00929	0.5
242.03647	0.2
243.01793	1.7
243.07269	0.1
244.02296	0.2
256.12772	0.1
261.03009	31.4
262.03149	2.2
279.00519	1.4
284.04562	2.3
284.07321	0.2
284.11475	0.8
284.29218	0.3
285.04636	0.4
302.01044	0.2
302.05508	0.2
303.00787	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	283.2627
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
53.03933	1.9
53.61404	1.3
55.01852	4.2
55.05500	50.6
57.03430	6.9
57.06811	2.0
57.07066	24.0
58.34966	1.3
59.04978	2.7
65.03908	1.7
67.05491	33.4
69.03413	2.6
69.07056	77.9
70.00961	3.6
70.01381	4.5
70.07372	1.7
71.04982	20.3
71.08620	8.2
73.06546	1.4
77.02809	1.6
79.05481	18.2
81.03400	2.1
81.07042	100.0
83.01307	1.4
83.04977	7.0
83.06081	1.5
83.08135	2.5
83.08604	42.9
85.06528	9.3
85.10178	2.4
87.21904	1.4
91.05453	7.2
93.07029	30.9
95.04958	5.1
95.08591	92.3
96.08910	1.6
97.06524	5.8
97.10153	30.0
98.98421	3.8
99.08073	8.0
99.30960	1.3
101.11837	1.5
105.04576	1.5
105.07014	7.0
107.04901	3.1
107.08572	29.1
109.06493	2.3
109.10140	65.6
110.10468	2.3
111.04417	2.9
111.08054	5.0
111.11698	11.4
113.09624	4.9
117.06992	2.8
119.08557	4.6
121.02823	9.0
121.06486	2.7
121.09299	2.0
121.10117	25.9
123.08042	3.0
123.11687	47.9
125.09602	4.0
125.13247	4.6
127.11175	7.3
129.49989	1.3
131.08527	3.4
133.06566	1.5
133.10114	2.9
135.11673	25.2
136.12024	1.4
137.13226	24.6
139.03806	1.4
139.11113	1.5
141.12711	6.7
145.10071	8.8
147.11705	2.3
149.05916	1.7
149.13239	15.7
151.14833	12.0
153.12730	9.1
155.08466	1.6
155.14323	2.1
161.13228	1.7
163.11119	7.3
163.14818	9.7
165.16377	6.4
167.08646	1.7
173.09631	1.9
177.16344	10.7
179.17912	8.8
181.12257	2.4
191.17914	12.8
195.07928	2.3
195.11685	1.7
205.19342	1.7
208.15038	1.5
209.08073	1.9
209.11717	2.9
209.19060	2.5
223.07458	1.9
223.20471	1.5
227.12759	6.0
227.17711	1.7
240.07736	2.7
247.24207	21.1
265.25198	31.2
266.25513	2.1
268.07214	3.6
278.26175	1.4
283.09399	10.9
283.15179	12.8
283.20432	5.6
283.26398	21.3
284.09814	1.6
301.11829	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31990	1.1
53.03944	1.6
55.01857	2.8
55.05504	51.2
57.03429	6.6
57.06815	1.6
57.07070	20.6
59.04980	4.3
67.05495	35.0
69.03403	2.7
69.07057	86.8
69.93013	1.1
70.07393	1.5
70.67981	4.2
71.04983	22.2
71.08624	8.1
73.06539	1.7
79.05056	1.5
79.05479	18.9
81.03386	3.5
81.07046	96.3
82.07387	1.5
83.04954	3.6
83.08604	57.0
85.02920	1.2
85.06514	9.2
85.10162	4.0
86.13800	1.1
89.05914	1.2
91.05471	8.2
93.06462	1.9
93.07037	35.4
95.04940	4.9
95.08594	100.0
96.08909	2.2
97.02878	2.6
97.06532	3.6
97.10155	25.6
99.04441	1.3
99.08077	14.4
100.11223	11.1
100.30820	1.2
105.07021	7.2
107.04948	2.1
107.08578	32.1
109.02864	1.4
109.06528	2.0
109.10141	81.3
110.10451	1.9
111.04427	2.2
111.08058	3.6
111.11708	13.8
113.09631	7.7
117.06989	3.1
117.13840	1.8
119.08569	8.4
121.02861	14.1
121.06492	3.6
121.10134	32.9
123.08036	1.7
123.11687	53.7
124.12029	1.7
125.09596	2.0
125.13254	7.0
127.11172	12.4
128.06273	1.2
131.08514	3.3
133.10085	2.4
135.11681	31.5
137.09605	1.4
137.13237	32.3
139.03938	2.0
139.07562	1.4
139.11162	3.4
139.14906	2.2
141.12700	8.9
143.08566	2.5
145.10114	10.7
147.11642	2.2
149.13239	17.1
151.14790	12.7
153.12726	8.3
155.08502	1.3
155.14273	1.9
159.11649	3.2
163.11133	11.1
163.14806	11.9
165.16353	7.4
169.15923	1.3
171.11678	2.3
173.09544	2.7
173.13240	2.6
177.16331	14.8
179.17915	8.3
181.12192	2.7
182.15369	2.9
183.17389	1.4
187.14821	1.5
191.10579	2.0
191.17906	20.8
195.08034	2.2
195.17546	1.2
197.13226	1.2
199.18060	5.2
200.10039	1.2
205.19562	4.0
209.11771	2.3
209.18869	1.2
213.16672	1.2
214.77499	1.1
223.07509	1.7
223.20604	2.8
225.05408	1.2
227.10614	1.4
227.12726	13.5
232.01451	1.1
237.09230	1.3
240.07832	4.2
247.17003	2.7
247.24182	25.2
248.24472	1.3
251.09300	2.3
255.10178	1.8
265.14279	1.7
265.17862	1.3
265.22238	2.0
265.25214	25.3
268.07281	3.8
283.02341	1.2
283.09506	10.0
283.15289	12.7
283.20517	6.8
283.23761	7.2
283.26324	86.0
284.09979	2.6
284.26660	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2628
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
53.03930	3.9
55.01859	3.4
55.05501	49.4
56.85044	1.2
57.03415	5.6
57.06818	1.7
57.07066	23.9
59.04992	3.4
59.92745	1.1
65.03918	2.2
67.05495	36.5
67.17838	1.6
69.03397	1.8
69.07057	88.4
70.06581	2.1
70.73939	3.6
71.04981	24.7
71.08621	8.1
73.06539	2.3
79.05478	15.4
79.47631	1.2
81.03411	2.4
81.07045	90.3
82.07382	1.8
83.04961	6.3
83.08606	53.7
84.08909	1.2
85.02877	2.3
85.06528	9.5
85.10172	3.2
91.05452	6.7
91.85036	1.2
93.06460	1.9
93.07026	27.3
95.04950	5.2
95.08590	100.0
96.08861	2.2
97.06509	4.4
97.10149	22.1
98.97573	1.6
99.04432	1.5
99.08068	12.6
99.71649	1.2
105.06994	5.6
107.04927	2.4
107.08575	28.3
108.21532	1.2
109.06508	4.1
109.10140	85.3
110.10480	2.0
111.08067	3.9
111.11709	13.8
113.09612	5.6
117.07015	2.1
119.08580	6.4
121.02850	18.7
121.06441	4.1
121.10121	32.4
123.11693	53.1
125.09630	3.7
125.13235	5.4
127.11163	11.8
131.08513	1.9
133.10074	3.6
135.11674	31.1
137.06003	2.6
137.13235	30.2
139.03845	1.6
139.11147	1.9
141.12708	8.8
145.10089	6.0
145.69807	1.3
149.13239	12.6
151.03839	1.6
151.14777	10.3
153.12708	7.4
155.14368	2.1
157.10071	1.7
159.11758	1.7
163.11192	6.7
163.14789	11.9
165.16344	6.9
167.08556	1.6
167.10829	1.4
173.09491	1.7
177.16391	14.0
179.17873	9.4
181.06462	2.1
183.17508	1.8
184.37930	1.4
191.17921	17.5
195.08044	3.1
195.17424	1.9
197.13179	1.6
205.19566	3.3
209.08090	2.2
209.11626	1.9
209.19000	2.4
212.36507	1.4
221.07864	1.5
222.06721	2.1
223.07535	3.3
223.20512	2.4
227.12679	6.9
234.08681	1.8
240.07841	2.1
247.16853	1.7
247.24132	21.8
251.09166	4.7
253.10651	2.1
255.09879	1.9
265.25189	25.9
268.07224	2.2
273.65521	3.2
283.06268	1.9
283.09381	13.9
283.12527	1.5
283.15308	9.3
283.20532	6.7
283.26276	78.6
284.10086	2.2
284.26654	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	283.2627
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
53.03938	2.9
55.01852	2.0
55.05503	33.8
57.03442	1.7
57.07067	14.0
59.04984	3.8
65.03927	2.0
67.05495	30.0
69.03411	3.4
69.07059	79.1
69.52811	1.2
70.06552	1.8
70.20967	1.4
71.04988	7.2
71.08614	5.8
71.16751	3.3
71.17113	1.7
72.58196	1.3
79.05486	13.7
81.03412	3.8
81.07046	96.4
82.07378	1.6
83.04973	3.4
83.08604	39.8
84.82509	1.4
85.02899	2.5
85.06530	6.2
91.05490	2.3
93.07026	26.6
95.04939	4.6
95.08594	100.0
96.08930	2.1
97.06496	5.1
97.10151	21.7
99.08073	10.6
105.07018	4.6
107.08585	21.8
109.02872	2.7
109.06523	1.8
109.10139	76.9
110.10514	1.3
111.04422	2.7
111.08071	3.1
111.11699	13.8
113.09608	8.1
119.08532	2.8
121.02854	36.8
121.10123	27.2
123.11691	32.7
125.09649	3.7
125.13264	5.0
127.11175	2.2
131.08549	2.1
133.10135	3.1
135.11679	19.9
137.13234	38.1
139.03925	4.2
139.11137	10.0
149.13260	15.7
151.14774	8.8
153.12724	2.1
163.14833	9.0
165.16345	13.0
168.10216	2.0
171.11696	1.4
177.16365	15.3
183.17436	5.7
191.17892	21.6
193.88379	1.4
195.08104	3.0
209.18968	2.7
223.07513	2.0
240.07846	1.7
242.83469	1.4
247.16855	1.7
247.24196	28.6
265.25229	56.4
266.25659	1.9
283.09589	10.6
283.15601	3.1
283.26343	20.8
284.10114	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2627
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
53.03931	3.4
55.01851	2.8
55.05504	51.0
57.03410	3.3
57.06814	1.8
57.07066	19.8
59.04974	3.2
60.47684	1.3
67.05166	2.4
67.05495	34.6
68.08842	1.3
69.03405	2.4
69.07058	100.0
70.07381	1.8
70.68426	4.9
71.04980	29.0
71.08630	6.9
73.06538	2.3
79.05476	16.9
81.03426	1.7
81.07046	99.3
82.07370	2.5
83.04951	3.1
83.08606	52.0
85.02883	2.1
85.06518	5.6
85.10170	3.7
91.05454	5.2
93.07036	29.3
95.04935	3.4
95.08595	96.1
96.08910	2.6
97.06490	5.2
97.10153	29.1
99.08084	11.2
105.07002	6.9
107.08583	28.2
109.02844	1.6
109.06509	2.0
109.10141	88.3
111.04426	2.8
111.08054	3.3
111.11701	16.1
113.09629	8.3
117.06992	2.8
117.70809	1.3
119.08539	3.3
121.02872	14.2
121.06508	1.9
121.10123	33.5
123.11692	58.8
125.09596	1.8
125.13279	7.5
127.11190	11.5
131.08580	2.5
133.10103	2.9
135.11662	28.4
137.13240	37.9
138.13623	1.6
139.11157	2.6
139.14827	1.6
141.12729	10.8
145.08153	1.4
145.10094	4.2
149.13237	14.8
151.14754	9.6
153.12733	8.4
163.11157	5.5
163.14830	10.8
165.16376	7.2
169.06711	1.4
169.10121	1.9
177.16359	18.0
179.17905	12.5
183.17395	2.3
191.10803	2.0
191.17937	20.4
192.18369	1.5
195.08049	1.9
198.58330	1.4
205.19463	4.7
209.18961	2.6
223.07770	1.7
223.20621	3.0
227.12730	4.9
240.07779	2.0
247.24168	23.1
265.25223	26.3
266.25626	2.5
268.07065	1.9
282.60809	1.5
283.09616	10.9
283.15280	8.5
283.20825	3.5
283.26279	75.5
284.26498	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.205
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03931	3.1
55.01856	6.9
55.05258	2.3
55.05505	25.5
57.03435	10.4
57.07065	6.2
59.04986	2.9
65.03908	1.9
67.05489	23.7
69.03403	7.7
69.07059	16.9
69.40327	10.0
69.40756	6.5
71.04986	15.4
71.08591	1.8
79.05481	29.7
81.03385	6.6
81.07047	47.2
83.01331	5.8
83.04973	9.6
83.08607	12.8
85.02901	1.9
85.06522	3.4
89.60095	1.9
90.78649	1.9
91.05461	27.9
93.06463	2.9
93.07031	50.2
95.04952	17.1
95.08594	27.8
95.37988	1.8
97.06509	8.9
97.10161	4.1
98.20760	4.0
99.04424	2.9
105.07013	49.5
107.04937	4.6
107.08590	40.8
109.06496	9.8
109.10143	23.7
111.04422	5.0
111.08051	3.0
115.05441	3.4
117.06249	2.0
117.06996	13.4
119.04948	1.7
119.07785	3.5
119.08566	43.3
121.02868	2.8
121.06504	12.3
121.10128	67.7
121.51657	2.2
123.08079	8.2
123.11681	7.7
125.05972	2.0
125.09613	2.4
128.06180	6.1
129.06995	4.5
130.07747	5.8
131.08556	33.0
133.06458	1.8
133.10110	34.9
135.08043	9.5
135.11670	18.2
137.09584	3.1
141.06947	2.2
142.07724	5.8
143.08524	21.7
144.09302	3.3
145.10101	53.6
147.08000	3.9
147.11674	12.6
149.09593	4.4
149.13197	4.1
153.12740	5.1
155.08511	4.9
156.09290	5.6
157.10062	18.9
158.10938	4.3
159.08015	4.8
159.11674	15.4
161.09607	26.2
161.13242	7.2
163.11159	26.0
167.08591	3.2
168.09280	1.7
169.10120	4.9
170.10918	4.0
171.08005	2.2
171.11662	15.9
173.09601	5.7
173.13240	65.2
175.11156	6.0
175.14764	7.4
179.08527	5.5
181.10103	4.7
181.12157	5.4
182.10884	2.4
183.11649	5.3
185.09653	3.7
185.13242	12.4
187.14743	9.4
189.12581	3.0
191.14340	4.4
193.10045	1.8
194.10938	8.0
195.11653	7.6
197.13193	6.7
199.11111	5.1
199.14810	7.4
201.12830	2.5
201.16322	2.9
209.11853	2.7
209.13243	13.6
210.13928	3.4
213.12704	2.4
213.16342	3.9
215.14333	2.1
223.14780	6.9
225.16336	5.0
227.12669	5.9
227.14343	7.2
235.14848	3.4
239.17834	1.8
250.17180	2.8
250.79106	1.7
255.21130	8.4
265.19540	20.0
283.15607	28.8
283.20520	100.0
284.20914	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	283.1537
Annotation	Lactarolide B
Peak:m/z	Relative Intensity
50.41168	0.9
51.02373	0.8
53.03938	3.0
55.01857	2.6
55.05503	5.3
57.03428	1.3
57.07059	2.8
60.28579	0.8
65.03931	4.6
67.05161	1.4
67.05499	18.3
68.05753	0.9
69.03422	7.9
69.07061	3.6
69.96545	4.7
70.06583	4.2
71.04984	3.3
71.08613	1.0
79.05482	9.2
81.03417	6.6
81.07047	13.2
83.04976	12.3
83.08621	1.6
85.02909	5.5
85.06546	1.1
87.14455	0.8
91.05466	12.5
92.45766	0.9
93.03410	1.2
93.07036	16.3
95.04958	14.6
95.08588	10.0
97.02872	7.5
97.06531	5.0
97.07114	1.0
97.10165	0.9
98.97571	1.3
99.04417	4.2
103.05466	1.4
105.07016	25.7
107.04926	3.4
107.08579	16.5
109.02840	5.4
109.06485	6.9
109.10153	9.0
111.04429	38.9
111.08067	3.0
112.07601	3.5
112.67155	1.0
113.05993	2.3
113.97654	0.9
114.64526	0.8
117.06990	7.9
119.04959	1.3
119.08566	19.2
121.02853	100.0
121.06490	8.2
121.10126	9.5
122.03192	2.4
123.04442	1.2
123.08034	5.7
123.11630	1.0
125.05940	2.1
125.09650	1.8
127.03874	2.1
128.06213	5.0
129.06955	5.9
130.07747	1.5
131.04915	1.1
131.08565	17.4
133.06497	3.8
133.10109	9.3
135.04417	1.9
135.08049	6.9
135.11722	1.5
137.05981	2.4
137.09615	6.3
137.10536	1.0
139.03879	11.6
139.07550	2.5
140.07022	1.4
141.05461	1.2
141.06995	3.1
142.07732	4.2
143.08557	14.8
144.09308	2.5
145.06451	5.0
145.10110	18.5
147.08026	11.9
147.11687	3.2
149.06001	3.9
149.09608	7.0
151.07535	2.0
153.01775	1.0
153.06978	1.1
153.09146	2.2
154.07719	1.1
155.07132	1.1
155.08553	2.5
155.10634	2.2
156.09358	2.4
157.05116	0.9
157.06487	3.6
157.10103	12.7
159.08081	5.6
159.11670	21.3
161.09602	7.2
161.13274	2.2
163.07541	3.5
163.11194	2.2
165.09135	2.8
167.08498	1.1
167.10626	4.7
168.09399	2.1
169.10110	3.2
170.10922	1.0
171.08035	4.8
171.11656	5.3
172.08791	1.5
173.09607	4.0
173.13240	13.4
175.07547	5.3
175.11191	5.2
175.14812	1.9
177.09056	1.5
177.12773	1.6
181.10110	1.3
183.11697	7.4
185.09650	5.5
187.07504	2.1
187.11162	20.0
187.12770	1.5
189.09122	8.0
189.12717	5.3
191.10706	1.7
191.14322	2.8
193.08543	4.3
199.11159	7.1
201.08981	1.4
201.12704	16.6
203.10603	5.2
205.12230	10.4
207.10156	2.4
211.11206	4.2
217.12250	13.4
219.13748	12.7
229.12215	16.9
235.13293	6.2
237.14816	2.5
247.13252	27.0
265.07037	4.6
265.14328	50.3
266.14691	1.1
283.08188	2.6
283.15375	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Pseudomajucin
Peak:m/z	Relative Intensity
53.03933	2.5
55.01856	4.4
55.05499	9.3
56.96558	1.7
57.03445	2.4
57.07055	5.4
58.09985	1.1
59.82419	1.0
65.03922	4.5
67.05493	13.4
69.03418	20.0
69.07050	7.7
70.06582	9.2
70.15627	6.4
71.04989	12.1
71.08629	3.3
73.02908	1.7
79.05492	11.5
81.03409	12.3
81.07046	23.4
83.04967	14.7
83.08601	5.3
84.87788	1.1
85.02888	10.5
85.06538	2.3
86.06060	1.8
89.05975	1.2
91.05465	20.0
93.03448	2.6
93.07023	21.8
95.04964	13.3
95.08604	9.2
96.04456	1.8
97.02892	7.2
97.06501	8.2
97.10127	2.0
98.97568	2.0
99.04440	4.9
103.05472	1.9
105.03438	1.6
105.07008	27.7
105.07672	2.3
107.04926	3.0
107.08588	14.2
109.02878	12.4
109.06499	16.6
109.10162	6.7
111.04426	12.1
111.08076	5.1
112.07599	8.6
113.05962	3.5
115.05491	1.9
116.98612	1.3
117.07019	13.3
119.04887	1.3
119.08560	25.0
121.02853	100.0
121.06487	27.7
121.10125	6.5
123.04432	1.5
123.08012	12.9
124.07574	7.1
125.02348	1.7
125.05983	2.3
125.09632	2.7
127.03900	6.1
128.06226	3.6
129.05473	10.3
129.06995	7.3
130.07767	1.7
131.08553	18.5
133.06458	4.2
133.10092	14.8
135.04411	5.2
135.08034	17.3
135.11661	4.4
137.05968	3.8
137.09625	6.0
139.03896	13.1
139.07478	2.2
140.07053	2.1
141.05495	1.3
142.07713	2.9
142.08635	28.5
143.08542	14.0
144.09303	2.9
145.04919	1.6
145.06445	4.3
145.10100	33.3
146.05110	1.3
146.07239	1.4
147.08008	9.1
147.11676	7.6
149.06017	3.0
149.09581	4.1
151.07556	2.5
153.01788	7.4
153.05405	1.5
155.06989	1.5
155.08472	1.7
155.10599	1.5
157.04933	1.9
157.10121	16.7
158.07175	1.5
159.08049	17.6
159.11670	22.8
161.05965	2.1
161.09598	21.9
161.13210	1.9
163.07504	3.8
163.11131	2.3
165.09076	2.6
167.07021	1.4
168.09373	2.2
169.10036	3.5
171.11665	3.8
173.09615	12.3
173.13245	5.0
175.07458	2.6
175.11159	15.8
177.09091	5.6
181.04756	1.3
183.11694	4.2
185.09598	5.3
187.11160	13.2
189.09045	6.0
189.12720	2.6
191.10780	1.8
193.08606	6.0
195.03505	3.1
196.04202	3.2
199.11154	2.0
201.12718	6.5
203.10637	9.0
205.12231	7.5
207.10249	3.4
209.08022	1.8
211.11212	2.2
217.12184	5.8
218.16461	1.5
219.13832	5.2
221.11642	4.0
223.13318	1.3
225.11229	3.5
229.12173	5.4
235.13255	10.7
247.13248	13.1
247.24191	1.8
251.09087	1.5
253.14325	5.8
265.06952	4.5
265.14270	24.1
268.97675	2.1
283.05219	1.6
283.07941	4.9
283.10486	3.0
283.15341	35.2
284.05734	7.7
284.11185	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1535
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03933	4.5
55.01628	1.6
55.01868	24.2
55.05502	39.9
57.03430	33.3
57.07051	5.5
59.04982	7.9
65.03933	2.4
66.30181	1.5
67.05177	2.3
67.05499	31.2
68.78803	1.5
69.03400	2.6
69.07062	14.1
70.04659	8.5
71.01315	2.1
71.04977	8.6
79.05485	37.5
81.03402	17.9
81.07049	42.3
83.01337	21.6
83.04488	1.7
83.04970	26.1
83.08610	26.0
85.02869	5.7
85.06510	1.7
91.04966	1.9
91.05469	24.7
93.07032	60.7
95.04973	14.4
95.08595	39.7
96.69250	1.3
97.02847	5.7
97.06522	9.4
97.10123	2.5
99.04420	5.6
105.07024	22.7
107.04942	14.9
107.07867	2.5
107.08579	39.6
109.06518	9.5
109.10105	6.6
111.04407	6.7
111.08048	4.1
115.65905	1.5
117.07004	14.9
119.07802	2.2
119.08570	25.0
121.02855	2.1
121.06493	9.8
121.09312	2.0
121.10127	28.3
123.08080	12.3
125.05920	3.5
125.09562	3.2
126.47050	1.6
129.06978	3.8
130.07707	2.1
131.08516	6.4
133.10103	10.5
135.08020	5.3
135.11674	50.2
137.09508	2.3
143.08488	5.2
145.06450	2.6
145.10106	43.0
147.07976	5.4
147.11613	6.7
149.05949	1.6
149.09563	2.3
149.13257	2.1
153.12732	9.1
155.08504	3.9
157.10110	3.2
159.11638	2.7
159.17052	2.0
163.11156	80.0
169.10155	1.6
171.11583	2.4
173.09581	5.8
173.13251	2.6
181.12213	18.7
183.11581	3.5
185.13271	2.5
191.10591	6.2
199.14789	3.9
201.16251	2.0
209.11662	18.5
209.13377	2.1
213.16292	1.5
227.10474	3.1
227.12750	69.1
283.15283	100.0
283.20453	10.8
283.23932	22.3
284.15601	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1535
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.79983	1.1
53.03938	2.4
55.01860	19.6
55.05503	34.8
57.03429	39.8
57.07063	2.5
59.04986	6.5
60.46913	1.2
65.46815	1.2
66.92164	1.5
67.05161	1.7
67.05492	22.8
69.03408	2.4
69.07046	6.9
70.04412	6.7
71.01328	1.8
71.04993	8.5
78.76049	1.2
79.05479	30.6
81.02992	1.1
81.03416	17.2
81.07043	30.2
83.01328	20.6
83.04962	23.1
83.08601	26.1
85.02895	6.8
85.06518	1.9
86.02880	1.4
89.06033	1.7
91.05467	20.6
93.07027	44.8
95.04939	12.3
95.08583	15.0
97.02863	3.5
97.06514	7.7
97.10137	4.2
99.04437	5.4
99.08062	2.3
105.06998	16.3
107.04944	14.6
107.08578	20.8
109.06506	11.6
109.10137	3.3
111.04405	7.0
111.08035	5.0
117.07005	12.0
119.00850	1.2
119.08556	14.1
121.06473	5.7
121.10119	13.9
123.08047	17.4
125.05964	4.5
125.09585	3.1
125.73414	1.2
128.06154	1.1
129.06987	2.4
130.07758	2.9
131.08549	4.7
133.10062	4.5
133.13544	1.2
135.08025	4.9
135.11659	25.1
137.09601	2.4
145.10092	29.8
147.07993	3.2
153.12689	6.6
155.08495	2.7
163.11150	57.8
164.11459	1.4
173.09570	6.7
181.12187	9.8
189.85947	1.2
191.10648	6.9
209.11697	22.3
227.12744	15.0
251.36383	1.3
283.15353	100.0
284.15710	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	283.117
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
53.03930	1.5
55.01854	1.8
55.05502	2.3
57.03422	1.9
57.07059	0.4
59.83195	0.4
61.02902	0.6
61.62485	0.5
65.03925	5.5
67.05489	3.1
69.03412	7.3
69.07052	2.9
69.70815	2.2
69.71226	0.5
70.06576	0.6
71.01322	0.4
71.04976	3.0
73.02920	0.6
79.05478	2.3
81.03401	9.8
81.07063	2.3
81.58607	0.5
82.04168	1.0
83.04970	3.0
83.08606	0.7
85.02883	8.1
85.06519	1.3
91.05463	2.6
93.03364	1.0
93.07031	2.4
95.04959	6.7
95.08591	0.9
97.02853	2.0
97.06504	2.5
98.21474	0.6
99.04415	2.7
101.05976	0.6
103.05458	0.5
105.03383	0.9
105.07014	1.7
107.04963	2.0
107.08581	1.2
108.02148	0.4
109.02857	4.7
109.06528	0.6
109.10147	0.7
110.03641	1.6
111.04427	3.6
111.08058	0.9
112.07608	0.9
115.05441	2.2
116.06181	0.4
116.23389	0.5
117.06992	1.8
119.08569	1.4
121.02843	100.0
121.06460	1.1
121.10123	1.3
122.03181	1.5
123.04408	0.9
123.08027	0.6
125.06001	1.6
127.03919	2.1
129.06967	1.0
131.04893	1.1
131.08551	1.0
132.05678	0.9
133.06456	1.2
133.10071	0.4
135.07968	0.7
135.11656	1.0
137.05977	0.6
138.03122	0.8
139.03882	8.7
139.07553	0.7
139.11174	0.7
140.04654	0.5
141.05531	0.4
142.02588	1.6
142.50742	0.5
143.04909	0.9
144.05669	1.0
145.06459	2.8
145.10107	0.5
147.04321	0.5
147.08014	2.4
149.05983	0.9
151.03860	0.5
153.05449	1.9
154.06113	0.4
159.08052	0.9
159.11760	0.4
160.05197	1.0
161.05939	2.1
163.07582	0.5
163.11168	0.7
165.05315	0.5
167.07027	1.7
167.10709	0.4
171.06485	3.4
173.05936	1.5
174.06761	0.7
175.07536	4.0
177.05440	1.4
177.06876	0.5
177.09138	0.5
181.04919	73.9
182.05338	1.0
183.06511	0.9
187.07500	1.0
189.05417	0.9
190.06165	1.0
191.07014	1.0
195.08061	0.7
201.05406	0.5
202.06209	1.0
203.07008	1.8
205.08701	0.7
207.06502	1.2
209.08107	0.9
211.14790	0.4
221.08119	1.2
223.07654	1.0
223.09622	0.8
225.05368	0.4
227.12793	0.7
233.08147	0.6
235.09515	0.9
240.07816	0.7
251.06876	0.9
251.09166	0.8
253.10660	59.9
254.11026	1.6
265.07092	7.6
265.10690	18.1
265.17975	0.8
266.07492	0.6
268.07272	0.6
283.11758	54.6
284.12064	1.0
284.18433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86277	0.2
53.03936	1.0
55.01856	0.5
55.05496	0.5
57.03423	1.1
57.07058	0.4
61.02902	0.2
65.03920	1.8
67.05486	0.6
69.03421	4.3
69.07050	0.6
69.25537	0.2
70.06581	1.9
71.01340	0.2
71.04961	0.6
71.11189	0.6
73.02923	0.3
79.05495	0.3
81.03407	6.9
81.07049	0.6
83.04981	0.4
83.08622	0.5
84.99795	0.2
85.02893	5.3
85.06464	0.2
89.06013	1.0
91.05443	0.4
93.07025	1.0
95.04955	5.8
95.08604	0.5
97.02896	2.1
97.06503	0.4
97.10153	0.2
97.14013	0.2
99.04433	0.8
102.00701	0.3
105.07027	0.3
107.08584	0.6
109.02860	4.8
109.06481	0.2
111.04438	2.2
111.08064	0.3
112.07582	2.5
121.02849	100.0
121.10129	0.4
122.03136	1.2
127.03875	2.2
131.04922	0.3
131.08574	0.5
133.08604	0.5
139.03882	10.2
139.07523	0.4
140.07028	0.9
143.08554	0.2
145.04961	0.3
153.01808	1.0
154.62175	0.2
157.10178	0.2
164.48492	0.2
167.06944	0.3
179.07144	0.3
181.04938	0.4
187.11102	0.3
205.08365	0.2
207.10176	0.4
235.13278	0.3
237.08980	0.3
247.13358	0.4
253.10730	0.2
265.07031	5.7
265.10486	0.4
265.11041	0.4
265.14288	1.2
265.25336	0.3
271.04605	0.4
283.07980	2.0
283.15384	0.8
289.51730	0.3
296.61523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.1
53.03938	0.8
55.01851	0.2
55.05523	0.1
57.03426	0.7
61.02926	0.3
65.03925	1.9
65.18726	0.1
67.05485	0.2
68.99773	0.1
69.03418	3.9
69.07037	0.3
69.58462	0.5
69.58868	0.3
70.06585	0.2
71.01336	0.2
71.04974	0.4
73.02879	0.2
79.01807	0.1
79.05473	0.2
81.03403	5.2
81.07034	0.3
83.04946	0.3
85.02891	5.5
86.70420	0.1
89.05991	0.1
91.05504	0.2
93.07034	0.2
95.04950	5.3
95.08593	0.2
97.02872	1.4
99.04428	0.7
107.08530	0.1
109.02862	3.2
111.04413	2.0
112.07600	0.1
121.02845	100.0
122.03186	1.3
127.03878	1.3
138.09137	0.3
139.03874	9.8
140.06982	0.2
145.04936	0.2
145.10103	0.2
161.05940	0.1
167.49466	0.1
181.04979	0.2
191.07040	0.2
237.09184	0.2
239.83070	0.1
247.13231	0.2
265.07028	4.5
265.14322	0.2
266.07312	0.1
283.07947	2.4
283.10858	0.2
283.15247	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
53.03937	1.1
55.01856	0.6
55.05489	0.3
57.03437	0.8
57.07061	0.3
61.02921	0.3
65.03926	1.9
67.05482	0.5
69.03416	4.3
69.07042	0.6
70.06571	0.7
71.01317	0.3
71.04961	0.5
71.46184	0.4
73.02904	0.3
79.05479	0.3
81.03404	7.1
81.07050	0.4
83.01353	0.2
83.04960	0.4
83.08598	0.4
85.02892	5.1
91.05492	0.2
93.03294	0.2
93.07027	0.5
95.04953	6.0
95.08601	0.4
97.02877	2.1
97.06527	0.3
99.04446	1.3
105.06953	0.2
109.02867	4.2
109.10207	0.2
111.04427	2.3
112.07597	0.7
115.07571	0.2
117.07034	0.2
119.08545	0.2
121.02850	100.0
121.10133	0.3
122.03159	1.6
123.07942	0.2
127.03897	2.0
127.88200	0.2
135.08147	0.2
139.03882	9.2
140.07036	0.3
145.04932	0.3
153.01837	0.3
157.04907	0.3
181.04999	0.2
202.84718	0.2
219.06552	0.2
223.05882	0.2
251.28584	0.2
262.06934	0.6
265.07022	6.0
271.07666	0.4
283.07977	2.5
283.16312	0.2
284.08334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01851	1.0
55.05500	0.6
57.03409	1.0
61.02893	0.4
65.03924	2.7
67.05475	1.0
68.99780	0.3
69.03069	0.4
69.03422	4.9
69.07062	0.6
69.64557	1.8
71.01316	0.6
71.04967	1.1
73.02891	0.3
79.05472	0.9
81.03410	9.7
81.07033	0.8
83.04951	0.9
83.08547	0.4
85.02421	0.4
85.02896	5.5
85.06490	0.5
89.47311	0.3
91.05456	1.1
93.03381	0.6
93.07021	1.2
95.04954	6.0
95.08577	0.7
97.02869	1.9
97.06519	0.5
98.20730	0.4
99.04456	1.4
101.05981	0.4
103.05457	0.3
105.06993	1.0
107.04937	1.1
107.08572	0.6
109.02858	4.3
109.10114	0.5
110.03672	0.4
111.04433	3.7
111.08056	0.5
115.05437	0.6
117.06982	0.6
119.08575	0.8
120.08051	0.3
121.02849	100.0
121.10112	0.5
122.03170	1.3
123.04385	0.4
124.53686	0.3
125.05996	0.7
127.03879	1.6
128.06168	0.4
129.07030	0.4
131.04881	0.5
131.08557	0.4
133.06477	0.4
137.05898	0.3
138.03137	0.4
139.03882	8.9
143.04953	0.4
145.06425	0.7
147.08032	0.6
152.06198	0.4
153.05444	0.7
160.05185	0.2
161.05949	0.6
163.07550	0.3
163.11214	0.3
165.05548	0.3
167.07080	0.4
171.06519	1.0
173.05925	0.6
173.09644	0.4
175.07549	1.4
177.09064	0.3
181.04926	19.0
183.06522	0.3
189.05447	0.4
191.06992	0.5
195.08038	0.4
203.07051	0.9
207.06467	0.4
209.08160	0.3
221.08066	0.4
233.08116	0.5
235.09619	0.7
240.07797	0.6
251.07002	0.6
253.10678	15.2
258.01263	0.3
265.07092	6.5
265.10684	6.0
265.13675	0.4
265.14709	0.4
265.17810	0.4
268.07117	0.3
283.08392	1.5
283.11780	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	282.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59566	0.3
53.03936	0.6
55.01863	0.7
55.05497	1.3
56.77050	0.3
57.03428	0.6
57.07057	0.6
58.52042	0.3
59.04173	0.3
65.03943	0.5
67.05494	1.2
68.05024	0.7
69.03418	1.7
69.07064	2.0
70.06567	0.8
71.04988	0.7
71.62379	0.5
79.05471	2.1
80.05002	1.9
80.59375	0.3
81.03402	3.9
81.07050	2.4
82.06567	0.4
83.04986	0.7
84.04473	0.6
84.08128	0.3
85.02877	2.3
85.06503	0.4
86.06049	1.0
87.04455	14.5
91.05458	1.2
93.07031	4.1
94.06540	0.4
95.04958	2.2
95.08600	2.0
96.08131	0.6
97.02880	0.9
97.06535	0.6
98.06026	1.3
98.09686	0.4
99.04449	0.6
102.05514	0.4
105.07022	0.8
106.31358	0.3
107.04943	1.0
107.08596	2.2
108.08128	2.2
109.02852	3.0
109.06554	0.4
109.08904	0.4
109.10140	0.9
110.03137	0.3
110.09645	1.8
111.04427	1.0
111.08062	0.4
116.07033	0.5
117.06900	0.3
119.08549	0.5
120.04436	0.7
120.08097	0.5
121.02848	25.7
121.06463	0.8
121.10133	1.0
122.09656	2.8
123.10437	0.7
123.11681	1.2
124.07600	0.5
124.11190	0.5
126.41077	0.3
127.03893	0.6
131.04895	0.7
131.08577	0.4
133.10156	0.5
135.11682	3.1
136.07562	0.7
136.11182	1.2
137.05922	0.5
137.13196	0.4
139.03879	2.4
139.11150	0.4
143.04924	0.3
147.04372	0.4
149.05919	0.4
150.09172	0.4
150.12747	3.7
151.13503	1.0
152.14320	12.6
152.15565	0.6
164.10747	0.4
166.07320	0.6
166.08617	3.4
175.07426	0.3
177.05501	0.5
180.10219	0.7
181.04942	1.3
181.10950	0.9
184.09651	0.8
184.13278	1.0
193.03276	0.4
194.11717	1.9
195.08049	0.6
195.12326	0.7
196.13260	1.0
196.16939	0.4
208.13292	3.9
209.14003	1.1
210.14842	0.6
220.13306	0.4
220.16866	0.3
223.07591	0.4
233.08026	0.3
234.09006	0.3
236.16498	0.6
238.17973	100.0
239.18265	2.7
240.19472	0.6
251.09091	0.8
253.10632	0.3
254.08817	0.3
255.10139	0.3
264.09473	0.3
264.20010	0.3
265.06931	1.6
265.10617	1.3
265.18176	0.3
267.06488	0.4
276.70248	0.3
282.17288	4.1
282.20572	84.1
283.09268	0.5
283.12003	0.7
283.15179	0.6
283.20880	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
53.03943	8.2
55.01847	4.0
55.05502	31.3
57.03430	29.2
57.07067	10.8
65.03912	3.6
67.05495	93.8
69.03394	2.9
69.07059	25.2
71.04964	4.8
71.08617	8.4
73.06525	3.0
79.05483	100.0
81.03410	17.6
81.07046	86.1
83.04971	38.7
83.08215	1.3
83.08613	17.2
85.06528	5.5
91.05469	70.4
91.34334	1.1
93.07033	77.9
95.04955	30.6
95.08591	55.2
97.02854	3.4
97.06512	8.5
97.10140	9.9
99.08054	3.4
103.05438	2.2
105.04548	1.5
105.07017	51.6
107.04939	10.1
107.08580	30.3
109.06513	10.8
109.10140	16.7
111.08036	4.3
111.11703	2.0
115.05411	2.1
117.07006	11.1
119.04910	2.2
119.08562	36.8
121.06477	4.4
121.10123	8.5
123.08076	8.8
123.11661	5.7
125.09608	2.3
127.07511	1.6
127.11354	1.1
128.06190	3.3
129.06992	21.0
131.08524	3.1
133.06487	2.1
133.10123	14.8
135.07985	3.1
135.11644	4.1
137.09573	1.4
137.13235	4.2
139.11156	2.3
143.08551	10.6
145.10112	13.8
147.08000	4.6
147.11665	46.8
149.13240	2.7
151.11130	1.2
159.11647	2.2
161.09604	8.1
161.13231	20.0
163.11150	3.0
163.14793	1.4
165.09084	1.4
171.11668	34.9
179.14230	2.2
181.04851	1.8
189.12709	15.4
192.56303	1.2
207.13791	20.2
211.11160	1.2
221.08138	1.4
221.71097	1.3
263.19766	1.7
281.07809	1.7
281.17419	83.2
281.24689	3.6
281.28311	11.1
282.17673	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.58657	1.1
52.32548	1.1
52.37732	1.2
53.03936	9.1
55.01867	5.9
55.05503	43.6
57.03429	28.6
57.07056	3.2
65.03918	5.3
67.05495	87.9
69.03399	5.3
69.07059	19.3
70.93314	3.9
71.04967	4.3
71.08626	1.8
73.06536	3.3
75.66832	1.4
79.05482	100.0
81.02966	1.6
81.03407	15.7
81.07043	70.0
83.01567	1.3
83.04970	36.9
83.08606	12.2
85.06512	4.2
87.10333	1.2
89.40451	1.2
91.05467	68.8
92.05807	1.3
93.07031	78.4
95.04359	1.7
95.04958	29.0
95.08592	43.7
97.02875	3.2
97.06514	7.3
97.10151	15.8
103.05423	1.9
105.07014	53.5
107.04930	10.2
107.08580	32.2
109.06501	7.6
109.10130	10.6
111.08054	3.1
113.09647	1.5
117.07002	10.8
117.88976	1.6
119.07787	2.3
119.08570	35.1
121.06454	4.3
121.10101	6.9
123.08047	8.3
123.11669	4.2
125.09587	3.2
127.07508	2.5
128.06137	2.1
129.06976	19.4
131.08525	3.4
133.06422	1.7
133.10123	17.2
135.07948	1.8
135.11630	4.3
137.13220	2.5
139.07364	1.3
143.08531	8.5
145.10135	14.2
147.07994	2.9
147.11667	46.9
149.02347	1.6
150.02672	1.4
151.02847	1.9
151.11096	1.6
156.09322	1.5
159.11659	2.0
161.09607	7.8
161.13235	23.8
163.11151	2.1
171.11664	36.9
177.16515	1.4
179.14281	2.3
183.12061	1.1
187.14796	1.3
189.12735	14.4
203.06924	1.6
207.13782	21.3
207.56609	1.4
245.22438	2.3
263.09082	1.6
263.23703	1.4
274.34659	1.2
281.17410	82.0
281.24612	3.3
282.17529	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64739	0.2
54.03461	1.5
54.93929	0.3
55.04237	2.1
56.96560	0.3
69.78394	0.6
69.78796	1.4
70.02962	0.4
72.50239	0.3
81.04532	10.9
82.05316	6.8
85.02881	0.5
91.05460	0.4
97.07636	0.3
98.20791	0.3
101.05987	0.5
105.97028	0.3
108.05580	0.9
110.07133	0.6
122.07143	19.4
123.07920	100.0
124.08280	0.6
136.06100	0.3
150.02672	0.3
151.02742	0.5
153.01802	0.7
160.04291	1.2
165.07712	6.2
206.72845	0.3
281.10645	82.5
282.10870	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.7
55.05499	4.4
57.03419	0.5
57.07050	2.3
67.05485	4.5
69.03397	1.9
69.07063	5.7
71.04972	1.9
71.62151	0.5
71.62517	0.6
77.92433	0.4
79.05466	2.1
81.03425	1.2
81.07049	16.1
83.04951	1.0
83.08591	1.8
85.02934	0.5
85.06519	1.7
86.06023	0.6
91.05468	4.5
93.07027	4.5
93.98576	0.5
95.04951	0.5
95.08596	13.1
97.06544	0.9
97.10160	4.2
99.04488	0.6
99.08064	0.7
103.05453	1.0
105.07013	3.7
107.08586	4.3
109.02855	1.6
109.06499	1.7
109.10156	7.3
111.08060	0.9
111.11716	0.7
113.09614	0.6
115.05440	6.4
116.06225	2.5
117.07008	4.7
119.04903	0.8
119.08553	2.3
121.06473	0.6
121.10146	2.8
123.07961	1.1
123.11702	8.9
124.54469	0.5
125.09603	1.4
127.03895	0.9
127.07545	0.8
128.06171	2.9
129.06996	6.1
130.07768	0.9
131.04884	3.0
131.08557	5.7
132.05688	0.6
133.06454	1.7
133.10092	1.5
135.08020	0.8
135.11649	1.7
137.05975	0.9
137.09569	1.2
137.13240	6.5
139.11177	0.9
141.06982	1.5
143.04887	4.6
143.08498	1.4
143.10603	0.6
144.05663	5.2
145.06467	11.0
145.10083	2.1
147.04381	0.6
147.08008	1.1
147.11682	2.4
149.05907	0.5
149.13255	1.5
151.07472	0.7
153.12663	0.7
155.04875	0.8
155.06017	1.2
157.06464	4.3
158.07243	2.9
159.04459	2.4
159.08037	10.4
160.05165	3.5
161.05948	4.3
163.11151	0.6
165.12669	1.1
170.03671	0.8
171.04391	8.2
171.08069	0.8
172.05165	1.4
173.05963	21.9
173.09554	2.7
174.06609	0.9
175.07539	5.4
175.14786	0.9
177.05481	2.1
177.16362	1.2
179.10756	0.8
181.04869	1.0
185.05949	8.7
186.06760	0.7
187.07523	12.7
188.04657	7.9
189.05423	7.0
189.09009	0.8
189.16296	0.7
190.06212	7.8
191.07022	4.3
199.03891	3.4
201.05429	1.5
201.09084	2.1
203.07007	39.3
204.04076	0.6
204.07759	7.9
205.04979	0.9
205.08505	1.2
206.02058	1.5
207.10219	1.0
213.05388	2.3
216.04205	1.7
217.04903	1.4
217.08551	2.1
219.06500	7.1
221.04396	6.6
221.07860	1.2
221.09709	1.2
231.06494	20.7
245.08049	6.1
245.22612	1.3
249.07544	100.0
250.07802	1.5
253.12241	1.0
263.09113	26.9
263.16388	1.2
263.23666	2.0
264.09454	0.5
267.06244	0.6
281.09818	2.1
281.11459	2.6
281.14297	0.8
281.17563	1.6
281.24710	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	279.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70159	0.8
51.02375	0.7
53.03948	2.7
54.91020	0.7
55.01863	2.0
55.05503	19.3
56.09549	0.7
57.03429	0.9
57.07067	38.7
59.04990	8.2
65.03933	2.3
67.05496	14.1
69.03413	3.8
69.07056	78.1
69.36680	0.6
69.65422	5.7
70.07388	0.7
71.04986	3.2
71.08620	21.3
71.08994	1.5
73.00996	0.6
73.05321	0.7
76.97302	0.7
79.01846	3.1
79.05478	7.3
81.03410	7.9
81.07042	40.0
83.04957	1.8
83.08605	32.5
83.09103	1.7
84.83186	0.8
85.02901	0.9
85.06504	3.8
85.10170	2.0
91.05463	4.0
93.03397	0.8
93.07024	18.4
93.84621	0.7
95.04955	16.4
95.08588	41.9
97.02901	0.8
97.06512	5.8
97.10142	9.2
99.04458	1.2
99.08067	1.7
105.07001	5.3
107.08580	18.8
109.02863	7.2
109.06499	2.1
109.10141	28.9
110.03662	1.3
111.04408	0.7
111.08045	3.3
111.11706	12.8
113.09627	0.8
113.13266	2.7
115.05396	1.1
117.06992	1.4
119.04915	0.9
119.08543	3.4
121.02859	3.9
121.03912	1.0
121.10121	15.0
123.11678	24.7
125.02319	2.3
125.09604	2.3
125.13236	2.9
127.03863	4.0
131.08543	1.3
133.06439	2.2
133.10139	2.2
135.08047	1.7
135.11665	14.4
137.13231	10.3
139.11147	2.7
141.12709	2.3
143.03363	5.8
145.10104	1.9
147.08064	0.7
147.11649	1.9
149.02318	100.0
149.09570	1.0
149.13229	14.5
150.02698	2.0
151.11166	1.4
151.14825	2.9
153.01805	59.4
153.02850	2.1
153.12729	5.5
154.02132	2.8
157.10219	0.9
159.11636	2.0
161.05943	2.0
161.13239	1.0
163.14799	4.5
165.16379	2.9
167.03337	1.7
167.14261	2.5
169.15878	0.8
173.13235	1.8
177.16356	3.6
179.17894	1.2
180.11322	0.7
181.04907	4.0
183.17378	1.9
187.03819	0.7
187.18840	1.7
189.05428	0.9
191.17926	3.4
195.17450	1.3
197.13170	0.8
205.04910	1.1
205.08572	1.3
205.19556	4.2
209.18950	2.5
219.08154	1.0
221.08002	4.1
223.20393	1.2
229.04123	0.7
231.21358	1.1
233.04523	0.9
243.17531	0.8
261.03857	1.1
261.18460	2.6
261.21719	0.9
261.22736	0.9
261.25735	12.3
264.07767	1.1
267.29303	0.8
279.04898	28.9
279.08566	9.1
279.15979	1.7
279.19653	2.9
279.23447	8.5
279.26733	69.1
280.05212	2.6
280.27124	0.9
288.04742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01863	1.2
55.05501	19.6
57.07066	24.4
59.04991	11.0
65.03947	1.1
67.05493	11.6
69.03416	2.4
69.07058	72.6
69.93465	2.4
71.04984	1.8
71.08617	4.2
73.06555	0.7
79.01836	0.6
79.05478	4.9
81.03407	1.0
81.07045	31.6
83.04967	1.1
83.08607	30.4
85.06541	2.5
85.10172	1.3
91.05463	3.4
93.03355	0.5
93.07030	17.8
95.04945	1.2
95.08591	37.4
97.02893	0.9
97.06516	4.2
97.10154	9.2
98.20809	0.9
99.08100	1.2
105.07005	2.8
107.08578	16.8
109.02831	1.1
109.06507	1.3
109.10139	25.0
111.04517	0.5
111.08079	3.3
111.11699	12.0
113.09674	0.7
119.04945	1.4
119.08577	1.9
121.02857	4.2
121.10127	13.0
123.04415	0.6
123.08069	0.7
123.11681	14.1
125.02307	0.5
125.09607	1.7
125.13251	2.1
127.03912	0.9
131.08600	0.6
133.06458	0.4
133.10115	1.4
135.11681	13.6
137.13239	8.6
139.11168	2.7
143.03403	0.8
145.10114	0.9
147.04398	10.2
147.11678	0.7
149.02321	100.0
149.09613	0.6
149.13237	13.8
150.02612	2.9
151.14836	2.6
153.01826	10.6
153.02989	1.1
153.12717	2.2
159.11746	0.5
160.37184	0.6
161.05983	0.6
163.14816	3.4
165.16315	2.3
167.03348	3.0
167.14285	2.0
177.16360	3.7
177.34117	0.5
179.17923	1.1
181.04993	0.9
183.17429	1.7
187.14804	0.9
190.04979	0.9
191.17873	2.7
195.17435	1.4
201.05400	1.5
201.09119	0.6
201.16318	0.7
205.08594	2.0
205.19470	3.6
207.38107	0.5
208.08669	0.7
209.18976	3.0
219.08000	0.6
219.21155	0.6
221.08150	1.0
223.20525	0.5
229.08643	0.7
243.21127	1.1
247.09618	0.5
261.07568	1.8
261.14767	0.6
261.18512	0.9
261.21893	1.0
261.25754	11.2
279.04941	4.5
279.08859	1.6
279.09821	1.6
279.19589	0.8
279.23260	2.0
279.26758	20.8
299.88403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.29194	0.4
57.07070	13.8
58.75539	0.5
63.68594	0.4
65.03931	1.0
67.05495	1.2
69.03436	0.7
69.07058	0.6
69.40196	4.2
79.05488	0.7
80.24129	0.4
81.03426	0.4
81.07040	2.0
83.04965	0.5
83.08601	0.8
85.06586	0.5
87.04439	0.6
88.03058	0.4
91.05483	0.6
93.03381	0.7
93.07034	1.6
95.04979	0.5
95.08585	2.4
105.07029	0.8
107.08587	1.1
109.06491	0.4
109.10150	1.5
111.04446	0.4
111.08043	0.5
115.05437	1.2
121.02854	3.4
121.03793	0.4
121.10092	1.2
123.11694	0.5
125.09577	0.6
128.06198	2.1
129.06960	2.2
130.07806	0.5
131.04890	0.6
131.08542	1.6
132.05688	0.5
141.06970	1.7
142.07739	0.5
143.04834	0.5
143.08525	1.3
144.05687	0.6
145.06488	2.9
145.10083	0.9
149.02322	100.0
150.02664	0.8
157.06474	6.4
158.07262	8.2
159.04364	0.9
159.08044	4.1
162.06735	0.5
167.03401	2.9
170.07257	1.9
171.07986	1.9
172.05177	0.5
172.08795	7.4
173.06006	5.4
173.09558	1.0
174.06740	6.0
175.07516	1.8
177.36450	0.5
185.05894	0.8
186.06725	5.5
186.10367	2.0
187.07515	4.9
188.08301	16.1
188.09996	0.8
189.09099	8.8
190.04974	1.2
198.06837	0.8
201.09074	37.4
201.16447	0.5
202.09850	9.7
203.06952	0.8
203.10634	8.6
205.08600	1.9
214.06235	1.2
215.06966	0.9
217.08669	2.0
217.12296	0.5
219.06558	4.7
219.10080	0.9
229.08569	27.6
246.08746	0.7
247.09636	57.8
248.09973	1.6
261.08551	0.9
261.11200	15.9
261.14001	0.8
261.18594	0.6
262.11633	0.4
279.09381	1.3
279.12317	1.1
279.17862	1.0
279.23157	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73328	0.5
53.03926	1.7
55.01867	0.8
55.05504	8.9
57.03424	0.8
57.07067	18.5
59.05001	3.2
65.03937	0.8
67.05502	5.7
67.92995	0.4
69.03411	1.9
69.07059	34.4
69.28474	2.9
69.28910	2.1
70.15752	0.5
71.04964	1.6
71.08624	10.0
79.01845	3.8
79.05489	3.5
81.03407	11.1
81.07046	17.7
83.08611	13.1
83.09103	0.9
85.02887	0.6
85.06516	1.7
85.10159	1.0
88.07623	0.5
91.05445	1.1
93.07030	8.6
95.04932	1.4
95.08594	18.3
97.02843	1.0
97.06515	2.7
97.10148	3.8
98.21504	1.0
99.04443	0.5
99.08069	1.0
105.06997	2.4
107.01331	1.2
107.08579	8.8
109.02863	9.7
109.06488	0.8
109.10136	11.7
110.03649	2.3
111.08078	1.2
111.11694	5.4
113.09636	0.5
113.13270	1.1
115.05413	0.8
117.07047	0.5
119.08569	0.7
121.02863	1.8
121.10131	6.5
123.11686	9.4
125.02330	4.9
125.09611	1.0
125.13242	1.5
127.03898	7.0
131.04951	0.6
131.08553	0.7
133.06465	1.7
133.10085	1.0
135.11681	5.8
137.13216	3.9
139.11160	1.3
141.12720	1.2
143.03372	8.6
145.06474	0.9
145.10100	0.7
147.04424	0.6
147.11693	0.6
149.02321	51.8
149.09613	0.5
149.13234	5.4
151.14836	1.0
153.01808	100.0
153.02823	4.2
153.12735	1.2
154.02141	1.0
159.04442	1.0
159.11668	0.5
161.05968	1.6
163.14821	1.3
165.16324	0.8
167.03394	0.7
167.14258	0.8
169.39134	0.5
173.09624	0.5
173.13202	1.0
175.14711	0.5
176.66299	0.5
177.05469	0.6
177.16360	1.9
181.01335	1.1
181.04889	1.2
183.17397	0.6
185.21111	0.5
186.18594	0.7
187.03833	0.8
187.18878	0.9
189.05498	1.0
191.17993	2.2
205.04926	0.9
205.08563	1.0
205.19556	1.6
209.18951	1.0
215.14520	0.8
219.08064	0.6
219.21126	0.8
221.07990	2.3
233.04395	1.3
243.02925	0.5
251.10648	0.5
261.03909	1.1
261.18719	0.8
261.22205	0.5
261.22763	0.6
261.25748	5.8
278.23151	0.5
279.04980	51.2
279.08426	4.6
279.16034	0.9
279.23566	4.1
279.26724	24.6
280.05328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76483	9.3
54.62814	10.1
69.61491	77.1
69.61890	22.5
72.21205	9.8
81.25249	10.8
84.08144	23.8
98.97571	100.0
110.97554	19.0
116.98589	63.2
119.01915	25.3
128.98569	15.1
134.99667	24.0
146.99651	16.3
149.02325	58.3
158.99687	24.5
174.80978	9.8
177.00745	46.0
219.11366	10.4
259.76416	12.2
279.04697	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01860	1.5
55.05495	1.2
56.96285	0.9
56.96556	12.2
57.03416	2.4
57.07066	10.0
58.99862	0.7
59.04970	0.8
61.02909	3.4
65.03927	0.7
69.03423	6.5
70.47109	1.3
70.47501	1.5
71.04977	1.5
71.95267	1.0
73.02899	4.1
74.97606	0.6
81.03404	2.7
81.07035	0.7
83.04974	1.7
84.08118	0.9
84.96005	0.9
85.02898	10.3
87.04449	1.2
89.06001	1.0
96.61417	0.6
97.02875	5.0
98.21269	1.2
98.97568	100.0
99.04427	1.0
100.02450	2.1
101.00875	1.9
103.00619	0.8
106.18079	0.7
109.02857	0.8
110.97552	18.7
111.04450	2.0
112.99126	1.5
113.10671	0.6
115.02417	4.4
116.98604	73.8
117.05489	0.8
118.03490	1.0
119.01900	7.2
120.02029	1.0
121.01676	5.3
121.02822	2.4
127.03897	3.5
128.30592	0.7
128.98590	28.9
131.00134	1.2
131.01878	2.9
132.95844	0.9
133.01636	2.2
133.03448	4.8
134.05952	0.9
134.99635	34.3
137.02942	1.3
137.05934	1.2
139.02725	0.8
140.00195	1.3
143.00188	1.4
143.01869	1.8
145.01599	1.9
145.03415	2.1
145.04971	2.4
146.99629	22.7
147.03156	1.5
147.04984	1.3
149.02315	80.3
150.96909	1.3
152.07123	0.8
153.00670	5.4
153.01843	3.8
153.05775	1.0
155.01808	1.5
157.01616	0.9
157.03424	1.7
158.01186	1.1
158.99632	39.5
159.03261	1.6
160.06520	0.8
161.01202	1.1
161.02922	3.8
162.03142	1.2
163.02679	8.7
163.03929	0.6
164.07022	1.2
165.00702	3.0
167.02081	0.7
167.03456	1.7
167.05539	1.2
169.03406	1.3
170.05095	0.9
170.99651	14.9
171.01244	1.7
171.05058	1.5
173.02919	2.1
175.02753	1.7
175.55408	0.7
176.06071	1.8
177.00690	87.6
177.04185	2.1
178.00992	1.0
181.03789	0.8
183.04985	2.1
184.05859	0.8
185.02933	2.0
185.06578	2.5
187.02776	1.6
187.04526	2.3
189.00700	45.2
189.02248	1.8
189.04147	1.4
189.06233	1.2
191.02278	1.1
191.03857	0.7
192.05612	1.6
193.00087	1.0
193.03723	0.9
195.01746	10.0
197.06554	2.0
200.02274	4.0
200.98500	1.0
201.00734	2.0
201.02470	1.0
203.04018	1.4
203.07652	0.7
205.02013	0.9
205.03818	1.7
205.08594	1.9
206.05367	1.2
207.01741	30.8
212.02280	1.4
212.04102	1.0
215.00349	1.3
219.01738	13.3
219.05292	1.7
221.05113	2.3
225.02708	2.0
230.03265	1.5
233.01431	5.1
235.14430	1.0
237.02774	15.6
238.01939	0.8
245.05078	0.8
247.04753	1.8
247.06891	1.2
249.02809	2.5
251.02473	14.0
255.03787	4.8
256.02982	14.0
260.04474	1.0
260.86133	0.6
261.02890	2.0
261.08435	1.4
265.07675	3.7
268.05368	0.8
270.26950	0.7
274.04053	10.7
278.97116	1.0
279.01093	2.1
279.03912	16.0
279.07614	11.5
279.13004	1.6
283.83896	0.7
297.04996	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	278.1745
Annotation	Huperzine S
Peak:m/z	Relative Intensity
55.05503	4.1
57.03420	4.6
57.07073	4.0
58.88987	0.5
64.25503	0.4
67.05499	0.9
69.03410	1.4
69.07066	0.6
69.67541	3.8
79.05477	1.1
80.05014	1.2
81.07052	1.3
82.06561	1.1
87.04455	13.7
87.30122	0.5
91.05429	1.3
93.07038	1.0
94.06559	9.1
95.07380	0.6
95.08580	1.0
98.20789	0.5
99.92816	0.4
106.06520	1.7
107.07326	0.8
107.08537	0.7
119.08564	1.3
120.08084	3.3
120.08804	0.5
121.02866	1.3
121.08878	0.7
121.10101	0.9
122.09670	5.0
129.06981	1.2
131.07309	0.5
131.08549	0.8
132.08055	1.3
134.09627	5.4
135.10437	0.9
136.07576	2.4
136.11198	4.9
138.09125	0.6
144.08051	0.6
145.06439	0.8
146.09625	1.0
148.07515	3.3
148.11185	0.8
149.02322	34.0
149.08337	2.1
149.11993	0.5
150.09100	7.0
157.06474	1.9
158.07217	1.4
159.08064	0.8
160.11194	3.8
161.08336	1.7
162.09119	11.8
162.12755	1.2
166.08604	1.7
167.03467	1.2
168.09999	0.5
170.07236	0.8
171.08054	0.5
172.08812	2.0
173.05959	2.0
174.06775	1.4
174.09061	1.1
174.12755	1.5
175.07549	0.7
176.10597	0.7
176.14197	0.7
180.10178	5.0
184.11411	0.5
186.06760	1.5
186.12761	0.7
187.07481	1.2
188.08264	3.8
188.10693	7.5
189.09084	2.1
190.12236	15.6
191.12790	0.7
192.10170	1.9
192.13782	2.7
193.38379	0.5
194.11801	0.5
200.10725	1.1
201.09062	9.8
202.09851	2.6
202.12271	1.2
203.10680	2.1
203.12965	0.7
204.13786	3.2
205.08704	0.9
206.11734	23.4
207.12286	1.4
208.13318	5.8
214.15952	0.8
217.08646	0.8
218.11739	14.8
219.06493	1.2
220.13272	1.5
221.14082	0.7
222.14877	5.6
229.08549	8.0
232.16998	0.6
236.12799	8.9
242.15334	2.6
244.09146	0.6
247.07063	1.0
247.09627	17.2
260.16434	20.2
261.11148	5.2
261.16812	0.8
278.17477	100.0
279.18024	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	277.2159
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.26408	0.9
51.89840	1.0
53.03930	2.5
55.05508	14.7
57.07060	3.6
59.26142	0.9
65.03931	1.0
67.05496	31.2
69.03392	1.1
69.06715	1.3
69.07059	14.9
69.35508	5.1
69.35930	3.8
71.04977	1.3
73.06512	0.9
79.05485	69.0
81.03432	0.9
81.07050	32.4
83.04970	1.6
83.08623	7.6
85.06530	1.7
87.98122	0.8
91.05472	24.2
93.07034	100.0
95.04950	6.1
95.08597	25.8
95.09048	0.5
97.06518	2.2
97.10165	4.5
98.21468	1.5
99.08097	1.1
101.75905	0.9
105.04487	2.0
105.07012	12.3
107.08585	48.4
109.06483	1.7
109.10146	13.8
113.05978	1.1
117.06995	3.6
119.08568	10.2
121.10131	47.0
123.08038	1.5
123.11693	3.9
125.09618	1.6
129.07014	1.9
131.08533	4.3
133.10123	11.6
135.11671	52.0
136.12079	1.1
143.08551	1.6
143.74539	0.9
145.10121	2.9
147.11659	8.0
149.09561	1.7
149.13240	24.5
157.10110	1.7
159.11682	3.5
161.09558	0.9
161.13263	3.5
163.14803	6.2
165.41287	0.9
171.11670	3.4
173.13210	2.8
175.14793	2.9
177.12680	1.0
181.12318	1.6
185.13226	2.9
189.12820	1.1
195.13782	1.9
196.93509	0.9
199.14729	2.6
203.14247	1.7
207.13748	2.1
209.15321	1.1
213.16388	1.9
217.15790	1.1
221.15289	4.7
223.33096	0.9
231.17439	1.1
235.16965	4.8
241.19411	1.6
259.20447	4.3
277.21600	91.6
278.19153	0.9
278.21991	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03923	4.0
55.01853	1.1
55.05502	16.6
55.86666	1.0
56.32607	0.9
57.07048	3.3
65.03918	1.9
67.05496	27.1
69.07057	14.6
79.05482	60.3
80.61129	1.1
81.07042	34.2
82.86790	1.1
83.08620	5.3
85.06526	1.5
89.87300	1.2
91.05469	23.5
93.07028	94.3
95.04942	5.4
95.08590	22.6
97.06515	2.9
97.10135	3.4
104.17771	1.1
105.07009	13.7
107.08578	47.6
109.06488	1.7
109.10126	18.2
111.07980	1.1
117.06989	2.2
119.08566	8.9
121.10128	45.7
123.08076	1.4
123.11686	3.3
129.06934	1.7
131.08556	3.5
133.10103	12.7
133.27580	1.0
135.11665	59.3
137.09596	1.4
143.08537	1.8
145.10060	3.0
147.11688	6.4
149.09628	2.2
149.13231	21.8
159.11687	2.4
161.13252	4.1
163.11131	1.8
163.14803	6.3
167.10719	1.4
171.11646	2.9
173.13249	1.8
175.14784	2.1
177.12764	1.8
177.16415	1.1
181.12283	1.5
185.13182	1.9
193.12233	1.5
195.13789	1.7
199.14751	1.3
203.14439	1.3
207.13820	2.0
213.16406	2.2
221.15384	3.2
231.17392	2.0
235.16917	4.0
241.19582	2.1
259.20493	4.6
277.21582	100.0
278.21667	1.5
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	Stearidonic acid
Peak:m/z	Relative Intensity
53.03934	2.8
55.05265	1.3
55.05502	15.7
57.03418	0.9
57.07078	5.3
57.07303	0.9
59.04979	1.1
61.05524	0.9
65.03911	1.3
67.05495	35.3
67.10762	1.3
69.06715	1.2
69.07059	13.4
71.04971	1.6
71.08627	1.1
79.05482	66.8
80.83012	0.9
81.06566	2.1
81.07046	37.1
83.04952	1.9
83.08610	8.1
85.06541	2.1
91.05466	24.8
93.07030	94.3
95.04933	6.7
95.08594	25.5
97.06511	1.4
97.10171	4.8
101.05970	1.2
105.07010	13.0
107.07851	2.4
107.08579	50.0
109.06490	2.9
109.10143	21.9
111.08083	1.0
111.11668	0.9
117.07000	1.3
119.08559	12.0
121.10124	42.3
123.08011	1.3
123.11670	4.4
123.92661	0.9
125.09638	1.0
129.06976	2.6
131.08548	4.2
133.10107	14.6
135.08040	2.6
135.11671	63.1
136.12021	1.3
143.08539	2.9
145.10095	4.0
147.11679	8.5
149.02344	1.8
149.09587	2.9
149.13239	24.3
151.11096	1.1
157.10078	1.7
159.11687	3.9
161.09631	1.5
161.13226	4.5
163.11140	2.1
163.14824	6.0
167.10657	1.1
171.11647	2.7
173.13277	3.2
175.11177	1.4
175.14821	2.7
177.12662	1.0
179.10628	1.1
181.12204	1.7
185.13234	3.3
187.14726	1.1
189.12685	2.5
193.12312	1.3
195.13802	2.6
203.14247	1.6
207.13815	2.5
213.16312	2.4
221.15344	3.0
231.17400	2.1
235.16913	7.3
241.19511	2.2
259.02344	1.2
259.20554	6.1
277.03345	3.2
277.18332	4.9
277.21591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1066
Annotation	Lactucin
Peak:m/z	Relative Intensity
51.41764	1.8
55.01851	5.4
55.05492	7.1
57.03426	10.0
57.07045	3.5
67.05484	8.7
68.58607	2.1
68.66558	2.0
69.03417	20.6
69.07050	8.9
69.95654	12.5
71.01327	2.4
71.04989	3.9
71.21417	1.9
73.02876	2.7
79.05470	6.2
81.03418	2.3
81.07034	13.8
83.04964	8.8
83.08596	2.7
85.02891	16.5
87.04461	10.5
91.05462	7.3
93.07029	4.6
95.04939	4.0
95.08605	17.8
99.04414	9.8
99.10826	1.9
103.05445	18.9
105.07006	5.8
107.04926	6.9
107.08575	4.6
109.02878	3.3
109.10155	10.2
111.04414	15.7
111.11713	3.0
115.05441	24.2
117.06995	28.1
119.04875	4.3
119.08595	3.1
121.06512	2.8
121.10141	3.7
123.11663	4.0
124.07552	2.5
125.05971	2.7
128.06203	24.1
129.06981	28.2
131.04922	34.8
131.08571	5.9
133.06493	3.4
133.10104	2.4
135.04416	2.4
135.08037	5.0
136.05223	2.3
137.05954	40.1
137.13249	7.1
139.05405	6.4
139.11176	2.4
141.06975	3.9
143.04909	16.8
143.08543	19.9
144.05681	10.1
145.06465	63.2
145.10115	2.6
146.03610	12.2
147.04431	10.9
147.07971	5.0
148.05150	3.0
149.05965	16.3
151.03894	7.1
151.07521	37.9
152.07033	7.0
153.06961	14.8
154.08659	3.3
155.04930	10.2
155.06013	4.3
157.06491	37.2
158.07277	2.9
159.04379	11.0
159.08032	4.9
160.05176	28.3
161.05962	46.8
162.06702	4.9
163.03886	2.6
163.07520	48.6
165.05521	2.9
165.09177	3.1
167.04918	13.4
167.07045	7.9
169.06500	4.2
170.07291	6.3
171.04367	2.5
171.08029	30.4
172.05231	5.1
173.05957	22.3
174.06734	25.6
175.07523	100.0
176.04678	4.1
176.08203	4.2
177.05450	36.3
177.09094	14.4
179.07059	7.7
181.06470	17.8
183.04361	11.4
184.05145	4.3
185.05984	17.5
185.09578	4.7
186.06657	2.3
187.07512	38.2
188.04642	4.1
188.08269	8.1
189.05397	9.9
189.09100	39.7
190.06229	12.5
191.07014	36.8
192.07616	2.1
195.06465	5.6
197.05858	3.4
198.06734	9.5
199.07510	41.8
200.04669	9.6
201.05426	16.4
201.09044	7.9
203.07028	54.5
203.10620	28.0
204.07689	7.8
205.08580	33.3
206.07207	3.3
207.10101	2.5
209.05907	4.4
213.09081	25.3
215.07002	43.2
216.07745	8.8
217.05026	5.9
217.08557	45.4
218.05730	5.2
219.06471	8.5
227.06961	6.3
229.08623	7.3
231.10136	59.8
232.10597	2.5
233.08049	78.6
234.06589	4.9
235.09592	12.0
241.08527	18.8
249.09023	2.7
249.11299	4.0
259.09607	37.4
277.08405	7.4
277.10803	53.5
277.17789	3.0
277.25275	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	277.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	6.3
69.03407	3.1
69.41740	12.6
69.42161	3.2
73.02893	2.0
85.02888	6.6
86.78859	1.5
95.10573	1.4
97.02879	5.3
98.07793	1.4
98.20777	3.5
98.97578	10.0
101.00873	18.7
115.02415	1.9
116.98581	4.7
119.01911	42.9
128.81633	1.6
128.98602	2.2
131.01875	17.7
133.03438	5.2
134.51405	1.5
134.99596	1.9
137.02956	7.5
143.01866	21.2
143.08261	1.5
145.03445	9.4
147.05101	2.4
155.01883	10.8
157.03426	11.8
161.02939	69.0
163.04437	2.3
173.02921	21.6
175.04460	7.8
179.04068	2.3
185.02924	18.6
185.06499	1.6
187.04514	7.0
189.06090	3.7
191.03996	7.0
197.02994	3.9
199.04547	2.2
203.04019	7.0
205.05589	3.9
215.04071	1.8
219.01750	2.4
221.05145	2.7
237.02890	2.5
245.05170	15.6
259.06723	1.8
263.06128	4.1
277.03433	11.7
277.07663	100.0
295.06686	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	277.1065
Annotation	Lactucin
Peak:m/z	Relative Intensity
55.01857	5.2
55.05495	8.0
57.03421	10.2
67.05506	6.9
69.03421	21.3
69.07056	10.6
69.95502	4.6
69.95918	7.9
71.01354	4.9
71.04978	5.0
79.05499	4.9
81.03384	4.6
81.07056	14.2
83.04984	6.6
83.08598	3.7
85.02893	13.6
87.04451	10.2
91.05463	8.8
93.07030	5.5
95.04935	4.5
95.08594	15.7
98.20821	4.6
99.04421	8.9
103.05467	15.1
105.07018	4.2
107.04955	5.7
107.08584	5.0
109.06506	3.2
109.10150	7.2
111.04421	13.0
115.03898	3.7
115.05429	26.2
117.07004	30.8
121.06490	2.5
121.10156	5.7
123.11674	4.7
124.07494	2.7
125.69693	2.2
126.09098	3.7
128.06201	25.8
129.06998	33.4
131.04912	34.9
131.08539	4.4
133.06442	3.4
135.08022	4.2
137.05957	34.3
137.13225	4.7
139.05399	7.2
139.11159	3.1
141.06990	6.3
142.07774	3.0
143.04886	17.9
143.08517	16.5
144.05702	10.5
145.06458	59.1
146.03632	8.9
147.04391	9.3
147.08099	4.5
148.05223	2.8
149.05939	19.0
149.13245	3.3
151.03883	8.9
151.07512	41.4
152.07036	15.5
153.06979	15.6
154.08603	7.8
155.04901	6.8
156.05557	3.1
157.06485	32.1
158.06975	3.0
159.04364	14.3
159.07973	3.9
160.05182	24.3
161.05957	51.9
161.09573	3.3
162.06735	4.9
163.07507	45.5
165.05438	2.8
167.04933	16.4
167.07021	8.2
169.06511	4.0
170.07202	3.0
171.04402	5.2
171.08026	30.8
172.05174	7.3
173.05969	21.3
174.06731	20.5
175.07521	95.0
176.04688	5.9
176.07980	2.7
177.05443	37.3
177.09099	12.6
178.06163	3.1
179.07010	8.1
181.06451	16.0
183.04355	15.7
184.05217	4.7
185.05946	18.0
185.09682	3.6
186.06581	3.7
187.03828	2.8
187.07516	33.8
188.04613	4.3
188.08325	11.1
189.05479	8.9
189.09085	46.9
190.06242	8.8
191.06985	38.8
195.06470	6.5
198.06697	10.9
199.07504	51.2
200.04688	6.6
201.05446	18.3
201.09036	5.4
202.06215	4.1
203.06992	55.3
203.10611	30.7
204.07712	7.8
204.10983	2.8
205.08574	34.2
209.05969	5.5
213.09068	31.4
215.07010	45.8
216.07779	7.5
217.05157	5.1
217.08548	50.0
218.05783	3.3
219.06476	10.2
221.07884	2.9
226.06122	4.3
227.07004	9.0
229.08571	7.2
231.10124	65.5
233.08040	100.0
233.10374	5.1
234.06512	3.9
234.08562	4.2
235.09665	16.9
241.08549	26.1
249.08984	4.2
249.11278	5.7
259.09628	47.5
260.09894	3.2
262.06119	3.1
277.03711	4.5
277.10812	73.3
277.13690	4.2
277.21893	3.0
277.25171	10.1
299.09021	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03930	0.9
53.79551	0.5
55.01864	2.5
55.05504	13.1
57.03405	0.9
57.07068	2.5
65.03923	1.1
67.05495	15.8
69.03381	0.5
69.07056	11.1
70.59324	1.4
71.04993	2.0
71.08593	0.8
79.05481	17.0
81.03430	1.0
81.07045	25.6
83.04976	2.0
83.08607	5.8
85.06526	2.1
91.05466	27.8
92.05779	0.6
93.07027	20.5
94.07352	0.6
95.04945	3.4
95.08590	19.5
96.08898	0.8
97.06508	4.2
97.10149	3.0
99.08085	0.7
103.05442	1.0
105.07015	43.3
106.07303	0.8
107.04939	3.5
107.07849	0.9
107.08578	17.4
109.06493	4.9
109.09441	0.8
109.10138	10.8
111.08045	1.9
111.11725	0.7
113.09630	0.6
115.05448	1.2
117.07008	7.3
119.08565	29.5
121.06499	3.6
121.10124	11.1
123.08053	2.0
123.11671	5.2
125.06028	0.4
125.09605	2.1
127.11179	0.4
129.06967	2.2
130.07779	0.5
131.08542	10.7
133.06477	1.3
133.10112	28.1
134.10387	0.7
135.08035	4.2
135.11664	6.0
137.05930	0.6
137.09627	2.6
137.13249	1.8
139.03845	0.4
141.06979	0.8
142.07770	0.6
143.08537	2.1
145.06447	0.8
145.10100	13.2
146.10802	0.6
147.04372	0.7
147.08000	1.1
147.11671	16.2
148.11992	0.5
149.09578	6.1
149.12361	0.5
149.13254	5.1
151.07492	0.6
151.11186	2.0
154.07634	0.5
155.08493	1.6
156.09271	0.4
157.10103	3.0
159.07994	1.0
159.11668	8.1
161.09557	1.6
161.12114	0.6
161.13249	5.6
163.11163	4.7
163.14806	1.9
165.09076	0.6
165.12750	1.1
165.16414	0.5
169.10120	1.9
171.11702	3.2
173.09625	1.1
173.13239	4.9
175.11182	1.5
175.14774	1.3
177.12729	1.3
177.16379	1.0
179.10701	0.6
179.14365	0.5
183.11685	2.2
185.13257	0.9
187.11125	1.5
187.14777	1.0
189.12738	1.2
191.10637	0.7
191.14244	1.1
197.13264	2.6
199.14819	0.7
201.12657	1.7
201.16347	0.7
205.12233	1.4
205.19473	0.8
211.14836	0.8
213.16302	0.7
215.06999	0.5
215.14310	1.1
215.17876	1.7
217.15854	1.0
219.13722	0.7
219.17416	0.6
219.21140	0.8
229.15886	0.9
229.19511	2.6
231.06511	0.5
233.15263	0.7
239.17924	5.7
247.20561	3.1
257.15240	0.7
257.15939	0.8
257.19000	11.0
257.22101	0.9
275.09146	1.2
275.20020	100.0
275.27191	5.6
276.20404	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03932	1.5
55.01624	0.4
55.01867	4.5
55.05504	15.1
56.63165	0.3
57.03414	1.2
57.07058	1.0
59.04976	0.5
65.03937	0.9
67.05495	21.3
69.03412	1.0
69.07063	7.7
71.04979	2.8
71.62195	0.6
72.22883	0.3
73.06543	0.4
79.05482	28.5
81.03401	1.1
81.07045	18.3
83.04978	2.4
83.08611	4.5
83.14000	0.3
85.06516	1.4
88.07606	0.4
91.05468	28.4
92.05757	0.5
93.07032	18.8
94.07381	0.4
95.01308	0.4
95.04952	2.9
95.08597	10.7
95.09216	0.5
97.06518	4.0
97.10152	3.1
97.80754	0.4
100.56124	0.4
103.05427	0.8
105.07018	40.5
107.04183	0.4
107.04941	17.9
107.08577	21.7
108.08907	0.7
109.06516	2.1
109.10139	10.9
111.08068	1.2
115.05449	0.5
117.07006	8.9
118.07723	0.4
119.08566	25.3
121.06474	2.3
121.10123	9.0
123.08041	2.1
123.11714	3.1
125.09628	3.8
128.06245	0.6
129.06985	1.5
131.08553	11.9
133.06476	0.9
133.10114	25.0
134.10359	0.4
135.08035	4.0
135.11696	3.2
137.09618	1.3
141.06984	1.3
143.08517	2.0
145.06470	0.4
145.10092	10.1
147.08090	0.9
147.11667	14.3
148.11990	0.4
149.09599	35.1
149.13261	1.4
150.09911	0.6
151.11191	0.7
153.09085	1.2
153.12688	0.4
155.08575	0.5
155.10577	0.4
157.10135	1.8
159.07983	0.4
159.11671	7.3
161.09596	1.1
161.13225	4.5
163.11168	1.9
165.09123	0.9
165.12738	0.4
167.10652	0.7
169.10089	1.5
169.12210	1.7
171.10307	0.5
171.11676	2.1
173.09654	0.4
173.11711	3.2
173.13252	4.2
175.11153	0.9
175.14772	0.9
177.12675	1.2
179.10651	0.9
183.11661	1.4
185.13185	0.8
187.11134	1.3
187.13222	1.4
187.14836	1.3
193.12134	0.6
195.13770	0.6
197.13232	1.4
199.14622	0.4
205.12242	0.8
213.16350	0.5
215.14220	1.1
215.17885	2.0
229.19481	5.5
233.15286	1.0
239.17935	3.0
247.16844	0.5
247.20580	1.6
257.18961	14.2
258.19196	0.4
275.20023	100.0
275.27701	4.0
276.20343	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03959	1.0
55.01871	1.7
55.05508	10.7
57.03419	1.8
57.07056	2.6
60.40399	0.7
64.33530	0.8
65.03923	1.0
67.05164	1.3
67.05495	15.1
69.03420	0.8
69.07056	10.0
70.06567	3.0
70.75803	0.7
71.04980	4.7
71.08604	0.8
77.76793	0.7
79.05483	12.4
81.07043	18.8
83.04971	2.6
83.08603	5.2
83.54208	0.8
84.50378	0.7
85.06533	2.9
88.07614	4.1
88.25813	0.8
88.87870	0.7
89.07932	0.9
91.05470	27.5
93.07030	15.8
95.04945	2.5
95.08591	13.8
97.06512	2.9
97.10130	2.5
98.21499	1.7
102.09165	1.6
103.05479	1.0
105.07018	44.9
106.07356	0.8
106.08636	2.7
107.04939	2.5
107.08564	14.8
109.06496	5.9
109.10143	6.4
111.08064	3.3
117.06998	7.9
118.07755	1.0
119.08562	28.5
121.06474	2.1
121.10120	9.4
123.08038	3.3
123.11671	2.3
125.09653	1.2
129.06992	2.3
131.08553	13.9
133.06505	1.1
133.10114	33.9
135.08047	7.3
135.11646	4.7
137.09624	2.3
139.11140	0.9
141.06943	1.5
143.08554	4.3
144.09309	1.2
145.10110	16.5
147.08002	1.0
147.11665	21.7
149.09593	6.1
149.13280	1.6
151.11205	1.1
155.08504	1.6
156.09265	0.8
157.10115	6.1
158.10852	1.9
159.07991	1.1
159.11656	14.1
161.09624	1.6
161.13225	4.1
163.11159	4.6
165.12708	0.9
169.10109	1.8
171.11673	5.3
173.13234	13.1
175.11180	2.5
175.14801	2.2
177.12686	3.5
183.11714	3.9
184.12375	0.9
185.13251	1.5
187.11102	1.2
187.14787	1.7
191.14273	2.2
197.13249	2.7
199.14795	3.3
201.12781	2.1
205.12108	0.8
209.13043	0.8
211.14807	1.2
213.16368	1.4
215.14473	0.9
215.17917	1.5
219.13834	1.3
229.15961	1.1
229.19426	2.6
233.19077	0.9
239.17943	6.4
247.20522	1.9
257.18976	12.8
257.26611	2.3
260.06491	0.9
275.20026	100.0
275.27713	44.5
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	275.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
56.96558	7.5
57.03423	2.2
58.99847	3.3
61.02906	2.4
66.89144	0.5
67.05489	0.7
69.03423	5.1
70.06588	0.9
70.35553	1.1
70.98101	1.3
71.04988	0.9
72.93778	0.5
73.02897	2.9
77.00891	1.9
79.01825	1.6
81.03403	2.2
82.06574	0.6
82.99868	1.9
83.04964	1.4
84.04516	0.6
85.01394	0.9
85.02894	9.0
86.03223	1.0
86.09721	0.7
87.04452	0.8
88.99140	1.1
91.05451	1.0
93.07038	0.6
94.05988	0.6
95.01331	0.7
95.01899	0.7
95.04922	0.8
97.01388	0.7
97.02875	6.7
98.97573	9.7
99.04427	0.7
101.00191	0.8
101.00864	15.7
103.02431	4.1
107.04913	3.1
109.02859	1.8
110.97578	0.8
111.02890	0.6
113.00858	1.5
113.03446	1.3
113.07109	2.0
115.02423	1.9
116.98600	7.6
117.03987	5.5
119.01907	100.0
120.02015	2.3
121.01658	1.0
121.02692	0.6
121.03487	2.9
122.06025	3.6
125.02377	1.2
125.07187	0.7
127.02359	3.0
127.03869	3.2
128.98587	2.5
131.01877	6.8
131.05542	0.7
133.01688	0.7
133.03447	4.2
134.99614	3.5
135.05038	6.5
135.07973	0.5
137.02942	42.0
137.05978	2.2
138.03056	0.7
139.02432	1.0
139.03896	1.1
141.03894	1.3
142.01155	0.7
142.03465	3.2
143.00169	0.8
143.01881	6.9
143.03438	1.3
144.99788	1.4
145.03445	36.7
145.07101	0.8
146.03618	0.8
146.99590	1.6
147.01366	2.7
147.04994	1.9
149.02954	2.0
151.04555	0.8
153.00572	1.5
153.01810	20.3
154.02156	1.4
155.01883	5.4
157.03452	3.9
159.05014	33.8
160.02199	0.7
160.04532	1.0
161.02939	15.2
163.00839	1.5
163.02843	1.1
163.04504	15.5
163.05814	1.1
163.08121	1.0
165.00659	2.1
167.01814	0.8
168.05136	1.5
169.03419	7.2
171.01347	3.5
171.05034	1.6
172.97563	1.2
173.02972	7.0
173.06593	1.9
174.99089	0.8
175.03198	0.6
175.04500	4.7
175.08154	2.1
177.00836	0.9
177.02382	1.6
177.04503	1.4
177.06064	16.7
179.03986	1.9
182.06624	2.4
184.04572	0.8
185.01318	1.2
185.02916	10.4
185.06647	1.4
187.00984	0.9
187.04492	22.8
189.00746	1.2
189.02434	16.4
189.04042	0.6
189.06042	1.1
190.98627	4.6
191.00337	1.8
191.04056	1.0
191.07568	0.8
193.00230	1.4
194.00732	0.7
195.01413	0.8
195.05141	0.6
197.02946	1.1
200.04335	0.6
201.02505	1.4
203.03989	17.0
203.07645	1.5
204.04298	1.1
205.00272	0.9
205.02011	1.9
205.03740	1.3
205.05550	9.2
206.05632	0.6
207.03482	9.6
208.04698	1.3
208.99641	1.0
210.06108	1.2
211.00958	1.5
211.02757	0.8
212.04149	1.2
213.02412	8.0
214.00215	0.7
214.52534	0.7
215.00467	1.4
215.03970	2.8
215.07655	1.3
217.05510	1.2
219.01907	2.0
221.04994	6.2
227.04033	0.9
229.01941	4.5
229.05487	3.4
229.09232	1.3
231.03458	16.1
231.07018	0.9
232.96289	0.6
232.99562	2.2
233.01563	4.2
233.04993	1.5
237.06177	0.8
243.03557	0.8
245.05089	2.0
245.08714	0.9
247.03058	3.9
247.06728	3.6
249.04517	2.4
251.02602	5.2
252.03412	3.9
256.96524	0.7
257.01239	0.9
257.05035	1.6
257.08728	1.8
258.11230	1.5
261.02979	1.8
267.07162	2.2
270.04523	2.8
274.97592	7.7
275.02426	12.5
275.06024	9.8
275.09833	6.5
275.13785	4.8
292.98438	4.4
293.03528	12.3
293.07068	2.0
293.10550	0.9
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
55.60080	0.6
56.96560	1.5
57.03423	0.8
58.99857	2.2
67.05492	1.5
69.03419	1.5
70.50894	2.3
76.05262	0.5
81.83649	0.6
82.99881	1.9
83.04963	1.5
85.02895	1.0
93.03426	0.7
95.04955	1.5
97.02873	0.8
97.98100	0.6
98.97573	1.8
101.00861	18.6
102.02159	0.6
103.02431	2.3
109.01364	1.1
111.04418	0.8
115.02406	0.9
116.98592	1.1
117.03992	4.5
119.01905	100.0
120.01990	2.3
121.02849	2.4
121.03577	0.9
125.04491	0.6
127.00766	0.5
127.02385	5.5
129.03999	1.0
131.01892	2.6
132.81857	0.6
133.03458	1.2
135.05048	3.3
137.02934	36.9
139.03824	0.7
141.03932	1.5
141.55992	0.6
142.03474	2.6
143.01918	6.8
143.05476	1.0
144.52786	0.7
144.99753	1.1
145.03447	46.3
146.03426	0.8
147.01392	2.8
147.04990	0.6
151.02400	0.9
153.00606	0.7
153.03915	1.4
155.01872	0.7
157.03490	6.1
158.03511	0.9
159.05016	28.8
161.02956	16.4
163.01003	0.7
163.04492	10.8
165.02406	1.2
167.01913	0.9
168.05035	1.4
168.99785	1.3
169.03438	29.5
171.01411	3.3
171.04999	5.3
172.99489	0.9
173.02969	3.6
175.04489	4.7
177.06065	13.4
179.04056	1.5
182.06573	1.5
185.02939	19.2
185.06551	1.1
187.00916	2.4
187.04491	62.8
188.04506	0.7
189.00739	0.9
189.02428	16.3
189.06087	2.0
191.00391	1.2
191.03999	2.0
195.01648	1.1
195.04979	2.9
197.02910	7.8
201.02472	0.8
203.00645	1.0
203.02353	1.1
203.03981	17.5
205.01935	1.5
205.05545	13.8
207.03496	9.8
210.06119	2.7
211.04491	2.8
212.01041	0.7
212.04001	1.3
213.02438	9.1
213.06041	2.0
215.00453	5.3
215.03957	10.0
219.00298	0.7
219.03410	0.8
221.02950	2.1
221.05049	1.8
222.03140	0.8
228.98106	2.1
229.02115	1.2
229.05542	24.7
231.01137	0.9
231.03465	17.3
233.01453	5.2
233.05048	1.2
239.04010	1.3
239.97922	1.0
240.01180	1.3
244.18678	0.7
245.05042	0.9
247.06602	15.7
249.04459	3.2
251.02660	0.8
251.56204	3.4
251.99451	1.6
252.06046	2.4
254.04930	0.9
257.05042	2.9
260.99115	1.0
275.02527	11.8
275.06064	85.4
276.06070	1.4
293.03476	7.6
293.07114	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	273.2572
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03937	1.8
55.05259	1.0
55.05504	11.4
57.07072	8.4
62.06894	0.6
65.03928	0.8
67.05169	1.5
67.05498	20.3
69.07056	30.2
70.57347	2.2
71.08614	3.3
71.11172	0.7
79.05053	1.2
79.05482	16.3
81.07044	48.8
83.08601	11.4
83.30357	0.8
83.81920	0.7
85.06538	0.9
85.10173	1.6
85.70146	0.8
91.05466	14.3
93.07031	31.9
95.04933	1.9
95.08594	54.4
97.10162	6.9
98.97569	3.9
105.07014	22.0
106.48853	0.8
107.08580	33.0
109.10140	33.3
111.11701	1.5
116.98630	1.5
117.06982	1.3
119.04916	0.9
119.08567	18.0
121.10126	28.9
123.11689	15.0
125.13245	1.0
131.08563	1.8
133.09119	1.0
133.10110	17.8
135.10661	1.6
135.11674	25.2
137.13245	7.0
143.08553	0.9
145.10103	2.6
147.04398	3.1
147.11667	19.7
149.12157	1.6
149.13237	16.8
151.14801	2.2
152.06033	0.8
153.01839	6.1
157.10094	1.1
158.99670	1.8
159.11693	1.8
161.09605	1.2
161.13246	14.1
163.14803	16.9
165.16389	2.6
171.11665	1.4
173.13237	0.8
175.14793	7.7
177.00609	0.9
177.16339	9.7
178.36113	0.8
179.17894	1.1
181.06476	1.6
185.13292	0.9
189.16383	9.2
191.17914	4.7
203.17938	8.9
217.19479	12.5
231.20988	2.5
241.07780	0.8
245.22656	1.5
273.07504	5.2
273.10449	3.0
273.15009	1.9
273.18881	2.0
273.25732	100.0
274.25952	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2571
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03939	1.2
55.05503	12.4
57.07062	5.8
58.36986	1.1
67.05495	17.2
69.06710	2.0
69.07060	25.5
70.68706	3.7
71.08618	1.4
78.98256	1.1
79.05476	9.7
81.06567	2.7
81.07046	52.2
81.39822	1.2
83.08614	11.1
87.84828	1.3
91.05476	8.4
93.07033	28.0
95.04948	1.4
95.08594	53.6
97.10166	8.7
105.07008	14.5
107.08574	38.9
109.06505	1.9
109.10143	45.5
111.11711	2.4
119.08584	17.0
121.10128	34.9
123.11694	37.8
125.13258	2.6
133.10120	10.7
135.11673	27.2
137.13254	12.3
145.10112	1.9
147.11673	11.8
149.13246	42.0
151.14815	6.4
161.13240	19.1
163.14810	24.2
165.16446	2.3
175.14825	10.0
177.16348	12.2
189.16354	15.3
191.17964	11.1
203.17923	14.1
217.19496	27.5
231.21024	2.2
273.12244	1.3
273.25726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2207
Annotation	3-Oxo-delta4-steroid
Peak:m/z	Relative Intensity
53.03952	1.0
55.05500	6.9
57.07051	3.0
65.03917	0.9
67.05494	9.3
67.92995	0.9
69.03411	2.1
69.07057	12.1
69.38051	9.2
71.04964	1.7
78.33109	0.9
79.05470	6.0
81.07047	17.7
83.04984	1.4
83.08604	6.1
85.06520	3.0
85.29095	0.9
91.05466	7.6
93.07041	17.7
95.04944	2.6
95.08596	30.0
97.06522	14.6
97.10164	2.2
99.08078	7.8
105.07021	14.2
107.04910	0.9
107.08585	21.7
109.06495	2.9
109.10142	18.4
111.08067	37.5
113.09608	1.7
116.46320	1.1
117.06995	4.3
117.76152	0.8
119.08566	28.1
121.06492	3.0
121.10126	15.7
121.35777	1.0
123.08066	6.0
123.11700	7.2
125.09646	5.9
128.06206	1.8
129.06961	3.5
131.08549	9.3
133.06476	1.5
133.10126	16.1
134.36337	1.2
135.08049	3.1
135.11664	11.9
137.09584	4.4
137.13234	3.6
142.07756	2.3
143.08513	5.5
145.10101	17.8
147.08075	2.5
147.11658	11.1
149.09595	10.3
149.13214	14.4
151.11211	8.0
151.12265	1.4
151.14749	1.2
153.12688	1.6
156.09341	3.2
157.10117	8.4
159.11676	15.5
161.09590	3.0
161.13239	8.2
163.11143	6.1
163.14798	4.2
165.12727	2.0
170.10899	1.8
171.11642	13.8
173.13260	7.8
175.11166	2.1
175.14783	16.8
176.15479	1.1
177.12695	4.9
177.16373	7.5
179.14351	1.5
185.13248	19.4
186.13898	1.2
187.14803	10.2
189.12721	3.5
189.16302	4.4
191.14395	2.6
191.18002	1.5
199.11159	1.2
199.14764	10.0
201.16338	10.8
203.14304	10.2
203.17912	1.8
213.16383	5.7
215.17931	3.0
217.15813	8.1
217.19423	0.9
227.17896	2.3
229.19455	2.6
231.17342	8.8
231.21011	1.4
243.17453	1.2
245.18990	1.5
245.22566	2.6
255.21040	29.5
273.18552	18.0
273.22092	100.0
274.22540	3.8
274.27438	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	272.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	0.6
53.03916	0.8
55.01832	1.9
55.05468	1.5
56.96556	32.4
57.03426	4.2
58.99837	0.5
59.04966	0.6
61.02920	4.5
65.03934	2.2
67.05467	0.8
68.00321	0.4
69.03423	9.8
69.07045	0.7
69.46825	0.4
70.06586	2.3
71.01321	0.6
71.04932	1.4
71.61168	0.6
71.95238	0.9
72.08091	0.5
73.02905	4.7
74.97569	1.7
79.01844	5.5
79.05450	1.1
80.05003	0.4
81.03400	3.7
81.04505	0.6
81.07046	4.3
82.05298	0.4
83.01292	0.5
83.04936	1.3
83.06109	4.1
84.04484	0.8
84.08123	0.6
84.96023	13.0
85.02893	19.8
85.73086	0.4
86.06009	0.5
86.09703	0.4
87.04430	1.8
91.03928	1.4
91.05433	1.2
92.04992	24.0
93.04484	1.5
93.05790	2.0
94.06551	4.4
95.04932	1.1
95.06071	5.3
97.02265	0.7
97.02872	11.1
98.03159	0.5
98.97566	14.2
99.04420	1.3
100.99100	1.6
101.00856	2.9
101.02370	0.5
102.00914	0.5
102.97050	3.4
103.00605	0.6
103.02389	0.6
104.60384	0.4
105.07001	0.9
107.01277	1.3
107.04924	1.2
109.02862	2.4
110.06002	100.0
110.07129	37.7
110.97520	0.6
111.04411	1.3
111.05562	0.8
111.06329	0.5
112.08689	1.4
113.00801	1.0
115.00666	2.8
115.02379	0.7
115.03897	1.0
116.97808	0.8
116.98603	14.1
117.02106	0.6
119.00133	1.0
119.01903	10.4
119.03531	0.5
119.04909	0.8
120.01987	0.9
120.98082	1.6
121.01656	3.3
121.06362	0.5
121.10089	0.5
122.05928	0.5
123.04379	0.6
124.03924	1.9
124.99097	4.5
125.02364	2.7
126.06623	3.2
126.96977	0.6
127.03911	5.5
128.02428	0.5
128.98531	1.4
129.03967	0.6
131.00107	1.1
131.01880	4.5
131.05528	1.4
132.01909	0.5
133.01741	3.0
133.03485	2.0
134.05995	0.5
134.99637	12.8
135.03174	1.1
135.06601	0.4
137.02924	2.3
137.05930	3.3
138.06288	0.6
139.02672	0.7
139.03908	0.5
140.07069	0.6
140.98570	0.8
141.05434	0.7
142.03513	0.6
143.00150	17.0
143.01826	5.3
143.03375	4.9
143.04393	0.8
144.98053	2.4
145.03487	4.1
145.04932	3.1
146.99628	1.5
147.01346	1.0
147.03227	0.8
147.04280	0.7
149.01172	0.9
149.02890	1.1
149.04858	0.5
149.06555	1.7
151.02701	0.6
152.07034	2.5
153.01807	73.5
153.02827	2.8
153.05762	2.1
153.55856	0.7
154.02132	5.1
155.01778	2.1
156.07657	5.3
157.03435	3.2
158.01253	0.8
158.99638	3.4
159.04959	1.2
160.06505	1.1
161.01205	38.7
161.02910	8.0
161.06642	2.1
162.01617	0.6
162.03096	0.7
162.06384	1.4
162.99127	6.2
163.02728	0.8
163.04382	1.0
163.12286	3.0
167.02043	0.5
167.07004	0.7
168.98062	1.4
169.03474	3.6
170.03455	0.7
170.99638	0.8
171.01329	0.5
171.05025	1.1
173.01360	0.9
173.02888	5.1
173.06483	0.4
174.03096	0.6
174.04466	1.0
175.02930	0.7
175.04395	1.3
175.05368	0.8
177.00726	6.6
177.04152	0.9
179.02242	7.6
179.07588	1.1
180.07750	0.5
181.00169	1.9
181.03450	0.9
182.03375	1.1
182.06116	1.1
182.07716	0.6
183.04988	1.9
183.06422	0.5
184.02876	2.3
184.04388	0.7
185.01393	0.7
185.02834	2.3
185.06598	1.9
186.99081	3.7
187.04489	4.0
188.04703	0.8
189.00763	1.0
189.02464	1.0
189.04181	0.6
189.06015	0.8
190.04861	0.5
190.13495	1.0
191.02213	1.1
191.03891	3.1
191.05470	0.8
192.05568	0.7
195.01755	1.8
195.05023	0.8
196.04700	0.5
197.02943	1.3
199.04578	0.4
200.04453	1.5
201.00775	0.7
203.02348	0.7
203.04024	2.7
203.07681	1.0
205.00198	7.5
205.03697	0.5
205.05510	1.3
207.05185	0.7
208.14432	4.3
210.06078	0.6
210.16116	0.5
211.04492	0.9
213.06085	1.2
217.00172	0.7
219.01849	1.5
221.03236	0.7
221.05066	3.1
222.05293	0.4
223.01230	14.0
223.04701	1.2
223.06544	1.2
226.01476	0.6
226.15451	7.5
227.04091	0.6
227.13936	0.5
228.16919	0.5
229.05299	0.6
230.03278	4.2
230.05359	0.6
230.08769	0.8
230.98160	0.8
231.03450	1.0
231.07129	2.4
233.05083	0.7
237.02818	1.0
239.04361	1.0
241.02147	0.9
245.05145	1.7
246.03004	0.6
247.06522	2.5
248.04448	2.9
248.06755	0.9
248.99161	9.7
249.02573	1.0
249.04604	1.3
249.08372	2.7
251.05859	3.0
251.55977	0.7
252.05888	1.3
254.10405	1.5
254.14973	6.4
255.04799	0.5
259.06674	2.9
260.06323	9.2
260.56491	3.3
261.06445	1.4
263.06104	1.0
265.07703	0.9
267.00241	9.7
271.57190	1.6
272.00818	0.8
272.06824	1.6
272.11356	20.1
272.15982	35.3
273.08456	1.0
275.06268	0.8
277.07700	1.4
279.03867	0.5
281.05817	0.6
289.07788	1.5
290.02130	0.8
290.05197	0.8
291.09595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2415
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05497	2.8
57.07062	2.3
67.05498	8.1
69.06701	1.3
69.07056	11.7
71.12564	1.1
77.03889	0.8
79.05480	4.6
81.06580	1.1
81.07045	20.8
83.08603	2.5
91.05486	4.4
93.07027	9.5
95.08592	19.9
97.10144	1.7
97.61160	1.0
105.07010	19.2
107.08580	15.0
109.10143	18.9
111.11697	2.7
117.06993	2.4
119.08567	14.2
121.10126	9.0
123.11681	5.8
125.13275	1.6
131.08528	7.2
133.10117	9.0
135.11696	5.5
137.13205	2.9
145.10106	6.4
147.11646	8.1
149.13234	18.8
159.11641	4.3
161.13229	11.6
163.14799	11.1
173.13220	3.7
175.14783	11.1
177.16325	2.6
187.14795	5.2
189.16336	6.5
201.16312	7.3
215.17917	6.8
229.19485	1.3
243.21033	3.5
243.30936	0.9
254.61093	0.9
271.24167	100.0
272.24573	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75499	1.8
53.03915	4.1
55.01855	4.3
55.05505	69.9
57.03408	4.7
57.07065	15.7
65.03927	1.9
65.56838	1.9
67.05493	53.7
68.05814	1.9
68.41283	1.8
69.03416	2.7
69.07059	100.0
71.04967	7.4
71.08603	7.0
71.61999	1.7
71.62396	2.3
79.05479	19.9
81.07045	76.8
83.04965	5.4
83.08606	68.1
85.06512	6.7
85.10169	2.3
91.05464	20.7
93.06471	2.6
93.07033	37.1
95.04962	3.1
95.08596	79.1
97.06521	14.1
97.09528	3.4
97.10156	69.9
99.04475	2.2
99.08079	6.6
105.07012	26.9
106.93237	1.6
107.08579	27.6
109.06483	4.4
109.09446	3.3
109.10144	40.3
111.08054	7.6
111.11014	2.5
111.11708	28.1
112.07580	6.0
113.09643	3.5
116.00401	1.6
119.08553	23.3
121.09306	2.7
121.10126	37.9
123.08041	6.6
123.11700	13.8
125.09589	7.6
125.13245	8.9
127.07502	1.7
129.09082	2.5
131.08533	3.4
133.10103	29.6
135.11671	30.0
137.05931	2.2
137.09573	7.8
137.13210	11.6
139.11188	11.8
145.10088	3.0
147.11670	22.9
149.13242	8.4
151.11154	10.9
151.14784	6.9
153.06944	3.5
153.12740	9.8
155.08485	2.2
155.10583	2.3
159.08047	2.1
159.11667	4.6
161.13240	20.3
163.14795	2.7
165.06963	6.7
165.12726	14.6
169.12224	2.3
173.13283	3.8
175.14786	9.3
179.14249	8.8
183.07976	4.8
183.13832	2.3
189.16321	2.4
191.17928	2.4
193.15746	2.1
193.19473	5.2
197.05971	1.8
201.16437	1.8
211.07532	7.2
217.19485	51.5
235.20534	46.7
239.07019	3.0
253.21658	21.9
254.15730	2.4
271.06525	3.0
271.09619	17.5
271.17236	2.5
271.20325	2.4
271.24503	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	271.1899
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
52.82189	0.6
53.03934	1.2
55.01848	1.5
55.05506	16.5
57.03182	0.8
57.03428	10.2
57.07048	2.3
62.45596	0.6
67.01844	0.8
67.05498	23.2
69.03406	0.9
69.07061	16.2
70.36813	0.6
71.04995	5.2
71.08617	0.9
73.06547	0.8
73.66750	0.6
79.05487	10.3
81.03410	0.6
81.07047	41.6
83.04951	2.5
83.08611	8.4
85.02908	0.9
85.06536	4.5
91.05466	13.2
93.07040	11.3
95.04956	1.8
95.08594	42.8
95.33829	0.6
97.06525	5.7
97.10158	3.4
98.21488	1.8
99.08067	2.6
101.05994	0.7
101.82159	0.6
103.05458	0.7
105.07014	10.8
107.04939	1.0
107.08582	6.7
109.06490	1.9
109.10149	9.9
111.08064	2.5
113.09602	0.9
115.05343	0.9
117.06992	1.0
119.04919	5.4
119.08569	13.1
121.02835	1.0
121.06503	1.7
121.10109	4.5
123.08030	2.0
123.11674	3.0
125.09605	0.8
127.07571	0.7
128.51352	0.7
129.07022	1.2
131.08528	2.7
133.09210	0.9
133.10126	9.0
135.11674	5.4
137.09608	2.5
137.13226	2.9
141.06927	1.4
143.08542	0.8
145.02803	0.9
145.10081	2.6
147.11665	3.8
149.13217	2.4
152.06189	0.8
153.01799	7.1
153.06972	4.2
154.07799	0.7
155.08527	2.5
157.10098	0.9
158.82294	0.6
159.08011	0.9
159.11723	3.5
161.11960	1.0
161.13239	13.7
163.03949	0.8
163.14763	1.2
165.06978	8.5
166.41882	0.7
168.05702	6.5
169.06297	1.5
171.02866	1.4
171.11716	0.8
173.13248	2.2
175.14771	2.3
177.16400	0.8
179.14305	6.9
181.06442	2.2
182.07219	1.5
183.08034	6.7
183.11713	0.8
185.05864	3.0
186.06673	0.7
187.14726	2.1
189.16389	1.0
193.06401	2.3
196.05168	15.2
197.05984	8.2
200.08229	1.9
201.16330	2.2
207.04294	0.8
210.06828	1.1
211.07515	48.4
212.04536	0.8
212.08057	2.8
213.05363	10.4
213.09024	1.6
215.17960	2.5
217.12234	1.5
217.19405	1.1
221.05905	1.2
225.05446	4.9
225.09012	0.9
227.06975	5.7
228.07520	20.2
229.08138	0.8
235.13202	1.2
235.16917	1.1
239.07005	26.0
240.07777	22.0
241.04984	2.9
241.08182	1.3
242.09280	1.3
243.06474	0.6
243.10149	3.6
253.17960	1.0
253.21677	1.3
256.07123	21.5
257.07654	0.8
270.08795	0.7
271.05981	79.7
271.09534	100.0
271.19006	33.0
271.24075	15.4
272.06570	5.2
272.09692	5.4
272.19556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73048	0.6
53.03934	3.1
54.40147	0.7
55.01861	2.5
55.05502	33.7
57.03428	25.2
57.07066	5.5
59.04983	0.6
65.03926	2.2
67.05493	54.7
69.03421	2.4
69.07055	38.0
69.60709	2.6
69.61140	3.2
71.04979	11.7
71.08620	1.9
73.02929	1.0
73.06548	1.1
75.16666	0.6
77.95016	0.7
79.05481	24.2
81.03415	1.1
81.07041	89.8
82.07391	1.1
83.04972	5.6
83.08604	23.0
85.02861	1.2
85.06535	9.2
86.05318	0.6
91.04884	0.8
91.05466	24.7
93.07027	28.9
95.04950	2.9
95.08590	100.0
96.08970	1.0
97.06512	15.5
97.10146	6.8
99.04458	1.3
99.08072	4.7
101.05966	1.5
105.07013	25.1
107.04944	1.5
107.08573	18.8
109.02824	1.2
109.06507	4.7
109.10136	20.4
111.08067	5.0
111.11717	1.0
113.05970	1.1
113.09637	1.9
115.07629	0.8
117.07030	3.8
119.04900	2.0
119.08562	27.6
121.06505	3.7
121.10118	15.6
123.08037	5.8
123.11699	6.2
125.05974	2.4
125.09567	1.6
127.07522	2.6
127.11260	0.9
129.06975	1.1
131.08548	8.9
133.10106	22.8
135.08044	1.1
135.11661	12.1
137.05922	1.7
137.09593	3.4
137.13242	6.3
139.07510	0.7
141.06964	1.9
143.07005	2.9
143.08539	2.0
144.09290	1.1
145.10097	11.0
147.04390	0.8
147.11678	9.5
149.05943	1.0
149.13231	6.7
151.03918	0.7
151.11130	0.9
151.14752	1.8
152.06134	1.1
153.06958	5.1
155.08511	3.3
157.06503	1.2
157.10104	2.7
159.11664	14.8
161.09608	0.8
161.13228	37.2
162.13448	0.6
163.14835	3.7
165.06961	13.1
165.12750	1.9
166.07486	1.0
168.05676	1.7
169.06447	1.7
169.10072	1.0
171.11639	1.8
173.13248	8.0
175.11134	1.1
175.14786	5.3
177.16365	1.8
179.14287	14.7
181.06450	3.0
182.07196	1.9
183.08078	6.6
185.06004	0.9
187.14812	6.4
189.12711	1.2
189.16364	2.3
193.06438	2.4
193.12195	0.9
196.05080	1.4
197.05901	1.9
197.15335	1.4
199.07516	1.2
199.11090	1.5
200.08186	1.1
201.16391	5.4
203.17982	0.9
207.13705	0.8
210.06677	0.9
211.07507	9.0
212.08224	1.8
213.05479	1.1
213.09146	0.8
215.07021	0.9
215.17920	8.2
217.12193	3.9
217.19415	1.5
221.05879	2.0
227.73523	0.7
228.07733	0.9
229.19453	1.7
235.11169	0.8
235.13229	3.4
235.16942	1.0
235.20680	0.7
239.07001	2.5
240.07712	0.8
242.09479	1.1
243.10065	2.2
243.21045	0.9
253.14488	0.9
253.17834	4.8
253.21725	1.1
255.87267	0.7
256.07407	0.8
271.06033	3.4
271.09573	26.4
271.19022	86.6
271.24094	57.3
272.10059	1.0
272.19360	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01870	4.9
55.05507	4.3
57.03431	6.5
57.07072	3.4
64.68638	1.1
65.03954	2.7
67.05497	5.5
68.99786	2.3
69.03436	3.2
69.07058	2.7
69.15807	1.0
69.44761	7.4
69.45174	2.1
70.06575	2.0
71.04989	4.0
71.08625	1.7
72.08149	2.7
73.02909	35.1
75.04473	3.7
79.05482	2.9
81.03423	4.2
81.07053	7.3
83.04969	1.8
83.08633	2.8
84.04510	2.3
85.02912	3.4
85.06552	4.1
91.03960	1.9
91.05484	5.1
93.03401	1.5
93.07054	2.7
95.04977	4.0
95.06048	1.2
95.08583	5.5
97.02882	2.5
97.06574	1.6
98.20679	1.9
99.04469	1.1
99.08092	1.8
103.05487	2.7
105.07048	2.9
107.04970	4.5
107.08614	3.2
107.81768	1.1
108.02107	1.3
109.02865	5.0
109.06527	3.3
109.10190	3.0
110.03688	5.2
111.04449	5.4
111.11768	1.1
113.06007	1.2
119.04979	3.6
119.08589	2.6
121.02863	2.5
121.06517	3.8
121.10160	1.5
123.00836	1.3
123.04461	4.5
123.08109	1.8
124.05078	1.1
125.02387	1.0
125.05978	43.1
127.03912	5.2
127.11151	1.2
129.07018	1.6
131.08549	2.0
133.06531	1.2
133.10127	1.3
135.04434	3.7
135.08078	1.8
137.05977	4.9
137.09608	1.5
139.03952	1.4
139.07533	1.4
141.05467	2.4
145.04965	1.2
147.04457	2.3
147.06575	6.9
147.08017	1.3
149.05942	7.7
149.09631	1.7
150.06792	1.9
151.03888	100.0
151.07414	6.4
151.11198	1.7
152.04300	1.4
153.01884	2.0
153.07031	1.8
155.07095	1.7
155.08325	4.3
163.07599	2.9
165.05626	1.2
165.07065	3.8
167.07069	1.7
169.06488	1.8
173.06117	1.3
175.07600	1.9
177.05502	1.6
179.07021	24.3
181.05067	2.5
181.06531	1.4
183.04501	1.7
183.08098	3.1
193.06497	1.0
193.08705	2.4
195.06561	2.8
197.06181	2.4
197.08058	24.8
199.09718	1.7
201.05545	1.9
203.07088	1.7
209.08192	1.1
211.07570	5.2
215.10617	1.1
223.56970	1.1
225.05554	1.9
225.07358	1.8
225.09204	5.5
229.05069	3.1
235.09709	1.8
243.06570	2.2
253.10759	6.7
253.15811	1.3
271.06009	17.1
271.09839	3.1
271.11893	37.6
271.16653	4.6
271.19083	2.0
272.10364	1.1
274.17926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01852	1.4
55.05503	2.4
56.96550	3.5
57.03423	3.8
57.07066	2.2
57.43867	0.8
63.20120	0.8
67.05504	1.1
69.03421	3.1
69.07064	2.5
70.06567	1.4
71.04980	2.5
71.61164	1.1
73.06548	4.9
74.06876	2.9
79.05485	3.2
81.03413	2.2
81.07040	4.7
82.24606	0.8
83.04964	1.2
83.08610	1.7
85.02882	3.4
86.09676	0.9
91.05482	10.9
93.07022	1.3
95.04969	2.3
95.08611	3.7
97.02894	3.5
97.06511	1.2
97.10133	1.1
98.97557	2.5
99.04472	1.2
105.03364	3.4
105.07008	1.1
107.04939	2.7
107.38018	1.0
109.02866	3.4
109.06486	7.6
109.10147	2.3
110.06006	2.8
110.07175	2.1
111.04434	3.1
115.42274	1.0
116.98563	1.6
119.01875	1.1
119.04946	2.8
121.06496	1.3
122.03621	3.0
123.04399	1.3
124.03922	1.2
125.05962	1.3
127.03873	3.2
133.02838	23.3
134.99660	1.8
135.04338	1.6
136.07639	0.8
137.05965	13.3
139.03871	4.0
143.00204	1.1
145.04977	1.5
147.04291	1.1
149.05931	1.4
151.03908	1.6
151.46759	0.8
152.07025	1.3
153.01819	13.1
153.02901	1.0
153.05446	24.8
153.06708	1.4
157.00589	1.0
158.99603	1.0
161.01180	2.2
161.52463	0.9
164.07133	1.1
165.05457	27.9
165.06859	1.4
165.59334	0.8
167.03314	5.2
167.07037	3.4
177.00687	1.1
177.05322	1.0
179.02213	1.2
179.07002	1.4
181.05020	1.2
182.05730	100.0
183.06111	1.1
194.05705	1.3
195.06496	8.4
196.07292	3.3
197.08066	48.0
198.08208	1.0
223.01082	1.1
225.13280	1.0
260.05612	3.2
271.06146	2.9
271.13821	1.7
271.16537	1.3
271.23004	1.3
271.26349	1.4
272.15918	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.096
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03914	0.8
53.07428	0.3
54.05687	0.4
55.01667	0.3
55.01859	3.8
55.05486	0.8
57.03414	0.5
65.03906	1.1
67.05466	1.2
69.03407	1.3
69.07043	0.8
70.06570	0.4
71.61276	0.6
71.61666	0.5
79.05458	1.0
81.03396	0.9
81.07041	3.2
83.04947	1.0
85.02862	0.6
85.06493	1.2
89.03898	0.7
89.94341	0.4
91.05470	10.2
93.07029	1.1
95.04944	2.5
95.08571	1.7
96.31813	0.4
97.02869	0.6
97.06536	0.5
101.81948	0.4
105.06996	1.2
107.04936	2.9
107.08543	0.7
109.02852	0.7
109.06490	1.0
109.10148	0.8
111.04409	0.8
111.08080	0.4
115.05406	1.9
118.04119	1.2
119.04926	8.0
119.08523	0.8
121.06506	2.9
121.10117	0.8
123.04386	1.2
124.05211	0.4
125.05911	0.8
127.03855	0.4
128.06216	0.9
129.06972	1.9
131.04892	0.9
131.08517	0.8
133.02841	0.8
133.06491	0.6
133.10078	0.5
134.03554	1.2
134.17307	0.4
135.04355	1.4
135.08060	0.7
137.05963	5.2
137.09581	0.5
139.05507	0.5
140.06233	0.5
141.06967	4.2
141.85335	0.4
145.06465	0.7
146.03639	0.4
147.04381	1.3
147.07994	0.5
149.05963	2.2
150.06725	1.5
150.57539	0.4
151.03848	0.8
152.06180	4.2
153.06964	21.9
154.07773	2.7
155.04932	0.6
155.08517	12.2
157.06479	3.2
161.05940	0.7
165.06975	53.8
166.07443	0.9
167.08472	0.6
168.05663	6.7
169.06442	4.0
170.07213	1.1
171.08005	0.9
173.05867	0.5
177.06940	0.4
178.07782	0.7
179.04816	1.0
179.08475	0.7
180.05664	0.5
181.06453	12.5
182.07216	6.0
183.08022	29.0
184.08383	0.6
185.05978	3.1
187.07445	1.0
193.06313	9.6
193.07903	0.6
194.07184	1.6
195.08026	1.1
196.05153	5.6
197.05943	3.5
197.09554	1.0
198.06657	1.5
198.14870	1.3
199.07442	2.2
200.08260	2.7
207.04381	3.2
209.05920	1.8
210.06679	3.4
211.07501	30.4
212.08234	5.0
213.05434	1.5
213.09068	1.5
221.05930	11.2
224.08405	0.4
225.05371	0.6
225.09033	2.9
226.14313	1.3
227.06963	1.4
227.72571	0.5
228.07777	3.3
238.06197	0.7
239.06967	7.3
240.07584	0.7
241.08531	0.7
242.09305	4.0
243.06505	1.0
243.10126	3.6
253.08536	1.8
253.19884	0.9
256.07288	1.4
262.55902	0.4
270.08728	0.6
271.09592	100.0
272.09888	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0961
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.55690	0.3
50.88129	0.2
51.68750	0.2
51.72768	0.2
51.90272	0.3
55.01855	0.4
55.05500	1.4
57.03423	0.4
57.07063	0.4
66.43359	0.2
67.05492	1.8
69.07052	2.0
69.50351	2.4
71.04994	0.6
71.08656	0.3
79.05481	1.1
81.07050	4.0
83.08609	1.2
85.06528	0.4
91.05476	1.3
93.07032	1.5
95.08595	4.0
97.06514	0.6
105.07027	1.5
107.04961	0.3
107.08556	1.3
107.99722	0.3
109.10153	1.9
111.08051	0.4
119.04931	0.6
119.08569	1.7
121.02846	0.2
121.06491	0.3
121.10126	1.2
123.11694	1.2
128.08057	0.3
129.06987	0.3
131.08586	0.5
133.10112	1.2
135.11676	0.8
137.13243	0.3
141.07068	0.3
143.08559	0.6
145.10114	0.9
147.11682	1.2
149.13232	0.6
152.06215	0.5
153.01807	0.4
153.06989	1.5
155.08499	0.8
159.11687	0.9
161.13251	1.6
163.14810	0.5
165.06996	3.2
168.05669	4.7
169.06401	0.6
171.11667	0.3
173.13264	0.9
175.11063	0.3
175.14804	0.6
181.06485	1.2
182.05524	0.3
182.07310	0.6
183.07997	3.0
185.05910	2.8
186.06740	0.3
187.14795	0.7
193.06467	0.5
194.07253	0.3
196.05165	16.0
197.05931	7.5
197.07669	0.5
199.07469	0.7
200.08304	1.1
201.16330	0.4
210.06750	0.9
211.07515	42.9
212.04771	0.6
212.08162	2.1
213.05438	9.8
213.08824	1.8
214.06157	0.5
215.10519	0.3
215.17929	1.0
217.12332	0.4
221.05957	0.4
225.05455	4.5
225.08949	0.3
227.06987	6.0
228.07774	11.0
235.13019	0.3
235.20518	0.4
238.06239	0.5
239.06999	24.4
240.07777	28.0
241.04909	2.3
241.08330	0.7
242.09377	0.7
243.07626	1.0
243.10123	2.9
253.08337	0.4
254.09424	0.6
255.06416	0.6
256.07257	18.4
257.07791	0.4
259.72760	0.3
270.08688	0.6
271.06268	5.9
271.09595	100.0
271.24170	5.1
272.06784	0.4
272.09982	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	271.096
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01860	0.6
55.05498	2.0
55.95113	0.3
57.03424	0.8
57.07074	0.5
67.05498	2.8
69.07061	2.3
69.53134	0.6
69.53541	2.0
71.04980	0.8
71.41158	0.3
79.05483	2.1
81.07042	6.0
83.04961	0.8
83.08603	1.0
85.06521	1.1
86.28828	0.4
91.05469	2.4
93.07030	3.9
95.04977	0.7
95.08595	4.8
97.06508	1.6
97.10154	0.7
99.04411	0.5
105.07007	3.1
107.05000	0.3
107.08566	2.1
109.06499	0.9
109.10140	2.2
111.08078	0.8
111.70224	0.3
113.67885	0.4
119.04956	0.5
119.08565	2.0
121.06498	1.5
121.10119	1.6
123.08031	0.7
123.11692	1.0
125.05949	1.3
127.07498	0.5
129.06999	0.6
131.08569	0.5
133.10110	2.4
135.11652	1.0
137.05952	0.5
137.09644	0.3
137.13191	0.6
137.35635	0.4
139.07556	0.3
141.06956	0.8
143.07001	1.1
143.08557	0.4
145.10124	1.2
147.11655	2.4
149.09596	0.3
149.13235	0.9
151.07539	0.4
152.06255	0.6
153.06955	1.9
155.08568	0.9
157.06496	0.4
157.10085	0.5
159.07964	0.3
159.11690	1.0
161.09610	0.6
161.13254	1.5
162.12857	0.3
163.14861	0.4
165.06960	4.4
165.12772	0.7
168.05685	4.9
169.06451	0.7
170.88979	0.3
171.11659	0.5
173.13231	0.8
175.11122	0.5
175.14803	1.0
181.06448	2.0
182.07159	0.5
183.08032	3.3
185.05922	3.1
187.14827	0.5
189.12694	0.7
189.16359	0.4
193.06418	0.8
193.12248	0.4
194.07320	0.4
196.05173	14.2
197.05954	7.7
199.07466	0.6
199.11244	0.4
200.08357	1.9
207.13797	0.5
210.06734	0.8
211.07512	43.1
211.35875	0.3
212.08185	2.3
213.05431	10.1
213.08904	1.6
213.10944	0.3
214.06084	0.4
215.10764	0.4
215.17879	0.6
217.12178	1.9
221.05995	0.7
225.05441	3.8
227.06979	5.8
228.07758	9.7
235.13322	2.1
235.16869	0.8
239.04492	0.7
239.06992	24.1
240.07773	27.6
241.04929	2.5
241.08382	0.5
243.10118	2.8
253.08531	0.4
253.14313	1.3
253.18031	0.6
254.09384	0.7
255.06424	0.6
256.07263	16.7
257.08118	0.4
270.08749	0.5
271.09601	100.0
271.19025	1.9
271.24133	5.1
272.09961	2.8
274.32175	0.4
291.85864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.096
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01871	0.8
55.05488	1.7
57.03397	0.4
57.07059	0.9
65.03906	0.6
67.05493	3.8
69.03429	0.5
69.07049	3.8
69.43649	3.0
71.04967	1.0
73.02921	0.4
76.01990	0.4
79.05479	3.1
81.03407	0.5
81.07040	7.8
83.04953	1.3
83.08601	1.2
85.06510	1.5
91.05466	4.1
93.07027	6.2
95.04984	2.0
95.05460	0.4
95.08591	6.1
97.06500	1.9
97.10120	0.7
99.04420	0.9
99.08071	0.7
105.07018	3.9
107.04922	1.1
107.08579	4.4
107.55178	0.4
109.02863	0.6
109.06498	1.7
109.10135	3.9
111.08051	0.5
113.05971	0.6
115.05358	0.4
117.06969	0.5
118.04047	0.4
119.04912	1.9
119.08566	3.8
121.06470	2.9
121.10123	3.0
123.04356	0.6
123.08034	0.5
123.11649	2.0
125.05967	1.3
127.07552	0.8
127.11147	0.4
127.84634	0.3
129.06952	0.7
131.08531	1.8
133.10098	3.4
135.04503	0.4
135.07985	0.5
135.11650	2.4
137.05936	1.6
137.09570	0.5
139.07549	0.8
141.06963	1.6
143.07018	1.3
143.08482	1.0
145.06447	0.6
145.10114	2.1
147.04428	0.8
147.08055	0.8
147.11646	4.6
149.05917	0.7
149.09586	0.7
149.13203	1.8
151.11125	0.5
152.06198	1.0
153.06946	4.7
154.07660	0.5
155.08531	3.6
157.06494	0.7
157.10098	1.4
159.08031	0.4
159.11676	2.0
161.09572	0.4
161.13225	2.6
163.14761	0.8
165.06973	11.7
165.12730	1.2
166.07384	0.4
167.07011	0.4
168.05670	5.0
169.06429	0.6
169.10034	0.5
171.08034	0.4
171.11636	0.7
173.13202	1.2
175.11125	0.9
175.14792	1.1
177.16315	0.6
181.06467	2.5
182.07211	1.2
183.08017	6.8
185.05908	2.7
187.07491	0.4
187.14777	1.2
189.12682	0.5
189.16316	0.6
193.06400	2.2
193.12187	1.0
194.07297	0.5
196.05168	14.2
197.05936	6.1
198.06673	0.8
199.07413	0.8
199.11153	1.3
199.14728	0.6
200.08238	1.9
201.16354	1.2
207.04333	0.6
207.13757	0.6
210.06694	1.3
211.07500	37.0
211.13171	0.9
212.08105	2.4
213.05440	7.7
213.08861	1.7
215.17828	1.7
216.68126	0.4
217.12212	3.6
217.19583	0.7
221.05896	1.9
225.05418	3.2
225.09122	0.9
227.06978	3.9
228.07759	8.7
229.19601	0.6
235.13235	2.5
235.16873	0.6
239.06993	21.2
240.07747	20.3
241.04944	1.3
242.09267	1.3
243.10042	2.9
253.08496	0.4
253.14255	1.8
254.09299	0.8
256.07227	12.1
257.07852	0.5
270.08759	0.8
271.09586	100.0
271.24170	11.2
272.09958	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	270.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.3
55.05505	9.3
57.03436	4.4
61.02920	8.4
69.03421	13.5
70.06580	1.2
71.04975	2.5
71.13644	1.7
73.02914	3.9
73.06557	6.3
75.04458	0.7
76.03960	0.8
81.03419	5.7
84.04478	1.4
85.02896	100.0
87.04453	2.4
91.03941	7.1
95.06073	1.1
97.02269	1.6
97.02877	20.3
99.04426	3.7
103.03946	1.0
105.33783	0.8
105.61633	1.0
109.02853	6.6
127.03899	28.9
127.08589	0.9
130.04976	0.9
134.71307	0.8
136.06136	6.1
137.06548	1.5
138.07709	1.1
145.04942	51.0
153.01790	1.0
153.05319	0.8
163.06006	24.1
182.05757	2.3
199.09653	0.9
253.12758	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	270.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
55.03394	0.6
55.05498	1.1
56.96560	0.6
57.03429	3.1
57.07066	0.6
58.99858	1.6
61.02903	2.6
67.05479	0.7
67.38058	0.6
68.98285	0.9
69.03427	5.7
69.07058	0.6
70.06565	1.7
70.99867	0.7
71.04993	1.0
71.36107	1.2
71.36448	0.7
73.02898	2.6
73.06553	0.6
77.00900	1.8
78.39417	0.6
81.03401	2.8
81.28552	0.5
82.01448	0.8
82.99840	2.0
83.04977	1.2
84.04487	1.1
85.02895	9.3
87.00795	0.7
87.04471	0.8
89.00881	0.8
94.02683	0.5
95.08581	0.6
97.01366	1.0
97.02885	4.9
98.06052	0.8
98.97587	1.3
99.04415	1.2
100.02468	2.3
101.00869	30.3
102.00930	0.7
103.02437	0.9
107.08589	0.7
108.04448	0.7
109.02863	2.8
110.07166	0.9
111.04420	1.2
111.13508	0.6
112.07594	1.6
113.00838	1.1
114.66824	0.5
115.02411	10.7
115.03191	0.7
115.03867	0.8
116.44837	0.6
116.98626	0.9
117.04000	0.8
118.01186	0.8
118.03510	1.7
119.01904	100.0
120.01994	1.7
121.01620	1.2
121.03483	0.9
124.02370	0.7
124.03917	1.8
126.98780	1.6
127.02329	1.0
127.03906	2.5
127.08645	1.1
129.03973	2.8
129.05487	0.9
131.01878	6.2
132.01965	0.9
133.03462	17.2
135.05025	1.8
136.06163	2.4
137.01982	0.8
137.02933	23.1
138.05453	5.4
140.05640	0.9
140.92903	0.6
142.03490	3.9
143.01871	4.8
144.99818	7.6
145.03473	4.7
145.04965	1.6
146.03490	1.0
147.01398	0.9
147.05026	3.7
149.02937	1.5
151.04474	1.9
153.01767	1.4
153.03978	0.9
155.01907	1.4
156.05089	0.7
157.03444	2.0
158.06622	7.4
159.01385	1.6
159.05070	0.9
161.02939	11.1
162.99385	0.6
163.00815	1.3
165.03909	0.6
167.01859	0.7
167.05553	1.4
168.04939	0.6
168.99800	12.0
169.03439	1.6
170.06599	1.8
171.01393	2.0
171.05049	1.4
172.99319	1.7
173.02939	5.1
174.04514	1.2
174.54694	0.6
175.02827	0.6
175.04416	1.5
176.06131	1.5
176.07686	6.2
177.02444	2.7
177.05905	0.8
179.04039	0.8
179.55539	0.7
180.06261	1.4
182.03026	1.4
182.09250	0.8
183.05104	1.1
184.04614	0.8
185.02914	2.7
185.06386	0.7
187.00858	29.6
187.02553	1.4
187.04463	1.4
187.57114	0.6
188.07666	8.1
189.02525	3.6
189.04179	0.9
189.06767	1.3
191.00349	1.5
191.03963	3.5
192.05666	0.6
193.09723	1.4
196.99283	7.1
197.06567	0.7
198.06041	0.9
199.00919	1.1
199.04448	1.7
200.04111	1.2
200.07693	0.7
201.00761	0.8
201.02397	3.9
201.06033	1.3
203.03999	2.3
205.01924	9.2
205.05496	0.8
207.03506	1.0
210.02470	2.1
211.10846	0.8
212.07828	0.6
214.05756	0.7
215.00337	41.3
216.00365	0.7
217.01958	3.3
219.03503	4.3
221.05017	1.6
223.02847	1.0
224.07741	1.8
226.05641	0.8
229.01820	5.8
229.05611	1.5
232.06839	0.7
233.01340	5.5
238.01900	3.2
242.08650	1.8
245.04910	0.7
247.02937	19.8
247.06628	3.4
251.02403	3.0
252.14572	1.0
256.00479	0.7
256.03003	2.0
265.04187	6.3
265.07193	1.0
270.04565	2.4
270.08264	10.9
270.14456	1.1
274.04022	1.2
275.02652	1.0
275.06125	1.0
275.09634	0.8
288.06116	1.4
288.09149	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	269.1743
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03937	2.4
55.01848	3.6
55.05259	1.6
55.05502	18.7
56.69338	1.0
57.03433	28.3
57.07078	6.3
65.03924	3.3
67.05494	70.3
69.03409	2.5
69.07058	31.7
71.01324	1.1
71.04987	6.9
71.08611	2.5
71.62130	1.2
71.62497	1.3
71.62852	1.2
73.02873	1.5
73.04809	1.0
77.89957	1.0
78.85407	1.0
79.05480	37.7
81.03400	3.0
81.07043	100.0
83.04971	11.0
83.08607	19.2
85.06527	10.9
91.05466	21.2
93.07028	68.3
95.04954	7.7
95.08591	34.0
97.06506	14.7
97.10131	4.3
99.04458	2.2
99.08092	5.6
105.07015	12.9
107.04943	2.0
107.08580	41.5
109.06519	5.5
109.10130	9.6
110.46196	1.2
111.08060	9.2
111.11689	1.8
113.05967	1.8
113.09610	2.5
117.07004	10.2
119.08560	6.1
121.06461	1.9
121.10120	22.0
123.08076	3.0
123.11675	7.2
125.09590	2.8
127.03906	1.4
127.07516	4.1
128.07838	1.1
129.07071	1.3
130.58746	1.1
131.08530	13.2
133.10112	11.4
135.08046	2.6
135.11688	13.9
137.05898	1.4
137.09590	1.7
137.13217	2.5
139.07530	1.5
139.11185	2.6
143.08495	2.3
144.09291	1.2
145.10129	5.2
147.11650	4.0
149.09590	2.9
149.13232	44.9
151.11153	2.8
153.09065	1.4
157.10098	3.9
159.11670	25.8
161.13196	1.8
163.11180	2.2
165.06921	1.0
165.12753	1.5
171.11595	1.5
173.13257	2.9
175.14886	1.3
177.12733	11.0
180.07738	2.2
181.06468	1.8
181.12080	1.6
181.74155	1.2
185.13234	2.1
187.11137	2.3
187.14879	1.6
191.10573	1.8
195.13760	15.8
199.14781	1.7
209.06010	1.8
211.75900	1.0
213.14661	1.4
213.16434	2.0
214.38661	1.1
215.17920	3.7
226.06319	1.3
227.17946	1.2
233.15421	2.3
233.18874	2.2
241.08511	2.0
251.12735	1.6
251.16347	1.5
251.19966	4.2
254.05704	1.2
269.07980	7.4
269.11206	2.5
269.17432	69.1
269.22495	12.8
270.17831	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.39278	0.8
53.03931	2.2
55.01858	3.0
55.05262	1.5
55.05504	20.8
57.03430	33.5
57.07059	4.1
65.03933	2.2
67.05495	70.3
69.03418	2.5
69.07059	31.8
69.28894	7.6
69.29317	2.7
71.01373	1.2
71.04979	7.6
71.08598	1.5
79.05481	41.4
81.03384	2.5
81.07045	100.0
83.04964	9.9
83.08610	18.2
84.18269	0.8
85.06531	8.9
91.05465	21.7
91.76865	0.8
93.07032	71.8
94.07359	1.0
95.04935	6.0
95.08593	33.2
97.06516	16.3
97.10152	2.6
99.04408	1.6
99.08069	5.4
105.07019	10.5
107.08576	38.1
109.06519	4.5
109.10146	11.1
111.08080	11.6
113.05993	1.8
113.09669	1.5
117.06990	10.1
119.08578	6.6
121.06487	2.0
121.10123	26.4
123.08088	1.8
123.11674	5.8
125.09592	2.4
127.07518	2.7
129.06966	1.4
131.08557	12.1
133.10129	11.1
133.73402	0.9
135.08028	3.1
135.11682	13.9
137.09612	1.3
139.11172	3.0
143.08479	1.0
145.10127	3.6
147.11678	4.7
149.09607	1.7
149.13234	55.3
151.11191	1.9
153.09061	1.5
157.10089	1.3
159.11678	23.8
161.13223	2.0
163.11171	1.5
167.14342	1.4
171.11646	2.4
173.13257	2.5
177.12720	11.8
181.12207	1.1
185.13303	1.5
187.14838	1.9
189.16492	1.2
191.10667	1.4
195.13766	18.7
197.25598	0.9
199.14789	2.6
213.14668	1.2
213.16432	2.2
215.17909	2.8
227.17924	1.8
233.18938	2.6
241.08601	1.0
251.19987	3.4
269.08047	2.8
269.17447	73.7
269.22531	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	269.1742
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03929	2.1
55.01856	3.7
55.05262	1.6
55.05504	21.4
57.03146	2.1
57.03427	39.7
57.07046	3.5
65.03911	2.8
67.05494	78.5
67.60110	1.3
69.06676	1.6
69.07059	32.7
69.66892	9.1
71.04972	6.3
71.08611	2.1
73.02836	1.1
79.05482	39.8
79.19527	1.1
81.03394	3.2
81.07043	100.0
83.04967	11.5
83.08604	19.3
84.08267	1.2
85.06526	6.5
91.05463	20.5
93.07030	78.3
95.04934	5.9
95.08590	29.0
97.06519	16.9
97.10136	3.6
98.21527	1.8
99.08053	4.2
105.07020	7.4
107.08583	41.2
109.06492	4.5
109.10120	5.1
111.08069	11.4
117.07000	7.7
119.08573	4.0
121.06487	2.7
121.10139	25.2
123.11668	4.0
131.08554	11.8
133.10109	9.7
135.07997	3.3
135.11676	9.6
139.11145	2.2
147.11668	2.1
149.13237	64.5
159.11665	21.9
167.14299	2.8
177.12724	12.3
195.13794	20.5
213.14850	1.9
269.17413	84.8
269.22482	6.0
270.17874	2.3
283.87506	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1742
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	2.3
54.55303	1.1
55.01861	2.4
55.05257	1.4
55.05503	18.9
57.03427	35.8
57.07071	5.2
61.30805	0.9
65.03950	1.9
67.05495	73.9
69.06674	1.5
69.07053	31.0
71.01358	1.4
71.04977	6.4
71.14503	2.2
77.03885	1.1
79.05481	39.7
80.05792	1.2
81.03393	2.7
81.07042	100.0
82.07372	1.6
82.71131	1.0
83.04968	9.5
83.08601	20.0
85.02899	1.1
85.06516	7.4
91.05467	19.0
93.07027	69.0
94.07364	1.3
95.04959	5.6
95.08587	22.3
97.06516	15.9
97.10143	2.1
99.08078	5.9
104.09611	1.3
105.07004	8.7
107.04933	1.2
107.08577	34.8
107.86636	1.0
109.06487	3.8
109.07193	1.1
109.10118	4.5
111.08059	10.2
111.11703	1.6
113.09607	2.3
117.06992	9.0
119.08564	2.5
121.06458	2.1
121.10123	23.3
123.07980	1.2
123.11682	2.3
127.07545	1.2
131.08549	8.5
133.10103	8.1
135.08018	1.7
135.11690	11.9
139.07559	1.0
139.11133	2.6
145.82687	1.0
147.11649	2.5
149.13232	62.1
159.11673	22.4
165.12729	1.2
167.14296	2.0
177.12720	14.2
178.13092	1.1
181.06274	1.0
195.13792	20.2
206.93358	1.2
213.14752	1.6
269.17432	76.6
269.22467	4.3
270.17688	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	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03944	2.2
55.01851	3.0
55.05503	20.6
57.03429	33.6
57.07074	5.8
59.48909	0.8
61.52716	0.9
64.26062	0.9
65.03920	1.6
67.05495	69.8
69.03416	1.2
69.07058	30.2
70.81974	2.8
71.01345	1.0
71.04980	7.4
71.08605	1.3
71.37334	0.8
79.05482	41.1
79.05955	1.9
81.03390	2.2
81.07045	100.0
83.04972	9.9
83.08134	1.3
83.08604	18.1
85.06536	8.7
87.69556	0.8
91.05464	19.9
93.07031	72.5
95.04961	7.0
95.08591	28.2
97.06510	16.9
97.10143	3.8
99.04456	1.1
99.08052	4.8
105.07001	8.9
107.07851	2.1
107.08577	37.7
109.06495	3.9
109.10118	7.9
111.08067	9.4
111.11681	1.1
113.05968	1.4
113.09641	1.1
116.03566	0.9
117.06997	10.7
119.08568	4.4
121.06509	2.0
121.10127	26.9
123.08100	1.8
123.11678	3.6
125.05984	1.3
125.09603	1.1
127.07486	1.8
131.08549	11.1
133.10094	9.9
135.08057	2.0
135.11659	12.5
139.07510	1.1
139.11139	3.3
145.10114	2.7
147.11649	3.0
149.13234	56.4
151.11101	1.5
157.10068	1.9
159.10431	1.6
159.11673	24.0
161.13161	1.8
163.11133	1.1
167.14215	1.8
168.35550	1.0
171.11681	1.2
173.13222	1.4
177.12737	10.7
185.13300	1.6
187.14786	1.3
195.13770	17.1
213.14700	2.0
215.17999	1.7
215.25537	1.0
251.20120	2.1
269.17438	69.0
269.22336	10.6
270.17844	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03944	1.8
55.01863	2.9
55.05504	20.3
56.28203	0.8
57.03429	40.7
57.07071	3.9
57.81199	0.7
64.94786	0.7
65.03927	2.1
66.65899	0.8
67.05495	77.1
69.07058	31.2
69.07442	1.1
69.47580	4.9
69.47984	1.6
70.69769	0.7
71.01331	0.7
71.04987	8.1
71.08620	1.4
73.02932	0.9
77.03902	0.8
79.05482	43.2
81.03431	1.1
81.07046	100.0
83.04969	11.4
83.08604	17.3
84.06731	0.8
85.06534	5.9
91.05471	18.1
93.07030	73.1
95.04955	6.0
95.08597	26.7
97.06518	17.5
97.10154	2.7
99.08070	5.7
104.72846	0.8
105.04507	0.9
105.07017	8.2
107.08579	41.6
108.50147	0.8
109.06520	4.2
109.10120	5.8
111.08070	11.7
111.11686	1.7
113.06001	1.5
117.07005	10.1
119.08560	3.1
121.10124	25.7
123.08076	0.9
123.11701	2.9
125.09628	1.4
127.07575	1.5
129.06979	1.2
131.08554	10.7
133.10103	7.9
135.08046	2.8
135.11667	13.2
139.11189	4.2
145.10126	1.0
147.11687	2.1
149.13239	62.6
150.13564	1.0
151.11121	0.9
153.08995	1.0
159.11673	25.4
165.12674	1.3
167.14336	1.5
177.12724	13.1
195.13766	18.4
209.58789	0.7
213.14757	1.2
232.50214	0.7
245.60847	0.8
256.74261	0.8
262.42343	0.8
269.17432	88.0
270.17899	0.8
271.17068	0.8
291.27692	0.8
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	Arteincultone
Peak:m/z	Relative Intensity
51.24947	2.2
52.98198	2.0
54.19777	2.3
55.01858	3.9
55.05505	18.2
56.67565	2.2
57.03429	33.5
57.07062	6.5
65.03931	2.2
65.63062	2.5
67.05496	73.3
69.07061	30.7
70.87448	2.5
70.87762	4.6
71.04974	7.7
73.02862	2.9
74.10881	2.3
79.05481	42.9
79.13763	2.3
81.03399	4.5
81.06577	5.3
81.07046	100.0
83.04967	15.1
83.08604	15.7
85.06522	5.5
91.05483	17.0
93.07031	71.6
95.04965	4.2
95.08604	28.8
97.06528	17.4
99.08060	5.6
104.99260	6.3
105.06987	8.5
107.08578	39.7
109.06510	4.1
109.10126	7.3
111.08058	10.1
111.11720	3.5
117.06983	10.5
119.08537	2.9
121.10139	24.8
123.07999	3.7
125.67410	2.5
131.08521	10.3
133.10069	11.6
135.11694	12.5
139.11151	2.8
147.11664	5.2
149.12039	3.1
149.13232	61.4
159.11671	27.2
177.12695	10.4
186.99432	5.3
195.13745	17.9
213.14882	3.2
225.47815	3.0
269.12964	3.2
269.17401	78.3
269.22372	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	269.1742
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
50.39158	1.0
53.03942	2.6
55.01861	2.9
55.05260	1.4
55.05505	22.2
57.03428	35.3
57.07052	4.7
63.91268	0.9
65.03912	1.5
67.05492	74.2
69.03393	1.0
69.07056	31.3
69.55717	8.5
70.80018	1.2
71.01357	1.0
71.04974	7.5
71.08623	1.9
73.38042	1.0
79.05481	38.0
79.05948	2.0
81.03397	2.9
81.07043	100.0
81.96572	1.1
83.04964	10.7
83.08604	18.3
85.06537	6.4
85.10195	1.0
91.05460	20.1
93.07027	71.7
95.04942	5.8
95.08584	28.9
96.08907	1.3
97.06509	15.9
97.10134	4.0
99.08096	5.9
100.79880	1.1
105.07001	10.0
107.08580	38.1
108.54930	1.1
109.06476	3.7
109.10135	10.4
111.08073	11.2
111.11663	1.9
113.09654	1.4
117.06995	9.0
119.08543	6.2
121.06490	2.3
121.10122	27.5
123.11658	5.3
129.06990	1.9
131.08543	11.5
133.10095	11.4
135.08015	2.7
135.11682	12.0
137.09512	1.2
137.13145	1.2
139.11143	2.9
143.08540	3.0
144.09241	1.0
145.10086	2.9
147.11647	3.1
149.09573	1.2
149.13232	54.5
151.11159	2.0
157.10095	3.5
159.11668	24.4
161.13240	1.9
167.14270	2.7
171.11684	1.5
173.13269	2.3
175.14766	1.0
177.12752	11.9
185.13226	2.3
187.14771	3.0
195.11848	1.9
195.13756	18.4
199.14760	2.9
213.16429	2.7
251.20076	2.9
269.07993	2.3
269.17419	71.0
269.22290	13.9
270.08820	1.8
270.17776	2.1
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	Arteincultone
Peak:m/z	Relative Intensity
53.03928	3.3
55.01853	2.2
55.05502	17.7
55.79079	1.6
57.03429	35.1
57.07047	5.4
60.01525	1.9
60.87427	1.5
65.03925	2.0
67.05495	71.8
69.07054	30.8
69.32681	12.6
69.33104	7.6
71.04962	5.7
79.05480	38.7
81.07046	100.0
82.42232	1.7
83.04971	12.8
83.08611	18.4
85.06539	9.0
85.18181	1.9
91.05474	17.8
93.07031	75.4
95.04937	5.3
95.08589	23.1
97.06526	17.5
97.10137	3.8
99.08055	5.3
104.99267	10.3
105.07018	9.4
107.08585	39.7
109.06523	4.6
109.10110	4.8
111.08083	10.9
111.11692	2.3
117.06978	9.0
119.08538	2.8
121.06494	2.4
121.10126	22.9
123.11700	3.4
131.08557	14.6
133.10103	9.8
135.08035	2.9
135.11693	11.2
139.11113	3.5
145.10025	1.8
147.11609	2.1
149.13242	62.7
151.11121	2.0
159.11676	25.3
167.14276	2.1
177.12679	12.4
186.99513	4.3
190.84306	1.9
193.16461	1.6
195.13748	20.0
256.44296	1.8
269.17410	91.1
269.22528	12.2
270.18008	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03922	3.2
55.01847	3.5
55.05505	19.1
57.03426	29.0
57.07065	6.3
65.03912	1.7
67.05495	71.7
69.03379	0.9
69.07059	29.2
71.04983	5.9
71.08605	2.9
71.72275	1.0
79.05481	44.5
81.03385	2.1
81.07045	100.0
82.54613	0.9
83.04977	10.1
83.08604	16.4
85.06528	6.1
91.05463	21.2
93.07031	63.9
95.04970	8.0
95.08592	25.8
97.05988	1.2
97.06521	16.4
97.10136	4.8
99.04456	1.1
99.08055	3.4
105.04446	1.0
105.06358	1.4
105.07009	13.6
107.07854	1.6
107.08580	31.8
109.06480	3.9
109.10138	5.8
111.08077	9.5
111.11697	1.4
113.06003	1.4
113.09644	1.1
117.06986	11.4
119.08543	4.6
121.06496	1.8
121.10126	22.0
123.08061	1.4
123.11666	4.8
125.05929	0.9
125.09606	2.0
127.07507	1.5
129.06883	1.1
131.08548	13.0
133.10118	11.8
135.08020	2.1
135.11679	10.5
135.70251	1.1
139.11134	2.8
143.08597	1.1
145.10088	3.5
147.11638	2.2
149.09546	1.8
149.13232	46.3
151.11163	2.9
157.10080	3.0
159.11667	28.3
161.13210	2.5
163.14705	1.5
167.14290	1.9
171.11678	1.9
173.13235	1.8
175.14799	1.1
177.12723	14.3
179.14285	1.4
185.13246	1.5
187.14867	1.6
195.13788	15.9
197.13210	1.1
199.14691	0.9
213.14624	1.8
213.16422	1.3
227.17912	1.1
233.18925	1.2
251.20084	2.3
269.17404	83.4
269.22488	9.2
270.17719	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.25594	0.1
55.01871	0.2
57.03425	0.5
69.03418	0.4
69.82938	0.9
73.02918	0.3
78.32492	0.1
78.46264	0.1
85.02883	0.2
94.04010	0.2
97.02916	0.1
98.20827	0.3
119.03524	0.8
124.03880	0.2
133.04929	0.2
136.06163	100.0
137.04565	0.3
137.06641	1.0
179.95676	0.1
180.10483	0.2
268.10355	7.4
269.10672	0.2
273.67560	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	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01861	0.4
57.03416	0.7
60.01364	0.1
61.02916	0.5
69.03422	1.0
70.47072	0.6
71.01351	0.2
73.02902	0.5
74.42517	0.2
81.03391	0.2
85.02873	1.1
93.17376	0.2
94.04038	0.3
95.19298	0.2
97.02886	0.6
98.21400	0.2
99.87222	0.2
101.00902	0.2
104.10726	0.2
106.02869	0.4
106.08711	0.1
109.02861	0.3
115.03960	0.2
119.01888	0.2
119.03504	0.4
124.03936	3.4
127.03941	0.3
131.01846	0.2
133.04941	0.3
133.40877	0.1
133.64290	0.1
136.06161	100.0
137.04578	0.5
137.06512	0.7
143.01881	0.2
145.03433	0.2
145.04729	0.1
153.01804	0.4
161.02794	0.3
165.70718	0.2
177.05933	0.2
178.04875	0.4
178.07288	0.3
179.05705	0.2
185.03072	0.2
194.07201	0.2
203.03993	0.2
245.05159	0.3
268.08029	0.9
268.10388	9.7
268.16348	0.7
269.10501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1586
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03921	2.8
55.01861	2.2
55.05306	0.7
55.05503	8.5
55.85509	0.7
57.03431	15.0
57.07061	1.3
64.91930	0.7
65.03929	0.7
67.05495	18.2
69.03415	2.5
69.07053	6.4
69.52033	6.2
71.04990	3.3
79.05480	15.0
81.03407	70.2
81.07047	37.8
83.04964	8.0
83.08611	12.1
85.02876	1.0
85.06520	2.5
91.05471	18.5
93.07025	9.6
95.04955	15.2
95.08588	12.8
97.02865	1.0
97.06515	2.9
97.10126	1.4
99.08065	2.1
99.37075	0.6
105.07018	19.2
107.04933	2.8
107.08596	5.3
109.06483	4.0
109.10141	2.3
111.04446	0.7
111.08074	5.2
113.06013	1.1
114.64813	0.7
117.06971	1.4
117.55045	0.8
119.04967	0.9
119.07777	1.3
119.08566	16.3
121.06467	1.6
121.10123	9.0
123.08027	1.8
123.11677	8.2
127.07516	1.0
129.06989	5.6
131.08533	6.1
133.06459	1.8
133.10083	5.7
135.11700	0.8
137.09612	1.0
137.13240	0.9
139.10953	0.7
142.07797	1.7
147.08032	2.0
147.11671	19.8
149.09590	2.5
157.10135	6.7
163.11095	1.0
165.12729	8.1
167.71051	0.8
175.11166	7.6
193.12209	15.1
211.13246	3.0
249.14801	2.5
249.18423	1.0
267.15878	100.0
268.16327	2.5
282.80771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2678
Annotation	(9Z,12Z)-Octadeca-9,12-dien-1-ol
Peak:m/z	Relative Intensity
53.03929	3.3
55.01855	3.9
55.05260	2.8
55.05503	36.4
57.03429	16.0
57.07064	37.0
59.04994	8.6
63.05504	1.4
65.03909	2.3
67.05495	46.5
67.45022	1.8
69.07059	84.6
71.04984	32.5
71.08627	22.0
71.38649	1.8
71.38976	3.0
72.40726	1.7
73.06580	1.7
79.05490	22.1
81.03407	64.7
81.07043	100.0
83.04955	6.0
83.08607	57.4
85.06525	4.7
85.10160	14.7
91.05477	22.0
93.07033	15.9
95.04956	16.8
95.08593	94.6
97.06528	4.2
97.10155	30.0
98.98479	1.5
99.08074	14.3
101.09607	2.0
105.07014	14.6
107.04926	4.8
107.08578	7.4
109.06493	3.6
109.10139	69.1
111.08049	5.2
111.11705	23.5
113.09647	2.9
117.07037	2.2
119.08558	13.6
121.06516	3.4
121.10107	10.6
123.08091	2.8
123.11690	54.7
125.13246	6.9
127.11158	6.0
129.06969	7.3
131.08517	6.5
133.10101	7.3
135.11667	3.2
137.09647	2.0
137.13237	40.1
139.14809	3.1
141.12723	3.9
142.07787	1.9
142.46440	1.7
143.14273	3.1
145.10100	2.7
147.08020	2.6
147.11650	9.9
149.09567	3.4
151.14844	10.1
154.26688	1.5
155.14217	2.7
157.10103	8.2
163.11156	1.7
165.12769	1.9
165.16356	6.8
171.11646	2.6
175.11172	8.7
179.17926	7.5
183.06389	1.5
193.12202	14.0
193.19505	8.1
197.04422	5.1
217.12297	2.2
231.17264	2.5
249.11151	1.8
249.14960	2.3
249.18517	9.3
249.25735	24.3
267.12936	2.8
267.15875	57.9
267.26794	96.6
268.16040	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	267.1586
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03923	2.3
55.01862	1.7
55.05502	9.3
57.03426	18.8
57.07051	2.0
61.66333	0.8
65.87029	0.7
67.05493	20.3
67.41170	0.7
67.64420	0.8
69.03403	2.9
69.07062	8.2
70.18600	3.6
71.04967	3.7
71.08597	1.9
74.25193	0.7
79.05479	14.8
81.03405	79.9
81.07042	33.6
83.04958	6.1
83.08607	14.3
85.02847	1.1
85.06518	2.2
88.37064	0.8
91.05464	20.8
93.07034	9.1
95.04957	17.3
95.08592	16.1
97.02851	1.9
97.06519	2.5
97.10131	2.5
97.87816	0.8
99.04449	0.8
99.08057	1.6
100.67310	0.8
105.03365	1.2
105.07014	18.8
107.04959	4.6
107.08555	5.8
109.06500	3.2
109.10142	4.4
111.04434	1.6
111.08046	6.1
111.11692	0.9
111.99634	0.7
115.05446	0.9
117.07042	1.7
119.04921	0.9
119.08560	14.4
121.06453	2.0
121.10136	8.5
123.08069	2.5
123.11686	8.5
125.09585	1.5
127.07539	0.9
128.81503	0.8
129.07007	6.7
131.08553	7.6
133.06467	2.1
133.10092	5.0
133.19409	0.8
135.11673	0.7
137.09570	1.3
137.13216	1.4
142.07759	1.6
145.10104	1.4
147.07999	2.5
147.11670	18.1
149.09584	4.0
151.11110	0.9
151.14864	0.7
157.06511	0.8
157.10120	7.7
163.11206	1.0
165.12726	6.6
175.11157	9.1
185.13168	0.8
193.10417	1.0
193.12204	19.0
194.35933	0.8
197.13345	1.3
205.12259	0.8
211.13223	2.8
231.21153	0.9
249.14856	1.4
249.18462	1.1
249.25627	1.0
267.15863	100.0
267.20822	3.6
267.26825	4.3
268.16086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03936	4.3
55.01870	2.3
55.05502	7.9
55.16455	0.7
57.03142	1.3
57.03429	22.1
67.05496	10.2
69.03413	2.1
69.07062	2.8
69.45246	7.3
71.04979	1.5
72.79589	0.8
79.05483	12.8
81.03407	100.0
81.07047	14.6
82.03750	0.8
83.04969	4.1
83.08608	14.9
91.05470	14.0
93.07032	9.6
95.04961	19.2
95.08587	8.3
97.02880	1.4
97.06512	1.4
97.10154	1.8
105.03387	0.8
105.07021	14.9
107.04919	4.5
107.08594	5.3
109.06483	3.7
109.10155	3.6
111.04452	1.0
111.08080	5.4
115.05437	1.5
116.39437	0.8
117.07001	1.6
119.08562	15.6
121.06505	2.4
121.10107	6.6
123.08054	2.2
123.11716	1.0
125.09597	0.9
129.06981	7.9
131.08549	6.7
133.06465	2.7
133.10118	6.2
135.11678	2.7
137.09593	1.3
139.07326	0.9
142.07808	1.6
145.10095	1.8
147.08037	3.2
147.11661	10.1
149.09607	3.8
153.09102	1.8
157.10126	6.8
163.11162	0.8
165.12772	1.9
175.11168	8.9
189.16336	11.1
193.12228	20.6
193.14014	1.1
202.62726	0.8
207.17404	2.2
211.13272	2.1
231.17450	0.9
249.14859	0.9
249.18518	10.2
267.15887	62.6
268.16165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1586
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.02366	0.6
53.03937	2.5
53.25455	0.5
55.01863	1.5
55.05505	8.8
57.03429	20.2
57.07079	2.7
61.02023	0.6
63.84031	0.6
64.32310	0.4
67.05495	12.8
69.03420	2.3
69.07060	6.5
69.38811	0.8
69.39212	4.8
71.04976	2.4
71.08619	1.8
79.05485	12.7
81.03407	100.0
81.06568	1.1
81.07044	19.3
81.07518	1.2
83.04974	5.7
83.08607	18.8
85.06538	1.3
85.10179	1.1
85.21229	0.5
91.05468	16.0
93.07024	6.3
95.04955	20.4
95.08589	10.2
97.02884	1.6
97.06534	1.8
97.10151	4.2
99.08076	0.7
105.07024	12.6
107.04945	5.1
107.08558	3.1
109.06503	3.2
109.10136	6.1
111.04417	1.4
111.08075	5.9
111.11700	1.4
115.05442	1.1
117.07031	0.7
119.04907	0.6
119.08567	10.4
121.06500	1.3
121.10123	5.6
123.04443	0.7
123.08064	1.7
123.11646	3.4
125.09692	0.8
125.13266	0.8
129.06993	9.6
131.08543	6.4
133.06520	2.8
133.07304	0.5
133.10121	4.6
135.08035	0.8
135.11639	0.8
137.09573	1.2
137.13260	1.5
142.07770	2.5
143.08603	0.5
145.10066	0.9
147.08031	2.5
147.11647	6.5
149.09576	3.4
157.10086	8.9
161.95287	0.6
161.96719	0.6
165.12762	2.1
175.11162	9.4
185.13159	0.6
193.12216	21.9
203.14386	0.7
211.13193	2.8
219.02724	0.6
219.13779	0.5
223.13216	0.6
237.14833	0.6
249.14772	1.1
249.18550	0.6
249.25771	1.1
267.15878	76.9
267.26846	1.3
268.16251	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.122
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
53.03938	1.1
55.05492	2.7
57.03415	2.9
67.05489	4.9
69.03404	3.6
69.07059	2.8
71.04975	2.1
71.62137	1.3
77.02343	0.9
79.05466	5.1
81.03407	9.9
81.07035	5.3
81.19445	0.9
83.04969	1.7
83.08575	2.2
85.02892	2.0
85.06512	2.4
91.05467	8.1
93.07017	4.9
95.04951	4.2
95.08579	3.7
97.02844	1.7
97.06528	3.0
99.04450	1.1
99.08107	0.9
103.05441	1.3
105.03370	16.7
105.07007	8.0
107.04943	2.7
107.08569	3.1
109.02847	4.7
109.06438	1.1
109.10123	1.8
111.08044	1.4
115.05433	3.9
116.06187	1.9
117.07000	2.7
119.08533	3.1
121.06442	1.4
121.10107	3.1
123.04403	2.3
123.11668	1.2
124.03940	1.4
127.03852	3.1
128.06195	5.7
129.06981	13.0
130.07741	1.2
131.08545	14.2
133.06459	2.2
133.10112	3.5
135.11749	1.4
137.09692	1.0
141.06929	4.9
142.07715	1.9
143.08540	3.1
144.05707	7.1
145.06467	4.6
146.07188	2.9
147.04294	1.4
147.08028	1.6
147.11632	2.3
149.09607	1.4
151.07635	1.2
153.06946	1.1
155.06073	1.5
157.06471	6.1
157.10138	1.6
158.07271	1.6
159.08031	21.2
159.11693	1.0
161.05940	1.9
161.09637	6.3
163.07536	1.4
163.11147	1.2
167.06937	1.4
169.07602	1.2
170.07208	4.2
171.08009	4.1
172.05173	2.4
173.05942	2.9
175.07555	2.7
175.11189	2.9
187.07515	15.3
189.05463	1.9
189.09093	6.5
191.07053	1.2
193.12157	2.1
199.07503	2.2
201.05598	1.4
203.07008	5.5
204.07797	8.3
205.08556	2.1
206.09348	1.0
216.07796	2.4
217.08517	1.4
219.10155	5.5
221.07828	1.3
221.11670	2.2
231.10059	4.7
237.11209	2.8
249.11185	100.0
250.11592	1.8
267.10150	2.3
267.15836	8.3
273.68005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80462	0.3
51.02374	0.4
53.03939	4.2
54.04255	0.4
55.01868	0.9
55.05492	0.7
57.03418	1.6
57.07060	0.8
59.04982	0.3
59.35805	0.4
61.02902	0.7
64.63705	0.4
67.05491	1.6
69.03070	0.5
69.03419	8.7
69.07054	0.7
69.47700	0.3
70.06579	0.5
71.04973	1.4
71.08604	0.4
71.62229	0.6
73.02896	0.6
77.03886	0.8
79.05480	8.2
81.03408	13.3
81.07039	1.5
82.03735	1.2
82.10180	0.3
83.04961	0.5
83.08616	0.3
85.02889	12.8
85.06503	0.6
91.05466	2.8
92.91389	0.3
93.07025	1.3
94.02972	0.3
95.04960	8.3
95.08591	2.1
97.02874	3.1
97.06522	0.6
99.04444	1.6
103.05399	0.4
105.03377	100.0
105.06984	1.6
106.03727	0.6
107.04945	0.9
107.08566	0.8
107.18811	0.3
109.02865	16.0
109.06503	0.6
109.10117	0.5
110.03198	6.7
111.04414	0.8
113.05948	0.4
115.05465	1.0
116.06247	0.5
116.93439	0.3
117.06997	0.7
119.08569	0.9
121.02855	0.3
121.06487	0.6
121.10101	0.5
123.04415	11.0
123.08060	0.8
124.03945	0.8
125.05894	0.3
127.03903	4.6
128.06218	1.0
129.06953	2.5
131.04898	0.5
131.08536	3.0
133.06474	1.4
133.08536	0.5
133.10138	0.7
135.04417	0.7
135.08080	0.4
135.11720	0.3
137.04594	1.9
137.05814	0.3
141.07028	1.1
141.09070	0.4
142.07779	0.5
143.08525	0.6
144.05666	1.2
145.06470	1.6
145.10106	0.5
146.03560	0.3
146.07266	0.4
147.04408	0.6
147.08012	0.8
147.11682	0.6
149.05992	0.4
149.09639	0.4
153.01784	0.6
153.05551	0.3
157.06474	1.6
157.10155	0.7
159.08026	3.7
160.05142	0.4
161.05983	1.5
161.09628	1.1
161.13257	0.5
165.05527	0.5
167.07021	0.8
169.07498	0.4
170.07281	0.6
171.08063	1.0
173.05991	1.9
175.07578	0.7
178.06229	1.6
179.03363	2.5
185.05943	0.5
187.07539	2.6
189.05447	0.7
189.09073	1.4
190.06219	0.7
191.06931	0.5
193.08609	1.4
193.12224	0.5
198.06770	0.4
203.07095	1.3
203.10654	0.6
203.14104	0.4
204.07822	1.3
205.08638	0.9
207.02864	3.2
219.10184	1.2
221.04330	0.5
221.11684	0.6
224.09267	0.4
231.06497	1.0
231.10104	0.9
237.11211	0.6
249.03955	2.4
249.07593	6.8
249.11234	14.0
249.15018	0.7
266.96811	0.3
267.05008	2.2
267.08542	2.3
267.12515	0.5
267.16208	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.2
51.02376	0.8
53.03938	3.8
55.01874	0.6
55.05490	0.4
56.98745	0.3
57.03426	1.6
61.02908	0.6
67.05482	1.1
67.79794	0.3
69.03418	7.7
69.07051	0.6
69.98541	0.2
71.04971	1.0
71.52613	0.2
71.61703	0.3
75.04501	0.2
77.03914	0.7
79.05476	7.6
80.65834	0.3
81.03404	10.1
81.07043	1.3
82.03741	0.7
83.04984	0.6
83.08599	0.5
85.02891	11.5
85.06531	0.3
87.04456	0.3
91.05450	1.3
92.94215	0.3
93.07020	0.8
95.04949	6.7
95.08583	1.3
97.02879	2.4
97.06506	0.5
99.04459	1.4
103.05453	0.4
105.03373	100.0
105.06996	1.2
106.03658	0.5
107.04951	0.9
107.08553	0.6
109.02111	0.5
109.02859	10.4
109.06488	0.5
109.10191	0.3
110.03178	1.8
111.04375	0.3
111.08044	0.3
113.05996	0.3
115.05388	0.3
119.08537	0.6
121.02834	1.0
121.06518	0.4
121.10149	0.5
123.04409	10.7
123.08066	0.5
123.66673	0.3
124.03933	1.3
127.03904	4.8
129.06993	0.6
131.04930	0.5
131.08521	0.5
133.06461	0.8
133.10094	0.5
135.08069	0.5
141.05495	0.3
144.05725	0.3
145.04976	0.4
145.06470	0.6
145.10138	0.4
146.03568	0.7
147.11673	0.4
153.01831	0.9
153.05441	0.3
157.10059	0.4
159.08020	0.9
161.05951	1.0
161.13312	0.3
162.08722	0.3
163.11110	0.4
167.06963	0.3
171.04413	0.3
173.05945	0.4
175.11185	0.3
178.06227	2.8
187.07521	1.1
189.05418	0.4
190.06248	0.4
191.06987	0.4
193.08612	1.2
193.12259	0.6
203.07014	0.8
221.04436	0.4
231.06471	0.5
231.10086	0.4
231.15154	0.3
249.07562	5.4
249.11183	1.1
249.14949	0.5
267.08386	1.9
267.10782	0.5
267.15826	1.6
268.08292	0.3
268.14145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.26931	0.2
55.05510	0.5
57.03438	0.5
59.04979	0.7
61.02915	1.2
62.85953	0.2
69.03415	0.8
69.41525	2.6
71.04980	2.1
75.55887	0.2
79.05502	1.6
81.03394	1.5
81.07047	3.3
85.02881	1.5
85.06549	0.3
86.09657	0.6
93.07014	0.3
94.04041	1.0
95.04949	0.7
97.02859	0.4
105.03381	10.0
105.07024	0.3
109.02869	3.0
115.05463	0.3
119.03516	1.9
121.02856	0.3
122.03215	0.4
123.04379	1.3
125.77648	0.3
127.03878	0.6
136.06169	100.0
137.04599	1.3
137.06592	0.4
150.07724	1.0
160.80588	0.3
161.06053	0.3
165.09102	0.2
167.39799	0.3
178.06232	0.6
199.19087	0.3
203.06966	0.4
204.13745	0.3
222.14818	0.5
234.13474	19.3
249.07462	1.0
266.16049	60.2
267.16293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64231	0.3
51.02367	0.8
52.57732	0.3
53.03940	3.8
54.41124	0.3
55.01857	0.6
55.05496	0.4
57.03439	1.7
59.04978	0.3
61.02915	0.5
67.05497	0.9
67.23252	0.3
69.03067	0.6
69.03420	7.5
69.07069	0.4
71.04986	1.6
71.61581	0.6
72.08144	0.5
73.02914	0.4
74.15990	0.3
77.03917	0.7
79.05486	7.6
81.03409	7.9
81.07031	1.6
85.02893	11.4
86.09695	7.9
88.47622	0.4
91.05475	1.3
93.07022	1.2
95.04955	6.8
95.08605	0.6
97.02869	2.7
97.06538	0.5
99.04438	1.1
99.08067	0.5
102.18787	0.3
105.03379	100.0
105.06995	1.8
106.03701	0.7
107.04951	0.6
107.08573	0.8
109.02869	6.4
109.06534	0.4
109.10120	0.4
110.03146	0.3
111.08126	0.4
113.05953	0.4
113.99241	0.3
115.05433	0.5
116.06218	0.5
117.07048	0.4
119.08584	0.6
119.60596	0.3
121.06538	0.5
121.10086	0.7
123.04415	11.8
123.08071	0.7
124.03954	0.8
125.09611	0.5
127.03896	4.6
128.06192	0.3
129.06978	1.2
131.08545	1.0
133.06465	1.0
133.10170	0.5
135.08069	0.8
136.06177	4.5
137.04625	3.0
137.06677	2.4
145.04924	0.8
145.06526	0.7
145.10135	0.6
147.11647	0.5
149.09595	0.5
157.06534	0.8
159.08032	1.0
161.05971	1.2
161.09610	0.7
165.12729	0.4
167.07037	1.2
171.04404	0.5
173.05978	1.0
175.07465	0.5
175.11290	0.5
178.06175	1.0
185.05983	0.4
187.07553	1.2
190.06267	0.6
193.08633	0.7
193.12183	0.7
203.07024	1.4
211.49724	0.3
231.06589	0.9
235.13811	1.4
249.07550	8.5
249.11038	1.7
249.14810	0.7
252.07687	0.4
267.08578	3.1
267.11621	0.4
267.16299	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	266.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14286	0.1
57.07100	0.1
71.04008	0.4
79.71706	0.1
82.99842	0.2
97.39533	0.1
101.00865	2.1
101.01478	0.2
119.01910	8.4
120.02045	0.2
134.99898	0.7
137.02940	2.5
140.98854	0.2
142.03467	0.3
153.00917	0.2
158.99863	0.9
165.99681	0.2
175.02997	0.2
177.00938	18.0
178.01003	0.6
182.99922	0.4
193.04010	0.2
195.01985	0.4
200.02377	0.2
201.00871	1.1
201.02478	0.2
217.04065	2.6
219.01984	22.8
219.94655	0.3
220.02095	2.1
221.02121	0.2
225.00774	2.0
234.00560	0.2
242.03586	0.6
243.01926	7.4
244.02083	0.2
248.06816	0.2
251.32639	0.1
260.04474	0.2
261.03036	100.0
262.03177	3.0
263.03329	0.4
266.03439	0.4
266.07956	0.3
283.26224	0.1
284.04672	3.9
285.04916	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1429
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
53.03933	3.0
55.05483	10.8
65.03903	8.1
67.05487	23.2
69.03411	28.5
69.07044	5.8
69.36999	25.6
71.04963	6.5
74.83422	2.5
76.84358	2.7
78.16075	2.7
79.05468	16.9
79.19770	2.6
81.03393	14.9
81.07019	12.6
83.04943	10.8
85.06519	2.8
91.05453	38.9
93.06563	2.8
93.07025	31.0
95.04440	3.5
95.04944	38.3
95.08566	18.3
97.02831	6.6
97.06480	9.1
98.21474	6.6
99.04393	6.3
105.07004	57.7
106.23022	2.5
107.04928	3.1
107.08553	16.9
109.02847	14.9
109.06499	28.8
109.10120	9.4
111.04424	25.2
111.08026	9.3
113.05939	11.1
115.05369	3.0
116.06215	3.5
117.06978	17.1
119.08555	66.9
120.08186	2.6
121.02847	30.0
121.06477	39.6
121.10046	10.3
123.08009	24.3
125.06022	2.9
125.17495	2.5
128.06187	5.3
129.06963	14.9
130.07771	6.6
131.08542	34.9
133.06439	7.1
133.10118	15.0
135.08022	71.0
137.09550	11.6
139.03828	12.5
139.07495	6.2
141.06941	12.8
142.07713	9.4
143.08505	14.7
144.09248	8.4
145.06473	13.4
145.10083	28.1
146.07224	4.1
147.06923	3.4
147.08014	41.4
147.11607	10.7
149.06039	3.2
149.09546	8.1
151.07501	4.4
153.06900	3.8
153.09041	6.8
155.08473	9.1
155.10596	3.5
156.09244	7.4
157.10110	20.9
158.07208	17.3
159.08025	31.2
159.10435	3.5
159.11671	38.7
160.08733	4.4
161.05948	3.0
161.09587	34.0
163.07420	3.8
165.09103	23.9
167.08369	4.1
168.09308	4.4
169.10104	4.8
171.07993	6.2
171.11554	4.7
172.08807	18.6
173.09573	14.2
173.13234	18.2
175.07512	64.3
175.09988	2.9
175.11157	31.1
177.30798	2.6
183.11583	10.3
185.09485	5.3
187.11150	32.3
188.08215	3.8
189.09120	13.8
189.12633	12.0
193.08585	20.2
196.08723	7.7
199.11116	11.8
201.12651	27.2
203.10612	48.6
205.12093	11.5
207.10077	3.3
211.11169	21.1
217.12164	29.7
219.13693	11.5
229.12172	29.6
235.13213	10.8
247.13184	59.6
265.06879	7.6
265.11243	8.8
265.14264	100.0
286.32532	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	265.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01846	1.9
55.05490	3.1
57.03404	0.7
57.07055	2.1
59.04969	1.0
65.38578	0.8
67.05499	4.8
69.03425	1.7
69.07058	6.6
69.30363	8.2
71.01339	1.0
71.04993	1.0
71.08596	0.7
79.05476	4.2
81.03386	2.1
81.07048	11.7
83.04980	1.8
83.08588	2.7
85.02837	1.0
85.06531	1.3
91.05470	4.5
93.07019	5.0
93.19744	0.6
95.04945	2.0
95.08601	9.8
96.70711	0.6
97.02840	0.8
97.06503	1.7
97.10148	2.0
99.04419	0.8
103.05460	1.8
105.07030	4.5
107.04914	1.1
107.08568	4.6
109.02853	2.6
109.06490	2.5
109.10152	5.5
111.08060	1.8
111.11703	1.1
115.05431	7.3
117.07002	6.8
119.08558	4.8
121.02851	2.8
121.06473	1.9
121.10126	4.0
123.08037	1.3
123.11655	3.8
125.09644	0.8
128.06204	5.3
129.06993	13.5
131.04913	5.2
131.08554	7.7
133.06496	1.5
133.10106	2.0
135.08017	2.9
135.11664	3.0
137.05940	2.6
137.13217	3.2
139.11107	1.2
141.06989	4.8
143.04866	2.0
143.08516	4.2
144.05684	8.3
145.06468	14.6
145.10052	2.6
146.07220	2.4
147.04387	1.4
147.07951	2.2
149.05949	0.9
149.09612	0.9
149.13220	1.4
151.07503	2.9
152.10594	0.8
153.09055	0.8
155.04910	13.0
155.06020	1.0
156.05635	1.9
157.06511	6.2
158.07245	4.3
159.04395	3.6
159.08046	7.2
160.05185	6.4
161.05933	3.0
161.09608	2.2
163.07509	2.9
165.12756	0.7
167.07005	1.0
169.06453	3.0
171.04369	1.0
171.07968	1.3
172.05164	11.8
172.08788	1.1
173.05965	15.2
174.05222	1.1
174.06746	23.2
175.07530	16.9
176.04630	2.2
177.05434	2.1
177.08977	1.5
177.16339	1.3
181.08618	0.9
183.04370	2.7
187.07518	66.7
187.14711	0.8
188.08263	13.1
189.05432	2.0
189.09082	17.7
190.02670	1.0
190.06204	2.9
191.03357	1.3
191.07039	5.2
191.08469	1.1
191.17885	1.0
193.08623	1.7
194.07251	1.8
197.05898	1.4
200.04535	1.2
201.05405	2.1
201.09053	2.2
201.12729	1.2
201.16325	1.0
203.06984	8.2
203.10521	1.0
204.04219	1.2
205.04919	6.6
205.06671	1.3
205.08583	9.2
205.12160	1.4
207.08205	1.0
209.08040	1.7
214.06221	1.5
215.07004	51.5
217.08571	4.3
218.09325	0.8
219.06441	11.4
219.10155	3.5
219.13759	1.0
219.17322	0.8
222.06685	1.9
229.08545	1.4
229.15784	1.1
230.89908	0.7
232.07191	2.5
233.08051	100.0
234.08334	1.7
234.10396	2.0
235.07492	3.1
235.09639	1.2
237.09026	1.2
247.09648	29.6
247.13322	2.4
247.16939	2.6
247.24066	2.0
249.08876	1.0
250.06094	1.1
250.09830	4.3
265.08350	4.0
265.10748	6.1
265.12299	3.0
265.14563	2.5
265.17737	3.7
265.22186	0.7
265.25220	5.6
265.27747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1065
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
55.01865	11.3
60.86064	1.9
67.05492	4.1
68.42382	1.5
69.03407	3.0
69.07051	3.3
69.90614	11.7
71.01345	10.5
79.05469	3.6
81.03407	2.9
81.07030	5.8
82.71168	1.7
83.08601	2.8
91.05478	15.8
91.79893	1.8
95.04951	2.1
95.08585	5.6
97.10110	2.1
103.05434	12.4
105.07018	11.1
107.04932	3.8
107.08548	2.2
109.02821	2.3
115.05435	22.2
116.06183	2.9
117.06991	24.7
119.04900	3.6
119.08556	3.2
121.02840	8.4
121.06477	4.1
124.07584	1.8
128.06187	5.4
129.07011	9.2
130.04118	2.7
131.04904	31.3
131.08559	16.4
133.06451	10.2
135.08029	5.2
137.05983	16.4
141.06976	35.8
143.04910	9.6
143.08545	3.5
144.05678	7.0
145.06459	31.4
147.04381	6.2
147.08022	6.3
148.05177	3.1
149.05951	5.4
151.07538	17.1
153.05443	3.3
153.06898	3.2
155.08501	2.3
157.06482	8.5
158.07239	6.8
159.04398	18.0
159.08037	25.0
160.05180	6.0
161.05937	14.3
162.06810	2.9
163.03848	3.1
163.07515	9.6
165.09148	2.1
167.06970	2.1
168.05585	2.0
169.06447	26.8
170.07352	2.8
171.04324	5.3
171.07935	2.9
173.05957	20.0
173.09634	7.7
175.07544	23.1
176.04669	13.4
177.05421	8.1
177.09058	7.5
179.06946	2.6
185.06004	4.0
186.06696	6.6
187.03922	3.4
187.07510	52.4
188.04651	2.3
189.05472	13.0
189.09024	3.9
190.06218	7.9
191.03363	10.4
191.07005	38.3
191.10661	4.8
192.07660	1.8
193.08603	16.6
197.05960	10.1
199.07561	3.3
201.09023	17.0
203.06969	21.7
204.04109	10.6
204.07761	4.1
205.08563	14.3
206.05699	8.0
209.08034	3.4
211.07510	4.2
214.06296	3.4
215.07005	43.1
217.05009	3.7
217.08487	8.8
219.06500	100.0
219.09834	18.4
221.08110	3.2
229.08560	11.3
232.07256	15.1
233.07985	14.2
237.09105	2.1
247.09631	48.8
247.16927	1.9
251.09053	2.4
265.08334	4.8
265.10699	64.7
265.17999	2.1
265.25146	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	265.1066
Annotation	Scytalol D
Peak:m/z	Relative Intensity
50.24302	1.4
53.03944	3.5
55.01869	8.1
55.05504	16.5
57.07053	6.5
58.11939	1.5
67.05491	17.0
69.03426	1.9
69.07057	25.8
70.74123	4.9
71.04966	4.1
71.08613	1.7
76.75166	1.7
79.05479	21.1
81.03407	20.1
81.07047	36.2
83.04955	4.6
83.08618	10.2
84.04489	1.6
85.06522	6.3
91.05465	15.1
93.07027	18.7
95.04929	5.7
95.08593	41.3
97.06512	5.3
97.10167	9.2
99.04442	1.8
99.08069	2.6
103.05447	6.0
105.07000	11.7
107.04941	29.4
107.08582	14.2
109.02869	2.6
109.06506	4.1
109.10134	19.8
111.04413	2.1
111.08053	3.7
111.11697	4.2
113.09611	2.0
115.05425	23.4
116.06223	4.6
117.06993	28.9
119.04919	1.6
119.08572	10.2
121.02860	3.6
121.06484	5.0
121.10108	14.9
123.04392	3.3
123.08040	5.9
123.11675	11.3
124.05195	4.7
125.05961	5.4
125.09651	2.6
127.05307	1.6
128.06201	5.5
129.06995	14.5
130.07800	2.1
131.04915	5.3
131.08559	19.9
132.05681	2.7
133.06442	3.8
133.10121	7.7
135.08041	4.9
135.11700	10.5
137.05965	1.9
137.13274	6.9
139.07471	1.9
139.11168	2.4
141.06964	12.7
143.04881	4.5
144.05687	17.7
145.06461	60.6
145.10089	5.5
147.04385	4.6
147.08026	6.0
147.11638	4.4
147.56755	1.5
149.05931	1.4
149.09621	4.2
149.13231	7.0
151.07428	1.6
151.14809	2.1
152.04703	2.1
153.12666	2.3
155.04897	3.7
155.06018	7.2
156.05627	10.0
157.06490	10.8
158.07256	7.4
159.04341	1.8
159.08037	23.5
159.11656	5.7
160.05173	2.8
161.05959	12.2
163.11156	3.1
163.14784	3.2
167.07018	66.9
169.06413	3.8
169.07660	2.3
171.04364	2.7
172.05190	5.8
173.05954	77.7
173.13229	2.8
175.03899	2.7
175.07524	12.8
177.05484	2.4
177.12657	2.6
177.16353	2.7
178.06197	2.3
181.04919	1.9
185.05885	2.1
186.06767	4.6
187.07513	35.6
187.14763	4.0
188.08252	1.8
189.09091	1.5
190.06226	44.0
191.06995	10.3
191.17944	2.6
192.07790	4.9
193.08563	8.0
194.07268	2.7
201.16359	4.0
202.06265	1.9
203.06984	17.4
204.07770	2.9
205.08569	100.0
205.19504	1.8
207.10153	4.4
209.13194	1.7
215.06973	12.3
217.08572	30.9
218.09357	16.6
218.75143	1.5
219.06552	2.8
219.10104	23.9
222.06786	1.8
223.09599	2.0
223.12959	1.4
229.08603	3.0
229.12108	1.7
229.15768	2.5
233.08070	6.3
235.09727	9.1
237.09018	1.7
237.11221	2.4
247.07083	2.6
247.09624	47.3
247.12251	2.4
247.13335	2.5
247.16829	8.0
247.20488	3.0
247.24200	7.3
250.06015	1.8
265.08334	6.8
265.10715	28.7
265.14368	4.7
265.17966	25.9
265.21588	5.3
265.25229	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	263.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
57.07067	47.0
59.11872	1.4
60.96624	1.4
67.05492	3.6
67.39489	1.5
69.07066	7.5
69.26893	18.0
69.48264	1.5
69.70783	1.6
71.08620	60.7
73.06536	2.7
74.91028	1.5
79.05452	1.6
81.07041	4.4
82.29816	1.5
83.08608	2.0
89.06016	100.0
91.05482	2.0
93.07040	3.3
94.06560	2.3
95.08578	4.7
98.21500	3.5
104.18402	1.5
105.07001	2.1
107.07058	5.7
107.08566	5.0
109.10135	3.8
113.13256	2.0
119.08598	3.0
121.06506	2.1
121.10149	4.3
130.08627	5.8
133.08572	19.2
133.10101	3.4
135.11726	2.0
147.11671	2.2
147.83185	1.6
151.09631	30.1
151.10756	2.7
157.10175	1.7
189.05441	3.0
203.27621	1.7
207.06497	6.2
245.15515	1.6
263.09177	2.2
263.12631	1.9
263.16693	1.4
263.17566	1.7
263.19778	7.8
263.25677	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2364
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03931	1.1
55.01856	1.2
55.05263	1.1
55.05502	16.1
55.94046	0.6
56.78233	0.8
57.03418	1.5
57.06815	1.0
57.07064	11.0
61.96987	0.8
65.03925	1.5
66.30605	0.7
67.05495	84.1
68.05808	0.8
69.06720	1.2
69.07062	16.3
70.78335	2.2
71.04967	1.9
71.08622	6.9
79.05480	21.8
81.07044	93.8
83.04952	2.3
83.08134	1.0
83.08603	13.3
85.06519	4.1
85.10168	3.5
91.05467	17.8
93.07028	21.5
95.04926	2.3
95.08590	90.1
97.06511	7.6
97.10152	6.6
99.08078	6.5
105.07018	10.7
107.08572	15.9
109.06479	1.2
109.10139	45.8
111.08054	4.3
111.11690	1.3
113.09619	2.7
119.08562	11.7
121.10125	17.6
123.08027	2.9
123.11688	19.8
125.05901	0.7
125.09616	1.7
125.13250	0.8
127.11176	2.1
131.08539	1.0
133.10115	14.9
135.11665	11.0
137.09557	2.4
137.13243	9.2
139.11116	0.7
141.12645	1.1
147.11662	10.8
149.13226	9.8
151.11179	1.1
151.14795	7.5
155.14299	2.5
161.13210	11.4
163.14801	7.3
165.12552	1.2
165.16364	10.4
167.14236	1.4
172.30344	0.7
174.80310	0.7
175.14772	8.8
177.16362	2.2
179.17929	4.5
181.15727	1.7
189.16347	4.2
203.17947	1.1
217.19476	1.8
219.21062	1.6
245.22621	39.7
246.23299	0.7
248.37178	0.7
263.09091	1.1
263.23663	100.0
264.24030	2.1
268.31555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01861	7.0
55.05502	26.4
57.03434	12.9
59.04984	5.3
61.02918	12.4
67.05498	18.0
69.03070	2.6
69.03424	31.8
69.07059	12.2
71.01337	4.2
71.04983	59.9
71.62343	3.4
73.02887	8.2
79.05486	18.4
81.03417	15.5
81.07048	32.5
83.04975	11.4
83.08613	15.2
85.02895	100.0
85.06530	5.2
87.04459	3.6
91.03929	4.0
91.05473	15.7
93.06464	2.8
93.07033	44.6
95.04956	19.5
95.08592	19.7
97.02888	20.5
97.06522	12.9
99.04463	10.3
99.08060	3.3
101.06009	6.3
103.03886	4.1
103.05476	3.4
105.07009	19.9
107.04940	4.5
107.08581	38.6
107.12608	2.0
109.02856	8.2
109.06514	11.0
109.10146	5.9
111.04404	3.8
111.08079	23.0
111.12444	1.7
113.05981	4.4
113.09638	5.8
115.03913	4.7
115.07533	2.3
117.07010	6.3
119.04914	1.9
119.08570	18.0
121.06483	14.3
121.10121	37.9
122.05921	1.7
123.04391	2.2
123.08081	11.2
123.11726	2.8
123.13934	2.1
124.07581	4.2
125.05980	2.0
125.09588	5.4
127.03905	23.3
127.07542	4.3
128.06258	2.2
129.05453	2.6
129.06998	4.6
129.09088	10.1
131.04926	3.2
131.08559	6.1
133.06490	4.1
133.10120	4.3
135.08040	15.3
135.11693	10.2
137.05960	2.5
137.09525	8.3
139.07536	21.3
139.11148	5.3
140.07036	3.9
141.09082	17.7
143.08600	2.4
145.04929	23.1
145.10117	13.7
147.08000	2.7
147.11676	4.0
149.09593	8.8
151.07544	10.0
153.01849	2.1
153.09084	9.3
155.10695	2.3
157.06425	3.1
157.10143	2.7
159.08055	3.5
161.09654	3.6
163.06006	3.2
163.11162	38.9
167.10652	9.9
169.08603	7.7
171.10143	4.0
171.83704	1.9
173.09673	2.0
175.07515	6.4
175.14772	2.1
179.10672	4.7
181.12219	46.8
183.10101	3.0
185.05885	2.4
185.11700	6.9
185.13206	2.8
187.07507	1.8
187.09550	2.1
189.09050	2.3
191.10674	21.3
195.06413	3.1
203.06921	3.1
203.14246	3.7
207.08160	2.1
209.11700	29.5
227.10545	2.1
227.12737	38.3
245.07979	3.5
245.13657	8.3
263.06781	3.5
263.09369	10.4
263.14297	2.6
263.16498	7.1
263.23779	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11035	1.6
58.52161	1.7
66.68193	1.5
69.98053	6.5
69.98464	3.0
82.99837	2.3
83.19175	1.5
85.70320	1.6
91.61304	1.6
97.02891	2.1
98.97528	1.5
101.00867	31.4
113.00834	7.5
115.02414	1.5
119.01908	65.7
121.91560	1.6
131.01895	28.4
133.03461	3.0
137.02942	6.5
143.01881	49.4
145.03462	4.5
149.02968	3.7
155.01895	10.7
157.03464	4.2
161.02939	100.0
162.03081	2.3
173.02939	29.7
179.03958	2.2
184.04572	2.6
185.02890	3.6
191.04013	13.0
197.02876	1.8
203.03986	39.9
221.03041	1.6
221.05086	4.7
233.05093	3.3
244.46065	1.4
263.06064	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78326	0.2
56.96551	1.7
57.03419	0.2
58.99849	0.4
69.03413	1.0
69.54640	1.6
70.99833	0.3
73.02869	0.2
74.24831	0.2
74.76659	0.2
77.00888	0.7
81.03400	0.5
82.99776	1.3
84.48363	0.2
85.02900	0.6
85.85245	0.2
86.99335	0.3
95.01939	0.2
97.02877	0.5
98.20740	0.4
98.97572	3.0
101.00864	16.8
103.02402	0.3
105.00355	0.7
109.02882	0.3
110.97580	0.4
111.04475	0.2
113.00827	1.6
115.02414	0.7
116.98615	2.4
119.01903	40.2
120.01929	0.3
123.52246	0.4
124.99094	0.4
127.00644	0.4
127.02451	0.3
128.98622	0.5
131.00891	0.4
131.01878	8.0
133.03485	1.0
134.99629	0.9
137.02922	6.0
139.02368	0.8
142.03474	0.6
143.00090	1.1
143.01875	32.9
144.01881	0.3
145.01633	0.3
145.02579	0.2
145.03462	2.3
146.03438	0.2
147.01309	0.3
147.05009	0.4
149.01881	0.3
149.02945	1.0
149.51976	0.4
152.01517	0.3
155.01869	3.5
157.03436	5.6
159.01389	0.8
161.02930	100.0
162.03072	1.1
163.04503	0.6
166.87437	0.3
167.00143	0.3
167.01921	0.5
169.03444	0.6
171.04942	0.4
172.52312	0.3
173.02946	8.6
175.04498	2.7
177.02403	0.7
179.03976	3.1
184.04543	2.6
185.01288	0.5
185.02950	2.5
187.04514	0.9
190.03206	0.4
190.53299	1.1
191.04108	4.4
196.04497	0.2
197.02988	0.3
199.53806	0.4
202.53273	0.5
203.03981	29.1
204.04211	0.3
205.05634	0.5
211.53757	0.5
212.03670	0.7
212.53712	0.4
214.05748	0.2
217.05440	0.3
221.03241	2.0
221.05074	5.3
223.06630	0.6
227.03978	0.2
233.05057	0.6
239.04187	2.3
239.06209	0.7
245.05060	1.0
254.05623	0.3
257.05365	0.3
263.06110	27.8
264.06418	0.4
281.05289	2.2
281.07407	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69722	8.4
51.90203	7.9
69.03324	8.5
69.70566	50.8
98.59775	9.4
101.00882	12.1
119.01884	28.5
131.01855	17.3
133.13399	10.0
137.02791	8.8
143.01836	40.3
155.01819	12.2
157.03470	8.7
158.44998	9.0
161.02965	78.4
173.02902	29.2
191.03969	11.7
201.05833	11.6
203.04013	21.6
205.88258	8.1
217.05605	8.9
245.05063	13.2
263.01651	100.0
263.06070	30.9
281.07422	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96498	5.6
57.03378	0.9
59.39133	0.6
69.03380	0.9
69.88233	1.2
69.88644	2.3
73.02869	1.4
81.03348	1.1
82.99808	1.8
83.04880	0.6
84.95932	1.2
85.02834	2.4
95.73422	0.6
97.02829	1.9
98.21460	0.9
98.97568	14.3
101.00868	12.6
110.97520	1.6
113.00808	2.9
116.97834	0.7
116.98612	10.7
119.01906	30.1
124.99091	1.8
127.00635	1.5
127.03860	0.9
128.98564	1.6
131.01891	17.1
133.03503	1.5
134.99658	4.2
137.02921	4.2
137.03877	0.5
142.03427	1.0
143.00232	3.2
143.01868	33.8
145.03374	1.4
146.99628	1.4
147.04948	0.8
149.02953	3.0
153.01711	0.7
155.01883	8.3
157.03461	2.3
160.06467	1.1
161.02936	100.0
162.03040	1.2
167.00310	0.9
167.01837	0.8
167.05411	0.7
173.01366	1.4
173.02931	28.7
175.04465	1.4
177.00691	1.6
177.04361	0.9
179.03960	3.1
184.04562	2.5
185.01276	2.5
185.02979	4.9
187.04610	0.6
189.56813	0.7
191.03976	19.6
191.07553	0.9
196.04442	0.9
197.02988	2.1
201.06158	0.7
203.02252	3.2
203.03969	20.2
214.05508	0.8
215.04057	1.9
217.71509	0.6
221.03358	7.4
221.05168	3.0
233.05130	1.7
239.04309	10.8
240.03656	0.9
245.05136	1.2
251.54352	0.8
257.05588	2.4
263.04129	2.0
263.06271	21.9
281.05350	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60336	1.1
68.96746	1.1
69.03423	2.3
69.56243	9.8
69.56577	1.6
73.02914	1.3
77.76269	1.1
81.43858	1.2
82.13164	1.1
82.99843	1.7
85.02879	2.6
97.02859	1.2
98.97590	2.0
101.00866	15.9
113.00868	3.7
116.98558	2.1
119.01897	34.7
127.54576	1.1
131.01898	19.7
133.03387	2.1
137.02936	3.8
143.01880	38.8
145.03476	3.2
147.05000	10.1
149.02957	3.5
155.01854	11.1
157.03410	3.1
160.06584	1.2
161.02934	100.0
162.03040	1.4
165.06119	2.5
167.01913	1.4
169.03481	1.3
170.06050	1.1
173.02933	35.0
173.06577	2.2
175.04474	1.3
179.03976	3.0
184.04503	2.1
185.01480	1.1
185.02946	5.1
189.06061	1.1
191.02252	0.9
191.03963	21.1
191.07559	1.5
191.60968	1.2
196.04465	1.2
200.07167	1.9
201.06049	8.9
203.03979	25.1
215.03981	2.1
217.09712	1.6
221.03140	1.6
221.05115	6.0
223.06587	1.2
233.04991	3.3
236.28838	1.2
239.06210	1.8
245.05058	10.0
263.01770	17.2
263.06027	33.5
281.05194	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1798
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
52.60329	0.3
53.78039	0.3
57.07061	1.1
69.85027	1.7
70.06576	2.6
71.08609	0.9
81.07025	0.4
84.08121	0.3
87.04455	27.2
88.07621	2.8
91.05468	0.4
105.52467	0.2
106.08626	0.4
113.92053	0.3
114.09148	1.2
118.06526	9.0
118.08672	0.5
119.07327	0.4
132.08081	3.4
132.10178	4.3
133.08852	1.6
134.09613	0.8
146.09587	2.8
147.10432	0.5
150.11232	4.3
161.59117	0.3
176.14322	65.9
177.14685	0.8
186.18602	0.3
218.21165	1.5
221.07193	0.3
232.13217	0.3
262.17981	100.0
262.23727	24.9
263.18362	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03925	1.4
55.05261	0.7
55.05499	8.7
57.03410	1.0
57.07064	3.1
64.19914	0.5
64.62715	0.5
65.03919	0.8
67.05493	28.0
69.07056	7.7
69.97905	2.3
71.04963	2.3
71.08616	1.0
79.05477	37.8
81.07042	35.3
83.04980	0.9
83.08601	4.5
85.06535	2.6
91.05464	17.2
93.07027	47.3
95.04947	3.2
95.08589	24.5
97.06518	2.4
97.10160	2.4
99.08061	2.5
105.04490	0.7
105.07010	11.5
107.08575	32.3
109.06472	2.0
109.10139	9.2
111.08034	1.5
113.09600	0.8
117.07002	5.1
119.08556	11.0
121.10123	28.9
123.08002	0.7
123.11675	3.2
125.09608	0.6
131.08531	9.5
133.10109	7.8
135.11665	23.5
135.12700	1.2
137.09570	1.1
137.13196	1.4
139.11185	0.5
145.10106	8.7
147.11661	7.0
149.09535	0.8
149.13237	18.2
151.11121	1.0
151.14890	0.8
153.12666	0.6
159.11685	7.7
161.13229	6.7
163.14796	11.9
165.12790	0.6
173.13222	9.2
175.14792	3.3
177.16380	3.7
179.14265	0.8
187.14793	5.0
189.16423	0.5
191.14334	0.9
201.16354	2.8
215.17914	1.9
217.19493	0.7
219.17401	1.1
233.22607	1.5
243.21045	23.9
261.22092	100.0
262.14288	0.7
262.22385	0.6
276.68762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.58220	0.3
53.03922	1.6
53.45510	0.3
53.94690	0.3
55.01849	0.5
55.05503	9.1
57.03416	0.8
57.07068	3.0
61.39391	0.3
65.03923	0.9
67.05495	27.9
68.05816	0.3
69.03441	0.4
69.07058	8.4
70.07378	0.4
70.13971	1.2
71.04996	1.8
71.08613	0.9
72.31631	0.2
73.06564	0.3
77.03454	0.3
77.03895	0.6
79.05481	37.0
81.07045	32.8
83.04964	0.8
83.08610	5.0
85.06532	2.9
87.77684	0.3
91.05469	17.1
92.05779	0.3
93.07030	50.0
95.04961	3.5
95.08593	24.9
96.08947	0.4
97.06527	2.4
97.10159	1.5
98.20776	0.3
99.08073	2.9
105.04518	0.9
105.07018	12.2
107.04976	0.4
107.08578	32.9
108.08908	0.5
109.06519	1.6
109.10138	10.8
111.08053	2.0
111.11700	0.4
113.09617	0.8
115.05445	0.3
117.06991	3.8
119.06048	0.4
119.08567	10.9
121.10127	32.1
122.10503	0.4
123.08047	1.0
123.11687	3.8
125.09608	0.8
127.11205	0.4
131.07562	0.6
131.08548	10.3
133.10118	10.8
134.54837	0.3
135.08142	0.4
135.11673	24.8
136.12003	0.5
137.09607	1.3
137.13223	1.0
139.11189	0.4
143.08543	0.4
145.10103	10.4
147.11678	8.4
149.09595	0.5
149.13237	20.2
151.11125	0.7
151.14850	0.5
153.12717	0.5
157.10110	0.3
159.11668	7.7
161.13234	8.6
162.13637	0.3
163.11163	0.3
163.14796	14.2
163.19136	0.3
164.15138	0.5
165.12732	1.3
173.13248	7.4
175.14809	2.9
177.12767	0.7
177.16353	4.4
179.08986	0.3
179.14282	1.4
187.14807	4.8
189.16441	0.7
191.14255	0.4
193.09822	0.3
193.15929	0.3
201.16362	1.7
203.18025	0.5
205.15854	0.7
215.17926	3.3
217.19499	0.6
219.17363	0.7
226.42911	0.3
233.22621	1.3
243.21054	24.4
244.21298	0.5
260.31326	0.3
261.22101	100.0
262.22403	2.1
284.30972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01862	0.7
55.05252	0.7
55.05500	8.3
55.11401	0.4
57.03428	0.8
57.07063	2.7
59.04985	0.4
64.76254	0.4
65.03941	1.0
67.05493	25.9
69.07057	10.3
69.07445	0.4
71.04990	2.1
71.08616	1.3
77.03929	1.1
79.05480	35.8
81.03429	0.4
81.07044	31.6
82.49625	0.4
83.04979	0.9
83.08605	4.8
85.06524	2.8
91.05466	17.3
93.07029	51.7
94.07355	0.4
95.04954	3.1
95.08592	24.9
97.06509	2.7
97.10163	1.7
98.20741	1.1
99.08080	2.4
103.05421	0.4
105.04538	0.6
105.07014	13.9
107.04939	0.6
107.08575	33.3
109.06501	1.5
109.10133	11.1
111.08071	2.1
113.09637	0.8
117.06992	5.5
119.08561	11.9
121.06554	0.4
121.10123	30.1
123.08063	1.1
123.11679	3.6
125.09605	1.2
129.06999	0.4
131.08540	11.3
133.10107	10.4
135.08032	0.7
135.11670	24.7
137.09570	1.1
137.13226	1.3
139.11156	0.4
145.10095	11.1
147.11670	9.1
147.12784	0.8
149.09589	0.5
149.13234	19.1
151.11165	1.0
151.14786	0.5
153.12743	0.8
157.10025	0.5
159.11659	8.6
160.46021	0.4
161.13225	7.6
163.11139	0.9
163.14798	15.3
164.31129	0.4
165.12718	0.9
170.92188	0.4
171.11696	1.0
173.13234	8.1
175.14818	3.4
177.12755	0.7
177.16374	4.3
178.80707	0.4
179.14218	0.6
187.14807	5.4
189.16368	0.7
193.15941	0.5
197.13307	0.6
201.16293	2.1
205.15833	0.7
215.14326	4.1
215.17865	4.2
217.19601	0.6
219.17345	0.9
233.22659	1.3
243.18369	0.7
243.21048	25.6
261.14828	2.7
261.22098	100.0
262.14359	0.5
262.22394	1.1
280.69833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2208
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02365	0.4
53.00292	0.3
53.03932	1.1
55.04739	0.3
55.05502	8.4
57.03418	1.2
57.07065	2.2
65.03919	1.2
67.05493	28.1
67.58582	0.3
69.03384	0.3
69.06711	0.6
69.07057	8.4
69.47147	0.6
69.47553	2.0
71.04990	2.0
71.08620	0.9
77.03913	0.5
79.05479	36.4
81.07042	33.6
81.07742	0.5
82.62432	0.3
83.04962	1.0
83.08599	5.7
85.06520	2.5
91.05463	17.9
93.07027	50.0
93.79070	0.3
95.04954	2.4
95.08588	25.0
97.06522	2.4
97.10162	1.9
99.08069	2.4
103.05486	0.6
105.04520	0.6
105.07012	12.9
107.08573	32.6
109.06503	1.1
109.10139	10.7
111.08064	1.8
113.09637	0.5
117.06995	4.7
119.08558	10.1
120.10586	0.4
121.10122	29.1
122.06391	0.3
123.08017	1.1
123.11681	3.8
125.09634	0.7
127.11166	0.6
129.06944	0.3
131.08533	9.7
133.09096	0.5
133.10107	8.8
135.08052	0.7
135.11665	25.5
137.09596	1.1
137.13228	1.1
139.11134	0.4
145.10095	10.4
147.11652	7.6
149.09592	0.8
149.13234	20.2
151.11185	0.7
151.14813	0.5
153.12744	0.8
158.34346	0.3
159.11664	7.4
161.13217	9.1
163.14790	16.2
165.12735	1.3
171.11638	0.4
173.13243	8.1
175.14752	2.9
177.12697	0.6
177.16354	3.8
179.14250	1.2
187.14784	5.1
189.16316	0.7
201.16364	2.3
205.15898	0.4
208.65816	0.3
215.17946	1.6
217.19496	0.4
219.17424	0.7
233.22542	1.3
243.21034	26.4
261.22092	100.0
262.22388	1.0
284.83798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1117
Annotation	Capillarol
Peak:m/z	Relative Intensity
55.05490	0.6
57.07047	0.7
57.07384	0.3
67.05478	0.7
69.07043	0.6
69.52971	2.9
74.13068	0.3
79.05469	0.7
80.80736	0.3
81.07016	1.0
91.05431	1.1
93.07014	0.8
95.08578	1.5
98.97004	0.3
99.70220	0.4
105.07003	1.0
107.08561	1.4
109.10137	1.3
109.45819	0.3
115.05415	2.3
116.06229	0.4
117.06982	0.5
119.08537	0.9
121.10096	0.9
123.11652	0.4
128.06212	2.7
129.06996	2.7
130.07773	1.9
131.04947	0.5
131.08562	3.6
133.10110	0.7
135.11662	0.9
140.06175	1.2
141.06993	3.9
142.07777	1.6
143.04868	1.3
143.08537	3.2
144.05681	1.5
145.06427	0.8
145.10065	0.6
147.11601	0.5
149.13206	0.8
151.07487	0.8
155.04906	1.3
156.05667	0.8
157.06458	18.2
157.10066	0.9
158.07251	13.7
158.86095	0.3
159.04480	0.3
159.08032	8.8
159.11682	0.4
160.05150	1.1
169.06403	0.8
169.07671	0.5
170.07225	3.9
171.04393	0.8
171.08020	4.7
172.05153	1.0
172.08768	1.3
173.05920	0.4
173.09599	2.0
175.07545	3.1
175.37834	0.4
183.04390	0.5
185.05963	3.9
185.09549	0.9
186.06729	12.5
186.10364	6.6
187.07510	12.4
189.05412	0.6
198.06708	2.3
199.03847	0.7
201.09070	100.0
202.09845	31.1
203.07079	2.1
203.10539	1.5
213.05460	0.5
214.06221	3.2
215.06874	0.5
215.17844	0.6
217.08545	0.4
217.12180	1.9
218.05760	0.7
219.10188	0.7
228.07729	1.5
229.08553	77.2
230.08958	2.4
231.06517	1.3
233.07961	1.7
233.11656	0.8
243.21075	0.7
246.08914	2.1
247.09517	0.4
261.11182	37.4
261.18491	1.3
261.22058	1.0
261.25955	2.2
262.11545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0305
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
50.78264	0.1
56.96575	0.2
63.02802	0.1
71.25793	0.3
82.99895	0.3
94.40701	0.1
98.97572	0.7
100.20443	0.1
101.00871	1.1
116.98614	0.8
119.01912	5.7
128.51408	0.1
134.83867	0.1
134.99722	0.5
137.02939	1.5
140.98788	0.2
153.00905	0.1
158.99820	0.6
161.02866	0.1
165.99725	0.2
177.00935	11.0
178.00981	0.3
179.00819	0.1
182.99940	0.4
186.46523	0.1
189.00755	0.1
189.02629	0.1
193.03964	0.2
195.01971	0.3
201.00862	1.0
217.04088	2.1
218.03568	0.2
219.01985	16.7
220.02094	1.0
221.01785	0.6
221.78026	0.1
225.00856	2.3
227.99625	0.2
237.98788	0.1
238.98325	0.1
242.03615	0.3
243.01961	7.9
244.02148	0.4
255.40263	0.1
260.04645	0.2
261.03030	100.0
262.03174	4.3
263.03424	0.4
266.03568	0.3
275.04587	0.2
279.00549	0.7
284.04626	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	259.2052
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05498	9.8
57.07053	4.3
60.62720	1.4
67.05503	11.0
68.76974	1.5
69.03397	2.2
69.07057	39.8
70.68782	3.3
70.69171	3.1
71.04980	27.1
79.05495	9.3
81.07040	21.5
83.04946	5.4
83.08595	9.4
85.06525	21.9
91.05473	11.1
93.07027	18.4
95.04949	5.2
95.08595	20.3
97.06496	6.9
97.10153	1.4
105.03369	4.6
105.07004	27.8
107.08571	23.9
109.06490	9.6
109.10147	13.2
111.08062	18.8
117.06979	6.1
119.08558	58.1
121.06458	2.0
121.10117	15.5
123.08050	1.9
123.11671	24.9
128.06233	2.1
129.06982	3.3
130.07747	2.6
131.08553	15.3
133.10103	38.9
135.08034	20.8
135.11670	5.8
137.09605	4.5
142.07750	3.1
143.08551	10.6
144.09283	3.6
145.10101	33.1
147.11667	21.5
149.09573	4.5
149.13234	3.1
153.78693	1.5
156.09317	4.7
157.10103	13.3
159.11664	29.2
160.12465	4.7
161.09540	2.9
161.13228	43.6
163.11084	2.5
163.14726	2.7
171.11650	19.7
173.13242	9.8
175.11154	3.7
175.14793	85.9
176.15535	5.7
177.12724	3.0
177.16365	4.4
181.06421	2.5
185.13193	12.9
189.12694	3.7
189.16351	9.3
190.13576	2.6
199.14798	6.3
201.16353	28.6
203.14262	10.2
213.16331	6.3
215.17934	5.7
217.19470	5.0
241.19464	17.0
259.11038	3.1
259.20517	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1689
Annotation	Phomallenic acid B
Peak:m/z	Relative Intensity
55.05485	2.1
63.82471	0.7
67.05486	2.1
69.03418	0.7
69.07050	3.6
71.62891	1.1
79.05495	5.1
81.07045	6.7
83.08588	1.9
91.05466	6.0
93.03276	0.6
93.06541	0.8
93.07038	8.4
95.04964	1.2
95.08592	5.1
105.03341	2.1
105.07017	9.7
107.04981	0.6
107.08578	8.5
109.10146	1.8
117.06987	2.9
119.07794	0.8
119.08568	10.7
121.06519	1.0
121.10106	2.4
128.06267	1.1
129.01828	1.5
129.07007	5.3
130.07809	1.1
131.08554	10.8
133.10092	6.1
137.08633	0.6
137.09653	0.7
142.07751	2.4
143.08551	16.1
145.10107	10.9
147.11685	1.7
151.07460	1.4
156.09290	1.0
157.10110	15.7
159.11693	3.1
169.10089	1.4
170.10886	0.9
171.08112	0.8
171.11667	22.4
173.13263	2.2
177.09070	3.8
183.11661	2.3
184.12495	0.8
185.13208	6.8
189.09091	2.3
189.12662	1.2
198.14040	1.5
203.10713	1.1
213.16357	100.0
214.16779	1.3
215.17934	0.9
217.12227	2.0
223.14853	1.5
231.17398	10.8
241.15836	3.8
241.19542	0.9
259.06186	0.8
259.16913	52.8
259.20432	2.8
259.28055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0598
Annotation	Pannorin
Peak:m/z	Relative Intensity
50.87303	0.4
55.05491	0.5
58.18837	0.5
68.99770	3.1
69.03407	1.1
69.07050	2.6
69.47803	1.3
69.48218	3.0
79.01835	0.8
79.05438	0.5
81.07058	0.5
85.02877	1.3
91.05490	0.8
97.02883	1.9
97.06538	0.5
98.18464	0.4
98.20715	0.5
99.04448	0.6
107.08537	0.7
115.05431	6.5
125.02344	1.0
127.03917	0.6
128.06189	1.1
129.06979	2.5
136.23212	0.5
139.05409	1.6
141.06970	33.5
142.07324	0.4
143.04898	0.9
145.06491	0.9
152.06165	0.7
153.01807	33.8
154.02092	0.6
155.04898	2.1
156.10243	0.6
157.05200	0.7
157.06480	9.1
161.05936	0.5
167.04924	1.3
168.05615	2.4
168.32553	0.5
169.06470	25.0
171.04401	2.5
181.06445	0.5
184.05211	1.6
185.05939	7.4
195.04396	1.0
197.05948	33.8
198.06227	1.0
199.03894	6.8
213.05438	40.2
214.05818	0.9
215.07014	10.4
221.90550	0.5
241.04912	23.1
242.05701	1.9
259.05981	100.0
260.06335	1.4
278.73428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01847	1.2
55.05484	1.0
56.05031	2.4
57.03439	2.8
58.99571	1.0
61.02906	0.4
65.03923	0.6
65.62218	0.3
67.05478	1.2
69.03420	14.3
69.07058	2.9
69.62432	2.6
70.06551	0.6
70.99567	0.4
71.04969	0.6
73.02902	1.2
74.02445	0.4
75.04458	0.5
78.04708	2.6
79.05482	2.7
81.03406	3.7
81.07042	1.7
82.04141	0.4
83.04967	1.4
84.04482	0.8
85.01119	1.5
85.02889	4.8
86.00623	1.3
86.03259	0.4
87.02670	0.6
87.04456	1.5
87.08105	0.4
91.05443	0.7
93.03387	0.6
93.06985	0.8
94.06548	0.5
95.01317	0.7
95.04944	3.6
95.08576	0.8
96.08122	1.0
97.02879	21.5
97.06501	1.6
98.09681	4.2
99.04450	1.1
100.07628	0.8
102.05506	1.5
105.03358	1.7
105.07001	0.9
106.04161	3.7
107.04945	2.0
107.08551	0.8
109.02863	3.8
109.06499	0.4
109.10113	0.6
110.03662	0.7
110.09670	0.5
111.04433	2.0
111.05537	0.6
112.03978	0.5
113.04192	2.2
114.05508	0.5
114.09160	6.8
115.03915	1.5
115.05340	0.5
115.07527	0.5
116.01654	1.5
119.08549	0.7
120.08161	0.6
121.02849	0.9
121.06476	1.6
122.09689	0.6
123.03552	0.7
123.04413	8.8
124.05196	2.4
125.02372	0.9
125.05976	0.5
127.03880	4.0
127.07541	3.2
128.07060	0.5
129.01826	0.5
129.05408	0.7
130.04887	0.4
130.06758	0.6
133.04950	0.7
134.03598	4.2
135.04387	1.1
137.02290	0.7
137.05940	1.2
138.03102	4.6
138.09081	0.5
139.03871	1.1
139.07486	0.5
139.11154	0.4
140.04662	8.2
141.05457	5.0
141.06990	1.6
143.02696	0.6
144.01073	0.6
145.04982	0.8
149.02278	0.5
151.03877	1.7
151.07495	1.4
152.04694	6.0
153.01826	1.2
153.05391	2.0
155.03366	1.5
155.07002	10.8
156.08423	2.7
156.10197	3.7
157.06421	0.6
162.02173	0.7
163.03851	0.8
165.05467	0.5
165.09103	0.7
167.07021	100.0
168.07332	1.3
169.04884	1.4
169.06352	0.8
170.05724	45.7
171.06313	0.6
173.08096	1.0
183.06523	2.8
185.08089	1.4
186.09119	1.2
187.07512	0.4
189.03217	0.6
193.04906	0.8
195.09129	0.9
197.05934	1.1
211.09601	0.6
213.05472	1.7
213.10397	0.4
214.14343	0.5
216.06819	1.2
223.06017	1.0
223.09491	0.4
231.06505	1.3
241.04936	0.8
241.07132	0.9
241.10590	1.3
242.08205	0.5
242.13853	1.4
259.05789	5.0
259.11124	12.5
259.16833	1.2
259.20499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0598
Annotation	Pannorin
Peak:m/z	Relative Intensity
67.05488	0.6
68.99783	3.0
69.03419	0.9
69.07048	0.6
71.04971	0.4
71.46146	0.8
79.01855	0.7
79.05455	0.8
81.07043	0.7
85.02876	0.5
91.05451	0.5
95.08575	1.0
97.02851	1.3
97.06503	0.4
98.09653	0.4
99.04445	0.4
101.05987	0.4
103.05419	0.5
107.04924	1.4
115.05437	6.6
119.08585	0.5
121.10096	0.6
125.02211	0.4
127.05398	0.4
128.06145	0.8
129.06966	2.8
139.05371	1.6
141.06966	32.6
143.03374	0.5
143.04831	1.0
145.06448	0.9
146.05956	0.5
152.06210	0.6
153.01805	29.0
153.06877	0.6
155.04871	1.7
157.06450	8.4
167.04959	0.8
168.05681	2.5
169.06458	23.9
171.04367	3.2
184.05115	2.2
185.05952	7.2
195.04349	1.0
197.05951	33.2
199.03871	6.5
213.05443	36.8
214.05740	0.6
215.05013	0.7
215.06990	8.4
217.04884	0.5
223.03789	0.7
231.06459	0.8
241.04915	21.5
242.05556	1.6
258.05194	0.6
259.05975	100.0
260.06332	1.8
269.91138	0.4
283.20309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01854	2.2
55.05496	1.5
55.68320	0.7
57.03428	7.1
57.07061	0.9
59.33464	0.6
67.05494	3.4
68.99772	0.7
69.03419	11.3
69.03764	1.2
69.07047	1.9
69.61855	3.8
71.04987	4.4
71.11600	0.6
75.04463	3.0
78.26822	0.6
79.05474	4.6
81.03403	7.6
81.07047	3.5
82.06555	1.0
83.04958	1.8
85.02890	6.6
85.06519	2.0
91.05448	2.4
93.07019	2.6
94.04166	1.1
95.01311	11.2
95.04931	3.1
95.08610	3.6
97.02864	2.5
97.06498	1.2
99.04457	3.0
101.05985	0.9
103.05446	3.2
105.03355	1.0
105.07014	31.2
107.04924	3.5
107.08551	1.7
109.02876	5.1
109.06491	1.5
109.10127	1.0
111.07975	0.7
113.02350	11.3
113.05982	5.5
115.05446	0.7
117.06948	1.3
119.08569	2.6
121.02848	1.2
121.06452	1.2
121.10112	1.1
122.03660	3.2
123.04344	1.1
123.08036	1.8
124.05213	1.0
125.09676	0.6
126.55244	0.6
127.03899	4.7
131.04878	1.7
131.07040	0.8
131.08516	0.9
133.06470	52.2
133.10118	2.0
134.05992	1.1
134.06886	0.8
135.08015	1.2
135.11705	1.0
137.05952	100.0
139.07513	0.8
141.06935	1.7
145.04907	0.9
145.10046	1.2
146.30258	0.7
147.08005	1.4
149.05928	1.1
150.06699	0.7
151.07527	0.9
152.07062	1.5
155.07100	0.6
155.08482	1.1
155.10684	0.6
159.11473	0.6
161.13295	0.8
163.07544	3.8
165.09084	25.9
169.06424	0.6
175.07491	3.2
175.11136	0.9
175.87706	0.6
177.09056	2.2
179.10634	0.7
181.08583	2.3
183.10136	6.8
183.11583	0.8
185.77852	0.6
186.06779	0.7
187.06046	0.6
203.10619	2.3
209.11723	1.5
211.08777	1.4
221.11726	2.3
221.15175	0.8
227.11804	0.8
228.12538	1.1
229.04921	1.9
239.08199	3.5
239.12756	2.0
239.16359	1.4
242.05736	0.8
257.04443	6.8
257.08466	4.1
257.08896	4.0
257.11749	1.2
257.13519	1.9
257.16592	3.0
257.19180	1.0
257.26694	1.0
272.22522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01879	1.7
55.05528	0.5
57.03428	6.2
62.85138	0.3
67.05501	1.0
67.09100	0.4
69.03434	1.5
71.05003	1.2
71.35912	0.7
74.58573	0.4
75.04462	3.1
79.05478	4.2
79.05813	0.4
81.03420	0.8
81.07061	1.2
85.02908	1.3
85.06528	0.4
91.05463	1.8
93.07050	0.5
94.04195	0.6
95.01340	1.6
95.04971	1.2
99.04437	0.5
103.05466	2.6
104.14462	0.4
105.07018	30.7
107.04945	3.3
109.02866	1.0
109.06496	0.8
109.10207	0.4
113.02341	1.1
113.06013	0.7
115.05448	1.1
117.06986	0.8
119.08573	0.6
121.06533	0.8
121.10175	0.4
122.03637	3.2
124.05190	1.0
127.03931	0.7
127.04943	0.4
128.06192	0.6
131.04912	0.7
133.06474	54.6
135.04427	0.7
135.08023	0.8
136.05209	0.5
137.05957	100.0
138.06339	1.2
140.46725	0.4
145.06413	0.5
147.08031	0.6
149.05971	0.5
150.06767	0.9
151.07539	0.7
151.65231	0.4
151.76405	0.5
152.07007	0.4
153.01692	0.4
159.08098	0.6
162.06706	0.4
163.07495	4.0
165.09094	28.0
175.07498	3.8
177.09076	1.1
181.08620	2.5
182.09399	0.5
183.10146	8.0
188.25270	0.4
193.08449	0.6
203.10609	1.6
209.11690	1.1
213.10185	0.6
215.09399	0.4
221.11697	2.1
227.11650	0.5
228.12595	2.1
234.98772	0.5
239.12611	1.2
242.14099	0.9
257.04431	0.6
257.07983	0.8
257.13809	0.8
257.16464	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	257.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
57.03427	7.4
69.03413	1.0
69.70348	3.2
71.04984	0.5
75.04470	4.1
79.05505	2.4
81.03411	0.5
85.02917	0.8
91.05468	0.9
95.01312	1.2
103.05457	2.0
105.07017	28.3
107.04944	3.4
109.06474	0.7
113.02356	1.4
115.05411	0.9
117.07018	0.6
122.03619	3.4
123.04424	0.6
127.03817	0.7
133.06476	53.2
134.06821	0.5
135.04454	0.6
135.07986	0.9
136.05220	0.5
137.05959	100.0
138.06284	0.9
151.07564	0.7
161.09647	0.6
163.07512	4.5
165.09093	26.9
175.07518	4.4
175.11119	0.8
177.09175	0.7
181.08612	2.3
182.09381	0.6
183.10143	8.7
192.67125	0.4
196.70398	0.4
203.10641	2.3
209.11719	0.8
216.73320	0.6
221.11740	2.3
225.47513	0.4
239.12785	1.4
242.14491	0.5
247.42783	0.4
257.13736	1.7
262.71222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84935	0.9
52.22392	1.0
55.01866	11.1
55.05495	2.1
57.03138	1.7
57.03426	29.6
58.03746	1.2
58.99852	5.8
59.04987	8.4
61.02924	7.7
69.03415	14.2
70.42799	3.9
71.01334	4.4
71.04987	6.2
73.02910	15.9
75.04459	1.5
77.00893	2.4
81.03406	5.5
81.55600	1.1
82.01434	3.0
83.01293	2.1
83.04949	3.0
85.02892	31.3
87.00810	1.1
87.04455	11.9
89.02396	5.7
89.26131	0.9
91.03895	1.7
94.02668	1.2
95.01321	1.8
97.01369	2.7
97.02282	1.0
97.02876	17.0
98.21051	1.7
99.02937	1.7
99.04437	4.0
100.02466	14.3
101.00892	5.7
101.02367	24.2
103.02412	2.7
103.03902	3.3
109.02845	2.8
111.00775	1.4
111.02919	2.2
111.04409	1.5
112.02538	1.1
113.02372	2.7
115.02435	18.2
115.03902	30.5
117.03193	1.7
117.03977	21.3
118.03505	6.7
119.01904	25.0
119.03330	2.4
120.01994	1.5
121.03468	2.8
124.03934	23.5
124.53845	1.0
127.02363	3.3
127.03903	9.3
128.03928	1.2
129.01823	33.8
129.05460	1.8
130.03700	1.2
131.01898	6.7
131.03374	1.5
132.03429	1.8
133.03448	14.2
133.04939	8.0
135.05013	19.6
137.02927	7.5
139.04253	1.0
140.05559	8.2
141.01797	1.6
142.03479	2.2
143.01877	8.4
143.03369	18.4
145.03427	17.3
145.04950	7.9
147.01424	1.5
147.02844	2.9
147.03908	1.2
147.05011	3.4
149.02919	1.5
152.07076	1.7
153.03920	1.6
153.05742	4.5
155.01878	2.4
156.05084	1.3
157.01308	26.7
157.03339	5.9
158.06630	9.7
159.02748	1.0
159.04982	1.1
160.04674	2.3
161.02939	14.6
161.04414	32.1
161.05562	7.0
162.06288	1.9
163.00879	1.1
163.04488	8.0
163.05910	1.8
165.02425	1.2
166.03415	2.5
166.04712	3.6
167.01810	1.7
167.05518	1.2
168.05034	9.7
168.06369	1.4
169.03471	5.2
169.05246	3.5
170.02985	1.8
170.06062	4.0
171.01360	9.1
171.02881	13.7
171.04346	1.3
171.04988	2.1
173.02948	4.3
173.04419	1.2
175.02422	1.6
175.05370	11.1
175.55321	1.8
176.06099	1.5
177.02464	1.3
177.06084	1.1
178.06125	1.1
179.03859	1.7
183.05019	3.7
184.04425	15.3
184.05984	6.6
184.55794	1.3
185.02888	3.7
185.06561	1.4
186.02934	1.1
186.06107	3.2
187.00856	3.5
187.04449	4.6
189.02386	14.6
189.03909	100.0
191.06639	1.3
192.05492	1.1
194.02866	2.3
197.02875	1.5
199.04501	2.2
203.03908	2.0
203.05501	26.9
204.04173	1.3
205.01901	2.4
207.03450	9.6
207.05046	1.7
210.02464	6.9
212.04005	13.4
214.02014	1.4
215.00224	4.9
221.06621	12.4
223.06560	1.2
224.07597	2.7
227.04089	1.6
228.03416	1.7
229.05560	2.9
230.05043	8.5
231.07103	1.4
233.01381	24.7
233.05132	1.8
238.01970	2.7
245.05006	3.5
246.04634	1.1
247.06647	5.7
248.06697	0.9
251.02463	51.3
252.02519	2.7
256.02991	49.4
256.09464	1.5
256.26239	2.0
257.02942	2.3
259.06516	1.5
265.07626	2.7
274.04047	31.6
275.04233	2.0
277.07617	2.2
279.04471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01860	5.5
55.05500	3.1
56.96560	14.1
57.03431	12.9
57.07075	2.5
58.99859	10.8
59.05001	3.4
61.02914	9.9
64.61922	1.2
65.20773	1.1
67.05485	1.8
68.05034	1.2
69.03421	18.9
69.07046	3.6
69.74757	2.8
69.75172	5.2
70.46219	1.1
71.01333	1.7
71.04974	5.2
72.08139	1.2
73.02904	10.9
73.06518	1.6
77.00896	7.0
79.05463	1.8
80.92041	1.1
81.03399	8.0
81.07051	2.6
82.01447	3.9
82.06595	1.4
82.99862	1.8
83.04955	4.6
83.08646	1.3
84.04500	1.8
84.08140	2.4
84.96000	1.4
85.02895	34.7
85.06548	2.0
87.04427	6.0
88.07621	1.4
89.02400	1.3
91.03959	2.2
93.07007	1.5
93.25838	1.3
95.01920	2.9
95.04935	2.2
96.04501	2.4
97.02891	27.6
97.06513	1.2
98.03204	1.3
98.06051	1.4
98.97567	15.1
99.02954	4.0
99.04468	4.8
100.02476	26.2
101.00862	18.4
101.02352	5.8
102.02404	1.6
103.02441	6.8
105.00312	1.7
107.04933	2.0
108.04264	1.4
109.02868	6.7
110.06023	2.4
110.07145	5.0
111.04429	4.5
113.00880	2.5
113.02421	1.4
115.02425	13.4
115.03881	7.9
116.98621	12.6
117.03986	42.2
117.04820	2.1
118.03472	14.0
119.01905	100.0
120.02001	3.9
121.01601	2.4
121.02781	6.8
121.03503	3.2
123.05502	1.9
124.03933	3.5
126.05502	1.5
127.02395	5.1
127.03899	10.5
128.98589	2.6
129.01828	5.3
129.03947	1.7
129.05467	2.9
130.03592	2.0
131.01901	11.4
133.03458	15.9
133.04997	2.3
134.05997	1.8
134.99635	11.9
135.05032	46.4
137.02946	31.3
137.05948	4.0
140.05566	18.8
142.03488	4.9
142.08656	2.9
143.01881	31.9
143.03357	4.4
144.99741	2.5
145.01683	2.1
145.03448	36.9
145.04932	7.1
146.03543	1.4
146.99603	2.7
147.01358	5.3
147.03058	2.2
147.05032	1.6
148.04805	1.3
149.06674	1.7
152.06999	3.0
153.00706	1.7
153.01822	18.0
153.05713	7.7
153.55885	1.5
154.03496	1.9
155.01875	3.6
157.01318	4.0
157.03433	7.9
158.06612	22.8
159.01326	1.6
159.05009	3.8
160.04509	3.3
160.06543	2.8
161.02945	89.6
161.04384	4.1
161.06564	10.5
162.03105	2.8
162.06319	12.3
162.56361	3.5
163.00864	1.8
163.02682	1.5
163.02995	1.6
163.04524	18.0
163.05972	1.8
166.03490	7.1
166.04765	4.3
166.08549	1.3
166.54965	1.5
167.05562	1.5
168.05048	21.4
169.03419	12.5
170.02963	4.0
170.05148	2.4
171.01382	10.9
171.02922	3.1
171.05032	2.0
172.04559	15.7
172.95253	1.7
173.03012	6.4
173.06578	1.5
173.57054	2.2
174.03087	2.0
174.04536	2.9
174.06184	3.5
175.02792	2.3
175.04478	7.9
175.05264	6.6
175.55370	3.0
177.00836	1.3
177.04225	2.4
179.04004	3.6
179.07614	4.6
181.03490	5.2
183.04866	1.6
184.04498	43.3
185.02959	4.1
185.04689	1.8
185.06558	2.7
186.06113	10.0
187.00893	4.7
187.02827	1.9
187.04472	13.9
188.04153	1.5
188.07698	1.7
189.02411	20.3
189.03954	18.3
189.05904	2.0
190.05582	37.0
190.98589	4.5
191.02153	2.5
191.03891	1.4
191.05577	1.6
194.03035	4.5
196.01132	2.2
196.04417	5.9
197.02911	1.3
197.04449	16.6
197.06406	1.9
198.06172	2.3
199.04387	1.6
202.05643	3.8
203.03955	2.8
203.05571	6.5
203.07629	4.1
204.07262	1.7
205.01906	3.0
205.05600	1.4
206.83229	1.3
207.03433	13.6
207.05045	1.7
208.99599	2.2
210.02153	12.7
210.04033	4.0
210.05867	2.6
210.15973	1.8
211.02551	1.4
212.03970	16.2
213.04141	1.4
214.02110	2.0
214.03743	2.6
214.05615	32.0
215.00323	4.2
215.03970	4.2
215.07674	5.0
219.01811	3.0
221.04924	2.5
228.03305	2.1
228.05215	1.7
229.05582	3.1
230.05101	10.2
232.06657	41.8
232.99438	2.5
233.01485	20.5
233.05083	16.1
233.08672	3.7
233.10600	2.6
237.02888	1.4
238.02097	2.6
244.04976	1.9
245.05128	3.9
247.06738	5.7
251.02469	48.0
251.06303	1.9
252.02484	1.8
255.57854	2.6
256.03006	42.3
256.06693	76.4
256.11951	9.5
256.16138	3.9
256.26367	6.9
257.02936	2.4
257.05112	2.4
259.06567	2.1
261.08215	2.1
265.07797	1.3
271.06702	1.4
274.04050	28.0
274.07620	5.7
274.97507	8.9
275.01816	2.0
277.07703	1.5
279.04465	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1587
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03941	3.1
54.09647	2.0
55.01832	3.4
55.05506	19.6
57.03184	3.2
57.03431	37.9
57.07055	4.6
62.63551	1.7
67.05170	4.1
67.05495	58.9
69.07062	16.2
71.01327	7.0
71.04987	5.4
71.07957	5.6
71.08615	3.6
72.83340	1.8
74.23137	1.9
78.25344	2.2
79.05482	50.5
81.03381	4.9
81.07046	25.9
83.04968	15.8
83.08615	5.9
85.06522	6.0
91.05472	21.7
93.06463	3.8
93.07030	58.1
95.04932	5.6
95.08591	11.5
97.06516	18.1
97.10131	14.7
98.36124	1.8
98.98450	9.3
105.07011	5.2
107.04903	3.0
107.08591	40.7
109.10129	7.6
111.08054	2.7
117.06992	6.2
119.08555	6.9
121.06515	3.2
121.10122	11.8
125.09625	4.1
129.72246	2.1
133.10100	3.9
135.11682	100.0
144.97935	2.3
145.10106	13.2
153.12686	4.7
163.11203	12.9
163.62451	1.8
181.12216	20.4
185.13168	2.1
199.13278	3.7
255.15863	69.2
255.21062	7.3
256.26300	3.1
256.29483	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.03
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85504	1.0
55.01863	6.9
55.05500	1.3
56.96558	1.0
57.03433	22.3
58.99858	7.9
59.04982	3.5
61.02913	7.1
69.03420	11.1
69.36897	10.3
71.01337	2.4
71.04988	5.0
73.02908	11.1
75.04461	1.4
77.00889	6.0
80.04944	1.0
81.03407	5.0
82.01427	6.8
83.04964	3.5
84.04496	1.1
85.01383	1.2
85.02895	26.4
87.00835	1.1
87.04460	7.3
89.00903	1.0
89.02374	2.7
94.02622	1.7
95.01318	1.1
97.01383	3.1
97.02881	14.7
99.02949	4.1
99.04428	2.4
100.02469	25.4
101.00873	6.3
101.02357	11.4
103.02448	5.1
103.03893	1.5
109.02846	2.9
110.03947	1.3
111.02922	2.0
111.04480	1.9
113.00838	1.8
113.02391	1.9
114.05500	1.0
114.19996	1.1
115.02432	36.0
115.03893	17.0
117.03979	32.6
118.03498	11.9
119.01915	39.0
119.03347	2.1
120.02008	2.2
121.03488	3.0
123.84618	1.2
124.03936	20.7
125.00829	1.5
126.02308	1.2
127.02412	5.1
127.03905	8.1
129.01830	17.7
129.05446	1.7
131.01897	9.8
132.02000	1.4
132.03441	2.0
133.03455	29.5
133.04951	3.4
135.03967	2.1
135.05011	31.4
137.02917	12.4
139.02417	1.0
140.05556	12.7
141.01779	1.4
142.03503	2.4
143.01901	14.5
143.03368	8.9
144.03532	1.1
144.99812	1.9
145.03432	27.1
145.04932	4.6
145.99852	1.4
147.01370	4.1
147.02858	1.6
147.04993	1.8
149.02914	1.5
150.03996	1.7
153.03935	2.5
153.05717	2.2
154.03447	2.3
154.04723	1.2
155.01865	3.2
156.05104	1.2
157.01321	12.7
157.03377	6.5
158.06630	13.5
159.01353	1.8
160.04703	4.1
161.02936	25.2
161.04422	17.6
161.05513	2.4
161.55644	1.0
162.03125	1.0
163.04498	13.3
165.02451	1.7
166.03455	3.5
166.04782	2.8
167.01866	1.6
168.05064	14.6
169.03410	5.3
169.05164	0.9
170.02962	2.5
170.06003	3.3
171.01363	16.8
171.02881	6.8
172.99364	1.5
173.02913	5.5
174.04485	2.2
174.06412	1.5
174.54716	1.3
175.02339	1.7
175.05200	10.9
175.55385	1.7
176.06100	1.0
177.02405	3.0
179.03993	2.2
183.05002	1.7
184.04460	25.3
184.06073	7.0
184.55782	1.3
185.03024	5.3
185.04424	1.1
186.06139	3.8
187.00966	5.9
187.02528	1.2
187.04472	6.9
188.04137	1.2
189.02399	27.0
189.03934	43.4
189.99200	1.2
191.00291	1.2
191.06660	1.5
192.01395	1.1
194.02945	3.7
196.07132	2.1
196.99290	1.6
201.06097	1.1
203.03897	2.3
203.05489	12.9
205.01949	4.3
205.05562	1.2
207.03459	19.3
207.05292	1.7
210.02461	9.2
211.04520	1.2
212.03993	25.9
215.00331	9.1
215.02074	1.6
215.03987	1.3
221.04758	2.0
221.06720	5.3
223.06474	1.5
224.07559	1.7
227.04033	1.6
228.03593	3.2
229.02007	1.3
229.05531	3.9
230.05077	14.7
233.01401	41.5
233.05026	2.4
234.01607	1.5
238.02022	3.4
244.05328	1.4
245.05038	4.4
246.05226	1.1
247.06647	7.1
251.02466	100.0
252.02728	2.2
253.02888	1.5
256.03000	87.3
256.09061	3.0
256.26285	2.2
257.02884	1.4
257.05215	1.2
265.07675	4.3
274.04047	56.2
279.04660	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1586
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03918	3.5
55.01842	3.5
55.05259	1.4
55.05503	25.4
57.03428	43.8
57.07064	8.1
67.05493	64.3
69.03417	1.7
69.07056	25.2
71.01346	6.0
71.04977	7.2
71.08602	2.5
71.62572	1.5
79.05479	59.4
81.03407	7.6
81.06578	2.1
81.07041	33.9
83.04967	19.5
83.08620	8.6
85.06521	6.5
85.10175	1.5
91.05471	21.1
91.85411	1.1
93.07028	69.8
95.04946	6.7
95.08590	15.2
97.06517	18.9
97.10155	21.6
98.98450	11.7
99.04391	1.5
99.08040	4.5
105.07037	5.6
107.04916	2.2
107.08575	45.0
109.06501	2.6
109.10133	11.6
111.08039	5.0
111.11659	2.6
113.05960	1.2
117.06969	8.5
119.08562	10.1
121.06447	2.4
121.10120	14.3
123.11647	1.6
125.09592	3.7
130.07764	1.7
133.10092	7.5
135.08038	1.6
135.11673	100.0
137.09496	2.1
139.11169	1.5
143.08498	1.4
145.10100	16.0
149.13254	1.8
153.12708	6.2
157.10081	2.1
159.11601	2.1
163.11143	13.5
166.07788	1.4
171.11705	1.6
176.98856	1.4
181.12193	26.5
183.11710	1.7
185.13141	1.4
199.13219	2.6
219.13589	1.1
219.21080	2.0
237.22049	2.3
242.02229	1.0
253.33736	1.1
255.10048	2.3
255.15813	70.8
255.20840	6.9
255.23196	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30416	0.7
53.03931	2.0
55.01861	1.3
55.05490	2.9
56.96550	0.8
57.03434	4.8
57.07056	2.7
59.04989	1.0
65.03931	0.9
66.09658	0.6
67.05482	2.1
69.03405	1.4
69.07061	3.7
71.04976	1.7
71.08600	2.4
71.60970	1.1
73.06538	0.8
75.04450	1.3
78.27571	0.7
79.05460	2.7
81.03407	2.3
81.07068	4.1
83.04963	1.9
83.08595	2.4
85.02890	4.2
85.10167	1.6
89.67489	0.7
91.05470	13.0
93.06538	0.9
93.07034	10.7
93.72188	0.6
95.04952	4.4
95.08602	2.4
97.02811	0.6
97.06506	2.7
97.10150	2.2
98.98450	10.0
99.04443	1.0
101.06008	0.8
103.05451	7.6
105.07000	1.8
107.04906	1.3
107.08563	1.8
109.02847	2.9
109.06501	0.9
109.10142	1.9
111.08057	1.3
111.11685	0.7
115.05428	0.8
119.04923	2.0
121.02841	2.6
121.06492	14.6
121.10135	1.7
123.04402	2.8
123.11661	1.2
125.02310	0.8
125.09614	1.2
127.03889	1.5
127.11149	1.0
129.05449	0.8
131.04973	1.0
131.06009	0.9
133.10190	0.7
135.07968	0.6
135.11691	1.6
136.05177	1.5
137.05946	8.6
139.03825	1.1
149.05965	24.5
149.13222	1.4
151.03888	16.9
151.07561	1.5
153.01830	6.0
166.06239	100.0
167.06958	1.9
177.12654	0.8
178.06248	1.5
179.07045	7.6
181.08571	61.9
191.10591	1.0
193.08546	1.0
199.09641	2.4
203.33409	0.8
219.21098	2.0
227.09148	1.5
237.18413	1.2
237.22203	1.2
255.04764	0.9
255.08575	1.4
255.23238	0.7
256.07080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45443	1.0
50.98551	1.1
51.72623	1.2
53.03920	1.9
55.01850	1.7
55.05474	5.4
55.05710	1.2
56.96557	15.9
57.03404	5.2
57.07048	1.5
60.04487	1.7
61.02900	2.9
61.67331	1.2
67.05473	3.2
69.03420	8.3
69.07050	1.6
70.06552	5.3
70.12817	5.8
71.01322	3.4
71.04955	3.4
73.02901	3.2
73.06513	4.5
74.06842	1.3
75.04454	2.2
77.00758	1.3
79.05444	4.9
81.03406	7.8
81.04498	1.6
81.07047	16.1
82.05262	3.0
83.04952	2.8
83.06096	13.9
84.08096	1.3
84.96004	1.6
85.02892	12.0
86.03200	3.0
90.10032	1.3
91.05452	2.7
93.04502	7.8
95.04942	2.2
95.06075	22.7
95.08543	1.6
97.02882	9.6
98.06035	6.2
98.97541	8.7
98.98447	17.9
99.04397	2.3
107.04887	2.2
107.06030	1.9
107.08504	1.6
108.04518	1.5
109.02818	3.4
109.10107	2.6
110.07149	79.4
111.04425	1.6
111.05505	2.7
112.07599	7.5
112.08685	2.5
113.07918	1.3
116.98611	7.2
119.01839	5.0
119.04781	1.9
120.08065	1.8
121.08387	1.9
122.06001	1.4
123.04391	1.9
123.05525	1.7
124.03857	2.1
124.07539	1.9
125.07082	3.0
127.03883	8.1
128.04080	1.7
128.98532	2.4
130.08591	2.7
131.01849	1.8
131.03354	2.1
134.05859	1.6
134.99594	4.2
135.04312	1.6
137.02843	1.9
137.05881	2.9
138.05493	1.2
138.06596	1.7
140.03230	1.2
143.01909	1.3
143.03326	2.6
145.03429	2.6
145.04851	3.2
146.99608	2.9
149.05913	1.8
153.01799	16.3
154.02126	3.3
156.07591	2.7
157.04884	1.6
158.06651	1.5
158.99559	2.2
159.02885	6.2
161.01183	2.7
161.02835	2.0
162.05403	2.3
163.12285	39.1
166.04839	1.5
166.13211	1.3
167.05495	2.0
167.06921	2.9
167.11668	3.3
171.03026	1.3
173.02927	1.8
173.04443	1.7
176.07271	1.6
177.00572	2.1
177.07594	1.3
179.71045	1.3
181.13284	2.1
185.02766	1.7
188.07300	2.0
188.92378	2.5
189.00542	2.6
189.07703	1.8
190.13406	18.2
190.98466	1.8
193.13295	3.9
195.11256	21.3
206.07976	1.9
208.09628	1.6
208.14435	52.8
208.99579	2.4
209.12733	2.2
213.07780	5.6
213.85866	1.4
218.07990	1.5
219.04938	4.5
223.05435	1.7
231.03171	2.1
231.08719	4.6
232.05792	2.7
234.08447	2.3
236.09062	2.0
236.13777	1.8
237.02762	1.4
237.05815	2.5
242.07166	1.9
243.05005	1.4
248.99097	3.9
254.10167	4.5
254.14880	100.0
255.14999	1.7
262.55167	1.4
267.00089	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.2
55.05497	2.2
56.96543	2.7
57.03407	1.8
57.05259	1.2
61.02918	7.5
68.05004	2.0
69.03413	2.1
69.07039	1.5
69.56158	2.7
69.56565	6.7
71.01346	8.0
71.04963	3.4
75.04471	17.1
79.05424	1.4
81.03400	5.2
81.04545	1.5
81.07034	2.2
85.02894	3.1
85.48399	1.2
87.04446	5.9
89.02371	2.3
97.02896	2.3
97.06457	1.4
98.97540	1.3
98.98454	19.3
103.03931	18.8
116.88661	1.2
116.98594	1.3
116.99459	1.8
120.08041	3.0
122.05979	1.5
124.03894	2.0
124.07570	2.1
127.03866	1.5
131.03381	7.1
153.01802	4.2
159.02873	47.3
187.02336	2.4
188.07025	2.8
206.08090	2.7
208.13354	2.0
219.04971	100.0
220.05232	2.0
221.03214	3.0
254.06165	3.5
254.10263	2.5
254.13916	5.6
254.17128	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2158
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
50.67368	1.5
53.03918	3.0
55.01863	3.2
55.05501	69.6
57.03422	3.0
57.07067	20.3
67.05492	48.6
69.03398	2.8
69.07055	100.0
69.28466	1.5
71.04990	8.9
71.08611	5.1
79.05479	22.5
81.07040	89.5
83.04960	6.2
83.08604	64.3
85.06526	10.4
85.10159	3.0
91.05462	20.0
93.07032	37.2
95.04934	3.8
95.08588	72.5
97.06512	15.2
97.10151	52.6
98.98451	37.6
99.04417	2.2
99.08083	8.6
105.07015	21.3
107.08582	24.3
109.06497	5.1
109.10137	38.9
111.08089	7.1
111.11699	20.6
113.09619	3.3
115.07594	1.9
116.99421	1.8
117.07018	1.9
119.08558	23.8
121.06478	3.2
121.10117	29.5
123.08023	5.8
123.11687	17.4
125.09584	7.4
125.13249	6.5
127.07562	1.7
129.09048	1.7
131.08473	1.9
133.10106	31.1
135.08011	2.1
135.11658	31.5
137.09621	9.9
137.13240	11.0
139.11157	12.1
141.09145	1.6
147.11652	22.8
149.13243	8.6
151.11153	10.7
151.14816	9.7
153.12706	9.4
155.10587	2.4
157.12120	1.8
161.13240	19.4
163.14754	1.5
165.12732	10.4
169.12122	2.4
171.13815	2.3
175.11230	2.2
175.14809	8.8
177.16341	2.3
179.14273	7.0
183.13811	1.9
189.12779	2.6
189.16331	3.1
191.17969	4.1
193.15852	2.0
193.19489	9.1
217.12192	4.6
217.19472	52.7
235.13344	3.5
235.16959	2.4
235.20503	34.5
253.08714	2.7
253.12132	2.6
253.14345	2.9
253.21602	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	253.1795
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
50.05101	0.6
53.03916	0.7
53.30445	0.7
55.01836	2.5
55.05495	4.4
57.03406	1.4
57.07036	1.9
58.81026	0.7
59.04964	1.1
60.24275	0.6
62.77586	0.7
65.03911	0.9
67.05495	17.0
67.05830	0.6
69.03378	2.4
69.07057	7.3
69.42060	6.5
71.04980	12.1
73.06490	1.0
79.05482	9.4
81.03359	1.1
81.07046	22.9
83.04967	4.2
83.08602	4.2
85.02882	1.1
85.06542	3.8
87.08055	1.1
89.05965	1.5
91.05470	7.9
93.07024	21.5
95.04956	17.2
95.08592	12.3
97.02859	1.0
97.06525	5.6
97.10133	1.5
98.98451	31.1
99.04409	2.4
99.08022	2.0
103.05386	0.8
105.07012	15.6
107.04880	2.0
107.08581	19.5
109.06498	7.5
109.10143	29.0
111.07999	2.1
113.05943	0.8
115.05373	1.0
116.98634	0.7
116.99431	1.0
117.06954	1.5
119.08569	13.4
121.06490	16.8
121.10123	12.4
122.75219	0.8
123.04327	0.9
123.08063	3.6
123.11676	4.3
125.05896	1.4
125.09598	9.5
127.07545	4.0
127.11105	2.4
128.06203	1.0
129.06932	1.2
131.08524	4.1
133.06424	1.4
133.10098	8.1
134.06740	1.0
135.04335	2.1
135.08087	3.4
135.11671	6.9
137.05913	1.4
137.09547	2.4
137.13139	0.7
139.03868	0.8
139.07428	2.9
139.11095	0.9
141.05423	1.0
142.07669	0.7
143.08449	3.1
145.06389	0.9
145.10095	8.7
146.03593	1.7
147.04301	1.6
147.07944	2.8
147.11673	23.1
149.02232	3.1
149.05937	0.8
149.09480	2.1
149.13156	2.8
151.11104	1.1
153.12724	6.8
155.08400	1.3
156.09251	1.0
157.10120	5.7
159.11591	2.8
160.08669	0.7
161.05898	1.2
161.07877	0.8
161.09579	1.7
161.13277	3.6
162.06277	1.4
163.03770	2.1
164.04620	2.0
165.06953	4.9
165.08966	1.7
165.12729	4.8
166.07648	1.1
167.03302	1.9
171.11676	4.9
173.13225	1.2
174.03062	1.2
174.99182	1.4
175.07431	1.0
175.11203	6.0
175.14769	3.4
176.98892	0.8
177.01851	4.8
177.05423	0.9
177.12643	1.7
181.06429	0.8
181.08488	1.0
181.10049	1.3
181.12341	0.8
182.07152	2.1
182.10475	0.8
189.12706	5.2
189.16344	8.6
191.03366	4.6
191.06958	1.0
191.17796	2.0
192.04105	3.9
193.04839	1.9
193.06372	3.9
193.08191	1.1
193.12123	3.1
193.15840	4.2
194.07111	0.7
194.08763	1.7
195.02869	5.8
196.08455	1.0
196.56972	0.7
197.11627	1.8
199.00632	0.7
199.11179	5.1
199.14673	2.1
205.01300	41.7
206.01543	1.3
207.02721	2.0
207.08220	0.9
207.10033	1.3
207.13683	2.8
207.17326	2.1
209.04434	5.2
210.06593	3.1
217.12248	17.8
217.15785	9.5
217.19249	1.3
219.02699	0.9
220.03648	25.6
221.03964	0.9
221.05908	4.4
223.02341	29.8
224.02574	0.9
225.08902	2.7
235.09546	1.4
235.13274	13.4
235.16904	15.6
238.02493	1.2
238.04601	16.1
238.09921	1.0
253.06873	100.0
253.12019	5.3
253.14238	5.1
253.17868	9.5
253.21539	1.8
254.07104	3.8
262.10544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1794
Annotation	Cryptomerone
Peak:m/z	Relative Intensity
51.29962	0.7
52.00324	0.8
53.00939	0.7
53.03931	1.3
55.01854	3.6
55.05497	6.4
57.03408	1.1
57.07064	2.3
58.57013	0.8
59.04696	1.5
59.04990	26.8
63.96562	0.7
65.03918	1.0
67.05485	12.2
68.46940	0.8
69.03422	7.1
69.07054	24.4
69.09845	0.7
69.41054	3.9
69.41479	3.4
71.04977	8.6
77.57715	0.7
79.05477	14.9
81.03395	1.5
81.07040	32.7
83.04958	5.6
83.08595	4.5
85.06512	5.7
91.04134	0.7
91.05456	13.4
93.07024	31.2
93.07619	1.6
95.04961	10.0
95.08588	19.3
95.09081	0.6
97.06516	13.1
97.10165	2.0
98.21516	1.3
98.98449	30.2
99.04417	3.7
99.08076	1.7
101.05997	1.1
103.05473	1.3
105.07011	21.1
106.07367	3.2
107.04936	10.5
107.08572	25.5
109.06495	16.0
109.10135	8.0
111.08055	15.6
111.11674	0.8
113.06001	6.5
115.05438	1.5
117.06995	2.8
119.08564	17.9
121.02824	1.2
121.06486	31.1
121.10123	13.8
122.06805	1.1
123.04423	1.4
123.08051	7.4
123.11686	6.0
125.06007	2.4
125.09642	2.8
127.07526	5.6
127.11162	1.5
128.06183	1.8
129.06979	3.4
131.08540	5.8
133.06502	4.0
133.10092	13.9
134.06805	1.9
135.04379	2.3
135.08022	12.4
135.11676	7.4
137.05952	2.9
137.09578	4.1
137.13239	1.4
139.07526	7.1
139.11125	1.9
141.05411	1.9
142.07805	3.7
143.07013	1.9
143.08542	6.7
144.09309	0.9
145.06432	1.7
145.10100	5.5
146.07301	1.1
147.07996	6.4
147.11653	21.7
149.09584	4.5
149.13225	3.2
151.03928	1.2
151.07500	3.0
151.11153	3.6
155.08517	1.2
156.09303	2.3
157.06387	0.9
157.10085	11.0
159.08051	1.2
159.11688	4.9
161.05936	2.4
161.07925	1.7
161.09607	5.4
161.13246	4.5
162.06282	3.4
163.11140	1.7
165.06975	2.6
165.09114	1.8
165.12712	7.5
166.07773	2.1
167.10626	1.4
167.14360	0.8
168.31345	0.8
169.10097	0.9
171.11694	6.7
173.09599	2.1
173.13240	2.5
175.07486	1.0
175.11137	12.1
175.14786	5.3
176.98865	0.8
177.09355	2.1
177.12717	100.0
178.13092	1.3
179.10680	3.1
181.08604	1.0
181.10095	2.1
182.07146	1.0
189.09070	1.4
189.12703	10.2
189.16360	4.6
191.06982	1.0
191.09322	0.9
191.14325	3.3
192.09709	2.1
192.11467	3.2
193.06519	1.6
193.08511	1.5
193.10437	1.2
193.12218	8.1
193.15877	1.7
194.08934	4.3
195.13742	0.8
197.11693	1.6
199.11128	10.5
199.14771	2.2
205.08414	0.8
207.08328	2.0
207.13745	6.7
207.17387	1.2
210.06741	2.3
211.11409	1.3
217.12225	31.5
217.15747	14.3
217.19362	1.4
220.09065	0.9
221.05942	1.8
221.09720	1.2
225.09175	1.9
228.00572	0.8
229.14359	1.6
235.09525	3.0
235.13266	26.8
235.16911	54.5
236.13651	1.3
238.06296	1.6
238.10266	1.0
253.08430	8.5
253.12032	11.6
253.14410	9.4
253.17973	17.6
253.21637	2.9
254.09019	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1795
Annotation	2,10-Dihydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one
Peak:m/z	Relative Intensity
53.03926	2.2
55.01854	3.0
55.05497	6.1
57.07054	3.4
59.04998	14.2
62.09521	1.3
65.03952	1.4
65.10558	1.1
67.05492	10.5
69.03421	8.8
69.07059	25.3
69.38244	5.2
69.38670	7.1
71.04990	9.3
76.00737	1.2
79.05484	15.2
81.06567	1.7
81.07043	26.6
81.10010	1.2
83.04937	4.0
83.08601	3.6
85.06521	3.1
91.05467	9.8
93.07030	29.0
95.04952	10.0
95.08595	17.6
97.06513	17.5
98.97852	2.1
98.98454	29.2
98.99100	1.7
99.04414	4.1
99.08056	1.6
105.07019	25.4
106.07366	1.2
107.04961	6.6
107.08582	31.5
109.06499	19.4
109.10139	11.7
111.08057	18.1
113.05999	14.6
117.06987	5.4
119.04890	1.6
119.07784	2.2
119.08568	28.1
119.30713	1.5
121.05629	2.4
121.06485	35.4
121.10123	16.5
123.04358	1.6
123.08047	10.7
123.11684	5.0
125.05943	1.7
125.09565	2.5
127.07533	5.0
127.11164	2.6
128.06181	3.3
129.06963	3.7
131.08563	7.1
133.06424	4.5
133.10121	26.1
135.08035	32.5
135.11650	8.2
137.05933	1.4
137.09608	6.6
139.07501	4.5
139.11154	4.6
142.07712	4.1
143.07072	1.1
143.07539	1.4
143.08542	11.0
145.06471	1.9
145.10121	8.0
147.08087	6.5
147.10641	2.2
147.11682	29.1
148.08870	2.0
149.09628	4.2
149.13234	4.6
151.07477	4.6
151.11195	9.6
156.09306	2.7
157.10103	14.7
159.07971	2.0
159.11646	9.5
161.09625	21.5
161.13272	6.5
163.11143	3.6
163.14789	2.4
165.06979	2.2
165.09074	4.4
165.12727	8.3
167.06999	2.2
167.10638	2.5
171.11653	11.1
173.13268	7.1
174.10388	1.2
175.11188	14.8
175.14778	15.3
177.09087	4.5
177.12735	41.1
179.10651	5.4
180.53076	1.2
181.10092	2.0
182.07304	1.5
189.12723	11.0
189.14304	1.6
189.16327	13.1
191.07034	1.3
191.14314	6.8
192.11423	12.5
193.12277	7.2
193.13826	1.5
193.15848	1.9
194.08894	1.2
194.26126	1.3
199.11145	11.4
199.14780	6.6
207.13733	5.2
207.17410	2.4
210.06654	2.0
217.12259	33.7
217.15793	35.9
225.09068	1.7
235.13345	26.1
235.16882	100.0
236.17091	1.6
238.06134	1.9
253.08612	9.7
253.12201	6.7
253.14346	10.8
253.17914	78.6
254.18463	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1795
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
51.53138	1.1
53.03937	1.9
55.01863	4.6
55.05504	15.3
57.03421	3.7
57.07069	7.3
59.04994	2.3
61.69172	1.2
62.03669	1.2
65.03934	1.7
67.05495	35.0
69.03406	5.2
69.07059	21.0
71.04982	25.2
71.08609	2.3
71.62225	1.1
71.62673	1.4
73.06525	2.5
75.14343	1.2
79.05484	12.7
81.03418	2.6
81.07045	41.1
83.04951	6.1
83.08620	11.9
85.02897	2.1
85.06532	8.8
89.05995	1.9
91.05473	9.7
91.18143	1.3
93.07032	30.8
95.04964	26.2
95.08594	39.5
97.02903	2.7
97.06509	11.0
97.10155	5.5
98.98453	100.0
99.04426	7.8
99.08092	3.3
105.07012	27.4
106.07343	2.6
107.04916	2.6
107.08580	35.6
109.06508	11.4
109.10143	55.8
110.67432	1.2
111.04456	1.3
111.08060	7.2
111.11730	3.9
113.05958	1.9
113.09635	1.7
116.99496	2.6
117.07014	2.5
119.08566	21.7
121.06494	17.8
121.10121	20.5
123.04433	2.6
123.08046	4.1
123.11688	12.5
125.05969	3.9
125.09613	14.1
127.03899	5.1
127.07507	4.8
127.11169	3.0
129.05466	2.2
129.06990	1.9
131.08540	7.7
133.06480	4.4
133.10123	15.6
134.06801	3.7
135.08070	8.8
135.11679	14.5
137.05890	3.2
137.09604	5.3
137.13226	4.0
139.07515	6.3
139.11172	2.2
140.00963	1.5
141.05420	1.9
141.12622	1.3
142.07718	1.3
143.08551	3.7
145.06519	1.8
145.10104	8.4
147.08014	6.1
147.11661	32.1
149.09595	3.9
149.13246	6.9
151.07536	2.4
151.11214	2.2
151.14816	1.4
153.12749	9.1
156.09102	1.4
157.10127	9.3
157.82138	1.3
159.11731	3.8
160.07549	1.4
161.05943	3.3
161.07898	2.4
161.09636	3.1
161.13220	10.5
162.06313	3.9
163.14754	1.2
165.07002	5.4
165.09152	2.2
165.11584	1.3
165.12747	7.0
171.11676	5.1
173.13240	1.9
174.99246	3.1
175.11169	9.3
175.14810	5.7
176.98918	3.0
177.16412	1.8
179.10663	2.5
181.10081	2.5
182.07211	1.6
189.12680	7.1
189.16321	11.4
191.18002	3.5
192.09726	3.3
193.06558	3.1
193.08607	2.6
193.12218	5.4
193.15845	7.0
194.08839	6.3
197.11664	4.4
199.11079	7.0
199.14832	3.8
207.13858	4.5
207.17393	2.0
210.06737	2.4
217.12230	21.5
217.15828	16.1
217.19563	4.0
220.09210	1.5
221.06004	4.0
225.08987	3.6
235.13300	24.1
235.16881	25.3
235.20575	5.2
238.06284	1.6
238.10143	1.7
253.08589	17.3
253.12230	17.9
253.14507	5.8
253.17656	11.9
253.21538	8.4
253.25220	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	253.143
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03935	2.2
55.01863	6.8
55.05499	11.4
57.03409	1.4
57.07052	2.2
67.05494	18.1
69.03413	5.5
69.07066	13.6
71.04989	11.9
71.62191	2.2
76.72391	1.2
79.05048	2.4
79.05482	29.9
80.51796	1.3
81.03390	2.5
81.07043	60.8
83.04966	10.3
83.08594	4.4
85.02876	3.6
85.06519	8.9
91.04953	1.9
91.05462	18.8
93.07033	59.1
93.07620	3.1
95.04963	17.6
95.08595	22.7
97.02905	1.6
97.06519	21.4
97.10191	1.4
98.98452	57.0
99.04440	12.5
99.08069	4.8
101.06035	1.8
105.07014	36.4
107.04939	9.0
107.08582	30.5
109.02876	1.3
109.05779	1.9
109.06502	31.3
109.10143	10.1
111.04424	3.7
111.08059	8.2
113.05975	5.5
115.05431	4.3
116.99438	2.3
117.06977	5.5
119.04910	3.8
119.08572	24.5
121.06488	87.0
121.10100	8.6
121.98463	1.2
123.04413	3.8
123.08054	8.9
123.11700	5.0
125.05995	6.6
125.09562	3.8
127.07540	18.4
128.06181	1.7
129.06979	4.6
131.08542	9.8
133.06477	4.4
133.10112	17.2
135.04393	4.8
135.08029	18.2
135.11662	2.9
137.05981	8.4
137.09537	3.1
137.13225	1.4
139.07524	21.3
141.05447	3.4
141.06944	2.0
142.07727	5.6
143.04942	2.1
143.07034	5.8
143.08511	10.9
145.06442	3.7
145.10106	10.5
147.08044	8.6
147.11665	39.6
149.09581	4.8
149.13229	3.6
151.07527	3.7
153.05478	1.4
153.09158	1.8
153.12715	1.2
156.09360	3.4
157.06490	1.8
157.08769	1.9
157.10101	19.1
158.07280	2.0
159.11687	2.4
161.05934	1.4
161.09599	3.3
161.13222	14.1
162.06421	1.8
163.11201	2.0
163.14781	1.8
165.06982	2.7
165.09155	1.7
165.12737	13.7
166.07759	3.3
167.10706	1.5
171.11676	22.5
173.09593	2.8
173.13257	4.4
174.99223	2.1
175.07521	6.7
175.11171	31.3
175.14859	1.8
176.98912	2.0
177.05441	1.8
181.04955	1.6
181.08582	2.1
181.10045	7.2
184.08841	1.9
189.12697	25.0
189.16348	1.6
193.12177	20.4
197.11711	2.0
199.11169	35.3
207.08284	1.8
207.10120	12.3
207.13754	17.9
209.08087	3.2
211.13310	2.4
217.12210	100.0
217.15802	4.3
229.14261	3.1
235.13263	74.6
235.16693	8.8
235.62511	1.7
253.08493	3.5
253.10516	2.9
253.14404	36.7
253.17668	6.6
253.63724	4.2
254.13477	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	253.143
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
51.42423	1.1
53.03933	2.1
55.01864	6.2
55.05500	7.7
57.07066	1.9
59.04991	3.8
59.86101	0.9
61.31838	0.9
61.32158	0.9
67.05496	15.9
68.64494	1.1
69.03422	4.5
69.07066	12.3
69.40677	9.7
71.04985	10.3
79.05478	25.1
81.03413	1.6
81.07045	51.8
83.04975	8.6
83.08614	6.3
85.06526	7.7
89.35986	1.1
91.05467	17.8
93.07028	50.9
95.04948	13.9
95.08592	20.4
95.09157	1.8
97.06513	17.1
98.98453	41.4
99.04446	9.4
99.08052	1.5
101.06032	2.1
103.05475	1.7
105.04541	1.3
105.07018	32.3
107.04929	6.3
107.08582	29.0
108.52301	1.0
109.02910	1.1
109.06501	32.6
109.10149	10.0
111.04413	1.8
111.08056	6.3
113.05994	3.8
117.06988	3.3
119.04909	2.1
119.08565	26.5
121.06489	82.9
121.10126	10.5
123.04453	4.2
123.08051	9.2
123.11665	5.1
125.05978	6.5
125.09608	2.1
127.07544	12.9
127.11148	1.8
128.06209	1.7
129.06981	5.6
131.08588	7.4
133.06473	4.5
133.10101	15.2
135.04428	5.2
135.08034	14.9
135.11693	3.5
137.05972	4.9
137.09583	2.9
137.13362	1.1
139.07521	16.3
141.05499	3.4
141.06981	2.9
142.07761	4.2
143.07092	4.9
143.08534	11.4
145.06482	2.2
145.10104	9.6
147.04375	1.1
147.08054	7.4
147.10504	2.1
147.11665	35.9
149.09637	2.9
149.13274	3.0
151.07516	3.1
151.11142	3.0
153.09077	1.7
155.08435	1.7
156.09351	4.1
157.06490	1.4
157.08725	2.1
157.10100	17.8
159.07973	1.9
159.11685	2.3
161.05980	2.3
161.09621	4.6
161.13243	10.7
163.11194	2.1
163.14825	2.1
165.07037	3.5
165.09082	1.7
165.12724	14.6
166.07782	3.6
171.08080	1.2
171.11668	18.5
173.09631	3.4
173.13240	2.0
174.99240	1.8
175.11174	23.5
175.14809	2.7
177.12685	4.9
178.07822	1.2
179.07054	1.3
179.08429	2.0
179.10712	1.7
181.05035	1.2
181.06569	1.1
181.10001	6.9
182.07269	2.0
183.13829	1.6
184.08839	2.1
189.09065	1.4
189.12703	24.1
189.16394	2.1
191.14316	2.0
193.06453	1.5
193.12199	18.5
197.05986	2.9
197.09605	1.5
197.11591	1.5
199.11163	29.1
199.14792	1.3
207.08006	2.5
207.09944	1.2
207.13751	13.7
210.06810	1.9
211.13313	3.1
217.12213	100.0
217.15820	5.5
221.06026	1.9
225.05479	1.8
225.09081	6.9
229.14313	2.1
235.13264	65.7
235.16800	13.7
238.06166	1.9
253.04997	3.8
253.08554	28.2
253.14349	36.0
253.18022	10.4
253.21637	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	253.143
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03929	2.9
55.01859	6.1
55.05495	8.8
57.03423	1.6
59.04980	1.5
63.76559	1.3
65.03926	1.2
67.05495	16.2
69.03408	5.6
69.07057	12.3
71.04987	12.1
71.62543	2.7
71.62903	1.4
73.02953	1.2
73.06535	1.4
79.05479	30.7
81.07042	58.7
83.04958	10.5
83.08598	5.1
83.53466	1.3
85.06526	8.0
91.05463	20.0
93.07027	61.7
95.04951	15.6
95.08588	21.8
97.06507	21.6
98.98448	40.8
99.04430	11.7
99.08067	2.7
101.05991	1.4
105.04533	1.5
105.07011	37.4
107.04922	7.8
107.08572	31.6
109.06502	33.4
109.10149	8.4
111.04418	1.8
111.08035	6.0
113.05972	5.0
115.05431	2.6
116.63866	1.2
116.99451	1.3
117.06987	4.8
119.04907	1.9
119.08562	25.1
121.06483	82.3
121.10138	8.3
123.04424	3.2
123.08032	7.4
123.11674	5.0
125.05965	6.8
125.09600	1.7
127.07530	15.7
128.06194	2.3
129.06981	5.5
131.08575	7.1
133.06488	7.4
133.10132	18.0
135.04405	4.7
135.08034	17.9
135.11678	2.7
137.05960	5.5
137.09586	3.8
139.07510	18.3
139.11163	1.4
141.05431	2.6
141.06993	1.9
142.07738	4.0
143.07021	5.1
143.08562	12.2
145.06438	2.6
145.10089	9.9
147.04369	1.7
147.08034	8.0
147.11664	45.9
149.09555	3.1
151.03896	2.0
151.07545	3.7
153.09160	1.6
155.08530	2.2
156.09341	6.5
157.06461	1.6
157.10097	21.5
161.05988	2.6
161.09621	3.3
161.13228	12.2
165.06985	2.6
165.12750	17.4
166.07716	3.9
167.10617	1.4
171.08110	2.2
171.11658	22.7
173.09659	3.3
173.13274	2.6
175.07561	3.3
175.09720	2.3
175.11169	27.1
179.06999	2.1
181.06512	1.2
181.08530	3.4
181.10133	5.6
181.17390	1.2
182.07227	1.7
189.09048	2.2
189.12714	27.3
189.16304	1.7
193.12247	19.1
199.11159	31.9
199.14728	1.7
207.10158	1.2
207.13782	15.7
209.08218	1.2
210.06706	1.8
211.13252	3.8
217.12204	100.0
217.15656	2.8
221.05945	2.3
225.08984	2.2
229.14354	2.2
235.09515	3.0
235.13269	77.2
235.16766	12.4
235.20480	1.6
238.06308	1.6
253.08653	9.4
253.12405	3.3
253.14377	38.1
253.17865	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	253.143
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
51.02352	1.1
53.03929	2.7
55.01858	5.8
55.05503	6.7
57.01908	1.0
57.03428	1.5
57.07067	2.0
59.04985	6.5
63.51054	1.0
65.03933	1.0
67.05497	17.1
69.03414	4.6
69.06706	1.5
69.07057	17.4
70.58662	2.3
70.59025	2.0
71.04987	10.2
73.02912	1.1
79.05048	1.8
79.05482	26.0
81.03377	1.6
81.07046	53.8
83.04961	9.7
83.08611	5.0
85.02876	2.5
85.06541	8.1
91.05464	17.0
93.07033	53.4
95.04955	14.8
95.08593	21.2
97.06519	19.5
97.10152	1.1
98.98455	23.0
99.04443	10.4
99.08048	2.5
101.06046	1.6
103.05441	1.7
105.07018	32.0
107.04935	8.8
107.07863	2.0
107.08579	34.2
109.02859	2.5
109.06500	35.9
109.10141	8.2
109.27609	1.0
111.04441	1.6
111.08077	8.3
113.06006	4.8
115.05433	2.4
117.06979	5.0
119.04932	1.6
119.08569	27.3
121.06487	82.7
121.10109	11.5
122.38193	1.0
123.04420	2.8
123.08041	8.1
123.11689	10.3
125.05979	4.4
125.09658	2.4
127.03876	1.3
127.07543	16.0
127.11150	1.2
128.06252	2.4
129.05469	1.3
129.07043	5.1
130.07768	1.4
131.08524	8.3
133.06490	4.7
133.10123	19.8
135.04378	4.2
135.08032	14.4
135.11667	4.6
135.15567	1.0
137.05969	4.5
137.09586	2.7
137.13293	1.2
138.24213	1.0
139.07527	13.4
141.05473	3.3
141.06982	1.7
142.07735	6.7
142.67494	1.2
143.07010	3.0
143.08545	10.7
145.06458	2.7
145.10123	8.1
147.08028	8.4
147.11670	35.4
149.09625	2.9
149.13206	3.2
151.07515	2.5
151.11148	2.4
155.08583	2.0
156.09328	3.9
157.06493	1.3
157.10103	22.0
159.08017	2.8
159.11658	2.6
160.08832	1.2
161.05931	2.4
161.09622	6.7
161.13220	12.6
163.07645	1.2
163.11189	4.5
163.14798	2.2
165.06990	2.6
165.12762	8.6
166.07762	3.3
171.08023	1.3
171.11667	18.1
173.09599	4.0
173.13243	4.4
175.07632	2.1
175.11160	25.6
175.14816	4.0
177.12726	22.5
179.10677	1.4
179.14153	1.2
181.10123	5.1
182.07211	1.0
184.08818	3.1
189.09131	1.7
189.12714	24.2
189.16373	19.1
191.14319	4.3
193.12231	15.0
197.11674	1.3
199.11150	29.5
199.14865	1.8
207.08185	1.1
207.10025	1.2
207.13770	13.2
210.06654	1.0
211.13229	2.1
217.12225	89.6
217.15556	14.5
229.14330	1.5
235.09509	1.9
235.13278	61.6
235.16925	100.0
253.08640	5.5
253.12448	1.5
253.14342	34.7
253.17853	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	253.1431
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.03925	2.2
55.01859	7.6
55.05506	6.7
57.03414	2.1
57.07044	1.9
59.80206	0.7
67.05499	26.5
69.03413	2.2
69.07062	8.7
69.44291	2.4
69.44725	3.7
69.53864	0.6
69.73158	0.6
71.04968	2.8
79.05486	10.4
81.03399	3.5
81.07050	26.4
83.04968	6.0
83.08604	2.7
85.02883	0.8
85.06512	3.2
87.04428	0.6
91.05471	21.7
93.07036	8.3
95.04947	4.6
95.08604	4.8
97.06505	2.4
97.10118	0.9
98.21520	1.1
98.98454	29.8
99.04436	1.3
105.07018	17.9
107.04929	1.3
107.08575	14.3
109.02851	0.8
109.06490	3.3
109.10142	30.6
113.05945	0.8
116.99500	1.1
119.08575	2.2
121.10036	0.7
123.11694	5.4
127.07526	1.8
128.22806	0.6
131.08530	1.8
133.10112	38.3
140.01021	0.6
143.08554	1.2
147.11639	1.0
151.11172	17.0
161.09659	1.3
169.10173	0.7
169.12251	3.5
176.98865	0.6
179.10603	1.3
181.28317	0.9
197.11664	1.5
253.14322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.143
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03937	2.6
55.01858	5.6
55.05501	7.6
57.03418	2.1
57.07073	1.8
59.04992	2.9
64.38931	1.3
67.05489	16.0
69.03423	4.4
69.07054	11.5
71.04971	11.6
71.29521	2.6
73.06563	1.1
77.28387	1.2
79.05478	27.0
81.03397	1.6
81.07039	56.8
83.04970	10.0
83.08611	5.6
85.02940	2.5
85.06552	7.5
90.52277	1.1
91.05457	21.6
93.07026	48.0
94.03051	1.2
95.04948	15.3
95.08585	20.7
97.02893	1.5
97.06512	19.6
98.98448	54.7
99.04433	12.1
99.08080	1.9
101.06010	2.6
103.05460	2.4
105.07008	32.0
107.04938	6.7
107.08577	28.1
109.02853	1.7
109.06499	33.2
109.10144	9.2
111.04421	1.8
111.08041	8.0
112.07628	1.4
113.05981	4.8
114.05494	1.4
115.05440	4.2
116.99472	1.6
117.07019	4.6
119.04872	2.2
119.07774	2.2
119.08560	23.9
121.02877	1.2
121.06483	80.5
121.10113	10.7
123.04417	3.5
123.08046	7.9
123.08813	1.5
123.11718	6.2
125.05980	5.0
125.09595	3.1
127.07531	15.3
127.11143	1.5
128.06227	2.4
129.06989	4.9
131.08536	6.8
133.06479	6.9
133.10106	16.6
135.04408	4.6
135.08049	17.1
135.11665	3.4
136.31772	1.2
137.05962	6.1
137.09601	4.0
139.07507	15.5
140.10654	1.5
141.05397	3.6
141.06923	2.2
142.07779	2.1
143.04907	2.4
143.07011	5.5
143.08531	8.5
145.06413	2.4
145.10103	10.8
146.86894	1.6
147.08025	10.5
147.11662	43.3
149.06032	2.2
149.09608	5.4
149.13188	2.9
151.07506	3.6
151.11119	2.8
153.09073	1.5
155.08557	2.1
155.10632	1.7
156.09312	4.5
157.08716	1.9
157.10103	20.8
159.08102	1.6
159.11638	1.9
161.05966	3.0
161.09633	5.4
161.13211	13.4
163.11209	2.6
163.14874	1.9
165.06920	3.1
165.12735	15.5
166.07748	3.5
171.11659	18.0
173.09642	3.4
173.13252	3.0
174.99268	1.5
175.07591	5.2
175.11147	25.1
175.14616	1.5
176.98906	1.7
177.05443	1.7
177.12750	3.7
178.07870	1.3
179.07048	1.8
179.10599	2.0
181.05046	3.4
181.08673	1.8
181.10097	3.7
183.13850	2.0
184.08835	2.3
189.12708	28.8
189.16510	2.4
191.14282	1.8
192.09508	1.6
193.12209	22.0
194.08878	1.3
197.09685	1.4
197.11720	2.0
199.11142	29.9
199.12848	2.4
199.14752	1.3
207.06404	1.7
207.08144	3.2
207.10162	11.0
207.13718	15.5
209.08026	1.6
210.06812	2.6
211.13309	2.8
217.12199	100.0
217.15782	5.8
221.05922	1.8
225.08998	2.3
229.14389	1.7
235.09586	3.0
235.13251	78.8
235.16783	9.3
238.06439	1.8
253.08743	8.4
253.10634	3.4
253.14372	36.7
253.17741	8.7
261.16565	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01857	2.3
55.05256	0.7
55.05503	10.2
56.96556	4.6
57.03430	5.7
57.07043	1.9
59.04988	1.1
61.02918	7.2
67.05480	1.9
69.03416	18.9
69.07054	2.2
69.32749	0.5
69.90398	3.2
71.01324	0.9
71.04984	2.7
73.02905	4.6
73.06544	24.0
79.01855	2.8
79.05473	1.1
81.03410	7.6
81.07047	2.2
83.01337	0.9
83.04964	1.8
83.08624	0.9
84.08132	1.1
84.96030	0.9
85.02890	100.0
86.03220	0.6
87.04449	2.4
91.03928	5.7
91.05462	0.7
95.04983	0.9
95.06059	0.7
95.08602	2.4
97.02875	24.0
97.10145	0.5
98.03195	0.6
98.06039	2.2
98.97578	8.2
98.98454	38.6
99.04426	4.5
101.02355	0.7
103.03925	1.3
104.56063	0.5
105.07020	1.4
106.47456	0.5
107.01286	0.6
107.04887	0.7
107.08594	0.6
109.02866	9.3
109.06472	0.8
109.10160	1.1
110.07158	2.3
110.97556	0.7
111.04446	0.9
112.07585	8.7
115.03936	1.5
116.98608	6.7
116.99482	1.5
119.01880	1.8
119.08572	0.7
120.08091	2.0
121.02773	0.7
121.05095	2.5
123.04372	0.8
123.08073	0.6
123.11674	0.5
124.07553	0.6
125.02344	1.9
127.03899	23.6
128.98598	1.6
130.08621	1.7
131.00162	1.1
134.99657	3.3
135.04388	0.6
137.05930	0.9
141.05443	1.1
143.00119	1.5
143.03369	3.0
145.03732	1.2
145.04932	26.3
146.99654	0.7
147.04315	0.8
148.03909	0.6
149.01222	1.6
153.01802	37.5
153.02742	1.8
154.02194	2.3
155.04668	0.8
158.06654	4.9
158.99652	2.8
161.01210	1.8
161.02965	0.9
163.03874	0.6
163.05994	4.3
163.12296	1.1
165.05453	0.9
167.07051	0.8
170.06615	1.3
170.99559	0.6
173.01147	0.8
174.04378	1.2
174.99228	1.6
176.07684	3.8
176.98940	1.6
177.00693	3.8
177.02032	0.8
177.04155	0.8
179.10667	0.8
183.05017	0.5
185.01151	1.0
186.04604	0.6
188.07573	3.8
189.00719	1.0
197.11797	1.2
203.02307	1.0
208.14470	1.0
209.03316	1.9
212.07664	12.8
212.09532	1.0
217.19415	0.7
219.01756	2.4
227.04372	0.9
230.06648	0.5
230.08693	13.3
230.10847	0.7
233.06848	1.2
237.02792	1.9
237.04948	0.7
239.04391	1.1
241.06412	0.7
242.07175	0.9
248.99185	0.7
252.57315	0.9
253.04478	5.5
253.12376	0.9
253.15689	0.8
253.18129	1.0
253.54932	1.5
254.14981	1.4
262.05206	9.5
262.55411	0.7
273.56006	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
53.21392	0.3
55.01877	2.1
55.02096	0.3
55.05505	8.0
56.96554	3.3
57.03431	4.8
57.07070	1.4
59.04982	0.7
60.04531	0.3
61.02920	8.6
67.05511	1.6
68.55244	0.3
69.03423	17.2
69.07065	2.0
70.06594	0.6
71.01352	0.7
71.04990	2.8
71.23798	0.6
73.02912	4.3
73.06547	4.5
79.05487	1.0
81.03409	6.0
81.07055	2.3
83.01325	0.7
83.04988	0.9
83.06100	0.4
83.08624	0.9
85.02895	100.0
85.06527	0.3
86.03253	0.7
87.04468	2.3
91.03945	4.3
91.05471	0.7
93.07019	0.6
95.04949	1.0
95.08606	2.2
97.02882	22.6
97.10129	0.9
98.97560	1.9
98.98455	50.4
99.04441	3.9
100.98909	0.6
101.02369	1.0
103.03931	1.0
105.07019	0.8
106.07348	0.8
107.04940	0.5
107.08575	0.6
109.02125	0.5
109.02866	8.6
109.10143	1.1
110.07133	0.9
110.97557	0.5
111.04404	0.4
115.03918	1.3
115.05417	0.6
116.98598	1.6
116.99484	2.2
119.08569	0.5
120.08114	0.7
121.05098	1.2
121.06484	0.6
121.10146	0.4
123.04400	0.6
123.08056	0.3
123.11729	0.6
127.03904	23.3
128.98618	0.3
130.79575	0.3
133.02850	0.4
133.06459	0.6
133.10117	0.4
134.06801	0.9
134.99631	1.0
135.04404	0.4
135.11742	0.4
136.06160	0.8
137.05827	0.6
137.09686	0.3
137.13239	0.4
141.05405	0.9
143.00134	0.4
145.04942	24.4
146.99597	0.6
149.06015	0.5
151.07631	0.3
153.01787	2.1
153.05373	0.3
158.99602	0.5
161.01205	0.8
161.05905	0.6
161.09584	0.3
162.06311	1.2
163.06015	4.2
165.05432	0.4
165.09111	0.3
167.07019	0.5
169.08665	0.4
173.02783	0.6
174.99213	1.4
176.98885	1.2
177.05443	0.5
179.10564	0.6
193.04439	0.4
193.08600	0.5
194.08908	1.3
197.11700	1.8
201.00778	0.3
206.98706	0.4
210.04416	0.4
217.19559	0.5
219.01701	0.5
221.03232	0.4
232.05986	0.5
233.06734	0.9
235.07790	0.4
235.16902	0.4
235.20599	0.4
237.02776	1.1
237.05064	0.4
239.04329	0.5
241.06551	0.9
242.07266	1.9
245.02924	0.4
248.99158	0.5
253.06561	1.4
253.08896	0.4
253.12610	2.1
253.18044	0.5
253.21507	0.6
253.56432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.7
57.03431	0.3
67.05481	0.4
71.04979	0.3
71.61440	0.3
76.46832	0.2
76.68887	0.2
78.86686	0.2
79.05486	1.0
81.03408	0.4
81.07041	3.3
85.02900	0.7
91.05482	0.8
93.07019	0.4
94.04044	1.0
95.08608	0.4
97.02866	0.3
97.06499	0.3
98.98455	9.7
103.05482	0.3
104.03451	0.6
105.07026	0.8
106.06558	0.6
107.04957	1.3
107.08553	0.3
109.02869	0.8
116.99484	0.4
117.08831	0.2
118.06564	0.3
119.03530	1.5
119.08557	0.3
120.08090	3.1
121.06472	0.4
127.03882	0.3
131.04898	0.5
133.06482	0.6
136.06171	100.0
137.04594	1.8
137.06543	0.3
140.56297	0.2
146.05983	0.6
149.00560	0.7
153.01810	0.3
161.05952	0.9
176.01634	0.6
176.96817	0.3
181.04892	0.4
188.07043	0.4
193.08507	0.5
204.01114	0.3
205.98697	0.6
206.08076	1.8
207.08142	0.3
216.00960	0.3
216.06468	0.3
229.00227	0.5
234.07675	0.2
234.13455	16.6
252.03229	5.6
252.14519	64.2
253.10777	0.3
253.14761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2001
Annotation	roughanic acid
Peak:m/z	Relative Intensity
55.05502	5.4
57.03431	1.0
57.07066	4.9
57.15945	0.6
58.83240	0.6
59.04995	1.2
63.91042	0.7
67.05492	9.4
69.03420	1.5
69.07063	8.1
71.04951	1.4
71.08619	1.4
71.63283	0.9
75.68723	0.6
78.41629	0.7
79.05478	4.3
81.07046	16.8
83.04964	1.7
83.08607	6.0
85.06515	0.9
91.05463	4.7
93.07027	10.7
95.04944	1.7
95.08590	33.4
97.06526	4.8
97.10134	2.0
98.98452	67.6
99.08067	1.1
100.87583	0.8
105.07013	10.5
106.39320	0.7
107.08581	14.9
109.06498	3.1
109.10141	18.8
111.08051	7.2
113.09584	1.0
115.05479	0.7
116.99467	2.6
117.06992	3.4
119.07780	1.2
119.08566	16.0
121.06497	1.3
121.10120	14.3
123.08031	3.8
123.11694	8.3
125.09615	11.6
131.08553	7.3
133.10112	76.6
134.10432	1.2
135.11678	8.7
137.09605	3.7
137.13257	1.0
139.11174	1.7
140.01025	1.0
144.09277	1.5
145.10095	8.1
147.11667	14.1
149.09644	1.6
149.13245	5.5
151.11159	4.7
153.12640	1.6
157.10092	1.6
158.10934	1.4
159.11670	35.4
161.13240	4.2
163.11133	1.9
163.14764	3.1
165.12721	1.2
171.11662	1.0
172.12477	1.9
173.11731	1.3
173.13239	25.1
174.13493	0.8
174.99193	4.8
175.14740	1.9
177.12749	1.3
179.14284	3.0
187.14790	18.6
189.16359	20.5
191.14246	1.3
191.17891	4.0
203.17822	0.7
205.98738	1.8
207.17430	0.8
215.17920	52.3
216.18260	0.9
233.11633	1.1
233.15414	1.3
233.18983	16.2
251.20033	100.0
252.12193	0.8
252.20309	1.7
267.69125	0.8
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	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
50.24845	0.3
53.94800	0.3
55.01860	1.2
56.05022	0.7
58.24356	0.3
59.06867	0.4
60.04507	1.2
69.07064	0.4
69.29420	0.4
69.29750	4.2
70.92544	0.3
79.05477	2.4
81.07018	1.5
91.05474	2.5
93.07034	1.3
95.04955	0.8
95.08583	0.4
98.98452	5.3
103.05423	2.2
104.06223	1.1
105.07017	27.6
106.07360	0.7
106.08067	0.3
107.08549	0.7
109.06510	0.3
112.06573	0.3
115.05431	4.6
118.04139	1.5
119.08601	0.5
121.06492	0.4
123.04436	0.4
131.04909	0.9
131.08545	0.5
132.05678	0.6
132.08051	1.1
133.06473	26.2
134.06853	0.5
140.62505	0.3
143.04956	0.7
143.06023	1.4
145.10016	0.4
146.10425	0.5
149.05984	0.6
160.05255	0.9
160.07559	19.1
161.05962	34.2
162.06508	0.4
167.07040	3.3
178.06267	0.8
178.08586	0.7
188.07016	3.4
191.09387	20.1
192.10057	0.7
193.08577	41.9
206.08075	8.2
208.09650	2.9
210.11237	7.6
219.08876	6.7
220.09637	1.9
222.07539	1.7
234.08328	0.7
234.15395	0.6
236.09084	0.9
237.09941	8.7
252.12274	100.0
253.12553	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1638
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03916	1.7
55.05484	6.5
59.04990	2.1
67.05495	16.3
69.03421	13.2
69.07066	14.6
70.77790	4.8
71.04985	32.3
79.05476	13.0
81.07043	34.5
83.04958	10.4
83.08583	4.3
85.06494	5.9
91.05463	14.1
93.06462	2.1
93.07027	29.9
95.04974	7.3
95.08060	1.6
95.08593	21.7
97.02859	3.2
97.06492	5.1
97.10123	1.8
98.98453	50.0
99.04439	4.5
99.08070	2.0
103.05448	1.5
105.07018	22.7
106.89272	1.4
107.04919	3.2
107.08575	33.2
109.02866	2.1
109.06504	9.4
109.10152	17.0
111.04424	73.0
111.08052	4.6
113.05963	3.4
115.05423	3.3
117.07003	6.9
119.08562	37.1
119.55701	1.4
121.06478	16.2
121.10114	25.5
123.04419	1.9
123.08035	4.6
123.11677	19.8
125.05949	4.5
125.09601	18.7
127.07568	1.9
129.06995	3.6
130.07758	2.3
131.08508	10.1
133.06458	5.1
133.10086	12.6
135.04370	1.5
135.08049	6.5
135.11668	28.7
137.05954	4.2
137.09587	28.0
139.07512	3.0
139.11119	3.8
141.12726	5.7
143.08527	3.3
144.09271	1.3
145.06470	4.1
145.10100	27.2
147.04323	1.7
147.08023	21.6
147.11656	5.9
149.05907	1.7
149.09566	3.2
149.13223	2.5
151.07529	3.0
151.11176	1.9
153.12697	2.5
156.09312	1.6
159.08009	7.0
159.11673	6.5
161.05962	4.5
161.09581	4.6
161.13211	2.6
163.07536	2.8
163.11153	28.6
165.09073	15.6
167.10652	1.5
169.10037	2.0
171.11679	1.7
173.06036	1.9
173.09543	8.3
173.13226	5.7
175.07539	2.0
175.11134	3.5
177.09050	2.9
181.12215	24.7
185.67038	1.5
187.11174	7.3
187.14743	7.6
189.05453	3.3
189.12827	3.0
189.16283	1.7
191.06992	3.2
191.10640	4.3
191.14265	4.5
193.08574	6.2
197.13226	2.1
205.08591	5.1
205.12202	5.3
205.15820	10.9
207.81487	1.6
215.10643	5.2
215.14273	14.1
215.17778	3.6
221.07959	3.1
223.16893	33.7
233.08086	3.5
233.11800	8.4
233.15297	25.1
233.18962	3.8
251.06976	3.1
251.10748	3.8
251.12856	3.5
251.16383	100.0
251.20038	9.7
252.12338	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18407	0.4
52.51234	0.5
55.01868	0.7
55.05501	1.8
55.50417	0.5
57.03409	0.7
59.04998	0.8
60.77712	0.5
67.05485	3.7
68.05061	0.5
69.03412	1.5
69.07057	2.8
69.44919	1.2
69.45316	4.2
71.04983	0.5
78.31573	0.4
79.05473	3.7
81.05791	1.0
81.06582	0.5
81.07047	8.7
82.06570	0.7
83.04974	0.8
83.08611	1.7
85.02883	0.6
85.06525	1.4
91.05457	5.0
93.07025	5.0
94.06550	3.2
95.04967	1.6
95.08585	6.1
96.04471	6.7
96.08118	4.7
97.02913	0.5
97.05275	0.7
97.06503	0.7
97.08890	0.6
97.10155	0.6
98.06055	0.7
98.09660	0.7
98.20596	0.4
103.05429	0.5
105.03403	0.8
105.07021	4.1
106.06537	0.7
107.04910	1.1
107.08582	4.1
108.08095	2.7
109.06511	2.4
109.10139	3.9
110.06022	18.9
110.09660	1.8
111.08046	0.6
112.41634	0.5
115.05418	2.8
116.06216	1.1
117.07006	2.3
119.04958	0.7
119.08557	3.7
121.06488	1.5
121.10108	3.4
122.06014	3.3
123.08041	1.0
123.11679	1.3
124.07571	33.9
125.08353	25.1
126.09135	24.1
128.06203	4.4
129.06981	7.8
130.07773	0.7
131.04898	1.4
131.08549	8.2
132.05678	0.5
133.06474	1.8
133.10120	3.0
134.09627	7.0
134.11867	0.5
135.04427	1.1
135.08026	1.9
135.11697	1.9
136.07533	1.1
136.11169	0.9
137.09618	0.6
139.11130	0.6
141.06931	3.6
142.07739	2.1
143.04907	0.9
143.08521	2.4
144.05690	3.7
145.06445	3.1
145.10091	0.9
146.07240	1.4
146.09622	0.8
147.04381	0.8
147.08054	1.2
147.11681	1.7
149.09596	0.7
149.13231	1.7
150.09186	0.6
151.07497	0.7
151.11127	0.5
152.10684	5.9
153.07004	1.5
154.12273	0.6
156.05670	1.0
156.09355	0.8
157.06450	4.0
157.08870	0.9
157.10097	1.4
158.07274	1.0
158.09657	0.6
159.04390	1.0
159.08029	10.6
159.10419	1.1
159.11673	0.8
160.05193	1.0
161.05945	2.1
161.09586	4.3
161.13303	0.9
162.12781	1.2
164.10681	0.9
165.09047	0.6
169.07648	1.1
170.07265	3.9
171.04390	0.8
171.08025	3.6
171.11714	0.8
172.05153	1.3
173.06015	1.9
173.12000	1.3
174.06686	1.2
174.09146	0.9
175.07518	2.8
175.14871	0.9
178.06236	0.6
178.07858	0.5
185.05974	1.0
185.09648	0.6
185.13280	0.8
186.12775	3.4
187.07510	8.6
188.07892	0.5
188.12799	0.9
188.14330	8.9
189.05481	1.8
189.09042	4.6
189.12727	1.6
189.16373	1.3
190.06194	1.1
190.12283	0.7
191.06985	0.9
193.12183	0.6
199.07526	2.1
202.11000	1.3
203.06961	4.6
203.10612	0.9
203.17972	0.7
204.07817	4.7
204.09712	0.7
204.13881	1.2
205.08586	1.5
206.07317	0.8
207.13820	0.8
213.12758	0.6
213.16371	0.6
214.12193	3.3
216.07838	1.4
216.12376	2.3
218.09210	0.6
219.06479	0.5
219.10103	1.6
221.08017	0.7
221.11745	1.7
221.16446	5.2
231.10120	3.2
231.14922	41.2
231.17276	1.5
232.13345	3.3
249.07208	1.2
249.08989	2.7
249.11234	50.6
249.15958	100.0
249.18239	4.7
250.11678	0.9
250.16313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
57.03405	1.2
57.07063	1.9
59.05003	5.1
67.05504	1.7
69.03424	2.7
69.07072	0.9
69.78836	2.1
69.79251	5.0
70.24412	0.9
71.04977	1.3
72.04507	22.0
79.05483	0.9
81.03404	2.0
81.07062	2.1
83.04967	1.5
83.08622	0.8
85.02888	3.4
87.04444	1.3
91.05469	2.5
93.07041	1.7
93.60850	0.8
95.08599	3.0
97.02895	1.8
99.04486	0.9
100.03917	0.8
103.05443	1.0
105.07014	2.7
106.02937	0.9
107.04979	1.0
107.08573	1.6
109.02852	1.2
111.04432	1.3
115.05437	2.4
117.05749	3.5
117.07014	3.6
118.05022	26.3
118.06523	34.5
119.04888	1.0
121.02866	1.3
121.10138	1.6
127.03897	1.5
128.61729	0.8
130.06514	1.6
132.08076	85.8
133.06500	1.0
133.08420	1.7
142.06534	2.1
143.07332	4.5
143.08253	0.9
144.08066	21.7
146.05992	91.8
147.06197	0.9
153.01729	1.2
158.08401	1.7
159.09138	2.3
161.05998	1.3
161.09573	1.0
170.06001	7.2
183.96037	0.9
185.07080	2.2
188.07042	100.0
189.07451	1.9
203.11838	4.8
207.13654	1.2
231.00679	1.6
231.08334	1.0
231.13713	1.0
232.37360	0.9
249.03749	1.2
249.08086	1.4
249.12350	24.7
249.14784	2.2
249.19719	5.4
250.12823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97066	7.2
71.60638	12.4
83.23946	6.8
85.99728	6.7
92.38715	7.4
119.01874	42.9
121.01691	24.0
133.03438	15.0
134.25356	8.4
145.03357	7.9
147.03101	9.7
161.02954	14.9
163.02660	8.0
171.03195	10.1
171.05009	12.6
207.03642	7.8
249.03757	100.0
249.06462	24.7
249.14435	33.0
267.07425	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.7
58.99849	0.9
69.86983	1.4
70.52099	0.3
70.99839	0.4
74.00092	0.3
77.00899	0.8
82.99799	2.4
85.01392	0.7
101.00866	31.4
102.00939	0.3
103.02413	1.5
105.00401	0.3
113.00843	2.0
115.02428	0.5
119.01903	100.0
120.01993	1.2
121.03461	1.0
121.16946	0.3
124.02438	0.5
127.02399	1.5
131.01888	9.1
133.03465	1.0
137.02936	21.5
141.00363	0.4
142.03464	2.2
143.01872	13.0
145.03441	10.9
146.03592	0.4
147.01347	1.1
149.02939	2.0
157.03450	2.5
159.01370	9.4
160.04594	0.4
161.02936	42.1
163.04512	2.0
165.02483	0.6
171.01361	2.5
173.02936	3.9
175.04564	1.3
177.02425	16.0
179.03972	1.9
184.04518	0.9
189.02420	22.3
191.04012	3.2
195.03426	0.6
200.04016	0.6
201.02422	3.9
207.03496	8.7
212.03983	0.8
219.03491	5.0
230.05000	0.3
231.03448	0.6
249.04536	10.2
267.05548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03925	0.7
55.01854	0.4
57.03408	0.6
59.04978	0.5
67.05482	0.8
69.03402	1.4
70.92482	0.7
71.04961	0.3
73.70660	0.3
74.20152	0.3
74.86367	0.3
79.05496	0.7
81.03045	0.3
81.03411	3.2
81.07044	0.5
83.04968	0.3
85.02924	0.3
91.05460	4.5
92.18465	0.3
93.07024	0.3
93.18884	0.3
95.04947	0.6
95.08568	0.4
97.02860	1.0
98.20856	0.3
99.04479	0.4
100.83312	0.3
103.05440	0.5
105.03378	7.4
105.07012	2.7
107.04958	1.5
109.02866	1.6
115.05434	3.7
116.06207	1.9
117.06987	2.8
118.07807	0.3
119.04930	0.5
119.08555	0.6
119.28043	0.3
121.06456	0.7
123.04397	0.5
127.03906	0.6
128.06200	5.4
129.06985	14.1
130.07788	0.8
131.04918	1.7
131.08551	14.6
132.05669	0.6
133.06470	2.2
133.10089	1.3
137.05916	0.3
137.55074	0.4
141.06966	7.2
142.07759	3.0
143.04900	0.5
143.08521	3.2
144.05682	7.4
145.06456	4.5
145.10083	0.4
146.07228	2.3
147.04396	1.1
147.07993	0.6
152.06155	0.9
153.06961	1.4
155.05995	0.8
156.05670	1.4
157.06470	7.7
158.07286	1.6
159.04390	0.7
159.08026	22.2
160.05173	1.2
161.05966	2.7
161.09583	5.9
167.06978	0.9
169.06285	1.4
169.07724	1.5
170.07257	5.8
171.04463	0.7
171.08018	4.9
172.05165	2.6
173.05956	3.1
174.06709	1.2
174.11548	0.6
175.07526	2.9
178.06174	0.5
184.05177	0.4
184.08745	0.3
185.05934	0.7
186.06725	0.6
187.07516	15.1
188.04626	0.4
188.08299	0.9
189.05452	2.2
189.09058	7.2
190.06227	1.2
191.06984	1.4
193.08566	0.8
198.06703	1.4
199.07481	2.2
201.05440	1.3
203.07018	5.0
203.10664	0.4
203.15503	1.6
204.07800	10.4
205.08574	1.7
206.09317	0.8
216.07776	3.2
217.04956	0.4
217.08519	0.9
218.09354	1.6
219.10036	1.4
221.08177	0.6
221.11684	2.7
231.06398	0.5
231.10120	5.0
231.14847	1.4
234.08867	0.6
249.07620	2.6
249.11185	100.0
250.11580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1642
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
52.37616	0.1
55.05488	0.3
57.84013	0.2
67.05473	0.2
69.07054	0.3
69.57113	0.3
69.57520	1.0
70.31149	0.1
81.03426	0.2
83.04961	0.1
91.05470	0.3
93.07018	0.3
95.08586	0.3
98.97534	0.2
105.07015	0.4
106.06537	0.2
115.05444	0.5
117.07020	0.3
118.06517	3.9
119.08585	0.2
120.08101	0.2
121.10101	0.2
123.93413	0.2
128.06187	0.3
129.06981	0.8
131.07616	0.2
131.08540	1.1
132.08061	2.1
133.06476	0.2
133.08855	0.4
133.10063	0.3
134.09596	0.5
137.05911	0.2
141.06952	0.3
143.08519	0.3
144.05652	0.4
144.08005	0.2
145.06396	0.2
146.09624	1.4
147.10309	0.2
157.06461	0.4
158.07408	0.1
159.04355	0.2
159.07979	1.0
160.05138	0.4
160.11200	0.5
161.05994	0.2
161.09593	0.3
164.77057	0.2
170.07195	0.2
171.07988	0.1
172.11307	0.2
173.05983	0.2
174.06645	0.1
174.12770	1.1
175.07489	1.0
176.14319	10.7
187.07469	0.7
188.08130	0.2
189.09024	0.4
190.08598	10.0
191.07048	0.2
191.09216	0.2
202.15858	1.7
203.06985	0.3
203.16580	0.9
204.07825	0.5
204.10147	4.7
205.06526	0.2
205.08859	0.3
205.10895	1.5
206.11894	0.2
216.07930	0.2
217.12640	0.2
218.11714	3.8
218.13828	0.3
219.06490	0.6
219.12321	0.2
220.08339	0.2
230.16048	0.2
231.09904	0.2
232.13333	0.4
233.14064	0.2
248.16411	100.0
249.07289	0.3
249.11197	4.9
249.16737	1.4
265.00455	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	248.164
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
52.43367	0.8
55.05506	5.8
57.07066	3.8
58.07392	1.0
58.09300	0.8
60.20253	0.8
67.05494	2.2
69.03407	1.0
69.07050	2.1
69.66020	5.5
71.48228	0.8
79.05482	2.2
80.81164	0.8
81.03387	0.9
81.07034	2.3
83.04958	1.2
83.08595	1.2
85.02889	1.1
85.06519	2.4
91.05464	10.1
91.56582	0.8
93.07021	2.3
95.04958	1.3
95.08589	3.3
103.05479	0.9
105.07018	40.7
107.08576	5.8
109.06498	9.0
109.10145	1.2
116.06218	1.0
117.07001	3.8
118.96970	0.9
119.08562	41.4
121.10140	7.6
123.08041	6.7
123.11700	1.0
127.86789	0.8
129.06941	1.0
131.08562	3.4
132.09361	1.2
133.06494	1.3
137.09610	1.9
137.13184	0.8
144.05731	0.9
145.06525	0.9
145.10132	5.4
147.11664	63.6
148.01355	0.9
149.09581	2.6
150.07751	3.3
151.07544	3.3
157.06432	1.0
159.08087	0.9
161.13211	1.4
163.11172	4.5
165.12711	4.0
171.11705	1.2
187.07562	1.0
189.12715	4.3
203.07042	1.3
207.13777	25.7
230.13719	1.0
248.16469	100.0
249.07596	1.7
249.11252	5.5
249.16661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1689
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03916	0.7
55.01830	0.8
55.05504	5.1
57.07070	2.6
65.03914	0.7
67.05498	9.2
69.03406	1.4
69.06728	0.8
69.07057	11.6
71.04971	1.1
71.08595	1.3
71.63093	0.6
79.05477	5.9
81.03397	1.0
81.07044	22.5
83.04935	1.2
83.08614	4.4
85.02870	0.7
85.06551	1.1
91.05471	6.4
93.06470	0.8
93.07033	16.0
95.04947	1.4
95.08592	22.4
97.06481	1.0
97.10155	2.6
99.04422	0.8
99.89405	0.6
105.07011	10.3
107.04929	1.0
107.07853	1.0
107.08578	19.7
109.02837	0.8
109.06478	1.0
109.10133	13.1
111.08073	0.6
111.11699	0.8
115.05395	1.0
116.06169	0.5
117.06984	3.4
119.08563	10.1
121.02830	1.7
121.06480	1.5
121.10130	11.8
123.08069	0.6
123.11688	6.7
124.07573	0.6
125.05938	0.6
125.09521	0.6
127.03855	1.4
128.06203	1.0
129.06963	2.3
130.07759	0.7
131.08543	13.1
133.06497	0.6
133.10118	15.7
135.08008	1.6
135.11668	8.6
137.09572	1.3
137.13213	3.9
139.97397	0.5
141.06969	2.6
143.08557	2.5
144.05656	1.2
145.06441	1.7
145.10098	22.5
147.08025	0.9
147.11674	4.0
149.09514	1.0
149.13229	7.2
151.14772	1.6
155.08499	0.9
157.06480	0.9
157.10109	1.4
158.07262	1.1
158.10838	0.7
159.08014	4.4
159.11674	11.0
161.05925	0.7
161.09587	0.8
161.13208	2.6
163.07509	1.1
163.11137	1.4
163.14793	4.6
165.09024	0.8
165.16350	1.1
169.06451	0.6
169.10094	1.0
171.11710	1.1
172.08710	0.5
173.09615	1.5
173.13232	7.3
175.03897	1.5
175.07489	0.5
175.08902	0.6
175.14839	1.3
177.09035	1.6
177.12735	0.5
177.16367	4.2
179.10666	3.1
183.11620	1.3
183.48610	0.5
185.13228	0.7
186.06697	0.9
186.14027	2.5
187.07478	3.0
187.11128	1.8
187.14761	3.1
188.08186	0.7
189.09027	0.7
189.64186	0.6
191.08707	0.7
191.10626	2.1
191.17921	3.3
201.09013	3.1
201.16353	100.0
202.16705	1.9
203.06879	0.7
203.14441	0.8
203.17963	2.8
205.12212	0.8
205.19475	0.8
211.14792	1.6
215.07031	1.4
217.08485	1.0
219.08083	0.8
219.10191	1.0
219.17374	3.8
229.08585	1.4
229.12257	1.4
229.15863	5.2
229.19449	1.2
247.07445	1.7
247.09676	8.0
247.12973	2.7
247.16908	40.8
247.20413	2.6
247.24150	21.0
248.17175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1687
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
52.96822	0.4
53.03954	0.4
55.05495	1.7
66.93930	0.4
67.05498	1.5
69.07066	3.8
70.82438	0.8
71.04982	0.4
79.05465	1.6
81.07034	3.5
83.08611	0.8
91.05448	2.3
93.07045	4.5
95.04964	0.9
95.08592	4.9
97.06522	0.5
105.07017	5.7
107.08595	5.5
109.10143	2.3
117.06998	1.4
119.08574	5.9
121.06479	0.5
121.10130	2.3
123.08025	0.6
123.11716	0.5
128.06190	1.0
129.07011	1.9
130.07777	0.6
131.08539	9.1
133.09105	0.6
133.10112	10.5
135.11673	0.8
141.07016	0.5
143.08533	1.5
144.09351	0.8
145.06473	1.4
145.10104	18.0
147.08049	0.5
147.11607	2.8
157.06471	1.5
157.10072	1.0
158.07304	0.8
159.08047	1.2
159.11670	8.2
161.09627	0.7
161.13240	1.5
171.11763	0.6
172.08795	3.2
173.05975	3.3
173.09560	1.2
173.13255	4.9
174.06729	0.7
175.03885	1.6
175.07510	0.4
175.14754	0.5
177.09088	1.4
179.10591	2.8
183.11563	0.6
185.13332	0.6
186.06764	0.7
186.13997	2.2
187.07507	1.6
187.11191	1.0
187.14796	1.0
188.08298	7.6
189.09067	1.4
191.10677	2.2
201.09087	3.7
201.16359	100.0
202.16708	1.6
203.10640	4.7
203.17946	2.2
211.14767	0.9
215.07014	0.7
219.06506	1.1
219.17415	3.4
229.08565	2.5
229.12228	0.9
229.15883	2.7
247.07144	0.5
247.09642	10.5
247.12970	0.9
247.16898	31.4
247.24152	2.4
248.17065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.169
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05509	11.5
57.07053	2.8
63.01683	1.5
67.05489	8.1
69.07059	7.2
70.78203	4.0
73.40985	1.4
74.31814	1.3
75.93755	1.4
79.05465	4.8
81.07056	10.5
81.95228	1.3
82.78605	1.5
83.08584	4.4
91.05466	15.4
93.06534	2.1
93.07034	21.0
95.08600	19.2
97.10159	3.2
105.07019	27.7
107.08577	26.2
109.06525	2.8
109.10160	7.0
117.06986	5.7
119.08571	40.8
121.10123	9.8
123.11675	2.8
125.05977	1.5
130.07774	3.0
131.08545	29.7
133.10112	66.1
135.11681	2.5
143.08534	2.9
144.09305	1.6
145.06383	2.1
145.09030	3.0
145.10109	38.3
147.11673	8.0
149.05952	3.0
149.09613	4.4
149.13200	2.2
151.07578	3.0
157.10136	3.6
159.08000	5.6
159.11674	32.9
161.13217	6.0
163.07533	9.7
165.09094	3.0
172.12471	2.8
173.09590	5.7
173.13242	14.5
175.03873	2.5
175.14833	2.0
177.09091	36.6
179.10675	2.5
187.11134	4.0
187.14766	2.7
191.10603	3.9
201.16357	100.0
202.16685	2.0
203.17929	9.1
211.14850	1.8
219.17427	5.1
229.12334	1.5
229.15848	15.2
229.19441	2.5
244.56691	1.5
247.09668	3.6
247.14510	2.4
247.16884	35.8
247.20628	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	247.0961
Annotation	Norpinguisanolide
Peak:m/z	Relative Intensity
61.10365	0.3
64.87157	0.3
67.05495	0.5
69.57236	2.8
79.05509	0.5
81.07014	0.4
91.05445	1.4
93.07014	0.8
95.08555	0.5
103.05433	0.5
105.07004	0.9
115.05405	2.6
117.06995	2.4
119.08521	0.6
121.06511	0.8
123.04404	0.5
123.11687	0.4
128.06198	7.9
129.06978	7.3
130.04161	0.5
130.07782	1.7
131.04909	1.7
131.08548	2.0
132.05679	1.7
137.06023	0.5
138.06721	1.4
140.06171	0.7
141.06961	3.7
142.07745	0.9
143.04907	1.3
143.08537	4.0
144.05727	2.2
145.06459	13.9
145.10081	0.8
147.11598	0.4
151.07556	0.8
155.04900	1.0
155.06082	0.5
156.05643	2.3
157.06454	15.4
158.07242	13.8
159.04366	1.4
159.08023	8.2
159.11629	0.6
160.05139	1.4
160.08774	2.1
161.05966	1.6
162.06732	1.1
163.07524	0.9
169.06468	1.3
169.07710	0.7
170.07248	3.5
171.04401	1.0
171.08002	3.3
172.08806	31.6
173.05956	29.8
173.09430	2.4
174.06734	3.9
175.03888	0.4
175.07500	4.6
176.04643	0.6
177.09117	1.0
183.04445	0.5
185.05951	1.4
186.06720	7.4
187.07535	5.4
188.08292	76.9
189.05408	1.2
189.09073	7.8
191.07036	1.6
191.10608	1.9
193.95442	0.4
198.06705	1.5
201.09073	38.5
201.16371	2.2
202.09827	3.4
203.10635	46.8
204.04146	1.7
214.06232	2.2
215.06981	3.1
216.07765	2.2
217.05016	2.5
217.08604	1.1
219.06491	11.4
219.10077	1.1
229.08559	23.2
232.07338	2.1
233.07745	0.4
247.09622	100.0
247.24419	0.8
248.09952	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32416	0.4
55.05499	1.8
56.96548	2.9
57.03430	1.1
58.06599	0.7
58.99857	0.6
61.02912	1.8
63.28418	0.4
63.95735	0.4
65.03930	0.4
68.98280	0.5
69.03425	3.9
69.53712	0.4
70.99843	0.6
72.08143	1.9
73.02910	1.0
81.03406	1.1
82.42908	0.4
82.99877	1.6
83.04967	2.5
84.04517	0.9
85.01378	0.4
85.02886	3.6
86.09689	0.9
86.99372	0.4
97.02864	1.9
98.97572	1.3
99.04465	0.5
101.00866	17.4
102.00946	0.5
102.32738	0.4
103.00623	1.0
103.02432	1.2
104.10759	0.7
105.00361	0.4
109.02828	1.0
111.02905	0.5
111.04442	2.7
112.07591	1.2
113.00848	1.7
115.02398	2.8
116.98613	1.1
117.10239	1.5
118.03539	0.5
118.08621	0.7
119.01907	57.3
120.01969	0.9
121.01634	3.4
121.03477	0.7
124.02431	0.9
125.00887	0.4
127.02418	1.3
127.03906	2.0
128.98633	0.6
129.03944	3.5
130.08630	3.1
131.01901	8.3
133.01665	0.8
133.03444	5.1
135.05035	0.6
137.02936	13.0
139.02533	1.4
141.03947	1.3
142.03484	1.3
143.00174	0.5
143.01871	8.6
144.98042	0.7
145.01694	0.8
145.03444	10.6
145.04729	0.7
145.04948	0.6
146.99603	0.6
147.03197	0.9
147.05003	8.8
148.05072	0.5
149.02954	1.2
151.02414	1.6
151.04611	0.5
153.03880	0.5
155.01875	1.3
157.01526	0.8
157.03458	12.5
157.55783	0.7
158.03603	0.4
158.06578	0.7
159.01392	1.3
159.03162	0.7
159.05026	2.4
160.02147	0.4
161.02940	25.3
161.06564	0.9
162.03070	0.5
162.99117	0.7
163.02698	2.9
163.04494	1.7
165.04034	0.4
165.06099	2.6
166.56277	0.6
167.01897	1.3
168.04984	0.6
168.99849	0.5
169.03448	19.5
170.03589	0.5
170.06642	0.6
171.01385	1.6
171.05037	3.0
173.02957	3.8
175.02792	1.6
175.04514	8.2
177.00714	0.5
177.04332	0.5
179.03961	0.9
181.00139	0.7
183.05031	1.1
184.04507	0.7
185.02954	8.4
185.06575	0.4
186.03030	0.4
187.00851	1.6
187.02737	3.8
187.04480	20.6
188.04793	0.8
188.07547	0.7
189.06125	1.8
191.04019	1.6
193.03488	1.1
198.06104	0.6
199.02710	1.1
199.04521	0.7
201.00790	0.6
201.02464	3.3
201.04059	0.5
201.04366	0.4
201.06029	3.1
201.15965	1.3
203.03973	2.2
205.00185	1.1
205.03751	1.1
205.05563	2.9
208.04601	0.4
210.06076	1.0
211.04474	2.6
212.07652	4.6
215.00371	3.5
215.03941	1.4
217.01953	0.9
217.03787	0.6
219.03470	1.1
221.04993	0.5
223.01253	2.8
223.04654	0.9
223.06726	1.8
224.04050	4.0
224.07811	0.5
229.03467	0.7
229.05463	3.3
230.08670	1.0
241.02258	0.5
245.05078	2.4
247.04523	6.1
247.06622	96.6
247.16463	6.4
248.06880	3.6
265.07666	100.0
266.07846	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	247.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80062	1.0
55.05507	1.1
69.03418	2.0
69.61845	7.7
69.62234	1.4
73.02900	1.1
82.99834	2.2
83.04956	3.2
85.37086	0.9
97.02814	1.0
97.86279	0.9
98.20831	1.4
101.00870	23.0
103.00622	1.6
105.00311	1.1
111.04392	4.7
111.28677	0.9
113.00848	2.9
115.02392	2.9
119.01904	77.1
120.02002	1.6
121.01651	4.7
127.02378	2.5
129.03961	3.5
131.01891	10.6
133.03424	4.5
137.02921	15.7
139.02510	2.1
141.03920	1.5
142.03503	2.4
143.01886	11.9
145.03448	14.4
147.03160	1.3
147.05002	3.4
151.02406	2.1
155.01855	1.8
157.03432	17.2
159.01329	1.3
159.03249	1.7
159.05005	3.1
161.02945	32.6
163.02669	1.5
163.04500	2.9
167.01988	1.9
169.03445	33.2
171.05032	5.7
173.02927	3.8
175.02869	2.3
175.04498	11.5
182.25461	1.0
185.02931	10.8
187.02705	4.7
187.04478	32.9
188.04665	1.2
189.06082	1.6
191.04047	1.1
199.02690	2.0
203.03996	4.7
205.03751	1.4
205.05539	3.2
211.04457	3.2
223.06554	2.9
229.05582	3.0
245.31506	1.0
247.06610	97.1
248.06696	2.5
265.07654	100.0
266.07846	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	247.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05489	1.4
56.96555	4.0
57.03420	1.2
58.72465	0.3
58.99846	0.8
59.86806	0.3
61.02904	1.0
64.50009	0.3
69.03422	3.0
70.21757	1.7
70.99843	0.4
71.04954	0.5
73.02902	1.2
77.00883	0.7
81.03393	1.4
82.99436	0.5
82.99878	1.1
83.04973	4.0
84.08129	0.8
84.96037	0.4
85.02887	2.5
86.09689	1.4
97.02886	2.0
97.06534	0.3
98.20921	0.6
98.97566	4.2
99.04446	0.7
101.00863	13.4
103.00635	0.8
103.02434	0.9
109.02824	0.6
111.04413	4.2
113.00857	1.2
115.00647	0.4
115.02422	2.0
116.98610	2.8
119.01904	57.9
120.01189	0.3
120.01959	1.9
121.01639	1.9
121.02360	0.4
127.02377	0.8
127.03890	1.2
128.98572	0.7
129.03944	1.6
129.05495	0.4
131.00200	0.5
131.01888	7.8
131.05525	0.6
133.01645	0.7
133.03438	5.1
134.99649	1.4
137.02939	15.2
137.04012	0.8
138.03195	0.4
139.02509	0.8
141.03951	0.7
142.03496	1.7
143.01872	8.8
144.98093	0.4
144.99857	0.7
145.01649	1.2
145.03444	7.0
145.04974	0.6
146.99631	0.9
147.03214	0.9
147.04987	2.3
149.01180	0.4
149.02930	1.3
149.06592	1.0
151.02417	1.0
151.04514	0.6
155.01878	1.0
156.98152	0.4
157.01584	0.5
157.03452	12.0
158.03513	0.6
159.01398	2.1
159.03238	0.5
159.05011	1.5
160.04538	0.5
161.02937	27.7
161.06569	0.8
162.03085	1.2
163.02715	2.0
163.04507	1.5
165.00697	0.7
165.04353	0.4
165.05971	0.7
167.01936	1.5
168.99821	1.7
169.03444	16.7
170.03552	0.6
171.01373	0.5
171.05003	3.9
173.02940	4.2
174.99118	1.4
175.02913	0.9
175.04472	11.4
175.08026	0.6
179.02361	0.4
179.04024	1.2
179.07585	0.5
183.01314	0.7
183.04962	1.1
184.04440	0.6
184.62894	0.3
185.02937	8.7
185.06578	1.4
187.01051	3.2
187.02757	2.0
187.04485	24.2
188.04681	1.3
189.00648	0.4
189.04440	0.4
189.06085	1.5
191.02443	0.6
191.04018	2.4
191.05606	0.4
192.04778	0.5
192.10501	0.3
193.00188	0.7
193.03566	0.8
196.99323	0.9
199.02737	0.5
199.04482	0.5
201.00725	0.7
201.02438	2.6
201.06134	1.1
201.15958	0.4
203.03990	4.2
203.07465	0.7
205.00203	1.0
205.01891	0.9
205.03807	1.9
205.05577	3.5
206.02927	0.6
210.06027	0.5
211.04485	2.0
212.07690	0.5
215.00314	4.0
217.05573	0.8
219.03549	0.7
221.05078	0.8
223.01254	2.4
223.04874	1.8
223.06723	1.1
224.03998	2.2
229.01962	0.5
229.05473	2.7
232.06450	0.4
233.01387	0.6
247.06647	76.1
247.16321	2.1
248.06705	2.9
265.07666	100.0
266.07849	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
56.96576	0.8
57.03427	1.7
58.81747	0.8
58.99862	1.2
61.02927	4.3
62.72025	0.7
69.03435	3.8
69.66589	5.7
72.08158	4.3
73.02911	1.1
81.03387	1.3
82.99850	2.0
83.04970	2.2
84.03299	0.8
85.02901	4.1
86.09687	2.8
97.02876	2.7
100.60105	0.7
101.00868	24.4
103.00639	1.5
103.02452	1.7
104.10734	1.0
109.02874	0.9
111.04454	3.2
113.00832	1.7
113.02307	1.3
115.02413	4.6
117.03990	0.9
117.10229	1.8
119.01909	88.1
120.02001	1.8
121.01642	4.7
121.03492	0.8
124.03690	0.8
124.98422	0.9
127.02427	0.9
127.03889	2.2
129.03964	3.8
130.08595	1.1
131.01897	10.5
132.10115	0.8
133.01672	1.3
133.03452	9.5
135.05003	0.9
137.02945	16.2
139.02531	1.7
141.03951	1.7
142.03468	1.6
143.01880	11.3
144.99820	2.4
145.01669	1.4
145.03445	13.7
147.01396	1.0
147.03215	1.7
147.05002	11.2
149.02966	1.9
150.05548	0.8
151.02399	1.0
151.04485	1.2
155.01808	1.3
157.01666	1.7
157.03438	13.0
159.01407	1.3
159.03143	1.1
159.05025	3.9
161.02942	28.2
163.02649	1.4
163.04521	1.9
165.06136	4.9
167.01889	2.0
167.03178	1.5
168.99802	4.6
169.01170	1.7
169.03439	27.1
171.01387	1.6
171.05025	4.5
173.02924	3.8
175.02734	2.7
175.04507	9.8
177.02534	1.2
177.04263	0.7
179.03923	0.9
181.01942	0.7
181.03508	0.8
183.04965	0.8
184.05986	0.8
185.02965	8.1
187.00932	10.2
187.02710	3.9
187.04472	23.4
189.02451	1.1
189.06084	1.6
191.04013	1.9
195.59004	0.8
196.99265	1.7
197.03014	1.2
199.00867	0.7
199.02670	1.4
199.04442	1.5
201.02440	5.1
201.04086	1.0
201.05962	1.4
201.12454	1.5
201.15996	1.8
203.03944	4.2
205.01973	2.0
205.03862	1.3
205.05533	4.3
211.04514	2.4
212.07654	1.9
215.00360	18.0
215.03877	4.8
217.01952	1.3
219.03497	2.1
221.05078	1.3
223.04723	0.9
223.06631	2.9
224.03966	3.6
229.03249	21.4
229.05518	2.0
229.12025	0.9
233.01399	1.3
238.01787	0.9
247.04248	100.0
247.06680	74.9
247.16437	7.4
265.07657	73.5
266.07822	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.8
55.05493	2.5
56.96551	2.7
57.03415	4.5
58.99844	2.4
61.02911	6.7
65.71273	1.2
68.98281	1.0
69.03422	10.2
69.69347	2.3
69.69760	5.4
69.96410	1.0
70.02914	1.7
70.06571	3.5
71.04961	1.7
72.08135	1.4
73.02898	7.9
77.00887	3.3
78.48685	1.0
81.03388	4.5
82.06551	4.7
82.99849	2.7
83.04961	3.3
84.04478	2.8
84.08116	1.7
85.02888	16.8
85.06530	1.5
86.03232	1.3
86.06071	1.3
86.99290	1.6
87.04465	1.9
89.00890	1.3
97.02873	10.4
98.03248	1.2
98.21217	3.9
98.97556	2.4
99.04399	1.6
101.00861	26.7
102.02400	1.2
103.02424	2.0
103.03094	1.4
105.00359	3.0
109.02904	3.4
110.03147	1.7
110.03946	1.1
110.46820	1.2
112.05051	2.9
113.00861	4.5
113.03456	7.4
113.05408	2.5
114.83002	1.1
115.02397	4.1
115.03880	1.7
116.07075	1.5
116.98599	1.7
117.04008	1.1
118.02866	1.1
118.03638	1.6
119.01904	100.0
120.01989	3.0
121.01650	2.0
121.03506	1.6
124.02783	1.1
127.02404	2.1
127.03890	4.4
129.03969	3.1
130.04994	1.0
131.01881	18.6
132.01984	1.1
133.03444	10.3
137.01947	1.5
137.02934	17.9
142.03389	4.8
143.01875	16.0
145.03439	26.9
145.05045	2.3
146.99568	1.3
147.01350	4.0
147.03996	1.3
147.05009	7.0
149.02908	4.1
149.04750	1.5
151.04559	1.7
153.01788	5.9
153.03931	1.8
154.04727	2.2
154.54774	4.2
155.01875	25.1
155.04562	3.1
155.05551	3.2
156.02695	1.2
157.03447	22.3
159.05014	2.6
161.02940	38.2
162.03294	1.9
162.56429	1.4
163.02939	2.1
163.04326	12.9
163.55345	4.7
164.05011	2.4
165.06091	2.7
167.01901	11.0
167.05724	1.1
168.05040	1.6
169.03439	4.6
171.05032	6.6
171.56941	1.7
172.04901	2.3
173.02939	41.6
173.06606	1.7
174.03166	4.1
175.04486	8.5
175.06152	2.6
177.04242	1.0
177.06033	3.1
179.01903	4.5
179.04074	1.7
181.03769	2.0
183.05112	2.5
184.02142	1.1
184.04556	3.3
184.06232	1.1
185.02928	78.4
185.56227	1.0
187.04526	10.7
189.06041	3.3
191.04028	3.5
192.05559	1.3
195.07098	1.5
196.04498	1.9
197.02933	29.3
199.04442	2.0
199.08516	1.5
201.05995	1.9
201.12390	2.1
203.02084	1.0
203.03975	24.8
205.03850	1.9
205.05553	5.1
205.07285	1.5
206.05734	4.8
207.05289	4.1
208.04504	4.0
213.02426	1.3
215.04004	9.3
217.05568	1.8
221.03091	1.8
221.05038	14.6
222.05156	1.3
227.03929	5.5
233.05061	1.5
244.57623	1.3
245.05025	69.4
245.08864	8.6
245.11491	2.5
245.14975	4.1
263.06067	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	245.0056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.2
55.05496	1.6
56.96559	6.7
57.03426	6.0
58.99867	3.0
61.02899	4.5
68.98298	1.8
69.03426	12.1
69.54145	7.7
69.54567	3.4
70.06580	7.8
70.99835	1.8
71.04974	2.3
72.08152	1.7
73.02905	10.3
74.75002	1.1
77.00888	3.3
79.86862	1.3
81.03395	4.6
82.06581	6.3
82.99844	4.0
83.04971	3.4
84.04491	4.7
84.08171	2.0
85.02897	17.7
85.06538	1.7
86.03225	2.5
86.99325	1.8
89.00860	1.5
91.02320	3.3
97.02877	15.0
98.97555	6.1
99.04443	2.5
100.11254	2.1
101.00872	35.9
103.02402	4.6
105.00340	2.2
109.02878	4.4
110.03940	1.9
111.04470	2.4
111.54647	1.2
112.05071	8.8
113.00834	4.4
113.03440	6.6
113.04716	2.1
113.05406	7.3
115.02430	7.0
115.03890	1.3
116.03894	1.3
116.07104	6.7
116.98565	2.7
117.03970	2.1
118.02803	3.3
118.03674	3.7
119.01906	100.0
120.01988	3.5
121.01636	1.7
121.03452	2.6
125.04497	1.3
125.07096	1.7
127.02379	3.6
127.03968	6.4
128.03055	1.4
128.10637	1.8
129.03949	5.5
131.01897	23.0
133.03412	9.3
134.99715	1.5
135.04988	1.5
137.02942	12.7
139.02330	2.3
142.03458	3.0
143.01889	20.8
144.08087	2.1
145.01665	1.7
145.03442	33.2
145.04723	2.1
145.07550	1.6
146.04944	2.1
147.01369	4.2
147.03183	2.1
147.05002	17.1
149.02919	3.1
149.04768	4.6
153.01820	10.4
153.03894	1.7
153.55864	2.9
154.03772	4.1
154.04768	2.1
154.05704	2.6
154.54793	5.2
155.01877	26.1
155.04446	2.2
155.05621	5.9
156.02631	1.7
157.03435	25.1
158.08115	1.9
159.04993	3.6
161.02937	52.8
161.07043	2.2
162.56477	2.5
163.03024	2.4
163.04337	14.1
163.06287	1.6
163.55298	4.7
164.05096	4.9
165.06039	3.7
167.01860	13.7
169.03441	4.6
171.05054	8.1
171.57037	2.0
172.04955	3.0
173.02950	37.7
174.03058	3.0
175.04492	14.7
177.06026	5.0
179.01906	4.4
179.04044	1.3
181.03566	2.9
182.05652	1.4
183.05112	3.1
184.04572	1.4
185.02937	82.9
187.04462	11.0
188.97084	2.9
189.06030	2.8
190.54341	1.3
191.03966	4.2
191.05569	1.3
195.07048	1.4
195.11311	1.7
196.04674	1.7
197.02916	29.2
199.04463	2.9
199.08493	2.0
201.05905	2.1
201.12256	1.7
203.02258	2.2
203.03990	23.9
205.03845	2.4
205.05556	5.8
206.05748	6.0
206.98230	1.8
207.05362	5.1
208.04503	3.1
215.03993	11.1
217.05504	3.6
220.57578	1.8
221.05045	15.3
223.04723	1.4
224.07050	3.6
225.07933	2.1
227.04022	6.7
227.08011	2.5
227.10301	5.9
227.13750	2.3
235.06581	1.7
245.00890	3.0
245.05029	91.9
245.08977	12.2
245.11366	3.3
245.14828	8.5
247.06693	2.0
263.05981	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	244.2056
Annotation	Phencyclidine
Peak:m/z	Relative Intensity
55.05505	1.1
56.56552	0.2
57.07057	0.2
58.06585	0.2
62.06077	0.1
67.05483	0.5
69.07054	0.9
69.29963	0.3
69.30371	1.4
70.03099	0.1
70.06575	0.4
71.08616	0.2
79.05497	0.4
81.07029	1.5
84.08105	0.3
91.05460	0.6
93.07027	1.2
95.08598	1.5
96.08116	2.9
98.09679	0.7
100.89371	0.1
105.07021	1.4
107.08589	1.1
108.08104	0.5
109.10136	0.8
110.09676	0.2
117.06928	0.3
119.08546	1.3
120.08064	0.3
121.08889	0.9
121.10112	1.0
122.09660	1.7
123.11713	0.4
124.11177	0.2
129.06946	0.2
131.08539	0.7
132.92432	0.1
133.10057	0.7
134.09595	0.2
135.11668	0.3
136.11169	0.2
142.07777	0.2
143.08522	0.4
145.10095	1.7
146.09601	0.3
146.76329	0.1
147.11671	1.3
148.11180	0.6
157.10110	1.0
159.11659	1.0
160.11201	1.1
161.13222	0.4
162.12753	0.7
171.11644	1.0
172.11177	0.2
173.11958	0.2
174.12721	1.4
175.13492	0.3
176.14322	0.4
185.13217	0.6
186.12708	0.3
187.14838	2.5
188.14299	0.7
189.14905	0.1
199.14989	0.2
200.14365	0.7
201.14867	0.2
202.15868	2.4
203.17883	0.4
214.15880	3.1
215.16672	0.3
215.32222	0.1
216.17381	0.2
227.18045	0.8
228.17482	0.4
229.18195	1.1
242.19020	0.3
244.20569	100.0
245.20903	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.3
56.96554	4.9
57.03414	3.6
58.99860	2.5
60.04523	1.8
64.31834	1.2
69.03418	4.2
70.99867	1.5
71.01346	2.3
73.02897	4.2
73.06564	1.3
74.52251	1.2
76.02078	1.2
77.00893	7.5
81.03404	3.9
82.99871	1.4
84.08152	1.4
85.02893	3.2
93.89752	1.1
95.01936	4.8
97.02867	4.2
98.97562	4.0
100.02455	11.0
101.00873	11.2
105.00336	1.4
107.97069	1.1
109.02845	3.2
113.00834	1.4
113.02557	1.2
115.02413	4.1
116.98615	3.2
117.02145	2.6
118.01091	2.1
118.03544	8.7
119.01904	70.7
119.50340	1.6
120.01998	5.4
121.01668	3.6
122.00566	1.7
124.02271	1.4
125.01913	2.2
126.02702	2.0
127.00790	1.6
127.02394	2.9
128.00783	1.6
128.50734	1.4
129.00620	1.6
129.02092	1.8
130.51006	1.4
131.01096	1.8
131.01915	16.9
131.50995	1.7
132.02693	2.5
132.05034	3.7
133.01604	2.7
133.03426	4.6
134.99648	3.0
135.02147	1.3
135.05537	2.1
136.00015	2.1
137.02937	30.2
138.02824	1.6
139.00822	2.1
139.02460	2.1
140.02495	2.1
142.01155	1.7
142.03473	15.5
143.00264	1.5
143.01878	11.1
144.02667	2.6
145.01659	2.9
145.03450	24.7
147.01373	3.1
148.32729	1.4
149.01131	3.0
149.02895	2.3
152.02522	2.9
152.99356	1.7
153.00629	2.0
153.02408	2.1
153.06544	3.8
154.02165	6.7
155.00430	2.4
155.01921	4.7
156.02754	3.0
157.00410	1.5
157.03445	19.2
159.05025	2.2
160.04533	7.9
161.01410	2.7
161.02931	32.3
162.01100	1.8
162.99318	1.7
163.02637	1.6
163.04543	5.2
164.99380	1.9
166.01407	1.9
167.01817	1.6
168.02928	1.9
168.05057	5.9
169.03508	1.3
169.49400	1.5
170.01476	1.7
172.03229	1.8
173.03040	12.1
174.00128	1.5
175.04477	10.5
175.51735	1.3
176.00906	2.4
176.50989	4.0
177.00914	7.3
178.01036	16.1
178.49951	3.1
179.00638	5.4
179.03981	26.7
179.99193	1.9
180.05017	2.5
181.00121	2.3
181.50137	2.6
181.52762	2.3
181.99991	2.6
184.04578	4.0
185.02921	8.9
186.51230	2.3
187.01135	2.2
187.04364	2.0
188.00822	2.5
188.02562	2.0
188.51492	2.5
189.00967	2.4
189.99030	2.5
190.00732	4.5
190.02658	1.3
190.50891	1.7
191.04007	2.6
192.98508	2.5
193.00243	1.8
193.52779	1.9
194.52507	4.7
196.02187	2.2
197.99045	3.9
198.01988	3.2
198.06139	4.9
200.51721	4.1
202.00644	5.6
202.05673	4.1
202.50720	3.5
202.53345	1.6
203.00662	3.4
203.02423	2.4
203.04013	10.3
208.51237	1.9
209.01593	5.6
209.52263	10.7
210.02376	3.0
210.99352	2.7
211.01199	4.5
211.51694	2.6
211.53822	10.9
212.03796	4.7
214.96513	1.8
215.00479	1.7
215.04002	2.8
217.01154	1.6
217.51619	1.6
218.01706	4.4
218.04184	4.3
218.47821	2.0
218.50717	1.6
219.02000	4.5
220.02112	21.0
220.04224	2.3
221.01698	16.4
221.05013	30.7
221.51157	2.1
222.02446	2.4
223.01036	5.3
223.02922	2.3
223.51259	5.0
224.02682	2.3
224.04616	2.3
226.00983	2.2
226.05550	2.1
230.02023	1.8
230.48662	1.6
230.51675	4.7
230.98558	1.8
232.01382	4.4
232.51889	1.6
232.54027	2.8
233.03278	3.1
234.51857	1.6
234.99702	1.6
239.03778	3.0
239.06082	28.6
240.99323	1.5
241.49710	2.2
242.05547	3.7
243.52238	1.5
244.01942	8.0
244.06871	20.9
245.05112	10.2
262.03180	100.0
262.07370	19.0
263.02844	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	243.1588
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.03930	4.3
55.01859	5.4
55.05496	11.6
57.03424	15.7
61.02911	4.5
65.03924	4.4
67.05492	15.6
69.03429	13.7
69.03777	2.5
69.07050	8.6
71.04990	29.7
71.61441	3.2
71.79671	2.1
72.08185	2.0
73.02911	3.8
73.06567	2.3
79.05485	22.7
80.76524	2.3
81.03413	9.3
81.07052	34.7
83.04974	23.2
83.08620	5.7
84.04512	2.6
85.02903	10.4
85.06541	8.6
86.09698	5.7
91.05463	37.7
93.07037	49.5
93.07619	3.1
95.04959	56.4
95.08591	35.7
97.02904	6.8
97.06521	24.1
97.10207	2.4
98.97582	6.1
99.04440	29.6
102.84930	2.6
103.05462	2.3
105.07017	90.1
107.04953	5.9
107.08586	78.8
109.02870	10.4
109.06487	23.1
109.10135	33.6
110.97579	2.2
111.04434	10.7
111.08095	8.4
115.03950	2.6
115.05511	2.9
116.98642	5.3
117.00663	2.0
117.06995	13.5
119.04942	2.8
119.08566	87.9
120.08094	5.0
121.02892	9.6
121.06511	6.7
121.10131	46.9
123.04404	16.3
123.08059	28.8
123.11725	9.0
125.02345	2.4
125.06003	3.5
125.09619	11.0
127.03915	6.2
128.06244	3.1
130.07784	5.1
131.08533	18.5
133.02834	3.7
133.06448	3.7
133.10118	54.3
134.99605	2.5
135.08035	12.4
135.11658	17.0
137.06009	9.4
137.09593	25.6
139.07541	4.7
139.11192	10.2
140.01694	2.7
140.04626	19.2
141.05443	8.5
143.08571	8.8
144.09312	3.3
145.10104	46.8
147.08060	4.3
147.11615	16.4
149.09608	40.1
149.10742	3.8
149.13303	4.6
151.07547	8.8
151.11208	10.3
153.01871	6.7
153.05461	2.8
153.09087	12.0
155.07034	24.7
155.10669	3.2
156.09320	5.5
158.99695	3.8
159.11676	51.5
161.09656	5.5
161.13284	14.8
163.11172	43.0
165.05470	7.5
165.09097	6.6
165.12776	8.2
167.10658	72.1
169.04924	11.1
169.08643	6.5
169.12247	16.8
171.06532	2.7
171.11710	12.5
177.00792	6.8
177.12735	39.1
179.07071	4.4
179.10612	2.6
179.14265	4.8
180.04225	6.9
181.04924	16.8
181.12250	10.6
183.06642	3.3
183.10226	6.1
189.12746	19.3
193.04968	8.3
195.06491	4.5
195.13820	13.7
197.08110	4.6
200.09540	3.1
207.06467	5.4
207.10306	3.6
207.13792	63.7
207.15717	3.8
213.07736	3.4
213.14827	12.1
214.08723	2.5
215.11807	3.8
222.08359	10.0
223.09164	2.3
225.07541	16.1
225.11267	4.6
225.14835	100.0
231.08888	4.6
243.06339	4.0
243.08511	10.8
243.11316	19.4
243.15932	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	243.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	7.2
55.05507	14.1
57.03429	3.3
57.07058	9.8
64.88642	2.4
67.05489	25.6
69.03426	3.1
69.07058	15.1
71.04975	5.7
71.08620	7.5
72.08959	3.0
79.05489	12.9
81.03378	3.7
81.07045	100.0
83.04970	7.6
83.08595	6.8
84.26420	2.4
85.06542	8.1
86.38194	2.7
91.05462	25.3
93.07036	16.0
95.04955	4.6
95.08592	22.9
97.06510	10.9
99.08076	4.4
100.07793	2.5
101.27938	2.7
105.07021	34.8
107.08576	15.7
109.06509	7.7
109.10117	4.3
109.44565	2.5
119.08582	34.4
121.10120	18.3
123.08030	3.5
123.11689	32.4
127.07528	3.6
131.08548	4.9
133.10049	6.8
137.13219	5.4
141.09131	3.3
142.75397	2.7
147.11665	81.5
157.10109	3.8
161.28438	2.6
162.15991	2.3
165.12718	74.4
175.11052	6.3
183.10129	2.9
185.13043	4.2
193.12230	12.1
197.15324	19.4
211.13254	3.4
217.16382	3.4
219.17688	2.8
229.14275	7.7
242.28516	3.9
243.06461	4.1
243.10292	4.6
243.13663	5.2
243.15741	8.0
243.17741	6.3
243.21112	5.8
243.28734	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.4
55.01857	7.7
55.05494	2.9
56.96554	6.1
57.03424	13.3
59.04997	2.5
61.02919	18.4
69.03419	30.2
69.57513	9.6
69.57934	2.9
71.04965	5.9
72.80872	1.5
73.02907	16.9
74.06062	1.8
80.04998	6.1
81.03399	11.5
81.05341	3.9
81.07047	2.0
83.01362	2.3
83.04969	5.8
84.08154	3.7
84.96017	2.7
85.02413	3.4
85.02895	48.6
86.03219	2.9
87.04439	3.7
91.03912	2.3
94.02665	2.8
95.01330	3.8
95.04967	1.8
97.02879	38.9
98.03230	1.8
98.97564	11.1
99.04448	6.0
101.00870	10.8
102.00968	3.1
102.02388	2.6
103.02417	6.9
108.37940	1.5
109.02832	8.9
109.06577	2.2
110.03965	2.2
110.07213	1.7
111.02894	3.1
111.04420	2.1
112.05092	4.1
113.00812	2.9
113.07094	1.9
114.81957	1.8
115.02404	5.1
115.03909	2.2
116.03931	4.7
116.98611	5.2
117.02095	1.6
117.03995	3.5
117.04750	6.2
118.01777	1.7
119.01900	31.5
120.01970	9.5
121.01680	2.1
121.03481	2.4
122.03976	3.0
123.02948	2.0
123.04601	2.1
125.04504	1.8
127.03912	13.7
128.02307	3.2
128.98640	2.1
129.03955	4.5
129.05498	2.3
131.01889	13.2
131.04565	2.4
131.05545	3.3
132.01915	3.3
132.03444	6.2
132.55319	2.1
133.01581	1.8
133.03488	14.4
135.03177	2.1
137.02916	4.4
137.05972	2.4
138.03041	2.9
138.05283	2.1
140.04744	6.4
143.01898	5.1
143.03500	1.9
143.54276	2.4
144.99747	2.0
145.03442	11.3
145.04907	9.0
146.05022	4.9
147.01350	4.7
147.04993	29.5
148.05164	2.1
149.02812	3.5
149.55885	1.8
151.04556	2.0
152.04985	7.9
153.01813	24.6
153.05768	21.3
153.55849	3.3
154.02077	2.5
154.04793	3.1
155.01831	4.0
155.05589	3.6
155.07007	6.2
156.06223	2.7
157.03459	7.7
158.99667	2.6
159.04993	12.3
160.05209	1.6
161.01131	3.2
161.02898	9.0
161.05508	100.0
161.55580	31.0
162.01753	1.9
162.05240	4.5
162.06520	15.2
162.56381	3.1
163.02655	2.4
163.04398	3.3
165.06024	6.3
169.03488	5.8
169.05365	2.1
170.06044	55.8
170.56171	15.9
171.07056	9.1
173.02924	10.0
173.06564	4.0
173.57103	1.9
174.02977	1.8
175.02766	1.8
175.04474	4.9
176.06062	3.1
177.00732	2.1
177.06010	11.5
178.04752	2.4
181.04941	3.1
181.56825	12.0
182.06967	5.6
182.57614	2.3
183.04970	3.1
185.02968	4.2
185.06711	3.4
185.08310	1.9
187.04553	3.7
189.02316	2.5
189.06081	4.9
192.02722	2.6
195.07158	7.4
197.09999	5.4
201.00713	2.0
201.02405	6.0
201.06058	5.2
202.02657	7.2
202.05917	2.7
203.02287	3.5
203.04059	5.2
203.07607	26.2
204.07837	5.3
205.03848	2.5
205.05577	7.0
207.03473	3.0
213.03426	2.5
213.06116	3.7
215.01967	3.4
215.04028	2.1
215.07643	4.7
219.01848	4.5
219.03651	2.4
219.07120	5.7
220.03601	14.7
220.99821	2.1
221.03191	4.9
221.04950	3.4
222.03731	2.5
222.05722	3.7
223.06551	2.7
223.08968	2.5
229.03706	2.9
231.55919	1.7
233.08771	2.6
243.03473	9.9
243.06818	3.1
243.08786	6.1
243.10632	6.0
243.13144	2.1
243.16039	7.1
261.02930	9.3
261.08286	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	243.086
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03933	3.6
55.01866	2.4
55.05514	1.4
56.96530	1.7
57.03429	1.8
61.02920	12.0
63.88223	0.9
65.03938	6.6
67.05503	6.1
69.03423	5.2
69.07055	1.7
70.74146	1.3
71.01335	0.9
71.04973	1.2
72.93777	1.1
79.05483	6.9
81.03402	3.7
81.07053	7.1
82.04176	1.5
82.11327	0.8
83.04961	1.1
85.02892	5.2
91.05465	16.8
93.03397	2.7
93.07055	2.4
94.04168	1.6
95.04955	16.9
95.06063	3.0
95.08608	1.7
97.02882	3.1
97.06521	4.1
97.10136	0.8
98.97580	3.1
99.04449	2.4
105.03381	3.1
105.04504	1.2
105.07036	2.5
107.04932	8.6
107.08595	1.3
108.02103	1.4
109.02861	2.9
109.06516	16.4
109.10148	2.0
109.89601	0.8
110.03633	3.0
111.04411	3.5
113.07110	2.1
115.59261	0.8
116.98595	2.5
119.04936	7.4
119.08569	1.2
121.02849	2.4
121.06500	1.6
121.10127	3.1
123.04423	16.0
123.08078	1.3
123.11695	1.8
125.02324	5.0
125.05959	2.9
127.03908	2.3
129.35803	0.9
131.04907	1.1
133.02829	11.6
133.10121	2.2
134.03564	1.0
134.99576	1.4
135.04404	5.5
137.05966	22.2
137.07039	1.1
137.09560	1.0
138.03085	1.9
139.03889	1.2
140.04669	99.3
140.87885	0.8
141.05316	1.2
142.02620	2.1
146.03555	1.5
147.04422	7.9
147.11734	1.1
148.01459	0.9
149.05902	1.4
151.03868	1.4
151.07573	1.4
152.04694	2.9
153.01791	2.2
153.05452	2.3
155.07014	100.0
163.03865	3.1
165.01804	1.6
165.05457	19.8
165.09123	0.9
167.07014	2.2
169.04971	1.6
171.06514	6.7
173.08072	10.3
177.00693	1.6
179.07024	14.3
180.04155	19.0
181.04938	78.2
182.05542	1.0
183.06554	4.7
184.03621	2.1
193.03244	1.8
193.04948	27.5
193.06709	1.6
195.06511	12.6
196.07332	1.4
197.08075	10.1
197.58202	0.9
207.06506	27.3
207.13768	1.3
211.14265	1.0
223.09134	0.9
225.07510	25.9
225.14636	2.0
231.05090	2.5
232.16214	0.9
243.06488	1.7
243.08568	24.1
243.13811	1.4
243.17331	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	243.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72658	0.1
56.96566	0.1
69.48741	0.1
70.78264	0.4
82.99875	0.3
83.61053	0.1
87.50059	0.1
98.97581	0.8
101.00871	3.0
116.98619	0.5
119.01908	14.0
134.99797	1.0
137.02937	3.7
140.98778	0.2
142.03496	0.4
153.00906	0.5
158.99857	1.6
160.04578	0.3
165.99635	0.2
175.03044	0.3
177.00932	27.0
178.01038	1.2
182.99762	0.5
193.04079	0.3
195.02007	0.6
197.00603	0.1
200.02534	0.5
201.00891	1.7
201.02534	0.1
202.01125	0.2
209.99011	0.1
214.95509	0.5
217.04059	3.5
218.03976	0.2
219.01984	30.0
220.02104	2.9
221.02045	0.3
225.00795	2.3
227.99620	0.1
232.96539	0.4
234.00636	0.3
237.03197	0.2
237.97014	0.1
238.03307	0.1
240.05505	0.2
242.03583	0.6
243.01933	7.5
244.02127	0.1
260.04556	0.2
261.03027	100.0
262.03180	2.9
263.03430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01866	1.5
55.05492	1.9
56.96554	1.0
57.03411	3.2
61.02631	1.4
61.02917	14.4
65.03940	9.0
67.05483	5.0
69.03416	5.4
69.07047	2.7
69.64401	4.0
69.64819	4.3
70.06583	1.5
71.01349	1.1
71.04961	2.1
72.93775	1.7
73.77193	1.1
74.06048	1.3
78.07344	1.2
79.05496	7.0
81.03409	4.0
81.07050	10.6
82.04185	2.9
83.04942	2.5
83.08572	1.4
84.04479	1.1
84.08149	1.5
85.02887	7.5
90.94789	2.3
91.05477	19.9
93.03395	1.1
93.07021	4.8
93.07547	1.0
94.04172	1.6
95.04964	19.2
95.08574	4.0
97.02860	3.0
97.06500	3.8
98.97573	5.8
99.04433	4.5
105.03345	3.2
105.07023	3.2
107.04947	7.9
107.08556	3.7
108.02070	1.3
109.02875	4.7
109.06499	17.2
109.10145	2.5
110.03663	2.5
111.04417	3.5
116.98593	5.5
119.04905	6.8
119.08567	3.7
121.02847	7.5
121.06467	2.4
121.10125	4.1
122.03632	1.7
123.04439	17.6
123.08012	2.2
125.02361	5.3
125.05981	3.7
127.03901	2.3
131.04903	1.4
131.08463	1.2
133.02823	10.7
133.10104	4.6
134.99600	2.1
135.04437	5.2
136.05054	1.3
137.05965	24.1
139.03889	1.3
140.04672	100.0
141.05396	1.2
142.02538	1.9
143.32356	1.2
144.00085	1.0
147.04370	8.6
149.09619	1.4
150.96931	1.6
151.03902	1.9
151.07448	1.5
152.04706	1.9
153.01784	4.4
153.05441	2.8
155.07014	99.4
158.99654	3.3
161.13284	2.3
163.03859	4.6
165.01825	1.7
165.05469	19.0
167.06992	2.6
169.04959	2.6
171.06512	6.7
173.08104	10.0
173.13254	1.3
177.00694	3.7
179.07010	11.7
180.04152	19.1
181.04941	76.8
183.06528	6.4
184.03661	1.5
187.07512	1.6
189.12712	1.7
193.04947	27.4
195.06499	11.2
196.09613	1.2
197.08102	12.7
197.79071	1.2
207.06497	29.6
207.13809	2.9
214.08603	1.5
215.06900	1.5
223.09067	6.6
225.07552	29.3
225.11037	2.3
232.09546	2.1
243.06293	2.3
243.08597	25.4
243.10966	1.5
243.15611	1.6
243.17754	1.3
261.20496	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.5
56.09742	0.8
56.96564	1.1
57.03427	17.7
58.03771	0.8
58.06580	3.2
59.04984	1.8
61.02922	6.1
66.57979	0.9
69.03425	4.7
71.01350	6.9
71.04964	3.5
71.21935	2.1
73.02908	7.1
75.04428	1.0
80.05006	8.8
81.03394	2.5
83.01323	2.2
83.04946	1.1
84.08118	1.2
85.02887	10.6
87.00811	1.2
87.04454	8.1
89.02377	6.1
95.01311	1.2
97.02863	4.2
99.04456	1.1
100.02460	1.9
101.00860	2.5
101.02360	18.6
103.03900	3.7
108.04208	1.0
109.02830	1.4
111.00771	2.6
113.02397	2.1
115.03913	35.0
118.03519	1.5
119.01888	6.1
119.03474	0.9
122.03989	1.0
126.00583	0.9
127.03903	3.1
129.01825	24.3
131.01880	2.0
131.03448	1.4
133.03413	2.0
133.04939	4.7
134.05933	1.1
143.01810	1.8
143.03368	15.0
145.03348	0.9
145.04970	2.8
146.04965	2.5
147.02904	1.3
147.04961	5.1
152.06998	2.3
155.05489	3.0
155.55605	1.3
157.01312	32.2
159.02916	1.4
159.04956	1.4
161.03020	1.8
161.04408	16.9
161.05553	6.8
170.04770	1.0
170.06017	5.6
171.02843	4.3
172.99344	2.1
173.02907	1.7
175.02327	1.5
176.06113	0.9
189.03917	100.0
196.00920	3.3
196.09653	10.5
201.06065	1.5
207.04967	8.6
209.94722	1.1
214.01935	1.7
219.01642	1.4
219.03502	2.3
224.07567	3.0
225.06061	2.1
228.03568	2.1
242.10260	9.9
242.15775	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	241.1545
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03939	0.3
55.01855	0.3
55.05500	0.5
56.05002	0.2
56.96548	0.4
57.03429	0.9
57.07069	0.2
58.06593	14.3
61.02914	1.8
63.15593	0.1
68.05019	0.2
69.03423	1.5
69.07064	0.2
70.06583	2.6
71.01305	0.2
71.04965	0.4
71.60427	0.2
72.08140	0.4
73.02904	1.0
79.05485	0.3
80.04556	0.2
80.05009	4.1
81.03397	1.1
82.06560	0.2
82.56792	0.1
83.04955	0.6
84.08131	8.2
85.02897	2.5
85.06517	0.4
87.04475	0.2
91.03934	0.2
97.02879	1.6
98.03089	0.1
98.06046	0.3
98.09666	1.3
98.97573	0.6
99.04428	0.5
100.02439	0.2
100.07612	0.2
100.11217	0.3
101.00871	0.7
103.02390	0.1
109.02878	0.5
114.05531	0.4
115.02405	0.3
115.03934	0.2
116.07063	0.7
116.98630	0.5
118.03523	0.2
119.01913	1.6
120.01959	0.2
124.07598	0.1
126.05504	0.2
126.09141	0.3
127.03931	0.9
128.10701	3.8
129.03058	0.1
130.08670	0.2
131.01898	1.1
132.03409	0.1
133.01724	0.2
133.03444	0.8
134.06020	0.7
134.99576	0.2
135.03145	0.3
137.02866	0.2
138.03377	0.2
138.05186	0.2
139.04176	0.3
143.01880	0.5
144.10159	1.3
145.03432	0.5
145.04935	0.4
146.04985	0.3
147.04941	0.5
147.05788	0.5
149.02933	0.3
149.06686	0.1
150.09126	0.3
151.02563	0.2
151.55890	0.2
152.04858	0.2
152.07050	1.4
152.10620	0.2
154.04782	0.2
154.06444	0.2
155.01842	0.3
155.05583	0.2
157.03444	0.5
158.08066	0.2
160.04681	0.3
160.06525	0.6
161.01184	0.1
161.02957	1.0
161.05516	1.1
163.02591	0.2
163.04437	0.2
164.07059	0.8
165.04057	0.1
165.06085	0.2
168.10159	0.9
168.99754	0.2
169.03453	0.5
169.55327	0.1
170.06064	0.4
171.01335	0.2
171.04974	0.2
172.02786	0.2
173.02905	0.6
173.06606	0.2
174.01685	0.2
174.06120	0.2
175.04587	0.2
177.02519	0.1
177.06013	0.2
178.03078	0.2
183.05060	0.3
184.05788	0.4
185.02977	0.5
187.00859	0.2
187.04424	0.2
189.02348	0.2
189.06081	0.2
191.03951	0.4
195.08452	0.2
195.11273	0.2
196.00896	0.2
196.09662	6.5
199.00899	0.2
199.04468	0.2
200.04288	0.3
200.07706	0.3
201.02431	0.4
201.06053	0.2
203.02148	0.1
203.03998	0.4
205.01932	0.2
205.03740	0.3
212.05325	0.2
213.15948	0.5
214.02068	0.2
214.04166	0.3
218.08713	0.2
219.03473	0.6
219.07086	0.2
221.04999	0.6
223.04602	0.2
223.06595	0.2
224.09050	0.2
228.03467	0.3
231.07158	0.2
232.06712	0.3
239.04323	0.3
240.57573	0.1
241.15436	100.0
242.10155	1.1
242.15732	1.4
245.05069	0.4
247.06606	0.2
261.08127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.2
55.05485	0.3
56.96544	0.8
57.03421	0.4
58.06590	14.4
61.02917	0.3
65.27692	0.2
67.05482	0.2
69.03402	0.6
70.06241	0.2
70.06584	2.2
70.84425	0.5
71.04962	0.4
71.12705	0.1
72.08089	0.2
73.02888	0.3
79.05473	0.2
81.03385	0.4
81.07029	0.2
84.08128	7.2
85.02876	0.6
93.03709	0.2
97.02862	0.5
98.06051	0.2
98.09665	1.2
98.97570	2.4
99.04435	0.2
100.11224	0.5
101.00820	0.3
107.04949	0.3
109.02869	0.3
114.05503	0.4
116.07077	0.2
116.98605	1.9
119.01923	1.1
120.01884	0.2
122.09712	0.2
124.75240	0.2
126.05557	0.3
126.09095	0.2
128.10699	2.9
131.01886	0.3
133.03462	0.2
134.05992	0.5
134.99651	1.1
135.04422	0.2
137.02943	0.2
137.05901	0.3
143.01910	0.2
144.10155	0.9
147.11568	0.2
150.09193	0.2
152.04645	0.3
152.07054	1.1
153.01790	0.3
158.01242	0.3
158.08142	0.3
160.06528	0.7
161.02985	0.3
164.07048	0.9
168.10178	0.7
177.00722	0.4
196.09651	5.1
196.11453	0.3
201.02422	0.4
213.15887	0.3
219.01619	0.2
219.03458	0.5
235.01198	0.2
240.57230	0.3
241.15430	100.0
242.10255	1.5
242.15831	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1429
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03931	4.2
55.01855	9.8
55.05499	13.9
57.03419	8.3
57.07066	5.3
58.06564	2.5
59.04977	5.2
65.03925	3.2
66.72688	2.1
67.05501	26.7
68.99788	4.6
69.03416	28.3
69.07043	16.0
69.69249	6.2
69.69675	12.0
70.06580	4.7
71.04979	8.7
73.02913	5.5
73.42030	2.3
79.05481	23.1
81.03412	11.0
81.07043	28.2
83.04971	22.1
83.08600	4.5
85.02885	12.2
85.06514	4.3
86.09700	3.4
87.29047	2.2
90.34265	2.4
91.05470	33.7
93.03697	7.2
93.07030	51.2
95.04957	19.1
95.08592	18.5
97.02865	6.7
97.06513	9.0
97.10155	4.2
98.97584	24.0
99.04420	6.2
103.05450	11.1
105.06371	3.4
105.07026	38.0
107.04960	12.4
107.08583	37.3
109.06499	30.8
109.10136	22.1
110.09661	2.6
111.04442	6.0
111.08048	9.6
116.98640	15.1
117.07003	10.3
119.08553	34.4
121.06480	36.5
121.10146	16.1
122.02759	3.3
122.07247	2.9
123.04436	4.2
123.08049	24.9
125.05964	7.1
125.09615	4.5
129.07014	3.8
130.07724	3.6
131.04953	3.5
131.08546	8.9
133.10097	16.4
134.05992	3.0
134.99637	3.5
135.08037	36.9
135.11676	13.2
136.07594	3.0
137.05939	10.9
137.09593	100.0
139.07497	7.8
144.09299	6.2
145.06361	3.6
145.10072	15.2
147.08025	6.7
147.11676	4.7
149.05960	85.3
149.09560	4.5
149.13249	4.4
151.03911	19.3
151.07536	12.6
151.11168	4.2
152.07007	4.3
152.14333	9.4
153.09100	6.6
157.10080	3.5
158.99678	8.2
159.08040	4.2
159.11668	25.3
160.08771	3.3
161.01239	2.6
161.09575	12.2
161.13239	5.3
163.07544	7.6
163.11198	12.8
164.07019	13.9
165.09085	13.3
166.08679	5.3
166.15851	3.1
167.06999	9.1
169.08600	3.3
175.11177	20.8
177.00674	12.3
177.09187	3.1
177.12711	21.4
179.10678	12.1
180.04778	2.7
181.04941	5.3
181.08569	15.4
181.12225	6.1
187.11183	12.4
193.12224	20.5
195.06433	9.1
195.08118	4.7
196.16882	4.7
205.12256	32.7
212.06830	3.0
219.63330	3.8
221.07484	10.7
223.05891	4.2
223.09628	8.5
223.13237	30.9
230.08066	4.5
241.10478	7.5
241.14200	15.4
241.64709	3.9
242.14932	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	241.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01855	0.9
55.05502	2.0
56.96554	5.4
57.03430	2.1
57.07061	1.0
58.06593	15.4
60.26495	0.4
61.02925	1.9
67.05485	1.0
69.03428	4.6
69.07058	1.7
70.06589	2.5
70.94453	0.8
70.94833	0.7
71.01331	0.5
71.04970	1.2
71.08640	0.4
71.95251	0.4
72.08156	0.5
73.02921	2.2
73.06521	0.7
75.02670	0.8
79.05466	0.9
81.03407	2.4
81.07027	1.5
83.04942	1.1
83.08600	1.0
84.08129	8.5
84.96003	0.5
85.02888	5.5
85.06549	0.7
87.04462	0.5
91.05465	0.8
92.31718	0.4
93.03696	2.2
93.06973	0.8
95.04951	0.8
95.08583	0.7
96.53595	0.3
97.02352	0.5
97.02876	4.5
97.06492	0.8
97.10167	0.5
98.09689	1.3
98.96918	0.6
98.97571	11.3
99.04424	1.3
99.08072	0.6
101.00845	0.8
105.07040	0.7
107.04937	1.3
107.08556	0.8
109.02852	1.3
110.06043	0.5
110.97551	0.4
111.04413	0.8
112.07590	0.6
112.99084	0.4
114.05499	0.4
116.07053	0.7
116.98604	10.3
119.01888	2.8
121.01631	0.4
121.02766	0.4
121.06509	0.7
121.10117	0.5
123.11724	0.5
126.05550	0.8
127.03963	1.7
127.04675	0.4
128.02240	0.5
128.10695	3.6
128.98579	0.8
131.00165	0.5
131.01886	0.5
133.03491	0.5
134.05986	2.7
134.99651	7.3
137.02922	0.6
137.05939	1.4
137.09593	0.4
139.04120	0.5
140.00151	0.8
140.06949	0.5
143.00145	0.7
143.01869	1.2
144.10165	0.7
145.01714	0.4
145.03377	1.2
145.04951	0.5
146.99619	1.0
147.03127	0.5
147.05780	1.0
149.01181	0.9
151.05879	0.6
152.07056	6.6
153.00671	1.4
153.01807	0.7
155.01866	0.6
155.04620	1.2
157.03468	0.6
158.01237	2.5
158.99654	1.1
159.04933	0.5
160.04863	0.4
160.05132	0.5
160.06558	5.2
160.56633	0.5
161.01202	1.0
161.02934	1.6
163.02710	0.9
163.08301	0.4
164.07074	4.2
168.03712	0.5
168.05344	0.7
168.10176	1.0
169.04538	0.4
169.07077	1.5
173.02855	0.5
175.02765	0.8
175.04382	0.6
176.02284	0.6
177.00677	3.2
177.04343	0.6
177.05936	2.1
179.02249	0.4
181.05000	0.9
184.04904	1.3
191.02132	0.6
192.04829	0.4
193.03754	0.5
195.01758	1.8
195.04886	0.4
195.08498	0.6
196.09668	7.8
198.99118	0.5
199.05727	0.4
199.08270	0.5
205.03841	0.5
209.03741	0.6
209.05681	0.5
213.15958	0.6
217.55576	0.6
218.05026	0.4
219.01781	0.8
220.05836	0.6
220.08620	0.5
220.58766	0.5
221.04977	0.5
223.04582	0.6
223.10939	0.7
232.05975	0.5
233.06799	0.5
235.66980	0.4
237.02802	0.9
239.04277	0.5
240.57372	0.6
241.06517	5.1
241.15437	100.0
241.56566	1.1
242.07640	0.9
242.10226	3.0
242.15749	0.7
242.30338	0.4
261.57498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
55.01857	0.7
55.05508	1.9
56.05027	0.4
56.96556	3.0
57.03427	2.3
57.42630	0.3
58.06303	0.6
58.06592	11.1
61.02921	2.2
67.05479	0.6
69.03123	0.3
69.03430	3.0
69.07035	1.2
70.06591	2.0
70.72436	0.4
70.98096	0.3
71.01322	0.3
71.05002	1.5
71.62100	0.3
71.95259	0.3
73.02911	2.5
77.29649	0.3
79.05460	0.6
80.04990	1.0
81.03408	2.3
81.07035	0.7
83.04961	1.1
83.08601	0.5
84.08134	6.1
84.96015	0.4
85.02892	5.8
85.06536	0.6
86.03238	0.4
87.04436	0.3
91.03976	0.4
91.05461	0.4
91.78324	0.3
93.03738	0.6
94.02627	0.4
95.04945	0.4
95.08593	0.5
97.02334	0.5
97.02879	3.8
98.06065	0.3
98.09694	0.6
98.97567	10.4
99.04445	1.7
100.11221	0.4
101.00858	1.1
101.02489	0.3
103.02417	0.4
107.04959	0.9
109.02866	0.8
109.10162	0.4
110.97565	0.4
111.02051	0.5
111.04418	0.8
113.02322	0.4
114.05479	0.3
115.02429	0.6
115.03902	0.8
116.07108	0.6
116.98605	9.4
117.05496	0.4
118.01031	0.4
118.03564	0.4
119.01916	3.6
119.03564	0.3
120.01962	0.4
121.01619	0.4
127.03912	2.0
128.10704	3.4
128.98563	0.5
131.00142	0.5
131.01910	1.7
132.02000	0.4
133.01646	0.4
133.03461	0.9
134.06018	2.9
134.99629	7.0
135.03030	0.5
136.07501	0.5
137.02901	0.8
137.05922	0.5
138.03339	0.3
138.05283	0.6
139.03984	0.3
140.00096	0.6
143.00151	0.6
143.01869	1.8
144.10156	1.0
145.03392	1.3
145.04958	0.8
146.99603	0.4
147.05782	2.8
147.55807	0.5
149.02861	0.5
151.05904	0.5
152.07031	5.5
153.00700	1.5
153.01830	0.6
153.03937	0.4
155.01883	0.5
156.06291	0.4
156.97568	0.4
157.03506	0.8
158.01230	1.4
158.03453	0.3
158.56505	0.7
158.99590	0.5
159.03214	0.4
160.04723	0.5
160.06555	1.0
160.56668	0.4
161.01344	0.7
161.02934	3.1
162.03131	0.3
163.02629	0.4
163.04384	0.4
164.05678	0.4
164.07037	7.8
167.06990	0.3
167.77959	0.4
168.10175	0.6
169.03433	0.4
169.05302	0.4
169.07086	0.6
169.09750	0.5
170.03267	0.6
170.04965	0.4
171.01353	0.4
173.02945	0.8
173.06528	0.4
174.03151	0.4
174.04556	0.5
175.02585	0.5
175.04562	1.0
176.02194	0.4
176.05965	0.4
177.00726	1.7
178.03159	0.6
181.03348	0.4
181.04984	0.4
181.09665	0.6
183.04990	1.1
184.05843	0.4
185.01283	0.4
185.02921	0.9
185.06581	0.4
187.04523	0.4
189.02425	0.4
190.98627	0.4
191.02165	0.5
192.04370	0.3
193.05499	0.4
195.01643	0.9
195.08510	0.5
196.09671	6.4
197.03044	0.3
197.09285	0.4
199.04353	0.3
201.00641	0.4
201.02396	0.6
203.02257	0.4
203.03894	0.7
205.03616	0.4
205.05598	0.3
211.04326	0.4
213.05719	0.3
214.04115	0.4
216.56239	0.3
217.00201	0.5
217.05435	0.6
218.02078	0.3
218.05222	0.7
219.01755	0.5
219.03577	0.5
220.04074	0.6
220.06007	1.1
221.03224	0.3
221.04976	2.1
223.04578	0.4
223.10770	0.8
225.06232	0.4
229.05542	0.4
230.05569	0.4
232.06656	0.5
234.99503	0.3
235.06647	0.4
237.02690	0.7
239.04269	0.6
240.57323	0.7
241.03265	0.6
241.06363	2.2
241.08835	1.7
241.15434	100.0
242.10245	2.2
242.15701	0.5
245.05098	0.7
247.06647	0.5
250.06941	0.4
258.99634	1.7
259.06747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42558	2.5
53.03936	4.9
55.01878	6.4
55.05502	8.8
55.09467	2.6
56.96282	4.9
56.96558	71.7
57.03421	10.5
60.04544	3.1
60.54456	2.2
65.03934	6.0
67.05504	4.9
68.05034	5.8
68.92554	2.4
69.03413	13.1
69.07055	4.3
70.06583	5.4
70.57229	2.3
71.01350	4.6
71.04984	8.1
71.62008	4.2
72.08135	5.4
73.02906	11.5
74.06055	5.5
76.04000	2.9
79.05488	13.0
81.03418	4.8
81.07037	10.6
83.04987	4.8
84.08163	3.2
84.96035	8.9
85.02895	35.6
91.05463	9.6
93.07082	2.9
95.04945	6.0
95.06079	2.4
95.08611	3.8
97.02897	15.0
97.07593	2.5
98.97572	53.4
103.03932	5.9
103.05465	7.0
105.03360	3.4
105.07016	18.2
107.04948	93.8
107.08565	2.3
108.05283	5.7
109.02856	7.3
109.06487	3.8
109.10148	2.6
110.06038	44.8
110.97540	23.5
111.04494	5.7
111.44526	2.7
112.07578	2.4
114.05530	2.9
115.05428	4.2
116.98611	49.8
117.06930	2.6
119.04922	3.1
120.08112	8.7
121.06515	6.1
122.51574	2.8
123.04405	3.6
123.06805	6.8
124.03936	5.9
125.05917	3.7
126.06617	3.5
127.03847	5.1
128.07045	3.0
128.98596	48.3
130.02797	5.6
130.06400	2.5
131.00195	3.8
131.03395	2.8
131.04901	3.8
132.08078	19.6
133.02847	10.6
133.06516	5.4
134.06030	4.0
134.09631	8.0
134.99640	38.7
135.04387	29.7
136.07602	3.9
137.05983	10.6
139.03252	3.2
143.00163	13.9
144.95955	2.8
145.04041	3.4
145.82368	2.5
146.09587	3.6
146.99628	46.8
147.04402	3.2
149.01163	4.2
150.05484	18.7
151.02171	6.8
153.00668	2.5
153.05428	7.2
155.00151	14.2
157.03336	4.1
158.99673	4.2
161.01190	30.3
161.05959	8.1
162.05453	4.1
163.01733	2.8
163.03896	61.8
165.00700	6.0
165.05479	10.6
167.07019	27.4
173.01204	25.3
176.07033	3.3
176.10727	5.2
177.00667	12.9
177.05481	3.8
178.08585	3.1
179.02299	4.6
179.07011	3.1
181.04816	3.2
185.01228	4.8
189.05492	5.5
191.02274	7.4
193.04485	3.6
193.08722	2.9
194.08096	27.2
194.11751	61.3
195.06520	14.2
196.07320	18.8
197.08041	4.4
199.04362	9.6
199.54735	4.0
201.04152	3.6
203.02284	4.9
207.06563	5.5
208.04909	67.5
208.55083	5.1
217.05423	100.0
217.55553	17.9
219.01804	3.6
219.55707	8.5
221.03329	5.0
221.08041	3.7
222.07700	2.7
222.14938	5.6
226.06085	3.5
228.56288	13.9
237.02744	4.4
240.06653	5.8
240.08690	40.9
240.12216	50.4
240.15820	20.7
241.06973	3.4
256.02649	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	239.2002
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03915	3.4
55.05262	3.1
55.05503	35.7
56.20724	2.2
57.03424	2.9
57.07061	17.5
59.04996	23.5
65.62319	2.4
67.05494	22.5
69.03402	3.4
69.07057	44.1
70.18707	10.9
71.04962	6.8
71.08615	6.4
73.06512	2.4
73.63751	2.7
79.05475	17.5
81.07049	99.2
82.58292	2.2
83.04958	5.5
83.08606	33.6
84.39203	2.6
85.06532	8.7
85.48564	2.4
85.62020	2.6
91.05470	9.7
93.07030	35.0
94.40533	2.3
95.04958	2.8
95.08592	100.0
97.06513	13.1
97.10175	17.5
97.73225	2.2
99.08079	8.9
105.07011	23.6
107.08572	47.7
109.06479	5.5
109.10136	50.2
109.10817	4.0
111.08045	12.0
111.11702	22.6
113.09618	2.5
115.07526	4.8
119.08562	33.5
121.10132	43.5
123.08071	9.4
123.11679	45.0
125.09604	13.8
127.11209	3.7
129.09131	3.2
133.06458	4.0
133.10118	30.9
135.11671	43.9
137.09605	3.9
137.13240	72.0
139.11165	24.3
143.10663	11.8
146.92009	2.2
147.11649	28.8
149.13266	13.2
151.07550	3.0
151.11171	8.6
151.14771	2.8
153.12727	5.9
157.12233	7.1
159.11726	2.7
161.13264	17.4
163.14798	32.9
165.05437	2.9
165.09138	2.6
165.12750	8.1
167.06947	6.1
175.11125	3.1
175.14807	9.0
177.16426	6.2
193.05022	4.5
193.08540	5.1
193.15868	3.3
193.19534	9.2
203.17935	63.4
207.87515	2.3
221.08023	4.7
221.15620	3.2
221.18971	86.0
222.19437	2.4
239.09009	3.0
239.16270	3.3
239.20045	48.8
241.24005	2.5
251.60469	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	239.2002
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
54.03049	2.2
55.05503	32.0
57.03423	3.7
57.07069	21.4
59.04995	22.2
67.05496	24.5
69.03419	3.8
69.06721	2.9
69.07061	46.9
70.06882	12.8
71.04986	15.4
71.08611	6.3
78.61837	2.0
79.05477	13.8
81.03399	3.6
81.07043	95.3
83.04952	6.7
83.08605	30.7
85.06519	13.1
91.05483	12.0
91.05939	2.1
93.07027	34.5
95.04927	5.2
95.08594	100.0
97.06512	14.2
97.10150	17.6
99.08062	8.0
105.07039	20.0
107.08575	51.9
109.06502	6.3
109.10140	52.6
111.08052	13.3
111.11692	16.0
113.09611	4.2
115.07536	6.1
119.08563	30.8
121.06461	2.5
121.10136	34.2
123.08053	8.4
123.11699	39.9
125.09599	10.9
127.07597	2.9
127.11158	5.7
129.09073	3.5
131.08464	2.5
133.10103	28.8
135.08046	3.6
135.11674	44.0
137.05945	2.6
137.09604	5.3
137.13239	74.1
139.11177	20.3
140.01974	2.2
141.37975	2.6
143.10645	12.9
145.10091	2.8
147.11682	25.7
149.13216	16.2
151.07500	3.2
151.11147	14.7
151.14760	5.4
153.12695	5.9
157.12204	4.7
159.11659	2.5
159.77623	2.1
161.05852	3.2
161.13229	21.4
163.14793	32.3
165.12729	6.9
167.07037	3.0
168.05656	6.4
169.12201	2.8
175.14809	8.9
177.16341	6.2
179.07004	2.2
179.14270	2.2
179.17851	2.6
193.19482	9.1
196.05185	12.9
203.14317	3.3
203.17931	58.4
203.19740	4.6
211.07491	21.3
221.15341	5.9
221.18973	73.1
239.07225	10.6
239.08949	4.0
239.10829	3.2
239.12743	3.1
239.16216	4.7
239.18127	2.0
239.20038	45.3
240.07468	2.5
240.19588	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	239.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.1
55.01858	4.4
55.05505	27.5
57.03424	2.9
57.07062	3.5
59.04999	2.4
65.03908	2.7
67.05499	59.0
69.07062	17.0
69.47421	18.3
71.04977	8.7
71.08617	2.9
72.08179	2.2
79.05486	78.8
81.03410	4.2
81.06570	3.1
81.07047	54.1
81.73505	2.0
83.04980	25.6
83.08607	11.9
85.02879	3.2
85.06520	5.0
89.05993	4.6
91.05472	65.4
93.07032	100.0
95.04950	20.1
95.08594	40.1
97.06480	5.8
97.10144	9.3
99.04456	3.5
105.07021	45.3
107.04937	2.6
107.08595	21.0
109.06505	10.8
109.10163	12.8
111.08070	2.8
117.06995	11.4
119.08563	21.5
121.06471	3.6
121.10122	6.5
121.43950	1.9
123.08064	10.0
123.11658	3.6
128.06197	3.7
129.06993	19.0
133.10139	14.5
135.07996	2.7
135.11734	2.7
137.06006	2.1
137.13216	2.1
143.08542	9.3
145.10117	16.6
147.08026	2.8
147.11671	71.4
157.10017	2.5
159.11630	2.6
161.05788	2.7
161.09602	8.6
161.13214	18.7
169.10123	2.5
171.11664	44.7
175.11024	2.3
177.92413	2.3
189.12701	19.1
193.12119	2.9
197.13164	2.7
198.18411	2.5
206.02061	4.1
207.13809	26.2
221.15262	2.5
238.56029	2.2
239.05453	6.6
239.08945	2.5
239.14279	4.7
239.18159	11.1
239.20076	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0545
Annotation	6,8-Dihydroxy-5,7-dimethoxycoumarin
Peak:m/z	Relative Intensity
53.03939	0.5
55.01867	0.7
55.05502	0.6
57.07068	0.5
60.17902	0.2
66.04703	1.3
67.05491	0.9
69.03423	0.8
69.07056	0.7
71.04979	0.8
71.62542	0.3
79.05479	0.6
81.03413	0.8
81.07038	1.6
82.04191	0.2
83.04974	0.3
83.08580	0.5
85.02892	0.3
85.06509	0.3
91.05479	0.6
91.81314	0.2
93.07036	0.8
94.04164	2.4
95.01302	0.5
95.04953	0.3
95.08578	1.4
97.02871	0.6
97.10169	0.4
99.04452	0.2
105.07029	0.9
107.01302	0.6
107.04907	0.3
107.08578	0.8
109.02839	0.5
109.06483	0.3
109.10144	0.9
111.04465	0.3
111.08070	0.3
119.08562	0.7
121.06467	0.4
121.10174	0.3
122.02737	0.3
122.03622	6.7
123.04453	0.4
123.08046	0.5
123.11658	0.4
125.02316	1.0
125.09569	0.2
133.02835	0.5
133.06435	0.4
133.10114	0.7
135.00758	0.4
135.08028	0.4
135.11644	0.5
137.02264	0.4
137.05975	0.4
137.09621	0.3
139.11276	0.2
145.10039	0.3
146.21844	0.2
147.11635	0.5
149.02298	0.5
150.03102	3.9
151.03879	0.3
151.11124	0.3
153.01813	0.3
160.01476	0.3
161.02246	0.2
162.05463	0.5
165.09171	0.4
166.02541	0.2
167.07060	0.3
177.01732	0.2
178.02586	11.5
179.03375	2.2
179.10707	0.3
181.01295	3.6
183.22195	0.2
193.04897	0.3
193.08542	0.3
194.02061	0.8
195.09853	0.5
203.17961	0.5
206.02072	57.1
207.02541	1.0
207.07631	0.8
208.05936	0.6
209.00772	21.3
219.24773	0.3
221.11778	0.3
221.15378	0.5
221.19002	0.3
223.02289	0.6
224.03116	28.1
225.03427	0.3
227.01936	0.7
239.05453	100.0
240.05841	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03142	0.2
53.03935	0.4
55.01859	0.7
55.05481	0.3
57.03407	0.2
57.07060	0.4
59.27725	0.2
60.82103	0.1
62.38531	0.2
65.03902	0.2
66.04704	1.8
67.01856	0.2
67.05483	0.6
67.66295	0.2
68.02634	0.2
69.03408	0.8
69.07051	0.4
70.86383	0.4
70.86779	0.3
71.04971	0.6
77.38361	0.1
79.05495	0.4
81.03397	1.5
81.07019	0.8
82.00549	0.2
82.04194	0.2
83.04969	0.4
83.08593	0.3
85.02911	0.4
85.06509	0.2
89.06009	0.2
91.05446	0.3
93.07020	0.4
94.04165	2.6
95.01315	0.9
95.04944	0.5
95.08591	0.8
97.02866	0.4
97.06505	0.2
99.00833	0.2
99.04404	0.3
103.05432	0.2
105.07004	0.6
106.04158	0.3
107.01282	1.0
107.08569	0.4
109.02864	0.6
109.06519	0.3
109.10155	0.3
110.03613	0.2
113.03521	0.2
119.08540	0.5
121.02798	0.3
121.06469	0.4
121.10111	0.3
121.97457	0.2
122.03627	7.9
123.00727	0.2
123.04402	0.5
123.08029	0.6
123.11682	0.2
125.02316	1.2
127.03912	0.3
131.90573	0.2
132.02071	0.2
133.02806	0.6
133.06422	0.2
133.10114	0.4
135.00758	0.7
135.07962	0.4
137.02295	0.5
137.05917	0.6
138.03053	0.2
147.00809	0.3
147.04405	0.2
147.11607	0.2
149.02325	0.2
150.03099	4.2
151.03874	0.3
151.11154	0.3
153.01804	0.5
157.10004	0.2
160.01695	0.3
161.02325	0.2
161.05957	0.2
161.09618	0.3
163.07420	0.2
165.01811	0.2
165.05457	0.3
165.06898	0.2
165.09048	0.3
172.19550	0.2
175.11139	0.5
177.01744	0.4
177.09064	0.6
178.02577	14.1
178.96324	0.3
179.03358	2.7
179.10605	0.2
181.01292	3.8
191.10728	0.2
193.01321	0.2
193.04901	0.3
193.08481	0.3
193.12204	0.4
194.02046	0.7
195.02771	0.2
196.03621	0.3
200.34140	0.2
203.10733	0.2
206.02071	66.8
207.02455	0.7
209.00772	22.5
210.01106	0.2
211.07616	0.2
221.11696	0.6
221.15305	0.2
223.02304	0.9
224.03117	28.9
227.01775	0.7
239.05457	100.0
240.05724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0544
Annotation	6,8-Dihydroxy-5,7-dimethoxycoumarin
Peak:m/z	Relative Intensity
53.03933	0.7
55.01862	0.7
55.05502	0.2
56.86057	0.2
57.07046	0.2
65.03912	0.2
66.04700	1.5
67.05490	0.6
67.57249	0.2
68.99790	0.2
69.03407	0.8
69.07047	0.4
69.57445	1.5
71.04986	0.5
72.08141	0.2
77.03947	0.2
79.05472	0.3
81.03413	1.4
81.07053	1.0
82.04173	0.2
82.08763	0.2
83.04974	0.4
83.08614	0.2
84.02122	0.2
85.02882	0.3
85.06524	0.3
89.06044	0.2
91.05486	0.3
93.07021	0.4
94.04155	2.6
95.01318	0.6
95.04942	0.6
95.08596	0.7
97.02872	0.9
99.04474	0.2
105.03353	0.3
105.06998	0.4
106.04111	0.2
107.01310	0.4
107.04939	0.4
107.08598	0.3
109.02888	0.9
109.06504	0.5
109.10120	0.3
113.02343	0.3
117.06999	0.3
119.04823	0.2
119.08587	0.3
121.02831	0.3
121.06481	0.3
121.10115	0.2
122.03631	6.9
123.04382	0.5
123.08048	0.5
123.11735	0.3
125.02328	1.1
127.03897	0.2
132.02055	0.3
133.02809	0.6
133.06465	0.2
133.10065	0.5
134.03615	0.4
135.00772	0.4
135.07977	0.3
137.02306	0.3
137.05928	0.4
147.04485	0.2
147.07999	0.2
147.11569	0.3
149.02296	0.2
149.09616	0.3
150.03098	4.1
151.03864	0.3
153.01808	0.4
160.01561	0.2
161.09547	0.2
163.07541	0.3
165.05377	0.3
165.09126	0.3
166.02663	0.2
175.11143	0.4
177.01863	0.4
177.09164	0.5
178.02585	12.3
179.03366	2.5
179.07050	0.2
179.10811	0.2
181.01283	3.8
181.08711	0.2
183.06465	0.5
183.08092	0.3
193.04912	0.2
193.08601	0.2
194.02087	0.7
195.02930	0.2
196.03590	0.4
203.10741	0.2
206.02074	64.1
207.02486	0.8
209.00777	20.9
210.01129	0.2
221.11670	0.7
223.02344	0.5
224.03117	28.8
227.01901	0.6
239.05460	100.0
240.05843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1846
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03922	2.6
54.72929	1.6
55.01856	4.4
55.05503	17.3
57.03411	5.6
57.07059	5.2
59.04968	3.0
63.70258	1.5
65.03930	2.3
67.05490	18.6
69.03414	24.9
69.07059	17.7
71.04980	42.6
71.62241	2.7
73.06500	1.7
79.05485	29.1
79.05940	2.2
81.07045	100.0
83.04971	11.3
83.08598	7.2
85.06519	10.2
91.05468	18.4
93.06457	2.6
93.07032	35.6
95.04959	13.5
95.08591	30.1
97.06522	12.1
97.10146	5.2
99.08075	30.2
103.05416	3.2
105.03315	2.1
105.04516	1.6
105.07008	39.5
107.04939	4.1
107.08573	37.3
109.06505	16.6
109.10135	38.0
111.08085	7.8
113.09599	2.7
115.05454	1.7
116.06155	2.3
117.06994	4.6
117.45521	1.7
119.08575	17.4
121.06492	6.2
121.10130	28.5
123.08040	9.6
123.11678	16.0
125.09634	11.0
127.07544	14.7
127.11170	40.8
129.06949	2.5
131.04922	3.3
131.08549	15.3
133.06392	2.4
133.10110	49.3
135.07997	5.2
135.11674	13.1
137.06007	3.9
137.09586	6.5
137.13237	3.5
139.11168	7.0
141.07068	1.5
143.10638	10.2
145.10103	28.5
147.04402	2.3
147.08162	2.2
147.11653	14.9
149.09579	7.6
149.13251	5.3
151.11157	60.2
151.12337	3.2
155.10643	20.1
157.10045	1.8
159.08052	5.9
159.11688	16.1
161.05966	2.5
161.09648	1.8
161.13226	7.6
163.03963	1.9
163.07515	3.6
163.11165	6.6
165.05457	9.5
165.12733	2.9
167.07071	2.0
169.12228	3.2
173.13298	4.6
175.07471	3.0
175.14832	5.1
177.05414	2.3
177.09105	2.7
177.12737	4.7
177.16406	4.8
181.08554	1.9
187.07544	2.8
191.07036	9.2
191.14290	3.2
191.17900	6.0
193.04965	4.6
193.08621	2.6
194.07382	2.2
201.12730	3.3
201.16318	21.4
219.06363	2.1
219.10112	4.3
219.13795	6.1
219.17424	39.5
237.05458	3.2
237.09058	7.2
237.11153	4.6
237.14821	9.5
237.18463	47.6
237.22185	5.1
238.10864	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1844
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.09286	2.4
53.03940	3.2
55.01859	3.1
55.05510	10.7
57.03428	6.5
57.07064	5.0
59.04989	2.6
67.05492	18.2
69.03418	26.7
69.07057	18.2
69.33877	22.4
71.04982	63.5
79.05478	25.2
81.07041	100.0
83.04963	8.4
83.08608	7.0
85.02901	2.5
85.06535	8.3
89.06069	2.2
91.05452	15.4
93.07034	35.5
95.04964	17.5
95.08588	25.9
97.06533	15.2
97.10130	3.3
98.21449	4.1
99.08073	31.0
102.03143	2.0
103.05431	5.7
105.07008	34.6
107.04948	2.8
107.08575	38.7
109.06495	27.2
109.10149	32.2
111.08075	6.2
113.09616	4.1
117.07026	4.4
119.08554	19.2
121.06548	3.9
121.10128	26.9
123.08061	9.3
123.11671	14.9
125.09620	12.6
127.07558	18.8
127.11166	65.5
131.04921	6.1
131.08560	13.3
133.10103	65.1
133.11066	3.7
135.08063	9.2
135.11639	13.6
137.09628	4.1
139.11151	11.8
143.10674	12.1
145.06503	5.8
145.10088	31.9
146.07256	2.4
147.11633	15.6
148.05162	2.3
149.02412	2.7
149.09561	4.2
149.13248	7.0
151.11154	95.7
155.10657	26.0
158.07240	4.7
159.08055	8.8
159.11667	14.1
161.05994	7.6
161.09584	6.8
161.13239	6.1
163.07538	5.9
163.11168	5.9
165.12805	4.7
166.92023	2.1
169.12230	7.0
173.09633	6.2
174.06694	4.5
175.07509	4.5
175.14813	3.2
177.05414	4.7
177.09120	4.6
177.12651	4.5
177.16394	3.7
187.07530	5.5
189.09109	7.9
191.07008	43.1
191.10687	6.3
191.18031	3.6
201.16325	16.4
207.10094	2.9
219.10121	23.6
219.13770	2.8
219.17444	18.4
237.07404	4.6
237.09419	2.1
237.11197	14.8
237.14798	4.5
237.18468	39.7
237.22116	4.9
241.45630	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03924	2.3
55.01849	5.3
55.05506	12.5
57.03413	5.3
57.07071	7.0
57.21140	1.3
59.04994	6.8
59.09903	1.3
65.03925	1.9
67.05491	18.9
69.03412	11.7
69.07053	20.0
69.65736	8.9
69.66145	3.2
71.04974	23.2
71.08618	2.4
79.05478	26.1
81.03404	5.8
81.07046	100.0
83.04947	6.3
83.08606	6.6
85.06541	8.4
91.05458	13.0
91.56158	1.4
93.07033	31.5
95.04955	8.7
95.08589	26.3
97.06504	9.2
97.10139	6.3
98.21489	3.0
99.04446	2.1
99.07475	2.5
99.08083	41.6
105.06371	2.1
105.07013	27.0
107.04951	2.7
107.08572	33.9
109.06497	18.0
109.10136	33.8
109.10893	1.7
111.04438	3.3
111.08058	5.3
113.06037	1.8
115.05413	3.2
117.07014	5.7
119.08575	18.0
121.06480	6.3
121.10130	24.8
123.08044	8.3
123.11686	13.4
125.09631	10.2
127.07541	23.8
127.11165	19.7
129.09109	2.7
131.08537	8.5
133.06483	5.2
133.09090	2.7
133.10101	41.2
135.08029	14.9
135.11661	14.2
137.05956	3.6
137.09612	3.1
137.13197	2.3
139.11162	7.9
139.99950	1.4
143.10654	5.6
144.05679	1.6
145.10095	17.1
147.04375	2.2
147.11694	10.4
148.05157	1.8
149.05956	1.4
149.09589	4.8
149.13216	11.3
151.07544	2.0
151.11153	32.7
155.10641	8.1
159.08011	5.0
159.11667	13.4
161.05959	3.7
161.09579	2.0
161.13261	10.2
163.03896	1.3
163.06323	1.5
163.07510	9.6
163.11139	5.5
163.14760	1.9
163.54689	1.3
165.05447	3.1
165.12753	1.9
169.12198	5.1
173.09598	1.8
173.13312	7.1
175.07539	2.8
175.08957	1.6
175.14789	4.5
177.09044	2.2
177.12674	4.2
177.16347	4.3
181.08559	10.3
187.07520	3.5
189.12801	2.6
191.07016	3.1
191.10576	1.8
191.14250	4.1
191.17929	5.1
193.04971	2.1
193.08549	3.5
194.07451	1.5
195.10133	1.9
201.12726	2.7
201.16315	11.2
203.49228	1.3
205.08455	1.6
207.10213	2.4
207.13844	2.7
209.11658	2.7
219.10088	2.2
219.13770	5.3
219.17397	20.3
237.07448	2.4
237.11185	4.1
237.14825	23.4
237.18477	28.2
237.22076	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	237.1845
Annotation	[1R-(1R*,4R*,6R*,10S*,12R*)]-4,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane-12-methanol
Peak:m/z	Relative Intensity
54.12395	0.2
55.05492	0.8
57.07053	0.3
64.49702	0.2
67.05211	0.2
67.05493	1.7
69.07059	1.1
70.87611	0.5
71.04982	0.4
71.80314	0.2
74.95462	0.1
79.05479	0.8
81.07047	1.5
83.04972	0.4
83.08591	0.6
85.06503	0.2
91.05458	0.4
93.07029	1.7
95.04932	0.2
95.08599	1.7
97.05901	0.3
97.06515	5.9
97.10159	0.3
105.07017	2.8
107.08591	1.6
109.06495	0.6
109.10145	2.4
110.07294	0.2
111.08065	15.6
117.07013	0.6
119.08593	1.4
121.06422	0.4
121.10122	2.3
123.08024	1.0
123.11673	1.0
127.28307	0.2
131.08548	0.5
133.10088	0.6
135.08028	3.5
135.11668	1.4
137.09583	0.6
143.08530	0.2
145.10101	1.6
147.07881	0.2
147.11658	4.7
149.09653	0.8
149.13229	0.3
159.11647	1.2
161.09583	1.1
161.13293	0.5
163.11148	4.0
164.11952	0.6
173.13274	0.3
175.14832	0.3
176.11951	0.7
177.12697	0.6
177.16434	0.2
189.12717	11.0
191.17950	0.4
191.71597	0.2
201.16353	0.8
203.85074	0.2
204.15070	15.9
205.15413	0.4
219.17406	100.0
220.17754	2.2
236.60851	0.2
237.14856	0.9
237.18495	5.3
237.22177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1844
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.00259	2.0
55.01854	2.6
55.05499	11.4
57.03416	3.4
57.07062	5.1
59.04974	5.6
59.66196	1.7
67.05492	19.3
69.03426	10.1
69.07063	16.8
69.36502	3.0
69.36909	13.8
71.04985	24.4
71.08603	1.8
79.05054	1.8
79.05480	23.4
81.07046	100.0
83.04958	5.3
83.08601	7.0
85.06523	7.1
91.05461	11.9
93.07030	24.4
95.04963	10.0
95.08591	25.2
97.06532	11.0
97.10133	6.0
99.08083	48.3
103.05432	2.2
105.07021	27.2
105.07703	1.2
107.04912	1.7
107.08585	31.0
109.06503	17.7
109.10143	37.9
111.08046	4.1
117.07030	2.6
119.08559	16.3
121.06464	4.6
121.10126	20.5
123.08054	5.8
123.11687	13.8
125.09581	9.0
127.07539	29.9
127.11176	21.3
131.08534	8.2
133.10117	39.8
135.08006	3.0
135.11642	11.1
137.05994	2.5
137.09581	4.7
137.13231	2.6
139.11162	5.3
141.09142	1.8
143.10649	6.7
145.10103	16.4
147.08112	1.6
147.11667	12.5
149.09612	3.4
149.13240	10.0
151.11163	39.0
155.10612	10.5
159.08051	4.3
159.11665	11.6
161.13225	9.2
163.07413	1.8
163.11143	4.6
163.14787	2.4
163.92387	2.1
165.12773	3.6
169.12247	3.9
173.13223	4.9
175.14734	5.3
177.12671	1.8
177.16365	4.1
186.15785	1.7
191.07014	2.7
191.14284	2.9
191.17915	3.8
193.08525	2.9
201.16379	11.6
205.08430	2.0
219.10077	2.7
219.13864	3.5
219.17383	29.5
237.14735	3.8
237.18474	30.0
237.22169	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	237.1845
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03923	3.3
55.01864	2.9
55.05507	20.8
57.03416	5.3
57.07059	4.9
64.62603	1.4
67.05494	14.5
69.03419	23.3
69.07056	13.9
70.68376	1.5
71.04984	55.0
71.61963	1.8
71.62361	2.6
79.05476	15.5
81.03390	2.4
81.07046	67.3
83.04969	22.4
83.08611	6.2
85.06528	6.3
88.84055	1.4
91.05454	19.2
93.07030	32.8
95.04961	14.5
95.08598	26.9
97.06508	11.6
97.10136	3.3
99.04478	2.3
99.08084	16.9
103.05453	3.5
105.07010	41.6
107.04934	2.8
107.08574	29.8
109.02829	2.6
109.06504	27.2
109.10137	30.3
111.08078	6.0
113.09616	3.3
115.05486	2.4
116.06243	1.7
117.06987	8.6
119.08580	16.6
121.06468	5.6
121.10130	28.0
123.08054	8.7
123.11680	14.6
125.09621	16.8
127.07561	9.5
127.11173	57.3
129.07013	3.3
130.07729	1.7
131.04897	3.7
131.08534	13.1
133.06393	1.9
133.10109	100.0
134.10397	1.4
135.08035	6.4
135.11655	12.9
137.05923	1.9
137.09608	3.6
139.11145	12.4
143.10628	10.7
145.06465	2.7
145.10095	28.5
147.04388	2.0
147.08006	2.5
147.11664	15.9
149.09685	3.4
149.13228	6.2
151.07544	8.5
151.11160	85.1
153.12714	8.8
155.10631	26.9
158.09659	1.8
159.08081	3.1
159.11682	19.5
161.06073	2.3
161.09535	3.6
161.13245	5.6
163.03946	2.0
163.07529	7.3
163.11157	5.9
163.14880	1.9
165.05379	1.7
173.05945	2.6
173.13292	3.2
175.07501	2.4
175.14745	1.9
177.05489	3.3
177.09033	2.6
177.12837	2.8
181.08621	1.6
185.49509	1.4
187.07544	4.0
189.09094	1.8
189.12662	2.5
191.07005	12.2
191.10672	2.6
191.17912	5.1
193.08611	1.8
193.21724	1.6
194.09352	10.8
195.10098	2.5
201.16367	18.0
219.06468	3.0
219.10114	5.4
219.13966	3.0
219.17421	24.7
237.07516	6.3
237.11147	4.6
237.14850	3.3
237.18457	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.61612	7.4
54.68486	6.5
67.05513	8.5
69.07063	10.4
69.54865	14.5
69.55274	54.7
71.04984	77.3
79.05523	7.2
80.20107	7.2
81.07024	25.0
89.06025	99.7
91.05470	15.4
93.07040	53.9
95.08603	25.0
97.06501	6.9
97.71452	7.7
98.20943	24.8
105.07035	40.9
107.08575	30.7
117.06982	9.0
119.08549	26.9
121.10134	27.0
123.67474	6.8
124.81151	6.6
125.09639	23.5
131.08516	8.2
133.10146	50.2
145.10074	19.3
147.11661	71.9
149.13245	86.4
159.11690	100.0
161.13255	19.3
175.14850	8.0
177.12692	7.9
201.16423	40.3
219.17426	32.3
237.14798	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	237.1846
Annotation	(+)-Curcudiol
Peak:m/z	Relative Intensity
55.01864	1.2
55.05505	3.7
57.03431	0.9
57.07050	2.4
59.04980	1.1
67.05492	5.9
69.03403	1.6
69.07058	12.6
71.04980	1.2
71.62575	0.7
79.05470	2.4
79.05901	0.6
81.03374	0.6
81.07050	8.9
83.04961	2.3
83.08603	2.7
85.06526	0.9
91.05452	2.8
93.07035	9.6
95.04943	2.3
95.08598	9.5
97.06518	3.2
97.10148	2.0
97.34360	0.7
99.04476	0.6
99.08096	1.0
103.05446	0.6
105.07027	4.0
107.04913	1.7
107.08583	8.1
109.06502	2.9
109.10144	21.4
111.04420	1.5
111.08056	1.5
111.11700	0.7
118.06487	0.8
119.08553	3.4
121.06502	4.9
121.10142	10.0
123.08031	3.0
123.11671	2.9
125.09601	1.0
131.08571	3.1
133.10085	2.4
135.08040	1.9
135.10663	1.1
135.11661	10.9
137.09610	9.0
139.11134	0.8
145.10115	3.6
147.11653	3.0
149.09607	16.8
149.13254	4.2
151.11162	1.2
154.40112	0.7
155.10741	0.7
159.08029	0.9
159.11655	2.7
161.09583	0.8
161.13219	2.2
163.11160	3.5
163.14845	0.8
165.12808	0.7
167.11954	0.6
170.55447	0.7
173.13252	1.0
175.14804	1.5
177.12701	2.6
177.16360	1.5
179.14299	1.1
191.14302	1.5
191.17914	13.6
192.06540	2.0
196.12318	0.6
201.16338	3.6
209.11655	2.4
219.17410	100.0
220.17795	0.9
237.07494	1.9
237.10963	1.0
237.14790	2.0
237.18501	6.8
237.21869	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	237.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03936	0.6
54.00642	0.3
55.01864	0.7
55.05489	1.2
56.96558	4.2
57.03416	1.1
57.07056	1.2
60.04514	0.5
60.95835	0.7
61.02901	0.7
62.91860	0.2
67.05484	1.3
69.03422	2.3
69.07045	1.3
69.86729	2.1
70.06577	0.6
71.04967	0.4
72.08139	1.1
72.93788	0.3
73.02898	1.0
73.06538	0.4
74.02433	6.6
74.06074	0.6
79.05471	1.3
81.03403	1.6
81.07037	1.6
83.04991	1.6
83.06107	0.3
83.08611	1.0
84.08157	0.4
84.95953	0.3
85.02892	2.9
85.06533	0.3
85.91637	0.3
87.04456	0.6
91.05447	1.4
91.25915	0.3
92.20445	0.3
93.07024	1.1
95.01308	0.4
95.04955	1.2
95.08604	1.0
97.02887	2.8
97.06519	0.3
98.97563	3.5
99.04421	0.5
100.02467	0.7
101.00862	0.6
103.02448	0.4
103.03928	0.4
103.05447	0.4
105.07013	0.4
107.04935	0.6
107.08572	0.7
109.02857	1.1
109.06508	0.4
109.10153	0.6
110.07149	0.4
110.97540	0.3
111.04449	0.6
112.04642	0.3
113.12817	0.3
115.02374	0.4
116.00263	0.3
116.98598	3.6
118.03484	0.7
118.06526	1.6
119.01900	2.4
119.04949	0.5
119.08476	0.3
121.01654	1.1
121.02859	1.1
121.06508	0.3
121.10162	0.4
122.07117	0.4
123.04387	0.4
125.02336	0.5
125.09628	0.4
127.03859	0.6
128.04936	3.1
128.98596	0.6
130.06525	0.6
131.01891	1.1
131.04863	0.4
131.08554	0.3
132.95834	0.4
133.03452	0.8
133.06601	0.3
134.99652	1.9
135.11700	0.6
136.93161	0.3
137.05972	2.0
141.03729	0.3
143.00134	0.3
143.01820	0.4
143.03406	0.3
145.03435	0.9
145.04814	0.4
146.05989	100.0
146.99634	0.5
147.03185	0.6
147.04417	0.5
147.06348	1.4
148.03865	0.5
148.07545	1.1
149.01175	0.6
149.06009	0.5
149.13219	0.4
153.01808	6.4
153.02983	0.6
154.02127	0.5
154.94200	0.4
155.04552	0.4
155.54774	0.4
156.05086	0.7
157.03377	0.5
158.99652	0.8
159.03079	0.5
161.02969	0.9
162.03146	0.4
163.02702	0.7
163.03903	1.3
164.05165	0.4
165.00679	0.3
166.04958	0.4
167.07036	0.4
168.05040	0.5
169.03395	0.4
171.05014	0.4
172.01501	0.9
172.95213	2.7
173.01205	0.8
173.02898	0.9
174.05463	0.6
174.98477	0.5
177.00708	1.4
177.04185	0.5
179.07103	0.4
180.06570	0.4
185.01221	0.6
185.02913	0.5
189.00787	0.5
189.05991	0.7
190.96313	1.3
190.98537	0.4
191.02161	0.9
191.03839	0.4
191.08170	1.1
192.06404	0.4
195.05037	0.7
196.95152	0.3
197.00815	0.4
202.04935	0.4
205.05534	0.4
214.00093	0.4
214.02264	0.4
214.05629	0.6
214.09367	0.3
215.01901	0.6
217.05563	0.5
219.01712	0.4
219.04973	0.6
219.07549	1.1
219.21039	0.4
220.13193	0.5
221.04909	0.4
225.05008	0.4
227.56886	0.6
232.06628	0.4
232.97269	0.3
237.02574	0.3
237.03996	0.5
237.06175	1.6
237.08685	7.9
237.13248	0.6
237.18448	0.6
237.22108	2.2
239.04295	0.4
251.02420	0.5
255.03581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1801
Annotation	Lidocaine
Peak:m/z	Relative Intensity
52.21170	0.2
58.06585	4.1
60.73748	0.2
71.38414	0.5
86.09692	100.0
87.10004	0.6
121.26150	0.3
135.54796	0.2
235.18031	12.7
243.73123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0865
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
55.01853	0.4
55.05497	1.3
56.96544	0.7
57.03408	0.7
57.07056	1.6
65.03890	0.3
66.12621	0.4
67.05480	1.7
69.03399	0.9
69.04086	0.4
69.07056	2.0
69.73787	2.3
71.08587	0.5
74.02435	3.8
75.03202	1.1
79.05470	1.2
80.04990	0.5
81.07036	2.2
83.04954	1.2
83.08599	0.8
85.02899	0.7
91.05466	2.3
92.05032	0.5
93.06988	2.1
94.06571	2.3
95.04958	1.1
95.08602	2.0
97.02864	0.5
97.06508	0.9
99.00745	0.6
99.08121	0.4
103.05504	0.5
105.06988	0.9
106.06557	0.4
107.04955	0.7
107.08575	1.4
108.04491	0.6
109.06502	0.6
109.10147	1.0
110.06024	1.5
111.04399	0.6
111.08078	0.5
117.05740	0.5
118.06521	8.1
119.08567	0.7
120.04498	2.3
120.08109	1.5
121.02880	0.5
121.06473	0.6
121.10139	1.2
123.04396	0.5
123.08005	0.7
128.04959	4.4
130.06505	9.1
131.04921	1.2
131.07237	1.0
131.08583	0.4
132.04388	0.8
133.05226	1.7
133.10109	0.7
135.04443	0.8
135.07999	0.6
135.11713	0.7
136.07559	3.8
137.06009	0.7
144.08076	0.9
145.07567	0.5
145.10103	0.8
146.05988	100.0
147.06369	1.4
148.03900	9.1
148.05075	0.6
149.05986	0.4
150.05478	1.3
151.11116	0.5
153.01799	1.1
157.07600	9.8
158.05994	0.6
159.09164	1.5
159.11618	0.9
161.01190	0.6
163.03856	2.6
163.07487	0.5
163.08653	0.5
164.07065	2.5
166.08678	0.7
173.07094	2.8
174.05490	8.9
174.07860	0.7
176.07033	0.5
177.05424	0.9
177.09137	0.7
178.04959	1.2
185.07161	0.4
191.03398	1.2
191.08141	10.6
192.06523	3.2
193.08533	0.5
202.05006	1.7
203.08133	8.6
204.08891	0.7
209.09348	0.5
219.07758	0.8
219.17345	0.6
219.21063	0.9
220.06036	3.9
220.08409	1.2
237.03909	1.1
237.08820	9.6
237.12657	0.9
237.14853	1.0
237.18446	1.0
237.22069	3.5
243.43922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1688
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03926	2.0
55.01857	2.5
55.05502	14.2
56.93591	1.3
57.07071	11.3
58.06577	1.6
58.25616	1.5
58.82375	1.2
59.04978	5.1
65.03915	2.5
67.05173	1.4
67.05495	26.3
69.03392	5.5
69.07056	17.5
71.04979	29.8
71.29115	2.5
73.06548	2.1
73.48605	1.6
79.05485	18.7
81.03409	8.7
81.07038	53.5
83.04949	5.2
83.08607	7.9
85.06496	3.6
86.09681	17.3
89.06007	7.3
91.05457	22.2
93.06461	2.2
93.07026	39.3
95.04950	14.7
95.08591	41.2
97.06493	5.7
97.10161	3.3
99.04427	1.7
99.08073	4.2
103.05396	2.3
105.07014	52.9
107.04919	2.9
107.08578	59.9
109.06508	15.1
109.10137	45.1
111.07449	1.5
111.08073	16.1
111.11682	2.8
113.05967	1.6
115.05476	6.7
117.06997	9.0
119.08561	46.1
121.06483	12.9
121.10124	34.2
123.04408	2.9
123.08025	5.5
123.11684	11.9
125.09614	30.2
127.07510	3.3
127.11139	3.0
128.06163	2.7
129.06987	5.3
130.07759	1.9
131.08540	14.7
131.44325	1.3
133.06468	2.6
133.10104	32.4
135.08011	5.3
135.11678	25.7
137.09572	4.1
137.13208	3.4
139.07491	2.7
140.85812	1.4
142.07730	3.4
143.08536	7.6
145.06468	8.8
145.10088	20.5
146.07187	1.9
147.08034	11.0
147.11661	78.4
149.09549	4.4
149.13187	4.3
151.07463	2.1
151.11118	1.7
153.09009	2.4
153.12721	10.7
157.06471	1.5
157.10110	11.7
159.11652	9.4
160.05168	4.8
160.95047	1.3
161.05962	2.6
161.09593	27.8
161.13228	15.4
163.11148	1.8
165.09085	3.3
165.12729	7.0
166.99940	1.7
167.06897	1.9
171.11632	4.5
173.05988	11.0
173.13171	6.0
174.06648	1.8
175.07521	18.6
175.11127	14.2
175.14821	16.5
177.12715	3.5
179.10660	10.4
187.07501	3.8
189.09041	2.4
189.12665	5.7
189.16354	47.3
190.06155	4.3
191.06906	2.3
191.17902	1.9
193.12148	2.5
193.15872	3.5
199.11118	4.9
199.14725	8.2
203.06985	2.9
205.08609	2.5
207.10129	1.8
207.17410	2.7
217.08543	4.1
217.12383	11.0
217.15839	39.9
217.19339	10.4
235.07643	2.4
235.09538	8.1
235.13379	15.1
235.16866	100.0
235.20349	16.8
236.17174	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.00270	1.2
53.03925	2.1
55.01850	3.7
55.05502	11.9
57.07065	11.1
59.04974	4.1
60.21334	1.1
61.80405	1.0
65.03923	2.0
67.05489	20.8
68.13695	1.0
68.86559	1.3
69.03394	4.4
69.06711	1.3
69.07059	15.2
69.28724	7.1
69.29152	5.0
71.04979	31.8
72.56578	1.2
73.06535	3.7
79.05482	18.9
81.03389	1.7
81.07043	46.0
83.04968	6.4
83.08630	5.5
85.06518	3.1
86.09682	16.8
89.06015	8.6
91.05456	22.2
93.06466	2.3
93.07028	39.5
95.04949	15.5
95.08590	38.5
97.06523	8.1
97.10127	2.2
99.08048	2.9
103.05436	1.3
105.07011	47.9
107.04917	3.9
107.08575	65.3
109.06490	15.4
109.10136	38.2
111.04430	1.3
111.08063	19.1
111.11681	2.3
113.05984	2.0
115.05421	2.4
117.07006	6.3
119.08560	46.8
121.06490	15.7
121.10119	26.2
121.10990	1.3
123.04338	1.4
123.08056	5.8
123.11660	4.5
125.05974	3.0
125.08749	2.1
125.09612	33.8
127.07515	6.0
127.11167	3.0
128.06143	3.0
129.06964	4.8
130.07733	2.0
131.04890	1.6
131.08534	14.5
133.06456	4.0
133.10101	31.3
135.08023	7.7
135.11659	30.2
137.05904	3.3
137.09561	4.1
137.13289	1.7
139.07524	2.2
139.11159	1.6
141.06934	1.2
142.07722	3.2
143.08534	7.2
145.06451	4.7
145.10098	25.8
147.08005	11.9
147.11659	79.8
149.09622	5.9
149.13208	5.7
151.07455	1.5
151.11125	2.2
153.09128	1.7
153.12697	13.8
156.09222	1.8
157.06459	2.4
157.10089	12.8
159.07982	1.9
159.11664	12.4
161.05923	5.7
161.09613	10.5
161.13219	8.1
163.11163	2.7
165.09056	4.6
165.12729	12.2
171.11662	7.6
173.05933	4.1
173.09633	2.1
173.13199	8.1
174.10310	1.4
175.07574	5.6
175.11145	16.5
175.14778	12.3
176.04657	1.7
177.12634	1.7
179.10637	9.1
189.05402	1.3
189.09050	2.4
189.12718	6.5
189.16339	43.2
190.06194	1.4
191.06996	5.2
191.17967	1.3
193.08517	1.5
193.12151	2.0
193.15813	3.8
199.07509	1.5
199.11111	7.1
199.14752	6.1
203.06894	1.5
207.10194	2.5
207.17352	2.4
217.08646	2.9
217.12292	20.8
217.15834	41.2
217.19360	3.8
220.79993	1.1
223.70912	1.1
232.43777	1.1
235.07635	2.0
235.09630	9.6
235.13362	14.9
235.16853	100.0
235.20230	9.5
236.17143	2.2
239.05644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	Axinysone B
Peak:m/z	Relative Intensity
53.03923	1.8
55.01844	3.2
55.05504	6.6
57.03400	1.2
57.07069	4.2
59.04994	10.1
65.03913	0.8
67.05164	0.9
67.05497	9.0
69.03419	7.5
69.07062	28.1
69.88251	0.7
70.59805	1.9
71.04957	3.4
77.03905	1.2
79.05066	1.3
79.05482	15.9
81.03395	1.2
81.06588	1.7
81.07046	30.5
83.04961	6.1
83.08604	4.1
85.02877	0.9
85.06508	2.7
86.09693	24.3
91.04971	1.1
91.05473	15.0
93.07035	25.2
95.04971	8.5
95.08044	1.2
95.08595	18.9
97.06522	14.6
97.10126	2.3
99.04420	2.4
99.08060	1.0
101.06014	0.8
103.05438	1.3
105.07021	44.1
106.07314	1.3
107.04945	7.6
107.08585	25.4
109.02861	0.8
109.06503	21.9
109.10134	8.2
111.04407	1.3
111.07346	1.3
111.08064	18.1
113.05955	3.0
115.05364	1.9
117.07003	3.9
119.04935	0.8
119.08569	27.8
121.06491	37.8
121.09338	0.8
121.10123	14.1
122.06670	0.9
123.04378	2.4
123.07326	1.0
123.08069	11.7
123.11670	8.5
125.05966	2.3
125.09592	2.1
127.07532	7.9
128.06187	3.4
129.07030	4.3
131.08557	7.6
133.06482	19.9
133.10112	26.4
135.04396	1.9
135.07120	1.5
135.08041	19.4
135.11696	5.6
137.05916	3.1
137.09587	5.0
139.07545	4.5
139.11111	2.3
141.06984	1.7
142.07784	4.8
143.08528	7.6
144.09285	1.4
145.06422	2.2
145.10101	8.2
147.04416	0.9
147.06938	0.9
147.08037	13.3
147.11667	19.4
149.09624	4.8
149.13208	3.4
151.07527	47.2
151.11134	4.6
155.08469	1.1
156.09288	3.3
157.06497	1.2
157.10123	15.4
159.08046	1.7
159.11665	7.2
161.05957	2.3
161.09604	11.3
161.13252	5.0
163.11137	5.3
163.14758	2.5
165.09038	2.9
165.12744	5.2
166.07785	1.3
171.11678	10.4
173.05869	1.9
173.09581	2.1
173.13225	10.4
175.07516	1.6
175.09760	1.5
175.11156	21.8
175.14806	8.0
176.11501	1.5
177.09193	1.1
177.12724	21.2
179.10646	4.9
181.10052	3.3
184.08813	1.0
189.05415	1.0
189.09065	1.5
189.12711	14.1
189.14275	1.4
189.14621	1.0
189.16356	15.0
191.14282	13.1
192.11327	1.3
193.12206	6.4
193.15703	1.2
199.09473	1.2
199.11168	14.6
199.14835	6.0
202.13525	1.5
205.15781	1.0
206.04790	0.9
207.17458	5.0
217.12239	32.4
217.15808	26.8
218.12607	1.3
218.16055	1.2
235.09529	3.4
235.13330	25.4
235.16844	100.0
236.17133	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	234.084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.3
55.01853	10.1
55.05508	21.0
56.05015	4.5
56.96555	66.9
57.03426	28.6
57.07059	6.1
58.99872	3.1
59.04986	8.4
60.04500	8.6
61.02919	32.1
61.74554	3.1
64.00245	3.0
65.03942	4.2
67.05478	11.5
69.03424	58.2
69.07043	7.7
70.03725	3.8
70.06596	16.6
71.01343	6.8
71.04978	9.4
72.08135	4.5
72.93758	3.7
73.02912	33.7
74.06062	8.2
77.00890	4.4
79.01842	6.6
79.05477	7.8
81.03403	20.0
81.07030	5.4
83.04969	26.7
84.04488	3.9
84.08128	11.7
85.02416	6.0
85.02895	77.2
85.06506	4.0
86.06046	12.8
86.09692	6.0
87.04460	21.0
88.07619	9.2
89.06018	7.9
91.03915	4.4
91.05462	10.4
95.04929	6.0
96.04470	4.0
97.02879	58.4
98.06055	5.2
98.97572	40.8
99.04445	14.4
99.06142	3.4
100.99114	6.5
101.00855	12.9
101.06008	10.5
102.05502	5.9
103.02412	7.0
105.07056	4.9
107.04939	47.0
107.08564	3.9
109.02880	13.7
110.07138	4.0
110.97514	4.7
111.02846	4.1
111.04431	35.0
113.02379	4.6
113.05981	6.9
115.02399	7.5
115.03867	4.5
116.98618	35.5
119.01903	73.3
119.02763	2.8
119.04911	7.7
119.08547	4.2
120.02004	22.1
121.01611	12.1
121.02849	13.6
121.06525	4.7
125.02363	5.4
127.03918	26.4
128.02197	3.3
128.98630	3.8
129.03879	4.3
129.05453	10.7
130.08635	4.0
131.00153	9.7
131.01881	27.8
131.99657	7.3
132.02014	4.5
133.01695	6.8
133.03502	17.3
134.99664	17.6
135.03082	5.7
135.04323	4.2
136.02763	7.2
136.06192	5.5
137.02898	19.3
137.04939	6.3
137.05946	42.6
138.03076	5.8
138.05270	7.0
138.06317	5.8
142.03526	5.9
143.01872	28.5
143.03316	6.1
143.05510	3.6
144.01994	5.8
145.01692	7.3
145.03439	30.8
145.04980	7.2
146.03568	6.0
146.99612	8.0
147.03227	8.4
147.04366	6.9
147.05797	7.4
148.04973	4.7
149.01178	8.7
149.02911	4.1
150.00732	8.6
150.96893	5.8
151.02654	4.3
151.06201	3.3
152.04823	4.1
153.01811	97.9
153.05707	16.2
154.02110	9.5
155.01857	13.8
155.04767	3.5
155.06996	26.4
156.01874	5.4
157.03432	14.4
158.03659	7.7
158.11775	31.7
158.99655	9.4
159.05089	4.8
160.04617	4.7
160.06479	16.9
161.01378	6.6
161.02921	45.8
161.06654	7.7
162.01872	4.4
162.03111	15.8
162.06317	22.6
162.99086	4.1
163.02681	13.0
163.04492	10.4
167.05582	5.6
167.06999	13.2
168.05298	6.0
169.03426	10.0
170.03407	6.2
170.05074	5.3
171.05023	11.4
172.04634	3.8
173.03000	22.2
173.04279	4.5
173.06746	5.5
173.08087	39.9
174.03069	6.9
174.06596	8.7
175.02666	6.6
175.04478	10.5
177.00635	11.0
177.05957	5.6
177.55049	5.6
179.02055	3.6
181.05023	9.0
183.05040	3.9
183.98613	3.6
184.05905	4.7
185.01283	4.4
185.02858	7.5
185.06564	10.3
187.04468	9.7
187.92769	6.2
188.04352	7.9
188.09248	9.1
189.00716	7.5
189.02373	11.8
189.04239	5.7
189.06033	13.4
191.02353	4.8
191.07645	4.5
192.04161	8.2
192.07806	20.9
193.00143	9.8
193.03670	14.3
193.07436	6.4
195.05040	6.6
199.04385	4.0
199.09721	4.5
201.00758	4.9
201.02428	7.0
201.56065	4.7
202.05678	4.2
203.03957	9.9
203.07658	6.3
205.03705	5.4
205.05547	7.4
205.08882	4.6
207.05223	6.3
207.07066	8.6
208.99638	5.0
210.00041	7.0
211.00954	6.7
211.04578	12.8
214.09441	6.0
217.10709	100.0
219.01678	5.1
219.05150	4.8
221.05093	8.6
223.06360	12.1
225.05879	4.4
225.08156	6.7
229.01788	6.1
229.12875	4.8
230.05046	4.0
232.05922	6.3
233.58403	4.5
234.05247	12.1
234.07628	24.2
234.10100	19.4
234.13312	6.7
234.18213	15.8
235.02812	6.2
235.04774	7.5
235.06757	5.4
235.11810	4.9
245.05038	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	233.0804
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
55.01857	0.4
55.05513	0.7
57.03429	0.6
57.07060	0.5
60.96724	0.3
62.09473	0.3
63.42739	0.3
67.05486	1.1
69.03397	0.6
69.07053	1.3
69.74703	2.4
71.04980	0.5
79.05476	1.4
79.64830	0.3
81.03394	0.4
81.07040	2.4
83.05001	0.6
83.08595	0.5
89.18278	0.3
91.05457	3.1
93.07026	2.6
95.04962	0.9
95.08595	2.2
97.06583	0.4
98.21453	0.8
103.05478	0.9
105.07018	2.7
107.04961	0.7
107.08561	2.5
109.06502	0.6
109.10147	1.1
110.40244	0.3
115.05428	1.7
116.06239	2.0
117.06973	1.9
119.04919	0.4
119.08563	3.0
121.06496	0.7
121.10149	1.8
123.08050	0.3
123.11639	0.5
125.09606	0.4
128.06203	9.8
129.06982	19.2
131.04904	1.9
131.08540	4.9
133.06558	0.4
133.10100	1.4
135.08012	0.7
135.11661	0.7
137.05901	0.4
137.09557	0.9
139.07594	0.3
141.06946	1.0
144.05664	3.8
145.06450	3.6
145.10085	3.1
147.07999	4.1
147.11694	1.3
149.13245	0.4
155.04898	0.7
155.06035	1.1
156.05659	1.2
157.06468	2.5
157.07622	1.7
157.10092	0.5
159.04366	0.6
159.08028	14.6
159.11652	1.9
160.05043	0.4
161.05911	0.8
161.13208	0.4
163.07513	1.2
163.11143	0.9
169.06433	0.5
169.10149	0.5
171.04414	1.3
172.05159	12.3
173.05962	2.6
173.09583	2.2
173.13205	1.7
174.06763	1.4
175.07518	1.0
175.11183	0.6
177.09041	0.9
185.05853	1.6
187.07516	52.2
187.14777	1.3
188.07916	0.5
189.09100	1.1
189.12869	0.4
190.06203	0.7
191.06917	0.6
191.10666	0.4
200.04659	14.8
201.05325	0.7
203.06932	0.4
205.04823	1.7
205.08582	4.2
215.06993	100.0
215.13998	1.6
215.17815	1.4
216.07353	1.4
218.05722	0.5
233.08044	84.6
233.11775	2.9
233.15300	4.1
233.18901	2.1
233.20889	1.0
234.08360	0.9
244.27948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0804
Annotation	Ancistronaphthoic acid A
Peak:m/z	Relative Intensity
55.05490	0.7
56.06657	0.4
57.07065	0.4
67.05486	0.8
67.06866	0.3
69.07059	0.7
70.93485	0.5
70.93816	0.8
70.98444	0.3
79.05492	1.0
81.07031	1.5
91.05467	1.9
93.07014	1.0
95.08583	1.4
103.05425	0.9
105.07024	2.0
107.04926	0.5
107.08582	1.2
109.10123	1.0
115.05438	3.1
116.06202	1.0
117.06994	4.1
118.07766	0.4
119.04925	0.5
119.08550	1.7
119.09320	0.4
121.06474	0.5
121.10104	0.8
123.11680	0.4
124.05234	0.5
127.05395	1.3
128.06209	12.1
129.06985	44.9
130.07744	1.7
131.04909	5.5
131.08543	8.4
133.06403	0.9
133.10112	1.6
135.04338	0.4
135.11752	0.5
137.05884	0.4
137.09549	0.5
141.06943	1.1
143.08543	1.6
144.05684	6.7
145.02829	0.4
145.06462	8.9
145.10065	2.3
146.03618	0.4
146.07245	6.4
147.08037	0.5
147.11659	0.8
149.06021	0.8
155.04895	12.1
155.06023	1.5
156.05678	0.8
157.06467	13.5
157.09955	0.4
158.07257	12.1
159.04391	6.0
159.08047	2.3
159.11687	1.3
160.05211	2.4
161.05952	2.0
161.09570	3.4
163.07501	0.8
163.11127	1.0
169.07701	0.5
171.11650	0.4
172.05164	11.5
172.08815	0.7
173.05965	6.4
173.09593	1.3
173.13239	0.8
174.06740	66.4
175.07516	10.2
177.05392	1.3
177.09074	1.4
183.04460	2.4
187.07518	48.8
187.11078	1.1
187.14796	1.1
188.08234	3.2
189.09079	57.5
190.02568	1.5
190.06166	0.5
190.09399	0.7
200.04636	0.9
201.05420	4.6
203.06943	0.7
203.10588	0.5
205.04927	8.4
205.08492	2.2
205.12399	0.4
215.06973	27.3
215.10641	1.1
215.14304	1.1
215.17908	1.0
216.07431	0.5
218.05687	0.7
231.06564	0.4
233.08046	100.0
233.11810	2.7
233.15245	3.3
233.18803	2.1
234.08377	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
55.05491	2.2
56.96561	3.8
57.03416	3.1
57.07044	0.7
58.06551	0.8
58.99599	0.8
58.99863	1.9
59.04984	0.7
59.36338	0.7
61.02913	4.7
67.05477	2.5
67.77747	0.6
68.98265	1.7
69.03413	6.2
69.71462	5.1
70.06580	3.4
70.99851	1.1
71.04962	1.3
72.08163	0.7
73.02898	3.6
76.08416	0.7
77.00892	1.9
79.28401	0.6
81.03392	2.1
82.99874	2.2
83.04945	2.6
84.04467	0.9
85.01393	5.1
85.02900	5.4
85.06554	3.2
86.09669	1.2
86.99309	2.2
91.02454	1.5
93.03389	0.6
94.02636	2.0
95.01321	1.7
95.01890	1.0
95.04950	1.5
97.02865	2.7
98.20860	1.4
98.21460	1.5
98.97557	3.2
99.04462	0.8
100.02494	0.9
101.00863	21.9
101.06013	0.6
103.00620	2.6
103.02435	20.2
103.03127	1.4
104.10724	0.8
105.00357	1.8
108.02388	1.4
109.02878	1.3
110.97526	1.0
111.04392	1.3
112.07619	1.3
113.00832	1.5
113.02373	3.3
115.02421	4.1
116.98598	1.8
117.02235	0.7
117.03986	6.8
118.03623	1.1
119.01906	85.3
120.01955	3.9
121.01660	11.2
121.03482	11.8
123.01333	0.7
124.01794	0.8
127.02418	2.2
127.03932	1.3
128.98528	1.6
129.00319	2.5
129.03934	2.7
130.03712	0.9
131.01883	9.5
133.01682	1.8
133.03442	13.2
134.13322	0.6
134.99570	0.9
135.03229	1.2
135.05025	8.5
137.02937	26.4
139.02545	2.6
139.04176	1.6
141.03935	2.1
142.03505	3.0
143.00171	0.7
143.01854	5.5
144.09003	0.9
145.03444	46.2
146.03621	1.3
146.99515	1.7
147.01369	26.3
147.03140	1.2
147.04985	5.9
147.71144	0.7
148.01372	0.7
148.04703	5.4
149.00951	1.3
149.02931	3.2
149.06570	1.0
149.68575	0.6
151.04477	2.7
153.01811	1.5
153.03969	1.0
155.01822	1.7
157.03447	13.6
157.04878	1.0
157.05296	1.3
158.03093	0.7
158.06602	1.0
158.99628	0.8
159.01353	1.8
159.03204	0.9
159.05009	5.9
161.02937	27.2
161.04321	1.4
163.04501	26.7
165.02434	9.2
165.06091	1.7
167.01845	1.9
168.04974	2.0
169.03386	3.3
170.99803	1.1
171.01353	14.6
171.02802	0.6
171.05003	11.6
173.02946	7.1
173.06566	3.1
175.04523	6.0
177.00792	0.9
177.02463	1.3
177.04497	0.7
177.06161	3.2
177.07445	1.0
179.04016	5.7
180.05035	2.6
183.03439	1.8
183.05028	2.2
184.04526	0.7
185.01300	1.8
185.02924	24.6
185.06590	5.3
185.11162	0.8
187.00914	1.2
187.04501	7.9
189.00826	4.7
189.02425	100.0
189.05965	7.4
190.02414	0.9
190.03871	1.2
190.06049	0.7
191.03990	4.1
191.07623	2.5
195.05083	0.9
195.07100	1.4
196.06084	0.9
199.00861	1.8
199.04480	5.9
199.06207	1.1
200.04390	2.2
201.02402	2.7
201.06096	1.8
203.02232	1.3
203.03976	12.6
203.07588	6.8
205.05531	3.6
207.01831	1.2
207.03477	28.1
207.06992	1.4
208.04544	25.5
208.55197	1.2
209.04793	0.9
212.04031	4.0
213.02351	1.0
213.06038	2.3
213.07803	1.0
217.00114	2.6
217.02043	1.4
217.05629	0.9
219.03534	6.1
219.07054	1.0
223.06616	3.1
226.05585	4.0
231.03481	41.5
231.07126	31.4
231.11139	1.9
231.13802	1.3
231.15985	7.1
232.03752	1.2
249.04514	18.3
249.08347	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69646	0.7
55.01860	1.8
55.05496	1.7
56.96291	1.0
56.96557	18.5
57.03413	3.0
57.07055	1.2
58.99843	1.2
59.04984	1.2
60.04503	0.9
60.24807	0.7
61.02901	2.7
62.48636	0.8
67.05477	3.2
69.03414	6.0
69.07051	1.6
70.06578	2.1
70.38270	1.1
70.38615	2.8
71.01338	1.5
71.04976	2.2
73.02901	3.6
73.06534	2.3
77.00897	1.6
79.05487	1.3
81.03393	2.8
81.07040	2.0
82.99858	2.1
83.04971	4.2
84.04468	1.1
84.08127	1.2
84.96027	1.8
85.01408	1.2
85.02892	8.3
85.06536	3.0
86.09688	2.1
86.99306	1.8
87.04454	2.1
91.02409	0.9
91.05469	1.0
95.01289	1.0
95.04964	2.3
97.02874	8.4
97.06500	1.3
98.20849	1.1
98.97576	12.3
99.04439	2.7
99.97930	1.0
101.00847	8.6
103.02435	14.9
103.03115	0.7
105.00359	1.7
105.07003	1.3
107.04951	1.5
107.08586	1.2
109.02871	2.5
109.06487	1.0
111.04440	1.6
112.07573	1.8
112.99174	0.9
115.00629	1.0
115.02390	1.3
115.97878	0.9
116.98615	15.2
117.03973	5.3
117.07013	0.8
119.01905	69.5
119.08565	1.1
120.02013	1.1
121.01651	2.7
121.03482	15.1
124.07597	6.8
125.02363	1.0
127.00727	0.8
127.02408	1.3
127.03886	2.7
128.07086	1.6
128.98624	1.8
129.00337	1.1
129.04010	0.8
129.05428	1.2
130.06488	2.2
130.08627	1.7
131.00166	2.7
131.01894	5.6
131.05525	1.3
133.01643	1.1
133.03482	4.8
134.99644	17.1
135.05032	8.1
135.99976	1.0
137.02939	29.4
137.03998	1.4
137.05945	1.7
137.27469	0.9
139.02544	1.2
140.00116	1.4
142.03491	2.9
142.08641	1.0
143.00111	2.6
143.01901	3.2
145.01657	3.2
145.03450	37.3
145.04666	1.7
146.00891	0.8
146.03596	1.6
146.99593	4.3
147.01370	17.9
147.05038	1.7
149.01172	2.5
149.02966	1.6
149.06635	4.3
151.04503	1.9
153.00682	2.6
153.01808	9.1
154.02194	1.6
155.04567	0.9
157.03487	4.5
157.07567	2.3
157.10121	1.4
158.99559	2.0
159.01399	1.9
159.03107	1.6
159.04976	3.5
160.04512	1.4
161.01224	6.6
161.02942	18.5
162.99173	1.6
163.02785	6.6
163.04491	28.6
165.00772	0.8
165.01009	1.0
165.02455	9.8
167.55231	1.7
168.05081	3.0
170.08205	1.3
170.99797	1.5
171.01352	12.9
171.02812	1.6
171.04988	2.9
173.02896	3.9
173.06552	3.4
175.04480	2.5
175.54126	1.6
177.00688	4.7
177.02354	1.8
177.04315	1.5
177.06020	3.2
179.02328	1.6
179.03979	5.7
181.00124	1.1
181.03844	1.1
183.03511	3.1
185.01248	3.0
185.02948	13.0
185.06821	6.0
185.13336	1.0
186.04462	1.3
186.06047	1.4
187.02718	2.7
187.04518	5.5
187.10823	3.8
188.04224	1.3
189.02423	100.0
189.04166	4.4
189.05786	5.6
190.02423	1.9
191.02403	1.0
191.04062	1.9
191.07646	2.8
201.02351	2.2
203.02252	1.3
203.03947	4.8
203.07582	8.8
204.05473	1.9
205.03857	5.2
205.05568	2.8
207.01854	1.1
207.03485	25.7
207.05278	2.8
207.07034	1.1
208.04404	10.6
208.99701	1.3
211.04831	1.0
212.04060	8.2
213.06073	2.2
217.05481	0.9
219.01714	1.4
219.03540	2.7
221.05019	1.5
223.04750	1.1
226.05606	1.9
230.05161	1.3
231.03462	43.9
231.07060	18.8
231.10832	1.4
231.13896	3.8
231.20958	2.0
231.57388	1.5
237.02730	1.8
248.99178	1.2
249.04518	19.7
249.08247	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	230.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.1
56.96540	4.9
57.03426	3.5
65.03905	1.5
67.05482	4.9
69.03407	5.2
69.07046	2.9
69.81715	5.2
70.06556	3.8
71.04966	3.2
72.08119	1.7
73.02874	1.7
79.05481	2.3
79.32836	1.3
81.03410	2.7
81.07024	4.1
82.06544	4.0
85.02893	2.7
86.06062	8.1
86.09691	2.5
87.04412	1.8
91.05457	2.8
93.07003	2.8
94.06554	10.7
95.04939	3.9
95.08572	2.8
96.08100	1.9
97.02872	7.3
97.06508	2.7
98.06031	11.6
98.97556	2.8
99.04446	1.3
105.06974	2.6
106.06525	1.4
107.08572	1.9
108.08109	3.4
109.06519	2.5
110.06025	12.8
111.06770	1.6
111.08026	1.8
112.07590	3.6
113.05952	2.0
115.54135	1.4
116.98569	3.0
119.04910	1.3
119.08514	2.0
120.08084	2.3
120.08891	1.6
122.06008	25.2
122.09660	2.8
123.06815	1.6
123.08017	1.4
124.07561	8.2
126.05471	1.4
127.03889	1.9
131.08469	2.8
133.08849	2.4
134.09598	4.0
134.99597	3.5
135.08049	2.5
136.07555	8.7
136.11165	2.2
138.09134	8.8
139.07515	3.8
139.51855	1.3
140.07036	24.6
146.09648	1.5
148.07492	1.5
148.11157	8.2
149.09618	6.0
150.09070	2.9
153.01787	8.4
154.08607	38.6
156.10193	2.9
157.06444	1.5
166.08430	1.6
166.12257	9.3
167.10600	3.3
168.10066	1.8
169.25124	1.3
176.10672	7.0
182.08063	1.9
194.08104	7.0
194.11769	22.8
206.98264	2.9
209.07462	1.9
212.09323	3.8
212.12787	13.7
230.10149	4.6
230.13823	100.0
250.55217	1.5
254.27580	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01862	3.7
55.05505	4.0
56.96558	50.2
57.03426	5.0
58.44321	1.3
58.99882	1.6
60.04528	1.6
61.02917	4.1
67.05500	3.5
69.03421	12.9
69.07061	2.0
70.06590	11.6
70.13081	1.4
71.04980	6.1
71.06950	1.6
71.62000	2.8
71.95236	1.7
72.93793	2.4
73.02895	4.6
73.06530	1.7
77.00885	2.2
79.01848	3.9
79.05484	3.1
81.03406	7.0
81.07034	1.6
82.06569	1.5
83.04961	4.6
83.09700	1.4
84.04475	3.0
84.08141	2.7
84.96003	2.6
85.02911	10.2
85.06540	2.0
86.06062	10.3
86.09709	3.0
87.04454	2.2
90.94803	2.0
91.05466	3.7
95.01302	5.1
95.04928	3.1
96.04442	1.5
97.02882	15.2
97.06541	1.7
98.03225	1.8
98.06041	14.9
98.97571	83.0
99.04444	2.9
100.02416	2.2
101.00866	8.2
102.96896	1.7
103.02426	7.1
105.00361	1.5
109.02866	4.9
111.04446	2.5
111.14005	1.4
112.07596	4.9
113.96386	2.0
114.06655	4.7
115.02464	1.7
116.07109	1.8
116.98602	100.0
117.03337	2.1
117.04072	2.2
118.03526	4.2
119.01900	45.5
119.04903	2.2
120.01992	2.8
121.01677	3.2
121.02785	4.1
121.03472	4.8
121.06525	1.6
122.05991	2.1
123.04414	3.4
124.07594	1.4
125.02393	1.6
127.03909	4.1
128.03429	2.2
128.98610	3.5
131.00200	1.8
131.01880	5.5
131.03664	1.8
131.97458	5.8
132.05049	2.3
133.03513	2.9
134.99643	90.4
135.05083	1.9
136.04587	2.6
137.02948	14.3
137.05978	11.2
138.06339	2.0
139.02646	2.4
139.03992	2.1
140.00211	2.1
140.06961	1.5
141.05473	1.7
142.08597	1.5
143.00133	4.2
143.01941	3.1
143.03421	3.6
143.09027	3.1
144.05057	2.1
145.01645	2.0
145.03471	17.8
145.04591	2.0
145.05063	2.2
146.99648	3.6
147.01401	7.8
147.03259	6.7
147.05048	3.9
149.01196	2.2
149.02954	3.0
149.06580	3.3
150.06108	2.0
151.04613	1.5
152.07071	2.5
153.00682	19.5
153.01828	30.4
154.02148	1.7
155.04568	1.6
157.03398	2.4
158.01260	5.3
158.03017	1.5
158.06587	2.8
158.99605	1.9
159.01501	1.8
159.05025	2.2
160.04654	1.4
161.01196	6.8
161.02936	10.7
162.99100	3.0
163.02679	3.7
163.04414	11.9
165.00694	2.5
165.02480	3.5
165.04256	10.0
165.05537	1.8
166.04900	2.8
166.09808	1.6
167.06969	2.7
169.03352	2.4
170.02899	1.5
171.01404	4.2
171.05058	2.7
173.02896	3.2
174.04355	2.4
176.07700	2.0
177.00719	4.5
177.02309	2.4
179.02335	2.4
179.03938	2.2
182.08115	2.4
183.03285	1.5
183.05186	3.0
184.10832	4.0
185.01375	2.0
185.02957	5.0
185.06610	1.8
186.06154	2.0
187.02899	1.6
187.04488	4.9
188.04134	1.8
188.06065	2.3
188.07745	2.1
189.00729	3.0
189.02432	40.8
189.04337	42.8
189.05968	3.0
192.05173	1.4
194.04745	2.3
194.08147	5.5
201.00734	1.7
202.05319	1.7
203.02277	2.6
203.05562	3.2
203.07611	2.9
204.05258	2.7
204.10684	2.2
205.03745	1.8
205.05588	3.1
206.05336	1.8
206.07120	2.3
207.01857	3.5
207.03520	9.5
207.05363	84.8
208.04453	2.5
209.05692	2.6
212.04100	2.2
212.07614	8.7
212.09372	2.4
213.05916	2.1
217.05412	2.4
218.05963	2.0
219.07062	2.9
221.05031	3.0
225.06404	6.0
230.04913	3.0
230.06815	7.3
230.08821	10.8
230.11293	8.7
230.13780	2.9
230.15791	14.0
231.03465	15.2
231.07111	5.0
233.05185	2.2
237.02888	2.3
239.04384	2.3
249.04553	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	229.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15877	1.6
55.01863	3.5
55.05504	69.8
57.03423	6.9
57.07076	10.7
59.05000	13.6
67.05494	35.2
69.03419	20.3
69.07058	29.1
71.04987	14.3
71.62859	2.3
79.05495	8.5
81.03420	12.7
81.07047	38.3
83.04973	70.7
83.08610	50.7
85.02886	3.3
85.06535	38.4
85.07064	1.8
87.04462	4.3
91.05476	11.8
93.07032	19.3
95.04964	15.5
95.08597	31.3
97.06503	5.5
97.10168	11.3
99.08070	16.0
101.06009	12.2
105.07024	15.4
107.08584	37.5
109.06508	4.5
109.10144	97.3
111.08092	11.8
113.05999	3.0
113.09613	4.9
115.05474	2.0
117.07021	2.5
119.05040	1.6
119.08573	18.8
121.10123	10.9
123.08097	4.0
123.11694	42.0
125.09628	20.5
127.11181	40.2
129.07013	2.8
131.08574	5.3
131.50330	1.6
133.10085	16.8
135.11678	34.4
137.09637	6.0
137.13240	2.5
141.12747	3.6
143.08566	2.9
145.10155	4.4
147.11682	9.7
149.13252	17.3
151.11140	9.9
151.14835	4.0
153.12759	14.0
155.08644	1.8
155.10666	4.3
157.10149	3.2
159.08002	2.7
159.11682	5.2
161.96606	1.7
165.12799	4.0
165.16431	3.7
167.07118	3.4
167.14307	38.8
169.12224	59.7
171.13795	2.3
173.09587	2.3
173.13269	4.3
175.11195	4.3
175.14795	16.7
183.11714	5.2
185.13820	2.0
185.15314	13.1
187.11124	1.9
187.14551	1.6
193.12239	17.2
193.15858	28.9
201.09187	3.1
211.13408	19.4
211.16904	100.0
229.08774	4.9
229.12233	6.5
229.14038	3.7
229.15857	6.2
229.17719	26.5
229.19450	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	229.1794
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
53.03946	2.5
55.01862	2.9
55.05503	55.2
57.03421	3.5
57.07058	6.6
59.04993	11.1
63.75215	1.5
67.05495	25.7
69.03410	18.9
69.07060	21.6
69.85620	5.2
69.86031	3.9
71.04987	12.5
77.22268	1.4
79.05479	6.7
81.07045	29.1
83.04968	58.6
83.08604	42.1
83.09098	2.2
85.06533	29.0
87.04451	3.9
91.05479	7.3
93.07040	22.5
95.04959	6.6
95.08588	22.2
97.02865	1.7
97.06507	3.7
97.10159	9.3
97.92702	1.8
98.20817	2.3
99.08080	20.1
101.06022	8.2
105.07026	10.2
107.04952	2.0
107.08575	34.8
109.06497	2.5
109.10139	78.0
111.08087	5.5
111.11709	1.8
113.06033	3.4
113.09626	2.0
119.08570	15.5
121.10138	16.5
123.04353	1.8
123.08089	2.4
123.11687	45.6
125.09609	25.8
127.07571	1.7
127.11175	38.1
131.08533	3.5
133.10124	12.7
135.04376	2.4
135.11665	26.9
137.09589	3.4
140.04666	1.8
141.06996	2.7
141.12694	2.7
143.08446	1.7
145.06383	1.7
147.11681	6.2
149.13231	18.6
151.11156	11.0
151.14761	2.8
153.12721	7.1
155.10620	2.3
157.10196	1.6
159.11766	1.8
165.12715	2.9
167.14297	42.1
169.07639	2.2
169.12216	52.0
173.09566	1.7
173.13222	2.6
175.14786	13.6
183.08037	2.5
183.11642	3.4
185.15356	15.2
193.12344	1.9
193.15852	20.4
201.09055	2.2
201.12753	1.9
211.16901	100.0
212.17253	1.5
229.04944	3.4
229.08531	12.1
229.12151	2.8
229.14211	2.0
229.17735	25.4
229.19804	3.0
229.23438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	59.8
57.03420	4.4
57.07057	7.2
59.04993	8.4
67.05500	25.1
69.03422	13.3
69.07060	24.3
69.13235	1.5
69.83600	11.1
71.04989	12.7
79.05459	5.3
81.06578	2.2
81.07046	27.9
83.04970	58.3
83.08604	31.5
85.06075	1.9
85.06536	28.0
87.04440	3.0
91.05453	5.2
92.21472	1.5
93.07043	16.7
95.04981	9.4
95.08036	2.5
95.08590	24.2
97.06505	5.2
97.10152	5.6
98.20852	2.1
99.08086	16.9
101.06002	10.6
105.07002	6.6
107.08581	33.1
109.06525	3.4
109.10146	86.1
111.08065	7.7
113.05978	2.2
119.08556	11.8
121.10126	12.4
123.08064	2.5
123.11700	44.6
125.09603	20.4
127.07475	2.2
127.10276	2.6
127.11179	33.5
133.10135	10.3
135.11684	30.2
137.09647	3.4
143.08524	2.6
145.10101	2.4
147.11676	3.7
149.13228	14.6
151.11156	14.1
151.14801	5.2
153.12718	9.6
155.10670	2.8
159.11665	3.3
161.93672	1.6
165.16399	1.9
167.07033	2.6
167.14302	35.5
169.12234	50.3
171.13878	2.3
175.14784	13.8
179.05890	1.8
183.11707	3.6
185.15344	11.6
187.11205	1.9
193.12187	2.0
193.15829	17.9
211.16905	100.0
220.95320	1.8
229.08580	5.8
229.12262	3.9
229.15849	4.2
229.17847	25.8
229.19786	2.5
242.31566	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1794
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03935	1.7
55.01854	1.8
55.05502	41.4
57.03405	3.6
57.07053	5.2
59.04984	8.6
67.05162	2.4
67.05493	22.5
69.03416	14.4
69.07058	19.5
69.40991	2.3
69.41393	8.9
71.04981	12.6
73.31672	1.2
75.13103	1.1
75.83242	1.0
79.05483	5.2
81.03376	1.1
81.07044	24.2
83.04971	45.2
83.08127	2.4
83.08604	35.1
85.06526	22.8
86.06037	1.4
87.04443	4.2
91.05451	4.4
93.07024	12.9
95.04958	6.0
95.08590	18.1
97.06524	3.4
97.10183	7.9
98.06033	1.3
99.08071	13.1
99.17199	1.6
101.06009	6.3
105.07001	9.2
107.08580	24.1
109.06474	2.6
109.10139	67.2
111.08084	5.3
113.05960	1.8
113.09663	2.0
117.07021	1.1
119.08571	9.8
121.10133	10.0
123.08081	3.0
123.11686	38.8
125.09609	17.1
127.11164	34.6
131.08522	1.2
133.10123	6.5
135.11661	18.3
137.09596	4.2
139.11121	1.5
141.12698	1.5
143.08562	1.8
145.10135	1.8
147.11658	5.2
149.13239	14.7
151.11163	9.6
151.14774	2.7
153.12715	5.0
155.08571	1.2
155.10609	3.1
157.10078	1.9
159.11626	1.9
165.12779	2.9
165.16420	1.3
167.07045	1.6
167.14287	39.0
169.08839	1.5
169.12206	43.0
173.09642	1.4
173.13176	1.6
175.14795	9.7
183.11604	1.3
185.15329	14.0
193.12263	1.4
193.15848	18.4
211.16893	100.0
229.08636	4.4
229.12236	4.4
229.14098	1.9
229.15877	2.8
229.17862	20.9
229.19754	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73903	0.2
55.01866	0.6
55.05505	0.2
56.48634	0.2
56.96560	1.0
57.03432	0.6
58.06595	4.8
59.07373	1.0
59.58756	0.2
60.08157	5.6
61.02921	0.4
66.41521	0.2
68.05024	0.8
69.03426	0.8
70.02085	0.7
70.02497	0.3
70.06583	27.2
72.08144	0.4
72.40916	0.2
73.02895	0.4
81.03415	0.4
81.07053	0.2
85.02901	0.8
95.01366	0.2
96.08131	0.8
97.02879	0.5
98.03198	0.2
98.06044	0.7
98.97577	1.8
101.00861	1.3
102.00916	0.2
111.04406	0.2
113.03488	0.5
114.05518	3.6
114.09145	1.4
115.02388	0.2
116.07058	1.0
116.98615	1.6
119.01897	3.8
120.01971	0.3
124.07575	2.8
125.00909	0.2
126.09135	0.7
127.03929	0.3
128.98650	0.2
131.01891	0.5
133.03427	0.5
134.99680	0.7
137.02931	1.1
137.05986	0.6
142.08617	26.3
142.25714	0.2
143.01868	0.3
143.08986	0.3
144.99771	0.4
145.03406	0.5
146.99622	0.3
153.01826	0.3
157.79680	0.2
158.99637	0.3
161.02930	0.5
162.03084	0.3
163.04276	0.2
168.99847	0.3
170.08124	1.2
173.02966	0.4
175.04356	0.2
176.04080	0.2
177.00723	0.2
177.04294	0.2
182.85075	0.2
184.04588	0.2
186.99211	0.2
187.00879	0.7
187.04489	0.4
189.04305	0.5
194.98131	0.2
196.99292	0.3
205.01903	0.5
205.03670	0.3
205.05492	0.3
205.98720	0.3
207.05374	0.4
211.10834	0.2
215.00342	1.1
217.05484	0.5
224.07991	0.2
229.15443	100.0
230.06856	0.2
230.11330	0.2
230.15770	1.7
247.06548	0.3
248.08063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	Pro Ile
Peak:m/z	Relative Intensity
52.33663	0.2
55.01875	0.5
55.05504	0.4
57.03423	0.7
58.06591	5.5
59.07373	1.1
60.08155	7.6
61.02920	0.5
66.99081	0.2
68.05021	1.0
69.03415	1.0
69.65289	1.3
70.06582	33.5
71.04978	0.5
72.08167	0.4
73.02892	0.5
79.85623	0.1
81.03405	0.4
81.04537	0.3
83.04970	0.6
85.02896	1.9
85.06553	0.2
87.04468	0.2
88.13947	0.2
95.06084	0.5
96.08121	1.2
97.02872	1.0
98.06052	0.8
98.97520	0.2
101.00852	1.6
107.03506	0.2
110.03969	0.2
114.05519	3.7
114.09148	2.0
116.03949	0.4
116.07082	1.0
116.54008	0.2
119.01905	3.9
124.07573	3.3
126.09122	0.5
127.03925	0.2
127.05019	0.3
131.01886	0.7
131.03584	0.2
132.10184	0.2
133.03462	0.8
137.02943	0.8
138.05226	0.4
142.08615	31.0
143.08965	0.3
145.03406	0.3
147.04031	0.2
147.04985	0.7
147.05937	0.4
147.55894	0.2
148.06554	0.4
149.02872	0.2
156.06300	0.4
157.03453	0.3
161.55693	0.2
165.06079	0.3
168.99817	0.5
170.08087	1.4
171.04974	0.4
175.04475	0.5
183.07661	0.4
183.11244	0.5
187.00862	1.0
187.04483	0.2
189.06088	0.5
196.99290	0.2
215.00308	0.9
219.07150	0.2
229.15437	100.0
230.15764	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01867	14.3
55.05502	15.1
57.03401	6.7
57.07038	3.4
59.04964	4.5
67.05496	50.3
69.07062	19.3
70.06554	1.8
70.64423	6.6
71.04945	7.7
79.05476	15.4
81.07046	87.7
83.04938	7.2
83.08615	11.2
85.02892	2.2
85.06540	9.1
88.07603	2.3
91.05460	22.3
93.07043	16.1
95.04927	3.3
95.08060	2.0
95.08592	26.5
97.06525	9.3
98.05983	3.2
99.08044	3.1
99.18584	1.7
101.05977	2.1
105.07017	39.2
106.32796	1.7
107.04908	1.9
107.08581	16.3
109.06438	8.5
109.10150	28.7
111.08019	2.0
113.05968	2.1
117.06999	2.5
118.40413	1.9
119.08572	33.4
121.10132	28.6
123.08041	4.3
123.11691	40.8
127.07474	4.7
129.06940	6.3
131.08485	3.9
133.10036	8.5
137.09486	2.4
137.13205	4.9
142.07750	2.1
143.08504	2.3
145.10030	6.8
147.11671	100.0
149.09502	2.7
155.08487	2.4
157.10033	8.4
159.11589	5.2
165.12737	57.6
166.12949	2.6
167.07069	2.8
168.09291	1.9
173.09573	2.4
173.11639	9.3
173.13126	5.1
175.11136	12.4
183.11592	8.2
183.13620	4.6
193.12202	12.5
201.12694	2.0
211.13063	3.1
229.08435	4.0
229.12132	7.7
229.14185	60.6
229.16206	4.0
229.19481	9.1
229.23448	16.9
245.13919	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01862	5.0
55.05499	5.6
55.05738	0.5
57.03436	2.3
57.07080	1.7
59.05000	0.6
67.05492	18.8
69.03432	0.7
69.07055	9.8
71.05000	1.4
71.88900	0.4
79.05481	9.0
81.07041	42.9
82.07391	0.8
82.43346	0.5
83.04980	4.5
83.08610	4.8
85.02901	0.8
85.06516	3.4
90.19202	0.5
91.05465	20.4
93.07027	8.8
95.04958	4.7
95.08590	10.4
97.06509	9.4
97.10167	0.9
98.20761	1.1
99.00824	0.7
99.04459	0.5
99.08107	1.8
101.05995	0.6
105.07011	20.2
107.04941	1.4
107.08572	8.0
107.93109	0.5
109.06506	6.0
109.10139	7.9
111.04433	1.1
111.08077	0.6
113.06003	1.9
115.05447	0.7
117.07002	1.1
119.08562	20.3
121.06470	0.5
121.10128	14.1
123.08060	2.1
123.11685	20.6
127.02466	0.5
127.07547	1.4
128.06200	0.8
129.06985	6.5
131.08556	4.8
132.06578	0.6
133.06479	0.9
133.10135	7.2
135.11670	0.6
137.13232	1.5
142.07767	2.5
143.08519	0.7
145.10103	2.3
147.11664	69.4
148.12009	1.2
149.09615	2.9
155.08554	0.8
157.10098	16.1
158.10703	0.6
159.11659	1.8
165.12727	32.6
168.09319	0.9
169.10063	0.7
171.11656	1.2
173.09616	1.2
173.11734	1.2
173.13174	1.3
175.11162	17.8
183.11626	1.0
183.13777	1.4
185.13297	0.8
187.11241	1.0
193.12189	7.1
201.12752	0.7
211.13234	1.9
229.08533	1.7
229.12463	3.5
229.14273	100.0
229.19122	3.4
230.14635	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1068
Annotation	Loganetin
Peak:m/z	Relative Intensity
53.03926	3.7
55.01856	3.3
55.05505	1.8
57.03417	3.1
57.07053	2.7
58.78151	1.5
63.20027	1.5
67.05490	10.5
69.03403	4.0
69.07056	2.4
70.06583	8.2
70.96535	4.3
71.01328	2.3
71.04978	2.0
73.02865	2.0
78.38867	1.4
79.05475	15.6
81.03397	1.7
81.07040	9.2
83.04955	4.5
85.02824	1.5
86.09292	1.4
86.09698	16.3
91.05467	22.4
93.07035	38.1
94.07389	1.4
95.04966	11.2
95.06019	3.5
95.08590	19.1
97.02866	2.8
97.06509	4.4
99.00805	1.9
103.05471	3.5
105.07021	48.9
107.04894	2.2
107.08582	43.4
109.02834	4.0
109.06503	52.4
109.10157	14.4
111.04390	3.1
111.08041	4.9
113.07132	1.4
116.07079	19.6
117.07017	9.2
119.08567	88.6
121.06485	14.0
121.10101	6.4
123.04366	2.2
123.08065	23.9
125.05960	7.0
129.06953	4.8
131.08517	6.4
132.05688	1.9
133.06474	23.1
135.04367	1.8
135.08035	69.4
137.05956	11.3
137.09605	19.7
139.07494	10.5
145.06441	7.7
147.08026	59.9
149.05940	6.7
149.09596	9.7
149.40900	1.6
151.07518	18.9
153.05467	3.0
153.09074	4.8
153.83705	1.4
155.07047	17.5
162.06744	2.6
163.07516	32.8
163.97810	1.6
164.32301	1.7
165.09102	72.6
167.07047	14.5
171.06450	1.7
175.07520	18.8
181.08629	8.7
183.10236	1.9
183.11617	3.3
185.08017	12.6
193.06813	3.0
193.08578	54.8
204.85065	1.4
205.98761	10.1
211.09628	54.3
229.08798	4.2
229.10652	100.0
229.15504	9.1
229.23520	2.8
230.11053	2.0
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
51.84403	1.7
52.22685	2.0
55.01839	8.9
55.05499	26.5
57.03403	7.9
57.07047	5.6
59.04963	5.4
59.47175	1.9
65.03902	3.4
67.05494	16.6
69.03391	6.0
69.07055	27.9
71.04650	2.7
71.04977	31.7
73.02887	11.3
73.06522	2.7
79.05482	17.7
79.46297	2.2
81.03400	2.5
81.07043	39.8
82.06526	4.7
83.04968	13.3
83.08592	12.7
85.06521	16.2
87.04411	6.6
91.05449	13.6
93.06472	2.6
93.07024	44.2
95.04951	89.0
95.08036	2.7
95.08585	33.6
97.06507	25.0
97.10130	5.5
98.20710	5.6
99.04440	36.1
99.08076	23.4
100.09400	3.5
100.10680	2.7
100.11243	34.6
103.05416	4.0
105.07015	18.4
107.04881	3.6
107.08576	40.7
108.08916	2.0
108.25561	2.0
109.06493	21.8
109.10124	23.1
110.05997	3.8
111.04404	3.6
111.08079	9.9
111.11687	4.4
113.05962	4.0
113.09573	2.5
115.07525	6.7
119.08539	16.0
121.06448	8.9
121.10117	52.6
123.04366	7.5
123.08044	12.7
123.10818	2.4
123.11676	42.8
125.09594	16.2
126.09099	2.1
127.07513	8.2
128.07002	2.3
129.09189	2.0
131.04817	3.1
131.08517	7.6
133.10107	34.4
135.08022	9.3
135.11662	11.9
137.05934	6.1
137.09560	6.6
139.11150	15.4
140.04657	12.3
141.11470	9.7
141.12430	2.0
143.10608	4.4
145.10034	5.9
147.11678	16.1
149.05962	9.5
149.09616	16.1
149.13228	21.1
151.07578	2.9
151.11153	24.0
153.09074	22.2
153.12675	1.9
155.07033	15.9
161.13197	7.1
163.11186	13.0
163.14735	9.4
163.64302	11.2
165.12659	9.8
167.07025	58.3
167.10651	36.5
167.14221	4.6
168.07370	2.3
169.08537	20.1
169.12152	4.8
171.10173	11.2
171.29121	2.1
173.02170	1.9
173.09557	2.2
173.13211	14.1
177.05429	16.4
179.14215	3.5
181.04953	18.5
181.08496	4.7
181.12094	5.9
182.15326	6.2
183.13724	7.2
185.13245	2.1
191.10550	6.0
191.14229	21.4
193.03003	2.2
195.06548	2.5
199.17970	4.1
209.07965	10.2
209.11584	4.9
209.15259	39.5
213.17790	16.4
213.67787	2.7
227.08995	6.4
227.10733	3.8
227.12668	3.3
227.16313	100.0
227.67685	2.2
228.16516	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	227.1637
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.98936	1.3
53.03930	2.9
55.01855	4.2
55.05256	2.2
55.05502	25.5
57.03425	12.8
57.07045	4.0
63.28276	1.3
65.03914	2.3
67.05495	77.3
69.03410	2.9
69.06719	2.2
69.07057	26.4
70.75231	3.9
71.04996	9.3
71.08642	1.9
72.93760	1.8
73.02900	5.0
79.05483	38.9
81.03402	3.2
81.07045	100.0
83.04971	13.3
83.08611	20.9
85.02851	2.7
85.06532	7.4
89.55888	1.4
91.05459	22.1
93.07029	74.6
95.04953	11.7
95.08594	29.0
96.99538	1.7
97.06507	17.5
97.10141	7.8
99.04417	3.6
99.08073	7.3
100.11251	11.9
103.05446	2.3
105.06995	9.3
107.08581	40.4
107.18871	1.4
109.06492	4.9
109.10133	6.5
111.04478	1.6
111.08061	8.9
113.09646	2.2
113.10748	2.3
113.96349	3.6
117.06990	10.8
119.08552	4.2
121.06486	4.6
121.09299	2.8
121.10127	28.5
123.04417	1.8
123.08044	2.4
123.11676	4.2
125.05971	1.9
125.09610	6.0
131.08551	11.7
131.97403	3.1
133.10110	17.5
135.08041	4.1
135.11671	20.2
137.05908	1.4
139.11090	2.6
140.04677	4.1
143.08437	1.5
147.11664	3.9
149.05916	2.8
149.13239	75.9
151.11162	2.7
153.09084	4.7
155.06999	5.7
157.10092	4.3
159.11674	30.8
165.12753	1.7
167.07042	16.6
167.14314	2.8
171.11618	2.6
171.21645	1.5
173.13268	2.5
177.05486	4.4
177.12737	16.0
179.86143	1.4
181.02892	1.6
181.04924	6.8
181.08574	1.8
185.13268	2.0
189.11217	1.9
191.14375	2.8
195.13779	28.1
200.64240	1.6
209.07968	4.9
209.15315	4.5
213.14832	2.0
227.06929	2.1
227.10616	2.4
227.12560	12.6
227.17781	8.7
228.23299	2.0
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	MKN-003C
Peak:m/z	Relative Intensity
53.03926	1.1
55.01856	4.3
55.05504	9.4
57.03423	5.0
57.07068	4.3
59.04977	3.6
59.70301	1.0
65.03906	1.5
67.05224	0.9
67.05495	9.0
69.03425	5.2
69.06725	0.8
69.07063	13.3
69.53328	0.8
70.51224	0.8
70.75424	1.0
70.75756	2.0
71.04989	18.3
71.85163	0.9
73.02912	5.4
75.04442	1.8
76.16510	1.0
78.04701	0.9
79.05487	8.6
81.07046	17.3
83.04967	6.7
83.08622	5.2
85.02855	0.8
85.06532	8.8
86.19351	0.8
87.04442	2.8
91.05455	7.5
93.06451	1.6
93.07032	22.4
95.04958	100.0
95.08599	16.7
96.05275	0.9
97.05899	1.3
97.06517	18.4
97.10175	4.4
99.04446	22.8
99.08083	16.5
100.11245	8.3
101.06008	2.4
103.05438	2.3
105.07011	10.5
107.04928	1.8
107.08587	22.8
109.06512	17.7
109.10140	9.3
110.06000	1.5
111.08078	4.0
111.11674	1.0
113.05969	2.7
113.09618	1.6
115.07545	3.8
119.04926	1.0
119.08558	8.4
121.06487	5.1
121.09308	1.3
121.10137	25.3
123.04391	3.6
123.08052	5.0
123.11695	16.8
125.05995	1.9
125.09607	8.8
127.07537	9.1
131.04887	2.1
131.08528	4.0
133.10112	25.6
135.08066	4.1
135.11720	5.5
137.05951	3.2
137.09578	2.1
139.07600	1.0
139.11137	6.3
140.04680	8.7
141.11453	1.2
141.13864	1.0
143.10648	4.7
145.10071	3.9
147.10715	1.0
147.11681	7.6
149.05933	3.6
149.09608	5.5
149.13234	7.8
151.07570	1.3
151.11151	10.3
152.04623	1.0
152.56248	0.7
153.09084	28.4
153.12727	0.9
155.07013	8.9
158.10815	1.1
159.04410	1.7
161.13225	1.2
163.07547	1.2
163.11156	5.8
163.14853	5.8
165.12747	4.6
166.62413	0.9
167.07031	28.8
167.10657	15.3
167.14316	1.4
169.08556	8.0
169.12274	1.6
171.10165	15.2
173.13254	11.5
177.05461	8.1
181.04951	15.3
181.12187	2.3
182.15392	1.2
183.13834	1.5
191.10605	2.5
191.14268	12.8
195.08025	0.8
199.18065	1.4
201.30678	0.9
208.95930	0.8
209.08067	7.0
209.11819	1.9
209.15321	26.7
213.17772	2.6
227.07123	1.2
227.08946	4.3
227.12704	1.6
227.16359	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	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
50.31416	1.2
50.97927	1.2
55.01859	3.7
55.05505	21.3
57.03423	4.9
57.07071	8.0
57.27510	1.3
57.39795	1.6
59.04987	1.5
61.02905	4.1
65.03928	3.3
67.05497	11.1
69.03418	19.7
69.07060	11.5
69.44570	1.5
70.67519	4.1
71.04988	10.9
73.02915	10.7
78.04707	2.3
79.05476	11.8
81.03408	8.2
81.07050	16.5
83.04967	9.6
83.08602	10.5
85.06522	16.4
91.05470	11.6
93.07037	26.1
95.04957	39.5
95.08601	16.0
97.06522	14.3
97.10130	7.3
98.06047	1.5
98.20823	1.7
99.04434	8.4
99.08099	8.0
100.10577	3.1
100.11240	66.1
103.05450	5.4
105.07018	13.4
106.04140	2.6
107.04930	7.8
107.08575	27.3
109.06510	13.1
109.10131	12.8
111.04427	1.6
111.08062	5.0
113.09655	1.5
115.03912	10.9
115.07523	3.0
119.08577	12.5
121.06495	14.6
121.10127	24.6
122.80656	1.3
123.04427	7.8
123.08034	4.7
123.11716	6.5
124.05192	2.2
125.05959	4.4
125.09621	6.2
127.07490	4.0
129.05452	4.8
131.04884	4.2
131.08524	8.1
133.10115	29.7
134.03569	2.8
135.08018	5.5
135.11671	8.1
137.05940	7.4
137.09572	3.7
137.13260	1.8
139.07524	2.1
139.11176	3.1
140.04665	11.2
143.07016	3.2
145.10088	6.1
146.72115	1.4
147.11658	9.6
148.05161	4.9
149.05974	15.2
149.09668	2.6
149.13219	13.3
151.11172	3.5
152.04688	1.6
153.05479	2.5
153.09096	15.7
155.07024	17.1
158.10893	3.4
159.04352	2.0
161.13225	6.2
163.03918	3.1
163.14801	12.2
167.07016	100.0
167.10649	6.3
168.07378	2.0
171.06500	3.3
171.10146	5.8
173.13231	26.4
177.05441	30.0
179.14281	3.3
181.04933	20.3
181.08508	2.1
182.11810	2.5
191.07030	2.2
191.10605	1.4
191.14285	24.0
194.05742	4.4
195.06494	6.7
209.08075	31.6
209.15146	40.4
227.07120	2.8
227.09099	13.8
227.16356	17.9
227.17560	12.4
228.12364	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03941	1.1
55.01855	2.5
55.05492	2.6
57.03432	6.1
57.07067	1.1
57.54854	0.8
59.04974	1.3
61.02909	2.0
65.03920	1.7
67.05499	6.4
69.03423	11.9
69.07052	6.6
71.04981	6.1
71.38264	1.9
71.78041	0.9
73.02905	7.0
75.04460	4.4
79.05482	7.6
80.73584	0.9
81.03403	1.4
81.07042	13.7
83.04971	3.2
83.08608	1.7
85.02885	1.9
85.06551	5.1
91.05463	6.6
93.07034	15.6
95.04959	100.0
95.08596	8.3
97.06522	19.4
97.10169	1.1
99.04453	13.2
99.08028	1.1
103.05462	1.4
105.07019	11.2
107.04926	2.8
107.08597	16.5
109.06504	14.1
109.10146	9.9
111.08058	3.8
115.07539	3.5
117.06988	1.6
119.08583	9.0
121.06467	2.8
121.10130	13.2
123.04414	1.8
123.08049	4.3
123.11662	3.5
127.07516	1.2
131.04901	1.4
131.08568	7.0
133.10107	29.0
135.08032	5.4
135.11668	3.5
137.05937	1.5
137.09624	2.6
139.11148	2.1
140.04652	9.3
145.10115	3.8
147.11642	4.6
149.05934	3.2
149.09561	2.4
149.13237	5.2
151.11127	3.0
152.60315	1.0
153.09100	30.5
153.12740	0.9
155.07024	10.4
158.10930	1.2
161.13243	4.6
163.14832	4.2
167.07031	18.8
167.10661	4.8
171.06538	0.9
171.10173	2.7
173.13266	19.1
173.30473	1.0
177.05487	5.0
179.14265	1.1
181.04930	17.2
187.07793	0.9
191.14284	13.2
209.08014	5.7
209.15352	23.4
209.17329	1.2
227.09076	6.2
227.16417	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	227.1638
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03943	1.5
55.01862	2.9
55.05502	41.1
57.03432	2.8
57.07077	5.9
59.04986	3.4
65.03939	1.1
67.05496	21.8
69.03415	5.1
69.07059	15.7
69.64069	8.9
71.04984	45.5
73.02906	3.3
73.06540	1.7
78.04716	1.7
78.88432	1.3
79.05481	10.5
81.07043	33.0
83.04971	60.3
83.08606	20.7
85.02885	6.9
85.06529	9.4
88.09593	1.2
91.05477	6.9
93.07037	19.3
95.04959	6.1
95.08598	21.5
97.06519	8.3
97.10156	12.4
97.27947	1.1
99.04452	3.2
99.08064	7.9
100.11239	5.2
101.06008	2.2
103.05449	1.7
105.07001	7.4
107.04961	2.4
107.08579	26.1
109.06490	6.9
109.10140	61.4
111.04432	2.1
111.08062	7.9
113.06001	5.8
113.09629	1.2
113.96349	1.1
115.07574	2.5
117.07021	2.3
117.84149	1.1
119.08557	4.2
121.06483	4.6
121.10123	10.2
123.04432	4.4
123.08079	2.1
123.11694	26.4
125.09615	21.2
126.30600	1.1
127.07545	3.2
127.11195	6.9
128.06230	1.2
131.04904	1.3
131.08493	5.4
133.10120	17.4
135.08055	3.4
135.11685	5.6
137.05940	3.5
137.09558	1.5
139.07518	1.2
139.11192	1.5
140.04655	3.2
143.08498	3.4
145.10144	1.7
147.11670	3.9
149.05936	5.5
149.09639	1.9
149.13239	11.6
151.11162	32.7
153.09090	2.7
153.12679	1.4
155.07018	4.8
157.10121	3.3
159.11678	3.7
163.11191	2.6
165.35146	1.2
167.07027	29.8
167.10759	1.6
167.14297	54.4
169.12219	100.0
171.11630	3.4
173.13187	5.9
175.14775	4.2
177.05421	9.7
177.12694	1.8
178.06017	1.6
181.04944	4.6
189.11137	3.3
191.10573	1.5
191.14288	7.4
193.15866	2.8
209.07962	2.8
209.15327	86.0
210.15714	2.2
227.07040	2.4
227.09160	4.3
227.12573	11.1
227.14500	1.0
227.16010	13.0
227.18042	4.9
228.23157	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1273
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.49483	0.5
53.03951	1.9
54.68903	0.4
55.01859	6.0
55.02097	0.4
55.05500	9.3
55.05744	0.7
57.03423	2.3
57.07058	2.8
60.70955	0.5
65.03941	1.4
67.05494	12.1
69.03413	2.5
69.07058	9.9
70.06584	0.5
70.91244	0.9
70.91609	0.8
71.04984	4.5
71.08633	0.7
73.02911	4.5
77.03919	0.8
78.04697	2.6
79.05479	14.4
81.03426	2.0
81.07043	16.1
82.26846	0.4
83.04986	2.9
83.08605	7.2
85.02899	0.8
85.06525	3.9
89.03912	1.7
91.05463	9.8
93.03412	0.7
93.07026	26.2
95.04958	7.6
95.08591	25.7
97.02870	2.5
97.06505	4.4
97.10152	2.4
99.04432	3.9
99.08086	1.8
100.11230	4.7
103.05438	6.3
105.03380	0.8
105.07001	4.5
106.04168	1.7
107.04939	9.2
107.08573	17.1
107.09277	1.0
108.01986	0.5
109.06491	3.3
109.10135	8.5
111.04418	1.5
111.08071	1.6
111.76062	0.5
113.05999	0.9
113.09637	1.1
113.84933	0.4
117.03379	1.2
117.06992	4.5
119.04917	1.2
119.08557	6.5
121.02901	0.5
121.06484	16.2
121.10111	10.3
122.03619	1.0
123.04409	7.3
123.08056	2.1
123.11710	1.4
124.05191	1.9
125.05949	1.9
125.09582	2.2
127.07575	0.6
127.11137	2.9
128.06201	0.8
129.07094	0.6
130.07777	1.0
131.04913	5.2
131.08498	1.1
131.46609	0.5
133.02840	1.1
133.10115	3.3
134.03590	1.8
135.04390	1.6
135.08041	2.1
135.11662	26.8
137.05949	10.7
139.07520	1.6
139.11176	0.6
140.04649	5.3
143.08545	1.5
145.02843	1.1
145.10101	14.6
147.04326	0.9
147.11691	1.1
148.05136	2.3
149.05954	13.1
149.09598	0.8
149.13232	1.4
151.03882	1.7
151.07556	0.7
151.11156	2.2
152.04657	1.8
153.05467	0.6
153.06958	1.1
153.09096	0.9
153.12718	0.9
155.06999	7.3
157.10103	2.0
159.04372	4.1
162.03062	0.5
163.03853	1.0
163.11151	37.1
165.05508	1.3
167.07011	100.0
167.10666	1.6
168.07379	2.3
169.04858	0.5
169.08644	3.5
169.12137	0.9
171.06592	0.5
171.11620	1.2
173.08092	0.9
173.09560	1.1
173.13214	1.3
176.04633	0.7
177.05437	29.6
178.06078	0.5
180.07843	0.6
181.04926	9.7
181.08543	1.5
181.12189	10.4
183.06514	0.9
185.09581	0.5
185.13271	1.1
191.06990	2.1
191.10651	1.5
191.14247	2.1
191.17888	1.1
194.05702	1.0
195.06456	0.8
209.08044	13.4
209.11592	1.5
209.15108	4.1
209.18903	1.1
212.16273	0.5
227.06908	2.5
227.09050	4.6
227.12709	55.3
227.18076	4.7
227.20036	1.1
228.13103	1.3
228.17479	0.6
240.83780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0909
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03923	1.1
55.01864	2.6
55.05501	2.8
57.03411	0.8
57.07052	1.1
59.04959	0.4
61.00721	0.3
65.03924	1.3
67.05492	2.7
67.40070	0.4
69.03428	1.8
69.07051	2.7
69.90102	1.7
69.90523	0.7
71.04977	3.0
73.02908	6.8
74.66604	0.4
77.03935	0.5
78.04694	2.6
79.05492	3.4
81.03416	0.7
81.07043	4.8
82.04192	0.4
83.04971	1.8
83.08611	1.6
85.02856	0.9
85.06523	3.2
89.03896	1.2
91.05464	7.0
93.03360	0.5
93.07029	7.8
95.04948	6.1
95.08598	4.8
96.95096	0.4
97.06512	2.9
97.10160	0.5
98.21468	0.7
99.04438	6.3
99.08054	1.8
100.11245	4.4
101.06001	0.4
103.05444	6.0
105.03355	0.8
105.07021	4.4
106.04141	1.7
107.04946	3.5
107.08566	4.7
109.06522	2.0
109.10133	3.1
110.03643	0.7
111.04434	0.9
111.08046	1.1
113.09676	0.5
117.03326	1.3
119.04921	1.6
119.08560	2.7
121.05643	0.8
121.06483	12.3
121.10128	5.7
122.03612	1.2
123.04417	7.0
123.08028	1.2
123.11687	1.5
124.05181	2.6
125.05972	0.8
125.09643	2.0
127.03886	0.6
127.07536	0.5
131.04898	5.3
131.08521	1.6
133.02824	1.3
133.10114	5.9
134.03598	1.5
135.04366	1.2
135.08015	1.5
135.11664	1.8
137.05959	8.5
137.09572	0.8
139.07497	0.5
139.11130	1.2
140.04662	9.3
145.02809	0.9
145.10086	1.6
147.04387	1.5
147.11647	1.0
148.05148	2.5
149.05959	14.9
149.09541	2.0
149.13222	1.7
151.03879	1.3
151.07538	0.6
151.11163	1.8
152.04622	1.8
153.05435	0.8
153.07037	0.5
153.09081	0.8
155.07021	13.2
159.04391	3.6
161.13208	2.8
163.03838	0.9
163.07480	0.6
163.11180	2.4
163.14827	1.0
165.05450	1.0
165.12715	0.7
166.06219	0.8
167.07011	100.0
168.07434	2.4
169.08635	2.5
169.12193	1.1
171.06497	0.8
171.10216	0.7
171.11638	0.5
173.08038	1.1
173.13225	3.4
176.04622	0.8
177.05443	29.8
178.06035	0.6
179.06956	1.1
179.14211	0.6
180.07800	0.4
181.04927	15.5
181.08563	2.0
181.09975	0.6
181.12210	1.0
183.06503	1.1
183.13786	1.1
191.07027	1.5
191.10631	1.3
191.14270	3.2
194.05722	1.1
195.06462	1.3
195.07996	0.4
197.08043	0.6
209.08058	15.5
209.11584	1.0
209.15230	6.4
227.07024	1.1
227.08952	7.3
227.16403	3.0
227.17944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0909
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03931	1.2
55.01865	4.4
55.05500	0.7
57.03417	0.4
59.60499	0.5
65.03934	5.7
67.05201	0.4
67.05498	2.8
69.03407	0.8
69.07060	0.7
69.62376	2.0
69.62799	1.9
71.04990	0.5
73.02907	39.4
76.50896	0.5
79.05476	1.1
81.07060	1.1
82.04193	2.1
83.08608	0.5
85.02885	4.2
91.05476	2.2
93.03397	1.7
93.07034	1.8
95.04959	5.5
97.02844	0.7
97.06529	2.1
100.11250	1.3
103.05435	0.8
105.04491	0.7
107.04914	0.6
107.08576	0.9
108.02031	1.1
109.06504	0.6
109.10168	0.5
110.03658	3.8
110.15228	0.5
111.04434	1.9
121.06490	1.6
121.10116	0.9
123.04411	9.3
125.02321	1.5
125.05974	1.9
133.10120	0.8
137.05954	0.7
138.03105	1.6
140.04663	50.1
142.02557	2.8
149.05902	0.8
153.05406	3.0
155.07008	66.1
156.07385	0.8
166.06209	0.6
167.07030	4.1
171.06499	6.4
173.08057	4.5
173.13216	0.5
176.19382	0.5
177.05409	0.9
179.06981	2.9
181.04930	100.0
181.08260	3.3
182.05269	1.7
209.08052	20.8
209.15312	1.1
227.09099	25.4
228.09436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0909
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03942	1.0
55.01863	6.2
57.03420	0.5
65.03931	4.6
67.05499	2.7
69.03426	1.3
69.63438	0.9
69.63850	2.5
71.04977	0.7
73.02908	41.7
79.05477	0.9
81.07062	0.7
82.00523	0.5
82.04186	1.8
85.02882	3.7
91.05470	1.8
93.03411	1.1
93.07034	1.9
95.04948	7.3
95.08608	0.7
97.06509	2.6
99.04433	0.8
103.05420	0.7
108.02081	1.1
109.06477	0.8
110.03669	2.5
111.04422	0.9
121.06496	1.5
123.04402	8.7
123.11667	0.9
125.02320	1.2
125.05985	1.8
131.04901	0.8
138.03120	1.5
139.03972	0.5
140.04665	47.3
142.02605	1.6
149.05954	0.8
153.05426	2.3
153.09052	0.9
155.07008	59.7
156.07356	1.1
157.75780	0.4
166.06145	0.7
167.07051	4.1
167.10614	0.7
171.06483	5.3
173.08044	4.2
173.13174	0.9
176.57524	0.6
177.05490	0.9
179.06975	3.1
181.04930	100.0
181.08327	3.9
182.05286	1.5
195.06555	0.8
209.08061	22.4
209.15269	1.1
227.09105	26.2
227.16205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.091
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.55681	0.5
53.03931	1.4
55.01851	1.4
55.02921	0.4
55.05495	1.9
57.07036	0.4
65.03929	1.2
67.05494	1.4
67.18138	0.4
69.03416	1.3
69.07053	0.8
71.04958	0.8
71.53468	0.6
73.02913	4.4
77.03897	0.6
78.04704	2.9
79.05492	2.6
81.03418	0.9
81.07031	1.4
83.04985	0.4
83.08609	0.7
85.06571	0.4
85.58549	0.5
89.03898	0.7
91.05466	7.2
93.07033	5.4
94.04148	0.5
95.04950	6.0
95.08582	1.2
97.06510	1.3
97.10153	0.5
99.04449	0.6
100.11250	5.6
103.05454	6.2
104.05840	0.4
105.03391	0.6
105.04571	0.5
106.04174	2.4
107.04937	3.3
107.08561	1.8
107.38253	0.4
109.06493	1.8
111.04384	0.7
115.07561	0.4
117.03355	1.1
119.04934	1.7
121.06488	12.1
121.10121	1.5
122.03611	1.3
123.04405	7.2
123.11705	0.5
124.05241	2.2
125.02335	0.5
127.07549	0.8
128.98613	0.5
131.04912	5.5
131.08548	0.6
133.02861	1.2
133.10110	1.1
134.03642	2.4
135.04402	1.3
137.05960	8.5
139.07565	0.6
139.11189	0.5
140.04672	8.1
145.02859	0.6
147.04385	1.0
148.05170	1.4
149.02345	0.5
149.05963	13.0
151.03891	1.2
152.04643	1.9
153.09105	1.1
155.07018	11.3
159.04382	3.8
163.03926	0.8
163.07507	0.7
163.14818	0.6
165.05452	1.3
167.07018	100.0
168.07394	2.0
173.08069	0.6
173.13226	0.7
176.04663	1.1
177.05446	29.9
178.05849	1.0
179.07088	0.7
180.07776	0.9
181.04953	11.5
181.08575	1.6
183.13853	0.7
191.07056	1.5
191.14301	0.9
194.05814	1.1
195.06529	0.8
209.08060	13.2
209.15286	1.4
210.08386	0.6
227.09146	6.3
227.16212	1.3
227.17633	1.2
240.79153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01865	6.3
55.05484	1.6
60.02448	0.5
65.03925	3.9
67.05483	2.8
69.03397	1.7
69.07036	1.1
69.90366	2.6
71.75736	0.5
73.02909	40.0
77.43279	0.4
79.05488	1.0
81.03400	1.0
81.07030	1.7
82.04172	1.9
83.08603	0.6
85.02908	3.6
91.03925	0.8
91.05460	1.6
93.03379	1.3
93.07010	3.0
95.04948	6.3
95.08588	0.8
97.02899	0.8
97.06485	1.6
99.04429	0.6
100.11246	3.9
103.05427	0.9
105.03399	0.5
105.06976	0.8
107.04954	1.3
107.08562	1.9
108.02080	0.9
109.06463	1.4
109.10120	1.0
110.03630	2.4
111.04410	1.4
119.08546	0.7
121.06490	2.0
121.10143	1.1
123.04411	8.2
123.08045	0.5
125.02326	2.1
125.05952	2.0
125.09660	0.5
133.10138	1.0
137.05888	1.1
138.03125	2.3
139.03920	0.6
140.04666	48.6
142.02603	2.0
149.05957	0.9
149.09554	0.5
149.13295	0.5
153.05411	2.7
153.09058	0.7
155.07011	62.1
156.07370	1.0
158.29262	0.5
159.04478	0.5
166.06233	0.8
167.07050	5.5
171.06543	5.0
173.08076	5.9
173.13264	1.1
177.05315	1.2
179.07025	2.8
181.04935	100.0
182.05247	1.5
191.14314	1.0
209.08069	20.1
209.15338	1.3
227.09117	24.8
227.17772	0.6
228.09396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1845
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
53.03933	1.1
55.01872	0.6
55.05499	4.7
57.07065	2.2
65.03920	0.7
65.55077	0.6
66.27689	0.6
67.05494	6.6
69.03411	1.8
69.07069	6.1
70.41846	1.5
70.42245	1.6
71.04984	36.3
71.08619	1.6
79.05486	5.8
81.07043	14.3
83.04960	2.5
83.08601	3.7
85.02898	7.7
85.06509	1.9
91.05453	4.8
93.07033	35.1
95.04958	2.4
95.08592	12.8
96.99535	0.7
97.06525	2.1
97.10165	1.8
99.04430	3.5
99.08076	3.0
101.95013	4.3
105.03374	3.2
105.06371	1.1
105.07019	12.3
107.04908	1.6
107.08575	11.4
109.06496	4.2
109.09449	1.3
109.10145	18.6
111.04440	0.8
111.08054	2.0
113.96331	1.0
117.09554	0.7
119.07784	0.9
119.08577	11.8
119.96042	2.2
121.10127	100.0
122.10484	2.0
123.08059	6.8
123.11704	8.5
125.06023	1.5
125.09621	3.0
127.11176	3.9
131.08566	1.3
131.97409	1.4
133.10121	8.5
135.11664	13.1
137.05952	1.0
137.09599	3.1
137.13203	1.1
137.97101	2.2
139.11177	1.3
141.06978	0.8
147.11658	10.7
149.09602	2.2
149.13275	4.0
151.07541	1.1
151.11137	3.5
155.08578	1.2
155.98128	1.7
160.98679	2.8
161.13246	2.8
163.14842	1.1
165.12708	1.5
167.10687	1.2
169.10167	1.4
178.99760	1.5
179.14395	1.1
183.11633	1.3
183.13815	0.7
184.00331	1.0
189.12700	2.4
189.16362	25.1
197.13255	0.7
202.01375	1.3
207.02806	1.0
207.13818	4.1
207.17415	46.0
208.17810	1.8
225.03946	1.1
225.09068	2.0
225.12726	1.2
225.14537	5.1
225.16464	2.0
225.18179	7.3
226.09669	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03926	3.0
55.01868	4.9
55.05497	12.7
59.04999	28.4
61.61823	2.3
67.05499	25.3
67.33062	2.6
69.03419	13.9
69.07049	11.6
70.76977	5.0
70.77354	5.7
71.04974	2.4
79.05481	21.1
80.53088	2.8
81.03429	3.4
81.07039	25.2
83.04976	9.4
83.08631	3.8
83.61142	2.6
89.26363	2.4
91.05473	27.7
93.07034	34.6
95.04948	12.1
95.08586	27.2
97.06497	6.4
102.25599	3.1
103.05417	4.8
105.07018	60.5
107.04967	5.9
107.08580	85.0
107.09287	5.6
109.06506	32.3
109.10152	25.7
111.08089	3.9
117.06985	5.6
119.08569	57.1
121.06486	13.9
121.10110	17.6
123.08058	97.2
123.11642	5.1
125.05993	4.5
125.09607	4.8
129.06990	3.0
131.08522	7.5
133.06458	8.2
133.10112	20.2
135.08040	33.9
135.11671	48.7
137.09601	100.0
140.03255	3.0
143.08578	5.6
145.10103	3.8
147.08099	4.9
147.11673	34.8
149.09572	13.6
151.07576	10.6
151.11259	3.1
153.09085	19.7
156.09325	3.4
159.09583	2.8
161.09601	4.6
161.13229	39.3
165.09106	2.9
171.11697	6.3
177.12723	4.3
189.12729	13.1
207.13840	9.5
221.92433	2.7
225.14801	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	225.1844
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
51.09008	0.8
53.00312	1.1
55.01858	1.5
55.05503	2.0
56.21573	0.8
57.03399	0.9
57.07057	2.8
59.04993	0.7
59.63469	0.7
67.05507	5.9
69.07050	3.6
69.62185	6.6
69.79158	0.9
71.04981	39.5
79.05487	6.2
81.07043	10.7
83.04969	2.0
83.08597	2.3
85.02887	4.1
85.06557	1.3
88.69537	0.9
91.04968	0.9
91.05445	4.3
93.07030	33.8
95.04948	2.3
95.08589	11.1
97.06501	1.6
98.21488	1.2
99.04436	3.2
99.08088	2.9
101.95023	5.0
105.03365	2.6
105.07001	13.1
107.04945	1.1
107.08569	10.7
109.06500	3.4
109.10132	16.8
111.04358	0.8
111.08057	1.4
111.11700	0.9
119.08565	10.5
119.96070	1.7
121.10120	100.0
122.10463	2.0
123.08035	5.8
123.11657	5.1
125.09589	2.7
127.11221	4.4
133.10097	7.8
135.08072	1.2
135.11656	11.1
137.09575	2.8
137.97075	1.1
147.11656	10.2
148.39362	0.8
149.09579	2.2
149.13225	2.5
151.07579	1.0
151.11140	3.9
160.98732	2.1
161.13203	2.2
161.28317	0.8
163.11137	0.9
163.14798	1.1
165.12735	2.2
167.10724	2.3
169.10059	0.9
175.20050	0.7
178.99684	2.1
183.13777	1.0
183.90585	0.7
184.00208	1.0
189.12689	1.5
189.16354	21.6
202.01366	0.9
207.13965	4.3
207.17407	47.6
208.17796	1.3
225.12767	1.3
225.14725	6.5
225.18285	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	225.1481
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03934	4.6
55.01844	7.2
55.05486	14.7
56.73634	3.7
57.03430	8.9
57.07059	7.2
59.04972	13.8
64.66952	4.1
65.03922	6.0
67.05489	32.2
69.03419	50.0
69.07056	32.1
69.84626	23.1
71.04971	18.4
79.05479	33.6
81.07043	77.8
83.04967	42.6
83.08606	12.0
85.02902	20.3
85.06530	9.3
87.04443	17.4
91.05470	27.7
93.07032	35.5
95.04938	16.4
95.08588	70.0
97.06520	32.7
97.10136	7.9
99.04436	62.8
99.08067	14.9
101.05990	14.1
105.07026	45.3
107.04941	16.2
107.08577	100.0
109.06490	38.2
109.10130	40.4
111.04407	10.9
111.08041	10.6
113.09642	4.0
117.06995	4.4
119.08551	35.7
121.06477	15.7
121.10127	61.5
122.07257	9.0
123.08050	57.9
123.11694	26.5
125.05976	10.1
125.09613	10.0
127.07492	10.5
127.11165	4.9
129.06998	5.0
133.06476	8.1
133.10091	13.8
135.07927	6.0
135.11665	20.2
137.05966	6.9
137.08621	3.4
137.09590	77.0
137.13216	15.6
139.11172	55.6
141.09059	10.8
145.10095	26.4
147.04424	5.8
147.08057	9.1
147.11684	24.7
149.09595	57.0
151.03876	29.0
151.07503	14.9
151.08725	4.6
151.10091	6.3
151.11169	63.5
156.09361	5.3
159.54010	4.5
160.56015	3.6
161.09592	6.4
161.13237	24.0
163.03874	4.5
163.11139	41.0
165.05502	5.0
165.09137	8.5
165.12723	17.0
167.06937	6.5
167.10695	12.1
169.08481	5.3
171.11713	9.9
179.14302	8.9
180.04115	10.9
181.12175	19.0
183.13773	9.6
189.12717	32.3
193.04848	6.8
195.06496	5.4
207.06390	8.1
207.13780	63.3
225.07504	16.9
225.14771	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03926	3.9
55.05492	11.3
59.04984	20.5
65.03931	3.1
67.04535	2.3
67.05501	19.5
69.03416	13.3
69.07071	9.8
69.46908	18.9
69.47314	5.3
79.05488	14.4
81.03427	2.8
81.07027	23.6
83.04970	13.4
85.02898	4.9
91.05463	16.6
93.06653	2.3
93.07040	23.1
95.04965	16.3
95.08593	25.2
97.06501	4.6
105.07013	56.2
106.31346	2.7
107.04984	7.1
107.08581	79.9
109.06499	42.2
109.10136	22.9
111.08076	2.9
119.08562	55.4
119.09354	5.3
121.06509	14.8
121.10159	17.1
122.07207	3.1
123.08051	100.0
123.11677	4.3
123.85473	2.6
125.09586	4.1
133.06454	9.8
133.10130	16.0
135.08034	25.0
135.11687	41.6
137.09601	80.6
141.09067	9.9
143.08530	5.1
147.08028	12.0
147.11658	30.3
149.09563	14.0
151.07555	8.4
153.09076	21.2
156.09296	6.9
159.11682	4.6
161.13245	39.1
163.11150	5.2
165.12698	3.1
171.11711	7.1
175.03926	3.5
177.12762	6.1
179.14291	4.5
180.56328	2.8
181.12280	3.4
189.12733	24.8
206.33383	2.9
207.13771	29.1
211.66924	3.1
225.14861	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	225.1481
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
54.61010	0.5
55.05498	1.5
57.07065	1.5
58.38809	0.5
67.05492	3.9
69.03419	1.8
69.07054	0.8
69.63744	4.3
69.64069	0.6
71.04951	0.8
77.03925	0.6
79.05489	2.5
81.07043	18.1
83.04975	0.9
85.02891	100.0
86.43433	0.6
91.05482	1.7
93.07034	3.5
95.08582	6.2
98.21484	0.8
99.04430	0.7
105.07016	3.6
107.08581	4.8
109.06511	1.3
109.09449	0.8
109.10137	9.7
111.04389	1.1
111.07957	0.6
119.08558	3.7
121.06505	0.9
121.10127	7.2
123.08048	2.2
123.11685	75.1
124.12054	0.5
125.05961	6.1
126.78545	0.5
131.08548	1.3
133.10083	0.7
135.11674	0.8
137.09561	1.1
141.05508	1.1
141.40134	0.5
145.10063	1.7
147.08028	2.3
147.11687	3.9
149.09599	8.6
151.07535	3.0
156.09354	1.2
161.13220	1.2
165.09071	1.1
165.12733	0.9
167.10628	1.0
169.08702	0.9
179.14272	0.6
189.12679	4.0
207.13766	19.9
225.14809	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	225.148
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03940	1.3
55.05495	2.8
57.07058	2.8
58.67899	1.1
59.04993	6.4
62.39834	1.1
67.05492	20.9
69.03409	2.6
69.07076	2.7
69.40516	2.8
69.40922	8.8
71.04991	1.2
79.05473	1.7
81.07030	7.6
83.04947	4.0
85.02888	17.0
85.03375	2.0
85.06527	8.6
91.05469	2.9
91.10062	1.1
93.07035	7.4
95.04958	3.1
95.08589	100.0
97.06518	2.5
97.10162	4.0
99.04408	1.7
101.06005	1.2
105.07033	4.9
107.08585	8.3
109.06490	4.2
109.10141	3.5
109.24488	1.2
111.04411	1.3
113.05977	8.6
119.08572	12.0
121.06541	1.6
121.10131	7.1
123.08049	39.0
123.11699	15.0
125.05994	2.1
125.09622	1.2
126.08578	1.2
131.08585	1.4
133.10089	2.4
135.11688	11.7
137.09604	3.6
141.09100	7.2
145.10141	1.4
147.08040	1.2
147.11671	4.3
149.07068	1.4
149.09583	19.2
151.07556	2.5
151.14844	3.0
161.13200	7.2
163.11200	3.2
165.09164	1.5
165.12759	5.1
169.08658	1.2
174.10326	1.9
179.14276	3.5
189.12700	8.5
193.04921	1.8
207.13760	16.4
225.06586	3.6
225.14816	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01855	2.9
55.05496	10.7
57.03412	4.3
57.07068	3.9
59.04992	3.0
67.05495	11.3
69.03421	18.8
69.07050	5.1
71.04955	3.3
71.07851	4.0
73.02901	2.0
79.05479	10.3
81.03404	3.8
81.07043	23.5
83.04961	29.0
83.08619	2.6
85.02901	13.3
91.05469	8.9
93.07040	17.9
95.04968	5.2
95.08594	40.3
97.06487	8.3
99.04443	4.2
105.07032	29.5
107.04929	3.1
107.08585	32.3
109.02853	1.8
109.06503	75.9
109.10123	5.7
111.08059	3.3
119.08557	24.1
121.06467	5.8
121.10130	19.8
122.10917	3.1
123.08047	100.0
123.11674	5.2
125.09602	3.3
131.08575	3.1
133.06477	3.6
133.10121	15.5
135.11681	39.1
137.09602	4.3
137.13252	3.5
139.07527	4.3
141.09077	33.1
145.10110	2.4
147.07924	8.2
147.11658	22.8
149.09583	9.3
151.07529	12.4
153.09129	2.4
156.09370	2.8
156.62148	1.7
159.11641	2.6
161.13242	28.5
163.11180	3.5
165.12732	5.8
167.10675	6.4
169.08580	4.3
171.11691	4.5
177.12711	8.9
179.14313	5.8
186.89528	1.6
186.91237	1.6
189.12698	19.1
193.04932	2.3
195.13747	4.3
207.13777	78.2
225.07501	3.6
225.14830	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	223.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	52.1
57.07066	48.7
58.45974	4.3
68.05038	5.3
69.07059	100.0
71.08611	16.1
71.63012	6.5
75.78170	4.1
81.07046	11.3
83.04961	5.2
83.08607	65.1
85.10176	9.5
91.05453	4.4
93.07015	10.1
93.48836	4.4
95.08593	8.6
97.06512	5.1
97.10154	52.5
98.21035	5.2
105.07073	4.3
107.08565	5.9
109.06498	6.0
109.10163	8.3
110.07165	5.9
111.08063	5.5
111.11716	27.8
119.08576	8.1
121.06481	4.7
121.10124	4.9
122.07136	7.9
122.14215	4.5
125.13246	7.8
138.10258	5.5
145.10143	5.1
149.02321	29.5
149.70264	4.9
157.31564	4.7
163.09813	6.9
163.11121	6.4
167.06990	5.1
176.89313	4.5
177.12753	5.7
205.12248	11.3
217.60689	5.6
223.05952	20.7
223.13231	10.0
223.16942	13.2
224.06763	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	223.1325
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03942	1.7
53.58211	0.8
55.01857	2.8
55.05507	8.0
57.03432	1.0
57.07080	0.9
59.04996	1.1
64.38973	0.8
64.95934	0.8
66.09461	0.7
67.05495	3.3
69.03418	15.4
69.07040	4.5
70.93100	1.6
70.93444	1.1
71.04989	1.7
73.02910	0.9
79.05492	3.1
81.07046	3.6
83.04968	11.3
83.08602	10.3
85.02908	1.1
91.05457	8.4
93.07037	19.2
95.04968	7.0
95.08591	3.7
97.02875	1.2
97.06531	2.1
97.10166	1.1
103.05421	1.0
105.07006	8.0
107.04964	2.8
107.08578	21.2
109.06492	2.3
109.10095	1.9
111.08065	1.8
117.06963	6.1
119.08569	9.1
121.06486	36.7
121.10117	7.7
123.08071	5.4
124.39957	0.9
129.06989	3.1
131.08569	8.3
133.10103	11.2
135.04395	3.6
135.08043	12.4
135.11668	9.2
137.09589	4.3
143.08527	2.2
144.09306	6.7
145.06488	2.4
145.10101	4.5
146.07307	1.0
147.08026	3.4
149.02301	1.5
149.05975	7.9
149.09599	1.9
149.13219	4.2
157.06508	1.1
157.10162	1.2
158.07251	1.1
159.07990	1.7
159.11668	23.5
161.09622	7.3
162.10425	3.2
163.07581	1.5
163.11165	5.7
167.07027	1.5
172.08853	3.4
176.08354	2.8
177.05460	1.0
177.12726	100.0
178.13127	2.3
179.10661	12.8
187.11150	6.2
205.12213	85.2
206.12576	1.8
212.02138	0.9
223.06046	2.1
223.09712	1.4
223.13268	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	223.1325
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
50.60980	0.8
53.03930	1.7
54.95215	1.0
55.01862	2.3
55.05502	6.7
57.03412	1.7
59.04976	1.1
67.05479	2.6
69.03420	14.3
69.07052	4.9
69.84270	4.6
71.04966	3.9
79.05466	4.1
81.03399	1.1
81.07034	3.3
83.04964	13.7
83.08611	8.5
85.02888	1.7
91.05466	7.2
93.06472	1.3
93.07031	25.0
95.04979	5.5
95.08581	3.8
97.02899	1.0
97.06480	2.0
99.04420	2.0
103.05497	1.6
105.07008	9.8
107.04915	2.7
107.08576	17.0
109.06485	4.2
109.10139	2.8
115.28197	0.8
117.06972	3.6
119.08575	11.0
121.06485	29.8
121.10116	7.3
123.08038	8.4
123.47000	0.9
125.05936	1.4
125.09581	1.2
128.06166	1.2
129.06935	1.4
130.07744	1.0
131.08531	5.1
133.06332	0.9
133.10088	7.2
135.04385	2.9
135.08037	12.6
135.11668	11.1
137.09613	5.5
143.08504	1.6
144.09312	4.6
145.06445	1.8
145.10100	9.3
147.08000	8.8
149.02246	1.7
149.05960	21.0
149.09608	3.5
149.13246	4.3
151.11119	1.7
159.08087	1.4
159.11667	21.2
161.05975	1.1
161.09589	6.7
162.10394	5.1
163.07591	2.2
163.11153	32.1
165.09108	2.7
167.07027	1.2
169.10036	1.3
172.08829	3.4
175.11011	1.3
176.08304	1.3
177.05519	1.7
177.09192	2.5
177.12720	95.3
179.10654	12.6
187.11179	5.0
205.12206	100.0
206.12570	2.6
223.05963	3.7
223.09668	1.9
223.13249	28.5
223.16731	1.7
224.13522	1.3
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	Aristelegone D
Peak:m/z	Relative Intensity
53.03925	1.1
55.01857	1.9
55.05502	7.1
57.03431	2.0
59.04981	3.3
67.05499	6.4
68.44160	1.1
69.03427	10.5
69.07042	3.6
69.72890	8.3
71.04955	1.9
76.45167	1.0
79.05464	4.9
81.03418	3.3
81.07053	6.0
83.04971	13.8
85.02904	7.8
85.06544	6.1
91.05470	13.0
92.36272	1.2
93.07030	27.1
95.04951	13.3
95.08613	6.3
95.33534	1.1
97.06516	2.8
97.10143	3.5
98.20789	1.5
105.07027	14.9
107.08580	14.7
109.05775	2.3
109.06506	46.3
109.10140	4.2
111.04412	1.3
111.08070	8.0
113.05991	15.6
115.05427	1.6
117.06977	4.6
119.08569	16.8
121.06504	36.7
121.10128	13.7
121.33566	1.2
123.04404	3.1
123.08063	9.8
123.11684	1.4
125.09627	1.5
128.93494	1.3
129.06938	2.1
130.07758	1.4
131.08522	4.8
133.10130	13.0
135.08037	23.8
135.11646	6.2
137.06009	1.3
137.09601	14.5
139.07503	4.3
143.08560	3.1
144.09308	2.7
145.10104	10.1
146.07236	2.8
147.08012	4.8
149.06009	3.0
149.09602	100.0
150.09924	2.0
151.11177	7.6
153.09058	3.5
159.08083	1.1
159.11665	14.7
161.09598	25.7
163.07518	1.8
163.11166	15.0
165.09114	9.6
167.07024	4.7
170.54552	1.1
172.08818	4.6
175.11182	2.3
177.12738	18.5
179.10641	22.7
181.12137	1.3
185.25433	1.2
187.11168	14.6
205.12207	40.6
220.01659	1.2
223.13260	37.7
223.15433	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1325
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
51.83125	1.0
53.03939	1.6
55.01852	4.6
55.05506	17.8
57.03413	4.8
59.04973	3.3
60.46779	1.0
61.02908	1.2
65.03924	1.8
67.05499	8.5
69.03425	8.9
69.07070	9.2
69.78635	1.3
70.97031	3.1
71.04979	3.3
79.05487	7.0
81.03413	6.7
81.07043	8.9
83.01363	2.8
83.04977	16.8
83.08599	1.8
85.02890	30.0
85.06529	4.4
89.05998	1.3
91.05471	13.5
93.07030	29.5
95.04959	14.2
95.08595	12.1
97.06499	2.7
97.10173	12.7
99.04422	1.8
101.06001	1.4
105.07008	13.5
107.04929	3.0
107.08577	15.5
109.06511	21.4
109.10157	5.7
111.04448	1.2
111.08061	12.2
113.05988	6.7
117.07000	5.8
119.08578	15.4
121.06490	52.8
121.10117	13.3
123.04463	1.7
123.08048	16.6
124.85326	1.6
125.09614	4.1
129.06895	2.4
131.08549	5.0
133.10112	15.3
135.04402	1.3
135.08037	20.1
135.11682	13.1
137.05978	3.7
137.09579	13.9
139.07503	8.1
139.11104	1.3
143.08569	1.7
144.09312	3.3
145.06387	1.5
145.10085	11.6
146.07291	1.4
147.08040	4.0
147.18201	1.1
149.05948	5.2
149.09610	42.9
149.13248	5.0
151.07487	2.0
151.11148	2.9
153.09102	6.8
159.11665	18.7
161.09601	10.0
162.03052	2.6
163.03938	1.6
163.07579	1.8
163.11176	16.8
165.09097	17.8
167.07007	4.9
172.08789	3.2
175.11209	3.6
177.12727	23.8
179.10623	12.9
181.12224	2.3
187.11179	8.5
190.02682	2.6
193.12225	1.8
195.13774	5.3
205.12210	41.1
208.03625	1.4
223.06046	8.9
223.13268	100.0
224.13557	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1325
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
52.86323	0.9
53.03930	1.6
55.01865	4.9
55.05495	8.9
57.03417	1.9
57.07053	1.5
59.04985	3.0
61.02901	1.6
65.03954	1.0
67.05500	7.2
67.15565	0.9
69.03418	12.2
69.03767	1.7
69.07074	4.8
69.72551	0.8
69.72869	6.6
71.04971	4.1
78.76714	0.9
79.05483	9.4
81.03386	4.0
81.07043	9.4
83.01310	1.0
83.04973	17.3
83.49369	1.1
85.02896	6.0
85.06539	5.1
91.05468	14.7
93.07034	38.6
95.04956	15.5
95.08081	1.1
95.08595	8.5
97.06505	3.2
97.10133	3.7
98.20818	1.3
103.05431	2.6
105.06372	1.7
105.07018	23.0
107.04918	3.0
107.08582	18.4
109.02737	1.1
109.06506	45.0
109.10155	6.2
111.04392	1.4
111.08041	7.8
113.06000	11.3
115.05431	1.6
117.07006	6.3
119.07799	1.0
119.08561	20.9
121.06491	37.4
121.08405	2.0
121.10110	15.5
122.07249	2.7
123.04413	3.8
123.08041	11.4
123.11669	1.6
125.09642	1.8
128.06198	1.0
129.06960	3.0
130.06497	3.6
130.07784	2.2
131.06863	14.3
131.08505	8.0
132.04399	0.9
133.04776	1.6
133.06413	1.2
133.10114	16.7
135.04390	1.1
135.08040	28.5
135.11674	7.4
137.05954	1.3
137.09596	17.4
139.07520	5.1
143.08557	3.7
144.09308	4.4
145.06500	1.7
145.10101	13.7
146.07237	3.2
147.08032	7.7
149.02251	1.1
149.05983	2.6
149.09602	100.0
149.13251	2.7
150.09944	2.2
151.11131	6.8
153.09077	3.8
159.06386	4.4
159.08038	1.6
159.11662	15.6
161.09605	22.5
163.07535	2.4
163.11157	21.0
165.09085	15.5
167.07028	5.0
169.10117	1.1
172.08769	4.3
175.11145	2.8
176.07051	1.2
177.05321	1.0
177.07426	14.0
177.08926	1.7
177.12726	22.5
178.34723	0.9
179.09090	1.1
179.10649	22.3
187.11154	12.5
189.77663	1.0
190.02644	1.3
190.09749	1.7
193.12291	1.0
202.83856	0.9
205.12218	33.0
206.12575	1.1
206.37134	0.9
223.05963	3.9
223.07951	1.6
223.13255	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	223.1325
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03932	3.2
53.41810	1.2
55.01845	5.3
55.05487	3.5
55.91421	1.3
57.03420	2.7
57.07056	2.6
59.04984	6.1
60.41790	1.2
67.05493	12.4
68.02619	1.2
69.03417	11.2
69.07056	7.1
70.07466	6.0
71.04979	2.6
79.05479	9.0
81.03370	2.9
81.07046	10.8
83.04969	21.7
83.08607	1.6
85.02853	1.2
85.06506	5.5
87.04449	1.7
89.06034	1.4
91.05466	29.1
93.07028	83.1
94.00188	1.2
94.63609	1.1
95.04958	22.5
95.08601	10.3
97.02864	2.4
97.06527	6.9
98.20761	1.6
101.05984	2.3
103.05435	3.0
105.07011	19.3
107.04951	4.9
107.08569	19.1
109.06494	25.6
109.10163	5.9
111.04420	1.6
111.08096	6.6
113.05994	8.7
117.07005	8.4
119.08555	16.9
121.06483	100.0
121.10121	18.5
123.04376	2.0
123.08065	6.3
125.09577	4.0
127.07559	6.8
128.06056	2.4
129.06976	4.0
130.06474	2.0
131.04890	2.5
131.06859	12.6
131.08521	12.0
133.10112	13.0
135.08041	21.4
135.11674	9.1
137.05927	2.3
137.09598	10.8
139.07526	10.1
142.07738	2.3
143.08549	2.4
144.09288	5.1
145.06448	3.1
145.10092	10.4
146.07256	1.6
147.07991	6.9
147.11610	2.2
148.07573	2.1
149.02333	2.6
149.05957	5.2
149.07857	3.6
149.09596	80.2
149.13234	2.0
151.09758	1.3
151.11147	4.6
153.09096	10.2
157.10115	7.2
159.06319	4.7
159.08023	3.0
159.11671	23.9
161.09607	13.0
163.07538	4.2
163.11142	18.0
165.09059	8.4
167.07008	4.1
169.10063	2.0
172.08778	4.5
175.11165	20.5
176.07051	2.3
177.05672	1.9
177.07346	12.6
177.12706	15.1
178.06145	1.4
179.10646	18.1
181.12207	1.5
187.11154	24.1
190.02568	1.6
193.12238	4.5
204.80302	1.2
205.12193	46.0
223.05887	7.0
223.09654	2.5
223.13248	56.3
223.16814	2.9
224.64467	1.2
225.04213	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1325
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
53.03929	3.3
54.76675	1.4
55.01844	4.3
55.05503	22.0
57.03430	6.7
57.07058	2.2
59.04979	3.7
65.03936	1.4
67.05492	10.7
69.03421	12.1
69.07068	10.6
70.52508	1.3
71.04967	3.9
71.07650	1.2
71.25125	2.7
78.04723	1.5
79.05465	8.7
81.03412	6.9
81.07053	10.0
83.01310	4.4
83.04973	19.7
83.08588	1.7
85.02427	2.4
85.02897	37.4
85.06517	4.4
91.05466	18.1
93.06467	2.4
93.07031	38.4
94.97704	1.4
95.04947	15.9
95.08597	14.9
97.02849	2.2
97.06500	4.6
97.10157	16.8
99.04474	1.3
103.05475	1.8
105.07016	17.3
107.04930	8.5
107.08573	21.1
109.06496	26.4
109.10140	7.0
111.00737	1.4
111.04402	2.2
111.08069	16.7
113.06007	7.4
117.06997	8.9
119.08583	16.1
121.06488	58.3
121.07360	3.1
121.10117	15.6
123.04376	2.1
123.08045	20.1
125.05952	1.8
125.09592	5.7
127.07523	1.7
129.06976	2.1
130.07753	2.4
131.08537	8.1
133.10121	21.2
134.03636	2.2
135.04402	2.3
135.08023	22.6
135.11667	16.6
137.05960	3.6
137.09587	20.9
139.07501	11.8
139.11102	1.8
143.08528	3.6
144.09276	1.7
144.78075	1.3
145.06497	2.2
145.10101	15.4
146.07253	1.8
147.08012	3.8
149.02277	2.0
149.05939	4.3
149.09593	43.5
149.13203	5.6
151.03891	9.3
151.07521	2.5
151.11147	6.3
153.09120	8.2
158.07248	1.6
159.08044	2.6
159.10439	1.8
159.11684	26.2
161.09624	11.5
162.03052	9.2
163.03847	4.1
163.07520	3.7
163.11153	20.8
165.09109	15.0
167.07002	6.0
172.08827	2.7
175.11157	5.4
177.12724	26.5
179.03319	2.4
179.10666	16.3
181.12216	1.9
187.11107	10.1
190.02605	10.6
191.03157	1.5
193.12202	3.6
195.06523	1.6
195.13731	5.5
205.12218	38.7
207.02892	3.6
208.03716	6.7
223.05983	44.8
223.09996	7.6
223.13258	100.0
224.06381	1.6
224.13660	1.9
225.04311	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0597
Annotation	K 251-1
Peak:m/z	Relative Intensity
58.14059	0.3
60.58126	0.4
67.05482	0.7
69.03398	0.8
69.07061	0.5
71.35720	0.7
73.49892	0.4
78.04703	2.5
79.05481	2.2
81.03400	0.4
81.07021	0.9
83.04935	0.6
87.85847	0.3
91.05476	2.0
93.07019	1.3
95.04939	0.9
95.08577	0.7
103.05415	0.4
105.03355	1.1
105.06995	0.9
106.04156	1.7
107.04941	14.1
107.08572	1.5
115.05434	0.7
117.07009	1.1
119.04918	0.3
121.02764	0.4
121.06486	1.3
121.10102	0.5
123.04439	0.4
123.08060	0.6
129.06992	0.7
131.08522	0.9
133.02785	0.7
133.10033	0.6
134.03622	3.9
135.04382	5.1
135.08003	1.0
135.11671	0.9
137.02339	0.4
137.05937	0.5
137.09627	0.5
145.03941	0.6
145.06490	2.2
149.02307	0.6
149.09642	0.5
155.06088	0.4
159.08041	2.3
159.11682	1.2
161.02362	0.4
161.05946	0.8
162.03101	19.3
163.03885	8.3
163.11130	1.2
165.01807	0.8
167.07002	1.4
173.05957	2.4
177.05432	1.4
177.09091	0.3
177.12749	2.2
178.06071	0.4
179.03363	4.5
179.06943	0.7
180.04134	1.5
187.07533	3.6
187.14790	0.4
190.02585	21.3
191.03235	1.1
193.01303	1.6
194.02068	1.9
195.06517	1.7
205.01251	0.6
205.08560	4.9
205.12166	3.0
207.02873	8.5
208.03633	13.2
223.05977	100.0
223.13231	1.6
224.06340	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0757
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
50.58519	0.3
51.73740	0.3
54.72086	0.3
55.05507	1.8
56.45695	0.3
67.05485	0.5
69.03429	0.3
69.50242	0.3
70.58121	1.1
72.08081	0.3
83.08599	3.2
83.22361	0.3
91.05492	0.4
93.07053	0.3
97.19676	0.3
97.80086	0.3
101.09634	0.8
103.05442	0.8
104.04936	0.5
105.07043	0.5
115.05413	0.4
118.06547	0.6
120.08083	11.4
130.06505	96.4
131.04912	1.3
131.06827	1.9
132.04427	15.9
148.07547	29.9
149.07922	0.7
149.09592	0.5
158.05984	32.0
159.06384	0.6
163.07526	0.5
176.07040	100.0
177.07478	2.1
177.08839	0.5
178.09348	0.6
194.04323	0.9
204.06563	0.9
205.08878	1.0
222.03967	0.6
222.07587	10.0
222.10968	1.6
223.13286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.39644	1.9
51.79790	1.9
55.05502	10.5
57.07052	7.7
59.04995	5.3
67.05497	18.6
69.03440	3.1
69.07066	18.0
69.63470	1.9
71.04976	7.4
71.62715	2.9
74.57651	2.0
75.22265	1.9
76.87194	1.9
79.05487	14.9
81.07046	56.6
83.04952	5.8
83.08599	7.2
85.06524	4.0
91.05465	15.2
93.07033	31.2
95.04971	4.2
95.08597	60.8
97.06529	3.7
97.10175	2.4
98.97540	3.7
99.08094	5.4
105.07018	35.7
107.04945	3.6
107.08579	41.7
109.06512	4.3
109.10145	37.8
111.04439	1.9
111.08047	4.0
111.11737	4.3
111.17989	1.9
116.98620	3.9
117.07004	3.7
119.08561	33.1
121.06522	2.1
121.10129	27.3
123.08043	4.0
123.11691	17.5
133.06520	2.7
133.10107	31.8
134.99609	4.8
135.08087	3.0
135.11665	24.1
137.05968	9.0
137.09573	3.8
137.13229	5.0
139.11160	5.9
141.34213	1.8
145.10172	2.9
145.62794	1.7
147.04390	2.0
147.08098	3.4
147.11658	45.2
147.12772	3.1
149.13231	7.7
151.03903	1.8
151.11139	1.9
158.01259	3.2
159.11655	3.3
161.05974	2.8
161.09604	4.3
161.13225	20.9
163.14796	17.2
165.05403	2.4
165.09064	2.1
165.12755	4.1
175.07486	3.3
175.11229	3.2
175.14804	16.8
177.09123	11.1
177.16377	6.4
179.10646	3.4
179.14346	2.4
181.16104	2.1
193.15912	3.2
203.10660	6.1
203.14244	3.4
203.17932	100.0
206.16138	4.4
221.04297	2.5
221.08023	6.0
221.11595	12.5
221.15479	14.0
221.18997	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
53.03949	0.8
53.86344	0.7
55.05502	10.3
57.07068	4.6
59.04972	1.1
62.91013	0.6
66.21043	0.6
67.05500	19.6
69.07060	35.6
69.50294	5.7
71.04987	1.3
79.05483	5.1
81.07049	50.5
82.07378	0.7
83.08606	9.8
86.08039	0.6
91.05458	2.0
93.07031	6.5
95.08595	53.6
97.06531	1.0
97.10159	10.1
98.21587	0.8
99.08070	1.5
105.07021	9.7
107.08577	12.9
107.36489	0.7
108.55510	0.6
109.06528	1.5
109.10144	82.8
110.10474	1.1
111.08073	1.4
111.10907	1.2
111.11707	23.5
115.84395	0.6
119.08562	11.6
121.10145	9.7
123.08095	1.0
123.11697	28.2
125.09602	1.6
133.10121	9.2
135.11649	6.0
137.13234	11.0
139.11176	3.2
146.72609	0.7
147.11671	13.1
149.13226	2.8
151.11163	0.7
153.12735	2.4
160.12506	0.7
161.06026	0.9
161.13216	4.0
163.14841	3.6
165.12752	5.2
175.14825	2.0
177.09027	1.3
177.16434	1.5
185.84825	0.7
191.23328	0.7
193.19528	5.6
203.17934	31.1
221.18982	100.0
222.19382	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03926	1.5
55.05508	6.6
57.07054	1.2
67.05501	4.7
69.07066	7.6
69.48978	1.9
69.49380	6.6
71.04983	15.0
79.05479	13.5
81.07046	59.1
83.04985	1.2
83.08595	2.5
91.05477	6.9
93.07029	25.4
95.04958	1.5
95.08585	15.6
97.06502	1.3
97.10182	1.3
99.08075	3.6
100.48931	0.9
103.05424	1.4
105.07021	18.3
107.08580	43.2
109.06507	2.3
109.10133	15.4
111.08051	1.4
113.09598	1.9
115.05426	2.4
117.00909	1.0
117.07005	5.8
119.08567	29.6
121.10123	4.0
123.08035	1.2
123.11687	12.7
127.11184	6.2
128.06299	1.0
129.06963	1.0
131.04945	1.7
133.06468	2.9
133.10120	14.9
135.11676	82.0
137.09584	1.5
137.13297	1.1
145.10098	1.2
147.11667	14.5
149.13231	4.8
151.11176	1.1
153.12764	1.2
160.05144	1.2
161.05946	2.3
161.08244	0.9
161.13225	8.2
162.06738	4.2
163.07460	1.1
163.14787	2.0
164.12805	0.9
165.12741	1.5
175.07559	4.5
175.11113	1.1
175.14711	1.7
177.09087	100.0
178.09409	2.3
189.05380	1.2
193.08472	1.3
203.10570	2.5
203.17935	25.8
211.36214	0.9
221.08047	2.0
221.11609	1.3
221.15396	1.7
221.18991	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	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.01625	0.9
51.94286	0.8
53.03932	1.8
54.38497	0.9
55.05491	5.9
57.07066	2.2
59.04997	0.8
63.43079	0.9
67.05497	6.3
69.07047	6.5
70.32597	4.6
71.04982	14.1
71.08601	1.2
79.05480	17.7
81.07041	69.0
83.04988	1.7
83.08609	4.2
85.06530	1.3
89.22105	1.0
91.05470	7.7
93.07026	30.9
95.08588	18.4
97.10120	1.7
97.86639	0.9
99.08098	4.5
105.07013	19.0
107.08575	52.6
109.06505	1.9
109.10136	14.0
111.08059	1.2
117.07009	1.7
119.08565	31.3
121.10111	6.6
123.11674	14.5
127.11166	8.2
133.10107	17.3
135.11670	100.0
137.09579	1.2
137.13248	1.7
145.10117	1.7
147.11659	15.6
149.13239	4.7
151.11095	1.5
153.12733	1.4
161.06006	3.6
161.13206	6.3
163.14795	2.8
177.09058	5.2
177.16420	2.0
193.08530	1.2
203.17940	26.9
221.08087	1.5
221.18974	29.0
244.67114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	(-)-(E)-Lanceol
Peak:m/z	Relative Intensity
55.05492	6.3
57.07066	1.7
59.04991	4.6
67.05507	7.7
69.07055	12.3
69.57714	6.0
71.04983	31.8
71.08578	1.7
73.06540	6.5
77.62227	0.8
79.05467	3.7
81.07048	18.4
83.04958	1.0
83.08597	3.1
91.05470	6.6
93.07030	15.9
95.04969	1.1
95.08595	28.8
97.06501	1.0
97.10154	7.7
105.07015	19.6
107.08585	19.1
109.06503	1.2
109.10139	14.3
111.11759	0.8
113.04407	0.7
116.98599	0.9
119.08572	18.0
121.10128	18.6
123.08012	0.9
123.11674	6.9
125.09572	2.2
133.10115	19.2
135.11685	4.2
137.13249	2.0
139.11154	5.7
145.10114	1.2
147.11668	28.9
149.13249	34.6
151.11168	5.6
161.13234	13.9
163.14801	5.3
165.12718	3.4
168.22238	1.0
175.11087	0.9
175.14771	5.0
177.09103	1.6
177.16359	5.9
190.02879	0.9
194.98305	0.9
203.10606	1.2
203.17928	52.5
221.05988	1.5
221.08043	1.5
221.11774	1.7
221.15450	2.4
221.18985	100.0
222.19273	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.23989	0.9
53.03934	1.2
55.01868	1.2
55.05501	8.5
57.07074	5.8
58.80277	1.0
59.04984	2.0
65.60197	0.9
67.05494	15.7
69.03431	1.0
69.06712	1.6
69.07058	22.7
70.28060	4.5
71.04981	2.5
79.05473	11.7
81.06572	2.2
81.07044	35.5
83.04971	2.5
83.08600	5.5
85.06519	2.2
91.05465	22.7
93.07024	26.4
95.04956	2.7
95.08589	50.6
97.02897	1.3
97.06522	2.4
97.10166	2.6
98.97520	1.8
99.04428	1.8
99.08064	2.7
105.07012	37.8
106.07339	1.0
107.07852	2.0
107.08580	34.9
109.06509	2.8
109.10141	33.7
111.08076	6.6
111.11695	3.5
115.05403	1.6
116.98592	2.5
117.07009	1.5
119.08558	32.1
119.84560	1.0
121.10123	26.4
122.10442	3.0
123.08074	2.3
123.10875	1.6
123.11694	11.3
125.09604	2.7
127.11169	4.2
131.08572	1.1
133.10114	40.0
134.99638	3.3
135.08073	1.8
135.11678	21.5
137.05962	2.5
137.09595	2.9
137.13228	2.5
139.11101	1.5
145.10069	1.4
147.07993	2.0
147.11662	63.9
149.13239	20.4
151.11185	3.6
151.14748	1.3
158.01251	1.6
159.11688	1.7
161.05972	1.5
161.09590	2.2
161.13234	22.8
163.14810	7.8
165.09100	2.0
165.12724	2.0
175.11102	1.5
175.14793	10.5
177.09106	5.6
177.16380	2.7
185.13116	1.2
193.15854	8.1
203.07031	1.3
203.10693	2.4
203.14221	3.1
203.17934	73.7
204.18324	1.3
206.10918	1.2
221.04347	1.4
221.07983	3.5
221.11702	4.9
221.15703	11.8
221.18977	100.0
222.05208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
53.03941	0.6
53.49661	0.5
55.05226	0.8
55.05500	11.6
57.07064	5.0
59.04980	1.7
62.08821	0.6
65.03938	0.5
67.05494	19.2
67.05861	1.2
69.07059	36.6
69.39596	1.5
69.40011	4.6
71.04985	1.2
71.08617	0.9
79.05463	5.6
81.07043	54.6
83.08605	11.1
91.05453	2.8
93.07032	7.7
95.08592	56.5
96.08926	0.9
97.06535	1.5
97.10160	11.7
99.08076	1.0
105.07020	10.0
107.08575	12.1
108.88373	0.6
109.10138	88.9
110.10453	0.9
111.08070	1.9
111.11708	25.4
117.07022	0.8
119.08555	12.8
121.10113	5.8
123.08070	1.3
123.11685	28.2
125.09602	2.9
133.10117	10.7
135.08112	0.7
135.11661	7.9
137.09633	1.2
137.13231	12.3
139.11176	3.5
147.11662	14.9
149.13254	3.0
153.12727	2.6
161.13223	5.5
163.14774	3.5
165.12750	6.0
175.14827	1.7
177.09061	1.0
177.16431	1.3
193.19481	7.0
203.17928	32.1
204.18100	0.7
221.11717	2.1
221.18973	100.0
222.19319	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
51.52447	0.9
55.05502	11.1
57.07057	3.8
58.19404	0.8
63.18795	0.9
67.05161	1.5
67.05497	19.7
69.07059	36.4
70.29726	3.1
71.04964	1.9
79.05475	6.1
81.07046	57.0
83.04955	1.1
83.08607	9.0
85.06514	1.5
91.05451	3.8
93.07037	9.3
95.08593	59.9
97.06525	1.1
97.10154	11.3
99.08059	1.7
105.07018	13.0
107.08576	16.2
109.06525	1.6
109.10141	83.5
111.08070	3.4
111.11697	23.6
119.08572	15.1
121.10125	10.3
123.11687	28.2
125.09616	3.3
131.08626	1.1
133.06451	2.0
133.10103	12.9
135.11662	11.7
137.13229	10.1
139.11166	3.2
147.11661	17.4
149.13232	3.8
151.11137	1.3
153.12682	2.3
161.05994	1.0
161.13226	7.2
163.14790	3.8
165.12769	5.9
175.07593	1.3
175.14801	2.9
177.09093	1.3
177.16449	1.8
193.08620	1.5
193.19484	5.4
202.90129	0.9
203.10809	1.0
203.17929	36.9
204.18275	0.9
221.07973	1.8
221.11761	1.8
221.15384	3.0
221.18980	100.0
222.19348	2.1
238.43813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Fokienol
Peak:m/z	Relative Intensity
53.03925	1.9
55.05506	10.7
55.06475	1.3
57.07058	4.0
59.04993	1.3
60.94514	1.1
63.80137	1.3
65.61399	1.2
67.05496	12.4
69.07058	23.1
70.67770	2.3
70.68171	1.9
71.04985	20.5
73.06503	1.2
79.05482	15.2
81.07047	100.0
83.08603	5.6
87.12132	1.2
91.05464	10.3
91.56133	1.2
93.07034	36.7
95.08598	42.2
97.06509	2.4
97.10148	6.1
99.08081	4.6
102.71722	1.2
105.07024	39.0
107.07849	2.9
107.08578	43.2
108.98699	1.7
109.06494	1.5
109.10143	56.8
111.08031	1.9
111.11705	10.8
113.09612	1.6
119.08568	57.3
121.10135	11.0
123.08136	1.7
123.11694	22.4
125.09612	2.0
127.11177	10.9
131.04892	1.8
133.06482	2.4
133.10112	15.3
135.11671	73.2
137.09587	1.6
137.13229	6.9
139.11176	2.4
145.10127	2.8
147.11670	24.1
149.13229	7.2
153.12762	1.6
159.11746	1.5
161.05957	4.5
161.13210	11.5
163.14789	3.6
165.01830	1.5
165.12744	3.4
175.07536	2.9
175.14819	3.0
177.05472	3.0
177.09067	3.5
177.16306	1.6
189.05461	2.4
193.08614	3.5
193.19530	3.5
203.17934	49.9
212.53333	1.2
221.08031	3.5
221.15459	2.7
221.18985	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.7
55.05719	0.1
57.07063	0.5
59.04984	0.3
67.05492	1.1
69.03404	0.3
69.07047	1.7
69.95577	0.3
69.95991	0.6
71.04989	1.0
79.05485	1.5
81.07044	4.9
83.04980	0.2
83.08606	0.4
84.63432	0.2
85.06528	0.3
91.05463	1.5
93.07037	2.6
95.04947	0.4
95.08033	0.3
95.08590	2.8
97.06500	0.3
98.21469	0.3
103.05469	0.5
105.07011	3.1
107.04926	0.9
107.08581	2.9
107.32310	0.2
109.06518	0.5
109.09438	0.2
109.10139	2.1
111.08073	0.4
111.11677	0.5
115.05441	1.0
116.06225	0.3
117.06995	4.2
119.04887	0.3
119.08557	3.0
121.06484	0.5
121.10121	1.5
123.08045	0.5
123.11701	1.1
125.09570	0.3
127.11169	0.2
127.88368	0.2
128.06143	1.0
129.06961	0.3
131.04884	0.6
131.08540	0.4
133.06474	1.2
133.10097	1.9
134.07253	0.6
135.08057	1.1
135.10687	0.3
135.11679	3.2
137.05975	0.5
137.09579	0.3
143.04926	0.2
143.08543	1.2
144.03116	0.2
144.05676	0.3
145.06477	1.1
145.10098	0.3
147.04367	0.3
147.08014	0.5
147.11658	2.0
149.09538	0.2
149.13327	0.4
151.03870	0.4
151.07489	0.2
151.11227	0.2
157.10080	0.2
160.05159	0.5
161.05949	1.5
161.09586	0.4
161.13281	1.2
162.06737	3.9
162.08092	0.2
163.07590	0.3
163.14772	0.6
165.06895	0.3
165.09109	0.3
165.12727	0.2
171.07993	0.7
175.07529	3.4
175.11151	0.5
175.14836	0.8
177.09079	100.0
178.09412	1.6
179.06987	0.2
185.13255	0.4
189.05432	0.5
191.06996	0.3
193.08560	0.7
203.07036	0.4
203.10626	1.3
203.14249	0.8
203.17926	2.2
206.16232	0.2
209.76633	0.1
221.05974	0.4
221.08017	1.1
221.11792	1.3
221.15431	1.8
221.19016	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	221.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.1
55.01859	0.2
55.05502	0.7
56.34456	0.1
57.07071	0.5
63.02341	0.1
65.03921	0.2
67.05491	1.1
69.03400	0.2
69.07059	1.0
69.33543	1.0
71.04985	1.2
71.08611	0.1
77.03937	0.1
79.05487	1.5
81.03448	0.1
81.07044	6.1
83.04956	0.3
83.08630	0.5
85.06530	0.2
91.05456	1.8
91.06001	0.1
93.07030	3.1
95.04953	0.3
95.08591	2.7
97.02917	0.1
97.06514	0.3
97.10146	0.2
99.08108	0.2
103.05442	0.7
104.06266	0.1
105.07014	3.6
107.04958	0.2
107.08580	4.8
109.06479	0.6
109.10135	2.4
111.08083	0.6
111.11700	0.2
115.05437	1.4
116.06233	0.5
117.07005	4.2
119.04913	0.2
119.08563	3.6
121.06482	0.4
121.10133	1.4
123.08033	0.4
123.11697	1.7
125.09586	0.1
127.11227	0.5
128.06206	0.9
129.06915	0.1
131.04893	0.7
131.08554	0.3
132.05693	0.2
133.06477	1.2
133.10117	2.3
134.07256	0.7
135.08052	1.0
135.11674	7.2
137.05949	0.4
137.09608	0.4
137.13211	0.2
139.11176	0.2
143.04875	0.2
143.08554	1.2
144.05688	0.5
145.06454	1.0
145.10095	0.3
146.03619	0.1
146.07224	0.2
147.04439	0.2
147.08104	0.5
147.11671	2.0
149.02296	0.2
149.05891	0.1
149.09604	0.3
149.13258	0.7
151.07532	0.1
151.11169	0.3
157.10095	0.2
159.08005	0.2
159.11642	0.2
160.05180	0.5
161.05971	1.4
161.09573	0.4
161.13240	1.2
162.06740	4.6
163.07547	0.5
163.09425	0.1
163.11055	0.1
163.14909	0.5
165.06940	0.1
165.09059	0.2
171.08047	0.8
173.05939	0.2
175.07542	3.3
175.11131	0.3
175.14822	0.5
177.09081	100.0
178.09453	1.2
179.10631	0.2
186.68262	0.1
188.08223	0.2
189.05426	0.3
191.07033	0.2
193.08557	0.9
203.07007	0.4
203.10616	1.2
203.14372	0.2
203.17950	3.0
221.04230	0.2
221.06036	0.2
221.07968	1.1
221.09802	0.1
221.11682	1.4
221.15338	0.7
221.17239	0.6
221.19054	3.2
222.11200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.2
55.05489	0.2
57.03415	0.1
59.82426	0.1
60.45382	0.1
67.05478	0.5
69.07061	0.8
69.71110	0.4
69.71523	0.6
71.04971	0.7
72.55908	0.1
79.05479	0.7
79.33181	0.1
81.07040	2.0
83.04982	0.2
83.08577	0.2
85.06544	0.3
91.05469	1.5
93.07027	0.9
95.04955	0.2
95.08584	1.1
97.06516	0.3
98.20824	0.2
99.04449	1.2
103.05447	0.5
105.07014	1.6
105.66656	0.1
107.04919	0.5
107.08569	1.0
109.06513	0.3
109.10123	0.7
111.08047	0.3
111.11678	0.1
115.05431	1.0
116.06194	0.5
117.06200	0.3
117.06997	4.3
118.06503	0.3
119.04878	0.2
119.06843	0.2
119.08550	1.5
121.06509	0.5
121.10114	0.7
121.86199	0.1
123.08044	0.2
123.11642	0.6
128.06200	1.1
129.06985	0.2
131.04926	0.3
131.08502	0.2
133.06468	1.1
133.10088	0.8
134.07237	0.8
135.08029	0.9
135.11685	0.7
137.05945	0.5
143.04868	0.3
143.08537	1.4
144.05695	0.6
145.06447	0.8
145.10098	0.4
147.04405	0.4
147.08040	0.4
147.11671	0.9
149.05925	0.2
149.09554	0.2
151.07460	0.2
151.11070	0.3
154.17445	0.1
157.10120	0.3
159.08049	0.2
159.11572	0.1
160.05182	0.5
161.05949	1.2
161.09563	0.4
161.13216	0.5
162.06729	4.4
163.07544	0.3
163.09460	0.2
163.11143	0.2
165.07010	0.3
165.09033	0.2
171.08017	0.6
175.07507	2.5
175.11104	0.3
175.14812	0.3
177.09070	100.0
178.09418	1.6
185.13150	0.2
188.08224	0.2
189.05423	0.3
191.06906	0.2
193.08582	0.5
203.06996	0.3
203.10645	0.8
203.14255	0.5
203.17924	1.1
221.06058	0.3
221.08046	0.8
221.11638	1.2
221.15315	0.8
221.17255	5.6
221.18997	0.9
222.11214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0917
Annotation	(S)-beta-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.90097	0.4
53.03887	0.6
53.60064	0.4
54.31923	0.5
55.01807	0.6
55.05463	0.9
57.07001	3.1
59.06060	0.6
67.05428	3.0
68.04992	0.6
69.03378	1.1
69.06992	1.8
70.06540	0.8
71.36554	1.2
71.36906	0.6
74.02350	0.7
78.53350	0.6
79.05427	2.1
81.03361	0.7
81.07032	3.7
82.02880	1.0
83.04935	1.1
83.08535	1.9
85.02831	0.9
91.05426	2.3
93.06968	2.1
94.06546	2.8
95.01311	2.6
95.04906	1.4
95.08590	2.7
97.02821	1.5
103.05385	1.3
105.03292	0.6
105.07019	2.5
105.07585	0.5
106.06471	1.0
107.04904	0.8
107.08533	1.8
109.02813	0.9
109.06458	1.3
109.10133	3.1
111.04407	0.8
111.08083	3.5
115.05442	3.0
116.07061	0.8
116.98567	0.7
117.05724	0.6
117.06947	0.7
118.06472	0.6
119.04911	0.7
119.08566	2.7
120.08062	1.5
121.06522	2.5
121.10070	1.8
123.08011	0.9
123.11711	1.0
127.07014	0.7
128.06183	0.6
129.06923	1.8
130.06509	48.6
131.04863	1.7
131.06834	0.7
132.04436	27.8
132.08014	1.0
133.06456	1.3
133.10091	1.8
134.05101	0.8
134.06000	9.5
135.07996	0.9
137.05962	2.5
137.09546	2.3
143.04851	0.7
146.05988	3.1
147.04424	1.0
147.06332	3.0
147.07983	1.4
147.09157	1.4
147.11656	1.3
148.07552	6.1
149.05960	0.5
151.07439	0.9
153.09062	1.4
157.06503	1.0
157.07599	17.2
158.05994	66.6
159.06503	1.7
160.03847	0.5
160.07562	5.5
161.05975	4.0
161.09590	1.4
161.13242	0.7
162.05478	18.7
163.07481	1.2
165.05490	1.0
165.09109	1.5
175.08655	100.0
175.14743	1.6
176.07008	7.5
176.08611	0.9
177.05510	0.9
177.09094	1.0
179.00017	0.6
179.10629	1.6
186.05467	8.0
191.09038	0.6
193.04994	0.8
193.08615	1.2
193.15923	2.7
194.04439	1.2
203.06992	2.1
203.10756	1.0
203.14384	1.0
203.18033	0.7
204.06535	31.4
206.16125	0.8
221.04515	2.0
221.09258	32.6
221.11748	2.9
221.15407	4.2
221.18373	1.2
221.22571	0.6
222.04079	1.1
222.07584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0804
Annotation	Polygonolide
Peak:m/z	Relative Intensity
55.01858	3.2
55.05490	3.6
57.07068	3.1
67.05482	5.2
69.03408	4.0
69.07053	5.1
70.34415	3.5
70.34815	2.3
71.01331	2.2
71.04958	2.1
79.05489	7.6
81.07041	15.7
83.04947	3.1
83.08586	2.8
85.06522	8.5
91.05458	11.0
93.07030	9.5
95.04946	6.0
95.08591	12.4
97.06549	2.2
98.20807	2.0
103.05450	26.9
105.07015	31.4
107.04942	2.2
107.08569	8.6
108.05704	2.1
109.06482	4.7
109.10139	12.0
111.08092	3.0
113.54844	1.2
115.05431	37.8
117.07016	8.5
118.04137	1.5
119.04931	3.1
119.08576	15.3
121.06475	2.6
121.10113	9.5
123.08018	5.3
123.11685	7.6
128.06197	3.6
129.06998	2.1
130.04100	2.2
130.92288	1.2
131.04904	63.2
131.08521	1.8
132.05676	5.6
133.06474	22.3
133.10112	7.9
135.08047	3.2
135.11694	8.4
136.05150	2.1
137.05984	9.3
137.09602	3.1
142.07649	1.4
143.04903	46.7
143.08539	4.3
144.05659	4.9
145.06470	4.6
146.03549	3.0
147.04391	7.4
147.07994	7.1
147.11685	5.2
148.05150	4.0
149.02310	3.0
149.05919	6.9
149.09590	1.6
149.13211	2.0
150.06729	3.0
151.03874	3.2
151.07518	65.8
151.11108	2.7
153.08931	1.4
157.10078	2.2
159.04382	6.3
160.05174	38.3
160.06483	2.1
161.05957	36.2
161.09636	2.8
161.13242	3.7
162.03085	8.3
162.06714	7.7
163.03934	2.1
163.07521	61.3
163.11159	4.6
165.05458	2.5
165.06923	2.7
165.09100	29.4
167.04878	1.5
171.04343	10.1
171.05589	1.6
171.07954	2.5
175.07523	93.8
175.10982	3.1
175.14726	2.8
176.04637	15.1
176.08043	1.7
177.05453	100.0
177.09081	65.6
177.16360	2.3
178.06250	6.8
179.07022	6.4
185.13245	1.7
189.05423	9.0
191.07002	61.5
192.07649	2.8
193.06790	2.5
193.08586	32.2
201.06598	1.6
203.06975	24.2
203.10638	6.0
203.14256	2.7
203.17886	9.8
204.07336	1.4
206.05685	3.7
221.06203	3.5
221.08044	98.5
221.11646	8.8
221.15347	12.6
221.17108	2.0
221.19101	10.4
222.08243	2.5
222.11224	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
56.05013	0.8
56.96552	1.8
57.07063	2.5
58.99859	0.8
67.05487	2.3
69.07039	0.9
69.39937	6.8
71.08633	0.8
77.00927	0.9
79.00648	0.9
81.07038	2.0
82.01436	2.1
82.99850	1.1
83.08620	0.7
95.08597	1.5
98.20758	1.7
98.97581	1.6
100.02463	11.4
101.00854	8.8
102.02278	0.8
109.10150	2.2
111.08045	1.5
116.98614	3.5
118.03505	11.3
119.01904	100.0
120.01988	2.7
121.01645	2.4
121.06465	2.1
121.91085	0.8
133.03442	0.8
133.10097	1.1
134.99622	2.5
136.04510	3.7
137.02937	64.6
137.09616	1.0
138.03014	2.0
139.00854	2.1
139.02591	1.4
142.03441	5.5
143.01831	1.7
143.03648	0.8
148.01405	3.4
149.06587	2.2
149.99745	0.7
150.51674	3.0
151.01727	1.4
151.11078	0.9
153.00612	1.1
156.62286	0.8
157.04602	0.9
158.01176	0.9
159.52249	1.8
160.04535	4.1
161.02933	40.5
161.04654	2.2
161.60945	0.8
162.03088	1.0
163.02655	1.4
174.06088	1.6
175.02693	1.1
175.04440	3.2
177.00896	1.5
178.00955	1.0
179.00702	14.2
179.03984	84.6
179.97961	5.2
180.04129	2.7
184.04535	3.9
191.05742	1.0
195.51395	2.4
196.01424	1.3
197.99081	19.6
198.02303	1.0
198.05869	3.9
198.99118	0.9
199.05734	1.1
202.05510	4.5
203.00864	0.9
203.03952	2.3
205.84683	0.8
206.16219	1.4
216.00151	2.2
216.07161	2.3
216.11285	0.8
217.09091	1.0
219.02051	1.3
221.01752	68.5
221.05095	4.9
221.06932	4.0
221.15289	2.3
221.18068	1.1
222.01859	2.9
223.02068	1.0
231.70341	0.7
232.96356	1.0
244.03363	3.3
244.06364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1692
Annotation	Fabianine
Peak:m/z	Relative Intensity
51.37320	0.1
58.60622	0.1
59.64300	0.1
66.12613	0.1
67.05478	0.2
69.30265	1.5
93.07020	0.3
95.04967	0.2
95.08575	0.2
100.42927	0.1
103.05453	0.2
105.07018	0.4
106.06555	0.2
117.07014	0.2
118.06516	7.3
119.07219	0.1
119.08559	0.2
121.10168	0.1
131.04901	0.2
132.01270	0.2
132.08058	1.9
132.08949	0.3
133.08871	0.8
133.09840	0.1
134.09610	0.6
144.07950	0.2
146.09599	1.9
147.10381	0.2
151.07492	0.2
160.11124	0.3
161.06007	0.2
161.11911	0.2
162.09103	4.7
163.07495	0.3
163.09836	0.1
165.09053	0.3
175.07449	0.6
176.07884	0.4
176.10742	3.2
176.14307	23.9
177.05562	0.3
177.09102	1.9
177.11395	0.9
177.14647	0.4
189.14917	0.2
190.09476	0.2
190.12201	2.9
191.07011	0.2
191.12967	0.2
202.15790	0.9
205.15862	0.3
220.16910	100.0
221.05949	0.2
221.08031	0.3
221.15216	0.2
221.17204	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
52.49105	0.6
55.01855	1.2
55.05501	1.3
56.01362	1.0
57.07071	8.2
57.34509	0.8
59.04994	6.6
66.51646	0.6
67.05499	7.3
69.03430	1.0
69.07056	5.2
70.01884	2.8
70.02306	1.1
70.02944	6.8
70.06598	0.9
72.04508	16.1
72.08130	3.6
73.02921	4.0
73.06565	1.0
74.02441	2.0
81.07034	1.8
83.04974	1.5
85.02872	0.9
85.06534	12.1
86.06042	2.1
86.09686	1.4
87.04456	5.9
87.08112	1.7
90.05543	100.0
93.74155	0.7
95.04957	8.0
96.08121	2.3
98.01809	1.4
98.02408	15.0
98.06051	7.9
98.09686	3.6
100.03973	3.0
103.07572	8.7
113.05982	2.7
116.03434	16.1
117.55433	0.7
123.84560	0.7
124.07574	21.3
125.21456	0.8
130.34305	0.8
131.07011	1.1
132.95917	0.7
140.10677	5.4
142.08620	7.6
144.10176	4.8
156.10162	1.0
158.10446	1.4
158.11751	24.8
160.03235	1.7
160.09717	2.2
166.08614	2.4
174.11256	2.4
184.09679	17.8
192.02831	1.0
202.08788	1.5
202.10718	29.5
202.14259	3.4
204.14616	1.8
205.15913	4.3
220.11777	36.7
220.15089	4.4
220.17554	7.9
237.99261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Pantothenate
Peak:m/z	Relative Intensity
53.03941	1.4
55.01851	4.5
55.05499	2.9
56.05012	2.0
56.96547	3.1
57.03434	15.1
57.07063	7.7
58.99865	1.1
59.04993	6.8
60.04502	2.4
61.02917	22.5
67.05497	6.6
68.05013	2.4
68.29700	1.1
69.03421	16.9
69.07037	5.2
69.07369	1.1
70.02940	8.5
70.06564	3.8
70.45493	2.0
70.45887	2.9
71.01326	2.3
71.04979	1.8
72.04510	15.0
72.08117	1.7
72.93799	1.2
73.02907	23.9
73.08455	1.0
73.28340	1.1
74.02437	1.5
74.03210	1.2
74.06061	9.2
81.03394	5.1
82.06528	1.2
83.04951	4.1
83.55331	1.3
84.04476	4.1
84.95978	1.2
85.02890	26.2
85.06542	14.4
86.03238	1.6
86.06062	1.5
86.09688	1.7
87.04469	5.8
87.08092	2.1
88.03975	1.7
89.02427	1.1
90.05542	100.0
90.94765	1.3
91.03929	1.6
94.01741	1.5
94.02666	2.3
95.01311	2.4
95.04957	8.3
96.02395	1.3
96.04479	2.3
96.08087	2.2
97.02863	16.2
98.02394	13.8
98.06013	2.5
98.09689	1.4
98.97569	4.9
99.04436	2.4
100.02469	3.2
100.03978	2.9
101.00871	3.9
101.02367	5.6
103.02393	1.6
103.03185	1.0
103.03947	1.8
103.07557	9.3
107.04926	1.2
109.02855	2.2
110.01305	1.8
110.06035	1.7
110.97498	1.5
111.02923	1.8
111.04456	2.5
112.07574	1.7
113.00854	1.9
113.02349	5.9
113.05994	1.8
114.05522	1.6
115.02352	3.5
115.03909	2.4
116.03429	17.0
116.98607	2.5
117.02139	1.9
118.03501	1.3
119.01898	18.2
119.08575	1.3
120.01984	5.2
120.03316	1.7
120.04231	1.2
121.01655	3.9
121.03304	1.6
123.02019	1.6
123.02898	1.7
124.03748	1.2
124.07571	21.8
126.03405	1.4
127.03891	8.1
128.03416	3.5
128.07062	1.4
128.10730	2.3
128.98570	1.5
129.02983	1.2
129.03947	1.6
130.03923	2.3
130.08672	1.9
131.01878	8.5
131.03452	2.2
131.07034	2.1
132.02054	1.6
132.03404	1.2
132.95799	2.9
133.01602	1.7
133.03352	6.4
134.03517	3.4
135.03065	1.6
137.02867	1.5
138.03371	2.7
139.04201	1.7
140.10678	2.0
141.03049	1.6
142.04877	3.2
142.08551	6.4
143.01884	4.9
143.03404	2.7
144.03435	2.4
144.10178	2.9
144.95799	1.5
145.01552	2.4
145.03413	5.3
145.04944	2.9
145.23404	1.3
146.03542	2.2
146.99588	1.8
147.01405	1.5
147.03090	2.0
147.04984	2.4
148.03717	2.8
148.04820	5.1
149.02940	2.9
150.96928	2.4
151.04514	2.6
153.01875	1.7
153.03958	2.9
155.01823	3.0
156.02066	2.1
156.06439	2.8
156.10187	3.6
157.01595	1.3
157.03421	3.6
158.11723	5.0
159.05049	1.7
160.04831	1.5
160.09654	3.0
161.02864	8.2
162.03114	2.2
162.96912	2.8
163.02707	3.6
163.04353	2.5
164.03210	1.8
166.08649	2.2
169.03418	3.6
171.01381	1.7
171.05038	2.2
172.05147	1.9
173.02913	6.7
174.03065	5.3
174.04462	2.5
174.06017	4.1
174.07594	3.7
174.11227	5.0
174.96832	1.9
175.02751	1.6
175.04475	3.5
176.04291	2.1
182.03192	1.9
184.09659	20.8
185.02898	6.6
186.02895	1.3
186.06099	1.7
186.96881	5.2
187.04504	5.0
189.02414	1.5
189.06119	1.9
190.05997	3.8
191.03880	2.9
191.05629	1.5
192.05510	2.4
196.07236	1.7
197.01176	1.4
197.02916	2.9
197.04553	2.6
197.06503	1.6
199.04590	1.6
199.06271	2.2
200.04352	3.5
201.00777	1.4
201.06128	1.9
202.07137	3.5
202.10707	33.1
203.03946	4.1
204.14597	2.4
205.15883	3.6
208.04149	1.7
208.05971	2.1
217.05650	1.7
220.07411	8.5
220.11763	52.0
220.15234	2.0
220.17619	6.8
221.04880	3.4
234.99051	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	220.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25786	0.4
55.01866	1.2
55.05505	1.4
56.05033	0.6
56.96564	0.7
57.03435	0.6
57.07071	6.4
59.04987	5.1
60.75731	0.4
61.02924	0.7
67.05494	4.9
69.03423	0.9
69.07056	5.7
69.80219	0.6
69.80622	2.3
70.02950	5.5
71.01349	0.5
72.04507	12.4
72.08147	1.2
73.02903	3.6
74.02438	1.5
75.04533	0.5
79.05482	1.1
81.07052	1.6
83.04971	1.2
83.87534	0.4
84.04470	0.4
84.93554	0.4
85.02902	0.9
85.06530	9.5
86.06031	1.0
86.09689	1.4
87.04450	1.7
87.08111	2.2
90.05542	100.0
93.07029	0.6
95.01324	0.8
95.04955	6.4
96.08099	1.8
97.02883	1.0
98.02400	11.3
98.06045	3.6
98.58354	0.4
100.03957	2.5
103.03927	1.0
103.07568	7.1
104.04285	0.5
105.07020	1.0
111.08077	0.5
112.07603	0.9
113.05964	2.1
116.03432	15.5
120.08910	0.5
121.02903	0.6
121.06511	0.5
121.10163	0.5
124.07571	15.2
128.03450	0.5
128.04971	0.7
130.06520	1.9
131.07028	1.3
132.04448	1.0
133.10075	0.5
134.06015	0.8
140.10718	2.4
142.08623	6.1
146.05981	11.7
147.04407	0.5
156.10262	0.9
157.07581	0.6
158.05977	2.9
158.10431	0.8
158.11740	12.7
160.03238	1.7
160.09671	1.9
161.05991	1.0
162.05504	1.3
166.08614	1.8
174.07458	0.5
174.11241	1.7
175.07326	0.7
175.08661	5.8
177.12743	0.7
181.04945	0.5
184.09665	20.0
192.02866	3.1
202.10712	31.0
202.14371	1.3
204.06575	1.6
204.14662	3.7
205.15877	7.5
206.96719	0.6
220.02376	1.6
220.09923	1.6
220.11771	45.4
220.15428	2.7
220.17731	15.7
221.04578	0.6
221.09186	2.2
221.11989	0.6
228.03331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.174
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03926	1.8
55.05503	6.0
57.03404	1.4
57.07050	2.3
59.04974	1.4
65.03923	1.2
67.05492	9.6
69.03429	1.8
69.07053	8.9
70.90990	0.9
70.91319	1.3
71.04985	5.0
79.05480	8.9
80.37733	0.7
81.06579	1.1
81.07043	19.2
83.04960	3.0
83.08591	2.8
85.06512	2.8
87.05972	0.7
91.05462	16.5
93.06474	1.1
93.07032	19.2
95.04956	3.9
95.07968	1.2
95.08588	20.1
97.06489	4.2
99.08078	0.9
103.05437	7.8
105.04530	0.7
105.07011	25.4
107.04939	2.3
107.07851	1.1
107.08574	17.5
109.06478	4.8
109.10144	14.4
111.04393	1.4
111.08085	6.1
115.05429	29.3
116.06205	2.9
117.07000	17.5
118.04122	0.9
118.06545	1.5
119.04945	1.0
119.07690	0.8
119.08557	20.6
121.06467	2.9
121.10117	16.5
123.08022	3.1
123.11657	3.5
125.09584	3.3
128.06181	3.4
129.06995	18.0
130.07735	2.5
131.04903	9.0
131.08546	26.8
132.05733	4.7
133.06447	1.6
133.10104	19.9
135.08038	3.8
135.11665	11.1
137.05940	1.7
137.09616	6.4
137.13251	1.0
141.03326	2.5
141.06963	13.7
143.04913	9.2
143.08528	3.3
144.05699	7.7
144.09306	1.7
145.06470	7.8
145.10095	24.5
146.07166	1.6
147.08020	4.9
147.11676	7.6
148.05164	0.9
149.05954	1.4
149.09613	4.6
149.13206	3.0
151.11096	0.9
155.04774	0.8
155.08502	0.9
157.06479	6.6
157.10081	2.2
158.07254	8.7
159.04393	29.9
159.08034	12.2
159.11665	28.0
160.05177	37.4
160.06511	1.8
161.05801	2.6
161.09608	3.9
161.13231	10.1
163.07483	3.3
163.11118	5.2
163.14763	1.6
169.06453	5.5
170.07152	2.3
172.12421	0.9
173.05936	2.9
173.09564	2.1
173.13248	8.1
174.06744	25.8
175.07510	69.8
175.14813	4.8
176.04639	1.6
176.07976	2.1
176.14279	2.9
177.09091	1.3
177.12715	2.3
177.16362	1.9
183.17392	1.0
185.05873	0.9
186.06700	5.9
187.03874	18.6
187.07468	3.4
188.08289	1.5
189.09077	34.6
191.07025	4.7
191.10606	4.5
191.14323	1.7
191.17889	2.4
201.05290	15.1
201.09059	14.9
201.12715	2.0
201.16347	30.8
202.05750	1.1
203.14282	14.5
204.04044	0.8
204.07788	1.3
204.14894	1.1
205.04948	1.4
215.44058	1.0
219.02957	1.2
219.06613	13.5
219.08441	1.9
219.10109	70.7
219.13753	7.6
219.17397	100.0
219.20862	2.6
220.06688	1.1
220.10352	2.2
220.16891	13.7
228.06453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.174
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03933	2.1
54.23393	0.8
55.01889	0.9
55.05509	6.4
57.07048	2.4
65.82878	0.8
67.05493	8.0
69.07074	6.3
70.06577	2.0
70.95567	1.4
70.95915	1.4
71.04984	8.8
73.50697	1.0
79.05470	12.4
81.07045	21.2
83.04940	2.5
83.08604	3.0
88.07595	2.5
90.41587	0.8
91.05461	16.5
93.06473	1.0
93.07030	17.4
95.04955	2.8
95.08593	11.8
97.06526	6.7
97.10143	0.9
99.08036	1.1
103.05437	2.4
105.07014	46.9
106.08616	1.3
107.04919	1.0
107.08574	12.9
109.06502	1.7
109.10138	9.4
109.13895	0.9
111.08060	18.4
115.05411	2.1
117.06985	5.0
119.08573	13.6
121.06461	3.4
121.10123	14.6
123.08047	2.6
123.11662	3.0
125.09608	11.7
127.11137	1.1
128.06187	1.9
129.06987	4.7
130.07758	1.9
131.04993	1.1
131.08563	15.9
133.10114	72.5
135.08051	4.9
135.11659	6.0
137.09590	2.0
141.06966	3.2
143.08522	1.8
145.10104	15.9
147.11661	12.9
149.09573	3.1
149.13240	4.3
149.58154	0.8
155.46936	0.9
157.06487	2.1
157.10069	1.2
158.07268	2.5
159.04453	1.4
159.08031	3.3
159.11671	16.9
160.05156	1.0
161.09567	1.2
161.13211	8.4
163.11125	6.2
163.14853	2.0
173.13263	4.1
174.06772	8.2
175.07465	3.7
175.14812	3.2
177.12749	2.4
177.16292	1.0
186.06711	1.9
187.07570	1.1
189.09077	9.5
189.12753	5.2
191.14404	1.0
191.17867	2.4
201.09044	4.1
201.16365	15.9
201.20378	1.3
203.14240	5.7
204.15079	6.5
219.10141	16.3
219.13834	3.9
219.17409	100.0
219.21381	17.5
220.17712	2.5
222.58623	0.9
231.00917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1012
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03415	0.8
60.60362	0.5
67.05465	1.3
69.07048	0.9
69.62671	4.0
69.63068	0.7
81.07048	1.4
81.69263	0.6
89.88272	0.5
90.54971	0.6
91.05466	6.9
93.07014	1.1
95.08568	1.4
103.05448	1.7
105.07001	2.0
106.65218	0.8
107.08572	1.4
109.09447	0.6
115.05415	5.6
116.06252	2.7
117.06982	1.9
119.08572	1.5
121.10121	1.2
128.06201	5.8
129.06987	26.9
130.07712	1.8
131.04903	5.3
131.08543	28.9
133.06483	1.2
133.10080	1.9
135.11717	1.0
137.05977	3.1
141.06966	25.3
143.04900	1.5
143.08522	1.9
144.05705	3.6
145.06459	5.6
145.10065	1.8
146.07257	2.9
147.04323	0.6
147.08002	1.0
148.05101	1.0
155.06073	0.7
157.06464	15.2
158.07246	14.0
159.04379	2.2
159.08031	18.7
159.11644	1.2
160.05182	4.9
161.05853	0.9
161.09558	3.0
161.13171	0.9
162.06731	0.8
163.07607	1.4
168.05688	1.1
169.06454	10.6
169.07756	1.1
170.07239	4.3
171.04240	0.8
171.08002	0.9
173.05942	2.2
173.09570	1.9
173.13231	1.1
174.06741	53.2
175.07520	16.9
176.08133	0.6
177.09082	0.6
185.05904	1.2
186.06714	14.1
187.07510	1.6
188.08270	3.6
189.09077	71.2
190.09470	1.2
191.06947	0.8
191.10634	5.7
197.56453	0.6
198.05075	0.6
201.09070	27.2
201.16310	1.6
202.09430	1.2
203.14308	1.3
219.10127	100.0
219.17360	10.1
220.10435	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0648
Annotation	2,7-Dihydroxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
55.05498	3.9
57.07075	1.7
65.03934	0.6
67.05499	6.3
68.27526	0.6
69.03432	0.6
69.07056	5.1
71.04988	1.1
71.62878	0.8
77.69628	0.6
78.98708	0.5
79.05479	4.5
81.07050	10.5
83.04984	1.1
83.08603	2.1
91.05479	6.1
93.07037	8.4
95.04983	1.7
95.08594	10.7
95.09152	0.8
97.06528	1.6
97.10178	0.7
103.05444	5.8
104.06265	0.8
105.07018	9.0
107.04981	0.7
107.08576	10.8
109.06503	1.6
109.10138	9.2
110.49488	0.6
111.08095	1.9
115.05443	37.4
116.06235	1.7
117.07018	10.1
118.04148	1.7
119.08581	7.1
121.06509	1.4
121.10126	9.0
123.08018	1.1
123.11697	3.9
128.06209	2.7
129.06995	4.5
131.04900	7.3
131.08531	6.4
132.05717	5.7
133.10101	5.5
135.08057	2.3
135.11690	5.4
137.09576	1.1
137.13184	0.7
141.03326	2.1
141.07007	1.7
142.04108	0.9
143.04903	15.6
143.05968	1.1
143.08617	1.1
144.05690	10.7
145.06473	2.8
145.10094	4.9
146.07257	0.6
147.08041	3.4
147.11740	2.9
149.05959	1.4
149.09602	1.5
149.13232	2.8
155.05948	0.8
157.06488	1.8
157.10268	0.6
158.07260	1.3
159.04396	50.5
159.08020	2.4
159.11696	4.8
160.05180	57.1
161.05876	1.8
161.09659	1.1
161.13222	4.7
163.07559	1.1
163.11145	2.5
163.14787	3.8
169.06421	0.7
173.05995	1.3
173.09648	0.8
173.13239	2.8
174.06740	5.0
175.07524	100.0
175.14810	2.1
176.07901	2.2
177.08990	0.7
177.12752	1.3
177.16273	0.6
186.06776	1.1
187.03880	38.1
187.07454	1.5
187.11127	1.0
188.08270	0.7
189.09100	4.5
189.12569	0.7
191.07037	4.1
191.10620	1.2
191.17848	1.4
201.05344	29.9
201.09196	2.0
201.12695	0.9
201.16362	8.7
203.14291	11.1
204.15117	0.7
205.04982	3.1
219.06488	16.9
219.10063	16.1
219.13811	3.7
219.17412	60.0
219.21060	6.0
228.06511	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36369	0.5
55.01849	1.5
55.05497	2.3
56.96552	1.4
57.03422	0.8
57.07050	1.3
58.58107	0.4
59.04985	0.7
60.02103	0.6
61.02639	0.6
61.02918	7.4
67.05482	2.1
69.03399	2.1
69.07062	2.9
70.05667	1.1
70.06058	1.3
70.59957	0.4
71.00959	0.7
71.01345	14.1
72.08149	0.5
73.02893	0.6
73.06531	0.5
75.04472	22.9
77.20830	0.4
77.57858	0.5
79.05463	1.6
81.03398	1.0
81.07049	2.3
83.04955	2.1
83.08604	1.0
84.08099	0.6
84.99186	0.5
85.02874	1.7
85.06536	0.7
87.04453	7.5
89.02396	3.6
89.06007	0.7
90.05512	1.1
91.05463	2.1
93.07017	3.4
95.04915	1.1
95.08569	1.5
97.02860	1.3
97.06489	0.7
98.21416	0.8
98.97570	2.4
101.06030	1.0
103.03928	26.8
105.06980	3.3
107.08590	2.6
109.02789	0.6
109.06507	0.7
109.10184	0.7
111.04418	1.6
112.04800	0.5
113.04893	0.5
113.26559	0.4
116.98600	2.2
117.06966	0.8
119.05004	0.6
119.08579	4.8
121.06412	0.5
121.10130	5.2
123.08050	1.1
129.05478	0.6
129.06982	0.5
131.03391	6.3
131.04884	0.9
131.06010	0.4
131.08563	1.3
133.06418	0.7
133.10104	5.6
134.99622	2.2
135.08084	1.0
135.11671	2.0
137.05919	0.6
143.08488	0.6
145.10097	1.5
146.99637	0.7
147.04353	0.4
147.08005	1.0
147.11633	1.7
149.05934	0.6
149.88165	0.5
155.07027	1.1
156.72969	0.5
157.07590	2.6
157.10115	0.8
159.02873	48.9
159.07956	0.9
159.11650	1.2
161.04518	1.1
161.09564	1.7
161.13274	3.2
163.03979	0.6
169.04376	0.8
170.10934	0.9
172.95261	0.6
173.06017	0.9
173.09602	1.3
173.13162	0.6
174.08549	0.6
175.08650	2.3
175.14819	1.4
185.13277	1.1
187.02354	3.3
187.04041	0.8
187.11125	1.0
188.11877	1.1
190.96349	0.5
191.07042	0.6
192.02936	2.2
199.02623	0.5
201.12749	0.5
201.16315	0.8
203.14296	25.9
219.04947	5.7
219.06848	2.4
219.10080	1.4
219.11345	1.7
219.17409	100.0
220.02335	1.2
220.11606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1948
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
52.91692	0.5
53.84254	0.6
55.05503	6.8
56.05019	1.2
56.52491	0.7
67.05487	5.4
68.05002	0.7
69.04535	0.8
69.07059	7.6
71.62769	1.2
73.02914	0.8
79.05456	1.8
81.04520	1.4
81.07043	11.7
82.05190	0.5
83.04964	7.6
83.06066	0.7
83.08612	2.8
87.04402	0.6
89.02367	1.0
89.06001	2.3
91.05467	2.9
93.04501	1.0
93.07034	6.9
95.06075	1.3
95.08591	34.1
96.08908	0.7
97.10117	0.7
98.07144	0.8
99.90254	0.5
101.05982	3.9
105.07011	13.0
107.06071	0.7
107.08581	16.7
108.05563	0.9
109.07572	0.7
109.10139	23.5
110.07129	2.3
111.04422	12.9
111.06684	0.6
111.07943	0.8
111.11697	1.3
112.08694	0.6
113.05948	1.1
119.08560	12.2
120.05509	0.8
121.10128	17.5
122.07127	1.5
123.08064	0.6
123.11696	9.6
127.07561	0.9
129.05482	5.0
131.08636	0.6
133.07574	1.1
133.10101	8.4
134.07112	2.7
135.06616	2.4
135.11694	4.4
136.07402	0.9
136.08641	0.7
137.08202	1.3
137.13144	1.2
147.06534	0.7
147.11676	16.2
148.08617	1.0
149.08191	2.5
149.13219	2.0
151.04829	0.6
151.06056	0.7
155.07001	16.0
159.06677	0.9
159.11671	0.7
161.13229	28.2
162.13757	0.9
173.08084	14.8
174.10133	0.5
175.09781	3.1
175.14830	4.4
176.09293	2.5
176.11777	0.9
177.10036	1.5
189.16376	3.5
190.10869	0.9
199.09555	1.4
200.09406	0.9
217.08485	0.5
217.10323	10.1
217.12289	3.4
217.19479	100.0
218.10106	0.7
218.13998	1.8
218.19768	2.9
235.03893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17826	15.5
53.13993	18.1
69.74020	100.0
69.74432	22.3
72.46306	14.7
98.21465	34.0
121.01656	28.5
128.24072	14.6
196.04585	17.8
219.02583	82.1
219.07100	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0856
Annotation	2-(6-methoxynaphthalen-2-yl)acetic acid
Peak:m/z	Relative Intensity
50.01600	0.7
50.56990	0.6
55.01873	6.0
55.05505	11.3
58.50250	0.7
59.04985	1.0
59.63216	0.7
65.03925	0.8
67.05486	1.9
69.03424	1.8
69.07046	1.1
70.98927	0.8
70.99284	1.5
79.05473	4.1
81.07034	4.8
81.08774	0.7
83.04968	20.0
85.06537	0.8
87.04445	2.2
89.02374	2.4
89.06019	5.5
91.05486	3.3
91.72874	0.7
93.07034	2.5
93.94703	0.7
95.04965	1.6
95.08612	1.1
99.04443	1.2
101.06010	9.1
103.05461	1.1
105.07032	3.8
107.08586	2.0
109.06507	1.1
109.10106	1.0
111.04430	25.3
113.05986	2.5
115.05424	6.0
116.06246	1.3
117.07003	2.6
118.07751	0.8
119.08579	3.2
121.06484	3.5
121.10141	1.7
123.08025	1.0
127.05445	0.9
127.07565	3.7
128.06206	30.0
129.05565	5.8
129.06987	54.8
131.04909	4.7
131.08545	4.2
132.05728	1.0
133.10121	2.1
135.11691	0.7
137.05954	1.5
139.05406	9.6
141.07002	3.9
142.07668	1.0
143.04892	2.4
143.08540	10.5
144.05719	1.6
145.06482	7.7
145.10110	1.1
146.07259	3.7
147.04283	1.3
147.08038	1.0
147.11719	1.2
151.03932	0.7
152.06207	1.4
153.06953	1.7
153.67424	0.8
155.05051	1.3
155.07024	33.3
156.05679	11.7
157.06473	64.5
157.10075	2.6
158.07173	2.5
159.04346	3.5
159.08003	1.2
159.11707	1.1
160.05174	7.2
161.05957	4.1
161.09636	4.1
161.13245	1.0
167.04895	9.3
168.05685	3.1
169.06502	1.7
171.08043	23.6
171.11694	2.2
173.05991	6.1
173.08076	26.7
173.13316	0.9
174.06749	31.5
175.07524	22.7
175.11151	1.8
184.05185	9.2
185.05957	26.4
186.06699	1.5
187.07484	3.5
188.08304	2.7
189.05501	1.7
189.09082	55.9
189.16452	1.2
199.07526	56.4
199.09583	3.6
199.14825	1.6
200.07919	0.9
202.06226	5.4
217.05093	2.9
217.08592	100.0
217.10666	22.7
217.12321	5.9
217.15692	6.5
217.19519	1.7
218.08957	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0856
Annotation	2-(6-methoxynaphthalen-2-yl)acetic acid
Peak:m/z	Relative Intensity
52.97940	0.6
53.62154	0.7
53.74409	0.7
55.01863	7.6
55.05261	1.2
55.05503	15.2
57.03405	0.7
59.04984	1.2
61.84723	0.7
62.43104	0.8
65.58640	0.7
67.05483	2.7
69.03416	1.2
69.07054	1.5
71.62672	1.1
73.02886	1.4
79.05460	2.4
81.07051	4.5
83.04472	1.4
83.04968	25.3
83.08601	1.3
85.06527	2.1
87.04450	1.9
89.02364	2.8
89.06010	5.9
91.05451	3.3
92.50591	0.7
93.07016	2.2
95.04984	1.2
95.08565	2.4
97.06487	1.2
99.04432	2.3
101.06001	11.6
103.05468	2.1
105.07017	4.8
107.04929	1.0
107.08538	2.0
108.57627	0.6
109.06487	1.6
109.10133	0.9
111.04427	36.1
111.08046	1.7
113.05997	3.8
115.05423	6.0
117.06996	2.2
119.08558	3.5
121.06521	3.7
121.10121	2.1
123.08034	0.8
127.07543	4.4
128.05237	1.6
128.06197	31.5
129.05537	10.1
129.06984	60.7
131.04921	5.4
131.08542	4.0
133.06444	1.5
133.10120	1.8
135.04324	0.9
135.11627	1.3
137.05956	1.6
139.05415	9.2
141.06979	5.6
142.07732	2.0
143.04887	3.0
143.08530	12.1
144.05698	2.1
145.06447	8.6
145.10075	1.2
146.03595	1.0
146.07216	3.8
147.06914	0.7
147.08034	2.5
147.11626	1.3
152.27260	0.9
153.06955	1.4
155.07016	40.2
156.05666	13.0
157.06468	72.7
157.10078	2.7
158.07109	2.6
159.04372	4.8
159.07941	1.4
160.05190	5.1
161.05962	4.0
161.09634	4.6
161.13283	1.2
167.04904	8.9
168.05638	2.9
169.06424	1.9
171.08034	22.5
171.11694	1.6
173.05969	6.6
173.08072	34.8
173.13177	1.5
174.06743	31.9
175.07523	22.6
175.11168	2.0
184.05162	9.3
185.05956	29.4
186.06650	2.2
187.07503	2.7
188.08293	3.3
189.09085	55.9
189.16400	1.7
197.66356	0.7
199.07524	59.9
199.09547	4.0
199.11201	2.2
199.14778	2.3
200.04074	0.7
200.07867	1.1
202.02611	0.9
202.06195	6.0
217.05022	2.7
217.08553	100.0
217.10658	31.0
217.12157	3.9
217.15692	6.3
217.19437	2.3
218.08875	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
55.05505	4.0
56.96574	0.5
57.03436	2.8
58.99870	1.2
59.04985	0.6
67.05499	0.5
69.03423	5.1
69.54006	2.7
73.02925	1.3
77.00890	0.9
80.02963	0.4
82.99861	1.3
83.04975	9.1
85.01402	2.1
85.02892	0.5
85.06535	0.6
87.04461	0.8
89.06013	2.1
94.02638	0.6
97.02879	0.5
98.15929	0.4
99.03745	0.6
99.04372	0.4
100.02599	0.6
101.00867	19.1
101.05998	2.2
102.00955	0.7
103.02435	14.5
103.03122	0.8
104.02573	0.5
105.01889	0.8
106.02651	0.6
107.03388	0.6
111.04427	12.2
112.03714	0.4
112.04479	0.6
113.00876	1.3
113.03412	2.3
113.05965	0.8
114.77223	0.4
115.02404	0.6
116.98627	0.4
118.02646	1.7
118.22373	0.4
119.01907	100.0
120.01963	2.5
121.01625	0.8
121.03469	9.5
126.01724	0.9
126.04140	1.1
127.02315	3.1
127.03233	2.4
127.07503	0.8
127.53236	1.1
128.03951	0.6
129.00293	1.0
129.05473	2.7
131.01891	12.4
131.02817	0.6
131.03409	1.0
131.47305	0.4
133.03444	0.7
136.03673	2.9
136.53844	0.6
137.02937	30.9
137.70918	0.4
138.02814	0.7
140.03888	1.3
140.97932	0.5
142.03461	2.5
143.00128	0.6
143.01889	1.0
144.02684	0.7
144.05049	0.7
145.03435	69.6
145.54192	0.4
146.03577	1.4
147.01375	5.6
148.01366	0.5
149.02946	5.7
149.04436	1.8
153.00319	0.5
154.03416	0.4
154.04715	1.7
155.01895	1.1
155.07011	11.1
157.01558	0.5
158.05023	2.7
158.54990	1.0
159.05113	0.7
160.04536	0.8
161.00316	0.7
161.02936	1.2
163.04514	41.9
164.04623	1.2
165.02473	0.7
167.02185	0.5
167.05472	4.0
167.55588	0.7
168.05061	2.6
169.03459	4.2
170.03600	0.7
170.99161	2.2
171.01343	4.7
171.03156	1.5
172.02208	0.5
172.85953	0.4
173.02966	6.8
173.08063	10.3
173.09491	0.9
174.98508	0.9
175.00844	1.4
175.03674	0.9
176.06018	4.7
176.56172	1.0
179.99051	0.5
181.03647	0.5
184.55876	1.1
185.06570	26.0
185.56657	5.2
186.06177	1.0
187.04544	3.3
187.56865	0.4
188.04617	0.6
189.00116	1.7
189.02428	35.2
190.02664	1.2
191.04022	4.2
193.01939	3.2
193.04669	0.7
194.00539	1.7
194.03072	0.8
194.07127	3.4
194.56995	0.5
196.57333	2.0
198.98508	0.4
199.00812	1.9
199.04500	0.7
199.09663	1.2
201.00949	0.5
205.05540	2.0
207.03482	19.6
208.03577	0.6
212.01633	1.9
212.03983	1.8
215.44157	0.5
217.01907	11.1
217.05312	0.5
217.08640	0.6
217.10686	9.7
223.06584	0.6
224.06912	0.5
235.02971	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	217.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
55.05505	4.0
56.96574	0.5
57.03436	2.8
58.99870	1.2
59.04985	0.6
67.05499	0.5
69.03423	5.1
69.54006	2.7
73.02925	1.3
77.00890	0.9
80.02963	0.4
82.99861	1.3
83.04975	9.1
85.01402	2.1
85.02892	0.5
85.06535	0.6
87.04461	0.8
89.06013	2.1
94.02638	0.6
97.02879	0.5
98.15929	0.4
99.03745	0.6
99.04372	0.4
100.02599	0.6
101.00867	19.1
101.05998	2.2
102.00955	0.7
103.02435	14.5
103.03122	0.8
104.02573	0.5
105.01889	0.8
106.02651	0.6
107.03388	0.6
111.04427	12.2
112.03714	0.4
112.04479	0.6
113.00876	1.3
113.03412	2.3
113.05965	0.8
114.77223	0.4
115.02404	0.6
116.98627	0.4
118.02646	1.7
118.22373	0.4
119.01907	100.0
120.01963	2.5
121.01625	0.8
121.03469	9.5
126.01724	0.9
126.04140	1.1
127.02315	3.1
127.03233	2.4
127.07503	0.8
127.53236	1.1
128.03951	0.6
129.00293	1.0
129.05473	2.7
131.01891	12.4
131.02817	0.6
131.03409	1.0
131.47305	0.4
133.03444	0.7
136.03673	2.9
136.53844	0.6
137.02937	30.9
137.70918	0.4
138.02814	0.7
140.03888	1.3
140.97932	0.5
142.03461	2.5
143.00128	0.6
143.01889	1.0
144.02684	0.7
144.05049	0.7
145.03435	69.6
145.54192	0.4
146.03577	1.4
147.01375	5.6
148.01366	0.5
149.02946	5.7
149.04436	1.8
153.00319	0.5
154.03416	0.4
154.04715	1.7
155.01895	1.1
155.07011	11.1
157.01558	0.5
158.05023	2.7
158.54990	1.0
159.05113	0.7
160.04536	0.8
161.00316	0.7
161.02936	1.2
163.04514	41.9
164.04623	1.2
165.02473	0.7
167.02185	0.5
167.05472	4.0
167.55588	0.7
168.05061	2.6
169.03459	4.2
170.03600	0.7
170.99161	2.2
171.01343	4.7
171.03156	1.5
172.02208	0.5
172.85953	0.4
173.02966	6.8
173.08063	10.3
173.09491	0.9
174.98508	0.9
175.00844	1.4
175.03674	0.9
176.06018	4.7
176.56172	1.0
179.99051	0.5
181.03647	0.5
184.55876	1.1
185.06570	26.0
185.56657	5.2
186.06177	1.0
187.04544	3.3
187.56865	0.4
188.04617	0.6
189.00116	1.7
189.02428	35.2
190.02664	1.2
191.04022	4.2
193.01939	3.2
193.04669	0.7
194.00539	1.7
194.03072	0.8
194.07127	3.4
194.56995	0.5
196.57333	2.0
198.98508	0.4
199.00812	1.9
199.04500	0.7
199.09663	1.2
201.00949	0.5
205.05540	2.0
207.03482	19.6
208.03577	0.6
212.01633	1.9
212.03983	1.8
215.44157	0.5
217.01907	11.1
217.05312	0.5
217.08640	0.6
217.10686	9.7
223.06584	0.6
224.06912	0.5
235.02971	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	215.1638
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
55.01852	2.3
55.05502	24.7
57.03403	4.3
57.07049	2.0
59.04949	1.4
64.05523	1.3
67.05167	2.1
67.05495	33.4
69.03406	1.5
69.06720	1.9
69.07056	23.1
70.81662	4.3
71.04977	14.8
74.09695	3.3
79.05470	14.3
81.07043	72.4
83.04958	3.7
83.08601	17.3
85.06526	20.6
87.96594	1.5
91.05475	20.5
93.06475	1.6
93.07030	23.7
95.04955	3.6
95.08589	100.0
97.06511	22.5
97.10154	10.8
98.98433	4.7
99.08082	11.0
99.17757	1.4
101.05977	2.0
105.07014	27.5
106.29537	1.5
107.08578	12.2
109.06480	5.2
109.10123	8.8
111.08058	4.5
113.09604	2.2
117.06992	2.7
117.70345	1.5
119.08557	35.3
121.10129	11.7
123.08038	8.5
131.08543	6.0
132.95787	2.3
133.10104	24.5
135.11667	22.8
137.09589	3.5
137.13225	16.9
139.01575	7.3
141.09032	2.0
145.10101	4.1
150.96886	4.7
156.94720	1.5
159.11655	8.1
160.03473	1.4
161.13235	83.4
162.03363	2.8
173.09612	3.0
179.14284	44.3
187.07480	4.2
187.11143	2.5
191.97023	1.6
197.15294	21.3
215.06943	6.6
215.10631	4.1
215.14404	8.6
215.17935	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	214.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35921	0.7
53.03934	1.7
55.01858	1.8
55.05503	4.3
56.96556	50.6
57.03428	3.9
58.99839	0.8
60.04490	0.7
61.02912	5.5
62.10310	0.7
65.03937	0.7
69.03419	4.9
69.07059	1.6
70.06579	1.1
70.98103	0.8
71.04988	1.3
71.31414	0.8
71.31767	0.8
72.08147	0.7
72.93758	1.0
73.02898	4.4
73.06541	3.6
74.06071	0.7
74.97591	1.5
79.05486	1.2
81.03394	1.5
82.99846	1.6
83.04974	1.9
84.96011	3.8
85.02892	8.6
86.09207	0.9
86.09695	10.0
90.94799	1.4
91.05462	1.4
94.52786	0.6
95.02602	0.7
95.04947	2.2
96.99542	1.7
97.02869	6.9
97.06508	1.5
98.06035	0.9
98.97568	9.1
99.04438	1.3
100.02471	2.2
100.99136	9.6
101.00867	13.0
102.00928	0.7
102.96864	1.5
103.00623	1.0
103.02442	1.2
103.05432	0.7
105.07006	0.9
105.52583	0.7
105.59896	0.7
107.04939	3.5
109.02873	1.4
110.01303	0.7
110.97568	4.7
111.04429	1.1
111.05558	0.7
112.07588	1.9
113.00835	1.4
113.10762	1.3
113.98634	0.8
115.02401	1.1
115.72233	0.7
116.98616	5.7
117.02180	0.8
117.03992	1.0
118.03501	2.8
119.00180	6.9
119.01907	75.5
120.01920	3.3
120.03323	1.1
121.01636	2.9
121.02847	1.5
121.06493	1.8
122.05939	0.8
123.04416	0.7
125.20145	0.6
126.97008	1.0
127.03902	2.9
128.98593	8.7
129.03923	1.2
131.00151	1.1
131.01891	7.0
131.03600	0.7
131.05580	4.0
131.96120	1.6
131.97420	1.7
131.99669	3.3
132.05032	1.5
132.57266	0.7
132.95818	2.7
133.01630	0.9
133.03476	4.8
134.02914	0.8
134.99638	4.2
136.04565	1.4
136.07607	0.9
137.01222	1.5
137.02936	27.7
137.05911	3.3
138.03009	1.3
139.01520	0.8
141.03995	1.2
142.03494	2.3
143.00185	1.4
143.01860	3.2
144.98080	3.7
145.01639	1.0
145.03438	6.9
146.99634	11.2
147.03154	1.6
147.05144	1.1
149.01143	1.3
149.02922	2.5
149.06705	4.7
149.96080	0.8
149.97183	2.6
149.98378	0.8
150.00703	1.6
150.05508	1.2
150.96837	7.7
151.02472	1.0
153.00661	1.3
153.01808	5.8
154.03421	1.0
155.01686	0.7
155.05537	1.3
156.05054	2.9
158.99657	0.9
160.04546	2.2
161.01588	0.9
161.02907	6.4
161.06593	1.3
162.99127	7.4
163.02696	2.4
163.04424	2.6
165.00681	7.2
167.03654	0.8
167.98277	1.2
168.05052	1.4
169.03401	4.4
170.05164	1.8
171.05040	0.9
172.01563	0.8
172.04544	2.2
172.95332	1.1
172.97591	2.4
172.98892	1.3
173.01180	2.1
173.02876	4.1
173.06575	52.8
173.98459	1.1
174.06511	0.8
175.02776	0.9
175.04460	1.5
177.00731	1.3
178.08659	1.0
179.05638	0.9
181.00128	1.8
181.04965	0.8
183.01779	3.7
184.04784	0.9
185.02971	1.5
186.06116	1.1
186.09756	6.6
187.02774	0.9
187.04506	2.1
189.04233	0.8
189.06003	0.8
190.02570	0.7
190.05605	2.2
190.07375	1.0
190.54729	1.4
190.98553	8.9
190.99837	1.0
191.02200	3.2
191.03976	5.0
191.07622	100.0
191.97139	3.3
192.05048	1.1
192.07825	3.0
193.00087	0.7
193.01775	0.9
193.54497	0.9
196.08173	1.5
197.06494	1.6
202.04810	0.9
202.54942	0.9
203.02275	0.7
203.03984	1.4
204.10793	4.2
205.03709	0.9
205.05412	0.8
208.97704	1.4
208.99660	16.5
209.98154	2.1
210.00031	0.9
214.03841	1.2
214.05505	4.3
214.09106	7.3
214.10744	1.0
214.14317	1.0
215.03902	1.1
215.07544	3.4
221.05080	1.2
227.00696	2.4
232.01280	0.9
232.06552	2.0
232.08559	1.0
232.10318	10.9
233.08670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.7
55.05502	41.1
57.00283	1.7
57.03423	3.6
57.07069	10.4
59.04976	3.6
67.05497	21.4
69.03403	2.7
69.07059	93.0
69.97363	10.0
71.04981	16.3
77.03870	2.0
79.05480	18.8
81.07042	62.1
83.04948	7.0
83.08607	20.4
85.06529	42.3
87.04448	1.6
91.05457	7.5
91.75128	1.5
93.07030	31.6
95.04961	3.8
95.08590	87.8
96.08865	1.8
97.06512	9.2
97.10157	21.9
99.08080	32.5
103.05446	7.2
105.06992	9.9
106.94576	1.7
107.04940	37.7
107.07853	3.0
107.08577	51.8
109.06514	2.7
109.10137	32.3
111.04472	1.9
111.08034	7.5
111.11699	13.2
113.09618	14.1
115.05431	2.1
119.08565	2.2
121.10126	72.1
121.11021	3.5
123.04422	4.8
123.08058	2.1
123.11701	13.5
125.05984	2.3
125.09604	14.1
125.13216	2.7
127.11160	2.1
128.06209	1.6
131.08496	1.9
135.08046	11.1
135.11668	40.5
137.13234	39.5
139.11174	19.8
142.07793	2.0
143.08505	2.4
147.89140	1.7
149.13232	10.8
151.03917	3.5
151.14771	8.4
152.04626	2.6
153.01721	1.7
153.12721	11.3
154.06203	2.1
157.10126	3.9
163.07501	23.5
167.07018	83.1
168.07358	3.8
169.07750	2.1
171.11612	3.3
177.16362	100.0
178.16675	2.8
180.07779	1.6
181.07582	4.7
181.95679	1.7
182.36067	1.7
185.05852	1.9
195.06494	6.9
195.10176	17.8
195.13762	3.3
195.15741	3.0
195.17406	27.2
201.73666	1.5
213.05435	4.6
213.09138	4.8
213.11070	4.0
213.12862	2.6
213.16347	7.0
213.18451	11.5
214.17986	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1846
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01871	2.5
55.05501	8.1
57.07075	2.5
67.05502	4.4
69.03426	1.1
69.07059	16.0
69.49207	4.6
70.94161	0.7
71.04979	3.5
71.57940	0.7
73.44986	0.7
79.05483	4.0
81.07051	15.3
81.07510	1.1
83.08604	8.8
85.06519	4.4
91.05492	1.9
93.07027	12.3
95.08593	33.1
97.06507	0.8
97.10153	8.8
99.08079	28.3
105.07032	2.7
107.04958	1.3
107.07851	1.5
107.08582	31.9
109.10144	8.4
111.08063	13.9
113.09657	3.1
119.08575	1.1
121.10129	55.4
121.75645	0.6
123.11671	1.8
125.09619	4.5
125.13277	1.0
127.76847	0.6
134.70059	0.6
135.08026	0.8
135.11688	11.3
137.13245	10.0
139.11174	2.1
145.90552	0.6
149.13239	4.0
153.12732	0.7
163.07588	1.0
167.07054	3.3
177.16362	100.0
178.16721	1.3
188.47086	0.6
195.06573	0.9
195.17424	18.0
213.16388	1.3
213.18456	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	213.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	2.3
55.05508	7.9
57.07052	2.3
67.05484	3.3
69.03419	1.3
69.07061	13.4
70.90558	2.1
70.90911	0.7
71.04979	3.7
73.59449	0.7
73.70397	0.7
79.05495	3.9
81.07047	15.4
83.08611	8.5
85.06546	3.8
91.05460	2.2
92.41934	0.8
93.07030	10.8
95.04953	1.0
95.08594	32.7
97.06508	0.7
97.10157	7.8
99.08083	31.7
103.05419	1.3
105.07020	3.5
106.02469	0.7
107.04940	7.2
107.08578	31.2
109.06535	1.0
109.10145	7.8
111.07354	1.3
111.08070	15.9
111.11689	1.0
113.09600	3.3
121.10129	54.3
123.04402	0.8
123.11660	1.7
124.05196	0.7
125.09617	5.0
125.13233	1.3
133.62076	0.6
135.08038	1.3
135.11676	9.6
137.13234	7.9
139.11185	1.2
149.13251	4.2
151.03987	0.7
163.07506	3.3
167.07024	15.4
177.16364	100.0
178.16745	2.2
195.06549	1.2
195.10117	3.1
195.15674	0.5
195.17413	16.8
213.11172	1.0
213.16423	1.3
213.18460	20.4
213.20406	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1846
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
51.51213	0.7
53.03936	1.1
53.16825	0.7
55.01844	3.0
55.05500	9.7
57.03420	1.0
57.07049	2.5
61.29563	0.7
64.18352	0.6
65.90045	0.7
67.05494	5.3
69.03402	1.5
69.06670	0.9
69.07056	17.0
70.66161	2.6
71.04986	6.1
79.05487	5.3
81.07048	19.6
83.04963	0.9
83.08607	10.8
85.06536	4.1
91.05457	2.5
93.07031	13.6
95.04936	0.8
95.08592	33.3
97.06516	0.8
97.10146	7.2
99.08076	36.9
99.23035	0.8
103.05444	1.7
105.07014	3.9
107.04939	6.9
107.08578	33.9
109.06503	0.8
109.10143	15.4
111.08067	14.9
111.11678	0.7
113.09623	3.4
115.05466	1.2
119.08592	0.8
121.10125	63.9
123.04377	1.3
123.11679	2.1
125.09596	6.0
135.08009	2.7
135.11664	12.7
137.13239	9.4
139.11171	2.6
149.13214	4.9
153.12671	1.2
155.00949	0.7
163.07539	3.9
164.05632	0.8
167.07019	17.1
175.50896	0.7
177.16360	100.0
178.16632	2.3
185.07162	0.9
195.06517	1.1
195.10167	2.6
195.17415	20.1
213.11124	1.2
213.16403	1.3
213.18452	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	213.1846
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03938	1.2
55.01854	3.4
55.05503	12.0
57.03424	1.8
57.07071	3.6
65.03922	1.5
67.05486	6.6
69.03431	3.7
69.07058	16.8
69.41466	6.1
69.41889	1.6
71.04983	4.4
73.02906	0.9
79.05139	0.7
79.05482	8.7
81.03415	1.4
81.07044	19.1
83.04958	1.7
83.08607	9.6
85.02871	1.0
85.06525	6.4
89.19573	0.7
91.05479	5.7
93.06159	0.8
93.07034	16.6
94.06568	1.1
95.04941	2.9
95.06844	0.9
95.08598	33.4
97.06503	2.3
97.10160	9.5
99.04427	1.4
99.08081	25.0
103.05421	1.3
105.07019	7.6
107.04942	11.5
107.08579	35.5
109.02873	0.9
109.06499	1.7
109.10129	11.5
111.04407	1.4
111.08064	13.4
113.09619	3.3
116.98587	0.8
117.06994	1.1
119.01889	2.1
119.06052	2.0
119.08579	6.9
120.06397	1.6
121.02885	0.9
121.06470	1.3
121.10127	57.8
123.04430	1.3
123.08070	1.8
123.11693	3.2
124.07570	1.6
125.05979	2.4
125.09612	8.7
127.07538	0.7
131.04959	1.0
131.08548	3.2
133.10129	1.2
135.04416	1.1
135.08067	4.4
135.11674	12.7
137.05949	1.4
137.09564	2.2
137.13219	8.8
138.09128	1.2
139.11128	3.2
143.01846	1.5
147.08049	1.7
148.97331	0.9
149.05957	0.7
149.09596	2.5
149.13240	4.7
150.12723	1.0
151.03879	3.3
151.07610	0.9
152.04556	1.0
153.01808	2.6
153.05443	1.9
153.09097	0.8
153.12753	0.8
161.02945	0.9
163.07510	6.5
165.05496	1.1
165.09119	1.9
167.03380	1.8
167.07033	19.6
167.08424	0.8
167.10623	1.6
177.09109	5.6
177.12903	2.2
177.16362	100.0
178.16747	2.0
180.04211	0.7
185.07083	0.8
195.06482	11.2
195.10202	6.7
195.13791	1.6
195.17429	15.8
196.09410	1.1
213.07068	1.6
213.09099	2.2
213.11325	6.2
213.14868	1.6
213.16582	1.1
213.18456	11.6
214.14340	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01375	0.7
54.50683	0.6
55.01852	2.0
55.05504	8.4
57.07052	1.9
59.20977	0.6
67.05509	4.6
69.03412	1.7
69.07057	14.8
69.14013	0.6
69.35146	6.3
69.35545	1.0
71.04996	3.4
73.76458	0.6
79.05475	5.7
81.07053	16.3
83.04980	0.8
83.08612	8.4
85.06525	4.4
91.05469	2.4
93.07031	12.1
95.04932	1.2
95.08601	30.3
97.10154	7.8
99.08087	29.3
99.08740	1.5
103.26914	0.7
105.07018	3.2
107.04951	7.3
107.08586	30.8
109.10144	8.5
111.04303	0.9
111.08075	13.0
111.11742	0.8
113.09627	3.2
119.08572	1.3
121.10131	53.2
123.04389	0.8
123.08093	0.8
123.11682	2.1
125.09634	3.9
125.13307	1.4
135.08073	1.9
135.11682	11.0
137.13255	8.6
139.11159	1.8
149.13239	4.0
151.03865	1.2
153.01738	0.8
163.07533	3.9
163.08722	0.8
167.07031	12.5
177.16373	100.0
178.16763	1.2
195.06479	1.3
195.10107	2.3
195.17426	16.4
213.09294	0.7
213.11116	0.9
213.12965	0.9
213.16400	1.4
213.18463	18.6
214.18814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1846
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03930	1.3
55.01863	3.3
55.05503	42.3
57.03430	3.0
57.07072	9.5
59.04990	7.3
67.05492	16.4
69.03426	1.4
69.07056	91.4
69.27347	13.0
70.07403	1.1
71.04979	15.9
71.08637	1.2
73.06502	1.4
79.05482	11.2
81.07043	56.1
83.04969	7.1
83.08607	20.1
85.06528	40.3
88.66961	1.2
91.05475	4.2
93.07032	28.1
95.08592	83.6
97.06509	6.9
97.10153	21.0
98.20727	2.7
99.08080	28.1
99.08739	1.5
103.05469	1.5
105.07018	4.4
107.04939	11.1
107.08578	54.2
109.06541	1.6
109.10143	26.3
111.04433	1.3
111.08065	5.1
111.11707	12.7
113.09631	14.1
119.08556	2.4
120.05688	1.2
121.10122	69.6
123.08059	1.5
123.11695	14.1
125.09618	10.9
125.13248	1.6
127.11217	1.5
131.04916	1.1
135.08008	3.0
135.11668	35.2
137.13229	37.7
139.11153	15.7
139.12178	1.2
140.11955	1.4
149.13239	10.3
151.14827	6.4
153.01823	5.3
153.12720	11.5
157.10129	2.3
163.07523	5.7
167.07016	16.1
169.07559	2.2
171.11661	1.5
177.16359	100.0
195.06522	4.6
195.10149	4.2
195.17401	25.0
195.19041	1.5
213.09113	1.7
213.12840	1.8
213.16409	4.8
213.18483	18.3
216.87907	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1482
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.16257	1.5
52.97936	1.5
53.03928	2.3
55.01859	4.5
55.05499	18.1
57.03432	14.4
57.07050	5.1
60.52536	1.5
62.72660	1.8
65.03916	3.0
67.05493	76.7
69.07057	30.0
70.74537	4.7
71.04974	9.9
71.08620	2.7
77.03902	1.5
79.05482	37.8
81.03374	2.7
81.07043	100.0
83.04964	11.6
83.08611	18.9
85.06554	8.1
85.06999	1.4
88.07601	3.5
89.54422	1.4
91.05463	21.8
93.07027	75.0
95.04951	8.5
95.08598	31.3
97.06515	14.9
97.10160	3.4
99.08066	12.9
105.07010	12.6
107.04952	12.6
107.08576	46.3
109.06512	5.2
109.10148	7.1
111.04533	1.7
111.08064	15.3
113.05995	2.3
117.07021	9.0
119.08559	5.8
121.06519	1.7
121.10123	37.3
123.11663	2.2
125.05978	1.9
125.09619	3.2
129.06973	2.4
131.08551	12.1
133.10106	9.4
135.08047	6.0
135.11681	19.8
137.13159	3.2
139.11143	2.7
141.07053	1.6
143.08525	4.8
147.11664	2.6
149.09552	3.1
149.13235	66.9
151.03860	2.7
153.05435	1.9
157.10101	5.7
159.11674	22.9
163.07501	4.7
167.07021	24.9
170.03595	5.5
171.11671	3.7
177.09016	2.4
177.12724	14.5
177.16351	26.3
195.06502	28.8
195.10089	5.2
195.13840	13.7
195.17458	5.8
198.05176	1.7
213.05406	24.0
213.07185	2.7
213.09143	3.4
213.11050	3.0
213.12747	6.1
213.16353	17.0
213.18507	5.9
214.05640	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1482
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03931	0.9
55.01613	0.8
55.01863	9.4
55.05504	41.8
55.65477	0.5
57.03410	2.1
57.07048	1.8
59.04971	1.5
59.05245	0.6
66.33989	0.5
67.05496	18.8
67.63367	0.6
69.03417	5.6
69.06714	0.8
69.07054	10.9
70.06554	0.8
71.04984	46.6
71.62830	0.6
73.02900	0.5
78.04675	1.1
79.05480	17.4
81.03436	0.7
81.06575	1.0
81.07047	22.2
83.04977	3.9
83.08607	31.4
85.02871	0.7
85.06528	6.7
87.04459	7.4
88.07590	1.0
91.05465	5.9
93.07034	14.4
95.04943	2.3
95.08595	12.1
97.06518	64.3
97.10159	38.5
98.06860	0.7
98.10490	0.9
99.08058	1.2
101.09622	1.1
103.05459	3.9
105.07022	5.9
106.04176	0.6
107.04943	28.8
107.08582	17.7
108.05272	0.7
109.06489	2.0
109.10140	15.6
111.04433	0.9
111.08083	3.6
115.05397	1.5
117.06997	3.6
119.08559	2.5
120.05693	0.6
121.06476	2.9
121.10130	7.6
123.04422	2.6
123.08043	0.8
123.11671	2.0
124.05198	1.6
125.05977	1.8
125.09618	25.2
129.07005	1.2
131.04880	0.6
131.08574	3.9
133.10107	2.9
135.04355	0.6
135.08037	11.2
135.11667	6.3
137.05937	1.1
139.11140	1.2
142.07742	0.6
143.08543	1.1
143.10597	1.1
145.07599	0.8
147.11656	1.5
149.05960	0.9
149.09569	1.9
149.13229	4.2
151.03868	2.3
152.04652	1.0
153.01726	0.7
153.05486	0.8
153.09041	1.5
153.12759	1.0
154.06165	1.3
157.10107	1.8
159.11688	3.1
163.07521	16.8
165.05402	0.8
167.07021	51.0
167.14253	0.8
168.07356	1.5
169.07628	1.3
169.10187	0.6
171.11674	1.6
177.09146	0.9
177.12747	6.2
177.16388	4.6
180.07764	1.9
181.07550	0.7
189.11200	5.8
195.06491	6.9
195.10152	10.3
195.13776	37.5
195.17422	2.5
196.14081	1.1
213.05460	1.0
213.09132	2.1
213.11247	3.2
213.14804	100.0
214.15044	2.6
215.49225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1481
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.23384	0.7
52.75810	0.6
53.03929	1.4
53.77297	0.6
55.01855	1.7
55.05256	1.2
55.05501	15.6
57.03428	1.9
57.07067	8.6
60.44757	0.7
62.06842	0.6
62.29955	0.6
62.65916	0.7
67.05488	5.4
69.03403	1.9
69.07053	7.2
71.04967	1.2
71.08609	0.8
79.05478	4.4
81.07046	8.4
83.04968	9.1
83.08594	2.1
85.06539	7.4
88.07616	1.8
91.05460	4.9
93.07031	14.5
95.04955	2.6
95.08595	15.9
97.06512	6.4
97.10180	1.5
99.04434	0.9
99.08080	3.0
103.05485	1.0
105.07016	5.9
107.04941	5.8
107.08584	23.5
109.06497	4.0
109.10118	4.5
111.04424	100.0
111.08049	5.9
112.04732	1.6
113.05980	2.1
113.09635	0.7
115.59281	0.7
116.90370	0.7
117.06995	2.3
119.08535	4.5
121.06471	3.1
121.10124	8.5
123.04391	1.2
123.08047	1.9
125.05970	29.6
125.09592	1.6
127.07556	3.0
129.06984	1.7
131.08575	1.2
135.07072	1.3
135.08043	13.9
135.11668	22.2
137.09633	0.8
137.13228	2.6
139.07559	4.3
139.11108	0.8
142.07718	1.3
143.08556	3.3
145.10098	17.4
151.03864	1.4
152.04642	0.9
153.12694	7.2
157.10141	4.4
163.07530	2.8
163.11154	26.1
167.07019	10.7
167.14400	0.8
171.11699	3.1
177.09068	1.4
177.16379	9.2
181.12202	65.8
185.09608	1.0
185.13196	1.0
195.06516	13.2
195.10187	2.3
195.13759	6.2
195.17484	2.1
206.49997	0.7
213.05444	1.2
213.09152	1.5
213.11058	1.4
213.12740	3.2
213.14749	1.9
213.16383	8.1
213.18529	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	Melazolide A
Peak:m/z	Relative Intensity
52.65099	0.8
52.84711	0.8
53.03930	1.8
55.01841	2.3
55.05491	2.5
56.81834	0.7
57.03420	1.9
57.07061	1.0
59.04984	1.0
60.11486	0.7
61.02905	1.2
65.03915	1.6
66.16444	0.7
67.05485	3.5
69.03415	1.9
69.07039	2.2
70.06573	1.8
71.04986	1.4
71.24432	1.3
71.24760	1.2
72.93739	1.0
73.02888	3.4
77.03917	1.0
79.05479	12.7
81.03401	1.9
81.07058	4.7
83.04958	2.7
83.08571	1.3
85.02914	1.7
88.07623	1.2
91.05464	25.1
93.07031	28.5
95.04971	4.7
95.08583	3.1
97.02860	1.5
97.06505	2.3
97.10131	0.8
99.04417	0.9
103.05439	1.8
103.31104	0.7
105.07020	39.8
107.04942	8.6
107.08582	66.9
109.02846	1.9
109.06492	4.5
109.10130	2.3
110.03584	0.9
111.04407	2.2
111.08026	1.1
115.05410	1.1
116.06219	3.0
117.06989	3.9
119.04951	1.9
119.08563	100.0
120.05692	0.7
120.08858	1.7
121.02850	2.5
121.06468	3.2
121.10128	28.4
122.07140	1.1
123.04448	1.6
123.08021	4.4
125.02285	1.1
125.05952	3.3
125.09640	1.9
126.03112	1.0
126.06616	1.3
127.03864	0.9
129.06985	2.1
131.08551	38.2
133.06516	5.1
133.10124	6.6
135.04384	2.8
135.08043	8.5
137.05943	2.2
137.09587	1.4
139.03876	1.8
140.04698	1.7
141.05429	3.2
147.08026	42.4
148.97314	2.7
149.05905	2.4
149.09596	38.3
151.03871	4.9
151.05000	1.1
151.11125	2.4
152.04697	1.0
153.01775	3.4
153.05423	5.1
153.09088	1.9
154.06181	0.9
155.07053	1.7
157.05008	1.7
159.08038	12.0
163.03857	2.0
163.07513	1.1
165.05457	1.5
165.09088	39.9
166.09470	1.0
167.03374	13.9
167.07019	10.9
167.10652	11.5
177.09087	36.3
177.10649	1.8
177.16454	0.8
189.97563	1.6
195.06514	17.9
195.10135	39.4
198.05161	1.0
206.41452	0.9
213.07547	2.3
213.11179	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91587	0.4
53.03934	0.9
53.22861	0.4
55.01872	1.2
55.82150	0.4
57.03429	0.6
65.03927	0.8
67.05493	1.5
69.03381	0.6
69.07050	0.5
69.76427	3.0
70.06577	0.5
71.04969	0.5
78.04704	2.1
78.29296	0.5
79.05482	7.2
81.03379	0.5
81.07042	1.6
83.04985	0.5
83.08617	0.5
85.02901	0.5
88.07626	0.6
91.05462	4.7
93.03384	0.8
93.07020	2.8
95.04952	2.6
95.08614	1.4
99.04435	0.8
103.05460	6.6
105.07015	7.6
106.04166	1.2
107.04939	53.9
107.08577	5.3
109.02876	0.6
109.06511	0.8
110.03657	0.7
111.04408	1.1
111.08066	0.9
111.64819	0.4
115.05436	3.6
115.29059	0.4
117.07003	2.4
119.04930	0.8
119.08556	5.1
119.68855	0.4
120.05699	1.5
121.06512	1.6
121.10115	3.6
123.04406	4.1
123.08072	0.6
124.05188	2.5
125.05988	2.7
131.04926	2.3
131.08571	2.6
132.63783	0.5
133.06462	1.2
133.10127	1.0
135.04402	1.6
135.08037	16.1
137.05968	1.7
139.03914	1.2
139.07565	0.5
140.04637	0.9
141.05527	0.6
145.06551	0.5
145.07553	0.9
147.04407	0.5
147.08058	2.0
149.05956	1.3
149.09613	3.0
151.03877	4.2
151.07515	0.5
152.04692	2.0
153.01796	6.2
153.05453	1.0
153.09093	0.8
154.06285	2.5
154.07378	0.6
155.06984	1.1
163.03838	0.7
163.07523	32.7
165.05464	1.2
165.09100	3.2
167.03342	1.8
167.07016	100.0
168.07411	1.7
177.05617	0.4
177.09103	5.7
177.16367	1.1
180.07790	3.2
181.08591	0.5
195.06551	4.8
195.10144	23.0
200.77969	0.4
213.06624	2.6
213.11180	11.1
213.16541	0.4
230.45071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1118
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03928	1.1
55.01851	1.4
55.05494	1.4
57.03424	0.9
57.05424	0.4
57.07071	0.7
65.03915	0.6
67.05502	2.0
69.07054	2.4
69.40692	4.2
71.04971	1.4
78.04694	1.4
79.05045	0.6
79.05478	7.4
81.03382	0.7
81.07047	3.5
83.08600	1.2
85.06523	2.0
91.05468	3.7
93.07024	3.3
95.04969	2.8
95.08594	3.9
97.06496	0.6
97.10117	0.6
99.04437	0.5
99.08073	1.3
103.05447	6.3
103.81178	0.4
105.07013	5.6
106.04137	1.4
107.04939	50.3
107.08582	3.2
108.08908	0.4
109.06535	0.7
109.10136	2.1
110.03625	0.5
111.04458	0.5
111.08062	0.7
111.11674	0.5
115.05453	3.4
117.07010	1.4
119.08526	0.7
120.05697	1.4
121.06509	1.3
121.10115	3.1
123.04428	4.6
123.11674	1.3
124.05203	3.3
125.05984	2.1
125.09609	1.0
125.13380	0.4
129.06978	0.4
131.04916	2.1
131.08554	0.4
134.03603	0.6
135.04338	0.8
135.08032	13.6
135.11705	1.3
135.34155	0.4
137.05956	1.0
137.13232	0.6
139.03867	0.8
139.07570	0.6
139.11125	0.5
142.07773	0.5
143.08481	0.4
145.06566	0.4
145.07617	1.2
147.04366	1.1
149.06050	0.8
149.13222	0.7
151.03886	2.8
152.04643	1.8
153.01784	0.7
153.12700	0.7
154.06204	1.6
157.10132	0.9
163.07520	29.7
165.05457	0.8
167.07018	100.0
168.07355	1.2
169.07552	0.6
171.11607	1.0
177.08980	0.8
177.16348	3.5
180.07825	2.7
185.09630	0.5
195.06499	2.7
195.08299	0.9
195.10136	18.5
195.17421	1.1
213.05408	0.6
213.07256	0.5
213.09030	1.8
213.11169	4.8
213.12828	1.0
213.16454	2.7
213.18329	1.0
216.91338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01863	0.5
55.05504	0.5
65.03941	0.3
67.05488	1.3
69.07049	0.5
70.17154	1.1
71.04964	0.4
73.02903	0.5
77.03911	0.7
78.04694	1.5
79.05479	6.7
81.03432	0.4
81.07046	1.1
83.04967	0.3
85.02879	0.4
91.05468	2.9
93.03385	0.4
93.07030	1.3
94.04178	0.4
95.04951	2.3
95.08581	0.9
98.20839	0.4
99.04494	0.3
100.02563	0.4
103.05443	6.9
105.03364	0.5
105.07012	4.7
106.04166	1.2
107.04937	47.0
107.08590	1.8
108.05257	0.6
109.02879	0.4
109.06519	0.6
109.10165	1.3
111.04408	0.4
115.05447	3.1
117.06994	1.1
119.04974	0.6
119.08576	0.5
120.05685	1.8
121.06499	1.3
121.10128	1.4
122.03619	0.5
123.04412	4.2
124.05196	2.5
125.05980	1.6
129.84848	0.3
131.04906	1.7
131.08505	0.4
133.06450	0.5
135.04404	0.4
135.08031	13.9
135.11653	0.5
137.05954	1.6
139.03888	0.6
145.06480	0.5
145.07605	1.0
147.04404	0.9
149.05956	1.1
149.09581	1.0
151.03885	1.6
152.04672	1.6
153.05357	0.4
153.12642	0.5
154.06229	1.8
163.07515	30.8
165.05434	0.8
167.07007	100.0
168.07301	1.0
177.09062	1.0
177.16318	0.5
180.07776	2.5
181.08607	0.7
185.07068	0.6
195.06479	1.4
195.10141	20.6
195.17392	0.8
213.06570	0.5
213.09198	0.3
213.11171	6.5
213.13043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1118
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03939	0.7
55.01860	1.0
55.05510	1.2
56.96074	0.2
57.03413	0.4
57.07064	0.6
64.90786	0.2
67.05495	1.1
69.03429	0.6
69.07047	1.2
69.58472	2.0
71.04980	0.9
77.03921	0.6
78.04681	1.5
79.05481	6.6
79.54474	0.3
81.03384	0.2
81.07047	2.2
81.84766	0.3
83.08600	0.4
85.06549	1.0
91.05457	3.1
93.07050	2.1
93.90943	0.3
95.04952	2.6
95.08599	2.1
97.06525	0.5
97.10152	0.4
99.08076	0.8
99.27589	0.3
103.05456	6.8
105.07014	4.7
106.04156	1.2
107.04940	51.9
107.08595	1.8
109.06485	0.5
109.10147	1.8
110.03642	0.3
111.08030	0.7
115.05439	3.6
117.07016	1.1
117.48196	0.2
119.04898	0.5
120.05692	2.1
121.06480	0.9
121.10122	1.6
122.03638	0.3
123.04411	4.5
123.11712	0.4
124.05198	3.1
125.05959	1.5
125.09668	0.5
131.04898	1.9
133.02823	0.6
133.06459	0.7
134.03564	0.4
135.04384	0.3
135.08034	15.4
135.11679	1.1
137.05923	1.2
137.13287	0.5
139.03877	0.4
143.08549	0.3
145.06567	0.3
145.07512	1.3
147.04379	0.8
148.05212	0.3
149.05945	0.8
151.03865	1.6
152.04654	1.8
153.01802	0.6
153.05511	0.2
153.12776	0.4
154.06274	2.1
157.10103	0.4
163.07521	27.9
164.07950	0.4
165.05424	0.6
167.07013	100.0
168.07336	1.2
171.11568	0.4
177.09067	0.4
177.16388	2.2
180.07820	2.9
181.08705	0.4
185.09592	0.3
194.04774	0.3
195.06540	1.8
195.10141	21.5
195.17416	0.8
213.05357	0.3
213.09230	0.6
213.11108	4.7
213.12834	0.4
213.16373	1.0
213.18298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1118
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03929	0.7
55.01861	1.1
55.05509	0.7
57.03422	0.4
65.03945	0.5
67.05494	0.9
69.03455	0.3
69.07063	1.0
70.52084	1.2
71.04973	0.7
78.04681	1.6
79.05046	0.6
79.05479	6.9
81.03394	0.4
81.07042	2.0
83.04955	0.5
83.08601	0.5
85.06524	0.5
91.05475	3.5
93.07026	1.9
95.04948	2.7
95.08578	1.9
97.06530	0.4
97.10142	0.3
99.08078	1.1
103.05460	7.0
105.04512	0.3
105.07015	4.9
106.04171	1.6
107.04941	53.2
107.08578	2.5
108.05264	0.5
109.06506	0.7
109.10137	0.5
110.03681	0.3
111.04433	0.4
111.08067	1.0
115.05419	3.1
117.06998	1.4
119.04979	0.4
120.05695	1.5
121.02812	0.3
121.06516	0.9
121.10109	2.4
123.04411	5.3
123.11668	0.3
124.05194	3.0
125.05046	0.4
125.05954	1.6
125.09592	0.5
131.04936	2.1
131.08577	0.4
133.02814	0.6
133.06430	0.9
135.04454	0.4
135.08032	14.0
135.11638	1.5
137.05978	1.2
138.21950	0.3
139.03864	0.7
139.07542	0.3
140.04642	0.3
145.06477	0.5
145.07585	1.0
147.04358	1.1
147.05467	0.4
149.05959	0.8
149.09550	0.5
151.03867	1.4
151.07570	0.5
152.04704	2.2
153.01820	0.7
153.05392	0.5
154.06245	2.2
157.10191	0.3
163.07521	30.9
165.05478	0.7
167.07013	100.0
168.07353	1.7
169.08090	0.4
177.12740	0.7
177.16365	2.2
179.07098	0.6
180.07777	3.0
181.07443	1.8
195.06468	1.5
195.10152	20.1
195.13737	0.7
195.17390	0.4
196.10468	0.3
213.11200	4.4
213.16463	0.4
213.18448	0.4
218.40981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1118
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.34402	0.7
55.01852	1.2
55.35787	0.8
57.03431	1.3
67.05485	1.0
69.03412	1.5
70.62145	1.2
70.62508	3.0
70.88242	0.8
79.05474	9.6
81.07040	4.1
83.04946	2.3
85.02873	1.3
91.05470	22.7
93.07030	24.2
95.04940	2.7
95.08593	2.0
97.06532	0.9
103.05456	1.0
105.07016	38.9
107.04921	3.3
107.08578	66.5
109.06490	3.4
109.10163	0.9
113.05928	0.9
116.06200	2.9
117.07000	2.6
119.04871	1.1
119.08562	100.0
120.08881	1.0
121.06480	2.3
121.10123	29.7
123.08078	4.3
125.05993	2.2
125.09616	1.8
129.06969	2.6
131.08548	36.1
133.06485	4.2
133.10091	3.5
135.04327	1.3
135.08035	7.6
137.05943	1.4
147.08026	45.8
149.09601	33.4
151.07538	0.9
151.11156	2.1
153.05415	3.6
153.09039	1.1
159.08041	11.1
165.09090	38.7
167.06979	2.8
167.10669	10.0
170.56955	0.9
177.09084	32.5
177.10657	1.7
195.06529	2.2
195.08318	1.7
195.10138	36.0
213.11185	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1118
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.02361	0.2
53.03945	0.6
54.14094	0.2
55.01866	1.0
57.03436	0.3
65.03936	0.3
66.04730	0.2
67.05486	0.6
71.10592	0.6
71.10939	0.3
77.03893	0.3
78.04714	1.7
79.05047	0.5
79.05483	6.6
81.07048	0.9
83.04974	0.3
91.05479	3.3
93.07032	1.0
95.04959	2.2
95.08562	0.3
103.05449	7.1
105.03376	0.3
105.04508	0.3
105.07015	4.7
106.04143	1.4
107.04942	50.3
107.08572	1.7
108.05292	0.4
109.02863	0.3
109.06493	0.8
110.03675	0.3
111.04436	0.6
115.05452	3.2
117.06995	1.4
119.04926	0.3
119.08559	1.1
120.05723	1.6
121.06522	0.8
121.10127	1.0
121.55740	0.3
122.03600	0.4
123.04417	4.4
123.08044	0.5
124.05201	2.4
125.05965	1.4
131.04926	1.8
131.08508	0.3
133.06479	0.7
133.10098	0.3
135.04436	0.3
135.08035	14.2
137.05994	1.1
139.03891	0.5
139.07547	0.3
145.07591	0.8
147.04337	0.7
147.08089	0.3
149.05983	0.8
149.09601	0.8
149.66489	0.2
150.41081	0.2
151.03893	1.4
152.04665	2.1
153.01791	1.0
153.05392	0.5
153.09050	0.3
154.06245	1.8
163.07527	29.5
164.07951	0.3
165.05440	0.9
165.09099	0.6
167.07018	100.0
168.07327	1.4
173.28142	0.3
177.09084	2.4
177.16438	0.4
180.07779	3.1
181.08571	0.7
195.06456	1.2
195.10149	21.1
196.10448	0.3
213.06682	0.3
213.09543	0.3
213.11194	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	213.0754
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
50.37980	0.6
51.20221	0.6
53.03936	2.3
55.01855	2.2
55.05497	3.4
56.96553	2.3
57.03426	1.6
57.07064	1.9
59.04995	0.7
61.02917	11.3
63.02362	0.8
65.03925	5.8
67.05495	6.4
69.03411	2.3
69.07053	3.7
69.97301	1.8
69.97736	2.6
70.06572	1.9
71.01328	1.0
71.04980	1.4
72.08143	1.3
72.93757	1.2
73.02911	1.1
79.05482	19.6
81.03386	1.6
81.07049	4.3
83.04955	2.0
83.08620	1.7
85.02906	1.1
85.06541	1.0
86.06059	0.9
86.09685	1.4
88.07609	2.7
89.03879	0.8
90.94812	0.8
91.05471	5.6
93.03410	4.1
93.07051	4.3
94.04165	1.3
95.04955	8.0
95.08580	3.6
97.02850	1.7
97.06509	1.5
97.10144	1.4
98.21528	0.7
98.97562	0.9
99.04417	1.0
99.08085	2.1
103.05465	1.0
105.03377	2.1
105.04494	1.4
105.07010	3.1
107.04943	29.9
107.08584	6.8
108.02074	1.6
108.05286	1.0
108.08073	0.9
109.02843	2.2
109.06516	1.2
109.10121	1.4
110.03654	21.1
111.04434	16.5
111.08047	1.3
116.98598	1.4
117.03387	1.4
119.01887	1.0
119.04913	1.6
119.08579	5.3
121.02858	3.1
121.06494	11.5
121.10125	4.9
122.03648	5.4
123.04389	2.6
123.08004	0.9
124.05255	0.9
125.05979	76.0
127.03960	0.7
130.96281	1.5
131.08563	3.0
133.02829	12.0
133.10028	0.8
134.03606	1.1
135.04405	28.5
135.08060	1.4
137.05977	5.2
140.04669	1.2
141.00027	0.8
141.05470	4.7
147.08058	1.7
148.97339	5.7
149.05972	23.7
149.09604	3.3
149.13222	0.9
150.03122	9.7
151.03894	100.0
151.05002	9.0
152.04521	1.3
153.01831	5.8
153.05457	16.2
153.09065	1.3
155.06966	1.5
163.03912	10.9
163.07558	1.7
164.04570	0.8
165.05458	43.7
165.09143	1.9
166.06024	1.2
167.03369	2.0
167.07024	28.5
167.10683	1.1
177.05450	22.7
177.08942	3.4
177.16394	3.9
181.04733	0.8
189.97667	2.3
195.06506	43.0
195.10129	3.6
195.17473	0.9
196.06815	0.7
198.05223	1.4
207.98795	1.2
213.05508	2.6
213.07500	15.5
213.09540	0.8
213.11263	3.1
213.13026	1.1
213.16559	1.0
213.18495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0755
Annotation	Ethyl 3,5-dihydroxy-4-methoxybenzoate
Peak:m/z	Relative Intensity
53.03938	1.0
55.01861	3.6
55.05497	3.4
56.05014	1.2
56.96548	0.7
57.03428	1.4
57.07063	2.1
57.47119	0.5
59.04979	0.7
59.06107	0.9
60.04499	0.7
61.02916	1.4
65.03913	3.2
67.05491	3.0
68.05038	0.7
69.03426	3.0
69.07063	2.7
69.82209	0.5
70.06577	1.8
70.80112	2.0
71.01348	1.0
71.04976	1.9
72.08124	0.8
72.93800	0.6
73.02907	25.2
74.06064	1.0
74.25423	0.5
79.01843	0.5
79.05479	7.4
80.88244	0.5
81.03403	2.6
81.07053	4.5
82.06570	0.6
83.04970	3.2
83.06089	1.3
83.08611	1.8
85.02850	1.4
85.06540	1.5
87.05586	0.5
88.07625	2.4
91.03911	0.7
91.05473	9.4
93.03384	1.5
93.07025	10.1
95.04945	4.7
95.05994	0.6
95.08586	3.3
96.02118	1.1
97.02878	2.1
97.06522	2.1
97.07648	1.0
97.10166	1.4
98.97600	0.7
99.04432	1.5
99.05529	0.9
99.08105	0.5
103.05480	0.9
105.07011	15.0
107.04927	9.2
107.08578	27.0
108.08164	0.6
109.02872	6.1
109.06504	2.6
109.07629	0.7
109.10130	1.5
110.03639	1.4
110.06045	0.9
111.04427	3.5
111.05546	0.8
111.08022	1.3
113.07151	0.6
114.05547	0.6
114.06584	0.8
115.05481	0.7
116.06247	0.9
117.06995	2.1
119.04912	1.1
119.08562	32.8
121.02844	14.9
121.06500	2.7
121.10117	11.6
122.03633	0.7
122.09636	0.6
123.04418	2.1
123.08046	2.2
123.11671	0.5
124.01525	0.9
125.02289	2.6
125.05975	5.6
125.09606	1.0
126.03126	2.9
128.06157	0.7
129.06981	1.9
130.96291	0.8
131.08560	12.5
133.02823	1.2
133.06476	2.4
133.10085	2.3
135.04402	5.6
135.08023	4.4
135.11691	1.2
136.07596	0.7
137.05946	2.1
139.03882	2.4
139.07458	0.9
139.11105	0.8
140.04675	1.0
141.05434	28.0
144.29597	0.5
147.08028	15.0
147.96692	0.6
148.97356	5.0
149.05972	2.9
149.07050	0.7
149.08408	0.8
149.09602	13.4
149.10733	1.2
150.03116	0.8
151.03885	10.5
151.05005	0.8
151.11176	1.1
152.04736	1.3
153.01779	2.3
153.05473	6.1
153.09032	1.3
154.06139	1.0
155.06975	0.9
157.04948	11.5
159.08038	4.5
163.03909	1.7
163.07530	2.4
165.05466	5.0
165.09081	14.0
167.03374	100.0
167.07004	12.7
167.10625	4.9
168.03691	1.0
171.98991	0.7
177.05466	1.5
177.09065	12.7
177.12593	0.7
177.16353	2.1
181.04907	4.5
183.35825	0.5
189.97594	1.6
195.06497	47.0
195.10109	14.8
195.11813	1.1
195.13820	1.0
196.00821	0.5
196.06834	1.4
207.98645	1.2
210.76677	0.5
213.05556	1.8
213.07539	20.0
213.11078	16.4
213.16063	1.8
213.18457	1.2
214.10568	0.7
214.50435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.0
53.03929	2.6
55.01862	1.8
55.05494	3.0
56.05013	0.8
56.96566	0.8
57.07063	1.9
59.06110	1.0
60.04506	0.7
61.02920	9.2
65.03928	5.9
67.05495	4.5
69.03405	1.2
69.07060	3.4
70.06569	1.2
70.79775	0.8
70.80123	2.0
71.04960	1.8
72.04517	0.9
72.93780	1.2
73.02895	2.1
79.05051	1.3
79.05480	18.0
81.03413	1.2
81.07047	3.2
81.24957	0.8
82.09315	0.8
83.04964	1.7
83.06077	1.4
83.08595	1.6
85.02890	1.2
85.80685	0.7
88.07619	3.8
90.94779	1.1
91.05463	7.2
93.03396	4.5
93.07043	5.6
95.04947	5.9
95.08584	3.7
97.06515	2.0
97.07585	0.8
97.10173	1.2
99.04449	1.7
99.05617	1.0
99.08085	1.2
101.07124	1.0
105.03398	1.7
105.04489	1.2
105.07004	4.8
107.04944	29.4
107.08575	8.2
108.02098	1.6
109.02873	1.9
109.06504	2.1
110.03643	19.6
111.04432	13.9
111.08069	1.4
113.09662	0.8
117.03375	1.7
117.07034	0.7
119.04903	1.8
119.08573	8.3
121.02849	3.1
121.06490	9.7
121.10122	4.8
122.03593	4.6
123.04445	1.1
124.05186	1.6
125.05975	68.3
130.96298	1.8
131.08563	4.3
131.97417	0.9
133.02840	11.3
133.10173	0.8
134.03612	0.7
135.04401	27.2
135.08066	1.7
135.11693	1.2
137.05962	4.8
139.03946	0.7
141.05444	7.0
143.06970	1.2
147.08029	3.9
147.96619	0.7
148.97336	6.4
149.05969	20.8
149.09569	3.7
150.03098	9.9
150.24144	0.7
150.96925	0.9
151.03891	100.0
151.04994	8.5
152.04402	1.7
153.01797	2.9
153.05453	19.0
153.08997	0.9
154.06128	1.0
159.08041	1.2
162.03130	2.0
163.03893	8.5
163.07610	2.1
165.05458	36.3
165.09123	3.3
166.98438	0.8
167.03427	4.9
167.07021	25.4
167.10707	2.6
177.05460	21.6
177.08972	3.8
177.16373	3.0
178.05788	0.7
181.04973	1.3
189.97678	2.9
195.06500	38.7
195.10129	5.1
195.13795	0.9
196.06938	0.9
198.05191	1.2
207.98674	1.9
213.05496	3.8
213.07564	15.7
213.11084	4.1
213.16371	1.0
213.18555	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0755
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03927	2.1
55.01849	2.6
55.05497	1.5
56.96533	0.8
57.07065	1.4
61.02921	10.3
65.03929	5.4
66.93011	0.8
67.05499	4.6
67.62952	0.8
69.03394	1.3
69.07046	2.7
70.74646	2.3
71.04989	1.0
73.02903	0.8
77.03890	1.2
79.05484	17.2
81.03386	1.1
81.07035	3.0
83.04955	1.2
83.08593	1.0
85.02891	1.1
85.06512	0.8
88.07637	1.4
91.05469	6.4
93.03385	4.9
93.07037	4.1
95.04967	4.8
95.08593	1.6
97.02859	1.0
97.06515	1.8
97.10130	1.3
99.04452	2.3
100.27953	0.8
105.03400	1.7
105.07030	4.2
107.04944	29.1
107.08580	6.7
108.02100	2.4
109.02873	2.0
109.06521	2.4
109.10128	1.1
110.03647	20.2
111.04443	15.3
111.08057	1.8
117.03383	1.0
119.04911	1.8
119.08572	7.6
121.02827	1.7
121.06503	8.9
121.10144	4.8
122.03639	4.6
123.04393	2.0
125.05978	68.9
131.08533	3.9
133.02849	10.4
135.04410	25.5
135.08058	2.1
137.05945	4.0
139.03804	0.9
141.05463	3.8
143.07047	0.9
147.08063	3.9
148.97343	2.6
149.04755	1.3
149.05962	22.6
149.07108	1.6
149.09628	3.9
150.03102	10.4
151.03889	100.0
151.04965	7.0
152.04340	1.3
153.01855	2.4
153.05452	17.7
154.06050	0.7
162.03172	1.1
163.03883	10.7
163.07539	2.1
165.05458	39.8
165.09134	3.2
167.03389	2.6
167.07022	28.1
167.08409	1.7
167.10652	1.3
171.98802	1.0
177.05452	23.4
177.08987	3.6
177.16347	2.7
189.97620	1.4
195.04697	1.5
195.06506	31.4
195.10129	4.7
195.13789	1.1
198.05171	1.0
213.05524	3.0
213.07570	12.6
213.11172	4.8
213.12973	1.0
213.18561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.70473	0.9
53.03930	2.0
55.05262	1.1
55.05502	16.4
57.03406	3.9
57.07066	6.2
59.04992	5.9
65.49528	1.0
67.05496	26.3
68.05017	1.0
69.03419	8.8
69.06711	1.6
69.07058	23.1
69.11878	1.0
70.06151	5.6
71.04977	19.9
79.05476	9.7
81.03398	5.7
81.07045	35.7
83.04968	16.4
83.08604	12.6
85.06519	7.1
91.05470	8.9
93.07028	22.0
95.04967	5.8
95.08592	46.2
97.06513	7.4
97.10134	3.8
99.04417	2.3
99.08073	5.9
103.05448	1.4
105.07008	12.9
107.08578	32.1
109.06502	10.6
109.10138	100.0
110.10468	1.8
111.08061	5.5
113.09610	2.4
115.07558	5.1
119.04953	1.6
119.08556	32.5
121.06491	1.3
121.10131	17.6
123.04409	7.5
123.08057	15.7
123.11689	29.0
124.05171	1.3
125.09604	3.3
127.07503	1.2
127.11202	1.5
128.68939	1.1
131.08421	1.2
133.06535	1.2
133.10110	26.5
135.11670	90.0
136.11987	1.5
137.05962	1.9
137.08562	0.8
137.09581	18.0
137.13226	2.6
139.11113	2.4
141.12668	1.8
147.11629	3.1
149.05969	2.9
149.13239	10.2
151.03850	1.3
151.07506	4.3
151.11137	11.0
151.14783	10.7
153.12741	8.6
155.03366	2.2
155.10649	3.0
165.12708	1.6
165.16414	3.9
167.07010	41.4
168.07381	2.2
170.05678	4.1
175.14792	34.1
179.07024	14.8
181.08560	2.1
193.08521	1.9
193.12193	3.7
193.15854	23.3
211.07576	1.7
211.09598	5.3
211.13388	1.4
211.16901	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	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.02615	0.9
55.05507	12.1
56.22506	1.0
57.03416	1.5
57.07056	3.8
59.04972	1.6
65.03914	1.4
65.57983	0.9
67.05495	19.8
69.03424	11.5
69.07056	14.7
70.93288	2.4
71.04990	5.7
71.08627	1.0
74.51433	1.2
79.05465	4.2
81.07043	25.7
83.04962	13.9
83.08610	8.8
85.06525	4.1
91.05470	5.8
93.07024	11.1
95.04963	5.1
95.08595	34.8
97.06518	1.0
97.10133	2.8
98.21405	1.1
99.08051	3.9
103.05494	1.5
105.07011	8.4
107.08581	23.3
109.06494	11.9
109.10138	100.0
111.08058	3.4
113.09618	2.8
119.08559	23.3
121.06467	2.1
121.10128	11.5
123.04411	14.2
123.08052	12.8
123.11699	8.6
125.09598	3.8
127.11160	2.5
131.08551	1.3
133.06450	0.9
133.10112	19.3
133.12146	0.9
135.11671	64.7
136.11980	1.5
137.05939	1.3
137.09596	16.4
138.10381	1.1
139.11145	1.8
147.04376	1.8
147.11685	1.6
149.06035	1.8
149.13213	3.9
151.03947	1.7
151.07521	8.5
151.11142	11.4
151.14783	11.4
153.12712	2.7
155.10585	1.2
164.73003	0.9
165.16360	3.4
167.07008	10.7
175.14798	22.4
179.07014	32.6
180.07370	1.7
181.08553	2.0
183.38445	1.1
193.08537	1.8
193.15848	20.1
211.09668	7.4
211.16887	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	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95076	0.4
53.03953	0.9
55.01873	1.2
55.05504	4.0
57.03431	1.7
57.07076	3.9
59.97411	0.4
63.49486	0.4
65.03941	0.4
67.05497	9.0
69.03421	1.5
69.07061	5.0
69.60594	0.8
69.61020	2.1
71.04977	1.8
78.04710	0.8
79.05483	4.3
81.02968	0.6
81.03417	8.1
81.07048	39.6
83.04975	3.9
83.08610	3.2
85.06536	4.0
87.04456	6.3
91.05467	5.2
93.07039	5.4
95.04970	4.4
95.08598	11.8
97.06538	1.2
97.10117	0.6
99.08080	1.9
100.30111	0.4
103.05474	0.6
105.07024	4.8
106.04151	0.4
107.04926	0.6
107.08595	6.6
109.06513	1.5
109.10147	8.4
111.04397	0.5
111.08076	2.1
113.06024	0.7
119.04948	0.6
119.08572	4.5
121.06460	1.3
121.10150	3.9
123.04427	5.3
123.08061	0.7
123.11696	56.6
124.05215	1.1
124.12004	0.7
125.09612	1.2
125.13278	1.9
127.11221	0.5
127.45939	0.4
129.06990	0.9
131.08540	0.8
133.06456	1.2
133.10117	2.7
135.11673	7.9
137.05974	1.5
137.09590	0.9
147.04393	0.7
147.08025	0.4
147.11659	2.7
149.05966	1.8
149.09628	0.5
149.13231	3.4
151.03893	0.9
151.07520	1.7
151.11166	100.0
152.04688	0.6
152.11469	1.4
153.12720	4.2
157.10132	1.2
160.88300	0.4
165.09163	0.6
165.12785	1.0
167.07024	36.4
167.14273	0.9
168.07401	1.2
175.11137	1.9
175.14745	2.9
179.07018	7.7
181.08562	2.0
193.08539	1.8
193.12259	5.2
193.15868	2.2
211.07584	1.0
211.09554	2.2
211.13329	2.8
211.15051	0.9
211.16893	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	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03920	3.1
55.01857	2.7
55.05502	19.0
57.03421	6.9
57.07062	5.9
59.04984	4.5
63.77190	1.4
67.05489	20.6
69.03422	7.6
69.06709	2.5
69.07056	29.4
69.68482	11.7
71.04977	14.6
71.10069	1.9
79.05492	10.5
81.03382	2.0
81.07045	34.2
83.04985	7.1
83.08602	6.4
85.06528	6.9
91.05462	11.3
93.07032	28.9
95.04953	21.5
95.08595	58.9
97.06525	7.0
97.10164	6.4
98.20691	1.4
99.04469	7.8
99.08079	18.4
105.07024	18.9
107.04909	1.5
107.08580	39.6
109.06507	8.4
109.10142	61.3
111.08073	6.1
113.06036	2.6
113.09609	4.4
119.08563	61.2
119.44497	1.5
120.08823	1.3
121.06477	2.7
121.10114	17.8
123.04430	4.9
123.08076	7.1
123.11697	16.1
125.09616	12.8
129.23129	1.5
133.10112	100.0
134.10420	2.3
135.11670	52.1
137.05966	11.4
137.09599	25.0
137.13219	3.1
139.11168	2.2
141.09094	1.7
147.11678	8.9
149.05931	6.3
149.13269	5.0
151.03873	1.6
151.07539	3.5
151.11168	4.1
151.14813	6.4
153.12730	5.1
155.10667	11.1
165.05399	2.0
165.16394	9.0
167.07007	21.9
175.14804	92.4
176.15111	1.8
179.06982	9.5
181.08574	6.4
193.08650	2.5
193.15855	50.7
211.09593	5.9
211.13142	3.7
211.16907	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.7
55.01847	4.6
55.05265	1.6
55.05502	24.3
57.03430	11.1
57.07056	8.6
58.89860	1.0
65.03917	3.2
67.05495	37.2
69.03420	6.3
69.06715	1.9
69.07057	27.5
69.64470	9.0
71.04977	12.2
71.08598	4.9
78.04691	2.2
79.05482	15.2
80.32456	1.0
81.03404	11.8
81.07044	53.2
83.04551	1.2
83.04980	14.5
83.08604	20.1
85.06531	12.5
91.05463	20.1
93.07030	28.4
95.04967	16.2
95.08591	69.4
97.02880	1.6
97.06513	11.4
97.10143	8.1
98.20767	1.6
99.04438	3.3
99.08066	8.2
101.36160	1.2
103.05437	4.1
105.07013	23.3
106.04133	2.4
107.04945	2.6
107.08574	30.7
109.06510	17.4
109.10139	94.1
110.10430	1.7
111.04443	1.6
111.08060	42.9
111.11727	2.7
113.05962	3.7
113.09594	1.8
119.04932	4.1
119.08562	45.4
120.24181	1.1
121.06484	5.0
121.09303	1.9
121.10127	27.4
122.07253	1.5
123.04407	24.9
123.08038	42.1
123.11679	25.6
124.05220	2.2
125.09610	6.9
127.07496	2.8
127.11091	2.6
131.08546	3.2
131.68094	1.1
133.06450	3.2
133.10104	37.1
135.04343	1.2
135.08086	1.8
135.11671	45.0
137.05978	9.6
137.09595	84.3
137.13231	9.2
138.10435	7.2
139.11157	4.8
141.09047	1.6
146.07449	1.3
147.04391	2.1
147.08012	1.5
147.11664	14.4
149.05959	9.1
149.09586	2.1
149.13249	12.1
151.03857	6.3
151.07550	13.7
151.11194	8.2
151.14804	10.7
152.04642	2.0
153.12646	1.7
155.08501	2.1
155.14320	1.2
157.10037	2.1
161.05980	2.6
163.11134	2.8
165.09157	1.5
165.12727	14.4
165.16403	4.3
165.68834	1.2
166.06207	3.2
167.07019	100.0
168.05736	2.4
168.07343	3.5
168.09280	1.2
169.10069	3.8
170.05721	2.2
175.11327	6.0
175.14799	59.4
179.07019	47.4
180.07381	3.1
181.08603	11.3
183.11632	2.6
193.08559	6.3
193.10707	1.5
193.12189	9.9
193.15849	39.8
211.05756	1.6
211.07530	5.4
211.09621	15.0
211.11446	2.1
211.13208	5.1
211.14911	3.5
211.16884	41.1
211.20459	5.3
212.17088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03935	2.3
55.01847	3.7
55.05262	0.9
55.05505	13.4
57.03431	7.7
57.07049	3.6
59.04992	8.1
64.11779	0.9
65.03929	1.6
67.05494	16.4
68.99778	1.0
69.03421	16.8
69.07055	23.0
71.04983	42.5
71.62685	0.8
71.63074	0.9
78.04708	1.1
79.05478	13.6
81.03407	6.6
81.07044	34.6
83.04965	11.1
83.08611	17.5
85.06534	9.6
88.70280	0.8
91.04958	1.3
91.05476	17.7
93.07028	34.5
95.04955	12.5
95.08597	40.5
97.06516	17.2
97.10162	2.7
99.04439	7.1
99.08073	9.7
102.15054	1.0
103.05456	4.8
105.07014	21.1
106.04138	2.1
107.04935	3.1
107.08578	27.8
109.02876	1.6
109.06526	6.4
109.09452	1.5
109.10146	25.2
110.03658	1.9
110.10464	1.1
111.04437	0.9
111.08070	9.3
111.11684	1.1
113.06019	1.0
113.09650	4.3
115.05374	1.3
115.07542	11.1
117.07066	1.0
118.04160	1.2
119.04919	6.3
119.08567	23.9
119.09428	1.1
121.02847	1.2
121.06495	7.9
121.10119	19.4
123.04412	43.2
123.08068	11.2
123.11691	57.0
124.05194	1.5
124.11997	1.9
125.09606	8.0
127.07559	4.2
127.11165	8.1
129.06912	1.0
131.08560	1.9
133.06505	4.8
133.10110	23.3
133.35411	1.0
135.08040	1.8
135.11676	54.0
136.05176	1.7
137.05965	7.7
137.09599	8.2
137.13239	3.2
139.11163	1.3
141.09045	3.0
141.12738	4.8
147.04407	4.8
147.11664	9.3
149.05966	10.7
149.09550	1.3
149.13248	10.4
151.03940	4.1
151.06427	2.0
151.07535	22.2
151.11131	2.5
151.14824	2.1
152.04665	1.5
153.12727	12.2
155.08568	1.3
155.10622	8.5
157.10138	2.2
161.05943	2.2
161.07114	1.8
165.09137	2.1
165.12723	4.1
165.16304	1.3
166.06264	2.5
167.07022	100.0
167.14349	4.4
168.05681	2.6
168.07341	4.2
169.10045	1.7
169.21049	0.8
175.11212	3.7
175.14806	36.8
179.03432	3.6
179.07013	92.9
180.07408	4.5
181.08563	13.8
193.08559	8.5
193.12199	5.9
193.15877	16.7
194.28227	1.0
196.05115	3.1
211.07530	7.0
211.09610	22.2
211.13255	2.9
211.16899	89.2
212.17209	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02444	0.3
53.03746	0.7
53.03997	1.5
55.01919	3.2
55.05558	12.9
55.07291	0.3
57.03484	5.8
57.07108	0.9
57.34131	0.3
59.05033	0.5
65.03992	1.1
65.74429	0.3
67.05492	13.9
69.03418	5.4
69.07056	6.3
69.60583	0.7
69.60989	2.3
71.04982	3.8
73.02950	0.3
73.06586	0.6
77.03962	0.4
78.04694	2.6
78.20146	0.3
79.05054	0.6
79.05480	12.8
81.02740	1.2
81.03405	39.1
81.07043	20.0
83.04967	18.9
83.08606	16.8
85.02946	0.9
85.06523	2.4
87.04473	0.4
91.05467	17.3
92.05843	0.5
93.03427	0.6
93.07035	11.0
94.84947	0.3
95.04953	18.0
95.08593	11.3
97.02934	1.4
97.06506	3.8
97.10157	3.9
99.04449	1.6
99.08070	1.8
103.05448	2.1
105.07015	13.7
106.04140	2.3
107.04956	4.2
107.08573	7.0
109.02888	0.5
109.06507	4.6
109.10136	6.2
109.10782	0.5
110.03696	0.6
111.04467	1.9
111.08057	7.0
113.06042	0.7
113.09661	0.5
115.05485	1.1
117.07014	0.7
118.04165	0.8
118.36832	0.3
119.04927	2.8
119.08560	9.8
121.06490	4.2
121.07229	0.4
121.10124	4.5
123.04408	18.3
123.08033	4.3
123.08778	0.4
123.11691	2.5
124.05239	2.1
125.05977	0.5
125.09595	3.3
127.07563	0.6
127.11215	0.7
129.07001	4.8
131.08540	5.6
133.06476	3.1
133.10115	8.2
133.11066	0.5
133.92319	0.4
134.03642	0.6
135.04420	0.4
135.08096	0.7
135.11665	3.2
137.02434	0.4
137.05965	4.8
137.09595	2.0
137.13284	0.9
139.07564	0.5
139.11208	0.9
142.07768	1.6
145.10123	0.5
147.04356	1.9
147.08032	1.8
147.11659	9.8
149.04826	0.3
149.05951	5.3
149.09579	4.1
149.13281	0.7
150.06584	0.5
151.03876	2.7
151.06575	0.4
151.07532	8.6
151.11174	1.1
151.14799	0.7
152.04689	1.7
153.05357	0.4
153.07043	0.4
155.08551	0.9
157.10110	8.3
161.05937	1.4
161.07124	0.7
163.11153	0.4
163.14813	0.8
165.05441	0.6
165.07118	0.3
165.09081	1.2
165.12706	2.5
166.06271	0.8
167.07013	100.0
168.05867	0.4
168.07372	1.7
169.10106	0.9
169.12210	0.5
175.11160	9.6
175.14780	2.6
179.07019	33.0
180.07506	1.2
181.08578	5.1
181.10046	0.6
183.11700	0.4
193.06863	0.6
193.08583	4.2
193.12212	24.9
193.15816	2.6
194.12595	0.4
194.70364	0.3
196.12401	0.6
211.07489	1.4
211.09627	8.0
211.13177	12.4
211.14783	1.0
211.16554	3.4
211.20427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03940	3.4
53.82454	1.2
55.01865	7.6
55.05505	40.8
56.96539	2.0
57.03430	15.0
57.07062	4.0
59.04996	1.9
65.03934	2.3
67.05495	39.5
69.03418	13.6
69.07056	16.5
71.04984	11.0
71.08614	1.4
71.62252	1.2
71.62666	1.7
74.81010	1.1
78.04716	1.7
79.05479	38.7
81.03404	100.0
81.07043	57.9
83.04970	45.8
83.08605	37.8
85.02866	1.4
85.06532	4.8
87.54613	1.1
91.05468	41.1
93.07029	26.3
95.04951	42.1
95.08595	28.4
97.02863	3.2
97.06515	8.2
97.10146	8.9
99.04447	5.1
99.08073	5.1
101.09583	1.0
103.05475	2.5
105.03405	1.2
105.07018	33.8
107.04942	8.2
107.08584	16.7
109.06516	10.3
109.10141	17.1
111.04421	3.8
111.08050	16.8
113.06001	3.0
113.09663	1.2
115.05478	1.1
117.07016	2.0
119.04931	2.8
119.08567	26.6
121.06452	5.4
121.10125	15.7
123.04420	14.1
123.08048	8.0
123.11695	9.8
124.05257	1.4
125.05952	2.1
125.09570	6.2
127.07500	2.1
129.06984	14.6
131.08557	14.3
133.06467	5.7
133.10106	19.5
135.08089	1.6
135.11661	8.7
137.05948	4.9
137.09592	6.3
137.13245	4.4
139.11166	1.8
142.07750	3.5
145.10091	1.9
147.04440	1.5
147.08018	3.7
147.11661	26.2
147.12772	1.8
149.05966	5.8
149.09598	7.1
149.13167	1.1
151.03862	2.2
151.06496	1.7
151.07535	8.8
151.11176	3.7
151.14761	1.7
152.04709	1.8
153.06886	1.4
153.12726	1.4
155.08566	2.1
157.10120	16.8
163.97542	1.5
164.80325	1.2
165.05350	1.1
165.07027	1.2
165.09000	1.9
165.12779	8.5
167.07022	64.6
167.10677	4.5
169.10083	2.6
175.11168	23.0
175.14783	5.8
179.07028	24.0
181.08563	4.7
183.11722	1.6
193.08571	4.5
193.12219	62.0
193.15891	5.8
211.07533	3.4
211.09621	6.9
211.11285	2.5
211.13156	35.1
211.14818	4.3
211.16891	3.9
211.20612	2.0
234.15393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1324
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03934	3.9
55.01851	6.3
55.05230	2.1
55.05502	41.2
57.03428	8.1
57.07067	3.3
66.10485	1.5
67.05162	2.5
67.05497	33.0
69.03407	8.4
69.07060	15.5
71.04988	8.0
71.62855	1.7
71.63331	3.1
79.05479	29.2
80.16510	1.5
81.03406	100.0
81.06572	2.6
81.07043	41.6
83.04967	48.1
83.08607	40.0
85.06523	3.3
91.05464	36.2
93.07023	20.8
94.13342	1.5
95.04953	34.8
95.08594	26.7
97.02853	4.1
97.06518	5.8
97.10156	8.3
99.08079	4.0
105.07008	25.0
107.04936	7.1
107.08572	13.1
109.06500	7.4
109.10130	12.5
111.04437	3.7
111.08061	18.6
117.07005	1.8
119.04961	2.1
119.08564	22.7
121.06470	4.1
121.10124	10.9
123.04419	3.1
123.08072	5.8
123.11710	4.3
125.09553	2.8
126.30755	1.6
127.07569	1.8
129.06981	9.3
131.08537	9.5
133.06471	5.5
133.10127	17.1
135.11682	5.7
137.05943	3.2
137.09579	5.0
142.07724	2.8
147.08003	5.5
147.11673	16.8
149.09586	6.8
150.65724	1.7
151.07561	2.9
151.14775	3.0
155.08583	2.3
157.10118	20.0
165.12720	2.1
167.07037	8.8
175.11182	19.4
175.14807	8.8
179.07001	6.0
193.12209	54.3
193.15863	6.6
211.07614	2.1
211.09560	2.9
211.13171	26.5
211.14806	2.5
211.16748	1.5
232.20987	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0961
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03925	0.9
55.01859	1.1
55.05492	1.2
57.03430	0.7
57.07063	0.4
59.04983	0.7
65.03922	1.0
66.04704	0.4
67.05488	3.0
68.10464	0.3
68.99776	0.5
69.03425	0.5
69.07047	1.7
69.70972	2.5
71.04970	1.5
71.66816	0.3
78.04680	0.5
79.05488	4.2
81.03400	0.6
81.07053	2.6
83.04957	1.3
83.08591	0.6
85.06548	0.6
85.25549	0.3
91.05466	5.7
93.07031	2.7
95.04960	6.6
95.08588	3.7
97.06522	1.0
98.20795	0.5
99.04433	1.3
99.08054	1.2
103.05457	3.2
105.03394	0.5
105.04504	0.3
105.07018	8.9
106.04161	0.4
107.04910	1.8
107.08579	2.8
108.05733	1.0
109.02837	0.5
109.06486	1.1
109.10143	2.3
110.03649	1.7
111.04433	0.7
111.08085	0.4
115.05418	0.7
115.07549	1.0
118.04159	2.4
119.04932	5.2
119.08570	1.8
120.05704	0.5
121.02821	0.8
121.06489	1.9
121.10133	1.1
122.07270	0.6
123.04411	39.1
123.08044	3.8
123.11682	3.4
124.04810	0.4
125.05962	0.4
125.09600	0.7
131.04843	0.4
133.06465	5.5
133.10121	2.5
135.08000	0.9
135.11671	2.4
136.05182	0.6
137.05945	3.1
137.09561	1.4
146.03522	0.5
147.04396	4.7
147.08041	0.4
147.11682	1.1
149.05963	2.9
150.06766	3.3
151.03911	3.1
151.07524	24.8
151.11078	0.5
161.05925	1.0
161.07103	1.4
164.04648	0.4
165.09096	3.5
165.12701	0.7
166.06221	0.5
167.07019	15.8
168.07372	0.4
175.10995	0.4
175.14804	2.6
176.10706	1.0
179.07010	100.0
180.07436	2.1
181.08574	1.9
187.74094	0.4
193.06810	0.6
193.08585	12.6
193.12231	0.7
193.15848	2.4
211.09625	19.8
211.16905	1.7
211.18779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.5
51.86662	0.3
55.01861	1.0
55.05498	1.0
56.96563	2.2
57.03426	1.1
57.07064	0.4
59.06124	0.4
60.04528	0.5
62.06084	0.8
65.27739	0.3
67.05496	1.3
68.05032	0.3
69.03411	2.0
69.07064	1.2
70.06600	0.5
71.61052	0.6
72.04503	1.4
72.08137	0.5
72.93772	0.5
73.02899	0.8
74.06055	0.6
74.37217	0.3
79.05489	3.0
81.03393	0.6
81.07053	1.2
83.04978	1.0
85.02895	2.4
85.06519	0.5
85.94611	0.5
87.04467	0.9
87.51682	0.3
91.05463	4.6
93.07030	1.8
94.07371	0.6
95.04961	1.1
95.08569	0.5
97.02882	1.3
97.06532	0.8
98.97549	0.9
99.04476	0.5
103.05462	5.6
104.05791	0.9
105.07020	6.2
106.07386	0.5
107.04953	2.9
107.08598	0.4
108.08125	0.7
109.02861	0.7
109.06515	1.0
109.07632	0.5
110.06032	0.5
115.05434	0.5
116.98609	0.6
117.05732	1.2
117.06996	2.6
118.06532	3.9
118.94398	0.5
119.01900	0.6
119.07310	5.5
119.08188	0.4
119.08564	0.8
120.08096	7.9
121.02837	0.4
121.06471	1.1
122.06007	0.6
122.06838	0.9
122.10451	0.6
123.04407	0.8
123.08058	0.5
127.03941	0.7
128.06233	0.4
129.05464	0.4
129.06978	5.8
130.06543	0.4
131.04948	2.0
131.07304	1.4
132.04417	0.4
132.05264	0.5
134.99663	0.4
137.05948	2.8
141.42725	0.4
144.08069	1.2
145.03421	1.1
145.96626	0.7
146.09627	7.2
146.99603	0.4
147.06592	0.5
149.05928	1.4
150.05392	0.7
150.06450	0.9
151.03859	0.6
151.07503	0.9
155.03384	0.4
157.03369	0.6
160.04677	0.4
161.02942	0.8
163.97696	2.5
164.10693	100.0
165.11035	2.2
167.07019	3.7
170.05768	1.1
177.00659	0.5
177.05069	1.6
178.05972	2.2
179.07019	0.4
181.98772	1.7
182.08005	0.5
182.09398	0.7
185.02882	0.7
186.99200	0.6
187.02754	0.9
188.55879	0.4
189.06030	0.4
192.06497	0.4
192.07349	0.3
192.10167	1.2
192.14604	0.5
196.39983	0.4
203.03867	0.5
205.00371	0.6
205.03851	0.5
210.08173	1.6
210.11227	19.8
210.15425	1.6
211.05862	0.7
211.09573	0.4
211.11609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1896
Annotation	(-)-Noranthoplone
Peak:m/z	Relative Intensity
51.64385	0.8
53.03925	1.9
55.01620	1.2
55.01864	16.0
55.05498	12.3
57.03425	1.5
57.07062	6.0
59.59970	0.8
60.47838	0.7
67.05151	1.3
67.05492	12.0
69.03403	2.8
69.07056	42.8
69.98127	4.5
71.04965	3.1
71.08606	0.9
73.49928	0.8
74.45317	0.7
79.05471	6.7
81.03368	1.6
81.07045	24.6
83.04958	4.8
83.08601	8.7
85.02930	0.9
85.06506	2.8
85.10166	0.9
89.03870	1.0
91.05454	8.2
93.07023	20.1
95.04959	6.1
95.08590	67.9
97.06505	2.2
97.10148	8.1
99.04427	1.7
99.08071	6.9
103.05457	5.1
105.07007	4.0
106.04165	1.6
107.04903	1.7
107.08575	25.5
109.06479	5.2
109.10132	22.0
111.08052	2.2
111.11700	32.5
113.09616	2.8
117.03374	2.0
117.06992	1.4
118.04159	1.0
119.04926	1.0
119.08556	2.4
121.06469	7.2
121.10125	34.4
123.08013	2.8
123.11671	9.0
125.05891	0.9
125.09591	2.9
131.04886	3.2
131.08527	2.2
133.10110	5.3
134.03630	1.9
135.04366	1.2
135.08018	3.2
135.10664	1.7
135.11667	27.6
136.65578	1.0
137.09583	1.5
137.13232	1.7
145.02812	3.5
145.10191	1.2
147.04369	1.4
147.11646	1.2
148.05200	2.0
149.02328	1.2
149.05963	8.4
149.09586	3.3
149.13225	9.7
151.11147	3.3
153.05457	2.4
153.09056	3.3
163.03886	1.2
163.07590	1.8
163.11182	1.4
163.14777	3.3
163.97784	0.9
165.12758	1.3
167.14317	2.3
173.13252	1.7
177.05423	15.0
179.08424	0.9
181.04916	1.0
181.08528	1.6
181.10002	0.9
186.99379	1.0
191.07014	4.4
191.14316	5.5
191.17914	100.0
192.18314	1.8
194.02029	1.7
194.10927	1.0
194.13033	0.9
209.04378	6.0
209.06113	0.9
209.07977	11.6
209.09877	1.1
209.11534	1.6
209.13324	1.9
209.15335	16.7
209.18947	14.0
224.01735	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1531
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03926	4.0
55.01867	10.7
55.05503	59.4
57.03422	6.3
57.05740	1.6
57.07045	3.7
59.04984	4.0
65.03917	5.5
67.05490	15.2
69.03419	9.1
69.07050	12.4
70.71688	3.8
71.04984	9.2
75.04491	2.7
78.04716	2.6
79.05482	16.3
81.03392	2.5
81.07039	33.4
83.04473	3.0
83.04966	59.7
83.08134	2.5
83.08602	38.4
85.02867	4.6
85.06518	5.9
89.03899	2.1
91.05460	23.5
92.05812	1.8
93.03387	7.2
93.06467	2.4
93.07030	38.0
95.04948	41.3
95.08595	29.6
97.05894	2.7
97.06517	34.5
97.10155	9.8
99.04449	12.4
99.08054	8.9
103.05460	9.9
105.06464	1.9
105.07013	18.2
106.04155	23.2
107.04952	2.5
107.07845	3.2
107.08573	50.3
109.06497	86.9
109.09451	3.2
109.10139	45.2
110.03588	2.2
111.04475	2.1
111.08043	13.5
113.09671	2.3
115.07553	2.4
117.03387	3.3
117.06996	3.7
119.08535	7.9
119.51874	1.5
121.06486	30.0
121.10130	35.5
121.50919	1.8
123.08044	16.6
123.11679	14.8
125.05969	6.1
125.09605	24.1
127.07490	2.8
127.11068	1.7
130.07796	1.7
131.04909	3.5
131.08546	13.2
133.06439	1.5
133.10104	48.3
134.03583	4.4
135.04408	4.1
135.08040	17.7
135.11635	6.8
137.05957	2.3
137.09579	5.8
139.07510	1.9
139.11185	3.1
143.08530	2.5
144.09280	1.9
145.10162	8.6
147.11673	9.8
148.05116	3.7
149.02301	2.0
149.05963	36.9
149.09587	23.2
149.13225	22.4
151.09935	2.9
151.11160	50.6
153.05429	2.7
153.09082	40.4
158.10895	3.2
161.13239	1.9
163.07513	2.8
163.11218	8.0
163.14778	11.5
165.12753	2.6
167.07196	1.8
167.14284	66.7
173.13211	24.5
177.04053	2.0
177.05458	28.1
179.14290	3.9
181.08578	8.9
191.06993	3.5
191.12639	2.9
191.14287	45.4
191.16035	2.5
194.02055	8.1
194.05682	2.5
208.48811	1.8
209.04465	13.8
209.08034	19.8
209.11607	3.5
209.15338	100.0
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
50.54062	1.1
53.03932	3.2
55.01870	6.5
55.05503	15.4
57.03418	2.9
57.07063	2.9
59.04977	1.8
65.03932	3.4
67.05496	8.8
69.03424	9.5
69.07063	7.4
70.95290	3.4
71.04977	5.2
75.04459	1.6
78.04681	2.1
79.05482	14.3
81.07044	27.9
81.29028	1.1
83.04971	12.5
83.08608	8.6
85.02887	1.6
85.06551	2.1
89.03932	1.6
91.05471	17.8
93.03397	4.6
93.07029	16.3
95.04349	2.6
95.04957	53.0
95.08600	9.5
97.06518	11.5
97.10184	1.5
99.04437	11.4
99.08063	1.6
103.05464	4.4
105.07018	16.3
106.04163	18.0
107.04956	4.9
107.08585	41.3
109.06505	37.9
109.10136	18.2
111.04366	1.6
111.08075	4.9
115.05444	3.6
117.03342	1.7
117.07001	4.5
118.07835	1.1
119.04948	1.2
119.08553	5.7
121.06493	22.2
121.10121	25.8
122.07252	4.2
123.08048	11.3
123.11695	4.2
125.05969	4.8
125.09628	3.2
126.01053	16.6
131.04912	1.6
131.08582	6.6
133.10115	100.0
134.03609	1.9
134.10442	1.6
135.04428	1.2
135.08037	24.5
135.11700	3.7
137.05965	2.4
137.09601	69.7
139.07497	2.7
139.11166	1.4
143.08557	1.5
145.02844	1.3
145.10092	3.9
147.11652	4.8
148.05135	3.2
149.05966	26.3
149.09592	3.6
149.13246	18.6
151.07516	1.5
151.11176	11.2
153.05492	3.1
153.09082	22.0
154.09825	1.4
158.10890	2.3
163.07472	1.7
163.11166	2.8
163.14809	4.9
165.05363	2.1
165.12714	6.0
166.06276	1.5
167.14294	10.9
173.13266	12.3
177.05420	15.2
181.04987	2.0
181.08591	7.5
191.07048	3.5
191.10638	1.6
191.14299	16.9
194.02065	2.1
209.04259	7.7
209.08012	10.2
209.11726	5.3
209.15334	30.5
219.89723	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03922	4.8
55.01854	6.2
55.05499	21.2
57.03438	15.2
57.03654	3.0
57.07051	7.6
59.04986	4.4
61.02919	23.7
67.05499	30.3
69.03419	30.9
69.07065	31.4
71.04987	14.5
71.10204	6.4
79.05479	38.2
81.03382	7.1
81.07048	54.5
83.04972	18.5
83.08596	8.1
85.06057	3.9
85.06529	35.2
88.16196	2.7
89.06020	3.7
91.05474	31.9
93.07028	97.5
94.66956	2.9
95.04961	67.4
95.08595	63.2
97.06499	15.6
97.10172	2.6
99.04427	10.6
99.08047	2.8
103.05460	3.8
105.07018	56.4
106.04138	6.5
107.04917	11.8
107.08580	100.0
109.06505	37.1
109.10144	49.4
111.08055	9.6
113.09608	7.1
117.06975	9.0
119.08574	49.7
121.06460	14.6
121.10123	80.5
121.11016	3.2
123.08059	27.4
123.11717	12.0
127.07545	4.2
131.08571	33.4
133.10114	95.5
135.08046	25.5
135.11662	15.8
137.09572	10.8
139.07506	4.0
139.11148	2.5
143.08537	6.3
145.10085	20.4
147.11649	33.2
149.05946	8.5
149.09573	10.6
149.13248	34.9
151.11131	9.4
153.09085	28.0
155.10640	2.7
158.10886	10.9
161.13246	26.0
163.03891	2.6
163.14796	29.0
165.12685	3.7
173.13229	65.3
177.05473	5.7
191.14275	72.8
194.40814	2.7
209.04439	6.0
209.08075	6.2
209.15338	97.6
210.15668	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03929	1.9
55.01855	3.4
55.05497	3.1
57.03416	1.1
57.07057	1.6
59.05000	1.5
65.03925	2.2
67.05486	5.2
69.03418	11.4
69.07052	5.6
70.96069	1.7
71.04967	1.6
75.04465	0.9
78.04699	1.6
79.05462	4.1
81.03407	9.7
81.07044	9.6
83.04971	4.1
83.08600	2.1
85.02885	1.2
85.06504	0.9
89.03900	0.6
91.05462	8.2
93.03384	4.0
93.07024	7.6
95.04955	9.8
95.08589	10.2
97.06506	2.1
97.10138	0.8
99.08075	1.8
99.80367	0.6
103.05451	2.8
105.07011	7.5
106.04163	9.8
107.04951	1.2
107.08578	10.6
109.06493	13.3
109.10127	4.0
110.07330	0.8
111.08057	1.4
111.11724	0.9
117.03323	0.8
117.07012	0.9
119.08556	5.9
121.06487	10.8
121.10119	16.7
123.04362	0.7
123.08051	11.2
123.11684	6.8
125.05976	1.8
125.09589	1.3
125.12083	0.6
131.08557	1.5
133.10088	1.3
134.03607	2.2
135.04359	0.6
135.07994	2.5
135.11659	2.2
137.05956	1.9
137.09573	3.1
137.13213	2.1
139.07541	0.7
145.02826	0.8
145.10149	0.8
147.11627	3.8
148.05144	1.4
149.05960	13.7
149.09583	10.9
149.10709	0.6
149.13225	7.6
151.07549	0.6
151.11153	6.1
153.05521	0.9
153.09077	3.8
163.11192	0.7
163.14748	1.2
165.12723	100.0
166.13042	1.6
172.51764	0.5
173.13225	2.0
177.05435	6.9
181.08578	4.3
191.06989	0.8
191.14258	2.8
192.77977	0.5
209.04430	2.0
209.08044	4.6
209.15327	60.6
210.15662	1.3
218.33783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03928	2.8
55.01853	4.4
55.05494	6.0
57.03415	1.0
57.07063	2.8
59.04990	1.3
60.48645	1.1
61.99936	1.0
65.03905	3.1
65.81523	1.1
67.05507	7.4
69.03420	9.8
69.07060	5.8
69.44227	9.3
71.04985	1.8
75.04477	1.2
75.71221	1.0
78.04688	2.4
79.05477	10.3
81.07039	18.9
83.04942	4.5
83.08598	2.3
85.06520	1.8
89.03873	1.8
91.05463	18.0
93.03371	4.8
93.07033	10.0
95.04968	5.9
95.08611	5.9
97.06501	3.6
98.21643	1.8
103.05440	4.9
105.07017	9.8
106.04152	10.7
107.04939	2.9
107.08580	40.7
109.06503	17.7
109.10140	11.8
111.08057	2.6
113.51485	1.1
115.05434	4.1
117.06983	4.8
119.08536	5.7
121.06490	13.9
121.10127	23.5
122.07274	7.9
123.08041	4.1
123.11679	2.5
125.05981	3.0
125.09609	6.4
131.08554	5.4
133.10112	100.0
134.03613	2.9
134.10431	1.1
135.08032	28.5
135.11650	2.9
137.05923	1.7
137.09596	80.5
139.07468	1.3
145.02757	1.6
145.10080	3.5
147.11696	6.5
148.05147	1.8
149.05951	13.6
149.09567	3.2
149.13226	21.0
151.11151	4.7
153.05385	1.6
153.09082	3.6
158.10878	2.3
163.11127	2.0
163.14819	4.8
165.12802	1.3
170.30037	1.1
173.13275	9.1
177.05423	11.0
181.08554	2.9
191.14273	30.6
191.16023	1.5
194.02203	1.2
202.65260	1.1
209.04224	1.9
209.08026	5.5
209.11755	1.9
209.15337	16.2
228.08255	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
55.01853	4.4
55.05494	6.0
57.03415	1.0
57.07063	2.8
59.04990	1.3
60.48645	1.1
61.99936	1.0
65.03905	3.1
65.81523	1.1
67.05507	7.4
69.03420	9.8
69.07060	5.8
69.44227	9.3
71.04985	1.8
75.04477	1.2
75.71221	1.0
78.04688	2.4
79.05477	10.3
81.07039	18.9
83.04942	4.5
83.08598	2.3
85.06520	1.8
89.03873	1.8
91.05463	18.0
93.03371	4.8
93.07033	10.0
95.04968	5.9
95.08611	5.9
97.06501	3.6
98.21643	1.8
103.05440	4.9
105.07017	9.8
106.04152	10.7
107.04939	2.9
107.08580	40.7
109.06503	17.7
109.10140	11.8
111.08057	2.6
113.51485	1.1
115.05434	4.1
117.06983	4.8
119.08536	5.7
121.06490	13.9
121.10127	23.5
122.07274	7.9
123.08041	4.1
123.11679	2.5
125.05981	3.0
125.09609	6.4
131.08554	5.4
133.10112	100.0
134.03613	2.9
134.10431	1.1
135.08032	28.5
135.11650	2.9
137.05923	1.7
137.09596	80.5
139.07468	1.3
145.02757	1.6
145.10080	3.5
147.11696	6.5
148.05147	1.8
149.05951	13.6
149.09567	3.2
149.13226	21.0
151.11151	4.7
153.05385	1.6
153.09082	3.6
158.10878	2.3
163.11127	2.0
163.14819	4.8
165.12802	1.3
170.30037	1.1
173.13275	9.1
177.05423	11.0
181.08554	2.9
191.14273	30.6
191.16023	1.5
194.02203	1.2
202.65260	1.1
209.04224	1.9
209.08026	5.5
209.11755	1.9
209.15337	16.2
228.08255	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.03553	1.0
53.03928	1.7
55.01858	1.8
55.05495	9.2
57.03411	2.1
57.07061	7.9
59.04975	2.8
65.03923	1.0
67.05495	10.0
69.03066	1.7
69.03419	20.3
69.07056	10.9
69.35563	10.8
71.04977	2.9
79.05476	9.5
81.03405	1.7
81.07044	15.6
83.04968	19.2
83.08589	3.5
85.06529	8.8
91.05467	10.0
93.03368	1.2
93.07028	13.3
95.04948	7.8
95.08595	16.7
97.06532	5.9
97.10153	1.6
99.04461	1.9
99.08075	3.0
103.05466	1.7
105.07014	9.5
106.04147	4.4
107.04896	1.1
107.08575	34.6
109.06502	21.5
109.10137	8.6
111.08048	11.8
113.05976	2.4
117.06969	1.3
119.08553	7.7
121.06498	7.5
121.10129	17.8
123.08069	7.1
123.11699	6.4
125.05961	2.2
125.09611	55.7
126.68761	0.9
131.08549	7.9
133.10117	14.7
135.07092	1.6
135.08037	19.6
135.11661	9.1
136.08853	1.0
137.05925	1.4
137.09596	4.6
143.08505	2.1
144.09311	1.3
145.10066	4.2
147.11618	5.4
149.05948	6.4
149.09601	14.3
149.13246	11.1
150.10417	1.3
151.11153	11.7
153.09085	17.6
158.10915	5.4
161.09570	1.9
163.11195	6.6
163.14766	6.9
165.12735	16.9
167.14301	1.8
173.13234	26.9
176.11884	1.6
177.05449	5.3
181.08595	1.6
183.58014	1.1
191.14276	100.0
192.14505	1.0
209.04404	2.9
209.08067	3.2
209.15334	97.3
210.15663	2.4
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
53.03938	3.1
55.01860	4.1
55.05504	17.9
56.30492	1.5
57.03414	3.2
57.07057	2.2
59.04967	2.4
61.13058	1.6
65.03925	2.9
67.05504	8.7
69.03415	8.0
69.07054	8.6
71.04987	5.7
71.46217	1.8
71.46583	2.1
75.04481	1.6
78.04691	1.9
79.05479	11.8
80.39953	1.6
81.07042	30.1
83.04964	20.9
83.08592	12.1
85.06532	3.6
89.03917	1.4
91.05467	20.3
93.03400	5.6
93.07030	18.5
95.04956	68.0
95.08595	9.7
97.06512	9.7
97.10129	2.6
99.04445	10.6
103.05466	5.5
105.07027	16.3
106.04173	15.1
107.04944	2.7
107.08581	40.4
107.09286	2.6
109.06508	41.6
109.10136	19.7
111.08060	3.2
115.05452	4.2
117.03366	1.9
117.06979	4.7
119.08572	6.6
121.06492	20.1
121.10118	26.3
122.07260	4.7
123.08055	8.5
123.11694	4.7
125.05992	4.3
125.09612	5.7
126.01052	19.0
127.07632	1.7
131.04839	1.4
131.08583	7.4
133.10109	100.0
134.03621	3.0
135.08038	23.4
135.11670	4.6
137.09593	65.5
139.07542	1.9
141.02141	1.4
145.10098	4.0
147.11650	4.2
148.05182	2.0
149.05943	21.1
149.09644	5.7
149.13243	22.4
151.07425	1.7
151.11145	13.3
153.05486	2.4
153.09081	26.3
158.10938	1.9
163.03958	2.3
163.07626	2.0
163.11192	4.8
163.14807	5.7
165.12775	4.6
167.14294	13.2
173.13249	15.7
177.05437	11.3
181.05045	2.2
181.08606	5.9
191.10638	2.2
191.14250	18.3
194.02049	2.3
194.09453	1.9
209.04433	4.9
209.06151	2.6
209.08080	6.6
209.11786	3.4
209.15323	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	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.51167	2.0
51.66071	2.2
52.99364	2.0
53.03935	4.5
55.01861	6.1
55.05504	29.2
57.03429	8.1
57.07064	10.5
59.04989	4.6
62.18760	2.1
65.03914	5.3
67.05500	30.1
69.03419	15.3
69.07059	24.6
69.66255	16.7
69.66644	3.8
70.31722	2.0
71.05004	10.9
74.45155	2.3
75.04471	2.4
78.04698	4.8
79.05491	26.7
81.03395	3.3
81.07043	40.9
83.04971	40.0
83.08611	10.3
83.72608	2.0
85.02892	6.0
85.06533	10.0
91.05468	31.4
93.03416	4.6
93.07028	58.9
95.04950	13.7
95.08584	43.6
97.06509	15.1
97.10150	4.2
99.04426	4.6
99.08059	14.1
103.05459	6.8
105.07001	20.3
106.04142	24.0
107.04965	7.2
107.07848	5.0
107.08579	95.3
109.06498	32.2
109.10141	41.2
111.04426	6.2
111.08046	11.7
117.07003	5.3
119.08545	14.5
121.06487	36.6
121.10125	50.5
122.07283	3.3
123.08051	100.0
123.11697	6.9
125.05980	8.7
125.09615	16.2
127.07545	15.1
129.07048	2.4
131.04942	2.7
131.08524	17.2
133.10112	27.6
135.08046	25.5
135.11699	9.1
137.05951	3.3
137.09608	18.1
139.07516	7.4
139.11171	4.5
145.10132	9.1
147.11678	11.3
148.05124	2.4
149.05975	22.9
149.09599	60.5
149.10728	4.3
149.13234	29.6
151.11160	38.9
152.57860	2.1
153.09068	23.7
154.09874	26.0
155.10669	9.1
158.10904	4.2
161.13222	3.3
163.11278	2.6
163.14795	14.7
173.13232	21.5
177.05467	10.3
181.04880	2.3
181.08545	5.6
191.07133	2.4
191.14302	28.4
194.02104	11.5
209.04398	12.9
209.08058	4.3
209.15361	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	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03928	2.1
55.01851	4.1
55.05505	34.7
57.03421	2.1
57.07058	2.8
59.04978	3.4
61.02918	1.2
65.03918	2.9
67.05508	7.7
69.03419	18.9
69.07055	9.5
70.70851	0.9
71.04975	3.9
71.21308	2.0
75.04449	1.2
78.04704	1.7
79.05476	9.0
81.07047	13.5
83.04971	32.7
83.08121	1.8
83.08605	23.3
84.77937	1.0
85.02870	2.0
85.06521	4.0
89.03864	0.9
90.36399	1.1
91.05476	11.4
93.03383	3.9
93.07029	33.2
95.04955	48.4
95.08592	9.2
97.06519	7.1
97.10155	3.9
99.04450	9.0
99.08090	1.7
103.05447	3.6
105.07021	8.9
106.04170	9.5
107.04948	5.8
107.08584	38.9
109.06502	17.8
109.10141	15.9
111.04418	1.2
111.08057	7.0
113.09613	1.5
117.07014	1.4
119.08550	5.5
121.02872	1.2
121.06498	13.5
121.10126	100.0
122.10430	1.2
123.08095	4.9
123.11703	7.8
125.05962	3.2
125.09611	7.9
127.07601	1.9
131.04926	2.0
131.08530	3.0
133.10120	14.8
135.04411	6.7
135.08067	6.0
135.11635	5.7
137.05948	2.5
137.09589	1.8
138.03081	2.2
141.36790	1.1
143.08543	1.3
145.10081	1.4
147.11671	3.2
148.05171	2.1
149.02318	16.9
149.05949	17.2
149.09607	1.6
149.13237	8.3
150.03041	0.9
151.11166	27.2
153.05455	6.4
153.09085	20.1
158.10780	1.1
163.03848	8.6
163.07506	1.3
163.14810	20.5
165.12589	2.2
166.02586	3.8
167.14302	38.4
173.13272	8.2
177.05444	8.3
181.04919	8.7
181.08525	3.5
191.07024	1.6
191.14275	19.8
194.02090	12.3
199.39571	1.0
209.04424	96.9
209.08006	10.1
209.15341	59.7
210.04778	3.1
210.15591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0805
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03941	5.9
55.01611	1.7
55.01864	20.0
55.05504	6.7
57.03427	1.5
57.07064	1.4
64.08881	1.1
65.03935	8.5
65.85626	1.0
67.05499	6.6
69.03434	6.6
69.07057	6.1
69.34047	12.6
71.04971	4.4
75.04472	7.6
78.04699	8.1
79.05483	13.1
81.03452	1.3
81.07050	9.7
83.04965	6.3
83.08598	3.6
85.02879	9.0
85.06516	3.1
89.03925	5.5
89.05999	1.9
91.05473	37.8
92.05796	1.2
93.03395	24.9
93.06475	1.4
93.07029	24.7
94.04160	1.5
94.53431	1.2
95.04958	20.1
95.08606	7.8
97.06505	11.7
97.10156	2.0
98.21548	2.3
99.04449	2.1
99.08054	1.5
103.05457	21.6
105.03391	3.0
105.04464	2.5
105.07005	7.6
106.04160	70.6
107.04948	6.4
107.08569	11.3
109.06523	9.4
109.09476	1.3
109.10121	7.2
110.03638	1.8
111.04414	3.7
111.08059	2.5
117.03355	4.9
118.04108	1.3
119.04922	4.8
119.08554	2.7
119.77854	1.1
120.05674	1.2
121.02750	1.2
121.06486	77.9
121.10088	7.6
122.03664	1.5
122.07272	2.1
123.04399	5.1
123.08038	4.0
123.11655	3.1
124.05196	1.9
125.05974	17.7
125.09594	5.5
131.04919	7.9
131.08516	2.7
133.02794	1.4
133.10121	4.8
134.03613	11.9
135.04404	3.5
135.08052	5.7
135.11667	5.9
137.05956	10.3
137.09572	1.6
138.06738	3.4
139.07535	5.5
145.02844	7.1
145.03804	1.2
145.10101	4.6
147.04370	3.2
147.11682	2.1
148.05165	7.4
149.05962	100.0
149.09525	5.4
149.13228	6.6
150.06310	1.0
151.03856	1.2
151.07507	4.6
151.11201	6.7
152.08252	1.5
153.05455	8.2
153.09077	22.8
153.12723	1.2
159.04362	2.5
162.03079	1.7
163.03873	1.9
163.07486	6.6
163.11145	8.3
163.14804	2.4
165.05449	1.6
165.12703	2.5
166.06207	2.8
167.06976	2.0
167.14299	4.6
173.13269	3.8
176.04688	2.0
177.05443	48.7
180.07872	1.2
181.04973	2.1
181.08577	27.6
191.07062	8.0
191.10649	2.5
191.14275	15.3
194.02057	1.9
194.05708	3.4
200.58560	1.1
209.04456	5.6
209.08076	32.0
209.09921	2.3
209.11595	2.7
209.15363	20.6
209.18814	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03938	1.7
55.01864	4.6
55.05502	0.9
55.61567	0.4
56.96561	0.9
57.03411	0.6
57.07053	0.4
65.03943	0.9
65.08458	0.5
67.05493	1.2
69.03409	1.4
69.07058	0.9
70.77750	0.7
70.78089	1.0
71.04979	0.6
77.03938	0.7
78.04697	1.2
79.05487	3.3
81.03445	0.6
81.07047	0.9
82.94829	1.1
83.04966	1.3
83.08619	0.5
85.02892	0.8
89.03896	4.9
91.05466	12.2
93.03387	0.6
93.07034	8.0
94.06551	0.9
95.04941	4.8
95.08584	2.3
97.02879	0.6
98.97583	1.2
103.05455	19.8
105.03371	0.7
105.04481	0.8
105.07018	1.3
106.04141	1.5
107.04946	10.0
107.08615	1.3
108.26075	0.6
109.06500	1.8
109.10136	0.7
110.25333	0.4
115.05374	0.6
116.98573	0.5
117.03381	5.0
117.17966	0.5
118.04121	1.4
119.04944	5.5
119.05797	0.7
120.05721	2.0
121.06487	27.5
121.10125	0.7
123.04414	0.5
123.08108	0.8
125.05968	1.0
125.09599	0.7
126.93723	0.5
131.04913	28.5
132.05261	0.5
132.16708	0.6
133.02873	1.0
133.10126	1.0
134.03613	8.3
135.04408	4.0
135.11671	0.5
145.02832	6.8
145.10158	0.6
147.04401	4.9
147.18321	0.5
148.05176	13.9
149.05962	47.5
150.06427	0.7
151.11096	0.6
153.05440	0.9
158.99748	0.5
159.04395	17.9
162.03130	2.1
163.03879	4.5
163.07550	2.8
163.14874	0.7
164.10664	2.6
165.05402	0.6
166.06215	1.8
167.07019	1.4
173.13229	0.8
176.04675	6.5
177.05446	100.0
178.05966	2.7
179.03331	0.6
181.08565	2.4
185.97433	1.0
191.07014	8.0
191.14297	2.0
194.05730	8.0
209.04507	2.5
209.08060	50.8
209.15323	4.5
210.08440	0.9
210.11293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0441
Annotation	6,8-Dihydroxy-7-methoxycoumarin
Peak:m/z	Relative Intensity
53.03921	0.2
65.03914	0.4
67.09679	0.1
69.03418	0.2
69.42331	0.8
69.42750	0.8
71.18121	0.2
77.03915	0.2
79.05478	0.4
81.03384	0.2
82.04175	0.5
91.05435	0.2
92.02576	0.2
93.03376	0.3
95.04958	0.4
97.06540	0.2
106.04166	0.2
107.04941	5.0
107.08533	0.2
109.06493	0.2
110.03657	0.8
110.04353	0.2
120.02076	0.2
121.02856	1.7
121.06500	0.3
133.02858	0.3
135.04391	5.1
138.03098	2.1
145.03986	0.4
149.02321	15.4
149.05917	0.4
150.02986	0.3
153.05449	5.5
158.05008	0.2
163.03885	8.2
164.04176	0.2
165.05428	0.6
166.02600	3.6
168.55635	0.2
177.01776	1.0
177.05435	0.5
181.04916	3.7
191.14369	0.2
194.02081	13.3
195.02383	0.2
202.68059	0.2
209.04416	100.0
209.15315	0.6
210.04759	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1741
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03926	2.8
54.31858	1.5
55.01860	2.2
55.05504	10.5
55.45367	1.3
57.03421	3.7
57.07077	7.0
59.04982	2.6
63.44129	1.4
67.05161	2.3
67.05492	26.2
69.03423	7.8
69.07056	9.2
69.97831	8.1
71.04979	4.2
79.05486	12.9
81.03370	3.2
81.07046	24.9
83.04975	8.1
83.08591	3.4
85.02900	9.4
85.06527	12.2
91.05474	19.8
93.07035	36.2
95.04960	6.9
95.08595	100.0
95.65241	1.5
97.06507	3.0
103.05469	2.5
105.07014	41.9
107.04918	2.2
107.08580	63.2
109.02872	1.6
109.06483	10.5
109.10134	13.3
111.04502	1.8
111.08048	5.9
113.05984	6.3
114.18338	1.5
115.96445	2.4
117.06980	3.3
119.04910	4.3
119.08565	59.8
121.06459	4.8
121.10123	24.0
123.08051	46.3
123.11668	16.1
127.07578	1.8
127.73948	1.6
129.06955	1.7
129.50027	1.3
131.08522	7.7
133.06450	5.2
133.10110	44.3
133.97565	1.7
134.15384	1.3
135.08017	4.3
135.11671	78.4
137.09610	14.3
137.13220	2.6
143.08504	1.9
145.10066	8.1
146.03581	2.7
147.04382	3.1
147.08061	7.4
147.11670	46.8
149.09598	40.0
149.13243	9.5
151.07491	7.1
151.11160	11.3
151.14780	2.9
156.09288	4.1
156.99013	1.7
159.11653	2.1
161.05928	3.4
161.09570	4.0
161.13232	21.0
161.14424	2.1
163.07590	1.9
163.11169	6.7
163.14796	12.7
164.04671	1.9
165.09053	2.0
165.12746	11.8
171.11639	6.3
179.06989	3.6
189.05405	2.2
189.12723	27.3
189.16354	76.8
190.16586	1.9
192.03957	1.6
192.09392	2.5
207.02774	1.4
207.06483	18.1
207.09865	2.9
207.11847	2.4
207.13780	55.8
207.17409	59.8
207.19385	3.1
208.09737	1.7
208.17682	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.01857	0.5
55.05498	1.4
55.69994	0.2
57.07037	0.3
64.15178	0.2
65.03926	1.1
67.05485	0.9
67.72302	0.2
69.03420	3.4
69.07034	0.7
69.63643	0.9
69.64073	0.7
70.82075	0.2
77.03943	0.2
79.05479	1.2
79.14501	0.2
81.03390	0.4
81.07039	0.9
82.04177	0.7
83.04523	0.2
83.04963	1.3
83.08595	0.7
91.05447	0.8
92.02583	0.2
93.03376	0.8
93.07043	1.3
95.04933	1.3
95.08582	0.7
97.06512	0.8
103.05431	0.5
105.06996	0.7
106.04126	0.9
107.04944	6.6
107.08577	1.6
109.06503	2.2
109.10138	1.0
110.03608	1.4
119.08580	0.4
120.02061	0.5
121.02846	1.9
121.06464	1.3
121.10139	1.5
123.11676	0.6
125.05977	0.4
125.09593	0.3
127.07491	0.3
131.08549	0.4
133.02802	0.3
133.10155	1.2
135.04401	6.0
135.08057	0.5
135.11755	0.3
138.03101	2.5
145.10045	0.4
149.02318	19.6
149.05977	1.1
149.09596	0.3
149.13263	0.3
150.03008	0.6
151.11133	0.8
153.05440	7.0
153.09093	0.6
163.03876	10.7
163.14717	0.5
165.05472	0.8
166.02585	5.7
167.14278	1.1
173.13158	0.5
177.01805	1.0
177.05424	1.5
179.06970	0.2
181.04924	7.2
186.94896	0.2
191.14259	1.4
194.00285	0.6
194.02080	16.4
209.04414	100.0
209.15355	3.8
210.04715	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1739
Annotation	beta-Irone
Peak:m/z	Relative Intensity
54.03442	3.6
55.05496	11.0
56.05022	11.4
57.03408	5.2
57.04525	4.6
57.07072	5.4
59.06113	7.1
60.06551	3.1
67.05492	20.9
68.05018	7.1
69.03430	9.8
69.04562	3.7
69.07054	11.4
70.06586	7.9
71.06092	4.1
71.46656	2.9
71.63534	3.4
79.05504	7.3
81.04536	12.1
81.07047	16.6
82.05292	4.0
82.06587	7.2
83.04955	7.4
83.06093	10.5
85.06538	7.4
85.07624	6.6
91.05437	15.0
93.07034	30.1
94.06564	5.1
95.04951	7.1
95.06073	10.2
95.08597	100.0
96.05621	4.8
96.08098	3.7
97.07655	14.9
98.06044	4.6
98.07181	8.6
99.09208	3.4
105.07016	24.1
107.06100	6.1
107.08581	46.5
108.05640	3.7
109.06494	10.7
109.07622	9.3
109.10150	14.2
110.07159	8.6
110.08405	3.2
111.08009	11.6
111.09216	9.8
112.08736	18.3
113.05988	3.5
115.96424	17.8
116.97222	6.4
119.08560	61.3
121.06447	3.3
121.07626	5.2
121.10143	25.2
122.07138	13.3
123.05535	4.5
123.06663	3.8
123.08056	28.6
123.09164	12.2
123.11692	13.2
124.07608	3.2
124.08707	16.8
125.07179	3.1
125.10767	4.7
131.08521	4.6
133.10127	44.1
133.97435	12.1
134.00700	3.2
135.08041	4.8
135.11673	62.0
136.05052	4.5
136.08665	9.6
137.08203	4.1
137.09583	6.3
138.10225	5.1
139.08687	4.2
141.38091	2.7
145.10040	4.9
146.03658	4.0
146.10881	3.4
147.04449	3.1
147.06682	4.9
147.08035	4.6
147.11668	35.3
148.08688	9.9
149.05951	3.3
149.07083	5.4
149.08273	7.1
149.09586	16.2
149.13196	4.4
150.10260	8.5
151.07416	6.8
151.11116	6.3
151.14865	3.7
156.99037	3.6
161.09572	5.0
161.13272	16.0
163.14774	5.9
164.09296	6.4
164.11844	6.9
165.07698	8.6
165.11363	12.1
165.12602	5.6
166.09737	3.1
167.02336	3.2
170.10602	3.1
171.11662	4.0
189.11314	4.5
189.12796	10.9
189.16359	89.5
207.06511	10.0
207.10303	7.2
207.12158	5.1
207.14003	34.1
207.15898	6.3
207.17543	43.0
208.11929	5.9
208.15588	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.85122	0.6
53.03925	0.7
55.05495	4.8
57.03414	0.7
57.07059	4.5
59.04988	1.5
65.03932	1.8
67.05492	29.8
69.03416	4.4
69.07053	3.0
69.66135	4.4
71.04967	1.8
79.05478	4.0
81.03401	0.7
81.07053	6.0
83.04963	4.6
85.02885	1.8
85.06528	10.7
90.77060	0.6
91.05462	8.4
93.07025	14.1
95.04958	4.2
95.08588	100.0
97.06536	1.3
98.20829	1.1
103.05454	0.6
105.07012	17.3
107.04938	1.6
107.08573	20.0
109.06502	5.1
109.10125	3.0
111.08068	1.2
113.05989	7.8
117.06995	1.1
119.04934	2.2
119.08559	25.8
121.06489	3.7
121.10125	16.4
121.11006	0.9
123.04420	1.5
123.08044	49.0
123.11669	6.0
124.08353	0.6
125.09618	1.0
129.06958	0.8
131.08531	5.4
133.06470	2.1
133.10092	5.8
135.08057	2.9
135.11656	5.8
137.09573	7.3
137.13246	1.6
139.07523	1.4
143.08511	1.0
145.10110	2.7
147.04370	1.9
147.08022	5.4
147.11662	16.1
149.02292	0.6
149.09590	39.3
150.09964	0.9
151.07545	2.3
151.14827	4.0
152.88647	0.6
153.09042	0.9
156.09334	2.7
159.08066	1.0
159.11644	0.9
160.08739	1.0
161.05905	1.4
161.09601	2.5
161.13229	17.4
163.07388	0.7
163.11160	3.5
164.04695	2.1
165.09084	1.8
165.12715	10.2
171.11678	3.3
174.10410	2.2
175.03883	0.9
179.07001	2.2
179.14349	3.1
189.09093	0.8
189.12717	17.4
189.14426	1.1
192.04268	1.2
207.06488	4.8
207.13770	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02368	0.9
53.03932	5.9
55.01857	2.2
55.05499	10.6
57.03416	1.1
57.07057	1.7
59.04962	1.3
62.62804	0.9
65.03932	2.0
67.05497	32.4
67.41925	1.0
68.67763	0.9
69.03434	2.2
69.06753	0.9
69.07059	8.7
71.04978	2.9
71.32137	0.8
71.45550	1.0
72.70434	0.9
73.06538	1.8
77.03916	1.1
79.05482	53.9
81.03407	2.3
81.06571	1.6
81.07047	25.7
82.57088	0.8
83.04990	5.4
83.08601	4.1
85.02885	4.0
85.06533	4.7
91.05469	48.0
92.05812	1.0
93.07033	100.0
95.04967	15.8
95.08598	24.0
97.06493	2.4
97.10120	1.5
105.04503	2.9
105.07018	29.9
107.04916	1.4
107.08582	15.7
109.06511	7.5
109.10132	4.0
111.07990	0.9
115.96407	1.1
117.07015	5.4
119.04932	2.0
119.08568	18.5
121.06494	4.3
121.10130	4.7
123.08053	10.9
123.11674	2.3
125.05891	1.1
128.06165	1.5
129.07011	9.8
131.08537	2.2
133.06442	1.5
133.10126	5.7
137.09602	2.3
143.08549	5.8
145.10094	9.8
147.04378	2.6
147.08040	3.7
147.11667	51.8
148.11885	1.0
149.02367	1.5
149.09598	6.7
151.07530	2.9
153.94427	1.0
161.08400	1.0
161.09615	4.0
161.13229	15.0
163.11180	1.8
164.04659	3.1
165.09091	1.2
165.12717	1.9
171.11678	21.8
172.11937	1.0
179.06970	3.3
179.14288	1.3
189.09004	2.0
189.12737	14.8
192.04135	1.5
207.06493	10.2
207.13770	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03934	4.3
55.01864	4.5
55.05266	1.4
55.05506	22.7
56.21262	1.5
57.03416	5.6
57.07063	2.8
59.04993	9.1
63.48122	1.3
65.03931	1.4
67.05499	20.4
69.03424	24.3
69.07060	12.1
70.97720	1.8
70.98055	2.9
71.04973	5.8
77.03903	1.4
79.05482	14.7
81.03406	3.4
81.06630	2.1
81.07052	23.4
83.04971	9.7
83.08591	2.5
85.02903	2.5
85.06521	5.0
88.07859	1.4
91.05471	31.9
93.06467	1.6
93.07038	25.0
95.04952	13.3
95.08595	38.5
97.06524	3.8
98.58977	1.4
99.04478	2.3
103.05441	4.2
105.07021	61.6
107.04934	5.3
107.08582	48.4
108.05722	2.9
109.06506	25.5
109.10136	14.5
111.04392	2.6
111.08057	5.1
113.06030	3.5
117.06997	6.1
119.04924	7.5
119.08571	66.6
121.06489	28.4
121.10128	23.1
123.08053	79.4
123.11668	5.5
125.09622	5.0
128.06206	2.5
129.07002	2.7
130.07774	1.5
130.90646	1.5
131.08549	6.2
133.06480	17.0
133.10110	26.5
135.08034	36.5
135.11659	13.7
137.05933	2.6
137.09608	52.5
137.13214	4.5
139.07516	4.7
143.08548	5.5
145.06464	2.2
145.10110	8.9
145.19449	1.5
146.07281	1.8
147.04395	5.0
147.08028	13.6
147.11671	70.9
149.02348	3.9
149.09612	31.2
149.13225	1.9
150.82393	1.6
151.07547	14.0
151.11185	2.7
151.14832	2.0
153.09073	15.2
156.09290	9.3
159.08000	3.2
159.11673	7.4
160.08873	2.5
161.06026	7.1
161.09608	8.7
161.13242	53.2
163.11157	40.8
164.04662	6.6
165.09109	4.0
165.12727	8.1
171.11673	13.5
173.49605	1.7
174.10399	5.4
177.12732	7.6
179.07024	9.5
179.14316	3.6
189.12718	44.8
192.04150	2.9
207.06516	18.9
207.13786	100.0
208.14079	2.2
223.67744	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03951	0.7
53.54528	0.5
55.05501	4.9
57.03416	0.8
57.07069	4.7
59.04999	1.6
62.80421	0.5
65.03929	1.8
67.05497	25.4
69.03410	3.7
69.07066	2.7
71.04977	1.9
71.61020	1.1
76.87168	0.6
79.05482	4.3
81.03409	0.6
81.07042	5.2
83.04974	3.8
83.08582	0.7
85.02914	1.4
85.06062	0.8
85.06531	10.6
90.71762	0.7
91.05462	8.8
91.34577	0.5
93.07027	11.3
95.04964	4.6
95.08595	100.0
96.08930	1.1
97.06503	1.4
101.92223	0.5
105.07018	14.8
106.07349	0.6
107.04947	1.5
107.08579	16.2
108.05765	0.6
109.06500	5.7
109.10109	2.8
111.04436	0.6
111.08080	1.2
113.05991	8.3
117.06973	0.9
118.46563	0.6
119.04922	1.5
119.08569	24.0
120.09341	0.7
121.06487	3.1
121.10138	14.0
123.08052	53.7
123.11674	5.4
124.08409	0.9
129.06993	0.6
131.08563	4.5
133.06476	1.6
133.10120	5.7
135.08044	1.5
135.11687	6.2
137.09599	6.3
137.13235	1.7
139.07527	1.4
143.08559	1.1
145.10118	2.1
146.03574	0.6
147.08020	5.0
147.11670	14.4
149.02299	1.4
149.09602	36.9
150.10013	1.0
151.07530	2.1
151.14819	5.0
156.09305	2.1
159.08028	1.8
160.08780	0.8
161.05914	1.3
161.09583	2.3
161.13232	21.7
163.11127	3.1
164.04611	1.2
165.09093	2.4
165.12733	11.4
171.11618	3.2
174.10362	2.3
179.07018	1.0
179.14232	3.7
189.09109	0.7
189.12717	20.5
192.04213	0.6
207.06487	3.9
207.13783	34.7
208.14241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03926	5.3
53.18556	1.8
55.01862	3.4
55.05503	13.4
57.03433	12.2
57.07051	4.8
59.04995	12.0
65.03940	3.2
65.40252	2.2
67.05172	2.4
67.05499	28.0
69.03423	14.5
69.07058	13.1
69.17189	2.9
69.66383	13.0
71.04968	11.6
79.05486	17.2
81.03385	6.1
81.07045	28.6
83.04966	15.7
83.08601	2.6
85.02894	11.2
85.06512	6.3
91.05456	35.1
93.07031	31.9
95.04963	17.0
95.08592	51.1
97.06501	4.1
102.50432	2.2
103.05450	4.8
105.03365	8.5
105.07014	78.4
107.04921	7.1
107.08575	41.4
108.05718	2.3
109.06499	44.1
109.10141	26.5
111.08074	10.8
115.05454	2.8
117.06964	6.6
118.04140	2.6
119.04927	19.7
119.08561	71.6
119.80953	2.0
121.06490	13.6
121.10116	40.5
122.07281	3.5
123.04395	2.7
123.08049	58.3
123.11681	9.6
129.06970	6.9
130.07819	2.2
131.04924	5.1
131.08575	11.8
133.06425	13.1
133.10104	23.1
135.08029	13.3
135.11691	3.7
136.05208	4.3
137.09598	99.0
137.13176	2.1
139.07553	14.6
143.08493	6.0
145.10117	16.3
146.03641	5.2
147.04370	9.4
147.08040	25.4
147.11664	48.0
148.05206	2.8
149.02318	6.6
149.09598	61.1
151.07498	23.2
151.14755	2.7
153.09132	3.3
156.09322	9.0
159.08081	3.5
159.11662	8.0
160.08765	3.6
161.05952	48.1
161.09587	21.5
161.13232	46.4
163.03902	3.7
163.07550	8.7
163.11154	20.0
164.04686	15.5
165.09117	6.0
165.12723	10.8
169.37471	2.4
171.11630	14.1
174.03033	2.8
174.10350	4.2
175.03886	3.9
177.12711	11.8
179.07016	10.0
179.14281	8.3
189.09082	17.4
189.12723	54.0
192.04199	4.5
207.06516	37.3
207.10008	4.6
207.13773	100.0
208.14046	3.5
208.16858	4.5
209.58684	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	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03950	1.1
55.05500	5.3
57.07047	3.9
57.34555	0.9
59.04980	1.5
59.21898	0.9
65.03933	1.6
67.05492	26.2
69.03410	3.2
69.07040	1.6
70.86677	1.6
70.87012	2.2
71.04984	1.6
75.27448	1.0
75.61571	1.2
79.05470	3.7
81.07028	4.9
83.04955	2.9
85.06527	9.5
91.05460	5.4
93.07028	12.1
95.04935	3.6
95.08586	100.0
96.08933	1.5
96.12886	1.0
99.86743	1.0
105.07020	9.5
105.40979	1.0
107.08584	14.8
109.06488	4.1
109.10130	3.1
112.57491	1.0
113.05983	8.3
117.06934	1.1
119.08559	20.2
120.09372	1.2
121.06439	1.3
121.10120	14.0
121.39291	0.9
123.08044	50.3
123.11642	5.4
131.08569	2.5
133.06474	2.0
133.10112	5.3
135.08023	1.7
135.11635	5.1
137.09612	3.6
137.13208	1.5
145.10094	2.6
147.08008	4.3
147.11636	11.1
149.08374	2.2
149.09587	42.1
151.07590	1.9
151.14772	4.9
156.09308	2.4
161.09537	1.8
161.13242	15.2
165.09081	2.3
165.12729	10.0
166.63853	1.3
171.11671	3.5
174.10385	2.9
179.14276	3.0
189.12706	20.9
207.13763	34.9
208.13950	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05507	10.1
57.03413	3.9
59.04995	5.6
65.03928	1.2
66.06852	0.9
67.05492	11.0
69.03423	9.3
69.07055	5.7
69.51748	7.9
69.52071	1.2
71.04987	4.3
79.05480	7.6
80.63290	0.9
81.03388	1.7
81.07044	14.9
83.04974	8.8
83.08578	1.4
85.02894	4.6
85.06528	2.0
91.05462	13.3
93.07030	16.4
95.04968	6.9
95.08596	19.4
97.06514	3.1
103.05427	1.3
105.07020	38.1
107.04956	2.3
107.08584	29.5
108.08847	1.0
109.06503	19.3
109.10138	8.7
111.04415	1.7
111.08041	3.2
113.06020	1.6
117.06992	2.7
119.04964	5.2
119.08569	40.2
121.06494	6.5
121.10132	14.9
123.08048	35.9
123.11697	4.5
125.09604	1.8
129.06972	2.3
131.08539	5.2
133.06511	6.0
133.10107	12.3
135.07094	1.3
135.08044	15.5
135.11656	4.7
137.09601	39.7
137.13159	1.8
139.07529	3.3
143.08527	4.3
145.10107	6.1
147.04361	2.3
147.07991	9.9
147.11670	34.9
149.09601	100.0
150.09958	2.5
151.07504	6.3
151.11162	1.0
153.09106	5.0
156.09309	6.8
159.08092	2.1
159.11670	2.6
160.08821	1.8
161.05949	3.9
161.09624	5.0
161.13240	27.1
162.13625	1.1
163.11198	6.0
164.04721	1.1
165.09058	2.2
165.12711	7.7
171.11659	7.9
174.10397	3.7
175.03889	2.3
177.12746	3.9
179.14304	2.3
189.09172	1.3
189.12718	35.4
207.06538	3.1
207.13782	74.5
208.14061	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	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.90379	1.5
55.05500	6.0
57.07043	7.2
59.04976	2.2
67.05492	20.4
69.03405	4.8
69.07058	3.5
71.13190	3.3
73.11356	1.5
79.05470	5.8
81.07050	15.3
83.04955	3.6
83.08610	1.8
85.02896	100.0
85.06532	9.6
91.05466	9.9
91.63728	1.5
93.07025	13.0
95.04938	5.1
95.08596	69.6
103.84258	1.7
105.07014	23.3
107.08579	17.9
109.06496	6.8
109.10143	16.6
113.05979	5.7
117.06998	2.6
119.07774	2.7
119.08565	30.4
121.06506	4.1
121.10124	21.2
123.07183	2.5
123.08053	34.2
123.11691	58.0
125.05945	10.9
131.08517	8.0
133.06494	2.8
133.10092	4.8
135.08038	2.0
135.11697	4.0
137.09622	4.8
145.10126	9.1
147.07979	6.3
147.11673	26.1
149.09599	44.1
151.07510	7.8
151.14867	2.5
156.09308	4.7
161.09608	1.7
161.13277	11.6
163.11160	3.7
165.12752	9.4
171.11702	5.9
174.10388	2.6
179.14232	1.7
189.12718	23.3
207.13773	72.0
207.15714	3.5
208.14136	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	206.0445
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
69.96481	0.8
69.96901	0.4
72.76947	0.3
81.03394	0.3
93.22057	0.2
104.04995	0.6
125.25162	0.2
132.04433	27.7
146.05945	0.4
147.06322	0.4
150.02664	0.4
160.03925	0.6
178.04968	100.0
179.05325	1.0
189.07422	0.5
191.14238	0.3
206.04454	50.6
207.04788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.102
Annotation	Casuarine
Peak:m/z	Relative Intensity
55.01854	2.4
55.05488	2.4
56.05017	1.9
57.03421	5.4
58.06578	3.7
60.04504	4.4
61.02893	2.9
68.05011	1.6
69.03420	7.4
69.64738	3.2
69.65163	5.6
70.06575	2.6
71.01322	1.4
71.04962	2.0
72.04491	1.4
73.02900	8.1
74.06056	4.0
78.09280	1.0
79.05462	1.7
80.04979	2.6
81.03406	4.6
81.07030	1.1
82.06576	6.6
83.04977	7.7
83.65127	1.0
84.04488	13.9
85.02888	9.1
86.06031	2.9
87.04454	1.3
88.07603	1.5
95.04939	3.4
96.08125	10.7
97.02870	6.4
97.06501	2.8
98.06039	11.9
99.04436	4.8
100.07600	2.0
101.02398	1.2
102.05520	1.3
102.36575	1.1
104.10708	2.5
106.06499	1.5
107.02518	1.4
107.04861	1.3
109.02889	2.6
110.06036	12.6
111.04441	8.8
112.07533	1.7
114.05463	1.6
116.03064	1.2
119.01891	2.2
121.01655	3.6
122.06013	3.1
123.06743	2.9
124.07576	14.5
125.05951	3.9
126.05484	5.3
127.02236	1.4
127.03895	3.6
128.07123	2.8
131.01894	1.4
131.03522	1.7
133.01660	1.3
140.07098	2.1
142.08595	9.3
147.04868	1.2
149.04599	1.7
152.07042	28.5
153.05457	13.1
155.04710	1.5
158.08112	2.7
160.09734	7.2
161.02863	1.9
164.05165	2.3
169.03372	1.7
170.08113	24.3
171.03195	3.2
171.06482	4.0
176.05142	3.2
176.47336	1.1
183.05092	1.1
185.05748	5.0
187.02704	1.8
187.04594	1.4
188.09149	19.0
189.04260	2.5
189.07558	3.9
194.06155	1.3
206.05934	2.3
206.10220	100.0
207.10603	1.6
223.06677	1.3
225.06479	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	205.1949
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
52.39347	0.6
54.61577	0.5
55.05264	0.9
55.05504	13.3
57.07067	5.7
65.03938	1.0
66.55025	0.5
67.05169	1.1
67.05496	15.2
69.03404	0.7
69.07060	26.3
69.51499	1.0
69.51894	4.3
71.08600	0.8
72.93772	1.6
79.05483	12.3
81.03404	0.8
81.07047	34.3
83.08604	9.3
83.49043	0.5
84.04427	0.6
91.05460	5.5
93.07031	44.4
95.04954	1.4
95.08596	52.2
96.04496	0.7
96.08930	1.2
97.02897	3.5
97.10154	7.2
98.21458	1.2
102.96075	0.6
105.07012	3.2
105.26608	0.5
107.08582	40.5
108.08870	0.6
109.02873	2.8
109.10143	46.6
110.10461	1.2
111.11684	1.5
113.96402	2.8
114.05457	0.7
116.96325	0.6
117.06974	0.7
119.08578	2.1
121.06482	2.4
121.10130	59.9
123.11697	30.9
125.13263	0.7
127.03846	0.8
131.97392	2.6
133.10059	0.7
135.08101	0.8
135.11682	39.1
136.11980	0.8
137.13258	1.0
145.10092	1.2
147.11708	1.4
149.02345	6.2
149.13243	64.9
150.13576	1.3
154.98985	1.2
163.11159	0.6
163.14812	6.6
168.01465	0.8
177.12730	2.0
177.16425	0.8
193.74353	0.5
205.08916	1.3
205.12201	4.1
205.19493	100.0
206.19826	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03938	1.0
55.01854	0.7
55.05506	8.3
57.07067	14.2
60.04498	0.9
61.02925	0.8
65.03928	4.2
67.05493	8.0
67.90028	0.7
69.03413	2.1
69.07056	13.2
69.63376	3.7
69.63791	1.3
71.08623	1.5
72.93780	10.6
77.03893	1.2
79.05475	8.1
81.03409	1.0
81.07043	38.3
83.04961	1.6
83.08603	5.4
84.04484	1.2
85.02888	1.5
89.94025	0.8
90.94807	3.1
91.05470	7.0
93.03394	1.6
93.07030	36.5
95.04955	2.2
95.08596	27.3
97.02879	8.0
97.04800	0.9
97.10141	4.6
98.03192	1.7
99.04431	1.3
103.05436	1.1
105.07017	4.4
106.03323	0.7
106.67210	0.7
107.04934	0.8
107.07851	1.6
107.08577	27.3
109.02857	3.2
109.06503	1.3
109.10141	22.3
110.58726	0.7
111.04426	1.6
111.11693	2.0
113.96384	21.0
114.05506	1.3
115.05853	1.4
117.06990	1.2
119.08564	3.1
121.02853	11.0
121.03775	1.4
121.06498	5.8
121.10126	81.9
122.10455	1.9
123.11695	13.0
127.03909	1.9
127.05840	1.0
131.08548	2.4
131.97421	25.8
132.04416	0.7
133.10089	1.7
135.07968	1.3
135.11676	20.1
137.05988	1.0
137.13242	0.9
145.06459	1.7
145.10117	4.7
147.08031	1.5
147.11661	1.2
149.02321	100.0
149.09540	0.8
149.13237	34.0
150.02626	3.6
154.98997	12.9
159.11697	2.9
161.13261	1.1
161.85052	0.9
162.10332	1.1
163.11154	4.9
163.14828	4.3
167.03374	2.6
173.05940	1.0
175.07559	0.8
177.09108	0.7
177.12738	6.1
178.04964	1.2
187.07701	1.1
187.11189	2.2
187.14818	3.0
190.04976	2.1
191.14268	1.6
205.04802	1.6
205.08925	4.3
205.12231	12.0
205.14107	2.6
205.15739	5.3
205.19496	30.1
206.04475	1.1
207.04813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1947
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
55.05505	12.2
57.07060	6.9
65.03910	1.3
67.05166	1.6
67.05494	21.8
69.06713	2.2
69.07056	27.1
70.45608	5.5
72.07902	1.2
72.93769	3.8
79.05470	6.0
81.07045	26.3
82.03830	1.1
83.08587	4.6
91.05479	2.9
93.07030	12.4
95.08592	42.5
97.10156	6.8
97.54946	1.1
105.07031	1.8
107.08589	18.0
109.10138	100.0
110.10455	1.5
111.11699	13.3
113.96377	5.3
119.08591	2.1
120.85802	1.4
121.02866	1.6
121.10128	22.6
123.11675	10.3
131.97408	7.2
135.11673	23.3
135.12680	1.7
137.13297	1.5
149.02322	23.3
149.13246	14.7
153.29204	1.3
154.98988	3.3
163.14793	4.1
184.70549	1.2
205.12141	2.9
205.19493	54.5
206.19803	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	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.69879	0.4
53.03928	1.3
54.04296	0.6
55.01862	0.6
55.05500	6.0
57.03416	1.0
57.03702	0.5
57.07063	7.3
60.04500	1.2
64.06268	0.5
65.03911	1.3
67.05492	7.4
69.03417	1.5
69.06707	0.7
69.07057	7.2
71.08627	0.6
72.93817	0.7
79.05479	7.3
81.03397	1.7
81.07043	28.2
83.04984	1.0
83.08597	2.9
84.04490	1.0
85.02884	1.0
85.04816	1.0
87.04450	0.6
91.05460	5.4
93.07024	22.7
95.04950	2.3
95.08591	17.3
95.09049	0.3
96.04509	0.7
97.02872	4.3
97.04817	1.3
97.10156	3.3
98.03196	0.9
98.20679	1.3
99.04462	1.2
105.07008	3.4
107.04929	0.7
107.08575	22.6
109.02859	2.8
109.06501	1.2
109.10128	18.8
111.07990	0.6
113.96355	1.3
114.05469	0.7
115.05378	1.1
117.06996	2.8
119.08576	3.1
119.97863	1.0
121.02847	3.5
121.03867	0.8
121.06496	3.5
121.10120	12.8
123.11683	100.0
124.12025	1.8
126.05527	0.8
127.05834	1.9
129.06998	0.6
130.04163	0.5
131.08546	1.7
131.97417	2.2
133.10159	1.1
135.08060	1.2
135.11665	57.1
136.12007	2.0
138.05490	1.2
139.05829	3.2
143.08482	0.9
145.06459	3.2
145.10110	4.2
147.08029	1.2
147.11726	0.9
149.02310	29.5
149.05956	1.7
149.09532	0.6
149.13234	21.4
150.02611	1.1
150.13579	0.8
155.05975	0.7
159.08035	0.9
159.11653	3.4
161.05864	0.8
161.13292	0.8
162.10402	1.0
163.11157	2.3
163.14795	2.1
167.03307	0.7
169.06841	0.7
172.08823	0.7
173.05931	2.0
175.07542	1.1
177.12779	3.2
177.16389	1.1
178.15997	0.5
181.97948	0.7
187.07701	1.2
187.11278	2.6
187.14778	1.9
190.09737	0.5
191.14297	1.7
205.06624	1.0
205.08633	5.1
205.12234	10.6
205.14130	1.9
205.15926	4.2
205.19482	17.0
206.04442	0.8
206.08038	0.7
206.12546	1.2
206.19217	0.5
210.23950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03931	1.3
54.23743	0.5
55.05502	7.3
57.07066	6.1
59.01669	0.5
60.04535	0.8
65.03925	1.1
67.05492	9.1
69.03431	1.3
69.07059	10.3
69.63802	0.9
69.64205	3.2
71.08622	0.8
72.93794	3.3
73.55414	0.6
74.06070	0.5
75.70784	0.6
79.05490	7.2
81.03400	0.8
81.07045	27.5
83.08614	4.5
85.02902	1.1
90.94837	1.3
91.05463	3.1
93.07027	25.0
95.04962	1.9
95.08594	23.3
97.02881	4.1
97.10152	4.0
98.03209	0.6
98.21509	1.0
105.06998	2.3
107.08578	25.9
109.02863	1.3
109.06557	0.8
109.10140	20.8
110.10484	0.6
111.11695	1.1
113.96387	8.2
115.05431	0.6
115.93402	0.5
117.06951	0.6
119.08547	1.9
121.02849	2.1
121.06469	2.4
121.10130	15.0
123.11691	100.0
124.12007	2.1
127.03926	0.9
127.05864	1.1
129.07074	0.6
131.08578	0.7
131.97412	7.8
133.10115	0.9
135.11674	59.4
136.11996	1.2
137.13240	0.9
139.05771	0.7
145.06474	0.6
145.10086	2.2
147.08047	1.1
147.11569	0.7
149.02322	15.9
149.05951	1.5
149.13237	34.6
150.02638	0.8
150.13583	1.1
154.98996	3.7
159.11655	1.8
161.13130	0.6
163.11159	2.2
163.14767	3.5
173.05988	0.8
177.12769	3.1
177.16374	1.1
178.05005	0.8
187.11099	0.7
187.14832	1.0
191.14281	0.7
205.08748	2.5
205.12247	8.6
205.14154	1.3
205.15865	2.4
205.19493	29.2
206.08163	0.6
206.19873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1584
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03927	3.7
55.01853	2.7
55.05505	11.2
57.03434	1.6
57.07066	21.6
59.04967	2.8
60.04493	4.0
65.03918	4.2
66.58892	1.5
67.05480	6.8
69.03404	7.4
69.06713	2.0
69.07059	25.2
71.04988	1.9
72.93768	3.0
74.22485	1.5
78.95228	1.8
79.05484	13.3
81.03400	6.0
81.07046	21.1
83.04954	6.1
83.08612	8.5
84.04506	3.5
85.02877	6.0
85.04803	3.0
85.06505	2.3
87.04440	1.9
90.94857	1.8
91.05464	19.2
93.06470	2.0
93.07035	36.0
95.04956	7.3
95.08589	34.2
96.04459	1.8
97.02879	23.6
97.04800	2.2
97.06503	2.2
98.03188	3.2
99.04430	4.0
99.08074	1.9
103.05412	1.8
105.06371	2.6
105.07017	32.9
107.04945	3.1
107.08584	67.6
109.02877	11.9
109.06492	5.0
109.10159	12.1
111.04453	2.2
111.28326	1.5
113.96371	6.3
114.05491	2.7
115.05386	2.1
116.06192	1.6
117.06987	16.2
119.08570	42.0
119.97923	1.9
120.96372	1.6
121.02882	12.5
121.06474	17.1
121.10129	59.8
123.08045	8.5
123.11694	7.3
126.05472	2.4
127.03873	4.9
127.05825	4.3
129.06967	2.3
130.07758	4.8
131.08551	19.8
131.97403	6.1
133.10114	34.0
135.08044	8.4
135.11684	18.6
137.05956	4.8
137.09586	2.2
143.08575	7.3
144.09387	3.5
145.06445	5.8
145.10106	58.1
147.08011	5.3
147.11646	12.2
148.11867	2.0
149.02324	100.0
149.05911	4.8
149.09631	7.9
149.13258	11.8
150.02542	3.4
154.99001	4.8
157.10092	4.4
158.10857	5.8
159.08052	4.4
159.11688	24.3
161.09518	2.2
161.13223	12.3
162.10341	3.1
163.11171	29.1
163.14804	8.6
167.03406	2.8
169.06723	2.0
172.12466	4.0
173.05960	2.3
174.14050	2.1
175.07532	2.6
175.14810	53.6
177.05370	2.6
177.09047	3.1
177.12740	19.6
177.16365	41.8
178.04886	3.4
181.97823	4.2
187.07616	2.2
187.11162	6.9
187.14795	52.9
188.15141	2.7
190.04921	2.0
205.04935	3.2
205.08855	11.9
205.12299	44.8
205.14182	9.1
205.15848	93.9
205.19382	5.7
206.07979	1.6
206.16136	3.4
229.46802	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1584
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03922	2.1
55.05498	10.2
56.71500	1.5
57.07074	8.3
59.13693	1.3
60.04510	2.1
65.03918	2.2
66.48351	1.1
67.05222	1.1
67.05499	14.0
69.03413	2.7
69.07052	17.7
69.39541	3.0
69.39952	9.7
71.04972	1.9
72.93748	2.0
79.05489	9.2
81.03431	3.0
81.07044	73.4
83.04478	1.7
83.04967	31.0
83.08587	3.6
85.02859	2.1
91.05466	16.1
93.07029	21.9
95.04951	6.6
95.05472	1.4
95.08595	38.2
97.02879	12.2
97.04826	1.7
97.10118	2.5
98.03213	1.7
99.04441	2.3
103.05424	2.2
104.48729	1.4
105.07016	59.5
106.07272	1.5
107.04930	1.9
107.08576	23.1
109.02872	9.5
109.06483	2.9
109.10133	7.4
113.96348	2.2
115.05420	2.1
117.06992	9.8
119.08567	56.0
121.02856	2.9
121.06489	9.0
121.10136	19.9
123.08036	1.6
123.11692	65.4
127.03888	1.8
127.05808	1.7
129.06976	3.2
130.07780	4.1
131.08556	38.1
131.97421	2.5
133.10115	39.2
135.08017	6.5
135.11662	7.9
136.44930	1.3
137.05933	2.1
143.08516	5.0
144.09343	4.4
145.06473	3.2
145.10103	76.4
146.10641	1.4
147.08041	2.2
147.11673	20.8
149.02316	29.4
149.05956	3.7
149.09540	2.4
149.13258	5.0
157.10112	3.0
158.10880	6.6
159.11681	17.1
160.12459	1.6
161.13210	4.1
162.10394	2.2
163.11176	7.8
163.14749	1.6
172.08688	1.6
172.12401	3.0
173.13242	28.3
175.14799	70.6
177.12773	9.8
177.16348	17.1
187.11182	4.3
187.13103	2.6
187.14795	48.3
205.04945	2.5
205.06989	1.3
205.08875	7.2
205.12273	23.9
205.15849	100.0
206.04582	1.5
206.16136	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.122
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03944	1.1
55.01871	0.9
55.05496	2.9
57.03410	0.7
57.07058	0.8
67.05503	1.1
69.03415	5.1
69.07047	2.6
69.31094	1.8
69.31518	3.8
69.91874	0.6
71.04987	0.8
79.05470	2.7
81.03400	2.1
81.07048	1.6
83.04968	15.7
85.02877	1.6
91.05463	5.8
93.07027	9.1
95.04940	2.4
95.08591	2.1
97.02862	1.2
103.05437	2.3
105.07016	7.6
107.04954	1.9
107.08556	5.6
109.02868	0.9
109.06522	3.1
115.05413	1.1
117.07008	5.8
118.62673	0.5
119.08559	7.1
121.02863	1.1
121.05643	1.0
121.06487	19.5
121.10130	7.3
123.08039	6.6
127.03915	0.6
129.06981	1.2
130.07738	1.7
130.63156	0.6
131.04863	2.1
131.08548	3.0
133.06451	0.6
133.10091	2.4
135.04382	2.8
135.08020	5.3
135.11685	3.3
137.05948	1.6
143.08511	1.3
144.09317	1.9
145.06398	2.6
145.10097	21.8
146.07234	1.1
147.08023	18.4
147.11671	0.6
149.02321	7.8
149.05952	34.1
149.13226	1.7
150.06358	0.8
159.07967	1.6
159.11662	6.5
161.05930	1.3
161.09610	11.2
162.10379	10.2
163.07484	1.9
163.11150	100.0
164.11484	2.8
169.10011	0.8
172.08864	3.0
173.05910	0.8
175.07521	0.9
175.11116	0.8
177.05379	0.7
177.09070	1.3
177.12729	11.1
187.07419	0.9
187.11154	6.0
187.14716	1.0
190.09857	1.4
205.04869	1.3
205.08578	3.5
205.12198	73.4
206.12527	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01854	2.7
55.05501	5.3
57.07064	1.4
65.03925	0.8
67.05489	2.4
68.99793	1.7
69.03421	15.5
69.07047	2.2
69.63593	5.3
71.04984	1.1
72.29535	0.7
76.31425	0.6
77.03883	0.8
79.05487	3.7
81.03406	3.0
81.07059	3.8
82.04115	0.7
83.04970	4.4
83.14666	0.7
85.02905	1.4
85.06544	1.4
91.05469	18.7
93.07031	35.0
95.04962	7.3
95.08595	1.6
97.02882	1.6
97.06493	0.7
103.05456	2.8
105.04533	1.5
105.07019	12.9
107.04939	1.3
107.08587	6.1
109.02890	1.3
109.06516	2.5
115.05383	1.3
117.06999	7.1
119.08551	8.8
121.06490	100.0
121.10103	5.7
122.06797	1.3
123.08057	4.6
128.06149	1.0
129.06993	2.9
130.07771	2.3
131.04913	0.7
131.08527	5.1
133.06491	1.0
133.10095	3.8
135.08044	8.2
135.11667	4.1
143.08516	1.0
144.09302	4.7
145.06462	1.7
145.10095	12.9
147.07979	3.0
147.11618	0.8
149.02354	5.8
149.04750	1.2
149.05957	25.8
149.09604	2.3
149.13220	1.6
151.07518	3.1
154.07784	0.7
157.10138	0.8
158.07210	0.7
159.08089	1.8
159.11667	19.0
161.09575	3.3
161.13234	0.9
162.10374	1.9
163.11140	10.5
169.10065	1.0
172.08849	3.9
175.11172	3.0
176.60307	0.6
177.09094	0.9
177.12737	12.9
187.07794	0.9
187.11137	8.2
205.12213	80.4
206.12553	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0857
Annotation	Cladoacetal A
Peak:m/z	Relative Intensity
53.03939	0.6
55.01866	0.8
57.07069	0.3
62.48407	0.2
65.03930	0.4
69.03432	0.3
69.07069	0.3
70.72276	0.6
71.04974	0.3
78.04694	0.8
79.05475	3.0
81.03415	0.7
81.07073	0.5
91.05463	4.5
93.03397	0.5
93.07013	1.3
95.04958	0.7
95.08568	0.6
97.02895	0.5
100.00425	0.2
101.06215	0.2
103.05464	2.5
104.06230	1.0
104.95607	0.3
105.07017	9.6
107.08582	0.8
109.02861	0.6
109.10172	0.3
115.05424	2.8
116.06243	1.4
117.07008	2.5
119.08571	0.8
120.05733	0.3
121.02885	0.5
121.06493	0.9
121.10124	0.6
127.03901	0.3
128.06329	0.3
129.06995	1.1
131.04916	3.1
131.08533	1.6
132.05682	0.7
133.06480	3.2
135.11667	0.7
137.05974	0.5
141.06935	0.8
143.08606	0.3
144.05688	1.1
145.06474	4.5
145.10094	2.9
146.07181	0.4
147.04387	2.7
147.08041	0.9
149.02309	3.6
149.13245	0.6
155.06032	0.7
159.08034	1.6
159.11642	1.3
160.05177	18.0
161.05960	33.4
161.13292	0.5
162.06314	0.5
163.11128	0.5
173.05962	2.1
174.06767	0.7
175.07596	1.2
177.05449	0.6
177.09004	0.3
177.12749	0.6
187.07526	4.1
187.11121	0.5
190.06250	0.4
205.08572	100.0
205.12241	2.2
206.08936	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.122
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03930	2.2
55.01855	1.0
55.05499	2.8
57.03414	1.0
57.07063	0.8
60.64795	0.6
65.03962	0.7
65.11860	0.7
66.50547	0.7
67.05489	2.1
68.99772	0.9
69.03415	12.5
69.07025	1.5
69.70432	5.0
71.04983	1.7
74.00732	0.7
75.61293	0.8
79.05478	2.6
81.03416	1.4
81.06570	0.6
81.07044	2.7
83.04977	5.0
83.05425	0.9
84.23053	0.6
84.28989	0.6
85.02878	1.3
85.06527	1.0
91.05466	18.5
93.07031	32.8
95.04955	5.4
95.08572	1.1
103.05439	1.2
105.04500	1.2
105.07019	9.7
105.08802	0.7
107.04932	1.1
107.08579	7.6
109.06513	1.7
113.06069	0.8
117.07003	5.5
119.08559	10.2
121.06486	100.0
121.10104	8.1
122.06834	0.9
123.08066	2.2
128.06194	0.7
129.06985	3.2
130.07755	2.6
131.08553	5.8
133.10120	3.2
135.08044	8.4
135.11684	4.9
143.08559	1.5
144.09305	4.5
145.06459	1.8
145.10103	13.3
147.08038	4.0
149.02327	5.6
149.05951	11.1
149.09584	2.2
151.07512	1.4
158.07234	1.3
159.08054	1.8
159.11665	20.0
161.05917	0.8
161.09579	4.9
161.13219	1.1
162.10381	1.3
163.07513	2.3
163.11159	13.5
169.10016	1.0
171.08121	0.8
172.08839	5.1
175.07483	0.9
175.11166	2.3
177.12738	11.9
181.97948	0.7
187.11159	9.9
190.09814	1.7
205.12210	83.4
206.04514	0.7
206.12538	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0863
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
53.03926	1.7
54.00266	0.3
54.10287	0.4
55.01850	1.0
55.05486	1.2
56.05030	1.7
60.04510	4.5
61.02926	1.9
67.05511	0.3
68.05016	2.1
69.03413	3.8
70.06564	1.3
70.90049	0.9
71.04955	0.9
72.04494	1.2
73.13915	0.3
80.05004	1.6
81.03406	4.3
81.07052	0.3
82.06556	0.6
82.07372	0.3
83.01323	1.0
83.04946	0.8
84.04488	17.0
85.02882	0.8
86.06098	0.4
91.05482	1.0
92.05768	0.5
95.08579	0.7
96.04476	22.2
96.08916	0.5
97.02277	0.5
97.02879	8.9
98.02390	0.5
98.06039	10.2
99.04428	2.1
100.03966	0.5
101.02360	0.4
103.61129	0.4
105.07001	0.9
106.07337	0.9
107.08581	0.4
108.04440	1.0
109.02872	5.5
109.10111	0.4
110.06031	0.9
110.10491	0.6
110.54568	0.3
114.05518	3.5
116.07088	0.5
119.08518	0.7
120.08900	0.6
124.03924	0.8
126.05495	30.8
127.03886	2.7
127.05815	0.5
138.05476	100.0
139.05815	1.3
140.07037	0.8
144.06531	27.5
145.06561	0.4
145.10117	0.4
148.11977	1.2
149.02301	0.7
156.06468	0.3
167.60329	0.3
168.06531	13.8
186.07582	7.0
204.08633	8.2
204.13770	1.8
204.18268	2.7
205.12106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03922	1.2
55.05502	4.6
57.07061	1.1
60.04517	2.7
67.05496	13.3
68.05022	0.6
69.06721	0.5
69.07060	6.5
69.65849	2.7
71.08601	0.4
74.62151	0.4
74.89053	0.4
79.05061	0.5
79.05486	7.7
81.07045	27.6
83.08614	1.8
84.04482	1.6
91.05468	9.1
91.29377	0.4
93.07030	17.3
93.59048	0.4
95.04972	0.4
95.08593	40.0
96.04488	1.8
96.08930	0.5
97.02888	1.9
97.10130	1.0
105.07019	26.6
107.08580	25.8
109.06495	0.5
109.10141	23.4
110.10451	0.5
114.05518	1.9
115.05412	1.1
117.06996	1.7
119.08564	23.0
121.06480	0.7
121.10129	17.2
123.11696	9.2
124.56377	0.4
126.05508	2.5
128.06219	0.9
129.06932	1.1
131.08543	1.5
133.06444	0.6
133.10115	25.1
135.11688	4.2
138.05450	1.7
141.06854	0.4
142.07744	1.1
143.08562	2.3
144.06598	0.8
145.06487	0.7
145.10094	3.7
146.65848	0.4
147.08014	1.4
147.11668	35.4
148.11986	0.7
157.10088	2.2
159.11662	1.6
160.05177	1.9
160.08821	0.5
160.12422	0.9
161.09566	1.2
161.13243	12.8
168.06502	0.7
170.10841	0.7
175.07526	3.6
175.11136	0.6
175.14790	5.5
185.09584	0.7
185.13214	3.7
188.04674	1.3
188.08347	2.1
203.07036	4.5
203.10674	4.5
203.14275	5.5
203.17931	100.0
204.08664	3.3
204.13863	1.6
204.18288	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	203.1791
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
55.05505	6.3
57.03424	1.1
57.07059	1.0
60.04516	13.2
61.02892	1.0
65.03940	0.8
65.05075	0.8
67.05166	1.4
67.05493	17.9
67.98791	0.8
68.05006	4.1
69.03392	1.5
69.07053	13.0
69.44401	7.0
79.05481	8.3
81.03415	1.3
81.06570	1.5
81.07042	21.7
83.08592	3.7
84.04490	9.2
85.02871	2.0
85.46507	0.8
91.05467	17.8
93.07029	18.9
95.08593	88.0
96.04481	8.1
97.02879	9.5
97.10131	1.4
98.20735	1.6
99.67045	0.9
105.07011	57.0
107.08578	19.1
109.06488	1.2
109.10140	31.1
110.06042	2.1
113.52305	1.0
114.05515	12.5
115.03857	0.9
117.06952	2.9
119.08565	33.1
120.96516	1.0
121.10127	30.3
123.11721	6.5
126.05507	16.2
128.06165	2.2
129.07014	1.8
131.08540	3.9
133.10109	61.1
135.11668	3.7
138.05486	2.9
142.07729	3.6
143.08540	11.7
144.06546	3.6
144.47836	1.1
145.06450	2.6
145.10060	6.1
147.08052	1.2
147.11665	45.5
157.10088	3.8
159.07951	1.0
159.11653	2.5
160.08777	2.3
160.12473	4.7
161.09558	2.6
161.13249	17.6
168.06535	2.9
171.08025	5.6
172.08806	2.3
173.05988	3.6
175.07581	1.9
175.11180	2.4
175.14799	6.9
185.09575	2.6
185.13220	2.0
186.07567	1.8
188.08282	26.1
189.11476	1.5
203.03418	1.3
203.06995	3.2
203.09106	1.1
203.10632	46.5
203.14307	5.0
203.17928	100.0
204.08678	15.0
204.10687	1.5
204.13829	3.8
204.18289	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.50069	0.4
55.05508	3.9
57.07060	0.9
57.79890	0.6
60.04516	1.0
65.03931	0.6
67.05493	11.4
68.05004	0.6
69.07060	6.5
69.73714	1.4
69.74123	2.1
79.05042	0.8
79.05473	6.9
81.07047	21.4
82.07372	0.5
83.08606	1.9
84.04469	1.2
91.04945	0.9
91.05470	8.9
93.07035	11.5
95.04960	0.6
95.08596	50.5
96.04476	1.3
96.08908	0.7
97.02905	1.4
97.10127	1.3
103.05477	0.6
105.07021	31.6
107.08583	22.9
109.10143	22.2
109.10901	0.7
114.05533	1.1
115.05383	0.7
117.06959	1.4
119.08569	26.9
120.76127	0.5
121.10127	16.8
123.11689	7.6
126.05485	1.9
126.46362	0.5
131.08517	1.4
133.10115	20.6
135.11673	3.1
138.05472	1.0
145.10089	3.7
147.11670	38.3
148.11951	0.6
157.10059	0.7
159.11682	2.2
160.05211	1.2
160.12431	2.3
161.05949	0.5
161.13232	11.1
171.04247	0.5
173.13237	0.8
175.07579	2.5
175.14813	4.2
188.04698	0.8
203.06976	2.4
203.10632	1.7
203.17934	100.0
204.08694	1.6
204.13881	0.8
204.18272	1.8
213.09193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03919	0.8
53.98338	0.4
55.05304	0.4
55.05502	5.2
56.05023	0.8
57.03421	0.7
57.07056	0.7
60.04517	5.7
61.02898	1.0
62.81026	0.5
65.03903	0.6
67.05491	13.0
68.05019	3.5
69.03409	1.2
69.07057	9.1
70.71182	0.5
73.79578	0.5
74.53481	0.5
77.03908	0.6
79.05481	6.9
81.03381	0.7
81.07043	33.3
82.20591	0.5
83.04967	0.7
83.08593	2.2
84.04485	6.2
85.02875	2.1
91.05461	13.3
93.06464	0.9
93.07030	15.7
95.04932	0.8
95.08592	47.4
96.04481	7.2
97.02876	7.5
97.10140	1.3
98.06016	1.2
103.05393	0.7
105.07015	38.7
107.08578	22.6
108.94868	0.5
109.02850	0.8
109.10139	30.8
110.06023	1.4
114.05517	7.7
117.06987	3.1
119.08562	26.3
121.10121	17.2
123.11687	11.2
126.04659	1.0
126.05499	8.9
131.08533	2.1
133.06505	0.8
133.10115	33.1
135.11653	3.7
138.05466	1.3
142.07722	1.4
143.08521	0.9
144.06549	2.0
145.06412	0.5
145.10094	3.3
147.11662	46.6
148.12186	0.7
156.06534	0.7
157.10094	2.2
159.11682	1.6
160.12416	1.9
161.09610	1.3
161.13245	15.1
168.06575	1.8
175.07581	0.7
175.11131	0.9
175.14787	7.4
179.97769	0.5
185.09608	1.6
185.13190	1.2
186.07599	1.6
188.08304	1.2
203.06989	1.1
203.10640	5.8
203.14230	3.9
203.17926	100.0
204.08655	10.4
204.10577	0.9
204.13838	1.7
204.18327	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05487	6.2
57.07071	2.3
60.04505	6.0
64.00443	1.5
67.05495	15.8
68.05017	3.9
69.07063	13.9
79.05470	6.7
81.03373	1.8
81.07049	23.8
84.04480	7.3
85.02873	2.5
91.05459	15.8
93.07030	15.8
95.04984	1.8
95.08591	37.0
96.04489	8.8
97.02865	12.5
99.04449	1.6
103.05471	1.7
105.07020	40.9
105.07688	1.4
105.89760	1.5
107.08569	28.2
109.10142	32.2
110.06042	2.3
114.05524	9.5
117.07043	1.8
119.08561	38.5
119.75804	1.4
121.10136	16.7
123.11667	4.3
126.05489	11.2
131.08559	3.5
133.09085	3.3
133.10112	46.4
135.11649	5.6
138.05403	2.3
142.07747	3.1
144.06522	2.5
145.10040	3.0
147.11664	45.4
157.10129	3.4
159.11589	2.3
161.13226	16.8
168.06482	2.0
175.11162	1.6
175.14772	8.8
185.09647	2.5
203.06862	1.8
203.10556	8.1
203.14224	5.3
203.17918	100.0
204.08665	10.9
204.13751	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	203.1791
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05500	3.1
57.07059	0.7
60.04523	0.7
67.05161	0.7
67.05496	10.1
69.07053	3.8
71.75243	0.4
79.05483	2.2
81.07049	18.9
83.08605	1.5
84.04487	0.5
91.05453	4.2
93.07030	5.4
95.08593	63.0
96.04468	0.9
96.08893	0.5
97.02889	0.8
97.10165	0.5
105.07017	16.7
107.08578	6.9
108.53692	0.5
108.81612	0.4
109.10140	20.2
114.05491	0.5
117.07027	0.6
119.08564	16.5
121.10122	9.1
123.11688	12.4
126.05527	1.1
131.08527	1.2
133.10115	11.5
135.11700	1.5
138.05524	0.6
145.10110	2.9
147.11667	30.5
148.11998	0.6
159.11646	0.8
160.12497	2.1
161.13245	6.3
173.13268	1.5
174.13972	0.7
175.14809	1.4
188.15556	1.9
203.17928	100.0
204.08614	0.6
204.18285	2.3
219.27399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03935	0.5
55.05503	2.8
56.05015	0.5
57.03405	0.5
57.07059	0.8
60.04519	6.1
61.02925	0.6
64.31810	0.4
67.05168	0.9
67.05495	11.6
68.05020	3.2
69.03422	0.7
69.07053	4.7
69.87007	2.9
79.05475	3.2
81.03399	0.5
81.07047	21.1
83.08619	1.5
84.04496	5.6
85.02884	1.5
91.05457	5.2
93.07030	9.9
94.94926	0.4
95.08595	55.9
96.04478	7.4
96.08899	0.5
97.02873	6.6
97.10146	0.7
98.06021	0.7
103.05467	0.4
105.07017	20.7
107.08583	15.8
109.10137	28.6
110.06004	1.8
111.11700	0.5
112.85658	0.5
114.05527	7.5
117.06978	0.9
119.08564	20.7
121.10120	13.7
123.08054	0.5
123.11689	12.3
126.05505	8.1
127.03848	0.8
129.07024	0.5
131.08569	1.4
133.09084	0.8
133.10107	14.8
135.11685	2.6
138.05495	1.6
142.07745	1.1
143.08475	0.6
144.06531	2.1
145.10075	2.7
147.11664	32.8
148.12161	0.6
156.06519	0.8
157.10098	1.0
159.11696	1.3
160.12430	1.9
161.09613	1.0
161.13246	6.4
168.06544	1.6
173.13260	0.9
175.07437	0.5
175.11150	0.8
175.14798	3.3
185.09584	1.1
185.13269	0.9
186.07614	1.1
188.08313	0.6
188.15562	1.3
189.11427	0.6
203.06979	0.6
203.10619	3.8
203.14207	2.6
203.17926	100.0
204.08649	10.7
204.10388	0.4
204.13809	2.0
204.18185	2.4
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
56.95796	1.0
56.96560	2.1
58.58208	0.9
70.78069	2.4
71.34189	0.9
72.11556	0.8
76.22278	0.9
82.77235	1.0
91.87454	1.2
98.97530	1.1
100.02469	2.4
101.00861	15.4
118.03511	1.5
119.01907	100.0
120.02032	2.3
121.01637	2.8
124.02415	1.9
137.02945	38.8
142.03494	28.2
143.01849	1.4
143.03580	1.3
145.03435	1.3
156.97443	7.3
160.04549	16.1
161.02960	13.6
168.77000	1.0
174.98528	5.6
178.00844	1.2
179.04004	30.8
179.99042	6.5
198.00250	6.8
202.05452	1.3
214.96593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03937	0.7
55.05505	5.8
57.07057	2.8
60.04299	0.5
60.04514	5.4
61.02908	1.4
64.88400	0.6
67.05490	9.5
68.05022	4.2
69.03405	1.1
69.07058	9.0
69.73205	4.4
72.04529	0.6
79.05470	4.0
81.03418	1.0
81.07049	12.0
83.04945	0.7
83.08610	4.3
84.04485	8.8
85.02883	2.1
91.05466	8.6
93.07025	7.4
95.04909	1.0
95.08594	25.7
96.04479	8.6
97.02876	9.6
97.10147	1.6
98.06026	1.5
105.07017	43.9
107.08575	15.6
108.34067	0.5
109.10143	19.2
110.06025	2.5
111.04472	0.6
114.05523	10.3
117.06989	1.7
119.08561	39.6
119.53727	0.6
121.09299	1.0
121.10131	13.9
123.11685	3.5
126.05490	11.9
127.03902	1.1
128.06158	0.7
129.06976	1.4
131.08522	2.2
133.10110	37.4
135.11647	3.1
138.05484	2.9
142.07730	1.6
143.04663	0.7
143.08485	0.8
144.06546	3.2
145.06374	0.8
145.10132	5.2
145.34756	0.7
147.11661	47.4
148.12155	0.9
156.06487	1.2
157.10103	2.9
159.11673	3.4
160.12476	3.9
161.09596	1.7
161.13232	23.9
168.06529	3.2
170.10857	0.6
173.09659	0.7
173.13184	0.9
174.14035	1.3
175.07463	0.9
175.11157	1.3
175.14781	5.2
185.09573	2.5
186.07509	1.5
188.08278	0.7
188.15607	0.8
203.06938	1.3
203.10654	8.4
203.14156	2.7
203.17923	100.0
204.08641	17.0
204.13747	3.0
204.18217	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
71.40106	1.4
76.55746	0.7
82.99828	1.6
85.15865	0.7
87.40675	0.7
94.94929	0.6
98.21408	0.7
100.02473	1.8
101.00864	19.2
118.03494	1.2
119.01905	100.0
119.32156	0.7
120.01997	2.6
124.02441	2.2
132.37099	0.6
133.03342	0.7
136.04547	1.1
137.02939	34.2
138.03023	0.8
139.14723	0.7
142.03485	36.7
143.03627	0.9
160.04539	21.3
161.02945	19.5
161.04225	1.0
165.05054	1.3
166.12646	0.6
178.05582	2.3
179.03987	52.9
180.04099	1.3
184.04584	2.3
193.33473	0.7
197.99178	1.0
199.49974	1.2
202.05589	4.2
214.27150	0.7
220.02000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1635
Annotation	(3Z)-Laurencenyne
Peak:m/z	Relative Intensity
50.99440	0.2
53.03934	0.4
55.05506	1.8
55.82561	0.2
56.05017	0.4
57.07062	0.8
58.99560	0.3
59.93086	0.3
65.03922	0.4
67.05495	11.4
69.03407	0.4
69.07053	1.4
69.55624	2.1
71.04961	0.3
79.05476	2.3
79.21265	0.3
80.71514	0.2
81.07049	2.9
83.08594	0.3
85.01118	2.5
85.02931	0.2
86.00656	0.4
86.09678	0.3
86.99065	0.4
91.05470	2.7
93.07027	4.5
95.08591	100.0
96.08919	1.8
96.73199	0.2
97.08894	0.3
98.09676	0.9
99.04517	0.2
99.08027	0.3
105.07009	4.5
107.08579	6.8
109.10126	1.6
111.08075	0.3
113.04215	1.3
115.05478	0.7
117.06992	3.1
118.96732	0.8
119.07779	0.4
119.08562	4.5
121.10117	4.9
123.08035	0.2
128.06187	0.6
129.06999	0.9
130.07765	1.0
131.08546	5.7
132.01164	0.4
133.10104	2.1
137.09590	0.3
141.06921	0.7
142.02386	0.2
142.07736	0.3
143.08574	1.3
144.09294	0.7
145.10104	10.5
147.11659	0.3
155.08647	0.3
156.04190	0.6
157.10118	1.4
158.07233	0.7
158.10820	0.5
159.11671	9.1
160.07552	0.4
171.11633	0.6
172.12491	0.6
173.05986	0.4
173.09546	0.5
173.13223	1.8
177.97960	0.5
183.13853	0.3
185.06276	0.3
186.06750	0.4
186.13901	0.6
201.05290	0.6
201.09056	3.4
201.12727	0.9
201.16348	26.3
202.04866	0.3
202.08968	0.6
202.16714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0915
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03921	1.1
55.01864	1.3
55.05479	2.3
56.05013	1.4
56.96287	1.1
56.96554	16.2
57.03429	1.2
57.07050	1.0
63.67669	1.0
67.05497	6.0
68.04993	1.1
69.03434	6.1
69.07068	10.2
69.69260	3.2
69.69692	3.3
70.06561	4.3
71.95259	1.4
73.02911	1.6
73.95650	1.2
79.05459	2.9
80.04980	2.7
81.03401	1.5
81.07022	3.7
82.06541	1.9
83.04972	1.5
84.04483	1.7
84.08134	1.1
85.02876	3.2
86.06055	1.8
87.04436	1.2
91.05476	5.4
93.05779	2.4
93.07013	4.2
94.06020	1.0
94.06561	16.1
95.04955	4.4
95.08562	2.2
96.04453	1.4
96.08103	1.8
97.02859	1.8
97.06491	3.6
98.06030	1.5
98.97569	73.9
108.07417	1.4
108.08102	18.6
109.06452	1.8
110.06032	10.7
111.04450	1.1
111.08002	0.9
112.03922	3.1
112.07560	4.0
116.97209	2.2
116.98603	83.8
117.97466	1.0
118.06477	2.3
118.96720	6.7
119.01820	1.2
119.04951	1.2
120.08118	1.4
121.06465	1.5
122.06011	46.2
123.04450	1.4
123.06763	1.2
124.07542	2.7
126.09195	1.1
127.03812	1.3
127.59709	1.0
128.98575	2.2
133.99026	2.3
134.05951	1.2
134.99635	100.0
136.07559	48.0
137.05928	2.9
138.09079	3.4
139.07484	3.7
139.08458	0.9
140.00157	3.3
140.07045	65.5
152.07043	0.9
153.00685	25.6
153.96675	2.1
154.04942	1.0
154.08606	40.9
154.96440	2.3
155.06960	1.2
156.06468	1.3
158.01216	11.1
158.99620	2.4
164.07059	9.2
165.05458	1.6
175.98442	1.2
176.02275	3.8
176.98555	3.1
177.00581	8.0
177.01801	1.0
177.98059	5.7
178.04890	1.5
179.54399	1.1
182.08098	53.5
182.11630	1.8
183.08427	2.6
188.54953	2.5
195.01732	6.9
197.55394	4.5
198.05734	1.2
200.09129	78.4
200.18941	4.8
201.09381	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98615	0.6
55.01854	0.4
55.05492	0.7
56.05014	1.2
56.96285	0.7
56.96557	12.7
57.03416	1.3
57.07041	0.6
57.66893	0.4
61.02911	0.8
67.05512	0.6
69.03417	1.6
69.07047	1.6
69.53147	1.8
69.53573	1.5
70.06580	0.5
70.07377	0.4
71.47318	0.4
71.95262	2.0
72.04487	0.4
73.02901	1.0
81.03381	0.6
81.07034	0.5
85.02893	1.9
91.05436	0.7
95.06070	0.6
95.08553	0.4
96.04482	0.4
97.02876	2.0
98.97570	100.0
99.04454	0.5
99.97915	0.8
101.00859	0.5
102.02220	0.7
109.02856	0.5
110.97585	0.6
116.98603	99.1
117.98986	0.5
118.03503	0.8
118.96734	1.1
119.01888	4.4
120.01988	0.9
120.03307	0.9
121.01654	0.6
122.06047	0.8
123.03169	0.8
124.07536	0.6
128.02321	0.6
128.98601	1.1
130.01010	0.5
131.01866	1.7
133.01646	0.6
133.03455	0.6
134.02988	1.4
134.99638	76.3
135.03163	0.9
136.07565	2.0
137.02940	1.3
137.05952	1.0
137.07928	0.5
140.00160	3.1
140.07051	0.8
143.01912	0.6
145.03400	0.4
146.53830	0.7
147.04460	0.6
149.01151	1.1
149.02867	0.9
153.00693	16.8
153.01787	1.0
153.96649	0.5
154.08586	0.9
158.01225	9.0
158.02745	0.5
158.03030	0.5
158.04588	0.6
158.99657	0.8
159.01602	0.5
159.05017	0.7
160.04472	0.5
161.02881	1.5
168.03590	1.1
172.02829	0.5
172.04517	0.6
175.98576	0.5
176.02299	2.3
176.04039	1.3
176.05672	0.4
176.98453	0.7
176.99007	0.6
177.00662	7.3
177.02095	0.9
177.04105	1.9
177.06017	2.0
177.98085	0.8
182.04506	0.9
182.08061	1.9
183.08412	1.5
188.54922	1.4
189.00708	0.5
191.03885	0.6
195.01733	5.0
195.03290	0.7
195.05038	0.7
197.55440	0.6
199.18839	3.5
200.02338	0.8
200.04037	1.5
200.07207	0.5
200.09021	0.9
200.12799	1.0
201.00679	0.5
218.05038	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	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37988	0.4
53.24120	0.4
54.98656	0.5
55.01871	0.7
56.37551	0.5
56.96555	11.5
56.96839	0.6
57.03436	2.6
58.99869	0.6
59.05002	0.5
61.02913	1.3
62.98355	0.4
67.05511	0.7
69.03419	2.3
70.56324	1.0
71.04976	0.7
71.95252	1.6
73.02912	3.8
77.00897	0.6
81.03384	1.0
81.56931	0.5
82.01405	0.5
84.04499	0.7
84.96031	0.7
85.02889	4.7
95.08623	0.5
97.02879	3.8
98.97572	100.0
99.04398	0.9
99.97900	0.8
100.02470	1.8
100.07578	1.1
101.00848	2.9
102.02233	1.5
105.02180	1.2
108.08077	0.5
109.02876	1.0
110.01289	1.1
110.40119	0.5
110.97560	1.8
114.05510	0.6
115.03918	0.6
116.01242	0.7
116.98605	90.0
117.98973	0.4
118.03506	1.3
119.01896	9.8
120.01978	0.6
120.03281	1.1
123.03242	0.6
126.49731	0.4
127.03896	1.3
128.98573	1.3
131.00162	0.6
131.01889	2.7
133.01636	0.7
133.03424	1.6
134.99640	54.6
136.07555	1.8
137.02925	2.3
138.03325	0.6
140.00183	3.3
143.01848	0.6
143.54192	0.7
144.99794	1.7
145.03398	0.7
145.04979	0.7
146.02266	1.0
146.99608	1.0
147.01326	0.5
147.04912	0.8
149.01149	0.8
149.02873	1.8
149.54231	0.5
151.02736	0.6
153.00696	9.5
153.01810	1.2
154.03474	1.3
155.02827	1.2
156.05104	0.6
158.01234	5.2
158.99617	1.7
159.01453	0.5
159.03085	0.6
159.04993	3.6
161.02882	1.9
163.02716	1.1
164.07036	0.5
165.00728	0.6
168.01407	2.2
168.04501	0.7
170.99640	0.9
172.02768	0.8
172.04539	1.1
173.02917	0.8
176.02278	1.6
177.00677	7.5
177.02393	3.2
177.04239	1.5
177.06056	6.6
179.02312	0.5
179.55243	0.5
182.03035	0.6
182.04521	0.6
183.08505	0.9
186.17868	0.5
188.55748	0.9
189.00679	1.6
190.05573	0.4
191.03944	1.0
195.01781	5.0
195.03394	0.6
195.06895	0.5
200.02281	0.8
200.03998	4.2
200.07591	1.0
201.02351	0.5
204.98088	0.4
214.05559	0.8
218.05124	1.1
218.08626	1.1
219.01715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65886	0.7
53.03939	1.1
55.01863	13.8
55.05496	2.6
56.96559	12.6
57.03430	34.9
58.03752	1.4
58.99845	3.8
59.04979	2.1
61.02919	26.0
61.90164	0.7
62.03244	1.0
63.10939	0.7
65.03904	1.2
67.05486	2.4
68.99771	1.2
69.03422	34.7
69.07052	2.1
70.03732	1.0
70.06588	3.9
70.22995	0.7
70.99822	1.3
71.01332	3.1
71.04984	4.6
71.61296	1.2
71.61665	1.1
71.95241	1.4
72.08134	2.2
73.02907	66.2
73.57941	0.6
74.03249	1.7
74.06063	2.1
74.09711	3.9
75.04467	1.7
77.00896	5.0
78.00981	1.2
79.05463	2.2
81.01898	2.3
81.02964	1.2
81.03408	13.6
81.07027	1.7
82.01407	1.2
82.02680	0.9
82.06555	1.1
82.99844	1.5
83.01326	0.9
83.04967	6.8
83.08573	1.1
84.04505	0.9
85.02892	54.9
86.01468	1.2
86.03210	2.0
86.03682	1.6
86.06038	1.6
86.99316	1.0
87.01879	2.1
87.04464	4.2
88.02657	1.5
88.52700	1.3
89.00843	1.5
90.01537	1.1
90.02426	0.9
91.02360	0.7
91.03965	1.0
91.05448	2.1
93.01884	1.8
93.03391	0.9
93.07024	2.3
94.02648	3.3
94.06551	2.1
94.52768	0.9
94.99833	1.3
95.01930	1.5
95.03424	1.5
95.04947	2.1
95.06039	1.1
96.02410	5.9
96.04461	1.3
97.02331	1.9
97.02876	34.9
97.06500	0.9
98.01356	1.0
98.03172	1.6
98.21037	0.9
98.97570	50.2
99.01891	1.3
99.04449	9.2
100.02505	6.9
100.07592	1.7
101.00866	15.7
101.01558	1.4
101.02531	9.2
101.03427	1.4
102.00954	1.9
102.01563	1.3
102.02346	8.8
102.03347	0.7
102.52442	1.1
103.00609	3.0
103.02409	6.5
103.03172	2.4
103.03912	2.3
104.02496	5.8
105.00350	1.8
105.02107	3.2
105.02832	0.9
106.02673	2.7
107.01749	0.9
107.03465	1.3
107.08543	1.4
108.02387	6.4
108.08116	2.8
109.02829	10.4
109.04951	1.1
109.06504	0.7
110.01296	2.2
110.05991	1.3
110.97565	1.7
111.00803	1.8
111.02116	1.3
111.02912	10.7
111.04440	6.6
111.52949	1.6
112.02756	0.9
112.99137	1.3
113.00859	5.4
113.03410	1.0
113.53194	1.0
114.02406	5.2
115.00623	0.9
115.02380	5.3
115.03196	4.1
115.03934	1.9
116.01266	1.7
116.02038	1.5
116.03915	1.7
116.52179	0.8
116.97209	5.0
116.98605	54.7
117.02119	1.8
117.02894	7.3
117.03688	1.2
117.05477	0.8
118.01105	1.5
118.02765	1.2
118.03542	8.3
118.05496	2.1
118.97285	0.7
119.01900	60.7
119.03574	9.1
119.53251	0.9
120.01946	6.2
120.03179	4.4
120.04153	1.1
121.01658	13.1
121.03464	4.5
122.03497	6.9
122.06015	3.1
122.53745	0.8
123.02895	10.0
123.52907	1.3
124.02792	1.5
124.03693	2.7
124.07581	1.4
125.01668	0.9
125.03575	1.1
126.00717	0.8
126.02391	1.8
126.03336	3.2
127.01556	0.7
127.02382	1.5
127.03933	17.7
128.02260	1.5
128.03925	0.8
128.98584	3.8
129.02022	0.9
129.02899	7.5
129.03969	3.2
129.53018	1.6
130.02766	1.5
130.03659	4.9
130.04611	1.0
130.53816	1.0
131.00241	1.7
131.01886	44.7
131.03523	1.7
131.04483	1.3
131.99524	1.1
132.01906	7.3
132.03407	10.8
132.05060	1.7
132.53508	1.1
133.01648	4.5
133.03441	17.5
134.02103	1.6
134.02899	5.7
134.04875	1.1
134.05978	2.6
134.99638	50.4
135.02939	4.2
135.04915	1.2
135.52951	1.4
136.03650	1.7
136.07564	23.1
136.53706	1.2
137.02930	14.4
137.05975	2.2
138.03412	15.2
138.09181	0.9
138.53487	3.6
139.02519	5.2
139.04094	3.4
139.05048	0.8
139.54355	1.1
140.00150	1.5
140.02284	0.9
140.04706	2.6
140.07019	4.0
141.02953	1.5
141.03148	0.9
141.04018	4.2
141.05464	8.1
142.03554	3.9
143.00185	1.6
143.01871	22.4
143.54198	1.1
144.02046	2.2
144.03381	14.9
144.53506	2.5
144.99785	3.0
145.01660	0.9
145.03375	19.8
145.05132	4.2
146.02252	2.4
146.03345	1.7
146.04945	3.7
146.05957	1.0
146.99612	3.2
147.01379	5.1
147.03058	1.5
147.03943	8.4
147.05003	8.4
147.54102	1.3
148.00374	0.7
148.01430	5.2
148.03741	2.2
148.04747	2.0
149.01125	3.1
149.02942	13.7
149.04640	1.7
150.03345	4.2
150.53268	0.9
151.02536	1.3
151.04391	5.3
152.05856	1.4
152.07001	11.8
152.96924	1.2
153.00673	12.8
153.01866	2.7
153.03964	15.4
153.05318	1.1
153.10233	0.8
153.54034	2.7
154.03526	4.1
154.04738	2.7
154.08607	3.0
154.54799	1.3
155.01811	15.4
155.02708	1.8
155.03752	1.6
155.05545	1.7
156.02121	2.1
156.03499	2.1
156.97476	1.6
157.01572	1.2
157.02132	1.2
157.03404	16.2
158.01207	7.4
158.03241	1.9
158.06651	0.9
158.54810	1.3
158.99646	2.3
159.01263	1.1
159.03110	2.3
159.03894	0.7
159.05022	5.7
160.02116	1.0
160.04726	2.5
161.02928	47.9
162.03098	6.6
162.04422	8.3
163.02710	3.5
163.04242	4.8
163.08635	9.9
164.07039	13.3
165.00739	1.2
165.02452	1.6
165.04015	3.1
165.06059	2.0
167.00560	1.2
167.01830	6.2
167.05505	1.8
167.55779	0.9
167.57085	1.1
168.01398	4.0
168.04456	1.9
169.03429	10.0
169.04948	15.9
170.03410	3.0
170.05260	1.3
170.06824	0.8
170.08127	3.0
170.99609	1.9
171.01498	1.7
171.03120	14.8
171.04999	2.4
172.02727	3.1
172.04791	2.5
173.02931	43.9
173.04501	1.7
173.55257	1.0
173.97072	0.9
174.03069	7.3
174.04478	4.3
174.54509	1.5
174.98531	1.6
175.01195	1.1
175.02727	3.2
175.04494	10.2
175.98502	4.4
176.02293	2.9
176.04257	5.6
176.05826	4.4
176.07704	1.5
177.00685	5.6
177.02419	5.7
177.04720	1.0
177.06125	5.4
178.04878	2.5
179.02072	0.9
179.03903	2.0
181.03229	0.7
181.05170	3.5
181.06982	1.1
181.09711	15.5
182.08102	100.0
183.05176	5.2
183.08383	1.0
184.04578	3.2
185.01335	1.4
185.02934	28.9
185.04559	1.3
186.03105	5.0
187.02866	1.3
187.04378	7.7
188.07671	1.0
189.00658	2.4
189.02301	1.2
189.04170	1.5
189.05988	1.2
190.05759	2.3
191.02278	1.1
191.03947	7.4
191.07559	1.3
192.05594	5.2
192.55624	2.0
193.00166	1.0
193.03738	2.2
193.05646	2.0
194.00464	1.5
194.02045	1.3
194.04980	1.8
194.06779	1.8
194.55774	1.3
195.01659	2.3
195.03465	2.2
195.07115	4.8
196.04495	2.1
197.02963	2.6
199.00925	1.1
199.02754	1.2
199.04523	3.4
199.06206	3.2
199.07983	1.3
199.10759	18.0
199.18892	14.2
200.04041	7.0
200.07518	1.1
200.09090	2.3
201.00748	1.1
201.06053	2.3
203.02315	1.1
203.03976	20.3
204.04173	3.1
205.03873	1.5
205.05611	3.0
208.04457	2.0
209.03026	1.2
211.04617	2.4
211.06790	1.1
213.02377	0.9
214.03134	0.8
214.05496	1.0
215.03917	5.2
216.99667	1.0
217.01947	1.6
217.05537	3.7
217.07330	1.0
218.05089	1.2
218.08752	2.0
219.01749	2.2
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
55.05500	1.5
56.05019	2.1
56.96555	3.2
57.04549	0.6
57.93538	2.3
69.07037	1.8
69.28869	0.6
69.66765	4.9
72.04512	0.8
74.09692	2.2
75.94587	1.7
98.00868	0.8
98.62190	0.6
98.97572	33.9
99.04447	0.8
99.05562	1.2
100.02462	3.1
100.07578	0.8
101.00880	3.0
111.04405	0.8
116.01936	13.9
116.96378	1.0
116.97233	21.1
116.98592	31.8
118.03503	11.4
119.01899	19.8
119.03603	0.7
120.01987	1.3
121.01643	1.8
127.06599	0.6
131.99506	5.5
132.05040	1.2
133.04541	0.8
134.02969	100.0
134.04710	3.0
134.95851	1.7
134.99641	21.6
135.03065	2.3
136.04506	6.7
137.02934	10.2
138.03108	0.9
139.03517	2.0
140.00211	1.2
142.03549	1.2
148.96161	1.9
150.06091	1.5
152.04015	17.6
152.05917	1.6
152.96893	6.1
153.00685	4.4
154.13522	0.6
157.03329	1.3
157.04572	20.7
157.97482	1.3
158.01256	3.3
158.02972	6.6
158.04262	0.8
158.04813	1.1
160.04527	1.7
170.97955	1.3
172.04576	1.4
174.06223	0.5
175.04221	1.1
175.05618	8.5
175.97337	0.4
175.98503	19.2
176.02347	3.5
176.04036	33.0
176.05815	9.9
177.00810	2.0
178.05565	1.0
180.06065	0.7
181.04655	1.1
190.67830	0.6
193.06723	2.9
194.03384	1.3
194.05104	20.1
194.06903	3.2
195.01782	0.7
195.05176	0.8
199.00256	0.9
199.03940	1.3
199.05634	7.2
199.11807	0.9
199.18863	15.5
200.03998	0.7
217.06778	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	198.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01631	0.8
55.01866	7.5
55.05502	8.0
56.96565	5.1
57.03430	21.4
57.07060	3.0
58.99836	6.2
59.04997	1.7
59.15282	0.8
59.99960	1.1
60.08162	2.1
61.02916	26.1
67.01821	1.0
67.05478	3.0
68.99759	1.2
69.03421	32.7
69.07054	4.7
70.03744	1.0
70.06557	1.3
70.99834	2.1
71.01347	2.0
71.04976	2.0
71.08594	1.4
71.60741	0.8
71.61153	1.1
72.93766	1.1
73.02904	18.4
75.04436	1.2
77.00893	5.9
81.01891	1.6
81.03412	5.5
81.07032	0.9
82.01424	13.1
83.04986	5.8
83.08611	5.0
84.52879	0.9
85.01406	8.8
85.02891	65.2
86.03178	1.3
86.06052	1.0
87.00877	1.1
87.02804	0.8
87.04430	2.0
88.02648	3.1
89.00862	1.3
90.34409	0.8
91.03911	2.1
93.01889	1.3
93.07005	1.5
94.02649	1.8
95.01291	2.7
95.01905	1.7
95.03440	2.0
95.04949	2.1
95.06066	7.1
96.02428	2.2
97.02872	16.7
97.06505	1.1
97.10136	2.2
98.97569	2.3
99.02930	0.9
99.04433	4.1
100.02466	83.5
100.07589	1.2
101.00864	9.6
101.02471	3.3
102.00922	2.1
102.02369	7.8
103.00601	2.3
103.02432	62.3
104.02494	2.1
105.00359	1.8
107.08568	0.9
108.02383	2.4
109.02817	5.2
111.02908	6.5
111.04421	3.5
113.00856	6.3
113.02341	11.6
113.03570	1.2
114.03292	1.3
114.04015	1.0
115.02406	4.4
115.03854	1.8
116.97177	2.0
117.02175	1.1
117.02917	3.6
117.03882	1.8
118.03503	73.1
119.01012	1.9
119.01885	36.2
119.03600	3.2
120.01962	9.0
120.03386	6.6
120.53523	1.6
121.00060	0.8
121.01672	7.6
121.03463	51.6
122.05999	1.5
123.02887	3.2
123.03993	3.4
126.04015	13.4
127.03075	1.7
127.03904	21.2
128.03090	1.7
128.03934	1.4
129.00287	4.4
129.02994	1.5
129.03935	4.4
129.05443	2.4
130.03683	2.5
131.01886	37.7
131.03416	1.5
132.02014	2.3
132.03418	2.1
132.05067	2.2
133.01646	5.8
133.03412	9.6
134.03500	0.9
134.05974	2.3
135.02980	2.8
135.04999	1.9
137.02789	4.6
138.03432	5.0
138.53485	1.1
139.02449	1.4
139.04129	2.0
141.03918	2.1
141.05064	2.9
142.03485	1.0
142.96498	2.3
143.01862	9.9
144.01880	1.3
144.03372	2.0
144.05045	25.2
145.02426	1.5
145.03419	8.7
145.04939	17.5
146.04083	1.3
146.99573	1.4
147.01346	36.3
147.03914	4.5
147.05052	3.9
147.54027	1.7
148.01399	1.4
149.02921	21.4
149.04720	1.4
150.03305	1.2
150.96832	1.1
152.01903	6.3
152.07034	3.6
153.02052	2.5
153.03932	2.5
154.03497	14.2
154.13356	2.5
155.01868	5.9
155.03603	1.4
157.01604	3.0
157.03427	9.0
159.01373	1.4
159.05022	2.7
160.02003	1.3
160.97560	2.1
161.02902	24.8
162.03035	2.0
162.04469	1.0
162.07596	1.0
163.02826	0.9
163.04523	2.2
163.05965	5.2
165.02502	5.8
165.03778	1.4
167.01877	1.8
168.02591	1.1
168.99875	1.4
169.03404	3.2
170.02957	100.0
171.01613	1.5
171.03156	7.4
171.04985	3.1
172.04498	9.3
173.02950	16.4
173.04483	1.7
174.03036	2.0
174.98811	1.5
175.00876	5.2
175.02711	5.7
175.04491	11.5
175.06041	1.1
176.04462	1.1
177.02463	2.1
177.05981	3.5
179.03983	1.8
180.05075	1.0
180.06557	3.8
180.08632	2.0
182.08119	3.6
184.04504	3.3
185.02924	11.7
186.04872	1.2
186.06395	5.1
187.00832	2.5
187.04492	4.1
188.01021	1.4
188.04161	3.7
189.02554	2.8
189.04457	2.0
191.03998	1.4
193.00146	3.5
193.01904	5.8
193.04448	2.2
197.02919	1.3
198.00673	1.1
198.02449	4.6
198.04031	2.0
198.05948	1.5
198.07564	9.6
198.18498	98.3
201.02380	1.4
203.03955	8.0
205.05602	1.4
207.03450	2.5
207.05292	2.1
215.00330	2.1
215.03992	1.5
216.01628	1.8
216.03560	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1534
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.01861	1.2
55.05504	25.1
56.47187	0.8
57.03432	5.4
57.07058	3.0
63.30708	0.8
67.05165	1.6
67.05495	22.7
69.03409	1.3
69.07059	29.2
70.29226	1.3
70.29564	4.3
70.95852	5.5
71.04975	11.0
72.93773	1.6
73.06548	2.1
77.03902	0.8
78.12943	0.8
79.05047	1.3
79.05482	15.2
80.44421	0.9
81.07046	75.1
82.07377	1.1
83.04978	6.9
83.08134	1.4
83.08605	23.9
85.06530	12.4
87.04441	1.1
91.05469	16.3
93.07034	20.5
95.04945	2.4
95.08595	100.0
96.08958	0.9
97.06520	20.2
97.10152	11.4
99.08069	6.7
101.05975	1.4
105.07018	24.7
107.08584	14.2
109.06496	6.0
109.10144	7.7
111.08065	5.2
111.98466	4.9
112.40999	0.9
113.09636	2.2
114.94788	1.5
115.07544	2.5
117.06998	1.6
119.08566	43.2
121.10123	13.4
123.08046	9.7
127.07558	2.3
129.99512	3.2
132.95850	8.8
133.10114	28.6
134.10445	1.1
135.11673	28.3
137.05942	1.7
137.09637	4.3
137.13234	32.0
141.09106	3.4
150.96860	13.0
151.03922	0.9
151.11180	2.2
151.14801	1.3
155.97398	8.4
159.11603	1.1
161.13235	96.6
162.13599	2.0
173.98474	13.1
179.10837	2.0
179.14291	60.3
197.00139	2.6
197.11705	2.2
197.15344	13.0
198.18506	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	197.1169
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.27913	0.6
53.03926	2.2
55.01847	2.3
55.05488	3.1
57.03402	1.6
57.07065	4.8
59.04973	1.5
65.03904	1.2
65.50624	0.7
66.40499	0.6
67.05492	6.6
68.99770	2.0
69.03400	1.7
69.07039	2.7
70.02618	3.7
70.95851	6.0
71.04959	2.0
72.93769	2.7
73.02871	1.8
74.72677	0.7
79.05476	6.7
81.03383	3.5
81.06637	0.9
81.07045	10.7
83.04929	1.1
83.08575	1.6
85.06515	2.7
91.05458	15.2
93.07018	17.3
95.04957	8.3
95.08579	5.0
97.06523	1.8
99.08099	0.7
105.03351	1.8
105.07018	18.6
107.04901	1.4
107.08577	55.6
108.08882	1.5
109.06499	8.8
109.10147	7.1
111.04373	1.0
111.08092	1.0
111.98472	6.7
113.08257	1.2
119.04935	3.2
119.06016	1.0
119.08562	8.6
121.06470	3.7
121.10125	4.7
123.04401	1.8
123.08099	1.8
123.11672	3.8
124.77309	0.8
125.05939	3.0
125.09589	1.5
129.99487	2.5
131.08521	1.8
132.95834	9.0
133.02826	5.2
133.06413	1.0
133.10109	48.4
134.10431	1.4
135.04384	0.7
135.11668	38.3
136.12012	1.1
137.05962	10.9
137.08182	1.0
137.09612	4.0
138.06693	1.0
139.07475	1.0
141.05458	4.7
141.06989	1.3
143.08559	1.2
146.07205	1.1
149.09610	1.5
150.96875	16.8
151.03908	6.5
151.07541	1.2
151.11153	9.5
153.05389	1.3
153.09048	1.7
155.97386	7.3
161.09593	23.9
161.13245	0.8
165.05476	5.8
167.10652	6.7
169.06447	1.9
169.10042	1.0
173.15552	0.7
173.98482	16.9
179.07204	1.9
179.10645	79.7
180.10959	0.9
197.00021	1.5
197.05928	2.9
197.07874	3.5
197.11699	100.0
198.12015	2.6
198.18497	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	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03731	0.8
53.03940	9.7
55.01851	2.9
55.05302	0.6
55.05500	7.9
57.03422	1.8
57.07068	19.1
60.42601	0.8
65.03927	2.3
67.05496	11.7
68.99802	0.8
69.03410	2.5
69.07057	6.4
69.68118	5.0
70.95853	7.1
71.01331	2.1
71.04979	2.1
72.93774	3.7
73.02889	1.0
79.05485	8.2
81.03405	18.1
81.06568	1.4
81.07047	27.4
83.04969	2.1
83.08598	2.0
85.06533	7.9
85.10109	1.0
88.96894	1.2
90.94821	0.8
91.05468	13.2
93.07034	10.4
95.04957	12.3
95.08597	9.3
97.02858	1.4
97.06512	5.5
97.10174	1.0
99.04478	0.9
105.03367	3.0
105.07014	14.4
107.04959	2.1
107.08575	13.7
108.05701	1.6
109.06494	15.0
109.10155	6.9
111.08080	1.3
111.98461	6.7
115.05429	1.0
117.06973	1.0
118.07753	0.8
119.04928	3.2
119.08562	2.5
121.06493	1.2
121.10112	1.9
123.04419	3.0
123.08041	2.0
123.11684	6.3
125.05961	12.6
125.09603	1.3
128.06226	0.9
129.99474	3.3
131.08580	1.5
132.95824	8.8
133.02820	4.6
133.10104	15.8
135.04384	1.6
135.11644	4.2
137.05965	17.1
137.09610	1.7
137.13225	1.1
139.11153	1.2
141.05449	29.1
143.08519	1.8
149.09659	0.9
150.96873	19.3
151.03880	5.7
151.07538	1.6
151.11172	18.4
153.05441	2.5
154.06224	2.4
155.10654	1.2
155.97417	8.9
156.09338	0.8
161.09578	6.3
165.05464	7.4
167.07059	1.6
167.08467	0.8
167.10660	2.5
168.97903	1.0
173.96938	1.1
173.98466	19.4
179.07158	1.4
179.10646	44.6
180.11028	1.5
182.10930	0.8
191.99422	0.9
197.00056	1.5
197.08015	4.7
197.11705	100.0
198.12085	2.6
198.18507	20.3
219.80421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1169
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
51.21893	0.3
53.03939	0.7
53.14259	0.4
55.01865	1.6
55.05488	1.9
55.93489	0.3
56.26852	0.4
57.01862	0.4
57.03415	0.7
57.07089	0.5
61.02912	1.7
61.64516	0.4
65.03936	0.5
67.05496	2.9
68.99776	0.6
69.03421	1.6
69.07059	2.2
69.29581	0.4
70.95851	3.6
71.01323	0.6
71.04978	1.3
71.62125	0.7
72.93777	1.7
73.02909	1.4
77.03873	0.4
79.05479	7.9
81.03425	0.6
81.07042	8.5
83.04954	1.0
83.08597	0.8
85.02888	0.6
85.06523	0.9
87.04475	0.4
88.96886	0.7
90.94788	0.5
91.04898	0.6
91.05460	13.4
93.07033	15.7
94.04223	0.5
95.04949	2.5
95.08589	5.4
97.06526	1.6
98.06051	0.5
99.04410	0.7
99.06331	0.4
99.08054	0.5
103.05443	0.7
105.03386	0.9
105.07013	25.1
107.04948	1.2
107.08575	100.0
108.08902	1.9
109.06498	5.6
109.10129	5.8
110.10493	0.6
111.04416	0.5
111.98448	2.9
113.08234	0.5
113.96378	0.4
115.05407	0.7
117.07007	0.8
119.04936	2.2
119.06020	0.5
119.08563	14.5
121.06481	2.5
121.10126	15.2
122.03719	0.4
123.04420	0.6
123.08057	2.0
123.11659	3.6
125.05952	1.4
125.09617	1.5
128.06190	1.2
129.99452	1.9
131.08563	3.2
132.05656	0.5
132.95804	5.2
133.02829	1.6
133.06447	1.0
133.10106	58.5
134.10455	0.9
135.04375	0.4
135.11670	2.8
137.05957	6.2
137.09598	3.2
137.13177	0.4
139.07523	4.5
143.08476	2.3
146.07231	1.1
149.09589	10.7
149.10719	0.7
150.96861	9.1
151.03951	2.0
151.04974	0.6
151.07529	4.2
151.11154	20.1
153.05479	0.8
155.97400	4.1
161.09592	17.1
161.13229	0.5
162.10027	0.5
165.05409	2.6
167.10646	33.9
168.10936	0.9
168.97920	0.5
173.98463	9.5
174.98528	0.4
179.07228	0.9
179.10641	43.4
179.16893	0.7
180.10997	1.4
197.00063	0.8
197.08116	2.4
197.11702	76.1
198.12033	2.0
198.18498	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	197.1169
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03924	2.4
55.01851	2.4
55.05491	5.5
57.03412	3.6
57.07055	2.1
59.04978	0.9
61.02899	1.1
65.03938	1.2
67.05490	7.8
68.99776	4.2
69.03403	2.8
69.07060	4.7
69.40992	1.5
69.41401	6.0
70.95851	15.2
71.04977	1.7
72.93772	7.7
73.02908	4.4
74.39955	0.9
77.03925	1.0
79.05471	11.8
81.03390	1.7
81.07042	11.8
83.04977	3.1
83.08598	2.4
85.06520	1.6
85.10159	1.7
87.04436	1.2
88.96884	3.7
90.94820	2.0
91.05462	13.4
93.06468	1.1
93.07031	19.6
95.04966	8.0
95.08588	7.3
97.06509	3.0
99.04433	1.8
103.05432	0.8
105.03371	39.1
105.07009	27.5
107.04930	2.4
107.08574	100.0
108.08917	1.9
109.02866	1.0
109.06481	9.3
109.10143	9.4
109.59650	0.8
111.04409	2.4
111.08083	1.3
111.98454	17.0
113.08229	3.3
113.96360	2.1
114.94778	1.5
117.06960	1.0
119.04922	3.9
119.08559	14.9
121.06493	3.0
121.10125	17.8
122.07097	1.0
123.04399	4.0
123.08044	3.6
123.11675	3.6
125.05935	3.7
125.09590	2.9
128.06187	0.8
129.99484	9.8
131.08521	2.5
131.97397	1.3
132.95804	26.1
133.02841	4.1
133.06471	2.1
133.10109	57.9
134.10446	2.9
135.04382	2.1
135.11690	3.9
136.05231	0.9
137.05954	9.9
137.08189	1.3
137.09575	5.8
138.06680	1.3
139.03920	1.0
139.07523	6.0
141.05396	1.2
143.08543	2.8
149.06062	1.1
149.08524	1.2
149.09595	11.4
150.96860	49.4
151.03882	15.4
151.07503	5.5
151.09937	1.3
151.11154	20.7
151.97165	0.8
153.01054	1.3
153.05440	4.0
153.09070	2.8
154.06218	2.0
155.07121	1.0
155.09305	1.8
155.97398	25.6
161.09592	17.5
162.05568	1.2
165.05457	7.4
167.07005	1.5
167.10643	31.7
168.97896	2.3
169.08635	1.4
169.09985	0.9
173.98468	47.5
174.98793	1.5
179.07108	6.8
179.09288	1.9
179.10632	47.3
180.06471	0.8
180.11050	0.9
182.05746	1.6
191.99586	1.3
197.00076	4.7
197.08018	8.9
197.11707	78.3
198.12073	2.8
198.18492	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03940	0.8
55.01863	1.6
55.05507	3.1
57.03418	1.2
57.07060	0.5
59.04994	1.0
61.02915	1.9
65.03931	0.8
67.05502	3.6
69.03421	1.7
69.07059	1.8
69.37678	4.3
70.28347	0.4
70.95859	3.2
71.04985	1.1
72.93774	1.4
73.02918	2.5
76.24741	0.4
77.94170	0.4
78.39549	0.5
79.05485	6.4
81.03403	0.9
81.07045	10.0
83.04974	1.0
83.08633	0.5
86.05984	0.5
87.04474	0.7
88.96884	1.1
90.94850	0.6
91.05472	13.7
93.07032	18.3
93.07623	1.0
95.04946	3.2
95.06039	0.5
95.08589	4.9
97.06525	1.6
99.04420	0.6
105.03365	1.7
105.07015	27.7
107.04929	1.1
107.08578	100.0
108.08917	1.7
109.06499	6.7
109.10143	5.9
111.04417	1.1
111.08097	0.7
111.98475	3.3
113.08198	0.5
115.05482	0.4
117.06992	0.8
119.04922	2.7
119.06068	0.5
119.08563	15.3
121.06513	2.4
121.10124	17.0
123.04404	0.8
123.08094	2.6
123.11681	3.8
125.05982	3.5
125.09609	1.9
127.03919	0.6
128.06197	1.0
129.99500	2.7
130.08081	0.4
131.08559	2.9
132.05692	0.7
132.95808	6.0
133.02838	2.5
133.10109	61.1
134.10440	1.8
135.07974	0.8
135.11676	3.3
137.05962	10.0
137.09589	3.2
138.06577	0.6
139.07524	4.1
143.08546	3.2
146.07214	1.2
149.09598	10.0
150.96872	11.8
151.03893	6.4
151.04999	0.6
151.07532	4.5
151.11165	21.0
153.01068	0.5
153.05447	1.2
153.09050	0.6
155.97404	4.8
161.09598	17.9
165.05432	2.8
167.10655	30.6
168.10994	0.8
168.97911	0.5
169.08612	0.5
173.98465	10.6
179.07042	1.7
179.10645	43.4
180.11038	1.0
197.00027	0.4
197.08047	3.1
197.11700	71.6
198.11993	1.9
198.18523	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	197.1169
Annotation	Phenol A
Peak:m/z	Relative Intensity
53.03940	3.0
55.01870	0.7
55.05507	0.9
55.93520	0.5
56.33892	0.4
57.03422	1.3
59.04989	1.0
67.05499	3.4
68.99780	1.4
69.03400	0.7
69.07047	1.7
70.95853	4.0
71.04980	1.1
71.06284	1.2
71.09564	0.4
72.93777	1.7
73.02905	1.1
77.03905	0.8
79.05486	4.9
81.03391	0.6
81.07035	3.1
83.04959	0.8
83.08607	0.6
85.06500	0.6
88.96873	0.6
90.94785	0.5
91.05468	7.7
93.07030	10.1
95.04955	11.3
95.08597	1.7
97.06513	0.6
99.04396	0.6
105.03377	100.0
105.07011	11.1
105.07740	0.5
106.03716	1.9
107.04950	0.7
107.08577	27.4
109.06516	4.1
109.10152	2.9
111.08083	0.8
111.98473	2.8
113.96346	0.5
119.04936	1.3
119.06115	0.5
119.08545	3.9
121.06516	2.7
121.10146	0.9
123.04417	5.7
123.08032	1.1
123.11671	1.9
125.05969	1.5
129.99512	1.7
131.08566	0.9
132.95844	4.7
133.02832	1.2
133.06494	0.5
133.10110	26.5
134.10483	0.9
135.08043	0.7
135.11670	20.9
136.12053	0.4
137.05969	3.6
137.09616	2.8
139.07605	0.5
143.08536	0.5
147.04398	0.6
150.96887	9.4
151.03885	3.6
151.11218	2.4
153.05452	0.8
153.09076	1.0
155.97368	3.4
158.86659	0.4
161.09598	14.2
161.72047	0.4
165.05525	1.1
167.06984	0.5
168.97859	0.6
172.02032	0.4
173.98457	7.3
179.07115	5.5
179.10648	41.8
180.10870	0.9
193.27846	0.4
194.69327	0.4
197.04425	0.5
197.07988	1.3
197.11703	35.8
198.11943	0.5
198.18495	5.1
200.54955	0.4
210.47198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1169
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
50.81522	0.9
51.73032	0.9
53.03732	1.0
53.03934	10.5
54.32237	0.9
55.01863	5.3
55.05504	14.2
56.96531	1.5
57.03425	2.5
57.07068	21.1
57.31902	1.1
58.21471	1.0
58.33454	0.9
59.04974	1.0
64.86258	1.0
65.03919	2.8
65.81301	0.9
67.05490	18.0
69.03410	3.0
69.07055	11.4
70.06506	1.0
70.18490	0.9
70.95834	15.3
70.96168	1.6
71.01350	1.0
71.04989	5.1
71.08614	2.4
71.57389	1.0
72.93781	10.2
73.02877	2.6
77.03869	1.1
79.05479	14.3
81.03403	17.5
81.07041	44.0
83.04951	4.3
83.08592	6.6
85.06528	10.1
86.06013	1.4
88.96866	3.3
90.94814	1.9
91.05473	18.7
93.07033	13.4
94.04146	1.5
95.04946	14.5
95.08581	14.7
97.02860	2.0
97.06508	8.2
97.10143	2.8
99.04435	2.6
99.08080	1.6
100.07610	1.2
105.03377	4.7
105.07013	16.4
107.04868	1.8
107.08578	19.6
108.05685	1.1
109.02847	1.3
109.06504	23.6
109.10139	10.9
110.03721	1.3
111.04413	3.4
111.08047	3.2
111.98460	18.2
113.05972	2.1
113.96359	4.0
119.04918	4.8
119.08556	4.0
121.06563	1.4
121.10122	3.8
123.04404	3.5
123.08050	4.2
123.11687	8.8
125.05964	13.3
128.06216	2.3
129.99498	12.1
131.08592	2.1
131.97427	2.4
132.95813	20.9
133.02834	8.6
133.10107	23.3
135.04349	1.4
135.11682	7.7
137.05957	26.3
137.07033	1.5
137.09573	2.6
138.06587	0.9
139.07591	1.1
139.11153	1.6
141.05438	29.9
141.09055	1.3
143.08537	2.4
146.07204	1.3
149.09549	1.0
150.96866	58.9
151.03891	11.3
151.04980	2.0
151.07524	1.6
151.11151	24.5
153.01083	1.3
153.05414	3.4
153.06741	1.2
153.12746	1.1
153.57193	2.5
154.06230	3.8
154.07631	1.1
155.06894	1.4
155.08446	1.6
155.97398	25.2
161.09625	9.1
161.13303	2.3
162.57787	2.5
165.05461	9.1
167.07048	2.2
167.08473	1.2
167.10623	1.4
168.97913	3.1
169.08655	1.9
169.10049	2.2
173.98473	54.0
174.08629	1.4
174.98697	1.5
179.07118	4.9
179.10640	43.9
179.14240	2.7
179.18098	1.0
180.10994	1.0
182.05794	1.1
182.10835	1.7
191.99417	1.8
197.00066	8.3
197.06093	2.1
197.08025	9.2
197.11697	100.0
197.13179	5.6
197.18987	1.9
198.12085	1.8
198.18498	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0806
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.97099	0.3
53.03938	0.4
55.01865	3.1
55.05508	0.4
58.84176	0.3
60.59323	0.3
65.03931	1.0
67.05514	1.8
69.03428	0.4
70.02496	1.4
70.95850	2.6
72.93776	1.4
73.02909	21.7
76.17609	0.3
77.03930	0.4
79.05489	0.8
81.07037	0.5
83.04953	0.3
88.96879	0.4
90.94814	0.3
91.05476	3.5
93.03397	0.7
93.07024	0.5
94.04188	0.3
95.04968	1.6
97.06490	0.4
98.21467	0.6
105.03381	1.3
107.04922	0.4
107.08582	1.0
108.02088	1.1
109.02892	0.6
109.06518	1.5
110.03644	2.2
111.04425	1.4
111.98451	3.2
112.01567	0.4
113.06196	0.3
113.96436	0.5
114.94832	0.3
116.96095	0.3
119.04908	1.8
125.05975	18.0
129.99506	1.7
132.95813	5.3
133.02835	3.0
133.10106	0.6
135.04405	0.4
137.05962	3.6
137.91234	0.4
141.05450	3.7
147.04393	0.4
149.05946	3.4
150.05647	0.3
150.96878	8.3
151.03889	100.0
151.04980	7.6
151.07378	3.4
152.04277	1.4
153.05431	0.9
155.97398	3.9
161.09561	0.3
165.05463	1.6
167.06987	0.3
173.98473	7.2
179.07014	23.8
179.10548	0.7
182.05782	0.6
197.08069	11.8
197.11823	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0805
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.02382	0.5
53.03938	3.0
55.05503	0.4
56.94851	0.2
57.03429	1.7
59.05000	0.3
67.05485	0.9
68.99778	0.3
69.07054	0.3
69.86127	1.2
70.95855	1.7
71.04987	0.2
72.93774	0.9
73.02910	0.5
77.03918	1.0
79.05484	3.4
81.03411	0.5
81.07053	0.8
85.06551	0.4
88.96899	0.5
91.05475	1.7
93.07040	1.9
95.04955	6.8
95.05554	0.5
95.08588	0.6
97.06480	0.3
105.03376	100.0
105.06994	2.1
106.03709	1.3
107.04926	0.3
107.08574	5.6
109.06516	1.1
109.10164	0.6
111.98443	2.4
114.94830	0.2
119.04913	0.5
119.08550	0.7
121.06474	0.9
123.04412	3.7
123.08089	0.2
123.11719	0.3
125.05947	0.5
129.99512	1.1
132.95808	3.1
133.02843	0.3
133.10114	5.7
135.11676	5.1
135.14545	0.2
137.05952	1.5
137.09601	0.6
138.06728	0.2
150.96858	5.4
151.03864	1.3
151.11139	0.6
153.05418	0.3
155.07025	0.2
155.97394	3.2
161.09569	2.9
165.05476	0.6
168.98019	0.3
173.98470	6.2
174.98764	0.2
179.07027	4.8
179.09074	0.5
179.10638	9.2
183.08318	0.2
197.00008	0.3
197.06168	0.2
197.08104	1.0
197.11702	8.1
198.18521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0806
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03937	0.4
55.01860	2.0
55.05499	0.6
56.42731	0.2
63.89481	0.2
65.03922	1.5
67.05499	1.1
69.07067	0.2
69.23165	0.2
69.56491	1.5
69.56896	0.3
70.95858	2.7
71.05009	0.2
72.93784	1.5
73.02908	21.0
79.05492	0.5
81.03417	0.4
81.07066	0.4
83.04978	0.3
83.08609	0.3
88.96907	0.5
90.94846	0.4
91.03947	0.3
91.05470	2.9
93.03386	0.5
93.07035	0.3
95.04968	1.4
95.08570	0.3
98.21438	0.4
99.89783	0.2
105.03379	0.3
105.07013	0.3
107.04942	0.4
107.08576	0.9
108.02061	1.5
109.02864	0.9
109.06510	0.9
109.10123	0.3
110.03656	2.1
111.04424	1.6
111.98465	3.1
113.08248	0.4
113.96360	0.4
117.03436	0.3
119.04945	1.9
121.03961	0.2
123.11700	0.2
125.05979	17.2
129.99503	1.5
132.95815	5.2
133.02820	0.6
133.10117	0.6
135.11679	0.5
136.01534	0.4
137.05966	1.8
137.08212	0.4
137.09543	0.3
138.06580	0.2
139.07527	0.2
141.05450	3.8
147.04425	0.3
149.05963	2.9
150.96878	8.1
151.03888	100.0
151.04970	7.3
151.07411	3.5
152.04221	1.7
153.05405	0.3
155.09213	0.3
155.97374	3.7
161.09589	0.3
165.05501	0.5
166.46436	0.2
168.97945	0.4
173.98473	7.2
174.98756	0.2
179.07013	21.2
179.10449	0.4
180.07339	0.5
197.00095	0.3
197.08066	8.7
197.11740	0.6
198.18465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0806
Annotation	ACETOSYRINGONE
Peak:m/z	Relative Intensity
51.02368	0.6
51.42833	0.3
53.03936	0.7
55.01865	1.6
55.93523	0.7
56.39266	0.2
56.96556	0.4
57.03434	0.4
65.03928	1.3
66.04710	0.6
67.05496	0.6
69.03434	0.7
69.07026	0.4
70.95853	11.3
71.36526	0.6
72.93771	4.9
73.02915	0.6
77.03925	2.9
79.01878	0.3
79.05482	6.7
81.03411	0.6
81.07043	4.9
83.06109	0.3
85.02898	0.6
85.54678	0.2
88.96885	2.6
90.94817	1.2
91.05466	29.1
92.05798	0.3
93.07043	0.5
94.04173	3.8
95.04955	3.9
95.06078	0.5
95.08581	0.5
97.02866	0.7
97.06554	0.4
98.97540	0.4
105.03374	16.6
105.06992	0.7
106.97935	0.4
107.04936	4.3
107.08583	0.9
108.95841	0.4
109.06500	24.1
109.10157	0.4
111.04428	0.3
111.98458	13.1
113.08239	1.1
113.96349	1.8
114.94782	0.4
116.98592	0.5
119.04928	8.9
121.06480	0.4
122.03619	6.3
123.04463	1.3
125.05944	0.8
127.03836	0.3
129.99495	9.3
130.01695	0.4
131.97411	1.0
132.95003	0.2
132.95813	16.7
133.02831	100.0
133.10107	0.8
134.03163	1.3
135.04405	3.7
135.11670	0.7
136.05138	0.4
137.05954	59.6
138.06354	1.0
147.04387	2.7
147.05461	0.5
150.96861	38.2
151.03868	1.8
151.07532	0.7
151.11156	0.4
151.97008	0.4
152.07074	0.4
153.01048	0.6
153.05452	2.4
154.06152	0.3
155.06981	0.3
155.09273	0.6
155.97392	18.4
156.97672	0.3
161.09624	0.7
165.05449	48.9
166.05783	1.0
167.06992	3.5
168.97968	1.4
169.08710	0.3
173.98465	39.8
174.05574	0.7
174.98882	0.6
179.06923	0.6
179.09319	0.6
179.10623	1.9
182.05690	0.9
182.50395	0.2
191.99487	0.9
197.00040	2.3
197.04356	0.6
197.08061	6.0
197.10020	0.5
197.11815	1.9
198.18488	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03539	0.2
51.02358	0.5
53.03739	0.2
53.03940	3.2
55.01850	0.6
55.05499	0.8
55.93505	0.3
57.03424	1.8
57.07066	0.4
59.06115	0.3
59.49590	0.3
59.91257	0.2
61.99174	0.3
65.03938	0.2
67.05493	1.3
68.99764	0.3
69.03420	0.4
69.07045	0.8
70.95856	4.8
71.04968	0.5
71.61581	0.3
72.93774	2.5
73.02900	1.5
77.03920	0.7
79.05486	4.1
80.07323	0.2
81.03407	0.8
81.07050	1.7
83.08611	0.4
85.02857	0.3
85.06524	0.4
87.04438	0.3
88.96875	1.3
90.94825	0.6
91.05463	2.5
93.07030	2.0
95.04951	7.7
95.08572	1.5
97.06515	0.6
99.04483	0.3
105.03376	100.0
105.07001	2.6
106.03709	1.3
107.04947	0.3
107.08576	6.1
108.95815	0.2
109.06500	1.6
109.10136	1.2
111.04437	0.5
111.08078	0.4
111.98459	5.3
113.06019	0.2
113.08260	1.3
113.96393	0.7
117.07034	0.3
119.04985	0.5
119.08565	0.9
121.10130	0.9
123.04410	4.4
123.08038	0.5
123.11726	0.4
125.05981	1.5
129.99495	3.5
131.97429	0.5
132.95810	7.4
133.02809	1.2
133.06322	0.3
133.10115	5.4
135.11682	3.5
137.05952	3.1
137.08217	0.7
137.09581	1.1
138.06665	0.6
141.05469	0.4
147.04404	0.3
149.09595	0.4
150.96867	17.5
151.03880	6.5
151.05066	0.4
151.07561	0.7
151.11200	1.6
152.07037	1.1
153.05414	0.8
153.08995	0.4
154.06195	0.5
155.07031	0.4
155.09239	0.8
155.10451	0.3
155.97400	7.3
159.27748	0.3
161.09584	2.4
161.13293	0.3
165.05534	1.2
167.07103	0.4
167.10631	0.6
168.97914	0.7
169.08646	0.4
169.10046	0.3
173.98468	14.9
179.03322	0.2
179.07034	6.5
179.09259	0.4
179.10634	8.6
179.14220	0.3
197.00121	1.1
197.06317	0.3
197.08188	1.9
197.10170	0.6
197.11711	7.2
197.13203	0.5
197.15393	0.4
197.17159	0.3
198.18527	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
56.05027	5.5
56.96543	0.9
57.03408	1.2
57.07058	0.6
58.99855	0.4
60.04540	0.3
67.05487	0.7
69.03429	1.5
69.07043	0.7
69.33250	2.6
69.33663	0.5
69.96153	0.5
70.06579	0.5
70.95857	6.1
71.06091	0.3
72.93777	3.5
73.02901	0.6
77.00883	0.7
79.05436	0.3
81.07044	0.6
82.99843	0.6
83.04974	0.9
84.04474	0.4
88.96867	2.1
90.94789	1.1
91.05429	0.5
93.07038	0.7
94.06614	0.3
95.04947	0.5
95.06073	0.4
95.08573	0.6
96.05609	0.5
97.06469	0.4
97.07625	0.3
98.97568	0.5
100.02471	1.6
101.00842	2.9
102.02235	1.2
103.02396	0.9
105.07023	0.6
107.08600	1.7
108.95876	0.4
109.10140	0.5
111.04411	0.8
111.98451	6.6
113.05960	0.4
113.08233	2.7
113.96351	0.8
114.03977	1.5
114.94748	0.4
116.98616	0.4
118.03490	2.7
119.01905	19.2
120.01974	0.8
120.03265	1.0
121.01611	0.7
121.03431	0.5
125.05956	0.4
126.04124	0.6
127.03147	1.0
129.03954	0.5
129.99496	5.2
130.03488	0.4
131.01886	1.3
131.96144	1.1
131.97415	0.9
132.02000	1.3
132.05049	27.5
132.95801	7.8
133.01622	0.4
133.03423	1.3
133.05150	0.9
133.10094	1.6
134.99638	0.7
135.11679	1.0
135.14499	0.3
136.03667	1.0
136.04558	0.5
136.53743	0.5
137.02934	9.2
137.08188	1.2
138.06693	0.5
139.02725	0.3
142.03465	1.3
145.03352	0.4
146.04921	0.4
147.03755	4.6
147.04956	0.8
148.05301	0.4
149.02843	0.3
149.04564	0.7
149.97179	3.5
150.02980	0.5
150.04848	0.5
150.06102	22.7
150.96840	23.8
151.02649	0.6
151.03893	1.8
151.06230	1.0
151.11160	0.8
153.00998	0.4
154.97757	0.5
155.06635	0.6
155.09264	2.4
155.97383	9.9
156.02065	0.4
156.03218	0.6
156.05011	6.4
157.03456	0.6
158.04936	0.5
160.04544	0.9
161.00081	0.5
161.09554	0.8
165.04776	2.8
167.05574	0.6
167.98283	0.5
168.97939	1.3
169.03481	0.8
170.02878	0.8
172.04547	0.7
172.98793	1.1
173.01022	0.4
173.02856	1.0
173.04167	0.7
173.07745	0.8
173.98447	21.8
174.06096	100.0
174.98813	0.4
175.02737	0.3
175.04460	1.0
175.06194	2.7
176.04126	0.3
176.06075	0.4
179.06992	0.7
179.09224	1.7
179.10643	2.3
185.06619	1.6
185.56761	0.3
187.04535	0.7
192.07138	33.7
193.05576	0.5
193.07220	0.8
197.00085	1.8
197.02896	0.7
197.04395	0.8
197.06187	0.6
197.07736	6.9
197.10216	1.4
197.11775	2.0
198.07756	0.5
198.18520	1.3
214.44991	0.3
215.05502	0.4
215.08904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1741
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03922	1.3
55.01865	3.8
55.05501	15.4
57.03403	1.2
57.07067	4.4
59.04967	1.2
67.05170	0.6
67.05496	7.3
69.03426	6.0
69.07056	31.9
69.41227	6.0
71.04980	5.8
71.08608	0.7
72.93793	0.7
79.05479	9.4
81.07045	33.4
83.04945	2.7
83.08602	14.4
83.57442	0.6
85.06533	6.3
89.06015	0.7
91.05455	3.3
93.07027	16.5
95.04945	2.0
95.08590	51.4
96.08936	0.7
97.06499	1.7
97.10160	8.8
99.08076	40.5
100.08418	0.9
105.07010	3.3
107.04940	17.4
107.08575	37.9
107.79219	0.5
109.06481	1.1
109.10148	10.2
111.08057	15.9
111.11694	2.5
113.09611	6.2
115.05386	0.6
119.08559	1.0
121.06513	1.1
121.10121	63.8
122.10484	0.8
123.11655	3.2
125.09611	24.8
125.13274	0.9
131.08498	1.0
133.02834	1.7
133.10130	1.2
135.04369	3.9
135.08012	2.3
135.11676	15.9
137.13232	19.5
137.42723	0.7
139.11174	3.2
145.02808	0.8
145.03944	0.8
148.97365	0.8
149.13228	6.4
151.14796	0.9
159.11670	0.7
163.03882	8.5
163.07547	2.2
165.05492	1.4
167.07042	3.2
177.05444	2.4
177.16356	100.0
178.16699	2.3
195.02849	1.8
195.06535	3.4
195.08444	0.6
195.10251	3.8
195.11743	1.0
195.13821	1.9
195.17419	21.8
213.12148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1741
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03955	1.1
55.01861	3.5
55.05502	13.6
57.03430	2.1
57.07072	5.0
65.03918	1.6
67.05499	9.7
69.03417	8.8
69.07059	31.4
69.98109	3.9
71.04981	6.9
79.05475	12.4
81.07046	32.1
83.04979	1.4
83.08611	15.2
85.06527	4.6
91.05466	4.8
92.00097	0.9
93.07030	23.4
93.07614	1.8
95.04975	2.3
95.08593	56.0
96.22756	1.0
97.06496	2.6
97.10161	7.9
98.21430	1.4
99.08080	39.5
102.94938	1.2
103.05421	2.0
105.07012	6.6
107.04942	29.3
107.08576	45.7
109.06460	1.5
109.10143	13.6
111.08057	12.8
111.11694	3.1
113.09653	4.9
119.08576	1.6
121.06525	1.6
121.10124	69.7
121.77303	0.9
122.87376	1.0
123.08018	1.9
123.11694	7.0
125.05986	1.7
125.09612	22.3
133.02831	3.7
133.10129	1.7
135.04422	5.3
135.08047	6.3
135.11668	15.4
137.05997	1.5
137.13229	26.6
139.03848	1.3
139.11147	4.9
145.02812	2.0
149.05972	3.8
149.09607	1.1
149.13217	7.7
150.03094	1.4
151.07516	4.6
153.09122	1.2
154.06284	1.8
158.25333	1.0
159.11610	1.8
163.03879	9.7
163.07573	6.9
165.05443	3.9
167.07028	10.0
177.05447	5.6
177.08932	1.4
177.12811	3.1
177.16365	100.0
178.16704	3.0
180.07825	1.7
191.70123	1.0
195.02933	2.2
195.06615	5.8
195.08528	1.9
195.10231	9.8
195.13824	2.0
195.15742	1.4
195.17429	24.3
195.19270	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
53.50617	0.6
55.01855	3.7
55.05500	13.9
57.03412	1.3
57.07065	5.7
57.22998	0.8
59.04981	1.2
59.71724	0.6
65.03912	1.0
67.05215	0.6
67.05492	7.7
69.03418	5.9
69.07056	31.3
70.06692	2.3
71.04977	7.7
71.08618	1.0
79.05479	14.5
81.03387	0.9
81.07043	32.5
81.80630	0.7
83.04950	2.7
83.08139	0.9
83.08610	13.9
85.06512	4.9
86.03206	0.7
89.03876	1.0
89.05979	1.3
91.05469	4.8
93.07031	18.3
95.04931	2.6
95.08590	50.5
97.06504	2.0
97.10154	6.5
98.21431	0.8
99.08076	33.8
103.05429	2.5
105.07021	6.1
107.04936	27.8
107.08574	40.9
109.06489	1.5
109.10131	15.7
111.04443	0.8
111.08070	13.2
111.11697	1.9
113.09623	5.0
114.77553	0.8
115.05405	1.7
117.03348	1.2
117.07008	1.3
119.04912	0.9
119.08567	2.0
121.06528	1.6
121.10122	66.0
123.04374	1.0
123.08006	1.5
123.11697	9.3
125.05972	1.7
125.08745	1.5
125.09611	23.4
125.13207	0.9
127.11111	0.8
127.13557	0.8
133.02817	5.2
133.06479	0.8
133.10109	0.9
135.04404	6.9
135.08029	4.7
135.11670	16.4
137.05952	1.3
137.13229	26.7
139.11133	2.8
145.02879	1.2
149.05936	4.7
149.13257	5.8
150.03081	0.9
151.07518	8.5
151.14763	1.0
153.05455	0.8
154.06261	1.4
159.11661	1.5
163.03906	9.8
163.07561	6.7
165.05447	3.7
167.07021	11.4
174.11414	0.7
177.05469	7.6
177.09265	1.4
177.16359	100.0
178.16681	2.6
180.07747	1.6
195.02879	1.7
195.06699	4.5
195.08336	1.4
195.10178	11.3
195.13802	2.7
195.17427	21.6
196.07358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92582	0.8
53.03933	2.1
54.76855	0.8
55.01866	4.7
55.05259	1.3
55.05503	17.1
57.07069	4.6
59.04992	0.7
65.03916	0.9
67.05492	8.6
69.03418	7.2
69.07055	37.8
69.78941	1.3
69.79343	4.6
71.04983	6.5
71.08609	1.0
79.05484	13.4
81.06570	1.9
81.07043	36.8
82.07333	1.1
83.04968	3.0
83.08607	15.9
85.06517	6.0
85.10164	0.9
86.26105	0.8
89.05989	1.4
91.05466	6.2
93.07030	21.9
94.07393	1.1
95.04938	3.5
95.08590	56.5
97.06484	1.1
97.10168	8.7
97.72859	0.8
99.08073	38.0
103.05460	5.9
104.70206	0.8
105.06996	7.8
106.04143	0.9
107.04936	47.8
107.08572	46.4
108.05325	1.0
109.06477	1.8
109.10130	12.0
111.08051	14.4
111.11691	3.5
113.09629	5.5
115.05441	2.9
119.04914	1.3
120.05669	1.4
121.02851	1.0
121.06450	1.4
121.10122	66.8
123.11689	4.9
124.05104	1.1
125.09606	22.0
125.13290	1.0
125.77337	0.8
127.11206	1.3
131.04887	1.1
133.02831	1.9
133.10126	1.3
135.04401	2.6
135.08031	9.5
135.11671	17.2
137.05948	1.7
137.13234	19.7
139.11157	3.9
149.05934	1.9
149.13223	6.6
149.97232	1.4
151.07513	1.1
154.06215	2.8
163.03900	4.2
163.07549	14.5
165.05379	1.0
167.07021	15.8
177.01723	1.0
177.05446	2.4
177.16356	100.0
178.16698	1.6
180.07794	2.6
195.02812	3.3
195.05179	1.5
195.06654	1.7
195.08353	1.1
195.10156	17.2
195.17424	21.3
195.19279	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1741
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.44131	0.7
53.03923	2.3
55.01870	3.8
55.05260	1.3
55.05503	17.4
56.96541	1.6
57.03415	3.0
57.07069	4.5
59.06100	1.0
65.03917	1.9
67.05178	0.8
67.05500	12.0
68.96317	0.9
69.03418	8.7
69.07056	32.6
69.62187	5.9
70.27587	0.8
71.04971	7.3
71.08605	1.4
72.93760	1.2
79.05477	17.4
81.03398	1.6
81.07044	38.2
82.07391	0.9
83.04984	4.0
83.08609	12.8
85.06525	6.2
89.03881	1.9
89.06017	3.9
91.05458	10.1
93.06457	1.6
93.07030	25.8
93.24596	0.8
95.04940	7.0
95.08589	55.7
97.06497	2.9
97.10170	8.0
99.04433	1.3
99.08074	35.5
103.05423	5.2
105.03334	1.4
105.07011	10.9
106.04183	1.4
106.07301	1.1
107.04938	52.5
107.08575	50.6
108.05267	0.9
109.06489	3.2
109.09439	1.2
109.10134	13.5
109.98926	1.7
110.07153	1.1
111.04412	1.5
111.08074	13.4
111.11671	2.3
113.09618	4.8
113.96419	1.5
115.05450	3.3
117.03330	3.0
117.07002	2.9
119.04907	1.4
119.08550	3.9
121.02827	1.6
121.06467	3.2
121.10123	64.7
123.04393	2.1
123.08046	3.5
123.11694	6.1
124.05193	2.2
125.05973	1.9
125.09611	25.4
125.13220	1.0
127.11112	1.0
130.96278	2.8
131.04900	2.0
131.08557	2.2
131.96146	1.9
131.97409	1.5
133.02841	5.2
133.06465	1.5
133.10100	2.4
135.03340	1.7
135.04384	11.5
135.07120	1.1
135.08032	15.0
135.11673	21.0
136.04945	1.2
137.05934	2.4
137.09579	2.8
137.13237	17.5
138.06589	1.9
139.03897	2.0
139.07472	2.2
139.11172	4.6
145.02817	4.8
145.03845	1.3
145.07529	1.0
147.04410	1.0
147.11650	1.2
148.97302	4.5
149.06001	4.3
149.09621	4.7
149.13248	7.3
149.97185	3.5
150.06667	0.9
151.03868	1.1
151.07558	4.5
152.04648	1.7
152.06087	1.1
153.05367	2.0
153.09055	1.5
153.97881	2.6
154.06195	2.6
154.18411	0.9
159.07967	1.2
159.11682	3.8
163.03873	24.1
163.07550	18.5
165.05434	3.6
165.06810	1.0
165.09055	1.3
167.03331	1.1
167.06990	11.7
171.98906	4.2
172.98788	1.3
177.05437	10.8
177.09123	4.3
177.12857	8.6
177.16359	100.0
178.08575	1.0
178.16696	3.0
180.03065	2.3
180.07793	2.6
195.02939	4.5
195.05199	3.9
195.06447	10.7
195.08646	2.9
195.10194	23.6
195.11685	1.3
195.13802	8.6
195.15582	1.7
195.17430	20.6
196.07269	1.2
196.09691	1.0
196.17017	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1741
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.00317	1.0
53.03929	2.5
55.01859	3.9
55.05505	14.7
56.96557	1.2
57.03415	1.3
57.07070	4.5
59.04995	1.0
65.03931	1.2
67.05486	8.3
67.83100	0.7
68.96302	1.3
69.03423	7.1
69.07056	30.5
69.36233	1.5
69.36645	6.3
70.71643	0.8
70.94240	0.8
71.04987	6.8
79.05482	13.9
81.03413	1.0
81.07046	31.8
83.04955	3.1
83.06049	0.9
83.08607	15.9
85.06528	5.3
89.03924	1.6
89.06001	2.6
91.05463	6.2
93.07031	23.5
93.07618	1.3
95.04947	3.3
95.08591	49.7
97.06492	2.3
97.10157	9.0
98.20688	1.7
99.08079	38.4
103.05463	4.0
105.04491	0.9
105.07030	8.3
106.04185	1.0
107.04942	39.6
107.08581	43.6
108.08887	0.9
109.06493	2.1
109.10142	13.1
109.98926	1.7
111.04399	1.1
111.08073	10.4
111.11691	2.5
113.09619	6.0
115.05426	3.2
117.03349	2.6
117.06985	2.1
119.04919	1.1
119.08584	3.9
120.05717	1.1
121.02854	0.9
121.06467	1.3
121.10123	64.1
122.10496	1.0
123.04398	0.9
123.08066	1.8
123.11707	4.0
124.05217	0.8
125.05990	1.5
125.09615	25.8
125.13246	0.8
127.11201	0.8
130.96304	2.2
131.08548	1.9
131.96077	1.1
133.02834	2.5
133.06509	0.9
133.10109	1.6
135.04411	5.2
135.08034	11.4
135.10683	1.3
135.11673	18.4
136.05072	0.8
136.08626	1.0
137.06010	1.8
137.09573	1.7
137.13242	17.2
138.06616	1.5
139.11140	2.7
145.02840	4.5
145.03836	1.0
145.07652	0.8
147.04340	0.8
148.97375	4.1
149.05951	4.0
149.09570	2.1
149.13243	6.9
149.97139	2.1
151.03925	1.9
151.07578	1.3
153.05463	1.6
153.97826	1.2
154.06226	1.2
159.11604	1.6
163.03896	10.8
163.07555	14.7
165.05444	1.8
167.07008	8.0
171.98914	2.7
177.05460	10.5
177.09052	2.4
177.12953	4.5
177.16364	97.1
178.16739	2.1
180.07794	2.4
195.02943	5.0
195.06532	7.0
195.08592	1.5
195.10197	14.5
195.13759	2.7
195.17419	23.0
195.19347	100.0
196.16924	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.174
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
52.61681	0.4
53.03932	1.8
55.01849	1.0
55.05501	5.1
57.03409	1.8
57.07064	3.9
57.56133	0.5
58.39273	0.5
59.02558	0.6
65.03916	0.8
67.05496	3.7
68.96313	0.5
69.03406	1.5
69.07047	8.3
70.15447	0.5
70.77183	0.6
70.77546	1.6
71.04980	1.3
72.93767	0.8
73.34544	0.4
76.38198	0.5
77.03931	0.9
79.05479	9.2
79.48399	0.5
81.03437	0.5
81.06566	1.0
81.07042	17.9
83.04949	1.4
83.08607	5.6
85.06523	1.3
89.03889	1.0
89.06017	2.8
91.05460	3.1
92.02609	0.7
93.07030	10.6
95.04964	5.4
95.08589	22.1
97.06537	1.4
97.10146	1.6
97.89135	0.5
99.08058	3.0
103.05457	1.1
105.03355	1.2
105.04468	0.6
105.07002	3.9
107.04939	22.5
107.07848	1.2
107.08574	20.3
109.02873	0.7
109.06491	1.9
109.10138	6.1
111.04411	0.8
111.08044	2.0
113.96387	1.2
115.05446	0.9
117.03358	1.0
119.08539	1.6
121.02729	0.5
121.06470	1.4
121.10123	32.4
122.10457	1.1
123.04395	1.2
123.08019	0.9
123.11690	22.1
125.05973	0.9
125.09583	2.7
130.96301	0.8
131.08563	1.1
131.97430	1.9
133.02834	8.0
133.10118	0.7
135.04402	13.1
135.08032	2.7
135.11661	11.4
137.05927	2.4
137.09637	0.7
137.13225	35.2
138.06604	1.1
139.11151	2.2
145.02815	1.7
145.03885	1.1
148.97316	1.8
149.05969	1.9
149.09573	1.5
149.13237	4.9
149.97200	1.2
150.03079	0.7
151.11209	0.7
152.04716	0.6
154.06206	1.4
159.11691	0.9
163.03874	100.0
163.07515	2.6
164.04247	3.4
165.05447	1.6
167.07002	4.1
167.08331	0.7
171.98935	1.4
172.98849	1.2
177.03981	0.8
177.05412	5.0
177.08990	1.0
177.12762	1.9
177.16350	36.5
180.04184	0.5
180.09337	0.6
195.02856	1.5
195.06511	6.1
195.08566	1.4
195.10284	3.4
195.11691	1.0
195.13760	2.3
195.15865	1.0
195.17419	22.7
196.07390	0.7
196.17101	0.8
205.22321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03930	6.5
55.01866	4.4
55.05256	2.5
55.05503	28.7
57.03432	12.7
57.07063	7.8
58.41194	1.9
59.04999	2.4
59.47115	1.9
65.03943	3.0
67.05496	27.5
69.03420	6.7
69.07061	60.9
70.74660	3.4
70.75010	3.3
71.04984	21.4
75.96719	1.7
79.05485	69.7
80.76196	1.8
81.03396	3.3
81.07048	80.8
83.04976	6.0
83.08618	13.1
85.06513	4.8
86.71040	2.0
89.06045	2.8
91.05463	43.1
93.07035	100.0
93.40762	1.8
94.57488	1.8
95.04959	19.4
95.08591	39.2
96.71978	1.6
97.06523	8.5
97.10194	2.4
99.08070	4.0
103.05423	3.1
105.04491	2.1
105.07027	29.2
106.04176	2.1
107.04942	42.8
107.08582	64.3
109.06500	25.4
109.10144	7.5
111.04324	2.2
111.08070	7.8
113.09637	2.2
113.96408	6.0
115.05455	3.1
117.07011	23.3
119.08566	21.7
121.06482	17.2
121.10131	36.5
122.07290	2.2
123.08044	20.0
123.11708	2.0
125.09627	4.5
129.07016	5.7
130.96280	2.2
131.08553	31.8
132.08856	2.1
133.02832	8.3
133.06493	17.8
133.10106	12.3
135.04414	16.7
135.08018	17.8
135.11667	26.0
137.13245	5.7
138.06633	2.4
142.07782	2.4
144.09341	6.2
148.97308	4.6
149.05942	2.7
149.09599	3.2
149.13226	27.9
149.97215	5.3
151.03809	2.3
153.97815	3.9
159.11678	24.4
163.03888	93.5
163.07568	6.0
164.04243	2.3
165.05498	4.1
167.07037	5.1
171.98972	5.4
172.98828	2.6
177.05522	5.3
177.12767	17.2
177.16373	15.5
195.02846	6.2
195.06529	12.6
195.08586	4.0
195.10188	5.6
195.11780	4.4
195.13809	7.0
195.15639	2.5
195.17354	4.6
196.17030	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	195.0649
Annotation	Dimethyl phthalate
Peak:m/z	Relative Intensity
53.03941	1.7
55.01841	0.6
55.05495	1.4
57.01936	0.3
65.03911	0.4
67.05479	1.0
69.03404	0.7
69.07065	1.8
69.69785	0.3
70.04120	0.3
70.18154	0.7
70.18553	0.6
71.04971	0.8
71.44488	0.3
73.26693	0.3
74.81157	0.3
76.01242	0.3
77.03912	0.8
77.72460	0.3
79.05486	4.1
81.03416	0.6
81.07040	3.6
83.04945	0.7
83.08601	0.7
85.06512	1.2
89.06023	0.5
91.05468	1.1
92.02599	0.6
92.98943	0.3
93.07029	2.5
95.04953	3.0
95.08587	2.8
97.06538	0.5
98.21342	0.4
99.08058	0.8
103.05450	0.7
105.03371	1.2
105.04489	0.3
105.06998	0.7
107.04942	12.1
107.08578	3.4
109.06480	1.0
109.10138	1.2
115.05436	0.4
117.03341	0.6
117.05927	0.3
117.06982	0.5
119.08575	0.4
121.06506	0.7
121.10112	2.8
123.11693	0.4
125.05968	0.3
125.09589	0.6
131.08527	0.4
133.02843	8.3
133.06514	0.3
133.10120	0.6
135.04402	10.5
135.08055	0.9
135.11656	2.9
137.05942	1.1
137.09637	0.8
137.13278	0.7
138.06555	0.5
139.07449	0.5
139.11153	0.3
145.02824	0.7
145.03938	0.4
148.97365	0.6
149.02310	0.3
149.05974	0.6
149.09592	0.5
149.13261	1.7
150.03162	0.3
152.04672	0.4
153.09079	0.5
154.06194	0.3
159.11670	0.5
163.03882	100.0
164.04240	1.1
165.05490	0.7
167.07007	1.6
171.98944	0.4
177.05457	1.1
177.08919	0.4
177.12770	1.6
177.16377	1.9
180.09383	0.3
182.45218	0.3
195.02879	0.8
195.06503	2.6
195.10176	0.9
195.11987	0.4
195.13770	1.8
195.17424	0.9
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	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03932	3.0
55.01849	4.2
55.05503	12.3
57.03429	41.6
57.07054	2.4
61.95703	0.9
65.03932	1.8
67.05494	22.4
68.96310	1.9
69.03417	4.1
69.06711	1.1
69.07061	16.1
71.01332	0.9
71.04979	5.6
71.62075	0.8
72.93767	2.6
75.04469	2.2
77.03909	0.9
79.05483	27.2
81.03410	5.2
81.07045	38.1
83.04962	7.0
83.08605	8.4
85.02905	0.7
85.06528	12.2
86.97340	0.8
89.06008	5.1
91.05466	12.3
93.07030	35.6
95.04952	14.3
95.08595	37.5
97.06519	6.1
97.10136	2.2
99.08073	8.2
103.05442	3.3
105.07020	10.3
107.04940	30.4
107.08579	23.8
109.06497	9.0
109.10125	6.6
109.98923	1.5
110.07135	1.2
111.04413	1.6
111.08064	7.7
111.11687	0.9
113.09618	2.6
113.96365	3.5
115.05395	1.4
117.03374	1.1
117.06993	5.5
118.66396	0.9
119.08562	4.6
121.02827	1.0
121.06499	4.6
121.10126	25.4
123.08051	100.0
123.11672	2.3
124.08419	1.1
125.05958	1.9
125.09626	3.4
127.99946	1.4
130.96284	2.6
131.08540	6.9
131.96124	1.8
131.97397	3.5
133.02821	3.4
133.06447	1.7
133.08522	0.9
133.10109	4.9
135.04417	11.1
135.08035	7.8
135.11676	16.6
137.05959	3.2
137.09567	2.8
137.13219	4.6
138.06612	3.3
139.03874	1.9
139.07513	2.5
139.11142	5.0
139.90080	0.9
145.03918	1.4
148.97339	5.1
149.05939	2.7
149.09589	2.0
149.13237	10.2
149.97209	5.4
151.03877	1.1
151.11163	2.4
152.04669	1.0
152.06192	0.9
153.09009	1.6
153.97873	2.1
154.06258	2.3
154.98947	1.0
159.11662	7.4
163.03882	59.3
163.07527	4.4
164.04222	2.2
165.05464	1.3
165.07004	1.5
167.06982	4.0
167.10583	0.9
171.98929	4.6
172.98773	2.3
177.05405	3.8
177.09088	2.0
177.12756	11.5
177.16354	19.4
177.17816	1.5
195.00610	1.2
195.02853	5.6
195.06551	10.3
195.08640	3.5
195.10315	6.0
195.11728	2.3
195.13763	16.0
195.15712	2.6
195.17355	5.1
196.00372	1.3
196.16924	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	195.0648
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.11040	0.4
53.03931	0.5
55.01862	0.8
55.05502	1.0
58.16571	0.4
63.02364	0.4
65.03928	0.4
67.05499	0.5
68.96334	1.3
69.07057	0.8
70.87376	0.8
70.87772	1.2
70.94248	0.7
71.28310	0.4
72.93779	0.6
78.04688	0.5
79.05487	1.3
81.07042	1.6
83.04944	0.5
89.03902	13.8
89.06018	1.2
91.05466	1.5
93.03386	0.8
93.07030	1.8
95.04948	1.2
95.08620	1.2
103.05457	1.2
105.03374	0.5
105.07018	0.6
106.04173	1.5
107.04929	2.8
107.08582	2.3
109.98936	1.5
111.04423	1.4
113.96387	1.3
117.03364	29.4
121.06468	1.1
121.10114	0.9
123.11710	0.5
125.05973	1.3
127.99969	0.9
130.96277	1.3
131.97421	1.2
133.02811	1.3
133.10141	0.5
134.03630	3.9
135.04390	7.3
135.08038	0.9
135.11659	2.7
145.02827	62.3
146.03223	0.9
148.97322	3.8
149.04752	0.8
149.05962	16.1
149.09573	0.4
149.13225	0.5
153.05450	3.1
153.30173	0.4
153.97868	1.8
158.06015	1.1
162.03142	1.4
163.02518	0.9
163.03882	17.0
163.07527	0.6
167.06981	0.6
171.98927	3.7
172.98926	0.4
177.05447	100.0
177.16350	1.8
178.05792	1.4
186.05489	7.5
195.00598	1.1
195.02849	1.4
195.06534	3.2
195.08255	0.5
195.10188	0.9
195.11832	0.6
195.13737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03921	0.6
53.62301	0.4
55.01851	0.5
65.03917	0.8
68.96313	1.3
69.70783	1.5
69.71204	2.2
70.94243	0.6
72.93760	0.8
73.45089	0.4
78.04688	0.7
79.05466	1.6
79.82863	0.4
80.18694	0.5
81.07029	1.1
85.72791	0.5
86.97327	0.7
89.03902	14.7
89.05996	1.2
89.74557	0.5
91.05461	2.2
93.03378	1.4
93.07022	1.8
95.04937	1.0
95.08578	1.7
98.21525	0.5
103.05452	1.4
106.04132	1.5
106.04789	0.5
107.04944	3.7
107.08570	1.7
109.98925	1.7
111.04429	3.3
113.96380	1.2
114.09997	0.5
117.03361	32.1
119.04931	0.9
121.06489	1.1
121.10090	1.3
121.83547	0.5
124.05205	0.7
125.05980	4.3
125.09555	0.5
127.99956	1.0
130.96265	1.7
131.96156	0.6
131.97429	1.1
133.02853	1.0
134.03609	4.6
135.04405	8.3
135.07979	0.6
135.11661	1.8
145.02826	64.8
148.97348	3.0
149.05954	16.3
149.13292	0.6
153.05452	9.9
153.97874	2.5
158.05978	1.3
159.11674	0.6
162.03075	1.6
163.02533	0.9
163.03879	16.3
167.07018	0.5
167.08887	0.5
171.98918	3.6
177.05446	100.0
177.16409	1.8
178.05788	1.6
186.05469	6.7
195.00627	1.1
195.02873	1.2
195.06540	4.3
195.08122	0.8
195.10107	0.7
195.13847	1.0
195.15614	0.7
209.82124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0809
Annotation	2-(2-Hydroxyethyl)-4-hydroxyisoindolin-1-one
Peak:m/z	Relative Intensity
50.77477	1.0
55.01854	4.6
56.05023	1.4
56.96550	2.0
57.03428	1.4
60.04514	2.6
65.03931	2.6
67.05486	2.4
68.96307	2.1
69.03423	2.4
69.07048	2.4
69.30367	12.4
70.06573	1.3
70.94224	1.5
71.01351	1.2
71.04972	1.3
79.05484	4.0
80.05007	1.8
80.05819	1.4
81.03389	1.5
81.07037	3.1
83.01318	2.7
83.04964	1.6
86.06030	1.1
87.04482	2.4
91.05470	2.5
92.05000	1.9
92.05859	1.0
93.05799	1.8
93.07030	3.3
94.06548	2.0
95.04964	2.0
95.08592	1.4
96.04475	1.6
97.02869	1.7
97.06525	1.2
98.06058	1.7
98.97582	2.2
103.05432	4.9
105.07036	3.6
106.06541	26.2
106.07339	4.9
107.04952	5.1
107.08561	2.9
108.47513	1.2
109.02859	2.1
109.06520	1.9
109.10184	1.1
109.98941	2.9
111.04428	1.5
116.98602	1.4
118.00559	1.0
118.06524	2.8
119.08562	1.4
120.04436	1.9
120.08083	4.5
120.08844	1.1
121.02868	1.8
121.06508	1.8
121.10177	1.6
122.10503	1.0
125.06006	1.4
127.99957	1.6
130.06503	100.0
130.54417	1.1
130.96278	4.2
131.04869	1.2
131.07143	1.4
132.04431	47.6
132.08084	13.1
133.02821	1.7
134.05988	6.2
134.06850	3.4
134.10455	1.7
135.04422	3.6
135.08023	2.4
135.11734	1.6
136.07536	1.7
137.05972	1.3
138.06470	2.5
145.02878	1.1
146.06001	12.1
148.07542	76.5
148.97337	9.7
149.05972	3.7
149.07941	1.5
149.09613	1.8
149.13226	1.2
150.05424	2.1
151.03487	1.3
152.07036	1.3
153.05466	1.3
153.97873	4.3
158.05977	21.2
159.11728	1.6
162.06364	5.2
163.03873	7.0
163.21651	1.0
166.05006	3.2
166.08543	2.7
171.05959	1.9
171.98921	9.1
176.03423	17.5
176.07034	79.1
176.15259	1.4
177.05450	1.7
177.07404	1.9
177.09032	1.3
179.03021	1.6
194.04585	7.5
194.05202	6.2
194.08003	13.1
194.10353	1.5
194.11705	9.9
194.15327	23.9
195.00502	1.0
195.02905	6.6
195.06488	4.2
195.08678	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03928	1.3
55.01867	3.3
55.05252	0.9
55.05503	10.6
57.03408	2.5
57.07050	2.2
59.04978	1.2
63.98712	0.6
65.03918	0.6
67.01844	1.7
67.05492	11.4
68.99776	1.4
69.03411	4.2
69.07056	9.4
71.04974	2.1
71.06195	1.1
71.06541	0.7
75.54855	0.6
79.05481	12.7
80.65788	0.6
81.03416	3.8
81.06567	1.1
81.07044	20.9
81.34354	0.6
83.04967	13.9
83.08607	2.9
85.02912	1.4
85.06556	3.2
87.04427	1.1
91.05470	12.7
92.36353	0.5
93.07025	14.1
95.04964	5.6
95.06014	0.5
95.08595	22.4
97.02863	2.0
97.06506	2.8
97.10120	1.1
99.07565	0.7
99.08084	7.9
103.05452	6.7
105.07016	63.2
106.07341	1.7
107.04920	1.7
107.08583	19.5
109.06506	6.9
109.10144	22.8
111.04414	0.8
111.08059	2.1
115.05437	8.9
117.07003	1.0
118.04147	4.4
119.04889	1.0
119.08566	39.8
121.06504	0.9
121.10122	10.9
123.08061	5.0
123.11677	4.7
125.05941	0.6
125.09586	0.8
129.06999	1.1
131.04900	1.9
131.08540	2.5
132.05672	0.6
133.02834	4.5
133.06476	44.5
133.10107	33.9
134.06898	1.4
134.10449	0.7
135.08046	2.1
135.09097	0.5
135.10655	1.2
135.11667	16.7
136.12035	0.6
137.05957	3.6
137.09599	10.7
143.05000	0.8
143.05963	2.9
145.10095	1.7
146.10837	1.2
147.04382	5.9
147.08018	2.5
147.11674	10.3
149.05949	1.6
149.09575	0.9
149.13225	5.8
150.03004	0.9
151.03926	0.8
151.10066	0.6
151.11150	2.8
151.14754	1.0
152.66977	0.6
153.01782	1.6
157.10043	0.8
160.12448	0.7
161.05960	53.4
162.06389	2.1
165.05466	1.5
165.09073	2.2
166.08502	0.7
169.04901	0.8
175.03825	1.1
175.07460	1.8
175.11325	3.6
175.14804	48.1
176.15190	1.3
178.02672	4.1
178.06264	1.1
193.04939	100.0
193.08549	19.2
193.12198	5.6
193.15871	33.5
193.17406	0.8
194.05316	4.3
194.08128	0.9
194.15439	0.8
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
53.03925	1.7
55.01847	2.4
55.05505	6.9
55.38116	0.6
57.03423	1.2
57.07053	2.5
58.69144	0.6
59.04974	1.1
62.19138	0.5
62.72729	0.5
65.03904	0.7
65.47361	0.5
67.05497	8.5
69.03421	4.2
69.07056	10.5
71.04982	0.7
71.52954	0.7
71.53294	0.6
79.05482	10.3
81.03401	0.7
81.07048	8.2
83.04973	2.9
83.08595	2.1
85.06520	1.7
90.04680	0.9
91.05463	10.4
93.07034	8.0
95.04945	2.8
95.08595	22.5
99.08068	0.9
103.05453	8.4
104.06240	1.0
105.07018	70.0
106.07330	2.4
107.04938	0.9
107.07856	0.9
107.08578	11.0
109.06495	5.0
109.10141	23.0
111.08064	1.6
115.04670	1.0
115.05441	15.0
117.06996	1.9
118.04148	5.3
119.08566	49.4
120.08854	0.9
121.10133	6.2
122.03690	0.7
123.08036	2.7
123.11694	2.2
131.04919	2.9
131.08528	1.9
132.05637	0.9
132.09196	0.6
133.02820	2.5
133.06479	54.9
133.10114	60.5
134.06813	1.8
134.10844	0.7
135.08058	1.2
135.11678	17.6
137.05962	2.4
137.09599	11.1
143.04939	1.4
143.06017	3.7
145.10068	3.7
147.04362	1.9
147.08069	0.6
147.11664	16.3
149.05981	0.9
149.13275	5.6
150.03070	0.7
151.11182	1.5
151.14769	5.3
159.11685	0.8
160.08788	1.0
160.12485	3.2
161.05965	79.8
162.06316	2.4
165.05444	0.9
166.02664	1.2
173.13240	1.3
174.28651	0.6
175.11417	4.4
175.14804	100.0
176.15155	2.4
178.02602	2.0
178.06230	0.7
193.04939	12.6
193.06595	0.7
193.08589	18.7
193.10524	1.1
193.12224	5.5
193.15868	23.7
193.17628	1.5
194.02101	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
55.01852	2.2
55.05503	8.5
57.03416	2.3
57.07051	3.4
59.05002	4.4
60.04512	1.2
65.03918	1.2
67.05165	1.0
67.05499	11.9
68.05814	0.8
69.03409	5.2
69.07053	13.8
70.91000	2.3
71.04969	2.3
74.17136	0.7
74.25982	0.8
79.05478	12.8
81.03401	1.3
81.07047	18.7
83.04978	5.5
83.08600	3.3
85.06516	2.0
87.04419	1.1
89.03904	1.1
90.04701	1.2
91.05466	14.9
93.07035	11.7
95.04958	4.3
95.08594	31.2
97.02843	1.2
97.06541	1.6
103.05451	9.0
105.07014	84.1
106.07341	2.6
107.04933	1.8
107.08569	16.6
109.06504	15.0
109.10136	22.7
111.08062	2.8
115.04648	1.3
115.05422	12.2
117.07007	1.6
118.04146	6.3
119.08565	66.5
120.08869	1.0
121.10133	8.0
122.03603	0.9
123.08032	5.7
123.11681	4.0
131.04901	3.0
131.08533	2.2
132.05646	2.1
133.02859	4.9
133.06479	57.6
133.10112	63.3
134.06796	1.2
134.10378	0.9
135.08000	2.9
135.11678	18.1
137.05931	3.3
137.09593	12.0
143.05959	5.3
145.10135	4.1
147.04361	3.2
147.08018	1.9
147.11676	17.1
147.12842	0.7
149.05934	1.8
149.13242	6.1
151.11160	4.1
151.14757	3.1
159.11571	0.9
160.05118	1.3
160.08791	2.7
160.12433	2.0
161.05978	74.9
162.06316	2.4
163.14742	1.0
165.05440	1.7
165.09099	0.9
166.02563	1.1
173.13161	0.9
175.07463	1.2
175.11253	11.5
175.14799	100.0
176.15176	2.5
178.02573	3.5
189.85460	0.7
193.04967	14.4
193.07031	0.9
193.08597	19.5
193.10471	0.7
193.12224	14.1
193.14413	1.1
193.15854	32.7
193.17645	1.6
194.02022	1.5
194.15315	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.03606	1.5
53.03922	3.0
55.01862	2.7
55.05503	20.8
57.03434	2.0
57.07060	5.3
59.04980	2.6
65.03929	2.3
67.05499	24.9
69.03423	10.7
69.07056	22.4
70.93736	2.7
70.94131	3.9
71.04955	2.7
79.05479	18.9
81.03391	4.7
81.07043	33.9
82.07362	1.7
83.04972	21.9
83.08607	11.6
85.06515	3.6
91.05473	19.3
91.80872	1.6
93.07022	25.8
95.04962	21.8
95.08594	50.2
97.06528	3.3
97.10172	3.2
99.08061	5.1
103.05472	13.0
104.06222	2.9
105.03388	1.7
105.07015	100.0
106.07307	2.9
107.04939	3.2
107.08582	49.3
109.06502	20.6
109.10141	75.1
111.08065	11.3
115.05444	14.7
117.06989	3.0
118.04172	5.0
119.08566	70.1
121.10131	30.5
122.03642	4.8
123.08054	40.2
123.11652	10.4
124.65614	1.7
125.09598	3.1
129.46785	1.6
131.04929	2.4
131.08563	2.4
133.02831	17.9
133.06477	70.4
133.10115	52.7
134.06830	3.2
135.08003	2.6
135.11673	99.5
136.12086	1.9
137.05928	8.3
137.09612	35.9
138.10324	3.0
143.06013	6.1
147.04388	12.5
147.08035	2.3
147.11670	12.6
149.05914	2.9
149.13242	21.4
150.03082	3.4
151.11206	10.1
151.14833	11.3
160.05185	1.6
161.05959	82.0
162.06355	3.7
165.05464	6.3
165.09096	3.0
165.12787	3.7
165.16304	3.4
171.13780	1.7
175.07533	2.5
175.11264	3.9
175.14804	64.4
176.15073	2.0
178.02559	14.2
178.06232	2.2
193.03325	1.3
193.04929	58.6
193.08591	55.5
193.12201	8.9
193.15863	91.4
194.08943	1.9
194.16176	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1583
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03923	1.7
55.05504	28.8
55.61962	1.4
57.03421	1.7
57.07065	6.3
59.04983	2.1
67.05495	25.0
68.60295	1.2
69.03404	4.7
69.07057	74.8
70.73153	2.7
70.73524	2.9
71.04974	4.7
79.05486	12.2
80.72869	1.4
81.03397	2.4
81.07042	27.7
83.04961	16.7
83.08602	10.1
85.06517	5.0
91.05477	12.7
93.07029	27.4
95.04968	6.3
95.08589	67.7
97.06499	7.1
97.10130	2.6
98.82446	1.2
99.08070	10.7
101.69327	1.2
102.16656	1.2
103.05441	3.0
105.07014	39.5
106.07320	1.9
107.08574	34.8
109.06509	9.3
109.10139	49.1
110.10483	1.3
111.08043	4.1
111.11716	1.8
115.05416	2.7
117.07037	1.8
119.05080	1.4
119.08564	64.7
121.10117	25.6
121.10991	1.4
122.10454	1.5
123.08040	14.7
123.11677	11.4
125.09671	2.4
131.08554	2.4
133.02812	4.4
133.06499	14.3
133.10110	73.9
134.10530	1.6
135.11674	59.2
136.12024	2.0
137.05844	1.8
137.09599	35.3
137.13211	1.5
145.10078	4.3
147.04385	4.3
147.11649	14.7
149.13264	11.5
151.11153	5.4
151.14810	5.1
161.05972	17.9
165.16339	2.5
175.14796	100.0
176.15186	1.6
178.02539	2.2
193.04929	18.9
193.08609	9.8
193.12221	5.5
193.15865	83.4
194.16370	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.16479	0.4
53.03951	1.6
55.01863	3.2
55.05507	8.6
56.05038	0.4
56.96558	0.5
57.03426	1.8
57.07070	1.2
59.04993	1.1
65.03929	0.8
67.05495	9.1
67.52827	0.5
68.99784	0.6
69.03421	1.3
69.07060	11.3
69.44161	1.5
69.44586	2.6
70.07397	0.4
71.04983	1.6
77.03911	0.7
78.04716	0.6
79.05482	11.6
80.05785	0.5
80.90658	0.4
81.03417	1.5
81.07049	12.8
83.04971	9.4
83.08611	3.6
84.08135	1.5
85.06529	2.7
85.08471	0.7
87.04468	0.5
89.03906	1.0
90.04698	0.4
91.05468	10.9
91.06004	0.8
92.06280	0.5
93.07034	10.1
94.04193	0.8
95.04973	4.6
95.08591	11.8
97.02856	0.8
97.06525	2.3
98.21613	0.8
99.08080	10.3
103.05457	8.1
104.06236	2.0
105.03411	1.1
105.07017	63.6
106.07381	1.6
107.04935	1.9
107.08582	12.5
108.08920	0.8
109.06504	7.1
109.10144	12.8
111.08065	1.8
111.11733	1.2
114.61573	0.6
115.05444	9.1
116.56964	0.5
117.06982	1.1
118.04143	7.4
119.04935	0.7
119.08567	16.1
120.05675	0.8
121.06505	1.9
121.10125	7.6
122.03631	5.1
122.07253	0.5
123.08059	7.9
123.11683	3.3
124.05202	0.8
125.09583	0.8
129.06963	0.5
131.04898	2.2
131.08571	1.2
132.05681	2.0
133.02838	36.4
133.06473	50.8
133.10106	16.7
133.11064	0.9
134.03136	1.4
134.06776	2.5
135.04396	2.0
135.08044	3.2
135.11679	13.7
137.05965	11.7
137.09586	7.0
143.04890	1.4
143.06029	3.1
145.10123	0.6
147.04379	8.7
147.08028	2.0
147.10648	0.7
147.11691	9.4
148.05151	0.7
149.05986	5.6
149.13225	2.5
150.01265	0.8
150.03113	3.1
150.06749	5.5
151.11150	2.7
151.14897	0.9
157.10120	0.6
160.05174	0.8
160.12512	0.5
161.05962	48.1
162.06355	2.0
163.03645	0.5
165.05457	4.7
165.06775	0.8
165.09099	5.1
165.12714	1.5
165.16342	1.0
175.07516	1.5
175.11221	2.7
175.13275	0.6
175.14809	16.2
178.00949	1.1
178.02586	20.8
178.06232	2.1
179.02954	0.8
193.04938	100.0
193.08577	48.9
193.12177	5.2
193.15857	20.8
193.17783	18.7
194.05304	5.2
194.09010	2.3
194.11653	0.5
194.16235	0.8
194.19032	8.4
197.67081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03937	1.8
55.01892	0.9
55.05505	14.6
57.03412	1.2
57.07050	3.4
57.17707	0.9
59.04987	1.6
67.05157	1.2
67.05495	12.4
69.03437	0.9
69.07054	12.9
71.04991	2.0
71.53214	1.7
79.05479	4.7
81.07050	13.1
83.04958	8.7
83.08596	4.1
84.88850	0.9
85.06520	1.2
86.10884	1.1
91.05469	8.4
93.07029	12.2
95.04963	2.0
95.08598	29.3
105.07008	20.3
107.08580	14.0
107.88231	0.9
109.06490	9.6
109.10143	33.5
111.08034	1.3
117.06994	2.4
119.08566	64.1
120.08876	1.6
121.10100	7.2
123.08058	4.1
123.11690	3.0
123.28034	0.8
131.08549	1.9
133.06453	3.0
133.10112	72.8
134.10442	1.8
135.08095	2.1
135.11682	20.8
137.05975	1.6
137.09605	14.9
139.44060	1.0
145.10104	4.3
147.11658	18.2
148.11961	0.9
149.13219	5.8
151.11176	4.3
151.14828	6.1
160.08795	1.8
160.12393	4.3
161.05956	3.8
173.13264	1.6
175.11325	6.3
175.14803	100.0
176.15178	2.2
193.04900	2.4
193.12199	7.2
193.15854	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	193.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59939	0.4
53.03716	0.4
53.03943	1.7
55.01864	4.4
55.05503	8.8
57.03423	1.6
57.07069	1.8
59.04991	3.1
65.03941	0.9
66.38203	0.5
67.05495	9.8
69.03429	2.1
69.07062	7.7
69.90179	2.9
71.04987	1.6
79.05113	0.3
79.05482	12.5
81.03399	1.0
81.07050	13.5
83.04970	7.2
83.08607	2.0
85.02898	0.9
85.06548	2.9
87.04457	0.6
89.03915	0.6
90.04701	0.8
91.05471	12.6
93.07035	11.7
95.04950	3.7
95.08593	14.6
97.02897	0.7
97.06533	1.6
97.10177	0.7
99.08071	3.5
103.05457	10.7
104.06264	0.6
105.03350	0.7
105.07020	87.1
106.07345	2.6
107.04939	0.9
107.08581	12.8
109.06509	7.5
109.10142	21.8
111.08074	1.3
115.05441	15.6
117.07024	1.2
118.04138	8.4
119.04978	0.6
119.08571	32.8
120.08858	0.5
121.06473	1.2
121.10115	7.0
122.03606	0.8
123.04359	1.0
123.08067	4.0
123.11662	3.1
125.09604	0.6
129.06996	0.6
131.04892	2.6
131.08563	1.8
132.05699	1.7
133.02826	2.5
133.06477	75.1
133.10115	28.1
134.06819	2.9
134.10481	0.6
135.08052	1.9
135.11674	11.8
137.06000	2.2
137.09607	9.6
142.07780	0.5
143.04933	1.1
143.06004	5.3
145.10135	1.7
147.04405	3.1
147.08089	1.1
147.11674	8.9
149.05959	0.8
149.13242	4.0
150.06691	0.6
151.07535	0.8
151.11220	3.3
151.14784	1.3
157.10115	0.7
160.08830	0.8
160.12523	0.7
161.05965	100.0
162.06245	3.6
163.14867	0.9
165.05464	1.7
165.12706	1.0
165.16414	1.2
173.13229	0.5
175.07582	0.6
175.11205	7.5
175.14806	40.5
176.15154	0.7
178.02614	1.6
178.06236	1.1
178.82851	0.5
184.00940	0.6
193.04938	12.3
193.08592	23.1
193.12224	11.0
193.15857	22.4
194.09029	0.6
194.15358	1.0
202.69278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.49627	0.5
51.80468	0.4
53.03941	1.6
55.01856	4.0
55.05253	0.9
55.05507	14.5
57.03427	1.6
57.07063	2.6
59.04994	1.4
61.38491	0.5
65.03918	1.5
67.05499	16.4
67.38313	0.5
69.03417	6.8
69.07064	10.7
71.02917	0.5
71.04980	2.3
71.08617	0.9
77.87003	0.5
79.05482	15.9
81.03409	1.7
81.07047	21.5
83.04973	11.2
83.08610	5.0
83.76389	0.6
85.02888	0.7
85.06532	2.3
87.04440	1.0
89.03867	0.8
91.05469	13.7
92.05803	0.6
93.07030	10.0
94.04128	0.6
94.28072	0.5
95.04967	6.0
95.08594	24.3
97.02911	0.7
97.06529	3.6
97.10165	2.2
98.21522	1.3
99.08064	3.0
100.47929	0.6
103.05455	13.6
104.06268	3.0
105.07017	100.0
106.07351	3.1
107.04256	0.5
107.04926	2.8
107.08580	14.9
109.06510	11.4
109.10143	42.2
110.10442	1.0
111.04458	0.9
111.08064	6.5
114.10959	0.6
115.05437	18.8
117.07012	0.8
118.04156	8.1
119.04979	1.2
119.08567	23.8
121.06474	0.8
121.10126	14.4
122.03622	0.8
122.07266	1.7
123.04475	0.7
123.08053	37.9
123.11678	6.8
125.09593	0.9
129.07005	1.6
131.04918	4.5
131.08595	2.7
132.05658	3.6
133.02838	8.7
133.06474	81.2
133.10106	22.1
134.03139	0.6
134.06830	2.1
134.10474	0.7
135.04414	0.6
135.08025	1.6
135.11681	26.3
137.05981	4.5
137.09593	26.7
137.13200	1.3
138.10384	10.6
139.11136	1.8
143.04948	0.8
143.06021	4.9
145.10179	1.0
146.97420	0.5
147.04337	1.7
147.08043	1.2
147.11674	13.7
147.12787	1.1
148.07574	0.6
149.05930	1.4
149.09604	2.2
149.13242	5.6
150.03038	0.9
150.06758	0.9
151.11169	2.5
151.14778	4.0
157.10106	4.9
160.05174	1.7
161.05963	91.3
162.06252	3.7
162.90973	0.6
165.05444	2.4
165.09184	1.2
165.12718	1.8
165.16351	0.5
175.07668	0.7
175.11171	8.8
175.14803	20.3
176.15160	0.6
178.02600	6.5
178.06227	2.5
178.07632	0.6
193.04953	29.5
193.08585	69.3
193.12206	12.4
193.15848	37.9
194.05228	1.0
194.09000	3.7
194.16182	1.2
205.29817	0.6
211.85902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03937	2.2
55.01855	4.5
55.05510	10.3
55.32695	1.2
57.07047	3.3
59.04983	2.2
60.12057	1.1
65.03917	1.5
67.05497	13.0
69.03416	3.5
69.06716	1.9
69.07061	26.5
69.62639	9.4
70.77948	1.3
71.04981	14.9
79.05486	15.8
81.03397	4.2
81.07050	23.6
83.04964	3.2
83.08603	3.4
85.06539	8.8
87.04437	3.0
87.24481	1.2
91.05461	11.3
93.07032	28.9
95.04963	29.6
95.08600	24.5
96.15842	1.2
97.06512	4.5
97.10152	10.0
98.20815	2.6
99.08076	7.6
103.05458	12.7
105.07019	95.1
106.07332	2.6
107.04958	1.8
107.08577	31.0
109.06506	81.5
109.10144	23.1
111.08077	6.5
111.11709	3.8
111.96830	1.3
115.05437	16.6
117.07022	1.9
118.04153	6.4
118.60358	1.1
119.08568	37.2
121.10130	11.0
121.62373	1.2
122.03636	1.6
123.08038	8.8
123.11688	22.2
131.04909	4.0
133.02859	12.5
133.06479	71.6
133.10103	31.9
134.06836	3.3
135.08025	1.4
135.11678	35.1
137.05962	5.6
137.09607	15.1
143.04974	1.6
143.06027	4.9
145.10077	1.4
146.97458	2.4
147.04391	1.6
147.07997	3.2
147.11668	11.5
149.05978	2.2
149.09518	1.3
149.13249	12.4
151.07501	2.3
151.11176	4.7
151.14833	1.6
161.05965	100.0
161.42476	1.3
162.06377	2.9
165.05421	1.9
175.07513	1.9
175.11185	3.9
175.14810	51.9
178.02571	11.0
193.04935	54.1
193.08603	19.3
193.10287	2.6
193.12196	9.5
193.15868	81.6
194.05281	1.9
194.15414	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	193.122
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03924	1.8
55.01861	4.4
55.05504	12.8
55.75680	0.7
57.03428	7.0
57.07071	2.0
59.04991	6.2
62.46569	0.6
62.64729	0.6
67.05495	13.8
68.99792	0.9
69.03417	5.7
69.07055	11.0
71.04987	3.5
71.06457	1.7
77.03880	0.8
79.05482	18.5
79.05950	1.0
81.03402	3.2
81.07046	31.3
83.04964	11.5
83.08602	2.6
85.02906	2.7
85.06523	3.8
91.05466	24.2
93.07027	15.3
94.04144	0.7
95.04958	7.3
95.08593	19.8
97.02864	0.9
97.06520	2.2
97.10152	0.7
99.04521	0.7
99.08094	5.5
103.05456	10.0
105.03367	0.8
105.07014	100.0
106.02090	0.7
106.07336	1.7
107.04925	3.0
107.08577	21.1
107.09278	1.3
108.08960	0.7
109.06500	35.8
109.10135	19.4
111.08065	2.9
113.05997	0.6
113.45327	0.7
115.05432	14.6
117.07008	2.4
118.04144	7.9
119.04910	2.2
119.08561	51.8
121.06474	3.1
121.10130	9.3
122.03609	1.5
123.08041	8.8
123.11687	6.2
125.09599	1.2
131.04909	2.6
131.08516	3.4
132.05707	1.6
133.02852	6.4
133.06471	67.2
133.10107	40.6
134.06853	1.7
135.08029	9.9
135.11671	15.7
137.05957	7.9
137.09593	15.8
142.07764	2.2
143.04881	1.9
143.06012	3.2
145.06476	2.4
145.10109	2.5
146.07245	2.2
146.97447	0.9
147.04378	9.7
147.08012	3.8
147.11659	19.0
147.12782	1.4
149.05923	2.1
149.09602	1.8
149.13211	3.9
150.03113	1.8
151.03995	1.1
151.07585	1.7
151.11162	12.4
151.14854	1.6
157.10081	2.6
160.08830	9.3
161.05954	80.6
162.06358	1.3
165.05463	3.1
165.09109	0.9
165.12711	3.3
165.16385	0.7
175.03816	1.5
175.07515	2.1
175.11174	33.3
175.14789	41.6
176.11647	0.7
178.02592	5.7
178.06171	1.5
183.26863	0.7
193.04930	26.1
193.08575	27.9
193.12213	39.9
193.15843	24.8
193.17644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03920	4.6
55.05505	16.0
57.03433	9.3
57.07047	5.3
59.04973	4.9
67.05496	18.5
68.05080	1.5
69.03404	6.4
69.07056	17.4
69.67656	9.3
71.04963	4.2
76.41328	1.5
79.05482	16.1
81.06579	2.4
81.07047	48.9
83.04978	18.3
83.08606	3.1
85.02881	3.7
85.06525	4.2
87.15440	1.4
91.05464	16.5
93.07037	16.6
95.04947	8.7
95.08050	2.6
95.08598	31.8
97.06506	2.7
98.20746	3.0
99.08079	2.1
103.05471	4.0
105.07019	53.1
106.07325	1.5
107.04929	2.8
107.08575	23.7
109.06503	64.7
109.10144	35.1
110.07280	3.2
111.08053	2.6
115.05471	8.2
117.06976	4.3
119.08566	93.1
121.06485	6.3
121.10138	9.5
123.08070	15.7
123.11674	7.5
129.06943	1.7
131.08510	2.3
133.06494	23.7
133.10115	70.3
135.08044	20.5
135.11659	16.3
137.05984	11.8
137.09599	28.7
141.06723	1.4
142.07785	3.1
145.06493	5.1
145.10123	4.6
146.07253	3.4
147.04411	1.8
147.08066	4.5
147.11668	32.3
149.13234	7.6
151.07465	1.8
151.11165	22.4
151.14783	4.0
157.10104	3.8
159.08031	1.7
160.08788	18.8
160.12453	3.0
161.05980	31.3
165.12730	4.5
175.11177	89.0
175.14795	100.0
176.14975	2.3
178.02596	2.0
193.04973	7.1
193.06833	2.0
193.08575	6.4
193.12219	88.8
193.15855	25.7
194.12515	1.6
203.32715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.122
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02374	0.8
52.89674	0.9
53.03936	4.5
55.01863	4.7
55.05503	7.6
57.03428	71.6
57.07064	1.7
57.14165	0.8
59.04989	1.1
65.03920	2.5
67.05491	17.5
69.03403	4.0
69.07055	7.8
71.05000	1.1
71.62457	1.8
74.49630	0.9
75.04462	2.7
77.03922	2.2
79.05479	17.8
81.03406	16.1
81.06573	1.2
81.07040	15.7
82.07379	1.1
83.04967	4.7
83.08598	3.1
85.06533	6.5
87.04458	2.0
91.05464	41.3
91.64278	0.9
92.63914	1.0
93.07026	49.3
95.04959	19.8
95.08584	12.6
97.06494	3.2
99.08061	2.9
102.04641	1.1
103.05450	11.8
104.06238	2.2
105.03377	1.2
105.07014	100.0
106.07362	1.3
107.04930	5.1
107.08578	9.4
109.06497	8.9
109.10135	19.0
111.04443	1.3
111.08070	1.7
115.05436	17.1
117.06995	9.1
118.04131	8.2
119.04893	1.9
119.08563	68.2
121.06486	44.2
121.10119	4.0
122.03612	2.2
123.08041	3.8
123.11681	4.6
129.05501	1.1
129.07004	3.7
131.04910	3.9
131.08517	3.2
132.05643	2.0
133.02838	12.1
133.06473	75.2
133.09114	2.0
133.10098	27.5
134.06828	1.6
135.08009	5.5
135.11682	6.8
137.05957	5.6
137.09593	19.7
137.13235	1.5
142.07770	6.1
143.04968	1.7
143.06024	5.1
145.06444	2.7
145.10107	2.1
146.07253	8.0
147.04370	2.1
147.08023	24.8
147.11659	33.1
149.05963	1.9
149.09630	1.2
149.13225	2.8
151.07507	1.2
151.11253	1.0
157.10155	5.5
160.08806	4.9
161.05954	91.1
165.05432	2.7
165.12715	1.9
175.07570	1.8
175.11159	36.7
175.14766	11.5
176.11539	1.1
178.02571	9.4
184.49658	1.1
193.04942	44.7
193.08574	33.9
193.12215	14.2
193.13945	1.8
193.15823	9.2
194.05180	1.6
194.08029	1.1
194.15456	1.1
206.59604	0.8
210.20506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0856
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.83375	0.5
53.03934	0.7
55.01863	4.1
55.05515	1.2
63.31381	0.5
67.05482	2.0
69.03415	0.7
69.07062	1.6
71.04981	0.6
71.22962	1.2
71.28394	0.5
79.05476	9.9
79.05897	0.9
81.03391	1.4
81.07040	3.0
83.04964	1.9
85.06501	0.6
89.03910	0.6
90.04670	0.7
91.05469	7.5
93.07040	3.1
95.04971	2.7
95.08590	3.8
97.06519	1.0
103.05441	12.2
104.06226	1.0
105.03390	0.7
105.07012	89.5
106.07352	1.6
107.04929	1.5
107.08578	3.7
109.06490	1.6
109.10130	3.6
111.08078	0.7
115.05433	18.6
117.06995	0.8
118.04139	7.9
119.04955	0.6
119.08572	6.3
121.10149	1.8
122.03638	0.9
123.04443	0.5
123.08018	1.6
123.11658	1.1
129.06940	0.8
131.04886	3.3
132.05684	2.1
133.02861	3.6
133.06468	84.2
133.10080	5.3
134.03513	0.6
134.06857	1.5
135.11668	3.7
137.05943	2.3
137.09610	2.4
143.04912	1.7
143.06013	5.6
145.65697	0.5
147.03206	1.3
147.04384	26.3
147.08020	4.2
147.11665	3.6
148.04716	0.9
149.05972	0.8
149.13213	0.8
150.03111	0.9
150.06740	0.8
161.05951	100.0
162.06306	3.0
165.05461	2.0
165.09088	0.6
165.12701	0.9
175.03935	0.6
175.07510	5.6
175.14832	4.8
178.02525	2.8
189.06821	0.5
193.04941	12.7
193.08571	22.5
193.12215	1.6
193.15892	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03945	1.1
55.01859	3.3
55.05490	1.1
67.05499	1.8
68.29950	0.4
69.03400	1.0
69.07070	2.1
69.60248	1.0
69.60665	3.0
71.04974	1.3
79.05482	10.8
81.03408	1.0
81.07045	3.3
83.04989	0.9
84.64026	0.4
85.06516	0.5
89.03869	1.0
90.04694	0.5
91.05468	5.7
93.07023	2.2
95.04944	1.9
95.08600	3.0
97.06533	0.7
98.21478	0.6
99.08083	1.7
103.04784	0.6
103.05460	11.5
104.06272	0.7
105.07017	87.4
106.07330	1.3
107.04945	1.0
107.08595	2.9
109.06525	1.4
109.10144	3.5
115.05439	16.6
118.03360	0.8
118.04146	9.4
118.04913	0.9
119.04919	0.5
119.08568	4.2
121.10116	1.4
122.03659	0.6
123.08059	1.5
123.11658	0.8
131.04919	2.8
131.08607	0.5
132.05684	1.2
133.02858	5.5
133.06477	80.1
133.10092	4.6
134.06841	2.2
135.04430	0.5
135.08180	0.6
135.11670	3.6
137.05946	3.4
137.09627	1.4
142.68225	0.4
143.04901	2.2
143.06039	4.7
147.04362	1.5
147.08000	0.6
147.11681	3.3
149.05956	1.5
149.13290	0.7
150.03050	1.0
151.14854	0.5
159.39352	0.5
160.05173	0.9
161.05962	100.0
162.06297	2.5
165.05446	1.5
165.12794	0.7
175.07578	0.5
175.11194	1.2
175.14821	4.8
178.02625	3.5
178.06227	1.1
193.04948	19.6
193.08582	31.2
193.12247	2.3
193.15842	5.6
194.08969	0.5
195.10588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0493
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
51.02380	0.3
55.05486	0.3
67.05495	0.5
69.76841	0.4
69.77260	1.4
77.03924	0.5
79.05490	0.9
81.03362	0.3
81.07037	0.3
83.08642	0.3
83.34885	0.3
88.57105	0.3
89.03905	1.0
91.05459	0.7
93.07011	0.4
94.04182	0.6
95.04958	0.6
95.08591	0.9
98.20770	0.5
105.03399	1.5
105.04525	0.2
105.07027	2.2
107.04947	0.4
107.08602	0.4
109.06493	0.5
115.05467	0.4
117.03365	0.8
119.08564	0.4
122.03634	4.4
133.02837	35.6
133.06396	1.4
133.10094	0.7
134.03587	0.3
135.11667	0.7
137.05956	10.7
147.11629	0.3
149.05962	2.4
150.03117	3.4
161.02391	0.5
161.05965	2.2
165.05466	3.1
175.14825	0.5
178.02589	22.5
193.04936	100.0
193.15810	0.9
193.17596	0.7
194.05255	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
50.01581	0.4
53.03929	0.7
53.21325	0.4
55.01855	0.9
55.05510	3.8
57.03413	1.7
57.07066	1.8
59.04986	0.8
60.45190	0.5
67.05221	0.3
67.05502	4.1
69.03410	1.3
69.07062	5.9
69.45110	0.4
69.76617	2.5
71.04956	0.7
75.70166	0.4
77.03879	0.6
79.05486	4.3
81.07044	10.7
82.13616	0.4
83.04963	3.1
83.08600	1.5
85.02873	0.7
85.06514	1.0
89.03893	0.7
91.05467	5.5
93.07031	4.5
94.04211	0.5
95.04944	2.3
95.08596	11.3
97.06535	0.5
103.05446	2.2
105.03365	1.0
105.07018	22.1
107.04952	0.5
107.08581	6.0
109.06502	14.9
109.10140	11.5
110.07283	0.5
111.08064	0.6
115.05444	2.9
117.07018	0.5
118.04135	1.7
119.04944	0.5
119.08568	28.1
121.06455	0.9
121.10131	2.4
122.03629	3.2
123.08051	3.4
123.11692	1.8
130.94049	0.4
131.04904	0.7
131.08548	1.2
133.02840	31.8
133.06476	14.7
133.10114	25.7
134.10918	0.4
135.08044	3.6
135.11681	7.2
137.05965	10.1
137.09608	7.7
142.07750	0.6
143.06026	1.0
145.06461	1.1
145.10112	1.7
146.07230	0.9
147.04370	0.9
147.08031	0.9
147.10487	0.5
147.11665	10.0
149.05952	2.4
149.13222	2.5
150.03102	1.6
151.11176	5.3
151.14807	2.1
157.10078	0.6
160.08813	4.0
160.12451	1.4
161.05960	19.8
165.05473	3.6
165.12720	1.1
173.13223	0.6
175.11185	15.6
175.14801	41.1
178.02592	17.0
178.04196	0.6
193.04942	100.0
193.08537	5.6
193.12202	16.5
193.15857	9.4
193.17630	0.5
194.05336	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1791
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05504	14.1
56.05026	2.5
57.07048	4.0
59.06128	2.1
67.02992	1.9
67.05490	11.3
68.05007	4.7
69.03421	3.2
69.06715	2.1
69.07063	32.2
69.24527	1.3
70.06580	3.0
71.47388	3.0
79.05489	12.3
79.51143	1.3
80.05012	1.5
80.16618	1.3
80.73962	1.7
81.04530	4.1
81.07050	17.8
83.04990	1.6
83.06087	2.6
83.08606	13.4
84.81090	1.4
87.20997	1.3
87.70497	1.2
91.05468	7.6
92.30559	1.2
93.06464	2.4
93.07031	39.6
93.44273	1.3
95.04955	1.2
95.06049	1.7
95.08597	74.2
96.08939	2.2
97.06499	1.3
97.07623	2.3
97.10155	11.0
101.84685	1.3
105.07000	7.4
107.06059	2.8
107.08586	53.1
108.05561	3.2
108.90466	1.6
109.06499	1.8
109.07636	5.2
109.10145	34.1
109.10890	1.6
110.07191	6.6
111.07963	3.2
111.09188	2.6
111.11734	2.3
112.08701	2.4
119.08584	3.3
121.10130	75.8
122.07159	3.4
123.08067	1.4
123.09162	1.8
123.11668	4.9
123.88480	1.3
124.08698	4.1
131.08528	3.2
133.07599	3.4
133.10115	6.3
134.07120	1.9
135.08020	5.2
135.09067	2.0
135.11673	58.5
135.83452	1.3
136.08685	1.4
137.08252	1.7
145.10106	3.3
147.11690	2.4
148.08659	3.6
149.08199	10.5
149.09288	2.3
149.13242	12.4
150.02684	1.2
150.10216	7.2
151.09850	2.6
151.10992	2.1
152.10551	1.7
163.14833	1.8
164.11716	1.6
165.35521	1.3
166.08536	1.3
173.13266	3.5
174.01691	1.5
174.10208	3.3
175.09773	3.1
176.04630	2.4
177.07835	1.8
191.06996	5.4
191.09135	2.9
191.10574	9.4
191.12885	14.5
191.14342	9.4
191.17931	100.0
192.06451	2.7
192.08691	1.6
192.12401	11.3
192.17461	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	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.39294	0.7
55.05508	9.1
55.25574	0.7
57.07048	2.6
67.05501	8.6
69.03418	2.0
69.07059	23.0
79.05482	7.8
81.07050	13.3
83.04954	1.6
83.08605	10.8
91.05457	6.6
93.07034	31.8
95.04945	1.1
95.08596	51.5
97.10162	6.0
102.04647	1.0
103.05445	2.0
103.77551	0.8
105.07021	4.6
107.04950	1.5
107.08585	35.8
108.90466	1.0
109.06501	2.2
109.10140	23.0
111.11694	1.7
117.06981	1.2
118.04132	1.9
119.08597	3.4
121.06499	1.4
121.10129	48.3
123.08033	1.1
123.11674	3.3
130.04126	0.8
131.04860	1.7
131.08524	3.2
133.10103	7.4
135.08032	3.0
135.11678	37.6
136.12013	0.9
137.09503	0.9
141.67725	0.8
143.08531	0.8
145.10109	2.4
147.04330	0.9
147.11656	3.3
148.05142	1.6
149.09508	1.1
149.13248	10.7
149.93123	0.7
150.02698	1.2
158.35318	0.7
163.11166	0.8
163.14839	1.7
167.05592	0.7
172.58678	0.7
173.09657	1.4
173.13251	4.0
176.04649	1.6
191.03300	1.2
191.06911	4.1
191.10652	3.7
191.14330	14.4
191.17924	100.0
192.10080	1.1
192.18233	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1791
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03938	1.0
55.01858	1.5
55.05252	0.9
55.05497	9.2
57.03427	1.2
57.07049	2.7
65.03898	0.8
67.05496	8.9
69.03420	3.6
69.07057	25.8
71.08614	1.0
71.62753	1.7
71.63152	0.8
79.05486	10.2
79.95605	0.8
81.07045	13.7
83.04963	4.1
83.08604	9.0
85.06547	1.0
91.05460	7.4
93.07028	32.4
95.04939	3.0
95.08592	51.4
96.08928	0.9
97.06520	1.2
97.10163	7.1
102.04640	2.0
103.05477	6.2
105.07009	9.3
107.04938	1.9
107.08578	38.7
108.08905	0.9
109.06489	2.5
109.10140	25.1
110.10457	1.3
111.11723	1.4
115.05399	1.0
117.06985	3.5
118.04152	5.7
119.08558	6.0
121.06470	3.1
121.10123	50.7
122.10461	1.2
123.08031	1.6
123.11687	4.3
129.06969	1.2
130.04158	4.8
131.04935	5.6
131.08557	7.0
133.10112	15.5
135.08057	9.7
135.11668	34.3
137.09563	1.9
143.08559	1.0
145.10062	6.9
147.04407	2.7
147.11684	5.8
148.05153	2.5
149.09595	3.3
149.13245	12.3
150.02618	1.1
158.10881	3.3
163.07510	1.0
163.11128	3.0
163.14790	2.6
173.09592	3.0
173.13254	9.0
176.04648	6.9
177.07732	0.8
190.18285	0.8
191.03320	1.7
191.06998	13.6
191.08563	2.6
191.10628	15.1
191.14291	40.3
191.17921	100.0
192.06587	2.4
192.10208	0.8
192.18483	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01862	3.5
55.05494	1.4
63.17071	0.5
67.05487	1.1
69.03412	3.4
69.06717	0.7
69.07059	10.6
69.95657	2.9
69.95997	0.5
73.61483	0.5
76.80047	0.5
79.05476	2.3
81.07038	3.1
83.04957	1.8
83.08591	0.7
91.05460	4.6
93.07034	9.5
95.04937	1.6
95.08594	3.5
97.06505	1.8
103.05466	2.8
105.07018	4.2
107.04937	1.2
107.08575	10.5
109.06503	2.4
109.10130	1.3
115.05406	0.6
115.73671	0.5
117.06995	1.1
118.04146	0.7
119.08584	2.9
121.06489	12.4
121.10126	7.6
123.08026	1.7
130.04161	0.7
131.04903	2.4
131.08542	4.7
133.10112	7.9
135.08041	7.2
135.11638	3.0
137.09605	1.0
143.08495	0.8
145.10103	4.2
147.11670	20.3
148.05188	1.4
149.09583	3.1
149.13248	6.7
158.10878	1.2
161.09627	3.3
163.07486	2.5
163.11160	1.5
163.14781	1.9
173.09636	0.9
173.13235	7.5
176.04616	1.3
176.11888	1.2
191.07037	4.1
191.10779	2.8
191.14278	100.0
192.14700	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	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.05513	9.1
57.07058	2.8
65.03927	1.5
67.05493	17.1
69.03412	5.8
69.07059	10.2
69.70597	8.2
71.04987	42.1
74.52367	1.0
79.05058	1.3
79.05485	17.3
81.07050	18.7
83.04966	3.8
83.08597	2.9
85.06533	6.0
91.05467	26.9
93.07032	24.0
95.04958	22.8
95.08042	2.0
95.08597	24.8
97.06512	6.1
97.10168	1.6
98.20791	1.1
103.05455	13.5
105.07018	40.5
107.04931	3.9
107.07851	2.1
107.08583	43.1
107.84425	1.0
109.06515	18.0
109.10147	22.7
111.08057	1.2
115.05441	3.2
116.06207	3.0
117.07010	12.4
118.04153	5.4
119.04924	1.2
119.08559	23.5
121.06507	8.0
121.10131	49.8
123.08055	100.0
123.11697	3.6
128.06233	1.4
129.06978	7.8
130.04135	1.6
130.07750	3.1
131.04918	13.8
131.08556	52.7
133.02849	2.7
133.06464	1.8
133.10121	36.7
135.08037	27.9
135.11678	12.7
141.06888	1.0
143.08536	14.0
144.09299	4.6
145.06479	2.0
145.10109	33.6
147.11668	16.1
148.05180	8.0
149.09634	8.2
149.12044	1.3
149.13237	17.1
157.09930	1.6
158.10895	18.4
159.04462	1.2
159.08055	1.2
163.07507	11.0
163.11209	5.2
163.14749	6.1
171.11662	1.4
173.09750	1.9
173.13252	51.4
176.04669	5.6
191.03316	2.3
191.07004	21.3
191.10664	13.4
191.14288	60.8
191.17915	14.9
192.14696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24466	0.4
53.03942	0.9
53.19717	0.5
55.05502	2.9
57.07058	1.2
65.03949	0.5
67.05488	2.4
69.03420	7.3
69.07047	3.1
70.61037	0.9
70.61408	1.0
71.04993	1.2
72.38345	0.4
79.05472	5.2
81.07051	4.9
83.04971	2.1
85.06544	0.7
91.05456	4.8
93.07039	5.2
95.04970	1.1
95.08594	2.8
97.06528	0.9
103.05442	1.0
105.07014	10.0
105.07681	0.9
107.04935	3.3
107.08582	16.1
109.06506	1.7
109.10138	6.8
115.05434	0.8
117.06992	1.3
118.04056	0.5
119.08571	3.4
121.06493	2.0
121.10125	11.1
122.07284	1.7
123.08035	2.0
129.06984	0.7
131.04872	1.3
131.08554	5.3
133.10109	100.0
134.10446	1.8
135.08049	4.1
135.11650	2.6
137.09598	14.9
140.14351	0.5
143.08514	1.3
144.09308	1.1
145.10069	2.8
147.11644	2.8
149.09599	1.9
149.13235	10.9
158.10860	2.3
163.07515	0.9
163.14740	1.8
173.09404	0.6
173.13239	12.4
176.04805	0.6
191.06992	1.8
191.10648	1.5
191.14279	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.63713	1.2
53.03936	3.3
55.01863	1.6
55.05511	9.7
57.03420	3.6
57.07061	2.9
59.04994	2.8
62.79726	1.2
65.03906	1.3
67.05498	12.3
69.03406	6.1
69.07058	14.9
70.15176	6.6
71.04972	6.1
77.03933	1.4
78.33419	1.2
79.05487	13.2
80.31322	1.6
81.07053	16.7
83.04965	7.7
83.08601	5.1
85.06529	18.1
91.05468	23.1
92.98550	1.6
93.07032	28.9
95.04948	5.8
95.08594	22.4
97.06522	9.4
99.08012	1.2
103.05455	1.7
105.07015	46.8
107.04953	3.5
107.07851	2.8
107.08581	56.8
109.06481	9.7
109.10133	6.9
111.08083	2.6
115.05418	3.1
116.06205	1.8
117.06997	8.3
119.08560	32.7
121.06495	10.8
121.10133	26.1
121.53544	1.3
123.08028	5.1
129.06995	3.5
130.07761	2.0
131.04820	1.6
131.08557	54.3
133.10109	71.2
135.08041	18.8
135.11659	5.0
137.09593	3.5
143.08531	8.4
144.09270	4.5
145.10100	24.7
147.11667	32.7
149.09570	8.2
149.13257	15.9
158.10895	14.3
161.13243	4.2
163.14787	16.4
173.13239	67.9
174.13533	1.8
188.54918	3.1
191.06975	3.9
191.14285	100.0
192.14670	1.5
212.16098	1.3
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
50.08355	0.4
50.55445	0.4
50.67300	0.4
53.03938	0.8
55.01851	0.7
55.05505	4.0
57.03444	0.9
57.07065	1.2
65.03927	0.4
67.05496	3.2
69.03418	9.2
69.07057	4.2
69.35555	4.5
71.04970	0.8
77.97262	0.4
79.05479	6.2
81.03404	0.5
81.07042	6.2
82.52129	0.4
83.04967	2.1
83.08617	0.4
91.05464	6.2
93.07027	6.2
95.04954	1.4
95.08588	3.2
97.06494	0.9
103.05438	3.4
105.07013	9.9
107.04934	3.7
107.08580	19.1
109.06489	2.5
109.10146	6.3
111.08023	0.7
115.05448	1.3
117.06980	2.1
118.04173	1.4
118.07806	0.7
119.08570	4.8
121.06481	3.0
121.10126	12.9
122.07272	4.0
123.08085	2.0
129.06964	0.7
130.04074	0.7
131.04926	2.7
131.08540	6.6
133.10110	100.0
134.10443	1.9
135.08038	6.2
135.11653	2.6
137.09595	20.9
143.08557	1.4
144.09312	0.6
145.06497	0.9
145.10081	4.0
147.11652	6.1
148.05183	1.2
149.09605	1.6
149.13237	11.4
158.10893	3.2
161.09561	0.8
163.07494	2.6
163.11189	1.0
163.14803	2.1
173.05981	1.0
173.13245	12.7
176.04692	1.9
191.07022	4.7
191.10648	1.9
191.14282	29.4
191.17932	0.9
192.14543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05281	0.4
55.05503	3.0
56.93553	0.4
57.03426	0.4
57.07060	1.1
67.05494	2.5
69.03416	6.1
69.07060	3.3
70.64363	1.2
70.81512	0.4
71.04961	0.9
72.21492	0.4
79.05480	3.2
81.03421	0.4
81.07052	3.9
83.04961	1.1
83.08595	0.9
91.05463	4.8
93.07037	4.8
95.04933	1.0
95.08592	2.9
97.06519	0.6
98.73614	0.3
103.05434	0.8
105.07011	9.3
107.04955	1.8
107.08577	15.0
109.06519	2.1
109.10140	7.9
115.05439	0.9
117.06986	1.5
118.07786	0.4
119.08559	2.8
121.06504	1.6
121.10127	12.1
122.07274	2.2
123.08061	1.7
131.04950	0.6
131.08537	5.9
133.10107	100.0
134.10451	1.4
135.08020	4.6
135.11678	2.1
136.66277	0.3
137.09596	15.6
143.08553	1.3
144.09360	0.4
145.10092	2.9
147.11676	2.5
149.09607	1.6
149.12044	0.6
149.13235	10.2
158.10847	2.3
163.14796	2.3
164.26807	0.4
173.13252	10.3
190.09734	0.4
191.07068	1.0
191.10620	0.6
191.14288	18.8
191.17941	1.3
192.14584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03941	0.7
55.05505	3.4
57.03451	0.4
57.07078	1.0
66.40268	0.4
67.05490	2.3
68.00406	0.3
69.03418	7.3
69.07058	3.1
69.37776	3.0
76.42832	0.3
79.05481	4.8
81.03402	0.4
81.07045	4.9
83.04980	1.4
83.08614	0.8
91.05476	4.5
93.07035	4.2
95.04933	0.7
95.08596	2.8
97.06544	0.6
103.05456	3.0
105.06301	0.5
105.07015	9.2
107.04950	2.7
107.08582	17.3
109.06501	1.5
109.10138	5.8
115.05459	0.6
117.07012	1.0
118.07796	0.8
119.06081	0.4
119.08553	3.0
121.06509	1.7
121.10128	11.3
122.07281	2.0
123.08044	1.3
131.04909	3.5
131.08549	4.9
133.10112	100.0
134.10420	1.7
135.08041	3.9
135.11652	2.2
137.09595	17.6
143.08557	1.0
145.10114	3.1
147.11636	2.6
149.09648	1.6
149.13243	10.5
158.10895	2.3
159.04416	1.0
163.07500	2.9
163.11241	0.4
163.14786	2.7
173.11740	0.5
173.13235	9.5
173.14682	0.7
176.04663	1.1
176.11879	0.5
184.13242	0.3
191.03520	0.3
191.07036	2.8
191.14276	21.2
192.14680	0.5
192.36096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01853	0.4
55.05508	2.0
56.73310	0.3
57.07056	1.1
59.04987	0.4
67.05489	1.1
69.03416	9.0
69.07056	3.6
69.63322	2.4
71.04967	0.7
79.05472	2.5
81.07050	2.0
83.04969	7.2
83.08589	1.0
85.06519	0.6
88.06656	0.3
91.05462	2.9
93.07034	3.4
93.16918	0.3
95.04951	0.8
95.08597	2.6
97.06503	1.1
103.05408	0.6
105.07009	4.0
107.04931	1.1
107.08580	12.8
109.06484	1.4
109.10118	1.3
111.08060	0.5
117.06990	0.9
119.08553	3.4
121.06490	2.3
121.10123	6.5
123.08046	1.1
129.06996	0.6
131.04872	0.6
131.08542	6.6
131.60394	0.3
133.06546	0.4
133.10110	11.8
135.08031	7.9
135.11668	1.7
136.08749	0.4
137.09572	1.0
143.08517	1.7
145.10088	3.5
147.11684	4.2
148.08815	0.5
149.09593	2.5
149.13237	3.7
158.10889	4.3
161.09593	2.8
163.07590	0.5
163.11151	0.5
163.14850	0.9
173.13240	10.6
176.11905	1.7
191.14276	100.0
192.14604	2.3
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
53.03946	0.3
55.01871	0.3
55.05282	0.2
55.05502	2.1
57.07051	0.7
59.04994	0.4
67.05503	1.8
68.60892	0.2
69.03065	0.5
69.03419	5.7
69.07056	3.0
69.98060	0.2
70.88264	0.9
71.04974	0.8
79.05485	2.1
81.07038	2.3
83.04973	6.1
83.08594	1.1
84.07683	0.4
84.08142	3.0
85.06527	0.6
91.05457	2.3
92.08283	0.3
93.07026	3.3
93.68064	0.3
95.04943	0.7
95.08586	2.4
97.06496	0.9
103.05431	0.7
105.07016	3.1
107.04929	0.7
107.08582	11.4
109.06503	1.2
109.10175	1.6
115.05400	0.3
117.06989	0.7
119.08557	2.5
121.06487	2.5
121.10128	6.6
123.08032	1.1
129.06992	0.4
130.07655	0.3
131.04895	0.7
131.08554	5.4
132.08879	0.2
133.10114	10.9
135.08029	6.3
135.11647	1.6
137.09586	1.0
143.08562	1.3
144.09361	0.5
145.06340	0.2
145.10106	3.1
147.11670	2.7
148.05165	0.4
148.08742	0.4
149.09607	2.0
149.13240	2.8
158.10892	3.0
161.09616	2.3
163.07471	0.8
163.11153	0.4
163.14790	1.0
171.11633	0.3
173.13240	10.0
174.13472	0.2
176.11957	0.9
178.45013	0.2
191.03375	0.5
191.07050	1.9
191.14279	100.0
192.14806	2.6
192.17451	16.3
196.65619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01861	4.7
55.05499	7.3
55.62286	0.7
56.96557	34.5
57.03429	14.7
57.07051	2.5
58.03733	0.8
58.99848	1.5
59.04978	1.3
60.04501	1.5
60.95811	0.7
61.01139	0.8
61.02922	8.3
65.03926	0.7
67.05490	2.0
68.05010	1.3
69.03063	1.2
69.03420	15.3
69.07059	1.7
70.06583	0.8
70.25322	2.8
70.98113	0.8
71.01357	3.8
71.04971	2.6
72.93780	1.1
73.02908	16.7
73.06527	3.2
74.06053	1.1
74.97586	1.6
75.04450	3.0
77.00859	1.7
79.05479	1.8
80.28851	0.7
81.03401	6.0
81.07022	1.4
82.01435	0.9
82.99823	0.8
83.04946	2.5
83.08611	0.8
84.08130	1.0
84.96000	1.7
85.02888	18.3
85.06525	1.4
86.03664	1.0
87.04447	1.9
89.00758	1.0
90.94807	1.4
91.05482	3.3
92.01270	1.3
93.07011	1.1
94.02684	0.8
94.04189	0.7
95.01955	0.8
95.04944	1.2
95.08603	1.0
96.01529	1.4
97.02279	1.5
97.02869	15.1
98.01287	1.5
98.21445	0.7
98.97573	17.7
99.04429	3.6
100.02474	9.6
100.70174	0.7
100.99113	3.2
101.00855	13.6
101.02390	1.8
102.00938	0.9
102.01535	1.3
102.02319	0.8
103.00616	1.2
103.02410	0.8
103.03209	1.0
103.03912	2.4
104.01263	2.2
105.00354	1.6
105.02145	2.0
105.07010	1.4
106.02695	2.2
107.03490	0.8
107.04923	3.6
107.08557	2.2
109.01369	1.3
109.02849	4.9
110.01244	2.2
110.97556	3.2
111.02043	1.1
111.02882	1.1
111.04418	2.1
112.01023	0.8
112.99096	2.1
113.00853	1.3
113.02455	0.7
113.03438	1.6
113.98660	0.9
114.02448	1.2
115.01165	1.8
115.02396	6.2
115.03190	2.2
115.03925	0.8
116.01289	1.1
116.98599	16.3
117.02039	2.7
117.04591	1.1
118.01006	1.8
118.01805	1.4
118.02742	1.1
118.03511	8.8
119.00201	4.6
119.01900	78.2
120.02003	2.9
120.52161	1.4
121.01636	7.8
121.02827	1.8
121.06458	1.0
121.10117	1.0
121.52953	0.8
122.02159	0.7
122.05860	0.7
122.51640	1.2
123.02048	0.9
123.02922	1.8
124.03725	1.9
125.01764	1.0
125.03559	1.3
127.01505	4.6
127.02372	2.5
127.03899	5.1
128.02316	3.3
128.98610	7.4
129.02914	1.3
129.03876	1.5
130.02731	1.0
130.03639	1.2
131.00212	4.6
131.01874	9.9
131.03506	1.8
131.04552	0.8
131.05585	4.3
131.08566	1.3
131.96162	0.9
131.97391	0.9
131.99670	2.8
132.01863	0.8
132.04248	0.9
132.95787	0.9
133.01598	2.8
133.03432	8.0
133.04262	1.2
133.10057	1.4
133.52899	0.8
134.03839	0.9
134.99648	10.7
135.03087	2.1
135.07996	2.1
135.11739	0.8
136.03676	1.3
137.01913	0.9
137.02931	26.2
137.04564	1.1
137.04913	1.2
137.05931	9.9
138.03285	1.3
138.05423	0.9
139.02574	1.7
139.04202	1.5
140.02258	2.2
140.98587	1.0
141.03931	1.6
142.03484	2.7
143.00143	1.6
143.01880	7.0
144.03416	1.7
144.04979	0.8
144.98106	1.3
144.99829	0.8
145.01631	1.3
145.03391	36.5
145.10074	0.9
146.02260	1.9
146.03542	0.8
146.99635	10.2
147.00880	0.9
147.01328	1.3
147.03104	2.3
147.04227	1.4
148.03726	1.1
148.05115	0.8
148.08737	1.0
149.01196	16.3
149.02872	2.7
149.04747	8.8
149.06561	7.2
149.54193	1.1
149.96092	1.8
149.97195	1.8
150.00714	3.3
150.03964	2.6
150.05170	0.8
150.96840	2.3
151.02554	1.0
151.04442	1.1
152.02203	1.9
153.00629	2.0
153.02948	0.9
153.05666	0.9
154.04695	1.3
155.01807	3.6
155.05547	1.7
156.05032	1.2
157.03455	2.6
158.54390	2.8
158.99666	3.4
159.03123	1.0
159.04980	2.6
160.04578	1.5
161.01245	2.2
161.02902	11.0
161.04512	3.6
161.06583	3.3
162.04471	1.3
162.06619	0.9
162.99121	3.4
163.02670	2.0
163.04506	11.1
163.55331	0.8
165.00636	4.5
165.04042	1.2
167.02242	7.9
167.05756	3.1
167.55222	2.3
167.97198	1.8
168.01459	1.3
168.05040	27.2
168.55260	0.8
169.03477	7.8
170.03656	1.4
170.05127	2.8
170.99611	2.2
171.05154	1.0
172.97539	1.0
173.01396	1.7
173.02937	7.7
173.06575	79.3
173.13171	1.4
174.06694	2.5
175.02612	1.2
175.04480	1.7
177.00650	3.8
177.04271	2.3
179.04152	0.9
179.05600	4.4
179.07562	1.9
179.55295	3.7
180.55994	1.7
181.03473	1.7
182.03371	1.0
182.05972	0.9
183.01697	1.8
185.01303	1.3
185.02939	3.8
186.03116	0.8
186.06088	7.8
187.04517	7.0
189.00691	4.7
190.05698	1.0
190.98604	2.8
191.02136	2.2
191.04123	6.5
191.05872	16.4
191.07617	100.0
191.14270	4.5
191.99594	0.9
192.05214	1.0
192.07809	2.9
194.04187	1.2
195.01640	1.1
195.05113	2.1
196.08170	1.6
197.02995	0.9
199.04445	1.9
201.00729	2.6
203.03964	3.5
205.05550	1.4
205.09166	0.9
207.01663	1.0
208.99712	4.4
209.03204	1.5
211.04628	0.9
214.09239	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	190.0495
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
58.74250	0.2
66.82851	0.2
70.67194	0.3
70.67551	0.6
76.74427	0.2
81.33172	0.2
89.03915	0.7
98.21507	0.2
107.90903	0.2
112.13537	0.2
116.04954	2.7
134.05994	0.4
144.04390	0.5
162.05470	100.0
163.05832	2.3
169.53229	0.2
190.04955	44.9
191.05287	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1257
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99057	0.4
55.05510	0.6
56.17081	0.3
56.96535	0.3
57.07065	17.7
59.99098	2.9
61.39357	0.3
62.99073	0.6
63.70725	0.3
65.03928	0.6
67.05477	0.9
69.03402	0.5
69.07021	0.4
70.65148	0.3
71.62337	0.6
78.00138	29.2
79.05465	1.2
81.07024	1.4
83.04982	0.5
84.08136	0.8
85.42303	0.3
86.09690	7.7
88.02212	0.5
91.05453	1.0
92.01675	1.2
93.07018	1.0
93.82674	0.3
95.04964	0.7
95.08601	1.0
97.06502	0.3
101.79462	0.3
102.04639	0.4
103.05426	2.1
105.03349	0.5
105.07028	1.7
105.73991	0.3
106.07334	0.7
107.08569	2.2
109.06488	0.6
109.10123	0.7
115.05418	0.5
116.05274	0.8
117.07001	0.7
118.04131	1.2
119.04887	0.3
119.08538	1.1
120.08901	0.6
121.02793	0.5
121.06469	0.6
121.10104	1.3
123.08044	0.5
123.11682	0.4
130.04117	0.5
131.04895	1.2
131.08525	1.5
133.10109	3.0
134.06329	35.7
134.10379	0.8
135.06596	0.6
135.07997	1.0
135.11621	0.6
143.08498	0.5
145.10040	0.7
146.10439	0.5
147.04427	1.9
147.11644	0.7
148.05161	0.9
148.07848	3.2
148.12013	0.7
149.02330	2.9
149.05988	0.4
149.09569	0.5
149.13260	0.8
157.09650	0.7
158.10815	0.4
160.05113	0.5
162.05432	0.7
163.07501	1.4
163.11098	0.4
163.14932	0.4
164.52638	0.4
166.27649	0.3
172.11929	1.0
173.05980	0.4
173.09576	0.4
173.13229	1.2
175.03831	0.7
176.04633	0.9
182.48064	0.3
190.06284	3.6
190.12570	100.0
191.03426	0.4
191.07028	3.0
191.10617	1.1
191.12814	1.8
191.14302	3.4
191.17947	1.0
208.51622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1634
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
54.03457	0.9
55.05501	5.1
59.06117	1.1
66.03448	3.6
67.02966	1.9
67.05499	6.6
67.19112	0.9
68.05042	1.0
69.04521	0.7
69.07057	9.6
70.06570	0.9
71.63084	1.0
71.63490	1.4
71.87429	0.8
73.04073	0.8
79.05464	1.3
80.04993	2.5
81.04521	2.8
81.07047	5.3
83.08589	3.1
91.05460	6.0
93.04510	1.1
93.07034	4.0
94.03992	0.9
95.06062	2.5
95.08594	57.0
96.08946	0.8
97.23339	0.8
105.04499	1.2
105.07017	20.2
107.06075	10.0
107.08582	15.2
108.05573	2.5
108.06841	0.9
109.06419	1.1
109.07641	3.8
109.10130	7.3
110.07146	7.2
110.08371	1.0
111.07932	1.8
117.07012	1.3
119.06070	1.6
119.08566	54.6
120.05582	2.4
120.08911	0.9
121.05084	1.0
121.07599	2.9
121.10155	4.0
122.07124	4.4
131.08542	6.0
132.05577	0.8
132.06830	0.9
133.10112	39.3
134.07080	1.8
136.08711	1.1
143.08565	0.9
145.07529	0.9
145.10091	6.8
146.07080	0.9
146.10866	2.5
147.06648	2.4
147.07956	1.3
147.11674	30.2
148.08673	14.4
148.11989	1.6
149.02310	2.4
149.08177	5.4
149.09436	5.5
150.08986	5.4
156.09335	1.9
159.11671	2.7
160.12396	3.2
161.13213	8.4
162.08743	0.8
162.10266	2.9
163.09795	3.0
171.11612	4.6
172.08694	1.6
173.08212	2.4
174.13985	1.5
189.07672	1.2
189.08975	5.4
189.11304	16.6
189.12769	8.9
189.16354	100.0
190.10822	10.6
190.16679	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	189.1634
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
52.30976	0.8
55.05508	5.9
55.22648	0.9
65.03908	0.9
67.05507	6.1
69.03407	1.8
69.07054	9.4
71.49584	0.8
77.03926	1.4
79.05467	3.6
81.07059	6.9
83.08611	2.8
91.05462	8.7
93.07023	4.7
95.08595	48.5
97.29071	0.9
105.07018	26.3
107.08573	12.9
109.10140	5.3
111.04416	1.0
115.05440	1.0
117.06979	1.3
119.04916	1.0
119.08565	68.9
120.08852	1.2
121.10145	6.8
128.06212	1.3
129.07011	1.5
130.07713	1.1
131.08531	7.4
133.06462	1.6
133.10114	37.7
141.06960	1.4
142.07658	1.1
145.10100	9.6
146.10840	3.8
147.08014	2.6
147.11671	34.0
148.12059	1.0
149.02338	9.0
156.09338	9.7
159.08051	1.5
159.11646	6.0
160.12376	2.2
161.05870	1.2
161.09639	2.0
161.13217	6.6
171.11653	11.9
174.10429	1.5
174.14078	1.1
189.05533	1.1
189.09067	4.1
189.12730	30.6
189.16356	100.0
190.13092	1.1
190.16693	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	4.4
69.79986	3.1
79.05482	0.8
91.05465	2.6
91.80036	0.6
95.04936	1.0
98.20851	1.4
105.07018	7.9
107.08567	1.7
117.07005	2.7
119.08571	12.7
128.06213	2.4
129.06958	2.3
130.07787	4.0
131.08560	4.7
133.06467	1.6
133.10091	3.4
141.06964	6.9
143.08548	4.7
144.09319	2.4
145.06464	0.9
145.09027	1.3
145.10106	17.8
147.08025	5.1
147.11676	12.1
149.40570	0.7
155.08533	2.0
156.09328	49.0
157.09688	1.4
159.08031	2.9
159.11671	12.8
160.08746	0.7
161.09633	1.5
161.13197	1.6
169.53148	0.7
171.11664	63.6
172.12041	1.4
174.10345	7.2
189.12720	100.0
190.13026	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	189.1635
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03925	0.6
55.05504	4.1
55.87109	0.3
57.07061	0.9
63.46286	0.3
65.03902	0.5
67.05494	3.4
69.03403	1.0
69.06724	0.4
69.07060	6.3
69.70972	2.5
79.05469	2.0
81.07040	4.8
83.04967	0.7
83.08601	2.6
88.23414	0.4
91.05459	6.3
92.77484	0.3
93.07028	3.5
95.04961	0.5
95.08589	17.1
96.08964	0.3
97.10141	0.4
103.05373	0.3
105.07016	24.2
106.50275	0.3
106.90460	0.6
107.08575	7.3
109.06535	0.5
109.10133	2.4
115.05444	0.9
117.06995	1.5
118.02113	0.3
118.07712	0.3
119.08563	37.9
120.08890	0.6
121.02834	0.3
121.06522	0.5
121.10123	3.6
128.06201	0.9
129.06990	1.1
130.07768	0.8
131.08546	5.8
133.06479	0.6
133.10110	26.3
134.10785	0.4
135.11707	0.4
141.06946	0.6
143.08525	1.9
144.09338	0.4
145.10103	6.8
146.10883	2.9
147.08005	1.8
147.11665	28.2
148.12054	0.4
149.02347	1.9
156.09300	6.0
157.09657	0.3
159.08020	1.3
159.11679	4.4
160.08804	0.5
160.12427	1.3
161.05994	0.6
161.09608	1.0
161.13231	6.3
162.05498	0.5
171.11665	9.2
172.09727	0.3
174.10364	1.5
174.14037	3.0
187.14853	0.4
189.05373	0.7
189.09100	3.2
189.12732	23.3
189.16350	100.0
190.13089	0.6
190.16696	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01856	1.6
55.05505	7.3
57.42862	1.0
58.89241	0.9
59.04987	1.3
66.13176	0.9
67.05485	3.9
69.03420	18.8
69.07055	5.1
69.46009	4.1
69.46445	4.9
79.05462	5.6
80.29238	0.9
81.03446	1.2
81.07064	6.7
81.33061	1.0
83.04959	2.9
91.05464	15.1
93.07037	9.4
95.04951	3.4
95.08611	2.7
104.60817	1.2
105.07018	43.2
106.07372	1.2
107.08574	5.5
109.06518	2.9
115.05411	2.3
117.07021	7.3
119.04910	5.0
119.08566	57.9
121.06486	3.1
121.10078	2.0
128.06197	5.1
129.07007	6.9
130.07777	2.0
131.08542	14.8
132.05618	1.6
133.06483	7.4
133.10115	18.4
135.08018	11.6
141.06996	4.0
142.07774	2.9
143.08559	13.5
145.06465	4.1
145.10103	11.7
147.08018	23.7
147.11670	35.7
156.08043	1.6
156.09325	22.1
159.08038	7.6
159.11623	5.7
160.08815	4.7
161.09618	8.3
161.13243	30.3
171.11673	31.5
174.10396	12.0
179.66156	1.0
189.12720	100.0
190.13062	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64731	0.7
55.05507	1.4
56.22598	0.7
66.30392	0.7
67.05473	1.0
69.03423	4.5
70.92806	1.3
79.05483	1.8
81.07062	1.1
91.05483	5.5
93.07014	1.2
95.04964	1.4
95.08559	1.0
103.56367	0.8
105.07016	13.8
107.08574	2.9
114.09381	0.8
117.06999	4.2
119.04961	1.3
119.08558	16.2
121.06462	1.1
121.10152	1.1
128.06216	2.6
129.06990	3.7
130.07770	3.8
130.30791	0.8
131.08563	7.3
133.06465	3.4
133.10092	6.6
141.06931	5.8
142.07719	0.9
143.08559	6.9
144.09303	2.7
145.06496	1.2
145.10107	18.4
146.07277	1.5
147.08028	8.8
147.11667	15.3
155.08511	2.4
156.09331	49.3
157.06425	1.0
157.09738	1.3
159.08052	4.8
159.11667	11.1
160.08801	1.7
161.05972	1.5
161.09605	4.4
161.13197	4.1
171.11674	63.0
172.11986	1.6
173.09537	1.0
174.06752	2.0
174.10370	8.5
189.09169	6.2
189.12721	100.0
189.16220	2.1
190.12993	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.2
61.77346	0.6
64.42257	0.5
67.05476	1.9
69.03422	4.5
69.07030	1.5
71.20667	1.3
73.01552	0.6
79.05463	1.5
81.07022	2.0
81.34346	0.6
83.04967	2.0
90.73299	0.5
91.05465	4.2
93.07030	1.9
95.04947	1.4
99.08694	0.6
105.07008	10.9
107.08562	2.4
109.06477	0.7
117.06986	1.7
119.04932	1.3
119.08559	22.4
121.06470	2.0
121.10121	0.6
124.86852	0.5
128.06204	1.1
129.06955	1.2
130.07724	1.0
131.08556	6.6
132.05710	0.7
133.06462	2.6
133.10095	8.1
135.08009	3.5
141.06973	2.0
143.08484	2.9
144.09293	0.9
145.06476	1.9
145.10098	5.8
146.10893	1.0
147.08009	10.1
147.11667	10.3
149.09627	0.7
155.08438	0.9
156.09308	18.0
159.08025	8.9
159.11632	3.5
160.08797	4.2
161.09558	6.0
161.12173	0.5
161.13223	14.8
171.11659	23.2
171.13121	1.1
172.12013	0.7
174.10379	19.6
189.12703	100.0
190.13078	2.8
205.12454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0703
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
56.57809	0.3
58.74732	0.3
60.04511	0.4
60.84980	0.3
66.89256	0.3
69.03438	0.3
71.06139	0.6
71.06486	0.6
72.77121	0.4
83.04963	0.3
84.04491	1.3
91.05464	2.9
115.05437	4.5
116.04966	0.3
117.05741	1.3
117.07013	4.2
118.06526	56.9
119.06871	1.1
127.05479	0.4
132.08078	0.8
142.06512	5.3
143.07283	9.5
144.04465	0.9
144.08061	23.5
145.06447	0.6
145.08368	0.6
146.05986	100.0
147.06329	2.1
155.06041	0.7
160.07547	1.4
170.05992	7.9
188.07042	28.0
189.07399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15730	0.9
55.01627	1.7
55.01868	27.7
55.05492	2.3
56.96542	2.5
57.03430	42.0
58.99835	1.4
59.04986	5.2
60.04506	0.9
61.02919	9.3
62.03225	0.8
64.14014	0.8
67.05480	1.3
68.99767	1.1
69.03420	11.5
69.80222	5.7
70.06584	1.1
71.01349	19.0
71.04989	5.4
72.04472	1.2
72.08122	3.6
73.02903	18.3
75.04472	2.2
81.03406	2.3
82.99817	1.5
83.01342	5.0
83.04966	3.6
84.08140	2.2
85.01387	1.7
85.02891	11.1
87.00805	2.2
87.04454	23.4
89.02387	5.9
94.02650	2.0
95.01317	3.7
95.04916	1.3
96.85591	1.1
97.02882	4.9
98.21507	1.2
98.97594	1.2
101.00887	12.6
101.02364	52.8
102.02403	1.6
102.52483	1.4
103.02457	9.3
103.03102	1.7
103.03909	7.0
109.03046	1.2
111.00822	6.1
111.02898	1.6
111.04428	1.5
113.02352	4.5
113.03370	0.8
115.02415	4.0
115.03912	54.7
116.07057	1.7
117.01763	1.1
117.02969	0.9
117.03968	5.2
119.01910	44.0
119.08640	1.0
120.01883	1.2
120.02626	1.5
120.03371	1.5
121.01608	5.1
121.03443	3.8
123.02900	2.0
123.52977	1.2
127.00230	2.8
127.02364	1.3
127.03922	3.7
129.01830	15.3
129.02811	1.9
129.03941	8.4
130.03683	2.3
130.08627	1.6
131.01889	6.6
131.03423	1.7
132.03435	1.9
133.03400	4.9
133.04970	1.5
135.05031	4.6
137.02902	10.2
138.03375	2.7
139.00233	3.2
141.01814	1.0
143.01883	4.7
143.03383	5.5
145.03378	9.9
146.03194	1.8
146.99580	1.7
147.01311	2.9
147.05005	63.3
148.05083	3.9
149.02829	1.0
149.04726	1.2
150.53453	1.1
152.69345	1.0
153.02092	0.9
153.03984	1.2
154.04765	1.0
155.01871	1.1
157.01308	50.7
157.03358	1.7
159.01469	1.6
159.02847	4.8
159.03955	1.9
159.04976	10.3
160.04694	1.1
161.02919	7.6
162.05502	1.1
163.02658	1.3
163.04478	3.4
165.06082	20.8
166.06233	1.2
168.04521	3.3
169.03400	1.8
169.05272	1.0
171.01451	1.2
171.02852	1.9
171.03561	1.3
171.05002	17.0
172.09674	1.3
173.02921	3.3
175.02386	4.9
175.04556	1.2
177.02428	2.0
177.04926	2.9
177.06139	3.6
177.55038	1.5
178.05827	1.6
185.02966	3.7
187.04390	1.1
189.02429	3.8
189.04173	3.3
189.06052	100.0
189.12578	1.7
189.15985	1.2
190.06230	4.1
199.04399	1.0
203.03946	1.9
207.03470	2.6
207.07089	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	187.1328
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.20262	0.8
53.03932	1.7
53.83798	0.9
55.05507	5.0
57.07070	2.1
58.92825	0.8
59.04986	3.3
66.26225	1.0
67.05501	6.0
69.03421	2.0
69.07065	18.6
69.21060	0.9
71.04988	26.4
71.61494	1.5
73.06568	0.8
76.40871	0.8
79.05487	16.2
81.03430	1.2
81.07051	100.0
83.04971	6.0
83.08607	1.0
84.29149	0.8
85.06535	1.8
89.27137	0.9
91.05473	2.8
93.07037	4.0
95.04950	2.8
95.08600	2.9
97.06520	4.7
97.10178	1.5
99.04467	0.9
99.08080	6.1
105.07038	2.4
107.08593	10.6
109.06503	3.0
109.10143	18.2
111.08058	3.7
111.11710	8.8
118.83681	1.0
121.10126	2.8
123.08048	1.7
123.11703	20.1
127.03900	4.3
131.08560	1.1
133.10130	2.9
139.11137	9.2
141.05479	1.4
141.12679	1.5
151.11160	14.0
155.03378	4.8
157.12248	5.0
159.08136	1.2
159.11684	2.2
169.12239	7.9
172.08844	2.1
187.04077	1.0
187.07561	1.6
187.11179	5.5
187.13303	2.6
188.09190	1.4
199.18675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1326
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03939	1.8
55.05509	5.8
55.23957	1.1
55.65608	1.2
57.03402	1.5
57.07063	2.5
59.04968	2.3
60.43040	1.2
65.03935	1.1
67.05494	6.1
69.03419	1.5
69.07057	20.7
69.63863	8.3
69.64255	2.2
71.04980	29.9
79.05476	16.8
81.07043	100.0
82.07383	1.2
82.35559	1.1
83.04963	6.8
83.08627	2.3
84.04485	2.2
85.02878	2.8
85.06524	3.2
87.08089	1.7
89.06003	1.5
91.05456	2.4
93.07032	5.1
95.04961	2.4
95.08569	3.8
95.42702	1.1
97.06497	6.6
97.10145	2.3
98.21475	1.8
99.04446	1.5
99.08091	5.5
104.43533	1.0
105.06992	3.3
107.08578	14.5
109.06500	2.9
109.10132	22.1
111.08084	4.0
111.11723	8.4
111.31693	1.1
119.08545	1.6
121.10111	3.0
123.08085	2.2
123.11684	24.5
127.03903	1.3
129.07013	1.6
131.08553	3.8
133.10097	5.0
133.11005	1.3
139.11171	10.6
141.06952	1.9
144.05711	8.5
145.10103	3.1
151.11163	14.9
155.03329	1.4
157.12245	5.4
159.08066	2.6
159.11612	2.4
169.12233	8.6
172.05185	9.3
172.08827	2.5
187.03868	1.7
187.07512	32.5
187.11104	7.3
187.13222	3.4
187.14757	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	184.0603
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
50.01960	0.5
52.75854	0.6
56.05036	0.6
56.96557	3.2
57.03440	0.8
61.53619	0.5
61.63652	0.5
65.03941	1.0
69.03418	1.3
70.06609	0.5
70.84306	1.9
71.01332	0.5
73.02905	0.8
81.83795	0.6
82.06567	0.6
82.99840	1.1
83.04951	0.6
85.02891	0.9
88.92706	0.5
92.05000	1.4
97.02894	0.9
98.97574	1.3
101.00861	15.7
101.95031	1.8
102.00960	1.2
102.96852	1.8
110.06013	1.3
111.02050	0.7
113.52423	0.5
115.47688	0.5
116.98610	1.0
119.01901	84.3
119.96066	1.3
120.01978	4.3
120.04446	1.7
120.97881	1.3
123.99332	0.6
124.02432	0.7
131.53275	0.7
136.07579	1.1
137.02937	30.0
137.05980	0.7
138.03111	1.2
138.05466	4.6
140.53873	1.4
141.81519	0.6
142.03476	22.8
143.03688	3.5
144.03215	0.6
148.03906	72.9
149.04305	1.2
149.54364	0.7
156.03461	0.7
160.04568	6.8
161.01595	0.6
161.02930	10.0
161.04416	2.1
161.04666	2.0
166.04974	100.0
167.05322	1.8
179.03979	14.6
179.05487	1.0
184.04584	0.7
184.06021	21.8
184.09543	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	184.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95642	0.4
58.62604	0.4
69.88353	2.1
81.86900	0.4
82.99821	1.1
98.20762	0.5
101.00858	19.8
102.00939	1.1
119.01900	100.0
120.01981	5.0
121.02365	0.4
124.02406	1.5
137.02933	36.4
138.02971	1.9
142.03476	28.5
143.01865	0.4
143.03589	2.4
144.03200	0.4
160.04535	10.4
161.02937	14.0
161.04576	1.9
162.04214	0.4
165.05112	0.9
179.03983	20.8
180.04120	0.4
184.04500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.2
55.05507	0.1
56.96553	1.0
57.03425	0.5
58.99856	0.1
60.00637	0.2
60.04498	0.1
61.02914	0.4
69.03416	0.6
69.74810	0.2
69.75207	0.6
70.03724	0.1
70.06570	0.1
70.98109	0.1
71.04973	0.1
73.02891	0.6
74.03211	0.1
77.00882	0.1
80.94987	0.1
81.03418	0.1
82.01430	0.1
82.99797	0.9
83.04958	0.3
84.96027	0.1
85.02899	0.6
86.03189	0.1
87.04475	0.1
89.00788	0.2
95.02509	0.1
97.02863	0.4
98.97562	0.4
99.04405	0.1
100.02466	0.4
100.51540	0.2
101.00859	18.7
101.95005	0.5
102.00925	0.9
102.01559	0.1
102.02243	0.2
102.96849	0.4
103.00626	0.2
103.01289	0.1
107.04964	0.1
110.05974	0.1
111.02044	0.2
111.04427	0.1
113.00907	0.1
113.10675	0.1
115.02431	0.3
116.98602	0.3
117.03964	0.1
118.01011	0.1
118.03510	0.5
119.01900	100.0
119.96025	0.2
119.98222	0.1
120.01974	5.0
120.97892	0.4
121.01575	0.6
121.02342	0.3
121.03092	0.2
121.97540	0.2
122.52765	0.1
123.02891	0.1
124.02417	1.8
125.02567	0.2
125.07190	0.1
127.03878	0.2
130.03664	0.1
131.01862	0.7
132.00768	0.1
132.03369	0.1
133.01640	0.5
133.03447	0.5
134.99666	0.1
136.07564	0.4
137.02931	36.4
137.08301	0.3
137.97034	0.1
138.03026	1.6
138.05449	0.2
138.09117	0.1
138.53476	0.1
138.98874	0.2
139.03381	0.1
140.53819	0.2
142.03473	24.6
143.00150	0.1
143.01903	1.2
143.03613	2.9
143.05357	0.1
144.02245	0.1
144.03168	0.5
145.01572	0.1
145.03381	0.2
146.99615	0.1
147.03114	0.1
147.04962	0.2
148.03847	0.1
148.07489	0.1
149.02922	0.1
150.01778	0.1
151.02621	0.2
151.04544	0.1
155.01788	0.1
156.01939	0.1
156.03220	0.3
156.05022	0.1
157.03423	0.2
158.06564	0.2
159.04929	0.1
160.04532	8.5
160.95998	0.1
161.02936	11.7
161.04602	2.8
161.06442	0.6
162.03146	0.5
162.04205	0.5
165.05104	0.8
165.96449	0.1
166.04991	0.5
166.08604	1.3
169.03450	0.2
172.04877	0.1
173.02985	0.3
174.03018	0.1
175.02727	0.2
178.05640	0.1
179.03978	15.7
179.05499	1.0
180.04027	0.6
180.05531	0.2
183.06134	0.1
183.97527	0.1
184.02863	0.1
184.04547	0.9
184.06017	0.3
184.09637	3.0
184.13229	0.2
185.02922	0.2
187.02805	0.1
187.04436	0.2
202.05528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1378
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
50.51405	0.5
53.03944	3.3
55.01864	3.4
55.05505	19.8
57.03424	4.0
57.07059	2.3
58.54958	0.5
61.02887	0.8
65.03931	1.8
67.05496	30.1
68.05847	0.7
69.03422	5.8
69.07059	24.7
70.32748	2.7
71.04982	12.2
79.05479	15.3
81.03413	1.2
81.07045	100.0
82.07372	2.2
82.55296	0.5
83.04967	8.1
83.08609	10.7
85.02888	1.7
85.06532	14.8
86.06896	0.5
87.04494	1.3
91.05470	17.3
93.07025	15.1
95.04958	22.7
95.08596	26.2
96.05295	0.6
97.06506	5.7
98.98456	6.3
99.04451	3.4
99.08102	3.9
101.06010	1.1
101.95036	0.6
105.03369	5.7
105.04476	1.3
105.07018	31.6
107.08578	14.8
107.21362	0.6
109.06508	9.4
109.10118	3.6
111.04449	1.2
111.08080	3.3
113.05978	2.7
115.05388	1.0
117.07008	1.6
118.96724	0.6
119.08562	27.3
119.96061	0.6
120.08946	1.0
121.10130	31.4
123.04417	19.4
123.08063	8.5
123.11691	48.7
124.12005	0.9
125.02370	0.9
125.09615	1.1
127.01591	1.3
127.07525	4.6
129.05429	0.6
129.06995	2.8
137.05969	0.8
137.09618	2.0
137.13203	3.0
139.11194	1.0
140.04665	7.6
141.06972	11.8
141.09071	1.0
145.10127	0.7
147.11668	62.9
148.12016	1.6
153.06952	1.1
155.04729	0.7
155.07033	6.7
155.08542	4.6
165.09088	0.8
165.12733	32.2
168.09409	1.8
176.89612	0.6
183.06598	3.5
183.10216	0.9
183.11650	8.9
183.13770	5.0
183.62961	0.6
184.07610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32820	0.2
61.96536	0.2
68.98072	0.2
70.82380	0.4
82.99816	1.3
88.26295	0.2
101.00867	21.4
102.00945	1.2
103.49141	0.2
119.01906	100.0
120.01982	5.6
121.01639	0.4
124.02417	1.6
125.02570	0.3
137.02940	31.4
138.03021	1.6
142.03485	23.2
143.01849	0.4
143.03625	2.3
144.03146	0.5
149.00868	0.2
160.04543	8.2
160.34225	0.2
161.02951	9.7
161.04613	2.1
162.03049	0.5
162.04279	0.4
165.05058	0.8
166.53918	0.2
179.03996	16.6
179.05559	0.8
180.04149	0.8
184.04504	0.5
202.05547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1377
Annotation	Nordavanone
Peak:m/z	Relative Intensity
51.40710	1.3
51.42831	1.4
53.03930	5.9
55.01855	6.2
55.05503	13.3
57.03423	4.2
57.07074	4.1
59.04991	1.3
59.06096	1.4
65.03932	2.8
67.05499	15.5
69.03421	7.0
69.07057	12.6
69.66146	5.4
69.66595	5.0
71.04984	48.2
73.06544	15.3
79.05479	20.4
81.03424	1.4
81.07047	44.3
82.06532	1.4
83.04971	5.6
83.08612	2.0
85.02901	2.5
85.06535	19.4
87.08090	4.0
87.85448	1.4
89.06017	1.4
91.05465	5.9
93.07036	18.6
95.04958	37.2
95.08036	2.3
95.08597	26.3
97.06520	64.4
98.98457	5.3
99.04435	2.8
99.08083	100.0
101.06086	1.4
104.19386	1.4
105.03371	4.8
105.04507	1.8
105.07018	16.7
107.08583	13.5
109.06512	9.4
109.10152	12.8
111.04424	1.9
111.08063	7.0
116.06164	1.4
119.08563	4.7
121.10133	10.7
123.04414	35.0
123.08001	7.1
123.11688	10.4
125.02350	1.3
125.07085	1.7
125.09654	2.1
127.01603	1.5
127.07536	16.3
133.06517	2.2
137.05972	9.2
137.09586	5.0
137.13182	9.3
139.11171	3.0
140.04645	12.8
141.12779	3.2
147.11652	11.3
155.07025	11.2
165.05539	1.3
165.09102	4.7
165.12782	13.1
183.06616	6.9
183.12231	1.9
183.13791	16.4
197.98315	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1378
Annotation	Nordavanone
Peak:m/z	Relative Intensity
52.77716	2.4
53.03931	9.6
55.01860	11.5
55.05495	11.4
57.03441	3.3
57.07065	3.9
59.05003	3.0
59.06099	2.7
62.18635	2.3
65.03931	4.2
67.05493	22.7
69.03417	6.7
69.07052	10.1
69.31444	18.2
69.31874	10.3
71.04979	44.4
73.06548	17.0
79.05473	22.8
81.03397	3.9
81.07038	54.0
83.04980	7.3
85.06541	15.9
87.08118	3.3
91.05471	8.1
93.07027	22.5
95.04958	60.9
95.08592	30.1
97.06516	68.1
98.98454	9.7
99.04424	3.8
99.08077	100.0
105.03384	6.9
105.04493	5.0
105.07019	17.9
107.08584	17.6
109.06506	10.3
109.10177	12.3
111.08056	6.7
119.08575	9.5
121.10117	8.4
123.04404	53.0
123.08052	6.4
123.11690	15.3
125.02332	3.3
125.05939	2.8
127.07513	17.0
137.05949	10.2
137.09593	7.1
137.13193	12.6
140.04657	18.5
147.11713	12.7
155.07014	19.0
165.09050	4.1
165.12796	12.2
183.06502	8.9
183.10207	2.6
183.11559	2.8
183.13768	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	183.065
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
50.01598	0.4
50.87848	0.4
51.02372	0.5
53.03941	10.6
55.01863	3.2
55.05517	1.8
57.03429	0.9
57.07074	1.2
65.03928	3.6
67.05495	11.0
68.15156	0.4
69.03426	1.9
69.07049	2.7
70.59800	1.5
71.04974	1.9
73.06553	0.4
74.28467	0.3
77.03921	1.2
79.05489	1.7
81.03411	2.1
81.07049	8.1
82.06599	0.4
83.04974	1.1
83.08591	0.5
85.02901	0.7
85.06528	2.2
91.05472	1.0
93.03378	0.5
93.07027	3.0
95.04958	100.0
95.08585	5.7
96.05310	1.1
97.02863	0.5
97.06495	1.1
98.98461	3.8
99.04441	1.0
99.08074	0.8
105.03400	3.5
105.04491	5.5
105.07006	3.1
107.08590	2.5
109.06508	1.4
109.10150	3.1
111.04429	1.0
111.08067	2.3
113.37075	0.4
119.08543	2.1
121.03988	0.7
121.10134	2.4
123.04413	91.9
123.08040	1.4
123.11696	4.3
124.04813	1.2
125.02343	3.4
125.05975	0.9
125.09656	0.8
127.01535	0.8
127.07502	0.4
130.51930	0.4
133.02750	0.5
137.05978	1.6
137.09607	2.0
137.13245	0.9
139.11162	0.5
140.04666	31.8
141.05077	0.3
141.06708	0.5
147.11676	4.1
149.15555	0.3
155.07010	30.7
155.08376	1.0
156.07448	0.6
165.05453	0.5
165.09096	1.0
165.12770	3.2
165.16614	0.4
168.04163	0.5
168.09264	0.8
173.08089	0.5
183.02892	0.8
183.06525	10.1
183.07936	0.9
183.11705	1.5
183.13780	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.065
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02366	0.9
53.03700	0.6
53.03944	10.4
55.01864	3.1
55.05495	1.0
56.05023	0.4
57.07063	0.8
65.03937	4.3
67.05498	10.2
69.03395	0.9
69.07055	1.5
69.84929	0.8
69.85333	1.7
71.04984	1.2
77.03912	1.6
79.05478	1.4
81.03400	2.1
81.07037	4.3
83.04955	1.1
83.08635	0.4
85.06532	0.6
91.05466	0.9
93.03397	0.4
93.07053	1.5
94.04185	0.4
95.04957	97.1
95.08600	4.6
96.05291	1.4
97.02902	0.5
97.06508	0.6
97.07608	0.4
98.98458	1.9
99.04469	1.3
99.08097	0.8
105.03404	2.0
105.04504	4.7
105.07025	1.4
107.08604	0.9
109.06517	1.2
109.10134	2.9
111.04440	1.4
111.08083	0.6
113.09652	0.5
119.08582	1.4
121.03931	0.5
121.10141	1.2
122.03668	1.1
123.04413	100.0
123.08038	1.0
123.11694	1.7
124.04737	2.0
124.05711	0.4
124.08638	0.4
125.02348	3.6
125.05981	0.8
125.07095	0.6
125.09618	0.6
125.56976	0.4
127.01575	0.4
127.07507	0.6
137.05972	1.8
137.09622	1.3
137.13197	0.5
139.03818	0.5
140.04669	31.5
141.05070	0.5
147.11673	0.9
155.07014	31.6
156.07416	0.7
159.58296	0.4
165.05486	0.4
165.09160	0.8
165.12764	1.7
168.04109	2.7
168.09329	0.4
173.08023	0.4
183.06531	13.3
183.07925	0.7
183.10204	0.6
183.11607	0.7
183.13852	0.5
191.81744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.065
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
52.03136	0.6
53.03940	12.8
55.01864	3.3
59.06137	0.7
65.03930	3.9
67.05495	8.0
67.66766	0.6
67.94276	0.6
70.67215	1.1
70.67570	1.4
77.03909	1.9
77.77049	0.5
81.03397	1.3
81.07057	0.6
91.05428	0.8
93.07059	0.8
95.04958	100.0
95.08601	1.4
96.05285	1.0
97.02898	0.7
98.98476	0.6
105.03411	0.8
105.04507	6.1
111.04409	0.7
119.08552	0.6
123.04414	93.2
124.04744	2.0
124.07586	1.5
125.02338	4.2
137.06000	0.7
137.09625	0.7
140.04666	34.8
155.07010	33.9
155.31374	0.6
156.07292	0.8
173.08055	0.6
183.06519	10.0
183.13786	0.7
187.36847	0.6
204.18221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.065
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02377	1.0
53.03941	11.0
55.01867	3.6
56.96548	0.5
59.06116	0.4
60.04507	0.4
65.03922	4.2
67.05497	8.5
69.03419	0.8
69.07058	2.6
70.06575	0.4
70.81979	0.4
70.93269	0.8
71.04971	1.3
73.85114	0.5
77.03910	1.6
79.05487	1.5
81.03413	1.9
81.07030	1.6
83.04975	0.6
91.05504	0.9
93.03381	0.8
93.07016	1.2
95.04955	100.0
95.08593	2.3
96.05284	1.5
97.02871	0.6
97.06535	1.5
98.98458	1.7
99.04461	1.0
99.08080	1.0
105.03374	1.7
105.04493	5.3
105.07011	1.3
107.08588	0.7
109.02821	0.6
109.06509	1.2
109.07673	0.5
109.10168	1.0
111.04430	1.0
119.08562	1.6
121.04000	1.1
122.03653	0.6
123.04412	93.7
123.08038	1.1
124.04758	1.7
124.07583	0.8
124.08656	0.5
125.02348	3.4
125.05930	0.7
127.07544	0.7
133.06493	0.6
137.05963	3.8
137.09589	1.3
139.03935	0.5
140.04666	34.1
141.05128	0.4
147.08078	0.4
155.07008	29.8
156.07339	0.5
165.05333	0.5
165.09123	0.7
165.12794	0.5
166.08601	0.6
167.72653	0.5
168.04158	0.6
172.33331	0.4
183.06511	10.8
183.10036	1.1
184.09566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.065
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02368	1.0
53.03939	13.0
53.04195	0.7
54.15860	0.3
55.01859	3.8
55.05495	0.4
57.03420	0.4
59.06105	0.7
65.03925	4.3
67.05495	9.4
69.03415	1.7
69.07062	0.8
69.51022	3.1
71.01360	0.4
71.04987	1.0
77.03891	1.7
79.05476	1.0
81.03413	1.7
81.07035	2.3
83.04976	0.7
85.02871	1.0
85.06509	0.7
91.05466	1.5
93.03379	0.8
93.07030	1.6
94.04182	0.6
95.04951	100.0
95.08578	2.7
96.05288	1.5
97.02869	1.0
97.06499	1.6
98.98458	1.9
99.04429	0.9
105.03383	2.1
105.04498	5.0
105.07013	0.7
107.04906	0.9
107.08573	1.1
109.06504	0.9
109.10142	1.7
110.03656	0.5
111.04415	1.6
111.08057	0.7
113.05971	0.5
119.04910	0.5
119.08562	2.1
121.02865	0.3
121.03977	0.7
121.10163	0.9
122.03613	0.4
123.04406	92.2
123.07996	2.0
124.04708	1.9
125.02349	3.9
125.05958	0.8
127.01482	0.5
127.07515	0.7
137.02252	0.3
137.05963	1.8
137.09589	3.0
139.03899	3.5
139.07507	1.1
139.11166	0.4
140.04663	33.7
141.05014	0.7
147.07990	0.8
153.05437	1.8
153.06755	0.3
155.07002	32.2
156.07416	0.6
165.05469	1.2
165.07658	0.4
165.09093	1.8
165.12729	0.8
168.04074	0.4
183.02939	0.6
183.06505	10.6
183.10085	1.3
183.13782	0.9
196.68164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14991	0.5
60.64383	0.5
65.73628	0.5
68.50053	0.5
69.62048	3.4
78.76543	0.5
82.99836	1.1
98.20854	1.1
100.02469	1.4
101.00861	20.5
117.38097	0.5
118.03538	4.3
119.01903	100.0
121.02355	0.5
124.02412	3.5
136.04544	2.0
137.02939	34.7
142.03476	56.5
143.03609	1.7
158.73547	0.5
159.06120	1.1
160.04533	52.1
161.02959	7.0
161.04623	1.7
165.05130	1.4
178.05583	14.2
179.03978	13.2
179.05478	0.6
183.06174	2.6
201.07227	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.065
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02380	1.1
53.03941	12.1
53.17184	0.5
55.01860	3.8
55.05506	1.4
56.05030	0.6
57.03439	0.7
59.06126	2.5
59.06375	0.5
65.03934	4.6
67.05500	11.8
69.03432	2.6
69.07096	0.6
69.67269	3.6
70.06580	0.6
71.04978	1.7
72.04517	0.5
77.03925	2.0
77.70218	0.5
79.05484	2.3
81.03391	3.1
81.07047	4.9
83.04972	1.8
83.06078	0.8
84.52224	0.5
85.02885	1.2
85.06527	0.7
91.05492	3.9
93.03415	0.8
93.07023	3.3
94.04198	0.6
95.04955	99.1
95.08591	5.3
95.74039	0.4
96.05294	1.2
97.02880	1.4
97.06499	1.1
97.07632	1.0
98.97877	0.7
98.98440	3.8
99.04456	1.7
99.05549	0.7
99.08070	0.7
105.03397	3.5
105.04484	5.6
105.07023	1.5
107.08592	1.3
108.02110	0.6
109.06510	1.7
109.10162	2.3
111.04440	2.0
111.08071	0.6
113.02352	0.6
119.01910	0.6
119.08540	5.5
121.06516	0.8
121.10095	1.1
123.04409	100.0
123.07986	2.8
123.11680	1.2
124.04778	1.1
124.08656	0.9
125.02306	4.5
125.06005	1.4
125.07082	1.9
127.01532	0.8
127.03843	0.7
127.07526	0.9
133.02721	0.6
137.05980	1.6
137.07935	1.0
137.09587	4.7
137.13255	0.6
139.03903	2.3
139.07530	0.6
140.04662	34.4
140.08116	0.7
140.91011	0.5
142.03413	0.7
147.08032	2.0
153.05412	0.8
155.07011	32.3
156.07350	0.8
162.69717	0.5
165.05444	0.8
165.07561	0.8
165.09081	2.5
165.12758	1.3
183.02882	0.7
183.06535	11.1
183.08034	0.8
183.10143	1.0
183.11491	0.7
183.12325	0.4
183.13763	1.6
189.80000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1537
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
50.86439	0.3
51.85530	0.3
53.03937	0.6
55.01867	0.5
55.05502	5.2
55.05750	0.6
57.03428	0.8
57.07070	2.1
58.02954	18.9
63.13405	0.3
65.03947	0.3
67.05495	12.5
69.03418	1.1
69.07059	44.0
70.06578	1.6
70.07403	0.9
70.53704	0.4
71.04992	0.7
71.08624	0.4
72.08147	0.5
74.06073	1.2
79.05480	3.9
81.06567	0.7
81.07046	12.6
83.04960	0.9
83.08608	4.6
84.08131	5.9
85.06532	0.4
86.06062	1.0
91.05473	2.8
93.07034	6.7
95.04945	2.9
95.08591	4.2
95.96823	0.3
97.06504	2.1
98.06039	2.0
98.09682	1.5
98.21528	0.5
98.97537	0.3
98.98450	0.6
99.97898	0.4
100.07599	5.2
105.03399	0.6
105.07021	8.9
106.07335	0.3
107.08578	12.2
108.08876	0.4
109.06538	2.0
109.10143	35.3
110.10454	0.9
112.07565	1.6
112.11226	0.3
114.09151	12.0
116.98634	1.0
119.08614	0.7
121.10124	1.8
123.04409	1.2
123.08039	1.1
123.11694	5.9
124.11189	0.6
125.13190	0.4
126.09134	12.7
126.12785	1.3
128.10657	0.8
128.89864	0.3
131.08562	0.3
133.10112	25.8
134.10422	0.6
134.99660	0.3
135.11676	12.7
136.07498	0.5
136.12082	0.5
137.13200	0.7
138.12761	12.1
139.13062	0.4
140.04721	0.4
140.10692	0.9
140.14345	1.0
147.11682	3.4
151.11169	10.5
153.12727	9.9
154.15849	0.9
155.28722	0.3
164.14345	1.8
165.12778	2.4
182.08150	0.7
182.15381	100.0
183.06505	0.3
183.15733	4.3
199.01993	0.3
203.24516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.081
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
53.03931	11.4
55.01850	3.2
55.05485	5.0
56.05017	2.4
57.52564	1.2
58.02945	4.2
58.06571	1.2
61.91472	1.1
62.68772	1.3
65.03927	6.9
67.05495	24.8
69.03405	3.8
69.07050	5.8
70.02957	1.1
70.06570	1.7
71.61452	1.1
72.11682	1.0
77.03894	1.4
79.05063	1.9
79.05484	27.8
80.04965	2.1
80.05763	1.3
81.03379	2.6
81.06577	2.7
81.07046	41.8
82.06561	1.3
82.07384	1.6
82.98131	1.1
83.04973	2.1
83.08603	3.2
84.08117	3.7
86.02384	4.3
91.05462	5.7
92.04970	1.4
93.05807	5.4
93.07008	3.1
94.06556	3.0
94.07334	1.5
95.04957	61.5
95.08582	2.4
96.04450	1.8
97.05240	1.4
97.06530	8.9
98.06013	3.6
98.09667	4.7
98.97554	1.3
98.98430	1.6
99.05540	1.6
105.03364	2.1
105.04491	3.0
105.06983	1.4
106.06510	2.1
107.07294	4.4
108.04469	2.0
108.08102	57.1
109.06503	6.9
110.06037	6.3
111.04416	1.8
116.98591	1.5
118.06502	3.4
119.08524	2.2
121.05203	3.0
122.05987	4.0
122.06870	1.1
122.10502	2.0
123.03561	2.5
123.04419	43.2
123.05371	1.9
123.08008	2.5
124.05183	2.0
125.02339	2.3
125.05977	27.2
126.05499	31.8
126.06296	1.2
126.09131	15.9
136.07556	91.9
137.05936	3.8
137.07974	1.4
138.05449	2.9
140.04677	19.6
140.07027	1.1
140.08160	4.5
141.05443	1.7
153.05464	2.7
154.08601	27.1
155.07007	14.1
164.01724	1.5
164.07048	79.7
165.07411	2.0
167.06932	1.9
181.04860	2.2
182.00909	1.9
182.08092	100.0
183.06488	4.2
183.08154	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	182.081
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
53.03941	0.8
55.01875	0.4
55.05508	0.5
56.05034	0.5
58.02964	0.3
58.06593	0.6
58.67041	0.3
59.06124	0.8
60.04533	0.5
65.03941	4.5
66.04269	0.3
66.99905	0.3
67.05498	71.6
68.05031	0.5
68.05832	0.8
69.03421	1.4
69.07059	7.4
70.06591	0.7
71.06110	0.3
71.20379	0.4
71.20713	0.5
73.02900	0.3
74.27798	0.3
79.05500	0.5
80.04998	0.5
81.03416	1.2
81.04517	0.4
81.07048	1.1
83.04968	0.7
83.06104	0.9
84.04494	0.6
86.02433	2.1
86.06057	1.5
91.05492	0.8
93.07012	0.8
94.06562	0.5
95.04959	100.0
96.04494	0.4
96.05287	1.4
96.06882	0.3
96.08102	0.4
97.06538	0.5
97.07648	0.8
98.06063	0.5
98.07165	0.5
98.97548	0.4
98.98466	0.7
99.97904	0.5
105.03387	0.6
105.04488	0.5
107.08644	0.3
108.04477	0.5
108.08101	1.1
109.02854	0.3
109.06512	0.5
109.07617	1.0
110.06041	0.9
111.04434	0.6
111.05553	0.4
111.09183	0.4
112.07583	0.4
113.06020	1.7
116.98598	0.5
117.99007	0.3
119.04897	0.3
119.08644	0.4
121.05215	0.3
121.07636	0.3
121.10146	0.3
122.06067	0.7
122.07076	0.8
123.04423	7.3
123.05474	0.9
123.08041	0.3
124.07559	0.7
125.07092	0.7
127.07406	0.3
129.05458	0.7
134.99632	1.2
135.99969	0.4
136.03836	0.4
136.07565	6.6
136.08549	0.4
137.05951	1.0
137.06990	0.5
137.09610	0.5
139.08623	0.3
139.09772	0.4
140.03529	0.3
140.04681	1.6
140.07164	0.3
140.08195	1.9
141.06522	0.5
149.05841	0.4
153.05408	0.3
154.08607	10.7
155.07030	2.4
164.04262	0.4
164.07008	2.7
164.08272	1.4
164.11642	0.3
165.02437	0.4
165.05373	0.4
165.07661	0.4
165.08945	0.6
165.11302	0.3
181.86375	0.3
182.00858	0.8
182.05663	0.6
182.08078	24.5
183.06461	0.9
183.07993	0.4
195.32021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03933	7.1
54.45951	1.0
55.01864	6.4
55.05504	9.8
56.96534	2.1
57.03410	3.3
57.07053	2.7
65.03918	5.8
65.70902	1.0
67.05499	13.2
69.03422	6.6
69.07051	11.5
69.38306	6.8
69.38728	4.3
71.01329	1.3
71.04981	8.2
75.04459	1.2
77.03889	2.1
79.05479	36.6
81.03384	2.3
81.07045	29.8
83.04964	7.9
83.08588	2.9
85.02866	3.8
85.06525	4.2
91.05465	40.1
92.06229	3.8
93.03391	2.2
93.07027	63.6
93.37440	1.1
94.04155	1.5
95.04948	19.9
95.08591	22.4
97.02863	1.5
97.06517	18.0
98.21526	2.1
98.97571	22.0
99.04408	1.2
103.05454	12.1
105.03413	2.2
105.04478	2.4
105.07016	25.5
106.04158	3.8
107.04927	9.5
107.08575	45.4
108.05711	2.4
108.08880	1.0
109.06499	10.2
109.10141	16.1
110.03639	1.3
111.04426	8.8
111.08059	5.9
116.97263	1.4
116.98607	21.3
117.07010	6.4
119.04930	16.5
119.08549	9.1
120.05670	5.6
121.06485	54.9
121.10120	71.2
122.03616	3.8
122.07089	1.7
123.04388	3.6
123.08041	16.8
123.11608	1.4
125.05978	13.6
125.09583	2.6
130.07755	4.0
131.04889	3.2
134.03639	1.1
134.99629	18.7
135.04355	1.4
135.08014	7.8
135.11668	23.7
136.05194	5.6
136.07535	2.0
137.05954	59.9
137.09601	2.0
138.06836	6.2
138.07722	1.2
139.07524	10.3
139.11168	11.1
140.00140	1.7
140.08136	1.2
145.10101	46.3
146.10330	1.2
148.05136	3.2
149.05971	23.7
151.07520	17.9
153.00726	2.1
153.05440	2.9
153.09079	4.0
153.12689	4.2
158.01234	4.0
163.03883	3.6
163.07506	5.6
163.11157	65.1
163.14801	3.2
164.11552	2.3
165.05429	1.3
166.06224	7.3
166.07574	1.7
171.06526	1.9
181.04997	13.3
181.08585	63.7
181.12190	100.0
181.15723	4.0
182.08910	2.0
182.12518	2.8
189.48094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1219
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03919	0.5
53.41209	0.4
55.01855	0.6
55.05504	1.1
56.96542	1.0
57.03407	0.5
57.07059	1.4
59.04994	2.2
65.03940	0.3
66.81492	0.4
67.05496	1.8
69.03394	1.1
69.07061	2.4
69.54861	3.0
71.04955	0.4
74.89376	0.4
79.05479	4.3
81.07040	5.3
83.04958	1.6
83.08595	0.7
91.05460	3.0
93.07031	12.6
95.04949	2.2
95.08041	0.7
95.08595	9.7
97.06516	2.0
98.21527	0.7
98.96922	0.5
98.97570	10.0
103.05437	0.5
105.06995	1.7
107.04916	0.9
107.08579	19.9
109.06532	0.7
109.10139	1.8
111.04416	1.2
111.08077	1.0
116.97265	0.5
116.98605	9.3
117.06988	0.7
119.08563	2.2
121.06492	4.1
121.10124	12.2
123.08057	2.5
125.05961	3.4
134.99646	7.3
135.08017	1.1
135.11670	31.1
136.12009	0.8
137.13220	1.2
139.07506	5.1
139.11148	0.4
140.00177	1.3
145.10098	8.4
149.02400	0.5
149.05940	0.7
153.00665	1.0
153.12715	1.6
158.01242	1.8
163.03946	0.5
163.07533	0.6
163.11162	22.5
181.04922	1.0
181.08969	2.0
181.12207	100.0
182.12532	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	181.122
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03909	1.1
55.01855	1.3
55.05496	1.2
55.07387	1.0
57.07066	30.5
58.73014	0.8
59.05001	4.7
67.05508	1.5
69.07056	4.4
69.63667	7.9
79.05493	6.2
81.03403	6.4
81.07024	3.1
83.04964	55.2
90.02843	0.9
91.05463	2.5
93.07030	6.1
95.04955	16.5
97.06512	26.1
98.97549	6.0
104.57826	1.0
105.06997	3.6
107.04983	2.3
107.08577	8.7
116.97207	1.2
116.98595	3.5
117.06953	1.6
119.08531	2.6
121.06458	2.7
121.09346	1.4
121.10107	7.2
125.05969	91.9
126.06334	1.9
130.07678	1.1
130.17471	0.9
134.99619	4.0
135.11653	3.8
140.00174	1.1
145.10112	8.8
153.00745	1.0
158.01222	1.5
163.11150	100.0
164.11488	2.9
181.12192	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	181.122
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03939	1.5
55.01878	1.6
55.05503	3.3
57.07067	32.8
57.42511	0.7
59.05000	3.2
67.05496	2.2
69.03410	1.6
69.07063	4.0
69.55220	0.6
69.55523	5.6
79.05485	9.3
81.03416	6.7
81.07049	5.5
82.11604	0.7
83.04970	59.5
84.05337	0.7
85.06535	1.1
91.05496	3.1
93.07035	6.3
95.04955	19.5
95.08594	1.6
97.06518	30.1
98.06847	0.7
98.97585	2.5
105.07016	4.6
107.04945	3.8
107.08586	10.4
111.08074	0.9
116.98589	3.1
117.07009	1.9
119.08561	3.0
121.06486	2.1
121.10117	11.8
123.08051	0.9
125.05976	96.2
126.06319	1.8
130.07785	1.7
134.99617	3.6
135.07997	1.1
135.11656	5.8
145.10118	9.4
149.05898	0.7
158.01208	1.0
163.11157	100.0
164.11526	2.7
181.04866	1.2
181.12204	43.8
182.12502	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01866	2.2
55.05505	2.1
56.96553	0.9
57.03427	1.3
57.07067	33.6
59.04985	3.2
67.05494	2.7
69.03426	1.8
69.07043	4.7
70.69028	3.0
79.05486	11.1
81.03401	5.4
81.07046	5.0
83.04971	59.5
84.05306	1.0
85.06531	1.1
91.05482	2.9
92.33258	0.9
93.07028	8.4
95.04353	1.3
95.04955	22.6
95.08574	1.7
97.06517	28.3
98.97559	4.6
105.07020	3.5
107.04922	3.0
107.08569	9.5
116.97231	1.1
116.98630	4.6
117.07008	2.5
119.08566	3.0
121.02862	0.8
121.06474	2.7
121.10133	12.3
123.08088	1.4
125.05975	96.7
126.06303	1.5
130.07744	1.8
134.99640	4.7
135.08046	1.1
135.11705	5.2
137.09563	0.8
140.00166	0.9
143.08495	0.9
145.10112	9.6
158.01233	2.9
163.11159	100.0
164.11555	3.8
177.92407	0.8
181.04869	1.6
181.12209	44.4
182.12555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54611	0.7
51.78851	0.7
53.03919	1.9
54.56046	0.9
54.64833	1.0
55.01845	2.0
55.05476	1.5
56.96545	1.2
57.07069	28.6
59.04980	2.5
67.05484	1.1
69.07035	3.3
69.55727	6.0
75.87629	0.8
79.05481	8.6
81.03404	5.7
81.07030	6.7
81.14827	0.9
83.04970	54.3
85.06490	1.3
91.05504	1.8
93.07034	4.9
93.70894	0.8
95.04954	17.8
95.08598	1.0
97.05907	1.8
97.06519	30.4
98.97543	3.3
105.07008	4.0
107.04924	3.6
107.08576	8.9
109.06453	1.3
110.96712	1.2
116.97235	1.5
116.98633	4.5
117.06997	2.2
119.08547	2.9
121.06474	2.9
121.10134	11.4
123.07991	1.1
125.05975	100.0
126.06329	1.3
130.07758	1.9
134.99722	4.8
135.11656	6.1
140.00156	1.2
140.15347	0.8
145.10117	10.5
158.01192	1.8
160.62743	0.8
163.03847	0.8
163.11157	99.4
164.11490	2.4
181.04918	0.8
181.08691	1.3
181.12199	47.4
181.15718	1.5
182.12515	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0856
Annotation	80638-48-8
Peak:m/z	Relative Intensity
53.03934	1.8
53.63180	0.3
55.01862	2.1
55.05493	2.2
56.96548	1.3
57.03417	0.6
57.07059	1.3
57.79023	0.3
59.06117	0.5
65.03923	3.3
66.04699	0.5
67.05495	3.6
68.99775	0.8
69.03415	2.7
69.07050	1.7
69.25851	0.3
71.04967	0.9
71.07208	0.6
71.07542	0.4
77.03912	0.8
78.04690	1.6
79.05047	0.6
79.05482	7.6
80.06261	0.6
81.03403	2.0
81.04498	0.6
81.07045	4.5
82.04170	1.3
83.04964	3.2
83.06073	0.6
83.08591	1.1
84.04511	0.4
85.02898	1.6
85.07653	0.4
89.03896	0.9
90.04678	0.9
91.05463	13.2
92.06242	0.6
93.03381	1.5
93.07028	18.8
95.04955	7.4
95.08597	3.0
97.02885	0.8
97.06516	3.3
97.07618	0.9
97.10155	0.5
98.97569	7.4
99.04425	0.9
99.05586	0.7
103.05445	4.8
105.03368	0.8
105.04473	0.9
105.07016	3.2
106.04158	1.6
107.04948	5.0
107.08576	13.1
108.02091	0.9
108.05712	1.1
108.08096	0.4
109.06484	3.3
109.07631	0.5
109.10141	0.8
110.03635	1.3
110.07180	0.5
111.04430	1.5
111.08052	1.2
116.98601	8.3
117.06992	1.6
118.04181	0.6
119.04919	1.4
119.06055	0.3
119.08573	2.5
120.05691	1.2
121.02832	1.1
121.03956	0.3
121.06483	11.0
121.10123	16.1
122.03573	1.0
122.07107	1.2
123.04426	4.0
123.05370	0.7
123.08070	3.3
123.11667	0.6
124.05093	0.4
125.05975	5.3
125.09573	0.6
129.05458	0.4
131.04875	0.5
133.10091	0.7
134.03629	0.5
134.99641	7.6
135.04420	2.4
135.08038	3.2
135.11670	6.6
136.05180	2.0
136.07565	3.9
136.08565	0.6
137.05959	15.3
137.09602	0.5
138.03114	1.3
138.06747	4.9
139.07509	0.6
139.11177	0.4
140.00098	0.4
140.08179	1.4
142.02620	0.8
145.02821	0.4
145.10101	3.5
147.04434	0.5
148.05165	31.4
149.02324	1.2
149.05969	11.0
150.06204	0.6
151.03870	4.4
151.07585	0.8
151.11180	0.5
153.00682	1.2
153.05441	3.2
153.09085	1.3
158.01251	1.0
163.03873	2.5
163.07452	1.2
163.11156	9.5
163.14795	0.8
164.07024	3.0
164.12949	0.4
165.05467	1.5
166.06247	2.7
166.07568	0.7
167.03355	0.5
171.06496	1.3
181.05058	11.7
181.08565	100.0
182.09018	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	181.0492
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03940	0.8
55.01862	1.0
55.05505	1.8
56.05033	0.9
56.96558	4.6
57.03424	0.6
57.07069	0.4
57.92056	0.4
59.06100	1.0
60.04524	0.5
65.03933	1.5
67.05495	1.2
68.05015	1.0
69.03423	1.5
69.07061	1.2
70.06600	0.4
70.74497	1.2
71.01341	0.6
71.04962	0.6
71.95264	0.9
79.05482	4.8
81.03408	1.9
81.04538	0.8
81.07041	1.8
83.04971	1.8
83.06099	2.3
83.08614	0.9
85.02886	1.4
85.07674	0.5
86.03262	0.4
87.05593	0.5
89.03395	0.7
89.03911	9.9
91.05482	3.6
93.03391	0.5
93.07037	3.3
93.38983	0.4
95.04952	2.2
95.06074	1.3
95.08598	1.3
97.02882	1.0
97.06522	1.5
97.07646	0.7
98.07195	0.4
98.97572	28.2
99.04475	0.5
99.05563	1.0
103.05449	1.0
105.04521	0.6
105.07011	0.9
107.04948	6.7
107.06052	0.5
107.08580	3.0
109.02869	1.0
109.06501	0.9
109.07632	0.7
109.10118	0.6
110.03632	0.5
110.07137	0.4
111.04422	2.6
111.05580	0.5
111.08035	0.4
112.91830	0.4
114.06656	0.4
116.98603	36.8
117.03361	11.3
117.07027	0.6
119.04971	1.7
119.05703	0.3
119.08595	0.4
121.02853	1.1
121.06469	2.6
121.10144	2.0
122.06042	1.0
122.07138	1.4
123.04349	0.4
123.05557	0.6
123.08025	0.6
123.09209	0.3
123.11684	0.3
124.08696	0.8
125.02379	0.7
125.05972	1.9
125.07050	0.7
125.09592	0.4
127.03842	0.4
129.05450	0.4
130.32596	0.3
131.56909	0.3
134.99641	52.2
135.04398	31.2
135.08032	2.4
135.11661	1.4
136.04849	0.8
136.07535	1.5
136.08646	0.9
137.05965	3.3
138.06651	0.9
139.03889	2.1
139.07509	0.7
140.00189	1.7
140.07152	0.3
140.08173	1.4
145.02821	17.8
145.03970	0.9
145.10091	0.7
145.34402	0.4
149.05966	2.7
151.07549	0.8
153.00699	12.7
153.05470	1.1
153.09064	0.8
154.09726	0.5
158.01241	6.3
158.99690	0.4
160.05714	0.4
163.03883	100.0
163.07494	2.6
163.11165	1.8
163.14790	0.6
164.04298	2.7
164.07043	2.2
164.08214	0.8
176.02335	1.5
181.01360	0.8
181.02637	0.4
181.04922	5.8
181.06465	1.1
181.08492	3.2
181.10777	3.1
181.12236	2.8
182.08112	0.5
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	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.01845	0.6
55.05497	0.5
56.05022	0.3
56.96548	1.2
57.03423	0.4
65.03912	0.9
66.60645	0.2
67.05500	0.9
68.05018	0.4
68.99783	0.2
69.03425	1.3
69.07044	0.3
70.06577	0.2
71.04975	0.2
71.61551	0.3
72.04506	0.3
72.36588	0.2
79.05074	0.2
79.05466	1.5
80.04992	0.3
81.03391	0.7
81.04527	0.2
81.07038	0.8
82.06537	0.3
83.04962	1.1
83.06084	0.4
84.04461	0.2
84.05279	0.3
85.02889	1.9
89.03892	1.0
91.05462	2.5
92.05795	0.6
93.03391	0.4
93.07027	2.9
94.06569	0.4
94.07361	0.2
95.04944	1.2
95.06055	0.3
95.08597	0.8
96.04470	0.2
96.05305	0.6
96.08900	0.3
97.02870	0.4
97.06500	0.7
97.07625	0.5
98.07159	0.4
98.97560	3.7
103.05445	5.9
104.05784	0.2
105.03360	0.3
105.07011	1.0
106.06577	0.3
106.07352	0.7
107.04945	1.4
107.08562	1.4
108.04472	0.9
108.08897	0.3
109.02872	0.2
109.06515	1.2
109.07626	0.2
109.10139	0.3
110.06037	0.5
110.06851	1.3
110.10517	0.3
111.04414	0.7
112.07607	0.4
116.97324	0.2
116.98599	4.2
117.03376	0.9
117.07017	0.4
119.04936	0.5
119.08584	0.4
120.08083	100.0
121.02850	0.4
121.06482	7.0
121.08410	2.3
121.10119	0.9
122.07017	0.6
123.04384	0.4
123.05499	0.2
123.08023	0.6
124.07593	0.4
124.08595	0.3
125.05966	0.5
127.03896	0.8
131.04897	1.5
133.06482	0.3
133.10170	0.2
134.05965	1.0
134.06882	0.2
134.10422	1.2
134.99635	6.5
135.04387	3.1
135.08037	1.8
136.07559	0.3
136.08653	0.2
137.02287	0.3
137.05975	1.2
137.08260	0.4
137.09569	0.3
138.03133	0.2
138.05473	0.7
138.06587	0.8
138.09982	0.7
139.03883	0.7
139.09749	0.3
140.00133	0.2
145.02809	1.6
145.04967	0.5
145.10091	0.4
148.04720	1.1
149.02313	0.2
149.05957	1.0
151.03885	0.4
151.07513	0.3
152.04376	0.2
152.07004	1.2
153.00699	1.7
153.05457	0.7
153.09131	0.2
158.01245	0.9
162.05391	1.6
162.08885	0.2
162.10008	0.6
162.13565	0.7
163.03888	9.3
163.07523	2.2
163.09889	0.2
163.11089	0.8
165.01834	0.6
165.09026	0.4
171.06470	0.4
180.04086	1.0
180.06297	2.4
180.07773	0.7
180.10210	3.9
180.13670	0.3
181.04945	3.5
181.06419	0.3
181.07158	0.2
181.08551	2.1
181.10783	0.4
181.12077	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03939	2.6
55.01859	7.7
55.05260	1.8
55.05507	29.2
57.03435	12.1
57.07056	4.8
59.04975	2.8
65.03930	2.2
67.05496	60.9
69.03403	5.7
69.06718	2.6
69.07062	33.8
70.81231	3.0
70.81632	2.6
71.04980	7.8
79.05484	27.4
81.03392	5.4
81.07047	78.4
83.04975	6.7
83.08605	5.7
84.99794	1.3
85.06509	1.9
91.05469	19.7
92.87228	1.2
93.07033	29.0
95.04962	16.8
95.08594	100.0
97.06535	2.4
103.05442	1.7
103.81889	1.4
105.07014	23.6
107.08586	25.5
109.06505	19.1
109.10143	45.3
111.08080	7.1
117.06992	2.0
119.04958	8.2
119.08569	26.5
121.06523	1.9
121.10130	10.7
123.08052	27.4
123.11715	3.4
133.06491	2.6
133.10100	13.2
135.11678	7.9
136.05188	1.9
137.09589	21.3
137.13272	2.8
146.03610	1.9
147.04408	16.4
149.13234	1.7
151.11105	2.6
151.14787	10.7
161.05920	8.8
161.13220	19.2
179.03378	4.8
179.06935	6.1
179.10707	2.8
179.14281	54.8
180.14622	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71705	0.4
54.98625	0.6
56.96558	13.2
57.07058	0.5
58.99848	0.9
69.03418	0.7
71.26758	0.8
71.95255	2.4
72.69147	0.5
74.00509	0.5
77.85464	0.5
82.01421	0.5
85.02888	1.1
97.99200	0.7
98.97572	100.0
100.02466	5.7
101.00856	0.8
102.00954	1.1
108.04470	0.7
116.01936	11.1
116.98606	96.3
118.03521	3.8
119.01926	3.2
120.02003	6.9
120.03090	0.6
121.01629	3.2
127.03914	1.0
132.05057	0.8
133.03477	0.6
134.01904	1.1
134.02965	50.9
134.99641	68.5
135.03078	2.0
136.04576	0.8
137.02917	1.3
138.03018	2.8
139.02599	1.0
139.03514	4.8
140.00195	3.9
142.03462	0.6
149.06573	0.8
152.03990	7.3
153.00685	10.2
154.59071	1.2
156.97397	0.7
157.03418	3.2
157.04549	27.8
158.01228	8.5
158.02965	1.9
158.04730	1.1
162.03059	2.2
163.02559	0.6
172.04576	0.6
175.04414	1.2
175.05693	2.7
176.02313	2.0
176.04027	2.5
180.04008	3.0
180.06282	1.0
181.10814	0.7
199.05661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01864	8.5
55.05299	1.8
55.05507	20.5
57.03423	6.1
57.07065	5.6
65.03916	2.8
67.05495	88.5
69.03426	7.7
69.07055	18.0
70.96581	1.5
71.04972	5.6
79.05482	20.8
81.03400	3.6
81.07045	62.9
82.07350	2.2
83.04965	3.7
83.08580	3.5
85.06515	1.7
90.46633	1.6
91.05467	17.0
93.07033	23.8
95.04957	14.2
95.08594	100.0
97.06489	1.7
105.07017	19.5
107.08585	16.9
109.06487	12.1
109.10142	60.6
111.08087	2.4
117.06992	1.9
119.04944	10.7
119.08563	19.1
121.10136	6.9
123.04391	1.7
123.08046	12.7
133.02789	1.5
133.06477	5.2
133.10109	9.2
135.11649	8.3
136.05185	2.0
136.25722	1.6
137.09590	13.8
137.13235	3.0
147.04393	17.3
151.11147	3.8
151.14815	13.1
161.05957	8.7
161.13234	11.2
169.43015	1.8
179.03392	4.8
179.06969	12.3
179.08606	2.4
179.10593	2.5
179.14284	47.9
182.77791	1.5
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	Dictamnol
Peak:m/z	Relative Intensity
53.03938	0.3
55.01856	1.7
55.05503	3.4
56.05031	0.5
57.03418	0.7
57.07070	0.5
59.04988	0.9
61.97755	0.3
65.03936	0.4
67.05489	2.1
68.05029	0.3
69.03428	0.7
69.04544	0.3
69.07057	5.4
70.20935	0.6
70.21335	0.5
71.04990	0.3
73.02907	0.6
76.48327	0.3
79.05489	1.8
81.03393	0.4
81.07048	3.1
81.35722	0.3
82.05304	0.3
82.71532	0.3
83.04982	0.6
83.06088	0.6
83.08612	0.6
85.02892	1.1
91.05467	6.9
93.07043	3.1
95.04970	1.5
95.06082	0.8
95.08028	0.5
95.08595	4.8
97.02851	0.5
97.07631	0.3
103.05450	0.8
105.03386	0.8
105.07016	23.6
106.06624	0.3
106.07335	0.5
107.04957	0.4
107.06048	0.3
107.08566	3.1
108.04496	0.3
108.05707	0.6
109.06517	1.1
109.10111	1.4
110.07101	0.4
115.03979	0.4
115.05450	0.3
117.06997	1.3
119.04945	4.0
119.08563	55.3
120.08893	0.9
121.06484	0.5
121.10127	6.6
122.07200	0.4
123.04414	4.5
123.08044	2.3
123.11732	0.4
131.08565	3.1
133.02818	3.2
133.06496	1.5
133.10109	22.9
134.06058	0.4
134.07047	0.7
134.10461	0.6
135.04405	1.2
135.11658	1.8
136.05156	0.4
137.05899	0.6
137.08224	1.5
137.09587	0.6
137.13232	0.8
138.06636	0.8
145.10100	0.5
146.10887	1.7
146.47174	0.3
147.04385	6.9
151.03874	2.1
151.07507	0.8
151.11145	0.4
151.14757	0.3
152.08205	0.8
159.11717	2.1
161.05940	1.6
161.13229	100.0
162.13593	4.0
179.03374	16.6
179.07028	3.1
179.09267	1.5
179.10684	2.4
179.12811	0.7
179.14264	7.9
180.03772	0.6
180.06427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03948	1.0
55.01859	2.9
55.05501	5.1
56.96553	0.6
57.03426	5.8
57.07067	1.3
59.04997	0.4
65.03938	1.1
66.22759	0.4
67.05495	25.4
68.05812	0.4
69.03408	2.0
69.07059	6.1
69.28406	0.5
69.28810	4.3
71.04987	3.0
79.05482	18.2
81.07046	68.2
82.07379	1.0
83.04974	5.2
83.08592	3.4
85.06519	5.5
91.05468	22.9
93.07032	29.1
94.07367	0.6
95.04969	2.8
95.08592	60.6
96.08926	1.1
97.06519	11.8
97.10109	0.5
99.08080	6.5
103.05431	0.7
105.03397	0.7
105.07018	27.4
107.08585	15.2
107.09145	0.2
109.06498	4.6
109.10146	6.1
111.08068	3.3
113.09589	0.5
115.77911	0.4
116.38629	0.4
117.06999	1.7
118.04160	0.5
119.04939	5.7
119.08565	39.6
120.08883	0.7
121.10129	12.2
123.04419	1.2
123.08078	5.1
123.11688	1.6
131.08551	0.7
132.09241	0.5
133.06474	1.4
133.10112	27.5
134.10448	0.7
135.11670	28.7
136.05185	0.8
136.11964	0.5
137.09633	2.7
137.13239	1.8
141.42126	0.4
146.03630	0.8
147.04399	6.9
151.07475	0.8
151.11180	1.3
151.14819	1.4
153.82381	0.5
161.05983	3.1
161.13232	81.4
162.13597	2.4
164.04785	0.4
179.03458	2.1
179.07104	4.5
179.11034	2.2
179.14285	100.0
180.14651	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	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03931	2.3
54.51830	1.2
55.01849	5.2
55.05498	16.9
57.03432	5.9
57.07067	8.1
59.04976	1.6
65.03915	3.3
65.04896	1.4
67.05170	2.1
67.05497	29.8
69.03419	6.9
69.06715	1.7
69.07054	21.4
69.29821	10.6
69.30240	3.7
69.53903	1.3
71.04967	2.9
71.08610	5.1
73.77794	1.3
78.17386	1.4
79.05479	11.8
81.03380	2.2
81.07044	24.8
83.04967	34.9
83.08596	5.4
85.06512	5.0
91.05464	22.9
93.07030	21.0
95.04350	1.9
95.04952	29.0
95.06085	1.1
95.08590	85.9
96.08886	1.3
97.06477	2.9
97.10168	2.9
103.05439	3.4
105.03364	2.0
105.07014	26.2
107.04906	1.4
107.08578	26.1
108.05716	2.7
109.06508	20.1
109.10133	34.6
110.03653	1.9
110.10482	1.7
111.08038	3.6
119.04917	22.5
119.08559	24.8
121.02850	1.6
121.06470	4.5
121.10125	24.8
122.07202	1.7
123.03555	2.7
123.04414	47.5
123.07176	2.4
123.08047	47.1
123.11713	6.8
131.04918	1.5
131.08522	2.6
133.02782	1.9
133.06493	6.8
133.10115	19.2
133.77002	1.2
134.05998	1.3
135.07957	1.7
135.11665	28.5
136.05156	3.5
137.05925	4.6
137.09605	18.5
137.13213	5.6
138.09900	1.3
143.08495	2.1
146.03581	2.3
146.07216	1.4
147.03200	1.6
147.04391	28.3
149.05975	1.7
151.03894	4.1
151.06456	0.8
151.07512	24.0
151.11150	3.7
151.14792	34.7
151.16014	1.8
161.05937	6.2
161.07103	1.4
161.09583	8.5
161.13220	23.2
164.04532	1.4
179.03421	12.4
179.07028	49.7
179.09244	2.0
179.10674	18.4
179.14275	100.0
180.07539	1.8
180.14619	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	179.1064
Annotation	4-(1,1-Dimethyl-2-propenyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
53.03942	1.9
55.01870	5.0
55.05503	2.7
57.03425	1.2
59.04998	1.2
59.12226	0.4
59.77819	0.5
65.03935	1.3
67.05489	6.1
68.99768	1.1
69.03423	3.4
69.06002	0.4
69.07047	0.9
71.06007	1.5
77.03912	1.3
79.05481	6.4
81.03410	7.5
81.07047	12.6
83.04968	18.2
85.02881	1.9
91.05467	16.9
92.05811	0.6
93.07028	8.0
95.04954	26.6
95.08583	3.0
97.04002	0.6
97.06505	1.7
103.05466	1.1
105.03384	4.6
105.07014	11.4
107.01303	3.8
107.04951	1.8
107.08581	3.3
109.02879	1.9
109.06502	100.0
109.10138	6.4
110.06828	2.0
111.04473	0.7
111.08053	0.6
115.05441	1.7
117.07014	1.4
118.04133	0.7
119.04935	14.6
119.08562	5.8
120.08117	4.4
121.06486	14.7
121.10104	0.6
122.07301	1.0
123.04414	12.1
123.08046	2.4
123.11694	2.0
127.03931	0.8
128.06175	1.0
129.16820	0.5
131.04866	0.9
131.08530	1.0
133.02814	3.2
133.06470	2.3
133.10115	19.8
135.08038	6.1
136.05226	1.9
136.08727	0.7
137.05975	2.6
137.09595	20.1
141.05449	1.4
143.08588	2.5
146.03603	0.8
146.07230	3.4
147.04395	29.0
148.04762	0.7
149.06013	1.0
151.03888	22.5
151.04951	1.4
151.07535	2.6
151.11163	9.2
151.52325	0.6
160.95602	0.5
161.02335	9.3
161.05963	3.8
161.09595	18.0
161.13300	1.1
162.02682	0.6
162.06660	0.6
162.10005	0.7
165.01819	0.7
179.03372	85.4
179.10641	72.6
179.14139	1.5
180.03755	4.4
180.11086	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1064
Annotation	1-Phenylpropyl acetate
Peak:m/z	Relative Intensity
51.02365	0.7
53.03934	2.3
55.01865	10.7
55.05504	4.6
56.96547	0.8
57.03416	2.3
57.07058	0.7
59.04985	2.3
60.04507	0.7
63.69566	0.5
64.10729	0.6
65.03915	3.4
67.05495	9.4
68.05006	1.4
68.99776	1.1
69.03418	6.2
69.04522	0.9
69.07060	3.8
71.04966	0.9
71.61820	1.0
73.06532	0.8
76.02215	0.8
77.03883	0.6
79.05477	9.7
80.05019	0.9
81.03403	6.2
81.04520	1.4
81.07043	17.4
83.04968	23.2
83.06071	1.9
83.08545	0.8
85.02885	2.6
87.96481	0.5
89.06010	0.8
91.05467	28.7
92.05791	0.9
93.04485	0.8
93.07026	12.9
95.01311	0.8
95.04951	29.8
95.06058	1.8
95.08129	0.6
95.08595	7.3
97.06505	2.7
97.07626	1.1
98.98506	0.6
103.05448	5.1
104.58535	0.5
105.03380	3.9
105.04529	0.7
105.07013	29.6
106.06615	0.6
107.01401	0.7
107.04954	3.0
107.06046	0.9
107.08562	7.4
108.05672	1.4
109.02869	1.7
109.06499	100.0
109.10138	7.3
110.06937	1.9
111.04414	1.5
111.08028	0.7
115.05454	2.1
117.07008	2.4
118.04155	1.0
119.04923	26.6
119.08559	30.1
120.05582	1.1
120.08086	42.1
121.04081	0.6
121.06482	18.3
121.10101	6.3
122.07192	2.4
123.04404	16.3
123.08029	6.7
123.11674	3.1
127.03857	1.2
128.06216	0.8
131.04916	1.1
131.08519	3.4
133.02835	2.6
133.06473	7.6
133.10107	35.6
134.03618	0.6
134.05998	0.8
134.07045	0.9
134.10461	1.0
135.04402	1.4
135.05458	0.8
135.08032	7.9
135.11699	2.2
136.05193	3.5
136.08730	1.2
137.05966	5.0
137.08231	4.4
137.09590	26.4
137.13200	0.6
138.06587	1.9
139.07484	1.2
141.05429	0.9
143.08546	4.0
146.03618	2.2
146.07222	3.8
146.10889	0.8
147.04385	43.3
148.04744	1.3
149.05966	1.7
149.09587	0.7
151.03893	16.3
151.05008	1.5
151.07518	6.6
151.11151	11.4
152.07045	1.1
152.08142	1.5
161.02296	2.4
161.05966	11.9
161.08319	0.6
161.09590	22.8
161.13225	33.0
162.05495	1.2
162.10167	0.7
163.07550	0.8
164.04567	1.0
164.08315	0.8
165.01839	0.7
179.03374	40.9
179.07080	21.9
179.09351	4.2
179.10637	94.4
179.14079	6.9
180.03888	1.7
180.06580	2.1
180.09979	1.0
180.11079	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1062
Annotation	1-Hydroxy-5-phenyl-3-pentanone
Peak:m/z	Relative Intensity
51.02377	0.7
53.03931	1.6
54.27251	0.4
55.01862	11.7
55.05497	5.1
56.05042	0.9
57.03419	3.0
57.07069	2.4
59.04985	1.7
59.06115	0.5
65.03921	1.4
67.05494	12.3
68.05015	0.9
69.03422	3.5
69.04526	0.5
69.07053	7.2
70.74100	0.4
71.04974	3.6
71.08608	1.4
71.49390	0.4
71.61677	0.7
73.02891	0.4
73.06549	0.5
76.02209	1.0
77.03912	0.9
78.04673	0.8
79.05474	7.8
81.03401	12.7
81.04507	0.7
81.07035	10.3
82.06523	0.4
83.04965	12.2
83.06076	1.3
83.08584	1.1
85.02885	1.5
85.06525	3.4
89.03909	1.1
91.05466	35.7
92.05772	0.6
93.03397	0.5
93.07027	25.5
94.07351	0.7
95.04951	26.6
95.06054	2.1
95.08588	24.9
96.05275	0.6
96.08904	0.5
97.02864	0.8
97.06494	1.5
97.07607	0.4
97.10142	0.6
98.98479	0.5
99.04423	0.4
103.05463	4.6
105.03374	9.4
105.04517	1.7
105.07011	21.6
106.07369	0.6
107.04966	2.5
107.08566	12.2
108.05693	1.5
108.08864	0.4
109.02864	0.7
109.06498	16.2
109.07622	0.7
109.10135	17.3
110.07146	1.2
111.04428	0.5
111.05545	0.4
111.08037	1.2
114.80093	0.4
115.05413	2.1
117.03367	0.7
117.06976	2.6
118.04156	0.9
119.04928	20.5
119.08562	15.3
120.05545	1.3
120.08060	0.6
121.06482	100.0
121.10119	15.3
121.11016	0.9
122.06908	2.1
122.07120	2.1
122.10453	0.6
123.04404	21.8
123.07171	0.7
123.08044	12.0
123.11721	2.1
124.04732	0.5
124.08724	0.7
125.05939	0.4
125.09548	0.7
127.03870	0.4
128.06210	1.5
131.04898	1.1
131.08534	1.9
132.05614	0.5
133.02846	6.2
133.06473	7.3
133.10104	20.4
134.03610	0.7
134.06013	0.9
134.07057	1.0
134.10445	0.5
135.04402	1.6
135.05386	0.6
135.08022	2.3
135.11662	7.1
136.05168	4.3
136.08716	1.4
137.05962	9.6
137.08203	5.0
137.09587	15.2
137.13179	2.1
138.06587	1.7
138.10023	0.6
139.07472	0.6
141.05458	0.7
143.08575	2.5
146.03563	1.1
146.07217	2.1
147.04395	27.7
148.04732	1.1
149.05949	1.5
151.03885	4.3
151.06410	0.6
151.07533	7.3
151.11171	4.0
151.14789	9.6
152.07018	0.9
152.08142	1.5
161.02286	0.8
161.05968	11.5
161.08075	1.7
161.09578	29.6
161.13223	9.1
162.05391	0.5
162.06590	0.8
162.10062	1.2
164.04280	0.7
165.05443	0.9
179.03366	33.2
179.07034	22.2
179.09262	3.1
179.10626	36.9
179.14264	27.3
179.15500	0.5
180.03677	1.7
180.06425	1.1
180.07671	1.5
180.11084	0.5
180.12373	0.5
180.14630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.07
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
54.03428	0.3
55.01860	1.9
55.05468	0.5
56.04989	0.9
56.90541	0.3
57.03391	0.5
57.07051	0.3
57.28651	0.3
59.04953	0.8
59.62596	0.3
60.04493	0.3
65.03933	1.5
67.02955	0.3
67.05497	1.5
68.04978	1.3
69.03378	1.0
69.04517	0.7
69.07029	0.6
70.06542	0.6
70.30555	1.0
71.04956	0.4
72.39745	0.3
73.02875	0.5
74.31637	0.3
76.02171	1.3
79.05480	2.0
80.04957	0.3
80.05769	0.3
81.03390	0.6
81.04516	0.7
81.07054	1.8
83.04930	0.6
83.06090	1.9
85.02860	1.2
89.06015	0.3
90.04675	0.3
91.05471	30.3
92.05760	0.6
93.07010	1.0
95.04948	2.7
95.06078	2.4
95.08606	1.4
96.04414	0.3
96.05595	0.4
97.02850	0.4
97.03992	0.4
97.06470	0.5
97.07597	1.0
99.05580	0.3
103.05440	1.6
105.03340	1.0
105.06390	0.4
105.07024	6.2
107.04917	0.8
107.06044	0.8
107.08546	0.9
108.05643	0.7
109.02805	0.4
109.06501	3.5
109.07607	0.9
109.10131	0.8
110.07119	1.0
111.04443	0.4
115.05428	1.0
118.04168	1.9
118.04868	0.4
119.04931	37.3
119.08566	4.0
120.05464	0.9
121.06455	1.6
121.07583	0.4
121.10118	0.9
122.07185	0.8
123.04401	2.0
123.05447	0.6
123.08011	1.1
123.11698	0.4
131.08548	0.5
133.02818	0.8
133.04994	0.6
133.05374	0.5
133.06474	11.4
133.09198	0.5
133.10107	3.4
134.06052	0.5
134.07092	1.3
135.08017	0.7
135.11705	0.3
136.05074	0.3
136.08684	0.9
136.09784	0.3
137.05969	1.6
137.08185	3.5
137.09619	1.8
138.05595	0.3
138.06586	1.5
138.10208	0.3
139.07372	0.5
140.62552	0.3
141.06509	0.3
146.07254	0.5
147.04390	100.0
148.04750	2.4
151.03885	1.7
151.07553	1.2
151.11169	1.0
152.08206	1.6
161.02370	0.4
161.05957	5.2
161.07030	0.3
161.08267	0.6
161.09613	2.3
161.13235	3.6
162.05392	0.5
162.06606	1.0
162.10262	0.6
164.04753	0.4
168.06387	0.4
179.03403	10.3
179.07028	19.7
179.09288	3.1
179.10550	6.7
179.12860	1.3
179.14351	1.4
180.06346	0.4
180.10158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.07
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03911	1.4
55.01864	22.4
55.05490	1.2
57.03400	1.6
57.07053	0.9
59.04967	1.1
65.03918	3.2
65.04191	0.6
65.39287	0.7
66.51930	0.7
67.05488	6.1
69.03401	1.1
69.07037	1.5
69.79835	0.7
70.39150	1.6
71.04942	1.0
77.03886	0.8
78.74799	0.6
79.05471	4.8
80.06223	0.9
81.03394	0.9
81.07047	8.8
83.04950	1.4
91.05468	46.4
92.05821	1.0
93.03372	0.9
93.07018	4.4
95.04960	6.6
95.06028	0.8
95.08588	8.7
97.06509	0.7
103.05444	3.7
105.03361	1.8
105.07014	21.7
106.07351	0.7
107.04901	2.6
107.08578	4.7
108.05685	2.6
109.06496	3.3
109.10139	7.7
110.07142	1.3
111.04459	0.8
115.05421	3.2
118.04135	4.4
119.04921	66.8
119.08554	7.4
119.97706	0.6
120.05331	2.6
120.37317	0.7
121.02887	0.9
121.06480	3.0
121.10114	4.1
122.03630	1.0
123.04419	13.6
123.08031	4.4
123.11681	2.6
124.08749	0.7
130.59543	0.6
133.02812	2.6
133.06476	17.6
133.10118	8.4
134.06931	1.0
134.10522	0.7
135.04370	1.8
135.06775	0.7
135.08028	1.3
135.11652	2.4
136.05182	11.8
136.08743	0.7
137.05949	6.8
137.08188	3.6
137.09546	3.0
137.13242	1.3
138.06599	1.2
143.04904	0.8
146.03596	8.0
146.71765	0.7
147.04384	100.0
148.04721	3.2
149.02318	1.0
149.05969	1.8
151.03889	4.8
151.07516	13.2
151.11118	3.8
152.08040	0.9
161.05959	39.7
161.09567	3.6
161.13228	3.4
162.06453	1.1
163.03987	0.8
164.04698	4.7
165.69011	0.6
179.03413	12.6
179.07018	60.7
179.10524	9.6
179.14270	8.8
179.17873	0.8
180.07574	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	179.07
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
50.29040	0.5
51.02358	0.7
53.03920	2.0
55.01858	6.3
55.05490	2.0
57.03404	1.9
57.07074	0.8
59.04976	0.8
65.03916	3.8
67.05488	8.8
68.05015	0.7
68.99754	2.0
69.03418	1.3
69.07059	1.4
69.61694	4.4
71.04990	0.6
75.64722	0.6
79.05484	10.2
80.06258	0.6
81.03384	1.7
81.07045	5.4
83.04986	4.2
83.06042	0.9
85.02882	1.1
91.05465	23.2
92.05794	0.8
93.03397	1.6
93.07028	7.3
95.04956	20.4
95.05949	1.1
95.08592	7.5
96.05601	0.6
96.06825	0.5
97.02901	0.7
98.20763	1.1
103.05450	4.3
105.03368	2.5
105.04529	0.8
105.07011	24.0
107.04941	2.4
107.08567	4.8
108.05723	3.1
109.02875	2.8
109.06492	6.2
109.07607	0.9
109.10134	3.5
110.03638	4.8
111.04417	2.3
115.05438	1.5
117.07016	0.6
118.04147	1.1
119.04926	24.1
119.08549	6.5
120.05537	1.0
121.02843	3.1
121.03941	0.7
121.06483	4.5
121.10126	3.7
123.04406	100.0
123.08032	10.5
124.04748	1.5
131.04930	0.7
131.08517	1.3
133.02835	1.7
133.06465	5.6
133.10112	19.5
133.54752	0.9
134.05942	0.6
134.06961	0.7
135.08041	0.9
135.11678	2.0
136.05202	4.3
137.05962	6.8
137.08203	3.6
137.09552	4.4
137.13225	1.3
138.06558	0.8
141.05501	0.7
143.08517	0.7
147.04385	26.5
149.05908	1.0
151.03880	6.9
151.07520	49.7
151.11165	2.6
151.14795	0.7
152.08003	1.3
161.05942	6.7
161.07123	2.8
161.09573	9.3
161.13217	4.7
164.04581	0.5
179.03477	10.7
179.07011	92.7
179.10594	26.9
179.14211	7.8
180.07439	3.5
180.11034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0336
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02362	0.4
53.03936	0.7
54.03466	0.4
54.48603	0.2
55.01859	1.3
55.05494	0.9
56.05009	0.7
57.03415	1.2
57.07061	0.4
58.99565	0.3
59.04983	0.4
61.83191	0.3
65.03929	0.6
67.05493	2.8
68.05005	0.6
69.03401	1.3
69.04539	0.5
69.07043	0.7
70.21613	0.5
70.22024	1.1
75.94148	0.2
76.02201	0.9
76.42759	0.2
77.03918	0.8
79.05481	3.1
81.03403	1.4
81.04518	0.6
81.07047	2.6
83.04974	5.3
83.06084	1.1
85.02890	0.3
89.03895	1.2
91.04888	0.3
91.05470	6.6
93.04518	0.4
93.07017	2.5
95.04959	8.4
95.06072	1.0
95.08582	1.5
96.04449	0.4
97.03974	0.3
97.07644	0.7
103.05447	0.5
105.03372	9.2
105.04442	0.4
105.07015	6.0
107.01325	0.3
107.04929	0.9
107.06071	0.3
107.08588	1.4
108.05683	0.5
109.02837	0.5
109.06504	12.3
109.07614	0.5
109.10121	1.7
110.07148	0.6
117.03372	0.8
117.06982	0.5
118.04111	0.3
119.04928	6.0
119.06834	0.4
119.08559	5.0
120.05570	0.6
120.08118	0.4
121.06500	2.8
121.07310	0.3
121.07622	0.2
121.10149	2.1
122.07193	0.9
123.04412	33.1
123.08040	1.4
123.11668	0.7
124.04750	0.3
124.08716	0.3
128.06169	0.5
131.08524	0.4
133.02834	21.4
133.06439	1.4
133.10117	6.6
134.03166	0.4
134.07137	0.7
135.04416	3.7
135.08047	1.3
135.11659	0.6
136.05170	0.8
136.08658	0.4
137.05989	1.4
137.08208	2.4
137.09590	5.9
138.06631	0.6
139.07451	0.4
141.05533	0.4
141.06534	0.4
143.08585	0.6
146.07236	1.0
146.66377	0.2
147.04390	11.0
151.03879	8.6
151.07533	2.0
151.11176	2.0
152.08151	0.8
161.02341	1.0
161.05984	2.2
161.08232	0.6
161.09578	5.4
161.13211	2.6
162.10211	0.4
164.04379	0.3
164.13156	0.3
179.03371	100.0
179.09288	1.7
179.10629	20.1
179.13086	0.6
179.14156	1.8
180.03711	2.6
180.06201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1223
Annotation	mephedrone
Peak:m/z	Relative Intensity
57.07065	0.2
57.85378	0.2
67.05502	0.4
69.03405	0.3
69.58186	1.2
69.58596	0.7
79.05474	0.6
80.77282	0.2
81.07038	0.3
88.02208	0.5
91.05473	2.5
92.04972	0.5
93.05751	0.5
93.07036	0.3
95.04961	0.3
105.07010	1.1
107.08603	0.6
109.06435	0.3
110.06000	0.4
117.06957	0.8
118.04099	0.3
118.06516	4.6
118.96742	0.8
119.04929	3.2
119.07298	5.7
121.06545	0.3
123.04408	0.3
132.08064	0.8
133.10120	0.4
134.09628	44.8
135.04407	0.3
135.09920	1.3
137.06015	0.4
137.08176	0.2
138.28273	0.2
147.04391	4.9
151.03841	0.4
160.11198	0.7
161.05959	0.9
161.13232	0.3
162.09126	1.6
163.09872	0.9
177.98129	0.3
178.04962	3.0
178.12236	100.0
179.03392	1.6
179.06964	1.8
179.10963	0.4
179.12633	3.0
179.14221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1635
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.49014	1.1
53.03930	2.8
55.01864	2.3
55.05502	21.4
57.03423	4.1
57.07052	2.7
58.58397	0.9
65.03917	1.1
67.05496	14.8
69.03401	2.7
69.07057	51.2
71.04987	5.7
71.08601	0.9
71.51354	1.5
71.51684	1.5
73.89959	0.9
77.03886	1.1
78.04670	1.8
79.05481	31.3
81.07046	33.8
82.07388	1.1
83.04952	1.7
83.08607	16.5
91.05461	27.4
93.07030	65.4
95.04936	5.9
95.08595	58.0
97.06519	1.2
97.10159	2.4
98.98445	2.8
103.05451	2.9
105.04533	1.0
105.06287	1.3
105.07012	20.3
106.04146	3.7
107.04938	5.1
107.08576	86.1
108.08908	1.2
109.06499	9.8
109.10146	15.0
111.08068	1.3
115.05460	1.4
117.03344	1.6
117.07002	14.2
119.08578	10.7
121.06485	12.3
121.10123	100.0
122.07264	1.7
122.10426	1.8
123.08147	1.9
129.06972	3.1
129.24751	0.9
130.07767	2.2
131.04819	1.5
131.08543	16.4
132.08878	1.0
133.10114	4.5
134.03590	1.1
135.08014	6.2
135.11681	17.9
144.09325	3.1
149.02368	1.9
149.05963	5.5
149.09570	1.0
149.13240	14.9
156.08934	0.9
158.06285	0.9
159.08049	1.1
159.11676	12.5
162.03140	2.2
177.05429	9.4
177.09113	4.6
177.12762	22.4
177.16359	68.9
178.16695	1.6
190.14293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03936	1.1
55.05507	11.0
57.07066	1.6
57.36114	0.5
59.92696	0.5
63.57783	0.4
65.03925	0.6
67.05502	4.9
69.03415	2.4
69.07064	24.4
69.29959	0.5
69.43948	3.5
69.44356	1.1
72.40505	0.4
79.05485	11.5
81.07053	13.9
83.08611	13.7
85.51315	0.5
91.05473	6.4
93.07037	29.2
95.04974	1.2
95.08600	41.5
96.08948	0.6
97.10169	3.0
98.20757	1.2
100.02464	0.6
103.05468	0.7
105.07022	7.5
106.04169	1.6
107.04939	0.6
107.08585	72.7
108.08894	1.2
109.06502	1.7
109.10147	12.4
109.10908	0.7
116.02013	0.5
116.06311	0.5
116.57690	0.6
117.03397	0.8
117.07003	1.7
119.05030	0.5
119.08569	2.8
121.06490	1.8
121.10130	100.0
122.10488	2.2
123.08051	3.9
123.11674	0.8
131.08568	0.6
133.10114	1.9
135.08058	1.5
135.11676	17.2
136.12029	0.7
144.09317	0.7
149.05989	2.9
149.13249	6.8
159.11655	3.3
162.03030	0.7
162.06721	1.0
171.32024	0.6
177.05501	3.0
177.09128	8.7
177.12819	10.3
177.16370	74.1
178.16769	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	177.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46212	0.6
52.09002	0.6
53.03931	1.1
54.67328	0.6
55.05503	7.7
57.07062	1.5
60.11615	0.5
65.03915	0.8
67.05499	5.0
69.07056	23.3
70.71721	1.8
71.08582	0.7
79.05482	9.9
81.07046	14.7
83.08605	14.7
89.03889	1.3
91.05462	7.8
93.07030	27.0
95.04971	1.6
95.08592	37.6
96.03854	0.7
97.10146	2.7
98.98407	1.1
103.05453	1.3
105.07001	6.8
106.04142	2.0
107.08576	68.9
108.08887	2.1
109.06544	1.1
109.10143	12.9
115.05434	1.1
117.03367	1.7
117.07000	4.6
119.08569	2.9
121.06531	3.2
121.10122	100.0
122.10466	2.0
123.08006	1.1
133.10007	0.9
134.03598	3.8
135.08018	0.9
135.11667	15.9
145.02791	1.7
145.06432	4.3
146.04697	0.6
149.02292	0.8
149.05963	15.1
149.13213	6.0
150.06342	0.8
150.32565	0.6
157.39513	0.6
159.11696	1.2
162.03087	7.0
162.06816	1.1
177.05450	27.9
177.09090	11.0
177.12779	2.8
177.16359	71.7
178.05925	1.4
178.09386	0.8
178.16704	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1635
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03932	2.2
55.05503	10.8
57.07059	1.2
61.27433	1.1
66.31675	1.0
66.89341	1.0
67.05490	8.1
69.06719	1.5
69.07061	22.5
70.20677	3.5
70.21090	2.1
71.08608	1.1
79.05481	22.9
81.07046	79.3
82.07372	1.1
83.08607	8.9
89.96651	1.1
91.05471	9.8
93.07037	32.9
95.04963	1.4
95.08596	47.9
97.10155	6.4
98.98432	3.0
105.07010	5.2
107.08580	100.0
108.08919	1.5
109.06487	1.8
109.10130	14.1
116.78984	1.2
119.08572	2.4
121.06479	2.0
121.10126	79.5
122.10454	2.4
131.08549	1.1
133.10091	1.0
135.11678	12.7
149.02315	4.4
149.05980	3.3
149.13254	5.6
177.05435	4.7
177.09061	4.3
177.12717	4.4
177.16362	81.9
178.16766	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92469	0.5
53.03939	1.7
54.47081	0.5
55.01841	0.6
55.05501	9.4
55.92212	0.6
57.07061	1.4
63.70288	0.5
65.03935	1.2
65.94697	0.5
67.05491	5.2
69.07054	27.0
69.69960	3.4
78.04697	2.3
79.05480	10.2
81.07043	12.1
83.08607	14.8
89.03886	2.9
91.05463	11.8
92.05782	0.6
93.07028	29.4
95.04949	2.7
95.08591	34.5
96.08933	1.0
97.10167	2.5
98.98471	2.5
103.05446	3.9
105.04530	0.7
105.07016	8.3
106.04156	9.7
107.04939	1.5
107.08575	70.1
108.08910	1.8
109.06506	1.8
109.10134	12.2
117.03371	3.5
117.07016	1.5
119.04939	0.6
119.06064	1.1
119.08549	3.1
121.02892	0.7
121.06508	7.6
121.10123	100.0
122.10358	2.6
123.08060	1.4
123.11721	0.8
131.04930	1.9
131.08540	1.9
133.10112	1.8
134.03629	2.5
135.04391	1.7
135.08011	1.1
135.11664	19.9
135.12689	1.1
138.29938	0.5
145.02821	5.2
145.06465	0.6
146.03671	0.8
146.07260	0.6
149.02319	2.3
149.05960	11.6
149.09584	1.3
149.13232	6.3
159.08061	1.3
159.11722	2.5
162.03044	3.9
162.06721	1.1
163.03816	0.8
177.05441	22.5
177.09065	10.8
177.12842	6.6
177.16354	68.3
178.05878	1.5
178.16716	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1271
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03920	1.7
55.01854	1.7
55.05501	21.3
57.03415	2.2
57.07059	1.0
59.85274	0.5
60.13131	0.6
62.33402	0.5
65.03907	1.0
67.05492	2.8
69.03413	16.1
69.07051	7.3
69.68400	1.3
69.68812	4.1
71.04980	2.9
71.08619	1.5
77.03858	0.9
79.05482	7.0
81.03394	0.6
81.07039	8.8
83.04974	3.8
83.08593	2.1
85.06522	1.1
87.05578	1.0
89.03894	2.4
91.05462	11.6
93.07024	20.9
95.04929	2.4
95.06083	0.9
95.08588	10.8
95.68096	0.5
97.06527	1.3
97.07612	1.0
98.21379	1.1
98.98444	4.3
99.08079	1.2
103.05451	3.1
105.07016	11.0
106.04131	2.7
107.04944	3.0
107.08575	28.2
108.05685	2.6
108.08916	1.0
109.06514	4.1
109.07663	0.6
109.10146	2.1
115.05434	0.7
117.03381	5.5
117.07005	5.4
117.09107	3.8
119.04858	1.0
119.08546	9.5
120.08904	1.0
121.02855	3.2
121.06480	15.6
121.10120	22.8
122.07088	0.9
123.08046	28.4
129.06973	2.3
131.04930	1.7
131.08527	8.6
132.04427	1.9
133.06418	0.9
133.10100	6.7
134.03549	1.6
135.04372	1.0
135.08034	24.4
135.10684	1.2
135.11667	14.2
136.08475	1.0
136.12042	0.6
137.09587	1.3
138.83327	0.6
144.09311	6.1
145.02835	7.3
147.04404	0.8
147.08017	1.6
149.02321	2.5
149.05957	8.7
149.09586	3.0
149.13260	5.8
149.94556	0.9
157.10118	0.9
159.04475	0.9
159.08017	1.7
159.11662	29.9
162.03136	1.5
162.06686	0.9
162.10356	2.7
163.03859	0.7
177.05466	12.2
177.09148	13.6
177.12714	100.0
177.16318	10.7
178.04926	7.2
178.06255	0.7
178.10754	0.8
178.13155	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	177.1271
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.00285	1.0
53.03933	5.9
55.01865	4.5
55.05500	25.4
57.03422	5.3
57.07070	5.2
58.00256	0.6
59.04999	1.0
62.63411	0.7
65.03929	2.1
67.05490	20.9
69.03411	6.4
69.07056	43.5
69.44139	7.1
70.56541	0.7
71.04980	11.7
74.62589	0.7
77.03933	0.8
78.04704	1.7
78.74200	0.7
79.05478	55.3
81.03384	1.0
81.07041	49.9
82.88315	0.7
83.04956	4.3
83.08604	11.6
85.06512	1.3
89.03882	0.8
91.04610	0.8
91.04877	1.4
91.05463	43.1
93.07027	100.0
94.07362	1.7
95.04958	13.6
95.08588	26.6
97.06523	3.8
98.21550	1.4
98.98429	3.5
103.05466	4.2
105.04470	1.4
105.07014	28.7
106.04155	6.4
106.07314	1.2
107.04939	9.8
107.08575	71.4
108.08907	0.9
109.06496	13.6
109.10146	2.6
115.05448	3.6
116.06206	1.4
117.03360	1.1
117.07001	28.5
119.08559	20.3
121.06480	26.5
121.10121	31.0
122.07275	3.6
123.08053	2.3
128.06145	1.1
129.06972	6.5
130.07793	5.3
131.04919	2.0
131.08540	32.1
132.08826	1.0
133.06480	2.3
133.10118	11.4
134.03598	1.8
135.08028	14.5
135.11668	11.3
142.07747	0.9
144.09303	8.8
145.02832	2.1
147.07983	0.9
147.11589	1.0
148.08817	1.2
149.02373	2.0
149.05972	8.1
149.09602	2.7
149.13234	15.6
156.44003	0.8
157.10132	1.8
159.11667	28.9
160.11967	0.9
162.03041	2.3
162.10359	1.0
177.05440	14.9
177.09087	6.4
177.12721	54.0
177.16327	13.0
178.13007	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01855	0.5
55.05500	1.1
65.03910	0.4
67.05496	1.0
68.99760	0.3
69.03415	0.7
69.07050	3.0
71.62532	0.2
71.62926	0.2
77.03900	0.2
78.04700	0.8
78.76125	0.1
79.05482	2.5
81.07040	4.2
83.04938	0.3
83.08604	1.4
83.64203	0.2
88.02222	0.2
89.03889	1.2
91.05462	5.6
93.03385	0.2
93.07031	5.2
95.04946	1.2
95.08586	4.2
95.09220	0.2
97.06499	0.7
97.10126	0.4
98.98445	0.8
103.05456	2.9
105.03384	0.3
105.07005	1.8
106.04150	3.6
106.07848	0.3
107.04941	2.1
107.08575	6.8
109.06480	0.4
109.10139	1.5
111.08059	2.8
113.87259	0.2
115.05427	2.9
116.06238	2.4
117.03351	1.4
117.06998	10.3
118.04132	0.2
118.07254	0.2
119.04932	1.4
119.08589	0.8
120.05653	0.2
121.02866	0.3
121.06488	5.9
121.10122	9.3
123.08046	0.3
129.06973	0.3
131.04910	1.5
131.08545	1.3
132.05533	0.2
132.08067	0.2
133.06477	2.3
133.07448	0.3
133.10127	0.6
134.03590	1.2
134.07245	2.9
135.04370	0.5
135.08057	1.8
135.11653	1.9
144.05670	1.7
144.09332	0.2
145.02818	1.5
145.06461	1.9
146.03586	0.5
146.05971	0.2
146.07240	0.5
147.04385	0.7
147.07982	0.4
149.02306	0.6
149.05951	5.4
149.09589	1.1
149.13202	0.9
150.06311	0.2
159.04378	0.3
159.06813	0.2
159.07997	0.6
159.11655	1.3
160.07539	0.3
161.05952	1.0
162.03127	1.5
162.06723	10.5
163.03802	0.2
163.07050	0.4
175.07509	0.4
177.05582	8.8
177.09073	100.0
177.12529	6.7
177.16315	6.3
178.06009	0.3
178.09451	3.0
182.78796	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0907
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
51.02358	0.2
53.03938	0.9
55.01844	0.5
55.05503	1.2
57.03431	0.2
57.07049	0.2
63.88271	0.1
65.03921	0.5
67.05498	0.7
69.03400	0.3
69.07054	2.0
71.62840	0.4
77.03890	0.2
78.04695	1.8
79.05471	2.1
81.03387	0.3
81.07034	2.2
83.04922	0.2
83.06118	0.2
83.08610	1.4
89.03915	1.0
91.05463	7.6
93.07028	5.7
95.04948	1.8
95.08587	4.2
97.10142	0.4
98.98445	0.7
103.05450	3.0
105.03352	0.5
105.04480	0.3
105.07016	1.7
106.04156	11.2
106.07841	0.2
107.04993	0.7
107.08575	6.7
109.06493	0.5
109.10130	1.3
115.05432	2.8
116.06224	2.4
117.03360	1.2
117.06996	10.2
118.04163	0.2
119.04919	1.6
119.05712	0.2
119.08536	0.9
120.05630	0.2
121.02905	0.3
121.06481	8.5
121.10117	9.4
122.06905	0.2
123.08041	0.3
129.07010	0.4
131.04907	1.7
131.08498	1.1
133.06468	2.3
133.10114	0.5
134.03622	1.6
134.07254	3.0
135.04370	0.4
135.08054	1.8
135.10701	0.2
135.11682	2.3
144.05667	1.7
144.09216	0.2
145.02817	1.7
145.06442	1.9
146.03558	0.3
146.07243	0.3
147.04372	0.7
147.08043	0.3
149.02274	0.5
149.05956	8.4
149.09601	1.3
149.13228	1.2
150.06351	0.3
153.04076	0.2
159.04404	0.4
159.08028	0.7
159.11652	0.8
161.05905	1.2
162.03102	1.1
162.06735	11.0
163.03865	0.3
163.07076	0.5
163.27130	0.2
175.07565	0.3
177.05579	8.6
177.09071	100.0
177.16331	6.8
178.06000	0.3
178.09430	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03934	0.8
53.20771	0.5
53.45760	0.4
55.05502	2.0
59.97979	0.4
61.85125	0.5
63.02370	1.4
65.03928	0.5
65.64231	0.4
67.05494	0.6
69.03407	0.6
69.07056	2.5
69.43922	2.0
69.44354	2.4
69.88062	0.5
78.04699	2.0
78.70898	0.5
79.05482	1.7
81.07048	2.9
83.08609	1.4
84.82296	0.4
89.03900	36.0
90.04222	0.7
91.05463	4.9
93.07022	5.0
95.04973	1.4
95.08595	4.3
98.98424	2.3
101.72643	0.5
103.05444	2.2
105.03410	0.6
105.07003	2.0
106.04147	3.2
107.04943	0.7
107.08572	8.3
109.10138	1.7
117.03357	66.2
117.06969	0.9
118.03703	1.5
119.04907	0.7
119.08533	1.3
121.02865	0.6
121.06488	3.3
121.10114	11.3
124.05190	1.8
128.89977	0.5
131.04906	0.7
131.08543	1.5
134.03613	10.1
135.04405	8.3
135.08002	0.5
135.11681	3.2
137.09616	1.0
145.02817	100.0
146.03070	2.4
149.02318	2.2
149.05951	28.0
149.09584	1.2
149.13214	1.1
150.06270	0.7
158.05969	3.9
159.11667	1.0
160.86189	0.5
161.09576	1.1
162.03058	4.4
163.03864	5.6
177.05434	54.2
177.08868	3.9
177.12726	7.2
177.16336	8.0
178.05748	1.7
186.05484	13.7
187.05826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24393	0.6
53.03926	0.7
53.38431	0.5
53.41290	0.5
55.05294	0.5
55.05499	5.9
57.07033	0.8
58.31330	0.5
67.05473	2.0
69.07056	14.1
69.18539	0.5
70.77505	1.7
71.04975	0.6
79.05460	1.8
81.07043	9.7
83.08607	2.9
91.05471	8.4
92.29199	0.5
93.07039	4.6
95.08595	7.9
97.12350	0.6
98.91032	0.5
98.98449	6.0
103.05438	0.7
105.07013	19.9
107.08591	6.3
115.05432	1.1
117.06985	2.2
118.07810	0.7
119.08562	65.2
120.08849	1.0
121.10117	2.1
124.53799	0.6
129.07027	0.6
131.08575	3.4
133.10109	61.5
134.10434	1.9
145.10110	4.9
146.10812	1.0
147.04420	0.9
147.08034	0.6
147.11673	10.4
160.05138	1.2
160.08678	0.5
160.12395	2.6
160.14659	0.5
173.13220	2.1
175.07460	2.9
175.11240	2.5
175.14796	100.0
176.15094	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.80515	0.5
55.05500	5.1
55.15341	0.4
57.07050	1.0
67.05498	2.7
69.07057	15.2
71.10631	1.0
78.17924	0.4
79.05482	1.9
81.07042	8.6
83.08612	2.9
91.05462	6.8
93.07027	4.0
95.08586	7.2
98.98436	1.1
103.05475	0.5
105.07014	20.2
107.08573	5.3
117.07000	3.0
119.08560	68.0
120.08892	1.1
121.10131	1.8
131.08565	3.8
133.10109	66.6
134.10387	2.4
135.11668	0.6
135.67090	0.4
145.10089	5.4
146.10913	0.6
147.11661	12.5
159.11688	0.9
160.08797	0.8
160.12422	3.7
173.13266	2.5
175.14792	100.0
176.15154	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	176.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
56.05008	1.0
56.66277	0.5
56.96553	3.5
57.93542	2.0
58.01443	0.6
59.06116	3.2
60.04516	0.9
70.06582	0.8
70.47289	0.4
72.04517	0.7
75.05595	1.0
75.94602	1.2
81.67789	0.6
83.06044	0.7
85.07638	1.5
86.08426	0.8
87.05566	0.8
93.95591	0.9
98.96171	1.1
98.96916	1.0
98.97567	19.5
98.98448	2.2
99.05575	0.9
100.02462	1.7
100.03912	0.6
101.00852	2.8
102.02184	0.5
104.02541	0.6
105.07043	0.6
116.01928	12.1
116.97233	19.2
116.98589	23.7
116.99440	1.2
117.02068	0.7
118.03493	11.5
119.01906	27.3
119.02847	0.9
120.02001	2.2
120.03169	0.6
120.08080	1.0
120.50596	0.6
121.01649	3.2
122.07192	0.6
129.06578	0.6
130.02609	0.6
130.03511	1.5
130.52953	0.5
131.01872	2.7
131.99535	4.5
132.05113	0.8
133.03456	0.9
134.02969	100.0
134.95818	0.9
134.99638	31.4
135.03261	3.0
136.04529	5.4
137.01950	1.0
137.02956	14.9
137.04001	1.3
138.03052	1.1
138.04308	0.6
138.49828	1.2
139.02672	1.5
139.98740	0.7
140.00153	1.5
142.03493	1.7
148.04561	1.0
148.96114	2.4
149.02237	0.6
150.00677	1.6
150.06062	0.7
152.04012	20.1
152.05890	1.9
152.96890	8.5
153.00661	7.4
153.05194	0.7
154.01183	0.6
154.03496	1.7
157.04543	4.4
157.97478	0.7
158.01259	3.4
158.02972	12.2
158.04756	1.9
159.03114	0.7
159.07762	0.5
160.04558	1.5
170.97978	1.3
171.01379	1.1
171.06131	1.3
172.04524	0.7
175.98512	10.9
176.02408	1.7
176.04044	38.9
176.05794	7.1
176.07240	1.2
176.10458	1.1
176.14285	1.3
177.00888	1.9
177.04068	1.2
177.05478	0.8
177.11378	0.5
178.05582	0.6
189.02420	0.6
193.99593	0.6
194.03387	0.9
194.05103	11.3
194.06929	1.7
199.00128	0.9
199.05617	3.6
199.07193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.1
57.03406	0.6
58.27881	0.6
61.67825	0.6
67.05489	1.7
69.03439	0.7
69.07056	14.6
70.09367	1.5
70.09782	1.6
79.05464	1.7
81.07043	7.5
83.08629	2.9
91.05468	6.9
93.07013	2.2
95.08598	7.9
97.39356	0.6
98.98437	3.9
105.07018	16.9
107.08598	4.1
117.07011	1.5
119.08566	59.7
120.08858	1.2
121.10117	2.5
129.49423	0.6
131.08556	2.7
133.10110	60.6
134.10464	1.0
145.10115	4.9
146.10852	1.3
147.11664	8.8
159.11711	0.6
160.12433	3.1
173.13271	2.0
175.07495	2.4
175.11287	2.2
175.14803	100.0
176.15155	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	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
51.60898	0.5
53.03938	1.0
55.05505	7.0
57.07060	1.4
65.03920	0.7
67.05503	2.8
69.07058	14.7
71.20536	1.0
79.05471	3.7
81.06569	0.8
81.07042	14.1
83.08607	2.8
85.89933	0.5
91.05463	11.3
93.07034	6.2
95.04953	0.7
95.08587	12.5
98.98457	1.4
104.06190	0.6
105.07016	30.1
106.07340	0.7
107.08585	8.3
117.06998	3.0
118.07803	0.7
119.08562	79.8
120.08894	1.7
121.10120	2.6
131.08546	4.5
132.09323	1.1
133.10110	100.0
134.10417	2.7
135.11653	0.8
145.10074	5.3
146.10817	1.5
147.04344	0.9
147.08073	0.8
147.11661	13.1
159.11676	0.7
160.12463	3.3
173.13228	1.6
175.07512	2.0
175.14796	97.7
176.15170	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	174.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05500	8.0
55.93501	1.5
56.05026	5.2
56.05851	1.7
56.96557	1.2
57.03425	9.4
57.04544	1.6
57.07057	1.9
58.02927	1.7
58.05307	1.2
58.06590	7.2
59.04977	3.2
59.06112	7.9
59.95940	1.1
60.04518	13.9
60.05337	1.1
67.05489	5.9
68.05003	4.7
69.03414	3.6
69.07059	5.9
70.06582	14.7
70.80203	3.3
70.95856	23.1
71.04977	5.0
71.06077	1.8
72.04503	7.0
72.08138	2.3
72.93774	19.0
73.02889	3.9
74.06067	2.3
75.05579	3.3
76.03967	1.0
79.05482	2.4
80.04994	3.6
81.07038	3.2
82.06573	5.7
83.04960	5.9
83.06075	1.9
84.04502	7.0
84.05304	2.2
84.08121	3.3
85.02875	3.7
85.04001	3.0
85.06512	2.9
85.07632	1.9
86.06055	30.4
86.09667	1.7
87.04447	2.0
87.05577	9.4
88.03995	1.5
88.07616	6.0
88.96892	7.1
89.05997	1.5
90.94820	7.6
91.05465	4.3
92.68609	1.1
93.07014	3.7
94.06526	1.4
95.04937	2.8
95.06062	1.1
95.08580	1.2
96.04473	2.6
96.08100	3.2
97.02859	7.9
97.06528	8.3
98.03635	1.2
98.06042	35.2
98.07128	1.4
98.98450	28.3
99.04420	1.4
99.05560	3.8
100.03969	2.5
100.07584	3.3
101.05988	1.7
101.07099	1.4
102.05502	1.1
102.06319	2.4
103.05014	1.5
105.07011	3.7
106.97894	1.1
108.08029	1.3
108.95849	2.5
109.07620	1.4
110.06044	1.8
110.09663	7.8
111.04419	4.1
111.05564	1.2
111.08041	4.6
111.98463	24.8
112.04761	2.2
112.07574	4.1
113.05972	4.2
113.96375	3.6
114.05504	6.0
114.06620	3.5
114.09163	4.5
114.94737	1.3
115.03863	1.3
115.05045	2.3
115.08704	1.3
116.07071	4.8
118.04951	1.1
118.06544	3.5
119.08537	4.2
125.02292	1.3
126.06655	5.6
127.04926	1.0
128.04935	0.9
128.07043	3.6
128.10698	4.3
129.05452	1.1
129.06667	1.0
129.99477	18.8
130.06522	1.3
131.08560	1.5
131.97394	6.0
132.04431	1.0
132.08057	2.8
132.08884	3.0
132.95818	37.0
133.06102	1.9
133.10092	3.7
138.09058	5.4
139.03876	1.2
139.07536	3.9
139.08533	1.3
146.05971	5.2
146.08109	5.9
146.10490	2.8
147.06496	1.2
147.07927	1.3
147.11618	1.5
149.98479	3.9
150.96866	100.0
151.97151	1.8
153.01074	1.8
155.97386	27.4
156.06512	4.0
156.07584	2.4
156.10172	15.2
156.11302	1.6
156.13715	1.1
157.08568	1.7
157.09711	1.5
159.11310	2.4
168.97987	4.9
173.98466	39.9
174.05386	6.5
174.07622	8.8
174.08775	3.8
174.11224	7.9
174.12817	11.1
175.06035	1.9
175.07503	3.7
175.09770	1.5
175.11159	4.1
175.14778	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	173.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.4
55.01850	1.1
55.05504	12.7
55.37773	1.0
57.03422	1.7
57.07049	3.5
57.95565	1.0
59.04980	4.5
62.06049	1.5
64.96629	1.1
67.05472	4.5
68.04996	1.2
69.03394	1.4
69.07056	12.3
69.89594	1.3
69.89914	7.1
71.04965	2.0
71.08619	100.0
72.08945	2.2
79.05468	2.7
81.07041	8.7
83.04967	8.7
84.04464	3.4
85.06505	2.6
87.04447	1.2
91.05467	8.3
93.07040	1.4
95.08577	6.9
97.02865	1.3
97.06545	1.2
99.08078	72.0
101.05991	9.6
103.03265	2.2
103.05459	1.7
105.07014	10.4
109.10120	2.2
111.04414	16.3
111.11677	3.0
113.05872	1.4
115.05453	12.1
117.07011	15.4
119.08581	7.0
120.56354	1.2
127.07490	1.8
128.06163	1.8
128.63484	1.2
129.05490	7.0
129.06996	5.7
129.12733	4.8
130.04124	1.2
130.07753	5.0
131.08546	45.4
132.06506	1.4
133.10081	1.2
137.05901	1.8
143.08542	11.4
144.09290	4.3
145.06474	11.5
145.10100	26.6
146.05983	1.6
155.05963	1.8
155.06998	11.2
155.08511	4.1
155.14319	1.7
156.17427	1.6
158.07256	6.9
158.10878	15.1
173.06020	8.4
173.08112	23.6
173.09598	26.1
173.13226	62.6
174.05363	1.6
174.07658	2.4
174.12682	1.8
174.13589	1.0
174.18539	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	173.1322
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05504	4.0
56.96568	0.4
57.07076	0.4
59.04980	0.9
67.05491	0.8
69.03420	0.5
69.07014	0.3
72.93778	0.6
73.64275	0.3
76.02223	0.4
76.75612	0.3
79.05496	1.1
81.03431	0.4
81.07037	1.8
83.04977	4.1
85.02884	0.4
86.06881	0.4
87.04497	0.5
89.02379	0.4
90.36618	0.3
90.90369	0.7
91.05472	6.9
93.07040	0.4
95.05038	0.3
95.08595	0.4
97.02876	0.4
98.82134	0.3
99.04456	0.6
101.06012	2.4
103.03284	1.2
105.07029	6.3
109.06509	0.3
109.10163	0.6
111.04424	4.3
113.02351	0.3
113.06007	0.6
114.05554	0.4
115.05465	1.2
116.06216	1.7
117.07017	2.9
119.08566	3.2
127.07551	0.4
128.06175	0.6
128.07065	0.4
129.05501	2.6
129.06992	5.1
130.07758	1.2
131.08553	100.0
132.08879	2.7
133.10081	0.6
133.15448	0.3
143.08539	4.8
144.09354	3.1
145.06467	1.1
145.10104	13.2
146.10451	0.3
149.94009	0.7
155.07034	4.2
155.08247	0.5
156.09233	0.4
158.07335	0.6
158.09668	0.6
158.10890	6.8
171.11700	1.1
173.05876	0.9
173.08218	7.7
173.09775	1.4
173.13243	68.5
174.05492	0.5
174.07611	0.6
174.13715	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1322
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03936	0.7
55.05504	3.6
57.07062	2.2
59.04981	0.6
67.05489	4.4
69.03419	1.2
69.07053	1.9
69.63317	3.7
71.04974	1.4
72.93781	0.6
73.06566	0.4
79.05476	2.2
81.07038	5.9
83.04974	3.1
83.08618	0.7
84.04498	1.2
84.68378	0.4
85.06551	1.1
91.05470	8.9
93.07021	2.3
95.08588	4.5
97.02885	1.8
99.08073	0.8
101.06001	2.7
105.07012	9.9
105.07676	0.9
109.10140	1.8
111.04427	4.3
113.02373	0.6
113.05993	1.5
115.03934	0.7
115.05431	2.8
116.06225	1.5
117.06991	7.6
119.08556	9.4
124.40778	0.5
127.03696	0.5
127.05436	0.6
127.07497	1.0
128.06190	1.1
129.05458	2.2
129.06981	6.6
130.07722	2.3
131.08542	69.1
132.08894	2.2
133.10094	2.1
137.09612	0.7
143.08530	14.6
144.09309	7.1
145.06464	1.9
145.10097	27.2
146.10475	1.0
155.07010	3.1
155.08205	0.5
155.10637	0.5
156.09294	0.8
157.10056	0.7
158.10883	23.9
159.11186	0.6
171.11642	2.4
173.05936	1.2
173.08186	6.3
173.09583	2.3
173.13228	100.0
174.07605	1.8
174.13602	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	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05504	3.9
57.03411	0.4
57.07061	0.5
59.04991	0.5
60.04520	0.4
62.06311	0.3
62.38497	0.3
67.05479	1.3
69.03407	0.7
69.07044	0.5
69.99507	0.6
69.99918	1.3
70.06576	0.3
71.04984	0.5
72.93777	0.5
76.02224	0.5
79.05492	0.8
81.07034	1.2
83.04965	4.4
84.04472	0.7
85.06538	0.7
91.05465	3.2
93.07032	0.3
95.08584	1.1
97.02903	0.7
98.20740	0.6
101.06009	3.0
103.03316	0.6
103.05450	0.5
105.07021	2.9
111.04424	5.0
113.06003	0.7
114.05554	0.6
115.05447	3.3
116.06232	0.7
117.07001	4.8
119.07779	0.5
119.08568	6.5
127.07532	0.6
128.06204	0.8
129.05501	2.3
129.06999	3.4
130.04152	0.4
130.07759	1.3
131.08551	19.0
132.08867	0.5
133.10104	4.1
141.06966	0.4
142.07751	1.1
143.08545	19.7
144.09329	3.5
145.06445	2.2
145.10112	12.8
155.06073	0.4
155.07062	4.0
156.09259	0.8
157.10104	1.1
158.07240	0.9
158.10890	40.4
159.11241	1.6
167.97282	0.4
171.11685	1.8
173.06009	1.6
173.08147	8.5
173.09666	3.0
173.13239	100.0
174.07597	1.3
174.13658	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	171.1166
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
55.01884	1.0
55.05508	5.6
57.03451	1.8
65.03957	1.8
67.05484	2.7
69.03432	0.9
69.07057	3.2
70.74907	1.2
71.04999	2.0
72.04501	6.7
79.05488	3.1
81.03426	2.3
81.07048	1.3
83.04980	1.9
83.08612	3.2
84.04544	0.5
89.07148	5.2
91.05464	3.6
93.07039	3.2
95.04953	5.1
95.08602	1.6
97.02922	0.7
97.06523	2.4
99.08099	1.5
103.05445	0.9
105.06999	3.6
107.01298	2.6
107.08582	3.3
109.02883	3.6
109.06506	1.3
109.10155	2.9
111.04420	6.3
111.08075	1.6
111.09198	0.7
112.05037	0.6
115.05438	3.3
115.06149	0.5
117.07012	1.6
125.02363	2.0
125.06018	0.5
125.09627	1.4
127.03918	3.3
128.06200	17.9
128.07115	1.1
129.06981	15.9
130.07878	1.0
131.08528	1.0
135.11679	1.3
139.03889	5.1
141.06966	17.0
142.07765	11.3
143.08539	52.7
144.08888	2.0
145.06462	1.4
153.01787	3.0
153.05548	0.6
153.07271	1.9
153.09077	1.6
153.12653	2.6
155.06007	1.4
155.07439	0.6
155.08542	4.7
156.09322	100.0
157.09656	3.6
169.10130	0.6
171.02818	2.4
171.04349	2.5
171.07857	2.8
171.11658	99.7
172.07487	0.7
172.12126	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	171.0651
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
51.02352	0.3
53.03945	0.4
53.80139	0.4
55.01866	1.9
55.05506	2.5
57.46083	0.3
62.82317	0.3
65.03934	15.7
65.21577	0.3
66.04279	0.3
67.05490	1.2
68.99780	5.2
69.03425	1.5
69.07048	0.5
70.02242	0.9
70.02637	0.6
71.01373	0.4
71.04983	0.7
72.04499	0.9
79.01836	0.5
81.03397	3.5
81.07030	0.6
83.04967	8.0
83.08604	0.7
84.37645	0.3
89.07137	0.9
93.03390	4.9
95.04976	0.4
96.02091	1.2
97.02876	1.0
97.06512	0.3
107.01287	2.1
107.08587	0.4
109.02856	3.0
110.12138	0.3
111.04429	66.9
112.04789	1.2
121.02898	0.9
121.03967	4.6
125.02350	1.8
125.05949	0.3
127.03900	3.6
139.03885	100.0
140.04195	1.6
147.96912	1.6
148.97562	0.5
153.01830	2.6
153.07405	0.7
157.01222	0.3
165.97939	0.8
170.98560	0.3
171.02824	1.4
171.06526	9.9
171.14896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1165
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
52.73489	0.5
55.01874	1.1
55.05502	4.4
55.61502	0.5
57.03432	3.5
57.07085	0.7
65.03968	0.6
67.05506	4.2
69.03447	1.8
69.07056	5.3
71.04984	6.6
71.61707	0.9
72.04496	5.6
73.06561	1.0
79.05473	3.9
81.03422	3.8
81.07044	5.8
83.04986	2.0
83.08626	2.3
85.06561	1.9
89.06643	0.9
89.07126	4.2
91.05469	2.8
93.07033	4.4
95.04980	1.6
95.08591	3.4
97.02879	0.8
97.06527	2.6
99.04414	1.0
99.08107	0.6
103.05460	0.8
105.07020	2.6
107.01301	4.0
107.04878	0.7
107.08569	6.4
108.08910	0.5
109.02861	7.6
109.06525	0.7
109.10126	3.4
111.04424	3.1
111.08075	2.3
111.09206	0.7
113.09677	0.6
113.96425	0.6
115.05396	2.6
117.07001	1.6
123.11686	1.2
125.02314	3.1
125.05916	0.6
125.09629	2.3
127.03905	8.5
127.11157	1.0
128.02296	0.8
128.06201	13.5
129.06996	13.7
130.07748	1.4
131.08553	0.8
131.57907	0.6
135.08035	0.9
135.11694	3.0
139.03856	2.7
141.06970	13.0
141.09091	1.2
141.12711	1.6
142.07767	9.5
143.08539	47.5
144.08865	1.8
153.01804	6.6
153.05525	0.6
153.07259	1.7
153.09067	3.3
153.12671	4.0
155.05981	0.7
155.08524	5.6
156.09323	89.9
157.09669	3.3
169.10094	1.3
171.02878	5.0
171.11655	100.0
172.12065	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	171.065
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
51.71087	0.3
55.01863	2.2
55.05503	3.8
57.03423	0.4
63.44103	0.4
65.03932	18.5
67.05495	1.9
68.99784	7.2
69.03414	2.1
69.07053	1.5
69.98315	1.3
69.98728	0.7
71.04984	0.6
72.04501	1.9
79.01851	0.9
79.05505	0.4
81.03401	4.0
81.07039	0.4
83.01332	0.7
83.04970	10.2
83.05450	0.7
83.08601	1.6
89.07131	2.0
93.03397	5.9
93.07002	0.7
95.04982	0.5
95.08583	0.8
96.02088	1.0
97.02880	1.2
97.06515	0.9
107.01276	0.9
107.08588	1.1
109.02855	1.4
109.06499	0.4
109.10106	0.5
111.04427	74.4
112.04752	1.7
121.03049	0.7
121.03970	5.0
125.02374	0.5
125.09640	0.5
127.03894	1.3
128.06183	1.0
129.06996	0.8
134.05984	0.4
139.03883	100.0
140.04247	1.3
142.07793	0.5
143.08498	1.8
153.01814	0.8
153.07352	0.5
153.09073	0.6
156.09352	2.7
156.17451	0.4
171.02933	0.6
171.06528	9.3
171.07997	1.2
171.10316	0.5
171.11642	3.3
171.14926	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.065
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
51.02374	0.6
53.03934	1.2
55.01860	3.8
55.05505	5.9
56.96568	3.7
57.03418	1.1
57.07053	0.7
58.09093	0.4
58.97518	0.3
59.06104	0.6
60.04523	0.8
61.97792	0.3
63.10722	0.4
63.95581	0.3
65.03933	17.4
67.05500	3.5
68.99781	6.7
69.03421	3.6
69.07066	3.6
69.69237	0.3
69.69566	2.7
70.06593	1.1
70.94234	0.6
71.01317	0.7
71.04967	1.9
71.06110	0.5
72.04511	6.8
72.08127	0.8
72.93777	2.1
73.02911	1.9
79.01840	1.5
79.05494	3.0
81.03409	12.2
81.04502	0.4
81.07037	1.8
82.06564	0.7
83.01321	0.5
83.04972	10.6
83.06087	1.1
83.08601	3.2
84.04498	0.8
84.08125	0.5
84.95982	0.5
85.02883	1.8
85.04021	0.5
85.06531	0.5
85.07661	0.8
86.09683	0.7
87.04442	0.6
88.95293	0.8
89.00776	0.7
89.07140	5.3
90.01540	0.4
90.94824	1.3
91.05474	0.9
93.03385	4.0
93.07061	2.5
95.04967	1.6
95.06036	0.5
95.08601	1.2
96.01544	0.6
96.02108	1.2
96.04457	0.4
96.05567	0.5
97.02872	2.8
97.03966	0.4
97.06519	1.9
97.07659	0.6
97.10168	1.0
97.99207	0.5
98.01285	0.7
98.06040	0.7
98.20800	0.4
98.97583	1.9
99.04424	0.5
99.05569	0.5
100.07607	0.5
101.00728	0.9
101.07150	0.4
101.34943	0.4
101.52370	0.5
107.01305	9.4
107.02029	0.5
107.04956	1.3
107.08595	2.3
108.95834	0.5
109.02866	15.3
109.06522	2.1
109.07661	0.9
109.10173	0.7
109.98934	0.4
110.01276	1.7
110.03153	0.5
110.06051	0.6
110.07137	0.4
111.00770	1.1
111.04428	77.9
111.08051	1.4
111.09183	1.9
112.04797	1.6
112.07606	0.8
113.05981	0.5
113.07088	0.6
113.10773	0.4
113.96388	1.2
114.06639	0.8
115.03906	0.4
116.98639	1.2
119.01790	2.1
121.02868	1.0
121.03976	5.1
121.52078	0.7
124.07568	0.6
124.52734	0.4
125.02342	7.5
125.05972	2.1
125.07102	1.1
125.07961	0.7
125.09630	2.0
126.05491	1.2
126.09148	0.4
126.10239	0.4
127.03906	16.9
128.02328	3.3
128.04257	1.5
128.98639	0.5
130.52568	1.5
130.96327	0.4
131.97478	0.8
134.99667	1.6
135.00702	0.7
135.05450	0.6
135.06357	5.2
135.07973	0.9
135.11699	0.8
136.75638	0.3
137.05954	0.5
139.00334	3.3
139.03885	100.0
139.53108	1.2
140.04198	2.2
143.03372	0.7
143.05946	0.6
143.08513	1.4
146.99670	1.0
147.54657	0.5
147.96889	5.2
148.53654	0.7
148.97429	1.6
153.01808	12.7
153.05464	0.8
153.07420	9.1
153.09073	1.4
153.12625	0.5
153.55157	0.4
153.98021	0.4
154.08597	1.3
155.03348	0.5
155.07001	0.4
155.97382	0.5
156.03723	2.3
156.09349	1.0
157.01309	6.2
158.01268	0.6
165.97963	4.1
170.98573	0.9
171.02887	8.8
171.06445	11.0
171.08435	2.2
171.10052	1.1
171.11536	1.7
171.13606	0.7
171.14909	6.8
172.09674	0.8
172.10963	0.6
173.98410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0286
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02377	1.0
53.03926	4.3
55.01872	5.0
55.05502	7.6
56.05013	1.3
56.05923	0.9
56.63771	0.9
57.03418	2.4
57.04538	1.6
58.71053	0.9
59.06115	1.6
65.03919	1.7
67.05488	6.6
68.05023	1.0
68.99783	1.4
69.03416	7.3
69.07050	7.1
70.06573	2.8
71.04983	2.2
71.06113	1.3
71.61628	1.4
72.04137	1.5
72.04501	17.1
72.08148	1.6
72.93770	3.8
73.02919	1.1
73.06518	1.4
75.05588	1.4
79.01834	5.6
79.05477	5.1
81.03406	59.7
81.07050	6.1
83.01332	1.1
83.04989	6.6
83.06075	2.2
83.08605	6.7
84.04479	1.9
84.08122	3.1
85.06526	1.7
85.07652	2.1
86.06062	1.1
87.04471	1.6
89.07142	11.5
91.05442	1.6
93.07027	4.1
95.04945	2.2
95.08576	4.0
95.80371	1.1
96.02096	2.5
96.05591	0.9
97.02869	7.3
97.06502	4.6
98.07159	1.7
99.04448	1.9
99.08089	1.4
100.08707	1.2
105.07023	1.5
106.32475	0.9
107.01299	69.4
107.04937	1.7
107.08580	12.8
108.01654	1.3
109.02864	99.3
109.06512	2.6
109.07602	1.1
109.10148	4.5
109.90401	1.0
110.03228	1.6
111.04428	11.0
111.05157	1.1
111.05543	1.9
111.08073	3.9
111.09195	2.9
112.05119	1.4
112.07585	7.2
113.07134	1.2
115.03852	1.0
115.05358	1.1
123.08111	1.0
125.02339	56.7
125.05967	2.1
125.09621	5.8
126.02581	1.0
126.05498	2.3
127.03899	100.0
128.04282	1.4
128.06189	2.8
130.08607	1.1
131.97403	1.5
135.00757	6.5
135.06349	1.3
135.08012	2.5
135.11673	2.0
137.03409	1.9
139.03876	5.9
140.62468	1.0
141.06912	1.1
142.07759	1.3
143.03426	1.4
143.08577	4.7
143.87013	1.0
147.96893	3.0
153.01807	86.3
153.05394	1.8
153.07521	4.9
153.09024	6.1
154.02081	2.9
154.08597	1.7
154.09752	1.4
156.09314	3.5
157.01350	1.1
162.09567	1.1
165.97981	1.7
171.02873	44.9
171.06448	1.9
171.10117	3.3
171.11623	6.0
171.14896	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	170.1537
Annotation	Nitramine
Peak:m/z	Relative Intensity
54.68022	0.6
55.01869	3.2
55.05505	16.6
55.93520	1.0
57.03423	3.3
57.07065	21.0
58.06590	2.8
58.52413	1.0
59.04992	1.4
59.16060	0.7
65.03955	1.0
67.05497	7.6
69.03397	1.6
69.07059	100.0
70.06579	2.0
70.07388	1.6
71.04985	3.2
71.08623	12.7
71.62448	1.3
72.04513	6.5
72.08150	12.8
79.05487	8.0
81.07043	23.8
82.07357	1.3
83.04980	6.0
83.08609	18.8
84.04501	0.9
84.08144	0.9
85.06546	1.2
85.10153	0.9
86.06054	15.3
86.09701	1.8
89.07135	3.1
91.05505	1.1
92.04994	1.3
93.05775	2.6
93.07034	19.9
95.07978	1.0
95.08593	22.0
96.08108	2.7
97.06516	32.6
97.10175	1.9
98.09682	1.3
100.07603	34.4
105.08696	0.7
106.06541	1.0
107.07851	1.6
107.08577	26.0
109.10136	12.9
110.05998	2.1
111.04445	2.7
111.08067	13.9
111.11706	22.7
112.08411	0.9
112.11259	1.1
114.09154	32.8
114.09963	1.7
115.09434	1.0
116.84739	0.9
124.07562	3.2
125.06048	0.8
125.07085	0.9
125.09656	0.8
125.13234	2.2
126.05460	1.0
128.10698	3.6
128.14323	5.8
128.95091	3.1
134.06004	7.1
135.11673	54.0
136.11993	1.6
139.03885	1.8
142.05823	1.6
142.08652	1.4
143.08562	1.2
146.96124	4.7
152.07037	15.3
152.08226	0.9
153.12724	55.4
154.13020	1.7
156.09322	2.0
170.05882	1.2
170.08095	7.8
170.09618	8.2
170.15376	61.2
171.11604	2.4
171.14766	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	170.081
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03978	0.5
55.01866	3.0
55.05533	1.5
56.96573	0.9
57.03432	4.0
58.99874	0.5
61.02919	3.3
65.52206	0.4
67.01875	0.5
67.05529	0.6
68.98328	0.4
68.99789	0.7
69.03421	9.1
69.07092	0.6
70.03775	0.6
70.86086	1.2
71.02978	8.4
71.04999	0.7
71.53073	0.8
72.02871	0.9
72.52964	1.1
73.01406	0.4
73.02921	2.8
75.01914	0.4
77.00924	0.5
77.02989	0.5
77.52199	1.4
78.52953	2.6
79.03026	1.0
79.05495	1.2
80.03522	1.8
81.03420	0.9
81.04549	0.7
82.01422	2.4
82.06597	0.6
82.53789	0.7
83.04990	1.4
84.04489	0.7
85.01402	0.8
85.02893	4.4
85.07668	0.5
86.52687	13.3
87.02800	1.7
87.04490	0.9
87.52564	2.1
87.53497	1.4
89.03500	0.5
90.03723	0.6
91.02334	0.6
92.52701	3.6
93.05754	0.5
94.02698	0.7
95.01340	1.5
95.53207	18.8
96.03268	2.3
96.06883	2.1
96.08121	0.8
96.52568	0.5
96.53117	1.9
97.02904	1.7
98.03471	3.1
98.53493	0.5
100.02464	15.3
101.00867	2.9
101.02563	1.3
101.03451	1.0
101.53176	0.9
102.00986	0.8
102.02301	2.0
103.02451	2.5
103.03149	1.1
104.53726	0.8
106.06568	0.9
106.52432	2.1
107.03991	4.6
107.54097	0.9
108.03931	0.6
109.03031	1.0
110.03194	0.5
110.03938	1.1
110.06058	0.9
111.00809	1.4
111.02930	0.7
111.04459	1.7
113.02345	4.9
114.52145	0.4
114.54002	0.7
115.02425	3.0
115.03930	0.6
116.03925	2.3
117.03999	1.1
118.03509	8.0
118.53519	0.6
118.54803	0.6
119.01895	10.7
119.03642	1.2
119.04475	0.7
120.01943	2.3
120.03275	1.0
121.01664	1.6
121.03463	1.9
122.03886	0.6
123.02935	0.6
123.04054	1.8
123.52676	0.7
123.54473	1.0
124.02502	0.8
124.07579	5.7
124.08537	0.6
124.11210	0.9
125.04490	1.9
125.06105	0.7
125.07103	1.3
127.03939	1.0
128.51906	0.6
128.95042	0.5
128.98645	0.6
129.00330	0.5
129.03943	2.4
131.01880	3.0
133.01668	1.1
133.03439	4.1
134.05992	50.3
135.05003	1.0
137.02937	1.4
137.52417	1.1
139.00238	5.5
139.03864	0.8
141.05124	1.6
142.03481	3.8
142.04539	0.5
142.05853	0.8
143.01874	1.3
143.03584	0.5
144.99818	0.6
145.03409	1.7
146.03613	0.6
146.52873	0.5
146.96135	0.9
146.99599	1.1
147.01387	5.3
147.03159	1.1
147.05000	12.9
148.05084	0.6
149.03114	0.5
151.04485	0.9
152.07039	100.0
153.07390	2.6
154.03523	0.6
155.03316	0.5
156.03191	0.6
156.05049	0.6
157.01318	4.9
159.01285	0.5
159.05052	0.7
161.02934	1.9
161.05490	0.5
163.00836	0.6
163.02794	0.6
163.04465	0.6
165.06058	4.6
170.02930	4.1
170.06602	2.8
170.08081	20.5
170.09479	1.7
170.11671	0.6
171.01411	0.8
171.02841	1.6
171.04999	0.9
171.07594	2.6
175.04411	0.5
177.06090	2.2
186.02399	1.9
187.00912	1.0
189.02422	0.7
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	Unknow
Peak:m/z	Relative Intensity
50.22269	0.3
51.86118	0.3
53.03960	0.4
55.01884	1.0
55.05528	0.8
56.96585	0.9
57.03433	2.1
59.05016	0.7
61.02922	1.6
69.03413	2.7
69.07117	0.3
69.52777	2.3
70.06619	0.2
71.03005	0.9
71.04980	0.6
73.02900	2.7
73.16699	0.3
75.04485	0.3
79.05519	0.9
80.03558	0.4
81.01931	0.4
81.03443	1.1
81.04562	0.7
81.05814	0.4
81.07046	0.3
82.01435	0.5
83.05013	1.2
84.52985	0.3
85.01414	0.5
85.02890	3.2
85.07661	0.4
86.52689	1.4
86.99352	0.5
87.04476	0.5
88.02682	0.6
91.02374	0.5
92.52730	0.3
93.53508	0.4
94.02699	0.8
95.03487	0.8
95.53236	1.2
96.02451	0.3
96.06854	0.4
96.08125	1.4
97.02834	1.4
98.03104	0.3
98.21297	0.9
98.97604	0.4
99.04478	0.4
100.02449	1.9
101.00876	1.9
101.02525	0.3
101.03461	0.6
102.00964	0.8
102.02345	0.7
103.00586	0.4
103.02447	3.2
103.03159	0.7
103.53329	0.3
105.53448	0.6
106.06559	0.8
107.03416	0.7
109.03152	0.4
110.03966	1.4
110.97576	0.4
111.02940	0.8
111.04459	0.9
112.03765	0.4
113.00875	0.4
113.03479	0.7
114.54012	0.6
114.94933	0.3
115.02412	1.6
116.03941	1.4
117.02160	0.4
117.03996	1.8
117.04736	0.5
118.01151	0.4
118.03545	0.8
119.01894	4.8
119.02676	0.4
119.03693	0.4
119.04488	1.0
120.01978	1.5
121.01710	0.7
121.03461	1.6
122.03900	0.6
122.53765	0.4
123.06799	0.7
123.54490	1.4
124.03703	0.4
124.07568	5.6
125.04478	2.2
125.07045	0.4
127.02431	0.4
127.03921	1.2
128.98592	0.6
129.00391	0.3
129.03961	2.6
130.03761	0.5
131.01886	1.3
131.04456	1.0
133.01715	0.4
133.03435	3.5
134.05995	59.0
135.03241	0.4
135.05054	1.6
135.06325	1.1
137.02901	0.7
139.00302	0.4
140.04968	0.6
142.03479	1.4
142.08688	0.3
143.01843	0.6
145.03444	1.4
146.03702	0.6
146.04852	0.4
146.99623	0.5
147.01376	2.5
147.03198	0.5
147.04997	11.4
148.05136	1.0
151.04498	0.4
152.07040	100.0
153.07393	2.6
154.03427	0.3
156.03200	0.3
156.05060	0.7
157.01297	0.4
157.03447	0.6
158.06583	0.5
159.03828	0.4
159.05020	1.1
161.02919	0.6
161.05528	0.4
163.02724	0.3
165.06062	4.0
166.06154	0.3
169.03423	0.5
170.02995	1.9
170.06580	2.9
170.08061	18.8
170.09219	0.9
171.03035	0.4
171.04997	0.5
171.07625	0.5
171.11243	1.1
175.04477	0.4
177.06111	2.3
185.02914	0.4
186.06181	0.3
188.07652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1221
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
53.00293	1.1
53.03933	3.1
55.01855	3.1
55.05252	1.6
55.05500	17.1
57.03411	2.0
57.07055	4.1
58.06589	1.2
59.04993	3.3
59.06120	2.1
65.03643	1.6
65.03935	16.8
67.05499	13.3
68.99780	5.4
69.03406	4.9
69.07052	5.3
69.88471	1.2
70.06566	3.5
70.92914	1.9
70.93253	2.7
71.04984	29.8
72.08146	1.5
74.97492	1.2
76.39342	1.2
79.05482	7.8
81.03410	11.9
81.07046	43.0
82.07369	1.2
83.04973	10.8
83.06094	2.1
83.08629	1.9
84.04446	1.1
84.08126	2.6
85.02892	3.8
86.08418	1.7
89.05990	1.7
91.05488	2.7
93.03412	7.8
93.07036	6.3
95.04955	6.6
95.08598	10.9
97.02904	2.3
97.06518	4.4
97.07600	1.1
97.60448	1.2
98.03654	5.2
99.04439	1.5
99.08086	2.9
100.64148	1.1
105.07026	6.1
107.04871	1.2
107.08576	9.3
109.02874	36.2
109.06516	8.5
109.07639	2.2
109.10146	16.1
110.03652	3.5
110.07162	2.6
111.00790	25.2
111.04431	30.9
111.08059	6.0
111.09191	9.3
113.06024	2.4
119.11195	1.1
123.04425	3.3
123.08076	8.0
123.11698	24.3
125.05980	10.3
125.09590	2.7
126.03114	40.1
126.10217	1.8
127.03894	5.2
133.10114	3.5
134.05989	4.2
139.11201	3.2
141.05446	100.0
142.05756	2.6
146.96140	1.8
151.03862	6.1
151.07545	4.7
151.08617	1.4
151.11127	8.6
152.07079	9.1
152.08160	2.5
154.02553	6.1
155.03384	5.0
169.01312	2.1
169.04948	48.1
169.07397	3.1
169.08617	5.3
169.10895	2.0
169.12149	8.6
169.14494	3.0
170.05733	6.8
170.08086	2.5
170.09464	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0857
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
52.75963	0.9
53.03941	11.0
55.01860	7.5
55.05501	13.4
56.05018	1.1
57.03430	6.7
57.04508	1.0
57.07063	2.7
59.04991	1.0
59.06121	1.5
65.03929	8.8
67.05493	22.5
68.37624	1.0
68.99783	4.2
69.03419	43.5
69.07043	5.9
70.06551	1.6
71.04980	12.3
71.06271	2.2
71.06622	1.2
72.08125	1.0
79.05476	16.1
81.03407	19.0
81.07043	56.4
82.07404	1.2
83.04968	31.5
83.06081	1.8
83.08604	2.9
84.08134	1.2
85.02891	20.2
85.03418	1.1
85.06535	4.0
91.05447	5.0
92.87830	0.9
93.03396	3.2
93.07025	7.8
94.06503	0.9
95.04952	7.9
95.08590	37.4
97.02868	1.1
97.06508	3.8
98.03664	2.4
99.04413	2.6
99.08093	2.8
103.92713	0.9
105.07009	17.2
107.08569	8.7
108.08879	1.0
109.02862	100.0
109.06496	57.8
109.07613	1.9
109.10131	12.9
110.03177	1.3
111.00775	13.9
111.04423	14.9
111.08059	12.2
111.09180	3.9
113.02339	2.4
123.04426	8.0
123.08047	36.8
123.11681	15.6
124.01572	1.2
124.07565	1.4
125.06007	4.7
125.09631	1.4
126.03117	26.2
127.03905	8.7
131.03369	6.7
133.06447	5.7
133.10126	3.6
134.05951	2.5
139.07526	1.3
141.05440	71.7
141.09088	1.5
142.05850	1.3
151.03876	5.2
151.07529	27.9
151.11153	7.4
152.07028	5.5
152.08134	1.1
154.02585	3.4
155.03384	1.3
169.01305	2.4
169.04959	31.9
169.06328	2.4
169.07521	2.4
169.08633	39.5
169.10056	2.3
169.12251	4.3
170.08011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0493
Annotation	DHMAL
Peak:m/z	Relative Intensity
53.03921	2.2
55.01857	1.4
55.05507	4.0
57.07048	1.2
59.05014	0.9
59.06092	1.2
64.15398	0.6
65.03928	8.9
67.01839	2.0
67.05202	0.6
67.05493	6.1
68.05002	0.8
68.99777	4.9
69.03407	2.6
69.07061	3.2
70.06562	1.6
70.48724	2.2
71.04977	6.7
71.06908	0.9
71.08659	0.5
72.08126	1.3
79.05469	2.4
81.03402	8.5
81.07041	14.9
82.06516	0.7
83.04945	2.5
83.06066	1.3
84.08107	0.9
85.02894	2.5
85.06528	1.9
85.07655	1.0
85.94590	0.6
91.05462	1.2
93.03398	3.6
93.07022	3.0
95.04949	5.5
95.08600	5.0
97.02876	1.4
97.06506	1.9
98.03654	2.7
99.04433	1.5
99.08064	1.3
105.07026	2.4
107.04921	0.7
107.06140	0.6
107.08580	4.6
109.02106	1.2
109.02859	23.4
109.06491	4.4
109.07642	1.6
109.10148	6.2
110.03652	1.6
110.07148	1.5
111.00782	13.3
111.03687	1.3
111.04422	17.4
111.08062	4.8
111.09182	4.3
113.05962	1.8
123.04415	16.5
123.08044	3.5
123.11693	9.0
124.04748	0.9
124.07648	1.1
124.08643	1.0
125.05991	5.9
125.06914	1.1
125.09516	0.6
126.03110	21.6
126.10200	0.9
127.03915	9.3
127.07500	0.9
133.06462	1.0
133.10103	1.8
134.05997	3.3
139.03957	0.7
139.11172	1.8
141.05440	73.4
142.05762	1.0
151.03876	27.7
151.07526	1.3
151.11169	4.9
152.07031	5.4
152.08153	1.0
152.11824	1.0
154.02599	3.7
155.03343	2.8
169.01271	1.9
169.04938	100.0
169.07501	4.5
169.12178	4.2
169.14465	1.5
170.05672	5.1
170.07988	1.3
170.09395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1017
Annotation	(-)-Sympatol
Peak:m/z	Relative Intensity
50.68231	0.2
53.03937	0.4
55.01860	0.5
55.05511	0.4
58.72770	0.2
67.05504	0.4
69.03426	0.3
69.07046	0.4
71.00359	0.5
71.00736	0.4
78.04691	0.3
79.05043	0.4
79.05452	1.5
80.05003	0.6
80.05818	0.3
81.03407	0.4
81.07031	0.7
82.06572	0.3
91.05473	1.1
92.06276	1.4
93.05771	1.1
93.07014	0.5
94.06545	1.0
94.07358	0.3
95.04950	0.5
95.08600	0.9
96.05309	0.2
97.06499	0.2
104.05011	0.5
105.07014	5.4
106.06505	0.4
107.04475	0.2
107.07321	4.3
108.05250	0.3
108.08132	0.3
109.02866	0.9
110.09669	0.5
111.00826	0.3
111.08038	0.3
115.05419	0.3
117.05745	1.4
121.08873	0.4
122.06059	0.3
122.09653	15.9
123.10020	0.4
123.11694	0.3
124.04729	1.2
125.05523	0.4
126.03104	0.6
126.42880	0.2
130.06490	0.3
131.07271	0.2
132.08066	1.4
135.06781	0.7
140.07001	0.4
141.05443	1.5
150.09120	100.0
151.09489	3.0
153.04999	0.5
168.07396	6.8
168.10179	33.5
169.04956	0.7
169.07510	0.5
169.10486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1428
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.02368	0.5
53.03933	2.1
55.01851	1.3
55.05257	0.5
55.05505	8.3
57.03416	1.5
57.07078	2.1
65.03915	0.6
66.04685	0.5
67.05160	0.6
67.05495	7.3
69.03398	1.5
69.07057	14.4
70.77863	0.7
71.04975	1.7
77.03909	0.6
78.04694	10.7
79.05477	10.0
81.03394	1.3
81.07044	42.8
82.07372	1.2
83.04948	1.5
83.08602	6.2
85.06528	6.7
87.96402	0.4
91.05459	4.0
92.27296	0.4
93.03438	0.5
93.07027	23.0
94.04171	0.5
95.04954	4.2
95.08597	12.9
96.05722	0.9
97.06516	3.4
97.10156	7.8
99.08073	2.6
105.03365	1.1
105.07023	2.2
106.04156	4.0
107.04948	4.7
107.07848	1.0
107.08581	18.9
108.08932	0.6
109.02863	1.9
109.06508	2.9
109.10134	5.5
111.04424	0.5
111.08060	7.2
111.11666	0.7
120.02067	0.6
121.02892	0.7
121.06465	1.7
121.10126	14.1
121.11015	0.7
122.03611	1.3
123.04413	19.8
123.08041	1.0
123.11691	19.7
124.05202	6.5
124.11969	0.5
125.05976	1.0
125.09602	1.7
131.08453	0.7
134.03601	1.2
135.04424	1.0
137.05927	1.4
139.07532	1.7
139.11145	0.9
140.95096	0.5
149.02330	0.9
149.05983	0.7
149.09554	2.4
149.13239	14.5
150.13586	0.7
151.03864	3.6
152.04668	5.0
167.07016	100.0
167.10567	2.9
167.14291	48.1
168.04132	0.6
168.07442	3.3
168.14647	1.1
170.78860	0.4
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	Unknow
Peak:m/z	Relative Intensity
51.02361	0.5
52.87217	0.4
53.03931	1.2
54.15303	0.4
55.01868	0.4
55.05506	3.7
57.03421	0.5
57.07059	1.2
58.42375	0.4
59.04974	1.2
61.53901	0.5
65.03915	1.0
65.66513	0.4
67.05490	6.3
69.03429	0.9
69.07062	5.6
69.96075	0.9
69.96490	1.9
71.04983	10.0
73.06548	4.5
77.03928	0.5
78.04260	0.6
78.04699	9.9
79.05475	8.9
81.03402	0.9
81.07047	9.0
83.04954	1.5
83.08609	2.7
85.06527	1.1
90.09472	0.4
91.05482	2.5
93.03382	0.4
93.06466	0.7
93.07031	12.5
95.04951	3.2
95.08592	24.5
96.05720	0.7
97.06503	2.3
103.05399	0.5
105.03371	0.9
105.04502	0.7
105.07010	2.0
105.88188	0.4
106.04158	4.2
107.04950	6.9
107.08577	15.4
109.02853	1.4
109.06483	2.0
109.10132	5.9
111.04454	0.6
111.08054	1.9
121.02827	0.5
121.06496	1.6
121.09302	0.7
121.10125	10.4
122.03654	1.1
122.09646	0.5
123.04414	19.6
123.08064	1.0
123.11678	2.7
124.05208	6.1
125.05943	1.2
125.09599	1.3
131.84201	0.5
134.03622	1.0
135.04408	2.4
137.05945	0.8
139.07501	1.5
139.11165	0.5
149.02339	0.5
149.05931	0.8
149.09593	2.0
149.13232	7.4
150.09109	0.9
150.13580	0.5
151.03876	3.6
152.04681	5.2
167.07014	100.0
167.10681	2.5
167.14272	5.2
168.07401	2.8
188.61769	0.4
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	Unknow
Peak:m/z	Relative Intensity
52.03128	0.4
53.03922	1.8
55.01855	0.7
55.05502	4.0
57.03421	1.1
57.07057	0.9
59.04969	1.2
59.21037	0.4
65.03912	0.8
66.04680	0.5
67.05494	6.8
69.03400	1.3
69.07056	6.4
69.22012	0.4
69.81083	2.8
71.04984	10.4
71.13840	0.4
73.06538	2.9
77.03864	0.4
78.04699	12.2
79.05061	0.8
79.05484	9.6
81.03391	1.5
81.07047	11.7
83.04951	1.8
83.08611	2.3
85.02896	0.6
85.06524	1.2
91.05467	2.4
93.03410	0.5
93.07032	12.5
94.04134	0.7
95.04945	2.7
95.08594	21.7
96.05128	0.4
96.05735	1.0
97.06499	2.5
97.10123	0.5
98.78688	0.4
99.04461	0.4
105.03345	0.9
105.07017	1.9
106.04176	4.3
107.04935	5.1
107.08579	17.3
108.08891	0.6
109.02842	2.3
109.06503	2.3
109.07641	0.7
109.10133	7.4
111.04382	0.8
111.08048	2.7
121.01659	0.6
121.02811	0.5
121.06494	1.5
121.10119	9.3
122.03629	1.7
123.04411	20.9
123.08044	1.3
123.11654	2.4
124.05229	7.0
125.05985	1.2
125.09588	1.5
131.08470	0.6
134.03603	0.8
135.04382	1.1
137.02286	0.6
137.05965	1.1
139.07520	1.7
145.48720	0.4
148.48550	0.4
149.02342	0.9
149.05890	0.5
149.09570	2.0
149.13232	8.5
151.03865	3.6
152.04695	5.0
167.07014	100.0
167.10707	1.6
167.14282	6.0
168.07414	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	167.0701
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02370	0.3
53.03929	0.9
55.01853	0.8
55.05494	1.2
59.04995	0.5
59.06095	0.4
65.03922	1.0
66.04672	0.6
67.05476	0.9
67.14703	0.3
68.05034	0.2
69.03400	1.1
69.07038	0.8
70.03686	1.4
70.06554	0.7
71.04965	0.6
73.02892	0.8
78.04694	7.8
79.05054	0.5
79.05478	5.1
81.03388	0.6
81.04506	0.3
81.07038	1.6
82.06591	0.4
83.04976	1.7
83.06078	0.5
83.08614	0.5
84.08094	0.4
91.05466	2.4
93.03376	0.7
93.07033	3.4
94.04165	0.8
94.06551	0.3
95.04948	2.4
95.08579	0.6
96.05701	0.9
97.06512	0.7
97.07596	0.3
98.20805	0.3
105.03354	0.7
105.04478	0.3
105.07003	0.8
106.04153	3.3
107.04937	2.6
107.08575	3.7
109.02839	1.4
109.06551	1.2
109.07610	1.1
109.10101	0.7
110.08434	0.4
111.04413	0.8
111.08041	0.7
111.09167	0.8
121.01598	0.4
121.02847	8.0
121.06467	2.9
121.08450	0.4
121.10114	2.4
122.03624	1.1
122.07120	0.5
123.04411	15.8
123.08050	0.8
123.09055	0.3
123.11694	0.5
124.05206	5.6
124.08678	0.7
125.06023	0.5
125.08223	0.3
125.09595	0.8
126.10287	0.3
131.08530	0.6
134.03596	0.9
135.04387	1.7
137.05933	0.9
139.03856	0.3
139.07512	1.7
140.07027	0.5
144.03198	0.6
149.02333	0.7
149.05954	3.6
149.07932	0.8
149.09654	1.2
150.05437	0.4
150.10265	1.2
151.03894	2.8
152.04640	3.4
157.04909	0.5
167.03389	2.4
167.07007	100.0
167.14270	0.7
168.07478	2.3
168.13806	0.4
170.52939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02364	0.4
52.03151	0.3
53.03929	0.9
55.01863	0.4
55.05492	0.7
57.03426	0.3
64.33432	0.2
65.03913	0.4
66.04708	0.7
67.05497	1.3
69.03419	0.5
69.07051	1.0
69.69872	0.8
69.70305	0.9
71.04971	0.4
77.03916	0.2
78.04701	10.9
79.05052	0.4
79.05479	4.8
81.03412	0.5
81.07040	2.3
83.04960	0.6
83.08596	0.3
85.02897	0.3
91.05453	1.3
93.03352	0.4
93.07041	2.3
94.04185	0.7
95.04964	2.2
95.08586	1.6
96.05724	0.7
97.06498	0.9
97.07642	0.3
98.20756	0.5
102.58480	0.3
105.03375	0.8
105.06994	0.6
106.04161	4.3
107.04943	3.4
107.08587	2.4
109.02866	1.3
109.06486	1.0
109.07654	0.4
109.10139	0.8
110.03630	0.3
111.08055	0.8
112.77460	0.3
120.02046	0.3
121.02796	0.3
121.06487	0.5
121.10139	1.6
122.03614	1.3
122.07137	0.2
123.04411	20.2
123.08034	0.5
123.11703	0.5
124.05211	6.4
125.05907	0.7
125.09585	0.5
131.08589	0.3
134.03633	0.7
135.04408	1.1
137.02272	0.2
137.05960	1.0
138.03069	0.3
139.07542	1.1
139.11180	0.5
141.66292	0.2
142.80685	0.2
149.02325	0.4
149.05994	0.3
149.09619	1.1
149.13213	0.7
150.10266	0.4
151.03876	4.3
152.04677	4.7
167.07018	100.0
167.14287	0.8
168.04126	0.5
168.07339	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03924	0.9
55.01859	0.4
55.05478	0.4
56.29797	0.2
57.03407	0.3
65.03913	0.4
66.04693	0.6
67.05489	0.6
69.03403	0.2
69.07050	0.4
70.82330	0.7
77.03922	0.4
78.04699	10.3
79.05053	0.5
79.05480	3.6
81.03400	0.4
81.07032	1.1
83.04942	0.3
83.08598	0.3
85.02914	0.2
91.05458	1.0
93.03387	0.4
93.07026	1.2
94.04187	0.6
95.04965	2.1
96.05722	0.8
97.06511	0.4
105.03356	0.9
105.04469	0.4
106.04153	4.3
107.04956	3.5
107.08561	1.0
109.02830	1.4
109.06509	0.5
110.03693	0.2
111.08043	0.5
120.02096	0.3
121.02862	0.4
121.06453	0.4
121.10126	0.9
122.03594	1.2
123.04408	19.0
123.08013	0.3
123.11675	0.3
124.05211	6.1
125.06024	0.3
134.03601	1.2
135.04344	0.8
137.02318	0.4
137.05959	0.8
138.03107	0.3
138.66429	0.2
139.07562	0.6
149.02237	0.3
149.05933	0.3
149.09645	0.4
149.13297	0.3
151.03873	4.0
152.03519	0.4
152.04659	4.8
156.93898	0.2
167.07007	100.0
168.04132	0.6
168.07364	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	166.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01860	0.7
55.05500	6.2
56.05032	1.7
57.03445	1.3
57.07094	0.6
61.52739	0.6
64.68748	0.7
65.03948	0.8
67.05493	4.0
68.05017	2.5
69.03416	27.3
69.07066	2.5
70.06579	16.0
71.04983	1.5
71.62121	0.9
78.04693	3.8
79.05481	13.1
80.05007	1.9
80.05799	0.7
81.03405	1.1
81.07044	40.4
82.06558	0.9
82.07379	1.2
83.04962	1.8
83.08597	1.2
83.93037	1.9
84.04491	2.5
84.08110	1.5
85.02898	1.3
86.06052	36.3
87.06411	0.8
91.05472	2.0
92.05806	0.8
93.07018	3.7
94.06530	1.5
94.07145	0.5
95.04943	2.7
95.08580	2.0
96.08114	19.3
96.08799	0.8
97.06500	1.4
98.06039	100.0
98.09653	1.1
99.06371	1.2
102.02269	0.6
103.05441	0.8
105.03320	1.0
105.07006	1.1
106.04129	1.2
106.07336	0.7
107.04942	2.3
107.08564	4.8
109.06492	1.6
109.10094	1.1
110.06004	1.7
110.06813	0.8
110.09717	0.8
110.10462	1.0
111.04445	1.0
111.08051	0.8
112.06813	1.2
112.07592	20.3
118.94328	0.7
119.95137	1.4
120.01973	1.5
120.03250	0.8
120.04469	1.2
120.05292	0.9
120.08093	6.1
120.08874	0.9
121.01607	0.7
121.02850	1.1
121.06483	2.0
121.10088	2.8
123.04427	6.4
124.05181	1.9
124.07571	65.9
125.07967	1.6
125.09667	0.7
131.08537	0.9
134.03629	0.6
136.07590	1.0
137.05823	0.7
138.03050	1.1
138.05443	1.1
138.09029	0.8
138.09955	0.8
139.07489	2.2
142.96684	9.1
143.03641	1.3
143.96658	0.9
145.68318	0.6
148.03722	0.8
148.04721	2.6
148.07481	0.8
148.11110	1.5
149.02310	1.2
149.05962	0.7
149.09561	1.5
151.03824	1.6
152.04626	1.5
161.04660	1.5
165.98222	1.7
166.04913	5.8
166.08429	5.0
166.12221	22.7
167.03287	1.7
167.07010	34.7
167.10609	1.8
167.12798	0.6
167.14224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0861
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.02375	0.1
55.13897	0.1
71.17978	0.2
71.18311	0.1
77.03874	0.1
79.05471	0.5
85.84558	0.1
91.01492	0.1
91.05449	0.3
93.07028	1.0
103.05452	4.5
104.05806	0.1
107.04939	1.8
120.08086	100.0
121.06487	0.1
121.08427	2.7
129.62242	0.1
131.04906	3.1
143.03665	0.2
149.05951	1.2
149.69051	0.1
152.81491	0.1
166.07301	0.2
166.08594	2.8
167.07028	0.2
172.50909	0.1
175.43320	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03926	2.6
54.31734	0.8
55.01848	2.5
55.05501	7.1
56.34394	0.9
57.03422	4.2
57.07065	4.7
58.06575	0.9
59.04974	3.6
65.03923	3.3
66.04704	1.1
67.05495	26.0
69.03420	11.0
69.07050	8.3
70.06582	1.1
71.04964	2.8
71.62413	1.3
79.05481	14.9
80.04998	1.6
81.03407	4.8
81.07045	33.5
82.06546	1.0
83.04977	8.1
83.06067	2.8
83.08586	3.1
84.72399	0.8
85.02891	1.0
85.06483	1.5
91.05467	25.0
93.07027	12.3
94.04161	1.6
95.04955	41.1
95.08590	32.6
96.08885	1.4
97.06487	1.8
97.07625	0.8
98.07128	0.9
101.00810	0.9
103.05440	3.5
105.03383	1.7
105.07013	26.1
105.61140	0.9
107.04934	6.5
107.06043	1.4
107.08578	48.7
108.05699	1.4
108.08897	1.7
109.02837	1.3
109.06497	25.6
109.07625	1.7
109.09353	1.0
109.10129	11.5
110.07244	2.4
111.04416	1.9
111.09203	0.7
117.06960	3.8
119.01891	5.7
119.04934	10.2
119.05833	1.1
119.06104	0.9
119.08566	40.9
120.08072	6.3
120.08909	2.3
121.06486	2.5
121.07539	0.8
121.10126	11.4
122.03664	1.3
122.07188	4.2
123.04411	3.4
123.08048	37.7
123.11686	29.3
124.08646	2.4
124.11996	1.2
124.35784	0.9
127.07551	1.2
129.05481	1.1
129.06981	1.7
131.04947	1.0
132.05640	2.5
133.02866	6.4
133.06483	7.5
135.08035	2.2
135.11679	0.8
137.02995	2.0
137.05951	10.9
137.09579	9.8
137.12321	1.7
137.13226	6.6
142.03484	4.1
145.10078	1.1
147.04381	22.5
147.08026	21.5
147.09186	1.2
147.10515	0.8
147.11661	15.6
148.08618	1.9
148.11951	0.9
150.10410	1.0
160.04494	0.9
165.01823	1.7
165.05476	9.2
165.06740	1.7
165.09093	31.8
165.11484	4.9
165.12724	100.0
166.04945	3.0
166.08534	1.8
166.13104	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	165.1272
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
51.02373	0.6
53.03922	1.3
53.82147	0.6
55.01863	3.2
55.05501	6.6
57.03435	6.8
57.07058	1.5
63.56676	0.6
65.03942	1.1
67.05493	34.4
68.79286	0.6
69.03418	6.3
69.07052	7.6
69.92023	0.6
70.77402	1.9
71.04980	2.4
79.05478	30.5
81.03406	1.4
81.07043	73.1
82.07382	1.3
83.04968	8.9
83.08604	1.5
85.06528	3.8
91.05464	39.1
93.07028	34.4
95.04954	9.3
95.08588	22.8
97.06519	8.0
99.04482	0.7
99.08084	0.8
103.05466	1.0
105.07013	63.6
106.07343	1.7
107.04939	1.5
107.08576	23.3
109.06489	11.6
109.10139	12.7
117.06982	1.6
119.01926	3.1
119.04954	3.3
119.08560	55.3
120.08100	1.2
120.08907	1.6
121.10122	60.0
122.07256	3.3
122.10468	1.3
123.04415	1.0
123.08053	7.2
123.11674	10.2
133.02827	3.0
137.03006	0.7
137.06009	3.3
137.06929	0.8
137.09595	17.0
137.13216	2.5
142.03485	2.0
142.96651	1.9
145.10074	2.2
147.04382	7.1
147.11661	100.0
148.11977	3.8
160.04491	0.7
165.01794	1.5
165.04309	0.7
165.05493	1.4
165.07817	1.2
165.09085	36.8
165.12724	87.1
166.04964	1.0
166.09459	1.0
166.13077	2.6
167.04733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.40202	0.9
53.03921	2.2
54.20465	0.9
55.01851	2.7
55.05511	4.7
55.09705	0.7
57.03437	4.8
57.07064	4.4
59.04972	3.2
60.20288	0.7
65.03925	2.4
67.05495	24.8
68.04983	0.8
69.03418	10.0
69.06767	0.8
69.07061	8.6
70.06570	1.3
71.04977	1.2
71.51297	2.0
72.62407	0.8
79.05061	1.0
79.05483	15.1
81.03395	3.4
81.07046	29.0
83.04974	4.9
83.06104	2.0
83.08600	3.8
85.02889	0.9
90.86990	0.8
91.05467	21.9
93.07035	8.3
95.04955	41.0
95.08594	25.0
96.05279	0.8
97.06466	1.0
101.00853	1.2
103.05464	4.9
105.03403	1.1
105.07018	51.3
106.07307	1.3
107.04914	4.4
107.08579	44.9
108.05694	1.2
108.08885	1.9
109.05773	1.5
109.06503	28.6
109.09273	1.4
109.10142	5.6
110.07288	1.7
111.09158	1.2
117.06992	3.3
119.01909	5.4
119.04929	15.0
119.08564	35.0
120.08089	3.6
120.08868	1.3
121.06409	1.1
121.10124	11.7
122.03628	1.9
122.07192	2.2
122.10510	1.1
123.04399	2.5
123.08050	34.1
123.10802	1.8
123.11691	31.1
124.05170	1.3
124.08713	2.0
124.12013	0.9
125.09454	1.2
129.05444	1.5
129.06947	1.5
131.08540	0.9
131.22823	0.8
132.05678	2.7
133.02850	3.8
133.05467	2.0
133.06471	36.2
134.06821	1.5
135.11679	1.0
136.08789	1.0
137.02948	1.3
137.05960	35.7
137.09622	6.8
137.12323	1.9
137.13239	7.5
141.09097	0.8
142.03493	3.9
147.04395	33.3
147.08041	18.2
147.11656	11.1
148.04742	1.9
148.08534	1.7
160.04546	1.6
165.05486	6.5
165.09096	23.1
165.11533	3.4
165.12724	100.0
166.04913	0.8
166.13068	4.3
173.21680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03930	0.9
54.03445	0.4
55.01867	2.1
55.05500	2.3
55.81708	0.3
56.05011	1.5
57.03431	1.0
58.06581	1.1
59.06104	0.8
62.92666	0.3
65.03918	1.0
67.05163	0.5
67.05492	7.9
68.05029	2.1
69.03421	4.5
69.07044	1.0
70.06594	2.1
70.06924	0.4
70.21967	1.3
71.04962	0.8
77.03896	0.4
78.82342	0.3
79.05476	3.9
80.04979	0.9
81.03408	6.3
81.04522	1.3
81.07047	4.9
82.06573	1.3
83.04974	9.6
83.06075	3.5
85.02885	0.9
85.07632	1.4
86.08434	0.4
91.05469	16.2
92.05764	0.5
93.03406	0.4
93.07021	5.3
94.04144	0.6
94.06531	0.5
95.01305	0.5
95.04952	6.2
95.06059	1.4
95.08595	8.3
97.07621	1.4
98.07163	1.2
98.21385	0.4
101.00835	1.7
103.05460	1.6
105.03406	1.6
105.04499	0.6
105.07018	10.3
107.04946	2.5
107.06051	1.5
107.08583	2.8
109.02853	2.8
109.06510	4.8
109.07624	2.0
109.10145	10.9
109.10897	0.6
110.05999	0.4
110.07170	0.6
110.10465	0.5
111.04419	1.1
111.09181	0.8
117.07018	1.6
119.01913	10.3
119.04931	16.3
119.08565	17.5
120.01958	0.4
120.05276	0.5
120.08130	3.0
120.08875	0.5
121.06482	4.8
121.07583	1.0
121.10116	1.0
122.03632	1.4
122.07220	6.6
123.04416	4.5
123.08057	13.7
123.11681	0.9
124.05112	0.6
124.08700	2.8
125.09462	1.4
129.05449	0.6
129.06970	0.5
132.05684	0.4
133.02826	4.8
133.06465	4.8
135.07951	0.4
137.02963	3.9
137.05963	11.8
137.09595	11.6
137.10471	0.2
137.10686	0.4
138.05476	0.7
138.06465	0.8
138.09145	0.6
138.10162	1.3
142.03481	8.3
142.96700	1.0
147.04391	32.2
147.08031	10.1
147.09189	0.6
147.11667	1.4
148.04756	1.0
148.07579	0.4
148.08592	1.9
150.06638	0.4
160.04550	3.6
165.01755	1.0
165.05457	12.5
165.09088	100.0
165.11359	4.4
165.12758	2.6
166.04961	1.4
166.09651	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	165.0908
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
54.03460	1.1
55.02974	0.6
55.05488	1.6
56.01378	0.9
56.05023	3.7
57.03422	1.0
58.06576	1.5
65.03913	0.6
67.05490	7.1
68.05009	3.0
69.03425	3.2
69.04534	1.8
70.06570	1.7
70.68840	0.6
71.06091	0.8
71.62471	1.3
77.99453	0.5
79.05468	0.9
80.05003	1.8
81.04541	3.9
81.07053	3.3
82.04849	0.6
82.05306	0.9
82.06548	2.5
82.99841	0.6
83.02454	7.9
83.04968	3.4
83.06091	9.5
84.06894	0.7
84.08089	0.6
85.02876	1.0
85.07641	2.4
91.05480	3.6
93.07019	1.0
95.04954	3.8
95.06071	2.3
95.08578	2.1
96.05595	0.7
96.08130	0.6
97.06390	0.7
97.07645	4.1
98.07183	3.6
101.00873	4.9
105.07011	1.1
107.04943	1.0
107.06062	3.9
107.08555	1.4
108.05573	1.0
108.06872	0.6
109.06499	2.2
109.07612	2.0
109.10138	12.0
110.07121	1.7
111.04441	1.0
111.07916	1.5
111.09179	1.3
116.94914	0.5
119.01907	29.9
119.04930	1.4
119.08569	7.6
120.02035	1.0
121.07616	1.6
121.10146	0.5
122.07198	8.8
123.05792	0.6
123.06678	4.6
123.07947	6.8
123.09170	2.3
124.05051	3.8
124.08704	18.0
125.05836	0.8
125.07073	0.7
125.09496	4.9
129.05450	0.6
133.02863	1.0
136.08708	1.0
137.02933	11.5
137.06010	1.2
137.09595	28.7
138.06567	2.1
138.10225	3.3
142.03482	8.7
147.04391	3.1
147.06583	0.9
147.07986	0.9
147.11694	0.9
148.08694	4.9
154.61140	0.5
155.21603	0.5
160.04573	4.1
161.04713	0.7
165.05176	3.2
165.07738	5.6
165.09085	100.0
165.11336	20.0
165.12704	3.3
166.04951	0.8
166.09631	3.9
166.13356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0541
Annotation	cis-3-coumaric acid
Peak:m/z	Relative Intensity
51.04861	0.6
51.21028	0.6
53.03935	0.6
55.01851	0.7
55.05495	1.7
57.03415	1.2
62.10226	0.6
62.70857	0.5
64.11774	0.5
65.03932	1.6
67.05482	2.0
69.03420	6.1
71.05003	0.8
73.02919	0.7
74.31631	0.5
79.05483	1.1
80.04985	0.7
81.03396	1.6
81.07045	2.7
83.04972	4.6
85.02891	1.5
88.87193	0.6
91.05471	19.6
92.05779	0.7
93.07028	2.3
95.04970	4.3
95.08603	3.1
99.04459	1.0
101.00872	1.3
103.05457	0.7
105.07018	2.2
107.04922	0.6
107.08576	1.9
109.06503	1.9
109.10127	2.3
111.04460	1.7
119.01913	11.1
119.04930	37.4
119.08521	3.2
120.05244	0.7
120.08055	0.6
121.10095	1.0
123.04414	2.5
123.08084	1.6
123.11671	0.6
129.05449	2.4
133.02841	3.3
134.74332	0.6
137.02957	4.7
137.05942	3.2
137.06921	0.6
137.09607	1.9
142.03482	10.8
142.96655	2.1
147.04391	100.0
147.08052	1.5
147.11668	2.3
148.04768	2.9
160.04530	3.7
165.01869	1.3
165.05434	5.9
165.09087	7.0
165.11308	0.9
165.12691	5.0
166.05008	0.7
166.08614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64482	0.5
70.81700	1.7
82.17078	0.5
82.99846	1.8
100.02469	1.8
101.00862	20.2
101.02576	0.7
102.00943	0.8
118.03524	0.8
119.01898	93.4
120.01989	3.9
124.02424	7.0
131.25011	0.6
137.02927	29.3
138.03078	1.5
142.03470	100.0
143.03580	5.3
160.04527	35.4
161.04649	2.2
165.05093	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	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	0.6
69.20385	0.5
71.06650	1.8
82.99853	1.9
100.02467	1.1
101.00867	21.7
103.08823	0.5
111.52299	0.7
119.01909	100.0
120.02029	2.4
124.02444	5.6
137.02940	29.8
138.03061	1.4
142.03485	86.0
143.03596	2.2
149.07979	0.6
150.26183	0.7
160.04543	26.5
161.04732	0.9
165.05055	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.43312	0.2
63.92339	0.2
65.03930	1.0
67.05482	0.2
68.51135	0.2
69.37903	0.8
69.38323	1.5
81.07056	0.2
85.02875	0.3
88.27390	0.2
90.43771	0.2
91.05468	17.7
92.05779	0.2
92.18712	0.2
95.04961	1.8
95.08604	0.4
105.06998	0.3
118.11037	0.3
118.86879	0.2
119.01936	0.9
119.04925	39.9
120.05259	0.8
123.04428	3.4
133.02837	0.5
133.08626	0.2
137.02922	0.2
137.05933	0.3
142.03484	0.6
147.04388	100.0
148.04720	2.8
160.04491	0.3
165.05489	1.9
165.09032	0.4
165.12764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
57.03430	0.3
63.84604	0.2
65.03934	0.9
67.05505	0.3
69.03419	0.9
69.68268	1.2
81.07059	0.4
83.04964	0.3
85.02911	0.2
91.05471	17.1
92.05818	0.4
95.04958	1.4
95.08596	0.5
101.00867	0.3
103.05402	0.4
105.07026	0.3
105.92544	0.2
107.08548	0.2
109.10123	0.3
119.01991	1.0
119.04928	40.3
120.05254	1.2
120.08109	0.3
121.30122	0.2
123.04417	1.8
125.76130	0.2
125.77128	0.2
129.05441	0.4
133.02811	0.5
137.02954	0.2
137.05965	0.4
137.09631	0.4
142.03477	1.4
147.04390	100.0
148.04738	2.5
160.04553	0.6
165.05487	1.9
165.09073	0.8
165.12759	0.5
179.39069	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68367	0.1
54.28049	0.1
56.96544	0.2
58.90120	0.1
58.99585	0.1
58.99816	0.3
60.00644	0.2
65.01190	0.2
69.03413	0.1
69.33887	0.1
70.05788	0.2
70.06181	0.1
73.02898	0.1
77.00909	0.2
80.20906	0.1
82.01427	2.8
82.99795	1.3
83.01493	0.1
83.02245	0.1
88.01837	0.1
88.02642	0.1
95.05001	0.1
98.21379	0.1
99.53415	0.1
100.02464	18.3
100.51523	0.1
101.00857	18.2
101.02534	0.7
102.01503	0.2
102.02319	0.1
102.02911	0.1
102.52531	0.1
111.02013	0.2
111.02824	0.1
113.52353	0.1
113.53175	0.1
118.01171	0.1
118.03506	12.1
119.01897	100.0
120.02465	0.2
121.01581	0.1
121.02367	0.4
122.02000	0.1
122.52851	0.1
122.53716	0.1
123.04018	1.0
124.02413	4.8
125.09469	0.1
131.54237	0.1
133.03462	0.1
136.04553	0.8
137.02930	36.1
138.03416	0.1
139.03326	0.2
140.54755	0.1
141.02713	0.1
141.04016	0.1
141.05058	1.4
142.03471	86.2
143.03831	0.1
144.03864	0.2
147.04309	0.1
156.04997	0.2
159.04948	0.1
159.06129	0.6
160.04524	30.9
161.05019	0.1
162.05017	0.1
165.05069	3.5
169.08090	0.1
173.17235	0.1
174.06139	0.1
183.06122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03939	1.0
55.01854	0.7
55.05501	0.6
56.96550	0.6
57.03422	0.7
57.07073	0.5
57.85110	0.4
63.02376	1.2
64.41177	0.4
65.03937	0.4
67.05486	0.9
68.29903	0.4
68.50491	0.4
69.03416	1.8
69.07052	1.8
69.74017	2.0
77.03906	0.8
79.05484	8.1
81.03412	0.5
81.07044	1.5
83.08636	0.5
83.46915	0.5
85.02885	2.3
89.03905	43.3
90.04255	1.0
91.05475	2.2
93.07028	3.5
95.04944	3.2
95.08588	1.0
97.02863	0.7
100.02429	0.6
103.05452	39.0
104.05796	1.1
105.03386	0.5
105.07024	1.6
107.04936	12.5
107.08575	7.4
109.06485	0.9
109.68600	0.4
111.02136	0.6
117.03363	40.3
117.06995	1.1
118.03655	1.3
119.08576	1.0
121.06519	1.1
121.10114	3.8
130.06523	1.0
131.04910	57.2
132.05243	1.7
132.08089	0.6
133.02827	1.1
135.04396	81.4
135.08015	1.7
135.11705	2.1
136.04742	2.5
136.08664	0.5
145.02829	39.1
145.03854	1.8
145.10101	2.1
146.03131	1.2
158.05988	0.5
163.03883	100.0
163.07510	32.8
163.11151	6.2
163.12303	0.7
163.14780	5.5
164.04341	2.6
164.07886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1114
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02376	0.8
53.03931	2.0
55.01853	1.6
55.05260	0.4
55.05503	4.9
56.96546	0.5
57.03419	0.5
57.07064	6.1
63.02365	0.4
65.03938	1.1
65.45123	0.4
67.05479	1.8
69.03413	2.9
69.07055	3.2
69.42810	0.7
69.43221	2.8
77.03928	1.5
79.05481	10.3
79.05946	0.6
81.03394	0.6
81.07043	6.5
83.08602	1.2
85.02877	1.1
89.03889	0.9
89.06024	4.1
91.05465	9.8
93.07023	19.6
95.04961	5.0
95.06070	0.8
95.08585	1.4
101.09631	1.2
102.01529	0.6
103.05447	69.3
104.05789	1.3
105.03371	1.4
105.04520	1.1
105.07012	8.1
106.06504	0.4
107.04934	16.5
107.08572	31.4
108.05534	0.5
108.08104	0.4
108.08892	0.7
109.06505	2.8
109.07600	0.6
115.05444	4.7
117.05792	0.5
117.06999	10.4
118.07282	0.4
119.04908	1.5
119.06101	0.5
119.08549	5.4
120.05688	1.3
120.09367	0.9
121.06496	2.8
121.09252	0.4
121.10114	10.4
122.07147	1.5
123.07979	1.1
127.07549	0.8
130.06497	0.7
130.07771	1.8
131.04903	100.0
132.05211	2.8
132.08046	1.1
133.02847	3.3
135.04404	7.2
135.08031	6.4
135.11664	29.1
136.07544	1.6
136.08588	0.8
136.11986	1.4
143.08534	0.5
145.02834	0.5
145.06415	1.9
145.10095	9.2
146.17125	0.4
148.05170	0.7
148.08801	0.6
163.03877	33.0
163.07510	74.0
163.09789	2.9
163.11122	26.0
163.14783	5.4
164.04391	0.8
164.07976	2.3
164.11563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0387
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03939	2.0
53.38018	0.7
55.01850	1.0
56.96552	1.5
57.03423	0.9
61.02917	0.7
63.02364	1.0
65.49643	0.6
69.03424	3.6
70.76835	0.6
71.04972	0.7
71.60273	1.1
79.05483	10.5
81.03394	0.8
83.06032	0.8
85.02882	3.3
85.06544	0.8
89.03903	58.4
90.04250	1.4
91.05464	1.5
93.07045	1.0
95.04949	4.0
97.02870	1.3
99.04477	0.8
100.51504	0.9
102.01485	1.0
103.05457	4.5
105.04499	1.1
107.04939	14.1
107.08594	1.8
111.02031	2.3
113.37210	0.6
117.03358	47.4
118.03644	1.2
120.02538	0.7
120.14726	0.7
121.10187	0.9
122.52854	0.8
124.72044	0.7
131.04906	5.7
132.08057	0.8
133.02820	1.5
135.04395	89.4
135.11600	0.8
136.04767	1.5
145.02824	41.5
145.03824	1.7
145.10065	0.8
145.35532	0.6
146.03163	1.1
146.07173	0.9
149.54175	0.9
154.23630	0.7
163.03880	100.0
163.07460	3.1
163.09821	1.2
163.11107	1.5
164.04247	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	161.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
54.21394	0.6
55.05500	11.6
67.05498	5.6
69.07057	13.2
69.58321	4.9
69.58657	0.6
79.05479	7.6
81.07044	17.8
90.92589	0.6
91.05466	25.2
93.07026	14.1
95.04958	1.1
95.08583	2.7
98.20678	0.6
103.05457	2.5
104.06201	0.5
105.07012	87.2
106.07287	1.2
107.08580	6.8
115.05425	1.1
116.05029	0.6
117.06996	6.8
118.06542	0.9
118.07773	1.0
119.08560	100.0
120.08923	2.7
121.10152	3.3
130.07739	0.7
131.08527	8.7
132.09282	2.1
133.06479	0.7
133.10107	47.9
134.10434	1.8
140.12708	0.6
143.08388	0.6
145.10072	1.6
146.10883	2.9
159.11658	5.0
161.05995	1.1
161.09654	5.0
161.13225	89.5
162.05461	0.8
162.13577	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03938	1.9
55.05503	10.9
66.82716	0.5
67.05509	5.8
69.07057	11.3
71.14475	1.3
79.05481	8.9
80.29309	0.6
80.58472	0.6
81.07045	19.4
83.08604	0.7
88.33196	0.6
91.05466	22.1
93.07030	15.4
95.04974	1.4
95.08587	2.6
103.05434	3.3
104.06226	1.1
105.03424	0.8
105.07016	98.7
106.07323	1.5
107.04997	0.6
107.08585	9.3
115.05452	2.4
117.06996	6.3
118.04147	1.8
119.08564	100.0
120.08954	2.3
121.06331	0.8
121.10168	3.3
131.04903	0.8
131.08553	7.7
131.84145	0.6
132.09354	1.7
133.06494	5.7
133.10112	51.4
134.10449	1.6
143.08534	1.1
145.10097	0.9
146.03603	0.8
146.10925	3.7
159.11673	4.4
161.05956	6.3
161.09633	6.0
161.13235	89.6
161.65300	0.7
162.13550	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03939	1.0
55.01870	0.8
55.05497	4.4
60.44759	0.6
65.03934	0.9
67.05491	11.7
67.05826	1.0
69.07048	5.7
70.67904	1.8
77.03938	0.6
79.05006	0.6
79.05478	13.7
81.07043	18.5
84.77454	0.5
87.25500	0.5
91.05464	39.0
92.05809	1.0
93.07024	14.9
95.04916	1.1
95.08596	7.4
96.12374	0.6
103.05461	1.7
105.07012	72.6
106.07324	2.3
107.08569	4.3
115.05425	1.8
117.06986	5.2
118.04128	1.6
119.08559	91.7
119.95718	0.6
120.08911	2.0
121.06384	0.6
131.04944	0.5
131.08548	2.4
132.09351	1.4
133.06479	4.9
133.10104	58.1
134.10486	1.2
143.08502	0.7
146.03607	2.2
146.10959	0.7
159.11629	1.5
161.05949	4.9
161.09642	4.4
161.13223	100.0
162.13594	3.6
170.29172	0.6
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
51.02382	0.2
53.03927	0.4
55.05505	5.8
57.03211	0.2
60.53521	0.2
60.67615	0.2
67.05533	0.2
69.07056	1.7
70.60027	0.6
72.27081	0.2
75.16625	0.2
79.05492	1.0
81.07043	0.5
91.05463	5.4
93.07030	1.0
103.05445	0.8
104.06219	0.3
105.07019	11.0
106.07314	0.3
107.08578	1.1
115.05459	0.7
117.07014	2.0
118.04159	0.2
118.07832	0.2
119.08563	100.0
120.08892	3.2
121.10130	1.9
131.04971	0.2
131.08511	1.2
133.06448	1.0
133.10107	12.1
134.10416	0.4
136.52644	0.2
145.85486	0.2
146.10876	0.6
159.11694	0.3
161.05949	1.1
161.09569	0.8
161.13237	16.2
162.13570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0595
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02351	0.4
53.03935	1.9
55.01864	4.4
55.05504	0.7
62.52755	0.4
65.03925	0.4
66.04704	1.2
67.05485	0.5
69.03410	1.7
69.75458	0.4
71.10104	0.5
71.10421	0.5
72.63351	0.4
77.03905	0.5
79.05477	14.8
81.07025	0.5
90.04679	2.6
91.05455	5.7
92.02590	0.8
93.07039	1.0
94.93534	0.4
95.04945	4.2
96.21476	0.4
97.02900	0.5
102.04659	0.5
103.05446	21.8
105.07011	100.0
106.07354	2.5
107.04958	1.4
113.02303	0.8
115.05432	25.7
116.05750	0.7
117.06999	0.6
118.04140	16.1
118.07806	0.4
119.04465	0.5
119.08557	6.7
120.05648	0.6
121.06474	1.5
127.71054	0.4
128.06195	2.9
131.04897	5.0
131.08553	1.2
132.05679	1.4
133.06467	53.9
133.10110	13.3
134.05884	0.5
134.06735	2.0
143.04938	0.5
143.06010	5.4
143.08519	4.6
145.06470	0.9
146.03613	1.2
146.07236	5.7
161.05962	14.9
161.09583	35.6
161.13232	4.8
162.05319	0.5
162.09938	1.3
176.55624	0.4
176.74521	0.4
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
50.09325	0.4
51.02370	0.7
53.03941	1.9
55.01862	4.3
55.05491	1.5
62.74995	0.4
66.04723	1.0
67.05486	1.2
69.07065	1.1
71.16803	1.0
77.14098	0.4
79.05476	14.9
81.07048	2.3
90.04660	2.0
91.05464	7.8
92.39730	0.4
93.07036	1.0
95.04951	3.0
102.04642	0.7
103.04876	0.4
103.05446	17.9
105.07010	100.0
106.07331	2.9
107.04942	1.2
113.02380	0.6
115.05434	23.4
117.07015	1.3
118.04140	14.9
119.04956	0.8
119.08558	16.2
119.24168	0.4
120.05598	0.5
121.06398	0.7
128.06210	0.9
131.04904	5.2
131.08514	1.2
132.05659	1.5
133.06465	52.7
133.10109	7.0
134.05959	0.4
134.06868	1.6
143.04982	0.7
143.06024	4.0
143.08527	0.9
146.03606	3.5
146.07239	1.0
161.05951	52.9
161.09572	9.6
161.13232	12.6
162.06339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0915
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
55.01847	0.9
55.05497	1.7
56.05009	2.9
56.96556	3.9
57.03413	2.2
58.06576	1.0
59.01297	0.7
59.06118	4.1
59.93088	0.8
60.04491	1.7
64.52218	0.7
67.05476	2.8
69.03413	1.4
69.07057	1.6
70.06558	1.8
70.39436	0.7
71.04974	4.6
71.06094	1.0
71.61087	1.4
72.04494	2.1
72.08141	1.3
74.06046	1.1
76.03977	1.2
76.93354	9.8
81.03384	1.3
81.04517	0.8
81.07023	2.3
83.06075	1.1
84.04480	2.3
84.08086	0.8
85.02875	3.2
85.06509	1.0
85.07619	1.8
86.06023	0.8
91.05463	1.8
94.94405	3.6
95.04939	1.6
95.06097	0.8
95.08582	3.3
96.04477	1.0
97.06541	0.7
97.07633	0.8
97.22229	0.7
98.97559	6.2
99.04416	2.7
99.05547	1.6
99.08054	1.9
99.97856	0.7
100.03958	1.0
100.06382	0.7
102.05516	1.7
102.09172	1.0
103.05432	0.8
105.06998	2.6
105.26497	0.6
112.95481	0.8
113.02357	5.9
113.05986	2.3
113.07135	3.3
113.07878	1.1
114.05505	1.8
115.05436	16.6
116.98597	9.4
117.05770	9.1
117.06557	1.3
117.95958	9.8
117.98899	1.3
118.06548	5.5
118.96773	3.3
119.01865	1.0
123.08001	1.7
124.72599	0.7
127.00252	1.0
130.05577	1.4
130.06506	22.6
131.04857	2.3
131.06860	2.3
131.08511	4.0
132.08066	86.8
132.25314	0.8
133.08386	2.7
134.99631	15.3
135.97000	10.0
135.99985	1.7
137.03119	0.8
140.04883	1.0
141.01793	17.2
141.05463	1.5
141.06520	1.7
141.09061	1.1
142.02156	0.9
142.03407	1.1
142.06499	34.2
143.07111	1.2
153.00658	4.0
153.96660	1.0
158.01201	0.8
158.08380	1.4
158.98491	1.0
159.02890	2.6
159.09131	100.0
159.11664	4.8
159.15695	2.2
160.04207	1.3
160.06204	0.7
160.07547	19.4
160.09509	3.1
160.10698	0.8
161.29213	0.6
174.42032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35917	1.4
50.46672	1.4
53.12822	1.5
54.03452	2.9
55.01862	2.9
55.05507	19.0
56.05026	23.3
56.96555	9.1
57.03429	38.0
57.04545	3.3
57.07067	20.8
57.93540	4.0
58.02931	6.0
58.06593	11.6
59.04985	3.3
59.05825	1.4
59.06120	48.1
60.04518	61.4
63.76199	1.2
67.02977	1.6
67.05494	8.9
68.05022	8.1
69.03416	2.0
69.04542	2.0
69.07057	26.5
70.02940	1.8
70.06583	46.4
71.04967	6.3
71.06110	7.8
71.08613	1.6
71.61652	2.9
72.04501	12.5
72.08143	8.5
73.02896	1.4
73.04019	4.2
73.07639	2.6
74.06070	22.4
74.93823	3.2
75.05585	10.6
75.93563	1.8
75.94600	2.5
76.03980	4.0
76.93361	11.6
79.05501	13.0
81.03400	2.9
81.04552	8.9
81.07047	72.6
82.02916	3.1
82.06568	27.2
83.04984	14.4
83.06092	27.1
83.81406	1.4
84.04501	17.1
84.08117	6.6
85.02900	3.3
85.04028	3.6
85.05257	1.8
85.06529	2.8
85.07677	7.3
86.06060	9.1
86.08434	2.7
86.09692	19.7
87.05582	100.0
88.07610	4.1
91.05445	1.7
91.23829	1.5
93.07019	2.1
94.06545	4.6
94.07330	2.3
94.94378	5.1
95.04961	7.1
95.06070	11.9
95.08025	2.1
95.08588	17.0
96.04470	6.9
96.08147	3.4
97.04007	3.1
97.06503	11.0
97.07631	9.2
97.10140	1.4
98.06063	14.5
98.07188	19.4
98.09683	64.3
98.97569	29.4
99.04432	6.9
99.05565	31.1
99.08082	60.1
99.09138	3.8
100.03974	4.2
100.06583	1.6
100.07617	33.9
101.07140	8.2
102.05543	4.7
102.07902	2.7
102.09164	41.4
104.12910	1.6
105.07009	1.9
107.06098	1.9
110.06048	2.4
110.07135	6.5
111.05555	5.3
111.07947	4.5
111.09196	5.3
112.07594	29.8
112.08401	1.8
112.11217	5.3
113.02361	4.6
113.05978	3.6
113.07102	14.2
113.09599	2.3
113.10744	3.0
114.05522	2.4
114.06634	2.2
114.09151	4.9
115.04987	3.0
115.08687	3.7
115.96399	2.9
116.07104	9.6
116.08200	7.6
116.10725	20.0
116.97261	21.8
116.98595	45.2
117.06587	8.0
117.95968	18.0
122.07133	2.6
122.09637	2.7
123.05540	8.1
123.08041	11.9
123.09026	2.7
124.07629	2.4
124.08686	3.3
128.10710	19.8
129.06970	2.1
130.06497	18.4
131.08394	2.7
134.97313	2.0
134.99640	69.7
135.03082	2.0
135.97017	14.2
140.07024	10.9
140.08130	13.7
140.10658	19.7
140.11684	2.5
141.01833	18.4
141.05435	2.4
141.06554	15.1
141.09029	8.1
141.10190	8.2
143.08484	2.5
144.09326	2.8
148.96170	3.7
152.96864	8.2
153.00679	19.1
158.01254	5.9
158.06038	15.7
158.08076	9.6
158.09557	85.9
158.11739	76.8
158.12845	4.7
158.15379	89.0
159.04350	1.6
159.07677	5.4
159.09174	4.6
159.11743	5.2
159.15822	2.3
170.97928	2.8
175.98578	2.5
176.02304	1.7
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-Tigloylglycine
Peak:m/z	Relative Intensity
53.03932	0.5
54.98644	0.3
55.01853	0.5
55.05484	0.8
55.95746	0.3
56.05025	1.7
56.96557	15.4
57.03422	0.7
57.04551	0.3
57.07069	2.0
57.93552	0.8
58.02950	0.8
58.06586	0.9
59.05000	0.4
59.06115	4.4
60.04522	2.3
61.02909	0.4
62.06054	0.4
67.05497	2.1
68.05012	0.8
69.03421	1.8
69.07058	98.1
70.06583	17.7
70.07387	1.8
70.74884	1.2
71.04976	1.4
71.06116	0.9
71.95251	2.9
72.04499	1.7
72.08141	3.6
73.02905	0.5
73.04025	0.4
74.06059	1.0
74.93794	0.5
74.97604	0.4
75.05582	0.9
76.03999	0.4
76.93353	1.2
81.03395	0.4
81.04526	0.8
81.07030	0.4
82.02927	0.4
82.06578	0.5
83.04973	0.8
83.06087	3.0
84.04485	2.3
84.08125	0.9
85.02884	1.0
85.07661	0.6
86.06045	2.4
87.04457	6.1
87.05576	9.6
88.07613	0.4
90.01538	0.3
94.06544	0.8
94.94399	0.4
95.04945	1.4
95.06086	1.3
95.08581	1.4
96.01563	0.4
96.04488	0.9
96.08129	0.3
97.02899	0.8
97.06514	1.4
97.07635	0.9
97.50948	0.3
98.06049	9.2
98.07133	2.1
98.97569	71.7
99.04440	1.2
99.05568	3.6
99.09186	0.4
100.03990	0.8
100.07593	1.2
101.07120	0.7
102.01604	0.3
102.05484	0.5
102.09158	4.7
103.05399	0.4
105.07031	0.6
110.01247	0.6
110.06011	0.6
110.07155	1.1
111.00208	0.3
111.02045	0.4
111.04358	0.3
111.05534	0.6
112.03914	0.6
112.07589	12.2
112.54276	0.3
112.55727	3.0
113.02380	0.8
113.05970	1.5
113.07105	1.8
114.05515	0.7
116.07076	3.6
116.08259	0.5
116.97213	3.9
116.98601	88.1
117.05721	0.5
117.06606	0.8
117.95969	1.1
117.98964	0.7
118.03338	0.3
118.05001	0.4
119.01818	0.6
119.07301	1.0
122.07122	0.4
123.04523	0.3
123.05551	1.0
126.02586	0.4
126.55447	1.0
128.02292	0.8
128.07030	0.3
128.98589	0.5
130.06483	0.7
131.08548	0.5
132.08032	1.2
134.99637	100.0
135.03078	1.4
135.06767	1.0
135.97005	0.9
135.99971	1.0
140.00165	3.3
140.07047	58.8
140.10651	3.2
141.01785	1.7
141.05426	3.4
141.06541	1.0
141.07396	1.2
141.09119	0.3
141.10173	0.9
147.05750	1.0
147.69086	0.3
149.06638	0.5
152.96928	2.0
153.00687	22.0
158.01236	7.1
158.04413	0.4
158.06145	0.6
158.08084	6.1
158.09541	10.0
158.11664	3.8
158.12822	0.5
158.15373	11.1
158.56529	0.4
159.02786	0.3
159.07686	0.9
159.09132	1.5
159.11658	0.8
166.67305	0.3
170.97995	0.7
176.02229	1.5
177.00720	0.3
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	Scopoline
Peak:m/z	Relative Intensity
50.95368	0.8
53.03946	1.1
55.01863	1.2
55.05511	4.5
56.05021	2.5
56.23769	0.8
57.03427	4.8
58.06578	1.6
59.06115	1.2
60.04507	0.8
66.18375	0.9
67.05486	3.7
68.04995	2.6
69.00928	0.8
69.03423	2.4
69.07056	9.4
70.06565	3.1
70.95857	12.3
71.04982	1.9
71.06091	0.9
71.08398	1.8
72.04482	1.4
72.08143	1.7
72.93782	11.5
73.02897	2.1
73.93829	2.5
74.93810	4.4
79.05481	3.9
80.05022	1.5
81.04521	1.1
81.07026	3.0
82.02919	1.7
82.06565	5.3
83.04961	2.7
83.08592	2.3
84.04485	3.4
85.06530	2.6
86.06050	1.5
86.09690	3.4
88.96883	2.8
90.94804	2.0
91.05457	2.7
93.07026	9.7
94.06542	0.9
94.83338	0.9
95.04945	2.1
95.07345	3.0
95.08604	8.7
96.04488	18.9
96.07565	1.0
96.08128	13.4
96.08804	1.6
97.05264	18.2
97.06516	12.4
97.07584	1.9
98.06068	2.0
98.07194	1.1
98.09641	1.1
100.04764	1.0
100.07616	8.2
106.06536	1.2
108.08105	3.0
108.95860	1.0
109.06493	3.0
109.07600	0.9
110.02402	3.4
110.06028	39.1
110.07182	2.6
110.09672	21.4
110.10416	1.3
111.04476	1.4
111.05569	1.0
111.06314	0.8
111.08077	10.6
111.98473	6.0
113.10787	1.1
113.96390	3.5
114.06641	3.6
115.96438	5.4
120.05526	1.0
120.08105	4.4
121.06507	4.7
123.06779	1.8
123.54446	1.0
124.04749	1.0
124.07577	3.6
125.08353	9.9
126.09138	38.9
128.07176	1.0
129.99535	4.1
131.97377	1.4
132.95816	15.7
132.97551	1.8
133.97462	2.9
138.05484	2.6
138.06653	3.4
138.09120	83.3
139.07498	2.6
139.08549	2.0
139.09499	1.6
141.01776	1.3
150.96870	35.5
155.97487	2.2
156.07581	4.1
156.10182	100.0
157.06299	1.1
157.07585	2.8
157.10542	2.0
167.18062	0.9
168.97971	2.2
173.98473	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	154.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
53.35331	0.2
53.71134	0.2
55.01853	0.5
55.05263	0.3
55.05505	4.1
56.05017	0.5
57.03413	0.5
57.07064	1.3
58.06576	0.3
59.06119	0.3
65.03922	0.5
67.05225	0.2
67.05498	2.4
68.05013	0.6
68.96311	0.2
69.03402	0.8
69.07040	0.7
70.06577	1.0
71.04976	1.1
71.32133	0.3
71.32483	0.3
71.94093	1.8
72.08146	0.2
72.93779	11.7
73.22834	0.2
79.05477	1.8
80.02153	0.4
80.05791	0.5
81.03402	0.3
81.04529	0.4
81.06573	0.4
81.07048	6.6
82.06573	1.1
82.07355	0.6
83.04960	0.5
83.06081	0.7
83.08614	1.3
84.04473	0.3
84.08123	0.7
85.06528	0.8
86.06059	0.2
89.95098	0.3
90.94817	3.3
91.05464	0.7
93.03394	0.2
93.05769	0.5
93.07028	0.3
94.06556	0.4
94.07332	0.4
95.04955	4.2
95.06022	1.0
95.08609	2.0
96.04458	0.7
96.08120	0.5
97.02885	0.3
97.05251	2.0
97.06514	0.3
98.01907	0.2
98.06056	2.1
98.07165	0.2
98.09671	1.5
99.04445	0.8
107.08564	0.4
108.01618	0.2
108.04465	0.4
108.08100	2.3
108.08918	1.0
108.95844	0.9
109.02865	0.5
109.06503	5.1
109.07626	0.8
109.10151	1.7
110.06033	3.2
110.06772	0.4
110.10487	0.2
111.04430	0.6
111.05592	0.3
111.06813	3.0
111.08030	0.3
111.09196	0.6
112.08752	1.0
112.96687	1.0
113.07140	0.3
113.96385	8.9
119.08612	0.2
121.06477	0.3
123.04427	2.2
124.07510	0.3
125.02316	0.3
125.08359	0.6
126.02650	0.3
126.05499	0.6
126.09136	2.5
126.10004	0.3
127.03891	0.5
130.96274	0.3
130.97736	0.8
131.97421	9.1
136.07558	1.0
136.08603	0.7
136.12038	0.5
137.02399	0.2
137.05940	0.6
137.06978	0.4
137.09587	0.6
137.10655	0.4
137.13254	0.4
138.05486	0.5
139.03911	0.3
139.06270	3.1
139.07507	1.4
140.04639	1.2
144.03694	0.6
148.97343	0.8
149.97214	0.5
152.07109	0.4
154.02208	2.2
154.08609	100.0
154.98994	0.9
155.02229	0.2
155.03398	0.4
155.07076	1.6
155.08958	2.4
155.10646	0.4
155.14270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03931	3.3
55.05507	13.6
57.07038	2.7
59.04996	9.7
59.39577	1.6
60.80127	1.4
65.03923	5.9
66.03767	1.7
67.05499	7.5
68.52852	1.6
69.03416	3.3
69.07066	13.1
69.53819	8.6
69.54236	4.3
70.06589	1.7
70.94246	3.8
70.95849	1.5
71.04985	45.5
71.93700	1.3
73.06545	24.0
75.31039	1.7
79.01838	6.5
79.05489	25.9
80.91695	1.4
81.07046	100.0
83.04977	4.6
83.06119	1.5
85.06572	1.9
85.96687	1.6
91.05453	7.7
93.03390	4.5
93.07027	47.3
95.04958	4.4
95.08586	14.1
97.02888	2.3
97.06506	7.1
105.06997	3.6
107.08584	43.3
109.06522	2.3
109.10131	10.6
110.03656	1.8
110.07162	2.1
111.04433	8.3
111.08063	7.3
111.96855	1.9
123.08013	2.3
125.05963	6.3
125.09615	3.8
129.97896	2.3
135.08043	3.4
135.11679	35.6
136.12042	1.5
143.03389	5.4
153.01808	20.1
153.02904	2.0
153.05444	6.8
153.09096	5.7
153.11470	2.6
153.12729	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	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.08332	0.8
53.00300	1.2
53.03926	3.2
55.05502	11.7
57.03424	2.0
57.07061	1.9
59.05002	6.6
59.23329	0.9
64.65668	0.8
65.03936	4.2
66.87176	0.7
67.05495	5.2
69.03397	1.8
69.07063	9.9
69.62612	0.8
69.88013	4.6
70.94230	1.7
71.04985	44.6
71.94083	1.4
73.06548	22.9
75.04468	0.8
79.01849	3.8
79.05488	19.1
81.07047	100.0
82.07365	2.0
83.04961	3.0
83.08615	1.9
85.06520	1.2
88.95304	1.1
91.05475	7.6
93.03387	1.7
93.07030	43.9
94.07349	1.4
94.42608	0.8
95.04929	4.6
95.08585	9.6
97.02898	1.2
97.06526	8.3
102.43418	1.0
105.07008	3.2
107.01302	1.0
107.08584	40.6
108.08888	1.1
109.06490	2.2
109.10153	7.6
110.03629	1.3
111.04433	7.4
111.08082	4.6
111.96840	1.3
119.08557	1.7
121.06447	2.6
125.02325	2.5
125.05969	3.8
125.09563	1.2
129.97887	1.0
135.08099	1.8
135.11681	36.2
136.12065	1.3
143.03404	6.3
153.01820	16.0
153.02948	2.3
153.05443	5.4
153.09094	4.3
153.11475	1.8
153.12723	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	153.1272
Annotation	3-Thujanone
Peak:m/z	Relative Intensity
51.02378	2.2
53.00294	1.2
53.03926	2.4
55.01852	2.3
55.05256	0.8
55.05503	12.0
56.05039	0.7
57.03426	1.3
57.07062	1.6
59.04731	0.9
59.04993	9.1
65.03931	4.7
67.05496	8.7
68.99761	0.9
69.03423	8.6
69.07060	7.2
70.06587	1.2
70.94243	1.4
70.96341	2.0
71.01357	0.9
71.04985	31.8
71.94103	0.6
72.08148	0.8
73.06153	1.0
73.06550	14.2
79.01849	15.6
79.05481	19.8
81.07047	64.0
83.04962	5.5
83.06087	0.7
83.08604	2.7
85.06525	0.9
88.77944	0.6
91.05470	9.3
93.03391	2.7
93.07032	36.6
95.04960	12.4
95.06074	1.3
95.08594	6.2
97.02888	3.9
97.06516	7.2
97.07571	0.8
98.96333	0.6
99.04452	0.7
105.07014	3.2
107.01283	5.4
107.04959	1.4
107.08580	42.7
109.06505	5.3
109.07669	0.8
109.10142	6.4
110.03641	2.2
110.07240	1.4
111.04437	13.4
111.08066	100.0
111.96861	0.8
112.08525	1.0
113.05798	0.6
117.06984	0.9
119.06041	0.7
119.08539	1.2
125.02336	8.4
125.05967	5.7
125.09612	44.7
126.09973	1.0
129.97871	1.0
135.04405	1.4
135.08043	7.7
135.11676	23.3
136.12010	1.1
138.03117	1.4
143.03377	16.9
153.01816	56.2
153.02925	6.0
153.05444	8.9
153.09084	25.1
153.11363	2.4
153.12740	13.9
154.02133	2.3
154.09653	1.2
171.15085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01593	1.0
51.02368	3.5
53.00288	1.1
53.03936	1.8
55.01853	2.3
55.05507	8.9
57.03420	2.0
57.07044	1.1
57.18611	0.7
59.05001	6.1
64.87308	0.7
65.03928	7.0
67.05502	10.3
68.99788	0.8
69.03416	6.1
69.04530	1.1
69.07063	7.2
69.66712	1.8
69.67142	3.1
70.06578	0.8
70.94245	3.3
71.04986	20.4
71.94100	1.6
73.06158	1.1
73.06550	12.7
79.01847	36.3
79.05486	19.6
81.03402	0.9
81.07048	55.1
82.07388	1.3
83.04971	5.4
83.08603	2.3
91.05470	8.6
93.03384	5.6
93.07031	26.5
95.01295	1.0
95.04352	1.3
95.04958	25.9
95.08595	5.9
97.02889	6.3
97.06518	6.5
97.07653	1.0
105.04489	1.0
105.07014	3.2
107.01302	9.1
107.04960	3.0
107.06158	0.7
107.08578	31.8
108.08925	1.1
109.06521	3.6
109.07629	1.1
109.10150	7.2
110.03622	1.6
110.07220	1.1
111.04434	15.3
111.08061	26.8
111.96840	1.7
112.08662	1.2
113.05882	2.0
123.00808	1.8
125.02332	16.1
125.06003	6.4
125.09613	10.0
128.35243	0.7
135.04390	0.9
135.08046	4.6
135.11673	17.9
136.08757	1.4
137.07007	0.8
138.03098	1.1
143.03383	36.0
144.03706	1.5
153.01820	100.0
153.02942	13.8
153.05406	7.2
153.06575	1.4
153.09084	8.9
153.10190	1.0
153.11325	3.2
153.12741	9.5
154.02145	3.5
154.06068	1.0
154.08575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0908
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
50.14360	0.7
51.02372	1.9
53.03947	1.2
55.01863	24.3
55.05503	12.4
57.03429	6.2
57.07050	0.8
59.04992	27.0
63.96839	0.6
65.03929	11.8
67.05491	17.2
68.99776	2.6
69.03417	14.4
69.07057	10.5
70.06584	1.2
70.94250	3.8
70.95856	1.6
71.04980	7.5
71.28370	1.2
71.28725	0.9
71.94115	1.4
72.08148	0.8
73.06542	3.4
79.01842	29.3
79.05479	42.1
80.02174	0.9
80.05825	1.6
81.03407	1.9
81.07044	21.2
82.17149	0.8
83.01299	0.8
83.04971	19.7
83.06075	1.0
83.08602	3.2
85.02906	0.7
85.07677	0.8
88.66218	0.7
88.95293	1.4
91.05463	26.7
93.03407	7.2
93.07033	27.3
94.07364	1.1
95.04954	15.0
95.06083	1.5
95.08595	10.3
97.02885	5.7
97.06509	7.8
97.10151	1.7
103.05422	0.8
105.04485	1.1
105.07024	17.8
107.01299	8.6
107.04932	10.7
107.08578	95.0
108.05736	3.6
108.08913	2.8
108.76241	0.7
109.06503	17.7
109.07622	1.3
109.10141	6.9
110.03651	3.2
110.07203	1.2
111.04425	35.3
111.08061	26.9
111.09186	1.4
111.96854	1.8
112.04818	0.8
112.08713	1.4
113.05859	1.7
115.05410	4.0
117.07024	9.0
119.06065	3.1
120.82069	0.8
121.02852	32.3
121.06481	1.6
122.03220	1.4
123.00768	1.3
123.08052	49.2
124.08355	1.3
125.02336	14.2
125.05969	8.8
125.09608	40.5
126.10027	1.9
127.74538	0.8
129.97893	2.5
133.07573	3.6
135.04449	5.0
135.08037	79.2
135.11652	7.2
136.08510	2.4
138.03107	2.2
143.03371	33.3
144.03708	1.2
148.97305	1.1
153.01814	100.0
153.02939	12.5
153.05440	14.7
153.09082	49.0
153.11334	4.3
153.12645	9.2
154.02164	3.2
154.04942	0.9
154.09663	1.9
154.13150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.6
51.02366	2.5
53.03938	0.4
55.01865	2.0
55.05504	3.5
57.03419	0.5
59.04993	2.6
65.03932	5.1
67.05492	4.2
68.05020	0.8
68.99786	0.5
69.03422	6.6
69.07069	2.7
69.36642	1.0
69.37074	2.3
70.06578	0.7
70.94238	1.9
70.95853	0.8
71.01328	0.3
71.04980	2.6
71.94084	0.6
72.04493	0.4
72.08154	0.7
73.06538	0.7
75.04460	1.0
77.29733	0.3
77.57584	0.3
79.01845	28.3
79.05481	6.5
80.02174	0.6
81.03400	0.7
81.04527	0.6
81.07048	7.0
81.87536	0.4
82.06571	0.5
82.12937	0.3
83.04974	3.5
83.06071	0.7
83.08607	1.1
85.06504	0.5
87.00821	1.0
88.95296	0.6
88.96829	0.4
89.10963	0.3
91.05472	3.8
93.03393	2.9
93.07028	8.0
94.06575	0.5
95.04958	16.4
95.06068	1.1
95.08591	1.6
97.02882	5.6
97.06508	3.5
97.07652	0.7
98.06052	0.4
98.21498	0.7
98.95618	0.3
99.04438	0.4
101.97089	0.3
105.07027	1.4
107.01300	8.0
107.02019	0.5
107.04285	0.4
107.04910	2.1
107.08579	11.4
108.05582	0.4
108.08118	0.4
108.08895	0.5
109.06493	3.8
109.07639	0.8
109.10132	2.6
110.03660	1.4
110.06033	0.4
110.07200	1.4
110.07915	0.4
111.04428	12.9
111.08064	41.7
111.96862	1.1
112.08654	1.4
112.96676	0.3
113.05876	1.1
117.07056	0.5
121.02802	0.4
121.06474	2.0
123.00771	0.9
123.08051	0.4
124.08746	0.4
125.02335	15.3
125.05975	6.0
125.06868	0.7
125.09615	21.3
126.02673	0.4
126.06590	0.3
126.10074	0.6
127.08741	0.3
129.97884	1.4
130.52771	0.3
135.04401	1.0
135.08041	4.4
135.11670	2.1
136.05118	0.4
136.07535	1.6
136.08658	1.0
138.03094	0.7
138.06718	0.6
143.03378	32.1
144.03734	1.0
148.97345	0.5
153.01816	100.0
153.02930	12.3
153.05386	5.7
153.09073	13.8
153.11340	3.4
153.12723	2.1
154.02150	3.5
154.03258	0.6
154.05020	0.5
154.06174	0.3
154.08607	4.6
154.09703	1.2
154.13217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.7
51.02381	2.7
53.03934	1.0
55.01857	1.6
55.05502	4.6
56.05018	0.5
57.03423	1.1
57.07060	0.7
59.02717	0.5
59.04994	3.7
61.41461	0.4
65.03926	5.8
67.05161	0.5
67.05498	5.2
68.99792	0.5
69.03419	6.7
69.04537	0.6
69.07053	3.6
70.06558	0.8
70.94253	2.3
70.95857	0.7
71.04988	5.3
71.61633	0.7
71.94075	0.8
73.06532	2.2
75.04460	1.3
79.01844	30.1
79.05475	8.1
80.02176	0.5
81.03407	0.8
81.07047	13.7
82.07378	0.6
83.04966	4.4
83.06062	0.6
83.08576	0.9
85.07671	0.6
88.95267	0.7
91.05449	4.8
93.03381	3.2
93.07032	12.9
95.04954	21.8
95.06046	0.9
95.08614	2.3
97.02883	6.5
97.06517	3.9
105.06985	1.7
107.01300	8.0
107.04929	2.7
107.08584	15.8
108.01627	0.5
108.05602	0.6
109.06492	2.9
109.07621	0.8
109.10140	2.4
109.50905	0.5
110.03632	1.7
110.07232	0.7
111.04432	12.7
111.08064	42.8
111.96851	1.7
112.08470	1.0
112.37307	0.5
113.05846	0.6
117.06983	0.8
121.06443	2.4
123.00784	0.8
123.08028	0.6
123.71633	0.5
125.02343	15.2
125.05974	5.8
125.09612	22.1
125.10547	1.1
126.10064	0.5
129.97876	1.8
135.04419	0.6
135.08051	5.2
135.11670	4.2
136.07555	1.2
136.08585	0.7
136.37692	0.5
138.06688	0.6
143.03380	31.0
145.15265	0.5
148.97340	0.8
153.01816	100.0
153.02933	12.6
153.05402	5.8
153.09077	15.9
153.11162	2.3
153.12592	4.3
154.02136	3.3
154.04869	0.7
154.08585	3.6
154.09679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
51.02361	1.4
53.03933	2.9
55.01867	29.1
55.05508	11.0
57.03429	6.4
57.07072	1.2
57.37050	1.1
59.04993	30.5
65.03932	10.7
67.05495	17.2
68.99773	1.7
69.03080	1.0
69.03422	16.8
69.07059	8.2
69.83495	5.0
69.83912	2.0
70.94239	4.0
71.04971	4.5
71.94073	1.5
77.03925	1.3
78.35593	1.1
79.01852	7.7
79.05485	52.4
80.05800	1.3
81.07049	15.2
83.04972	17.3
83.08603	3.4
85.02822	1.3
91.05470	33.3
92.05776	1.0
93.03416	5.4
93.07031	25.8
95.04960	25.1
95.08601	14.3
97.02856	3.1
97.06540	6.8
97.10152	2.3
105.06378	1.5
105.07029	22.6
107.01292	2.1
107.04940	9.5
107.08584	100.0
108.05764	4.9
108.08909	2.8
109.06503	18.4
109.10164	5.5
110.03616	1.7
110.07052	1.0
111.04427	35.6
111.08067	23.7
111.96824	2.7
112.08676	1.2
115.05461	5.2
117.07008	9.1
119.06044	3.5
121.02879	1.5
121.06462	1.9
123.08056	54.4
125.02328	3.0
125.05973	5.3
125.09621	42.3
125.10543	2.3
126.69080	1.3
129.97859	1.9
133.07596	4.4
135.04462	5.2
135.08038	93.5
135.11644	5.9
135.60825	1.0
136.08472	3.4
138.03082	1.4
143.03391	9.6
153.00642	0.8
153.01825	24.5
153.02936	2.8
153.05452	5.3
153.09085	48.0
153.11330	2.8
153.12614	6.5
154.09518	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.7
51.02381	2.7
53.03934	1.0
55.01857	1.6
55.05502	4.6
56.05018	0.5
57.03423	1.1
57.07060	0.7
59.02717	0.5
59.04994	3.7
61.41461	0.4
65.03926	5.8
67.05161	0.5
67.05498	5.2
68.99792	0.5
69.03419	6.7
69.04537	0.6
69.07053	3.6
70.06558	0.8
70.94253	2.3
70.95857	0.7
71.04988	5.3
71.61633	0.7
71.94075	0.8
73.06532	2.2
75.04460	1.3
79.01844	30.1
79.05475	8.1
80.02176	0.5
81.03407	0.8
81.07047	13.7
82.07378	0.6
83.04966	4.4
83.06062	0.6
83.08576	0.9
85.07671	0.6
88.95267	0.7
91.05449	4.8
93.03381	3.2
93.07032	12.9
95.04954	21.8
95.06046	0.9
95.08614	2.3
97.02883	6.5
97.06517	3.9
105.06985	1.7
107.01300	8.0
107.04929	2.7
107.08584	15.8
108.01627	0.5
108.05602	0.6
109.06492	2.9
109.07621	0.8
109.10140	2.4
109.50905	0.5
110.03632	1.7
110.07232	0.7
111.04432	12.7
111.08064	42.8
111.96851	1.7
112.08470	1.0
112.37307	0.5
113.05846	0.6
117.06983	0.8
121.06443	2.4
123.00784	0.8
123.08028	0.6
123.71633	0.5
125.02343	15.2
125.05974	5.8
125.09612	22.1
125.10547	1.1
126.10064	0.5
129.97876	1.8
135.04419	0.6
135.08051	5.2
135.11670	4.2
136.07555	1.2
136.08585	0.7
136.37692	0.5
138.06688	0.6
143.03380	31.0
145.15265	0.5
148.97340	0.8
153.01816	100.0
153.02933	12.6
153.05402	5.8
153.09077	15.9
153.11162	2.3
153.12592	4.3
154.02136	3.3
154.04869	0.7
154.08585	3.6
154.09679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.8
51.02374	3.0
52.42205	0.4
53.00275	0.5
53.03929	0.9
55.01858	1.5
55.05502	3.1
56.05012	0.5
56.64437	0.4
57.03419	0.8
57.07061	0.5
58.06596	0.5
59.04985	1.8
60.10557	0.4
65.03926	4.7
67.05490	4.4
68.99786	0.6
69.03421	4.3
69.04553	0.7
69.07053	2.8
69.37543	3.9
70.06564	0.4
70.94229	1.7
71.04982	6.4
73.06544	3.8
75.04473	0.6
79.01840	32.1
79.05480	8.0
80.02145	0.8
81.07043	14.9
82.07389	0.5
83.04979	2.5
83.08590	0.9
84.08149	0.5
87.00811	0.4
91.05457	3.6
93.03398	2.2
93.07027	11.2
95.04948	14.9
95.06047	0.5
95.08588	1.9
97.02882	5.7
97.06516	2.5
105.07005	0.8
107.01302	8.5
107.04935	1.6
107.08579	12.4
109.06497	2.2
109.10117	2.1
110.03621	1.1
110.07217	1.0
111.04427	9.7
111.08062	23.5
111.96846	1.4
112.04842	0.4
112.08649	1.4
113.05812	0.6
114.48985	0.4
117.06904	0.4
121.06480	1.3
123.00793	0.4
123.04500	0.5
125.02334	15.8
125.05963	4.8
125.09607	11.5
129.97896	0.9
135.04416	0.4
135.08055	3.6
135.11674	5.1
136.07561	0.7
138.03078	0.6
138.06726	0.5
143.03369	31.2
144.03705	0.9
153.01810	100.0
153.02921	11.7
153.05305	3.8
153.09085	10.4
153.11325	1.8
153.12709	3.5
154.02124	2.9
154.08604	1.3
154.13062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.00296	1.0
53.03926	2.4
55.01868	10.0
55.05505	6.9
56.05015	1.1
56.05806	0.8
56.96557	62.9
57.03430	34.1
57.07062	1.2
58.03748	1.9
58.96143	1.2
58.99845	3.4
59.04992	5.0
60.04514	7.9
60.95841	2.2
60.99598	1.3
61.02915	11.4
61.04020	0.9
65.03931	5.2
67.01845	1.2
67.05491	4.5
68.02635	1.2
68.05817	1.1
68.98270	1.3
69.03419	30.5
69.07056	2.2
70.03738	2.6
70.04156	1.0
70.06566	0.8
70.98094	4.8
70.99830	2.0
71.01334	1.4
71.04993	6.6
71.95248	1.8
73.02547	1.2
73.02909	16.5
74.03226	2.7
74.06074	2.2
74.97572	3.7
75.01025	2.2
77.00865	6.1
78.52945	2.9
79.01838	8.4
79.02998	1.3
79.05483	5.4
80.00222	1.3
80.02959	1.0
80.04992	1.1
81.00987	1.6
81.01886	1.4
81.03416	9.6
81.05794	2.3
81.07050	1.8
82.01420	4.4
82.01845	1.3
82.02646	2.1
83.00791	4.7
83.01260	1.1
83.01458	1.2
83.04967	15.0
84.01131	1.7
84.05278	1.3
84.96023	2.0
85.01396	2.1
85.02145	1.5
85.02379	1.2
85.02889	16.5
86.03218	1.7
86.50391	0.8
86.99295	2.2
87.01879	1.9
87.03706	1.8
87.04432	2.4
87.53468	1.8
88.01796	4.8
88.02640	2.6
88.52381	0.9
88.99130	4.9
89.00761	5.1
89.03441	3.3
90.01534	3.7
90.02429	1.1
90.51701	2.1
91.02374	3.5
91.05447	2.1
91.53709	2.8
92.01253	2.0
92.03821	6.4
92.52676	3.7
92.53572	6.7
93.00999	1.5
93.01858	1.8
93.02773	2.1
93.03365	2.3
93.52550	3.1
93.53469	3.2
94.02636	5.0
94.06558	1.6
94.52719	2.7
94.54233	2.0
95.02491	1.7
95.03446	3.5
95.04939	3.5
95.53187	2.1
96.01524	3.3
96.02406	2.3
96.04285	1.3
96.08102	3.8
96.51730	1.3
97.00513	1.9
97.02306	4.3
97.02885	22.5
97.06503	2.1
97.52785	2.3
97.99182	4.4
98.01289	8.9
98.03211	2.2
98.03954	1.1
98.51431	2.3
98.97569	22.1
99.02031	2.3
99.02923	1.3
99.04433	3.6
99.53406	1.3
99.97900	2.8
100.02458	19.5
100.51557	5.0
100.52373	2.2
101.00861	9.7
101.01614	1.9
101.02530	8.4
101.03417	3.4
101.04302	2.6
101.50900	1.4
101.53185	2.5
101.54071	1.0
102.00941	1.4
102.01525	16.5
102.02297	9.2
102.04205	4.2
102.53064	1.9
102.53943	1.1
102.96844	1.7
103.02416	13.0
103.03168	3.6
103.03949	1.5
104.01273	3.1
104.03986	1.9
104.10720	1.0
104.52697	1.3
104.53672	0.9
105.00351	1.5
105.02052	2.6
105.53460	4.7
106.03550	13.3
106.05054	1.2
106.06552	4.7
106.53312	12.9
107.00105	1.3
107.01194	1.2
107.01801	3.6
107.03474	2.3
107.04917	1.4
107.08582	2.3
108.02435	1.7
108.04214	3.1
108.53137	1.9
108.53969	2.7
108.54853	1.4
109.02805	4.5
109.03506	1.9
109.04100	1.2
109.05075	1.5
109.52041	3.9
109.52961	1.1
110.01265	7.9
110.02134	4.1
110.03509	7.6
110.51418	7.2
110.97534	12.8
111.01391	1.7
111.02037	18.5
111.02911	5.6
111.04420	18.5
111.05515	1.7
111.53551	1.0
112.00894	2.1
112.02299	1.7
112.03072	1.0
113.00868	2.5
113.02615	1.2
113.03391	1.3
113.52309	4.0
113.53169	5.3
114.02451	1.8
114.03351	1.5
114.04089	7.5
114.53985	2.3
115.02422	14.1
115.04060	9.1
115.53807	6.2
116.00201	3.7
116.03955	2.0
116.98608	15.0
117.02114	2.8
117.02945	1.3
117.03974	15.3
117.04715	2.0
117.54313	1.8
117.98936	1.2
118.01034	4.2
118.02752	1.6
118.03503	17.8
119.00156	2.6
119.01884	37.0
119.02682	1.7
119.03532	6.1
119.51949	11.7
120.01848	2.7
120.02552	14.2
120.03349	4.4
120.52731	1.0
121.01651	6.4
121.03487	10.1
122.02251	2.1
122.52001	1.7
122.52828	7.1
122.53703	4.2
122.54541	1.6
123.02898	2.2
123.03827	1.5
123.04704	3.6
123.06763	2.2
124.02431	1.2
124.04621	6.8
124.07577	12.9
124.54353	3.2
125.02333	5.0
125.05956	3.5
126.02218	0.9
127.01501	1.5
127.03900	3.8
128.02322	8.5
128.04585	4.4
128.52472	10.9
128.98590	24.2
129.00305	2.5
129.02179	1.1
129.03058	6.5
129.03938	29.5
129.05396	1.9
129.08905	1.2
129.52637	1.0
129.97902	1.5
129.98866	1.9
130.01845	3.2
130.04108	1.6
131.01871	13.2
131.02722	2.2
131.04478	1.9
131.53334	5.5
131.54247	3.0
132.02000	1.3
132.03412	2.7
132.05084	4.4
133.01695	2.1
133.03458	17.9
133.05038	4.3
133.54913	2.7
134.02966	3.7
134.05998	100.0
134.99643	8.5
135.03137	5.9
135.05017	22.2
135.06331	2.5
136.04381	1.4
136.05266	1.5
137.02921	7.9
137.04709	3.6
137.05846	1.8
137.52975	3.2
138.03648	1.0
139.02505	1.3
139.53030	1.1
140.00200	2.2
140.03206	3.7
140.04956	20.1
140.53836	3.9
140.55005	5.8
141.03012	2.1
141.03932	3.0
141.04945	3.5
142.03476	7.0
143.00133	1.5
143.01866	11.2
143.03418	12.1
144.02025	1.5
144.03232	4.1
145.01723	1.4
145.03458	6.9
146.99620	29.6
147.01360	25.8
147.03241	5.9
147.05002	76.5
147.99948	1.6
148.01485	1.7
148.05128	3.6
149.01225	1.2
149.02841	2.2
149.03859	1.2
149.05519	1.7
150.03609	1.3
151.04480	2.3
151.55785	2.3
152.01675	3.4
152.05643	62.7
152.07025	33.7
152.08168	2.4
152.09102	1.5
152.10669	2.5
153.00754	1.0
153.01826	24.5
153.02905	2.3
153.04050	19.0
153.05457	3.3
153.09050	1.2
154.03494	2.7
155.01884	3.0
155.03618	2.2
156.03217	1.5
156.05025	1.6
157.03435	4.2
157.05173	1.0
158.01183	2.1
158.06636	1.2
158.99658	1.6
159.01416	1.4
159.05045	5.2
160.04546	3.5
161.01318	1.8
161.02928	15.7
161.04443	1.6
161.04674	1.4
162.03130	2.2
163.02736	1.8
163.04457	1.2
165.00679	4.3
165.02388	3.7
165.06078	15.7
166.06236	1.4
169.03387	1.9
170.01389	2.0
170.02922	15.2
170.05214	1.1
170.06534	5.6
171.03151	2.1
171.05013	4.3
173.02972	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	151.1479
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03934	0.6
55.05499	6.1
57.03436	0.5
57.07059	1.1
62.31284	0.3
65.03928	1.3
67.05493	81.7
68.05824	1.4
69.03406	0.4
69.07053	4.8
70.77752	1.0
79.05475	4.7
81.03405	0.5
81.07042	47.6
82.07353	0.5
83.08601	1.0
89.06007	0.3
91.05434	1.7
93.07034	4.4
95.04953	1.7
95.08591	100.0
96.08914	2.6
98.51254	0.4
99.51275	0.7
105.07024	1.8
107.08563	2.6
109.06473	1.6
109.10139	52.8
110.10468	0.7
123.04401	0.5
123.08062	1.9
123.11664	1.2
133.02922	0.3
133.06404	0.5
133.10081	1.2
151.03882	1.7
151.04929	0.4
151.07500	2.9
151.08553	0.5
151.11182	3.5
151.14795	13.8
152.01643	0.8
152.03297	0.4
152.07065	1.1
152.15163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
50.39221	0.4
53.03943	0.7
55.01868	0.4
55.05503	2.6
57.03444	0.4
57.07069	7.2
57.76564	0.3
65.03931	1.2
67.05499	15.3
67.05867	0.7
68.05032	0.3
68.95284	0.5
69.03420	0.8
69.07056	2.5
70.07576	0.7
70.07983	1.1
78.71371	0.3
78.84753	0.3
79.05482	7.5
81.03409	0.6
81.07047	100.0
82.07392	1.7
83.06096	0.4
83.08627	0.4
89.06010	0.8
91.05475	3.4
93.07032	5.0
95.04953	2.0
95.08595	24.9
100.21748	0.3
105.03399	0.4
105.07024	4.4
107.04948	0.4
107.08588	3.2
109.06524	2.5
109.10137	3.6
110.07120	1.0
111.04428	0.4
111.07942	2.2
119.04940	0.8
121.09319	0.3
121.10105	1.5
121.65732	0.3
122.07140	0.3
123.04445	1.3
123.08096	2.3
123.11695	76.4
124.08686	0.4
124.12032	2.7
124.74152	0.4
133.06473	0.6
133.10143	1.8
134.06030	0.5
136.05150	0.6
136.08702	0.4
151.02808	0.6
151.03922	5.7
151.05034	1.0
151.07533	5.9
151.09904	1.2
151.11163	27.9
151.14807	1.0
152.01620	1.3
152.07054	1.0
152.11533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0751
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
53.03919	0.7
55.01852	0.7
55.05493	0.9
57.03414	0.2
57.07036	0.3
59.04977	0.3
65.03921	1.2
67.05494	4.6
68.05003	0.4
68.16629	0.2
69.03408	1.6
69.07050	0.7
70.34669	1.0
70.35017	0.2
71.46832	0.2
79.05477	2.6
80.06265	1.1
81.03409	0.5
81.07043	5.7
83.04949	0.2
83.06077	0.4
89.06001	0.5
90.04685	0.4
91.05468	8.3
92.05776	0.3
93.07027	3.8
95.04948	2.7
95.08582	4.8
103.05422	0.5
105.07021	4.3
107.04948	2.0
107.08551	2.1
108.02081	0.3
108.05721	13.7
109.05911	0.2
109.06524	2.7
109.07632	0.3
109.10137	2.8
110.07126	1.6
111.05557	0.2
111.07933	2.4
117.67788	0.3
119.04906	3.4
121.06497	0.5
122.07236	0.4
123.04414	0.7
123.08054	3.1
123.11700	1.1
124.07669	0.3
124.08681	0.5
133.06454	0.7
133.10124	1.5
134.06012	0.3
134.07114	0.4
136.05173	19.1
137.02849	0.2
137.05699	0.4
141.05476	0.4
151.03987	4.9
151.07518	100.0
151.11098	8.9
151.14793	0.8
152.01686	0.3
152.07935	3.1
152.11581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0751
Annotation	(S)-(+)-2-Phenylpropionic acid
Peak:m/z	Relative Intensity
50.54230	0.5
51.02371	0.6
53.03935	3.6
55.01864	6.2
55.05506	8.1
56.05004	0.4
57.03421	2.2
57.07066	0.9
58.10491	0.5
59.04987	0.8
65.03926	5.3
67.05495	32.8
68.05021	1.8
68.05806	0.6
68.99783	1.7
69.03423	4.3
69.07057	2.2
70.06586	0.5
70.94183	1.2
71.01342	2.2
71.04974	0.9
77.03932	1.0
78.04678	0.6
79.05482	28.1
81.03402	3.4
81.07045	46.5
82.06570	0.7
82.07371	0.8
83.00797	0.5
83.04979	3.5
83.06097	0.7
89.06035	1.4
91.05474	17.3
93.04514	0.7
93.06452	1.1
93.07032	15.0
94.04186	0.9
95.01355	0.7
95.04957	12.5
95.08592	51.0
96.08977	1.2
97.06491	0.9
98.03562	0.5
98.97594	0.6
103.05467	4.5
105.03372	0.9
105.07015	100.0
106.06649	0.5
106.07344	2.2
107.04942	2.5
107.06064	0.6
107.08579	17.9
108.02102	2.6
108.05713	0.9
109.02861	2.1
109.06503	36.1
109.07670	1.4
109.10134	9.6
110.06061	0.8
110.07181	2.8
111.04416	1.2
111.05550	0.5
111.07952	5.6
115.05502	0.6
119.04932	2.3
121.06525	1.3
121.10094	0.8
123.04411	4.9
123.08051	31.0
123.11686	5.8
124.07574	1.1
124.08580	1.6
133.02821	0.7
133.06468	28.7
133.10104	4.4
134.05983	1.1
134.06984	1.2
136.05165	1.0
141.05432	3.5
151.02945	0.9
151.03879	31.3
151.05017	7.5
151.07521	32.7
151.09778	4.2
151.11154	13.9
151.14732	0.7
152.01642	1.8
152.04250	1.0
152.05916	0.8
152.06906	2.6
152.08078	1.3
152.11697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.69884	1.0
52.53205	1.0
53.03933	2.1
55.01851	1.7
55.05496	4.5
55.30304	1.1
55.75363	1.1
57.07048	3.2
60.83365	1.1
65.03598	1.6
65.03928	22.8
67.05480	1.8
69.07044	5.2
69.69051	3.3
69.69473	5.2
78.04677	1.3
79.05489	10.0
81.07039	5.0
91.05468	16.3
93.03403	6.6
93.07028	26.2
95.04947	4.5
95.08611	1.9
98.03667	2.4
98.20726	1.6
100.93046	1.3
103.05473	5.8
105.07025	23.4
106.04138	1.7
107.07859	2.1
107.08582	39.7
109.06488	2.9
110.84940	1.0
111.04419	5.1
119.08566	7.3
120.09375	1.7
121.02852	34.4
121.03953	5.2
121.06497	8.5
121.10130	100.0
122.03165	1.4
122.10462	4.1
123.08020	6.0
131.04918	2.1
131.08549	3.1
133.07594	1.9
133.10123	2.6
149.02328	88.8
149.05983	5.9
149.06996	1.5
149.08463	1.9
149.09610	15.4
149.12172	1.0
149.13231	24.7
150.02658	3.9
150.10181	1.7
151.78439	1.2
167.03467	2.2
169.03441	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	149.1323
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03926	1.2
55.01857	1.6
55.05490	4.1
65.03934	26.5
67.05491	12.9
69.07056	7.8
69.46624	5.7
69.47041	1.8
74.12762	0.8
79.05054	1.9
79.05482	20.2
81.07044	37.5
83.08593	2.0
91.05473	11.7
93.03392	6.3
93.07033	43.4
94.06517	0.9
94.07384	1.6
95.04960	2.7
95.08590	7.2
98.03662	2.0
103.05436	2.5
105.07019	5.2
107.04980	2.1
107.08583	31.1
111.04432	4.8
116.04061	0.8
121.02851	36.9
121.03954	9.4
121.06490	2.9
121.10130	15.6
121.10924	1.7
122.03152	1.6
122.07082	1.0
131.04898	2.2
131.08569	2.0
149.02325	100.0
149.05980	5.5
149.07050	1.6
149.09599	9.2
149.13234	38.1
150.02661	6.6
150.03703	1.8
150.05443	2.4
150.06548	1.1
167.03360	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	149.1323
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.03923	3.1
55.01853	2.4
55.05507	9.0
57.07062	1.9
65.03931	22.1
66.04262	1.4
67.05503	5.7
69.03371	1.3
69.07059	11.7
73.00039	1.0
75.09826	0.9
77.03913	1.2
79.05483	28.1
81.07050	23.7
83.08597	1.7
91.04965	1.5
91.05479	20.2
93.03397	10.3
93.07032	79.5
94.07351	1.5
95.04951	6.2
95.08593	5.9
98.03647	1.1
103.05461	4.6
105.07017	8.1
106.04144	1.6
107.04949	1.7
107.08584	54.0
108.08877	2.1
109.06492	2.2
111.04459	6.0
119.06081	1.3
119.08507	1.1
121.01980	2.2
121.02852	40.5
121.03951	8.5
121.06494	5.2
121.10127	21.0
131.04903	2.7
149.02330	100.0
149.05974	6.4
149.07057	2.1
149.08328	1.8
149.09586	13.2
149.13248	35.3
150.02701	5.5
150.13646	1.7
166.57581	1.0
167.03343	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03939	6.1
55.01854	3.4
55.05493	5.8
57.03415	1.2
63.27177	1.3
64.64776	1.1
65.03926	20.0
67.05489	1.8
69.03418	1.8
69.07060	6.8
71.53484	2.0
73.61845	1.1
79.05482	20.0
81.07027	7.0
87.67525	1.2
91.05470	34.9
92.06280	1.3
93.03395	5.0
93.07032	66.7
94.07354	1.6
95.04967	7.9
95.08613	2.1
98.03634	1.3
103.05457	16.3
105.04485	1.6
105.07021	25.2
106.04157	2.5
106.07826	2.7
107.04284	1.8
107.04953	27.3
107.08578	36.0
108.08913	1.4
109.06483	2.8
110.08399	2.3
111.04420	5.5
116.06230	2.9
119.08562	6.4
121.02850	26.8
121.03949	6.9
121.06483	25.9
121.10123	37.3
122.03178	1.8
122.07104	2.3
122.95156	1.2
123.08032	3.6
129.06999	1.7
131.04915	9.1
131.08557	9.9
133.07622	1.6
133.10136	2.2
134.07159	1.3
147.63191	1.2
149.02322	70.6
149.05956	30.2
149.09599	100.0
149.13223	15.3
150.02643	2.5
150.10022	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	149.0958
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.11631	0.6
53.03928	1.9
55.01854	2.7
55.05505	4.5
63.08645	0.6
65.03603	0.8
65.03927	8.1
69.03413	5.0
71.21396	1.5
79.05477	9.4
81.07036	2.3
91.05466	35.6
92.05783	0.7
93.03395	2.6
93.06464	1.1
93.07032	18.9
95.04947	2.8
103.05466	4.0
105.07017	25.7
106.04123	0.8
106.07822	1.4
106.30184	0.6
107.04932	18.9
107.08564	3.6
109.06515	3.6
111.04424	1.4
115.05447	5.0
116.06226	14.7
119.07813	0.7
119.08531	4.9
121.02843	10.1
121.03945	2.4
121.06489	14.7
121.10122	31.0
123.08080	4.7
128.06190	1.3
129.06985	6.3
131.04997	1.1
131.08548	24.1
132.08878	0.7
133.06551	1.3
133.07585	2.2
134.07271	5.3
147.08052	2.9
149.01123	1.5
149.02321	31.7
149.09596	100.0
150.02634	1.2
150.09976	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	149.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.5
55.01859	2.1
55.05494	3.8
55.64911	1.2
57.03425	2.5
57.68869	1.2
65.03931	6.7
67.05473	1.8
68.02419	1.1
69.03416	4.0
69.79915	3.8
69.80344	3.6
73.33690	1.0
74.69913	1.2
75.27937	1.0
77.03902	1.5
79.05483	20.0
81.07044	3.2
91.05465	38.5
92.05775	1.4
93.03407	1.3
93.07034	72.5
94.07348	3.2
95.04955	6.9
98.21446	2.3
103.05457	5.9
105.04504	1.9
105.07018	34.4
106.07836	2.5
107.04958	12.3
107.08577	11.3
109.06497	2.1
111.04479	1.7
116.06230	6.0
119.08570	5.8
121.02857	13.3
121.03782	2.0
121.03913	1.8
121.06488	20.9
121.10132	34.6
122.10435	1.5
123.08086	3.1
129.07011	2.7
131.08557	25.7
133.07639	2.5
134.07227	2.3
149.02327	32.3
149.03465	2.5
149.05968	2.8
149.09604	100.0
150.02573	1.4
150.09998	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	149.0959
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03935	2.2
55.01865	1.9
55.05495	1.8
60.80148	0.9
62.20628	0.8
65.03930	4.2
65.61769	0.8
67.05515	1.0
69.03418	2.9
71.52113	0.9
73.47429	0.8
79.05484	11.9
81.07058	1.0
83.04967	0.9
91.05471	34.7
92.05782	0.8
93.03400	1.3
93.06459	1.3
93.07035	19.7
95.04941	2.7
101.54441	0.9
103.05456	5.5
105.07017	28.3
105.98540	0.9
106.07800	3.1
107.04985	1.9
107.08566	1.6
109.06523	4.4
111.04316	0.9
115.05433	5.2
116.06225	14.6
119.08563	4.9
121.02859	5.3
121.03948	1.6
121.06498	13.4
121.10125	32.8
123.08051	5.6
128.06212	0.9
129.06999	5.9
131.08549	22.6
133.06471	1.1
133.07561	1.7
134.07268	3.1
134.38817	0.9
147.08029	3.7
149.02322	14.0
149.09599	100.0
150.09943	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	148.0604
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
50.09802	0.2
53.25579	0.2
56.04774	0.4
56.05029	4.5
56.96555	0.3
70.22770	1.1
82.30253	0.2
84.04495	100.0
85.02888	2.1
85.04817	1.8
85.08461	0.6
87.42742	0.2
87.59138	0.2
100.02493	0.7
101.00853	0.3
102.05531	22.5
103.05867	0.3
118.03541	0.5
119.01923	0.8
119.53591	0.2
121.01680	0.3
121.02831	0.5
130.04990	16.4
131.05336	0.4
132.50990	0.2
148.03871	0.3
148.06032	3.7
149.02333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0755
Annotation	3-Methyloxindole
Peak:m/z	Relative Intensity
50.53273	0.5
53.03933	2.0
55.01855	0.7
57.78528	0.4
60.02769	0.4
60.04516	0.5
65.03931	8.0
67.05500	0.5
69.85465	2.5
72.04488	0.4
77.03886	0.5
79.05053	0.7
79.05481	8.7
80.05005	0.7
84.04476	2.3
85.04042	0.4
91.05467	4.4
92.04971	0.9
92.05791	1.8
93.03397	2.9
93.07026	4.2
94.06578	0.7
95.04941	2.7
98.21436	0.5
102.05504	1.1
103.05459	4.0
105.04505	1.0
105.06993	2.2
106.06537	3.0
106.07291	0.8
107.04936	100.0
107.08576	1.3
108.05265	2.7
108.06862	0.6
111.04431	2.4
111.63160	0.5
118.06525	0.4
119.04912	0.5
120.04394	1.2
120.05284	2.0
120.08078	3.1
120.08897	1.3
121.02840	14.5
121.03946	3.7
121.06502	3.6
121.07597	1.9
121.10143	1.9
122.07145	0.6
130.02887	0.6
130.04996	0.5
130.06532	2.7
131.04907	4.6
131.08525	0.6
133.05217	0.9
135.85455	0.4
137.28922	0.5
139.71074	0.4
148.03816	4.2
148.04941	1.7
148.07549	86.5
148.08563	3.4
148.11029	3.1
149.02324	37.7
149.06012	4.8
149.07997	3.3
149.09544	4.3
149.13275	0.9
164.09048	0.4
167.03395	0.7
169.03409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1165
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05503	5.8
64.51174	0.8
65.03925	1.5
67.05484	1.2
68.94239	0.8
69.07056	2.2
69.58054	2.5
69.58469	3.4
79.05500	4.1
91.04885	1.7
91.05463	35.4
92.05818	1.2
93.07024	2.7
103.05429	1.6
104.06220	0.8
105.07015	40.7
106.07327	2.1
107.04932	1.0
107.08575	10.1
115.05405	0.9
116.06201	1.3
117.07001	10.6
119.04922	15.1
119.08559	100.0
120.08912	3.0
121.10169	1.0
129.06947	1.0
130.07713	1.1
131.08543	1.8
132.05652	1.4
132.09317	5.9
132.76971	0.8
145.10114	7.8
147.04387	11.3
147.08022	8.1
147.11662	71.2
148.02437	0.7
148.04755	0.9
148.12006	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	147.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.8
64.51174	0.8
65.03925	1.5
67.05484	1.2
68.94239	0.8
69.07056	2.2
69.58054	2.5
69.58469	3.4
79.05500	4.1
91.04885	1.7
91.05463	35.4
92.05818	1.2
93.07024	2.7
103.05429	1.6
104.06220	0.8
105.07015	40.7
106.07327	2.1
107.04932	1.0
107.08575	10.1
115.05405	0.9
116.06201	1.3
117.07001	10.6
119.04922	15.1
119.08559	100.0
120.08912	3.0
121.10169	1.0
129.06947	1.0
130.07713	1.1
131.08543	1.8
132.05652	1.4
132.09317	5.9
132.76971	0.8
145.10114	7.8
147.04387	11.3
147.08022	8.1
147.11662	71.2
148.02437	0.7
148.04755	0.9
148.12006	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	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03947	0.8
55.05511	4.7
65.03925	1.6
67.05495	1.0
69.07045	1.7
71.53621	1.0
71.53957	0.6
75.56532	0.7
79.05499	4.2
81.07034	1.1
84.04510	0.6
91.05472	31.4
92.05799	1.0
93.07050	1.6
103.05449	3.0
105.07020	43.2
106.07349	1.8
107.04948	1.3
107.08581	10.8
115.05431	1.7
116.06206	1.0
117.07000	10.5
119.04943	8.8
119.08566	100.0
120.08891	3.9
123.96422	0.8
130.07750	0.9
131.08514	1.2
132.05743	1.2
132.09331	6.9
145.10141	6.4
147.04391	14.8
147.05499	1.3
147.08041	8.7
147.11671	79.4
148.07474	0.8
148.12033	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	147.0437
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.97327	0.9
58.71482	0.9
63.06752	1.0
64.92793	7.1
65.03919	6.5
68.54428	1.0
69.03425	2.1
69.76176	1.0
71.61919	1.2
71.62284	1.1
84.04476	2.9
85.02895	1.2
91.05470	83.7
92.05807	1.9
101.07913	2.3
103.05472	1.7
105.07021	10.6
107.04960	1.6
117.07008	2.5
117.81740	1.0
119.04926	100.0
119.08573	13.3
120.05241	4.6
123.96435	13.2
129.06972	1.4
130.04874	1.2
130.07715	1.0
146.98013	3.0
147.04399	77.6
147.05479	6.9
147.08073	4.5
147.09198	1.4
147.11665	11.0
148.03786	1.7
148.04774	3.0
148.07509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0763
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
55.01872	0.3
55.05497	1.1
56.05026	3.5
57.03425	1.6
69.03409	1.9
69.52006	0.8
69.52422	1.8
71.04984	0.9
73.02905	0.6
81.01909	0.3
83.04970	1.8
83.06899	0.5
84.04492	100.0
84.08127	6.1
85.02892	2.8
85.04825	0.7
85.06532	0.8
87.04448	1.0
88.04824	0.6
91.05470	1.1
94.02670	1.0
95.01270	0.4
97.02913	0.4
100.02499	1.2
101.00945	0.4
101.01729	1.1
101.07134	3.1
101.07938	1.4
102.04229	0.6
102.05530	9.0
103.02457	0.4
103.03157	0.5
107.03431	1.6
111.04456	0.9
112.07455	0.4
114.31883	0.3
115.05006	0.5
115.54923	0.4
116.03958	3.5
116.54057	0.5
118.03539	0.4
119.01926	0.7
119.04919	1.4
120.04228	0.6
129.04703	0.5
130.04984	36.9
130.08656	1.4
131.05321	0.9
133.03441	0.6
135.05017	0.5
137.56154	0.4
145.03523	0.3
147.05080	3.8
147.07622	1.4
147.08612	0.6
147.09555	0.7
148.05086	0.5
148.06137	0.8
161.02994	0.4
165.06093	1.7
166.06310	0.6
169.03511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46593	1.0
51.96988	1.0
53.03909	2.0
55.01847	1.7
55.05505	10.5
60.07516	1.1
65.03915	3.4
66.12807	1.2
67.05489	2.2
69.07048	5.0
71.08331	1.5
71.08648	1.8
75.41214	1.0
79.05465	6.7
80.96891	1.0
81.06998	1.2
84.04482	2.1
91.05467	66.8
92.05785	2.8
92.38020	1.0
93.07046	3.3
95.04954	1.9
103.05453	3.4
105.07016	75.4
106.07340	2.8
107.04934	2.5
107.08567	9.7
109.44556	1.1
115.05437	1.3
115.26400	1.2
117.07012	11.7
119.04920	54.0
119.08562	100.0
120.08900	3.0
121.10149	2.0
123.96411	1.8
127.66969	1.0
129.06917	2.7
131.08574	2.4
132.09309	5.6
145.10106	10.7
146.31726	1.1
147.04396	39.9
147.05490	2.9
147.08011	9.8
147.09103	2.3
147.11664	90.6
148.04861	1.9
148.07550	2.8
148.11992	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	147.0434
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.55108	0.6
55.05492	0.7
64.92793	3.4
65.03935	5.5
69.03430	1.3
69.63716	0.6
71.07001	1.8
74.49604	0.7
79.05486	1.4
82.01397	0.7
84.04478	1.3
85.02877	0.8
91.05468	82.8
92.05800	2.4
95.04941	0.8
103.05428	0.7
105.07014	10.5
106.16899	0.6
107.04913	1.3
117.07008	1.3
119.04922	100.0
119.08559	9.4
120.04470	0.8
120.05272	2.6
121.75139	0.7
121.76636	0.8
123.96447	7.8
146.98022	1.0
147.04390	61.0
147.05412	3.3
147.08049	3.9
147.09082	1.3
147.11668	9.3
147.37868	0.7
148.04778	2.3
148.07568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0436
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.95552	0.6
55.05484	1.0
63.46120	0.5
64.92812	2.7
65.03928	6.2
69.82884	1.3
69.83291	2.2
80.83704	0.5
84.04484	1.3
85.02895	0.6
91.05468	78.0
92.05797	2.6
93.83121	0.5
102.05514	0.8
105.07018	5.6
107.08547	0.6
117.06975	1.0
119.04923	100.0
119.08550	7.3
120.05262	4.5
123.96426	4.5
143.94637	0.5
147.04393	68.7
147.08000	2.7
147.11671	5.3
148.04739	1.8
160.65045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
57.94633	0.8
59.58793	0.6
59.87990	0.7
64.92789	1.7
65.03938	5.9
67.98597	0.6
69.12000	0.6
70.28461	2.9
79.05480	0.9
83.54977	0.6
84.04503	1.3
85.87580	0.6
91.05468	74.6
92.05795	1.5
103.05472	1.1
104.64796	0.6
105.07017	7.6
107.04906	1.3
108.18052	0.6
110.23158	0.7
117.07016	1.5
119.04926	100.0
119.08559	9.2
119.96124	0.6
120.05257	3.1
123.96455	4.9
139.11629	0.7
147.04393	62.1
147.05414	3.0
147.08029	2.8
147.09102	0.9
147.11673	7.5
148.03758	0.8
148.04802	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0437
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03911	0.6
55.05496	2.4
55.19403	0.6
64.92789	1.4
64.93501	0.5
65.03936	5.7
67.05493	1.0
69.07039	1.0
69.95374	0.6
71.06971	1.8
79.05501	1.8
84.04507	0.8
87.39723	0.6
91.05470	87.9
92.05807	2.1
93.07009	0.8
95.04967	0.6
103.05464	0.5
105.07017	21.3
114.61050	0.6
117.07009	1.9
117.44327	0.6
119.04930	100.0
119.08565	23.2
120.05244	3.3
123.96436	2.7
130.69733	0.6
143.12645	0.6
145.10100	1.1
147.04395	67.1
147.05339	2.5
147.08000	3.4
147.11674	17.7
148.04790	3.0
148.07562	1.2
148.11932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0437
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.01851	0.7
55.05490	2.6
58.15611	0.7
58.18061	0.7
63.62206	0.7
64.92776	1.0
65.03924	6.2
67.05499	1.3
69.03402	0.8
69.07065	1.2
69.08115	0.8
71.62057	0.9
79.05476	2.6
84.04472	1.0
89.85927	0.7
91.05470	89.0
92.05793	2.8
93.07035	1.5
95.04969	1.0
103.05446	2.6
105.07014	30.5
106.07353	0.7
107.04924	1.9
107.08572	1.8
115.37608	0.7
117.06998	2.8
117.24105	0.7
117.34109	0.7
119.04926	100.0
119.08566	33.7
120.05280	3.3
120.08899	1.0
123.96448	1.9
129.07008	1.0
132.09293	0.8
145.10104	2.1
147.04391	70.9
147.05373	2.7
147.08025	5.1
147.09100	1.3
147.11671	28.3
148.04744	2.4
148.07544	1.6
148.12057	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0923
Annotation	4-Guanidinobutanoate
Peak:m/z	Relative Intensity
53.03942	0.8
55.01876	0.7
55.05515	2.5
56.05033	2.9
57.03428	3.8
57.36957	0.7
60.05643	21.6
61.02931	0.7
68.05016	0.9
68.50086	0.9
69.03414	8.7
70.14023	3.6
71.04987	1.6
73.02898	2.4
74.02450	0.8
81.03429	0.9
82.06570	14.1
83.03452	1.7
83.04971	2.5
83.06092	2.4
84.04494	42.9
84.08129	3.8
85.02892	3.0
86.06058	77.6
87.04456	100.0
88.04797	1.9
94.02645	2.0
95.03423	1.6
97.02888	2.6
99.04449	1.7
100.02494	1.0
100.07604	46.6
101.01711	1.1
101.03448	2.0
101.07110	2.2
101.07865	0.6
102.02388	1.0
102.04218	1.3
102.05519	1.4
103.03181	0.9
104.03967	1.2
104.07095	20.7
107.03408	1.7
108.04189	1.3
108.13457	0.7
109.04982	1.1
110.03953	1.5
111.05558	11.1
113.66382	0.8
115.02405	1.1
115.05001	0.6
116.03906	2.3
117.03997	1.0
119.01908	3.4
119.04887	1.1
120.04185	1.3
121.01718	0.7
128.07181	1.4
128.08174	14.5
128.10698	0.9
129.06577	4.7
130.04991	18.5
135.04993	0.7
145.03401	0.7
146.08073	20.1
146.09201	88.9
146.11630	2.0
147.04074	0.7
147.05022	11.8
147.09535	1.8
148.05075	0.8
159.01448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55164	0.4
53.03939	1.1
53.04174	0.5
55.01846	0.7
57.03406	0.7
59.06095	0.7
61.02922	0.5
62.92985	0.6
64.51977	0.4
66.27572	0.4
67.05490	1.3
69.03410	1.8
69.93406	3.2
71.01331	0.5
71.04978	11.7
71.53900	0.5
76.29719	0.4
81.03400	1.7
82.06533	0.6
84.04445	0.5
85.02876	1.7
85.06514	1.7
91.05469	7.6
92.05796	0.6
97.02867	1.5
99.04438	6.7
100.07582	1.3
103.05444	1.8
105.07013	36.8
106.07336	0.9
115.05424	4.0
116.06207	0.7
117.06992	15.8
118.07377	0.8
118.21796	0.5
121.96589	1.6
127.03873	2.3
128.06186	3.7
129.06979	6.3
130.07765	32.6
131.08096	1.6
143.08531	6.4
145.04958	1.6
145.06441	1.7
145.10095	100.0
146.01807	0.6
146.05995	0.6
146.10442	4.2
147.08038	0.8
150.18758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01862	3.4
57.03412	5.7
57.05807	3.0
59.06115	2.6
61.02910	2.8
62.92975	4.1
67.05500	3.7
69.03414	10.5
69.83855	15.7
70.06557	3.3
71.04984	100.0
81.03402	8.3
82.06548	4.9
85.02903	14.4
85.04015	5.6
85.06529	21.7
85.07622	2.3
86.06034	5.4
91.05464	11.9
97.02880	6.7
98.21437	2.4
99.04437	53.9
99.05473	2.4
100.04767	2.6
100.07590	10.3
105.07001	27.0
113.05965	3.0
115.03928	3.1
115.05430	10.0
115.60105	2.4
117.07003	16.4
121.96621	8.9
127.03905	13.6
127.07543	5.6
129.06969	3.1
130.07788	17.0
145.03844	2.5
145.04985	7.3
145.06467	10.8
145.07513	4.6
145.10109	75.2
146.05978	7.8
146.08089	3.7
146.10443	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	145.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01858	7.0
57.03425	5.2
57.05790	2.9
59.06105	4.4
61.02916	5.8
62.92989	5.8
69.03426	16.4
71.01365	2.8
71.04983	100.0
71.41356	4.2
75.52647	2.3
81.03394	10.1
82.06567	6.1
84.04492	3.6
85.02895	32.3
85.03999	3.4
85.06078	2.6
85.06527	18.1
91.05466	9.8
97.02895	11.2
99.04433	62.3
100.07621	7.1
105.07017	18.7
109.02824	4.3
115.05441	11.0
117.07005	21.8
118.06509	3.0
121.96657	15.3
127.03900	15.7
127.07566	5.7
130.07747	16.3
143.08589	4.3
145.04991	9.6
145.06459	20.2
145.08528	4.2
145.10101	49.1
146.06032	5.6
146.08157	3.0
155.06009	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	145.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97058	1.1
53.03931	3.5
54.57888	1.2
55.01875	1.7
57.03423	3.9
57.05794	1.4
59.06098	2.4
62.92969	5.5
67.05503	1.5
69.03417	9.0
69.84248	8.2
71.04984	42.0
72.04505	1.8
81.03407	5.7
82.06540	2.5
85.02882	10.1
85.03995	1.6
85.06529	6.2
86.06042	1.6
86.92196	1.2
89.03925	1.3
91.05471	9.7
97.02884	4.1
99.04445	26.9
100.07607	8.1
103.05473	1.6
105.07017	37.3
115.05424	7.0
117.07005	22.3
118.06546	1.7
121.96619	12.6
127.03909	5.9
127.07548	2.6
127.11029	1.3
128.06198	3.7
128.07082	2.9
129.06972	5.1
130.07770	30.2
142.79088	1.2
143.08530	7.2
144.98149	1.7
145.03918	1.6
145.04849	7.2
145.06488	8.0
145.07549	2.8
145.08411	4.1
145.10106	100.0
146.05988	9.3
146.10454	5.6
155.06018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96061	2.1
53.03925	10.6
55.01857	7.1
55.78705	2.4
57.03409	9.3
59.06096	3.4
59.67466	2.4
61.02908	5.6
62.92969	8.1
67.05477	2.4
69.03419	26.3
70.06591	3.0
70.99848	5.3
71.04986	100.0
72.04459	2.4
81.03410	16.9
82.06570	4.8
83.01317	3.7
85.02896	42.2
85.04006	6.5
85.06541	21.5
86.06057	4.7
87.04463	2.8
91.05458	12.0
97.02867	21.5
99.04441	91.7
100.07617	11.6
104.07072	2.4
105.07014	16.0
109.02895	2.9
113.06014	4.2
115.05463	6.1
117.07005	17.4
118.06514	5.9
121.96630	18.7
127.03904	23.3
127.07540	6.5
129.06958	2.3
130.07758	14.1
142.27509	2.5
143.08618	3.9
145.03877	3.7
145.04938	21.8
145.06563	15.6
145.07535	3.6
145.08456	7.0
145.10065	47.7
146.01799	5.3
146.06078	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	145.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.5
55.01863	5.1
55.05489	3.3
57.03420	6.1
59.06117	3.3
61.02920	3.0
62.51928	2.1
62.92975	5.3
67.05492	5.3
69.03438	16.6
71.01334	3.5
71.04987	100.0
71.35267	4.4
74.64646	2.4
75.63429	1.9
81.03396	10.5
82.06574	4.8
85.02903	21.9
85.06538	20.2
86.06044	3.4
91.05464	10.4
97.02880	10.3
99.03828	4.2
99.04449	70.3
100.07600	14.4
103.05455	3.0
105.07014	41.6
110.53601	2.4
113.06009	2.6
115.03882	2.8
115.05419	11.9
117.06995	26.1
118.06564	4.3
121.96612	12.9
127.03914	20.5
127.07574	3.5
127.11233	3.5
128.06221	3.2
129.06972	8.1
130.07777	31.8
143.08551	6.2
145.04890	12.7
145.06471	18.2
145.10109	98.1
146.06036	13.8
146.08134	4.3
146.10466	3.4
153.21288	3.0
155.06032	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	142.0861
Annotation	Arecaidine
Peak:m/z	Relative Intensity
55.05499	2.3
56.05026	2.1
56.96537	1.3
57.03426	10.9
58.06585	3.5
59.06105	2.3
60.04514	1.5
67.05489	1.8
68.05017	5.3
69.03422	3.4
69.07063	6.4
69.64098	6.9
70.06592	4.7
71.04962	1.0
79.05477	11.9
80.05025	1.9
81.05781	3.6
81.07043	15.6
82.02930	19.5
82.06566	3.8
83.03711	10.2
83.04954	2.0
83.06074	1.6
84.04491	1.9
85.07631	1.3
86.06057	27.8
94.06567	2.8
95.03670	1.1
95.04940	4.2
96.04475	42.9
96.08117	28.6
96.09834	1.0
96.43090	0.9
97.02862	2.1
97.06519	7.6
97.08463	1.2
98.06044	1.0
101.07066	1.0
106.06544	3.8
107.04941	3.1
109.05228	1.2
111.06808	2.7
112.06810	1.8
112.07593	37.5
113.07970	1.1
116.98618	0.8
124.07574	100.0
125.02345	2.9
125.05943	2.3
125.07082	1.3
125.07917	3.4
128.98586	0.9
142.08621	64.1
142.09702	5.6
143.03372	14.5
143.07970	1.2
143.08984	2.4
161.96587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1065
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
52.79821	1.3
55.01864	2.6
55.05506	19.3
57.03424	1.7
57.06819	1.6
57.07070	14.9
59.04986	6.6
59.06113	1.5
60.04517	1.6
65.03923	2.7
66.05257	1.7
67.05481	7.1
67.65585	1.4
69.03428	12.8
69.07059	5.6
70.06569	2.3
71.04986	90.9
71.20991	1.7
71.21329	3.5
72.04496	1.9
73.06543	12.2
78.27641	1.5
79.05480	6.0
81.07034	5.5
83.04967	10.2
83.08616	9.9
85.02890	7.3
85.06537	42.3
91.05428	2.3
97.02877	12.5
97.06507	4.4
97.10155	17.8
98.06057	3.9
101.07088	1.6
102.06597	2.0
105.06985	2.0
107.08578	30.4
113.64219	1.7
115.05409	3.1
125.02351	17.9
125.05904	1.7
125.09612	20.7
128.06206	7.6
136.10837	1.7
142.66823	1.5
143.03380	100.0
143.08514	3.9
143.10660	9.2
144.06529	5.3
144.13817	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30493	2.5
56.81010	2.7
56.96557	14.7
57.03421	6.5
66.52354	2.5
69.03428	4.9
70.16489	13.4
70.34129	2.6
82.01429	3.8
88.01787	4.8
97.02323	3.3
98.21041	5.4
98.97578	10.6
100.02471	6.0
100.79999	3.1
101.00877	25.5
102.01533	10.4
109.52014	2.5
110.97543	3.1
111.02062	6.0
113.52303	2.8
113.53101	3.7
116.98598	4.8
118.03534	3.9
119.01906	100.0
120.02610	4.2
124.02519	4.1
125.02336	3.4
125.81438	2.8
128.98560	3.4
131.02002	3.0
136.04617	3.8
137.02940	33.0
142.02348	4.5
142.03477	43.5
143.03439	5.0
160.04555	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00253	4.1
85.41051	2.0
97.65005	2.0
100.02435	3.4
101.00861	16.7
118.03480	3.0
119.01898	100.0
120.02006	4.0
124.02399	2.8
137.02931	33.0
142.03471	48.2
143.03519	3.0
154.04924	2.0
160.04478	14.7
161.04614	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66312	1.2
55.01848	3.7
55.05493	2.4
55.77146	1.1
56.11023	1.1
56.96556	8.3
57.03424	11.4
58.99865	3.4
61.02908	5.4
66.79867	1.2
68.02633	1.2
68.52708	1.2
69.03430	8.7
69.38824	1.0
70.06584	2.5
70.99857	1.1
71.01319	1.5
71.04976	1.3
71.60835	2.0
73.02904	11.3
77.00894	3.5
78.52950	5.9
79.51902	3.3
81.01880	4.5
81.03397	3.8
81.04528	22.3
82.01416	4.4
82.06590	1.3
82.99824	1.6
83.04967	2.2
84.52927	2.2
85.02899	8.4
85.53698	2.5
86.03658	1.3
86.52648	1.8
87.01868	1.7
87.53483	1.6
88.02670	9.9
88.12938	1.1
89.00877	1.8
90.02406	4.7
90.52944	2.4
92.52677	3.7
93.01869	4.3
93.53449	4.8
95.06084	10.3
95.53199	2.4
96.02398	4.1
96.08107	3.8
97.02309	2.2
97.02876	6.9
97.07629	1.7
98.52686	5.7
98.97575	5.2
99.53440	6.7
100.02479	21.8
100.52418	1.4
101.00870	26.1
102.01620	2.4
102.02390	11.4
102.53980	2.0
104.52648	4.5
104.53293	1.4
107.53185	1.5
109.02840	3.6
110.05933	1.5
111.02125	2.8
111.02908	11.1
111.04367	1.2
113.00855	1.9
113.52402	2.0
113.53191	9.6
115.02422	1.6
115.03945	1.2
116.39897	1.4
116.98646	2.4
118.01139	2.8
118.03526	13.5
119.01906	100.0
120.02641	2.1
120.03411	4.0
122.53686	9.8
124.02422	5.3
124.05088	6.2
124.05860	1.5
124.07561	1.2
125.02330	2.2
125.07091	14.7
127.03910	2.7
128.98589	2.1
131.01910	9.3
131.54236	2.6
133.03452	2.5
133.66907	1.1
134.99699	1.6
137.02943	31.0
138.03030	1.3
141.02631	2.2
142.03482	41.4
142.04611	2.3
142.05937	2.0
142.08600	3.6
143.01942	6.2
143.03389	7.4
143.08141	11.7
145.03543	2.0
146.99593	1.3
147.01340	1.6
149.02930	1.8
154.03490	5.4
155.01900	2.4
157.03383	1.7
160.04559	10.9
161.02966	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01910	1.4
53.03933	2.2
53.41881	1.2
54.03464	12.7
55.01841	2.3
55.05509	2.3
56.03762	5.1
56.05030	51.3
56.96556	7.9
57.01781	1.3
57.04538	4.7
57.93548	3.2
58.02937	3.6
58.06575	4.0
59.03709	1.7
59.06114	12.3
59.12796	1.4
60.04501	3.8
65.03914	1.6
67.02985	6.5
67.05497	28.5
68.05036	9.5
69.03069	2.4
69.03419	33.1
69.04523	4.7
69.07056	23.7
70.02933	1.6
70.06591	8.1
71.04979	2.3
71.06107	10.8
71.07005	3.6
72.04497	3.9
72.08131	3.1
81.04520	17.5
81.07027	3.5
82.02912	8.8
82.05314	3.0
82.06554	4.1
83.06091	30.4
84.04500	17.1
84.08142	7.7
85.04028	1.7
85.07642	5.8
86.06059	1.5
94.02898	1.6
94.06562	10.5
94.07153	1.6
94.19135	1.5
95.04968	25.7
95.06075	25.3
95.08595	8.3
96.04539	7.9
96.05620	30.1
96.08124	1.5
97.02863	5.6
97.06414	10.3
97.07627	4.1
98.06118	1.6
98.07162	37.1
98.97556	18.2
99.04953	1.9
99.05566	32.4
100.06340	4.6
110.07124	2.5
111.09179	3.1
112.03930	5.4
112.04700	2.3
112.07588	72.2
112.08731	2.3
113.02328	6.3
113.05993	10.6
113.07122	22.8
113.07895	2.0
116.97231	13.6
116.98592	24.2
122.03171	2.0
122.05997	11.0
122.07124	21.8
123.04458	5.7
123.05526	39.2
123.08035	4.0
123.09145	5.1
125.02335	16.1
128.03445	3.7
134.99646	21.3
140.03392	14.5
140.04565	9.6
140.07039	29.2
140.08154	100.0
140.10611	2.8
140.11760	4.6
141.01836	9.7
141.05486	3.3
141.06551	9.5
141.08458	2.7
141.10208	2.7
141.11273	2.8
148.96118	1.7
153.00687	4.6
156.02856	4.4
158.01144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27187	5.6
51.02892	6.3
51.82344	5.7
55.05508	82.5
57.07060	19.0
61.61330	6.2
69.07054	48.2
69.33969	5.7
69.34278	74.6
83.08607	100.0
93.04504	9.3
94.96351	5.5
97.10155	16.5
116.97250	9.9
121.03986	25.4
123.88574	6.3
126.17250	6.0
139.04979	18.6
139.08685	9.2
139.11272	8.6
139.12302	22.1
140.03429	17.0
140.04459	9.2
140.07074	8.7
140.08122	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	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58084	0.6
56.05022	1.1
56.96291	1.3
56.96561	26.0
57.03416	0.9
62.75854	0.6
70.97247	1.5
70.97596	0.8
71.95258	4.2
81.04535	0.7
83.06107	0.7
86.99200	0.8
88.69154	0.6
95.06097	0.8
96.05589	0.9
98.97571	100.0
99.05572	0.8
99.97916	1.5
100.02420	1.1
111.04418	0.7
113.94188	0.8
116.98602	90.2
119.01819	1.6
122.06012	0.7
122.07107	0.9
123.05508	1.3
128.02258	1.0
134.99640	48.4
140.00208	2.2
140.03415	1.5
140.07025	2.3
140.08179	3.2
141.16145	0.7
153.00700	5.8
158.01279	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58084	0.6
56.05022	1.1
56.96291	1.3
56.96561	26.0
57.03416	0.9
62.75854	0.6
70.97247	1.5
70.97596	0.8
71.95258	4.2
81.04535	0.7
83.06107	0.7
86.99200	0.8
88.69154	0.6
95.06097	0.8
96.05589	0.9
98.97571	100.0
99.05572	0.8
99.97916	1.5
100.02420	1.1
111.04418	0.7
113.94188	0.8
116.98602	90.2
119.01819	1.6
122.06012	0.7
122.07107	0.9
123.05508	1.3
128.02258	1.0
134.99640	48.4
140.00208	2.2
140.03415	1.5
140.07025	2.3
140.08179	3.2
141.16145	0.7
153.00700	5.8
158.01279	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03934	3.1
54.03461	1.1
55.01867	4.7
55.05500	3.4
56.05028	4.1
56.96542	1.9
57.93555	0.7
58.02954	0.7
58.03644	0.4
59.04982	0.7
59.06129	0.9
60.04534	0.5
65.03933	9.7
67.01861	3.0
67.05497	6.5
67.36460	0.5
68.05031	0.8
68.99777	6.4
69.03426	4.5
69.04498	0.5
69.07045	1.9
69.11660	0.4
69.50922	4.0
70.06587	1.0
71.01347	0.9
71.06104	1.2
79.05478	1.0
81.04522	1.6
81.07053	0.5
82.02927	0.7
82.06591	0.7
83.04980	6.2
83.06078	2.9
84.04494	0.9
91.05470	0.8
93.03391	7.8
93.04449	0.6
93.07034	2.8
94.06520	0.9
95.04957	10.7
95.06067	1.4
95.08583	1.4
96.05647	2.7
97.02895	3.1
97.06490	3.2
97.07627	1.6
98.07165	5.7
98.97566	1.1
98.98452	1.6
99.00794	0.8
99.05589	3.1
105.04503	0.8
111.04430	22.0
111.08025	0.7
112.03983	0.5
112.05868	0.5
112.08711	0.7
113.07098	1.9
116.97220	1.8
116.98615	1.7
121.02862	6.5
121.03902	0.9
121.06477	0.8
121.10100	1.5
122.07103	2.3
123.05538	2.3
125.02350	1.0
131.57489	0.4
134.99655	1.5
139.03889	100.0
139.07487	1.8
139.08658	1.4
139.09717	6.1
139.11282	2.7
139.12245	1.0
140.03310	0.8
140.04280	2.0
140.07106	0.8
140.08151	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	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
50.73125	0.4
53.03936	2.8
54.03449	1.8
54.85430	0.5
55.01865	5.7
55.05507	2.7
56.03764	0.8
56.05030	6.2
56.96552	4.2
57.03410	0.7
57.04541	0.9
57.93547	1.3
58.06590	1.0
59.04983	0.5
59.06115	2.8
60.04505	0.7
64.80069	0.4
65.03930	11.7
67.01843	2.4
67.02955	0.7
67.05493	7.9
68.05016	1.4
68.99782	7.2
69.03412	6.0
69.04537	0.9
69.07056	3.2
69.72811	3.2
70.06574	1.8
71.01349	1.1
71.06110	1.6
72.04498	0.8
77.03879	0.6
79.05479	3.3
80.05005	0.8
81.03397	1.0
81.04547	3.0
81.07034	1.4
82.02935	0.9
82.06534	0.6
83.04969	8.2
83.06081	4.3
84.04481	1.9
84.08118	0.5
85.07658	0.9
91.05487	2.4
93.03390	7.6
93.04502	0.9
93.07024	5.4
94.06580	0.6
95.04955	15.1
95.06044	2.6
95.08595	2.3
95.54416	0.5
96.04478	0.7
96.05634	3.7
96.08121	0.6
97.02866	3.7
97.03986	0.8
97.06481	5.6
97.07623	1.6
98.06097	0.5
98.07166	8.6
98.97531	2.5
98.98457	2.8
99.05553	3.6
100.06323	1.3
105.04511	1.1
105.07023	0.7
110.03642	0.7
111.04425	25.8
111.08052	1.5
112.03941	1.2
112.08706	1.7
113.07106	2.9
116.97237	2.9
116.98592	2.4
121.02851	9.0
121.03941	1.2
121.06495	1.7
121.10126	1.2
122.05974	1.0
122.07126	4.3
123.05534	5.3
123.09171	0.6
125.02323	2.2
134.99640	3.6
139.03883	100.0
139.07623	3.8
139.08670	1.4
139.09740	7.4
139.11052	3.5
139.12175	1.0
140.03357	1.6
140.04298	3.0
140.07068	1.5
140.08156	13.0
140.11746	0.7
141.06529	1.3
144.99062	0.5
148.96146	0.7
153.00734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03932	2.3
55.01857	1.3
55.05500	3.6
57.07072	4.7
65.03928	1.7
66.04712	2.0
67.05500	15.5
69.03403	1.7
69.07046	3.3
71.62737	0.8
79.05052	0.9
79.05482	9.0
81.03387	1.4
81.07047	39.1
82.06566	1.0
82.07375	1.6
91.05473	8.0
93.07024	4.7
94.04179	20.8
94.06560	0.7
94.07359	0.8
95.04435	0.8
95.04974	4.0
95.08593	47.0
96.04471	2.4
96.08911	1.3
97.06377	0.9
107.04943	1.5
107.08587	0.9
109.06512	6.2
109.07619	0.8
109.10142	10.0
110.05992	2.9
110.07155	2.2
119.04900	0.9
119.08589	2.6
120.04450	1.2
122.03630	38.8
122.07265	7.7
123.03928	1.7
137.02515	5.1
137.05956	100.0
137.08142	2.0
137.09589	17.9
137.13222	8.5
138.01700	1.6
138.05452	5.5
138.06331	5.8
138.09088	1.8
138.10104	1.2
139.89539	0.7
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	N-Methylnicotinate
Peak:m/z	Relative Intensity
53.50922	0.6
54.03468	0.6
55.01856	1.6
55.05494	1.0
55.91571	0.6
56.96553	3.3
57.14883	0.6
65.03933	1.7
67.04241	0.8
67.05484	1.4
68.05016	4.2
69.03419	30.0
69.04515	1.0
72.04490	0.7
77.44638	0.6
80.05031	1.2
81.07061	1.0
82.06565	13.0
83.04933	1.0
83.06899	0.7
83.91685	0.6
93.07051	0.8
96.04477	100.0
96.08924	0.8
97.02867	7.3
97.04816	1.4
97.06512	1.5
98.04800	0.8
98.98421	1.8
103.99141	0.6
108.04430	0.7
110.06033	6.5
111.04425	2.1
120.04439	0.9
121.02829	0.6
121.03985	0.6
123.03879	0.7
136.58890	0.7
138.01738	1.6
138.05482	58.3
138.06415	3.2
138.09103	3.1
138.10068	1.3
139.03903	1.1
139.04881	0.9
139.05858	2.3
139.07535	0.7
139.11185	1.8
144.46245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.00297	4.1
53.03923	2.2
54.03458	2.5
54.58975	0.6
55.01865	4.5
55.05508	4.4
56.03764	1.2
56.05035	8.1
56.96561	16.7
57.04539	1.1
57.93547	1.9
58.02950	0.9
58.06587	1.1
59.06105	2.4
65.03599	1.1
65.03934	22.8
67.01847	1.6
67.05484	4.3
68.05015	2.0
68.99779	7.6
69.03426	5.9
69.04513	1.1
69.07066	3.6
70.06567	2.2
70.78855	2.4
71.06106	2.4
71.95251	1.6
72.04507	1.4
79.05500	3.5
81.03388	3.3
81.04529	4.2
82.02927	1.6
82.05323	0.9
83.04974	8.0
83.06096	5.3
84.04478	3.1
84.05621	0.7
91.05463	1.3
93.03394	8.1
93.04496	0.8
93.07030	5.9
94.06556	1.8
95.04964	9.8
95.06067	4.8
95.08582	1.1
96.04469	1.2
96.05589	2.9
97.02867	3.6
97.06484	5.7
97.07674	1.1
98.07172	7.3
98.97568	25.9
98.98479	4.0
99.05555	4.5
103.05545	0.7
105.04506	0.7
111.04429	40.1
111.08050	1.3
112.03933	2.0
112.04747	0.8
112.08710	1.9
113.07123	3.2
116.97326	4.4
116.98605	25.9
121.02855	11.7
121.03961	3.1
121.06505	0.9
121.10098	2.0
122.06046	1.2
122.07148	5.4
123.05524	5.6
125.02358	0.8
128.03375	0.9
134.02968	0.9
134.99643	22.9
139.03889	100.0
139.07491	3.1
139.08655	2.4
139.09679	6.1
139.11179	4.6
140.03378	2.4
140.04274	2.1
140.07117	1.4
140.08151	14.3
141.06538	0.7
150.26410	0.7
153.00696	4.9
158.01227	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
51.62164	0.7
53.03939	1.8
55.01873	1.0
55.05492	3.8
57.07076	6.7
60.95534	0.7
65.03933	1.5
66.04705	3.3
67.05498	19.7
69.03403	1.3
69.07050	5.0
69.55138	2.7
69.55566	4.4
72.04504	1.5
79.05476	8.3
80.05006	0.9
81.03387	2.0
81.07048	53.2
82.06549	1.0
82.07371	1.1
91.05471	7.9
93.07019	5.9
94.04178	23.8
95.04944	3.6
95.06118	1.4
95.08596	66.2
96.08927	3.0
97.06392	2.2
98.04777	1.3
98.21454	1.3
107.04950	3.0
107.08595	1.7
109.06516	6.4
109.10144	10.2
110.05994	2.0
110.07154	1.9
119.08570	2.4
120.04443	1.6
121.06485	0.9
122.03635	42.6
122.07256	7.5
123.03962	2.1
137.02501	4.3
137.05960	100.0
137.08185	3.1
137.09589	18.3
137.13237	13.8
138.01709	1.4
138.05464	5.4
138.06322	5.0
138.09114	1.0
138.10098	1.1
138.13525	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	137.1323
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03930	2.4
55.01845	1.3
55.05496	5.5
57.07066	11.3
58.49745	0.8
65.03924	3.0
66.04700	2.7
67.05495	29.8
67.84834	0.8
69.03419	1.5
69.06757	0.9
69.07066	8.9
69.77084	0.9
70.51218	0.8
71.62090	1.3
72.04496	1.1
79.05475	11.3
81.04494	0.8
81.07045	72.6
82.06604	1.0
82.07388	2.2
91.05479	7.1
93.07042	8.8
94.04172	24.0
95.04967	3.6
95.08592	95.0
96.04476	2.3
96.05595	0.9
96.08906	3.7
97.06393	2.0
98.04773	1.1
100.79556	0.9
107.04916	3.4
107.08580	2.1
109.06507	8.2
109.10137	14.0
110.06023	2.0
110.07140	1.6
119.04919	1.5
119.08574	2.1
121.06497	1.1
122.03629	41.6
122.07261	10.0
123.03928	2.0
137.02492	4.9
137.05962	100.0
137.09592	27.0
137.10675	1.3
137.13232	20.1
138.01732	2.4
138.05481	5.7
138.06335	4.9
138.09097	2.0
138.10139	1.7
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
52.72038	1.0
53.03928	3.4
53.87444	0.8
55.01855	2.3
55.05506	6.9
65.03918	2.8
66.04710	1.4
67.05497	47.4
69.03428	4.5
69.07044	3.5
70.02985	3.4
79.05482	7.6
81.03400	3.1
81.04513	2.3
81.07047	25.6
83.04954	2.0
91.05469	19.6
91.36824	0.9
93.07020	7.4
94.04183	14.0
95.04958	12.0
95.08596	15.3
97.06393	2.8
98.20876	1.1
104.06258	1.0
107.04944	10.2
107.08592	5.1
108.05725	2.1
109.06503	42.8
109.10145	44.5
110.07156	1.2
111.05553	1.4
117.06984	2.3
118.56567	0.9
119.04907	0.9
119.06065	1.8
119.08560	13.3
121.06471	4.1
122.03638	22.3
122.07269	46.4
123.07626	1.9
135.08040	1.5
137.02400	3.5
137.04878	1.5
137.05963	55.9
137.09596	100.0
137.13205	2.0
138.05463	4.4
138.06468	2.6
138.10002	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	137.1323
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03933	2.5
55.05500	4.0
57.07067	6.4
65.03922	1.8
66.04698	2.3
67.05493	20.3
69.03415	1.8
69.07047	5.3
71.08605	1.0
71.62373	1.2
78.72636	0.8
79.05480	7.7
80.50991	0.6
81.03387	1.7
81.07044	46.8
81.10028	0.6
82.06577	1.1
82.07354	1.0
91.05463	8.0
93.07018	5.3
94.04166	25.6
95.04996	3.6
95.08590	66.0
96.04447	1.5
96.08923	2.0
97.06389	1.5
105.03355	0.9
107.04925	3.2
107.08605	1.0
109.06487	8.1
109.10131	11.0
110.06022	1.7
110.07127	1.3
115.78275	0.7
119.04952	0.7
119.08583	2.1
122.03628	44.0
122.07279	5.8
123.03964	2.2
126.92300	0.7
137.02492	3.7
137.05956	100.0
137.09589	16.0
137.13231	13.8
138.01744	1.3
138.05449	3.1
138.06361	6.4
138.09111	1.2
138.13557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03934	1.0
55.01862	0.8
55.05494	1.4
57.07067	0.6
61.56642	0.5
64.44218	0.4
65.03925	0.6
66.04703	0.8
66.21695	0.4
67.05498	16.3
69.03426	0.9
69.07059	1.2
69.44257	3.9
77.03890	0.4
79.05503	2.4
81.03407	0.9
81.04522	0.6
81.07047	7.6
83.04974	0.5
83.11401	0.4
91.05468	9.6
93.07047	2.7
94.04166	6.4
94.07806	0.5
95.04970	2.1
95.06081	0.5
95.08603	7.7
95.40372	0.4
96.08970	0.5
97.06378	1.4
98.20752	0.6
103.05449	0.5
104.06213	0.7
105.04469	0.5
107.04276	0.7
107.04945	9.8
107.08598	1.1
109.06526	3.2
109.10143	26.5
110.07156	1.0
110.10462	0.9
111.05520	0.6
117.07013	1.5
119.04901	0.8
119.07776	0.8
119.08566	10.3
120.08959	0.4
121.06504	4.4
122.02737	0.5
122.03640	11.9
122.07269	59.9
123.07602	1.8
135.08037	2.7
137.02415	0.8
137.05965	32.4
137.09599	100.0
137.13229	1.2
137.28397	0.4
138.05437	0.8
138.06427	1.7
138.09937	4.0
139.07570	0.4
152.75505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03929	1.0
55.01855	0.6
55.05487	1.8
55.56266	0.4
57.07045	0.6
63.96638	0.4
65.03922	0.7
66.04690	0.8
67.05496	17.4
69.03416	0.7
69.07044	0.6
69.71459	2.9
79.05483	3.2
81.03415	0.5
81.04556	0.5
81.07043	9.8
91.04884	0.5
91.05468	9.1
92.05790	0.4
93.07034	2.6
94.04175	9.0
95.04968	3.1
95.08043	0.6
95.08600	9.2
107.04947	9.6
107.08571	1.0
109.06526	2.5
109.10142	26.0
110.07108	0.5
110.10480	1.2
115.05453	0.5
117.06997	0.9
118.38682	0.4
119.08572	11.0
121.06497	6.0
122.03640	15.8
122.07271	61.5
123.03982	0.6
123.07605	1.5
135.08044	2.3
137.02431	1.3
137.05969	36.7
137.09599	100.0
137.13217	1.2
138.05438	0.9
138.06401	1.4
138.09027	0.6
138.09956	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	137.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.05495	5.3
65.03928	1.7
67.05495	39.8
69.03426	2.2
69.07042	2.0
70.03282	6.2
74.83730	1.3
79.05476	4.9
81.03393	3.9
81.07053	14.5
83.04971	2.8
91.05464	16.1
93.07028	5.7
94.04165	4.8
95.04941	9.4
95.08575	5.4
107.04938	8.9
107.08560	4.6
108.05726	2.1
109.06501	44.9
109.07249	2.2
109.10136	42.4
110.10490	1.5
117.06982	1.8
119.08562	13.4
121.06487	3.6
122.03651	5.1
122.07269	47.7
123.07633	1.9
135.08051	1.5
137.05992	11.3
137.09595	100.0
138.09930	2.9
152.24733	1.3
158.53494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01851	0.8
55.05502	1.2
65.03926	1.9
66.04728	2.5
67.05494	16.2
69.03412	0.9
69.07063	1.0
71.61984	0.5
71.62394	0.8
77.03947	0.5
79.05479	4.8
81.03409	0.8
81.07050	9.6
91.05466	8.7
93.07027	2.9
94.04170	22.5
94.07851	0.5
95.04974	3.4
95.08596	8.6
97.06393	1.3
98.04754	0.5
107.04940	8.1
107.08556	1.3
109.06505	4.0
109.10143	22.1
110.05990	0.5
110.07145	1.2
117.07021	1.0
119.08567	9.1
120.04528	0.6
120.08882	0.6
121.06470	4.0
122.03633	41.0
122.07270	44.4
123.03958	1.5
123.07593	1.4
135.08046	2.2
137.02438	1.4
137.05962	100.0
137.09593	86.2
137.13167	1.2
138.05504	0.8
138.06339	3.7
138.09944	4.2
152.29276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0958
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02355	0.6
53.03925	2.2
54.03441	0.7
55.01863	2.7
55.05501	5.8
56.05019	1.0
57.03407	0.9
65.03936	2.6
66.04698	1.0
67.01855	0.7
67.05492	44.8
68.05015	0.6
68.05811	0.7
69.03421	2.5
69.04528	0.9
69.07047	1.6
69.59777	4.3
71.37730	0.5
79.05479	6.9
81.03406	3.1
81.04520	2.5
81.07043	20.0
82.06564	1.0
83.04960	2.7
83.06084	0.9
91.05460	17.7
92.05805	0.6
93.04476	0.5
93.06473	0.5
93.07031	6.9
94.04167	7.9
94.07768	0.6
95.04961	12.7
95.06030	0.9
95.08588	13.4
96.04443	0.6
96.05663	1.4
96.06848	0.6
96.08965	0.6
97.06382	3.1
97.07669	0.7
99.01753	0.5
103.05454	0.9
105.06985	0.7
107.04936	8.4
107.08556	5.1
108.05731	1.1
109.02835	0.6
109.06497	40.5
109.10133	42.2
109.36858	0.5
110.06095	0.5
110.07092	2.4
110.10461	1.8
111.05527	0.9
117.06992	2.1
119.04912	0.5
119.06020	1.9
119.08562	12.5
119.09286	0.4
120.05559	0.7
121.06482	4.2
122.02734	0.6
122.03629	14.4
122.07263	48.7
123.04012	0.7
123.07627	1.6
135.08020	1.8
137.02451	3.5
137.03435	1.0
137.04871	1.3
137.05959	36.8
137.09589	100.0
137.13220	1.5
138.05458	2.1
138.06512	3.7
138.09064	0.8
138.09967	4.1
149.30132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03935	2.4
55.01851	2.5
55.05508	4.4
57.03420	0.7
57.07063	0.8
62.78169	0.7
65.03922	2.4
65.77823	0.6
67.05494	42.2
68.05823	1.5
69.03410	3.1
69.07053	2.0
70.77570	2.6
79.05476	7.0
81.03393	3.1
81.04535	1.6
81.07043	20.4
82.06562	0.8
83.04970	2.1
91.05463	17.7
93.07037	6.2
94.04180	8.0
94.07825	1.0
95.04957	11.8
95.08590	15.1
96.05650	1.0
97.06400	2.3
107.04937	9.5
107.08588	4.8
108.05724	1.6
109.06503	42.0
109.10139	42.8
110.06944	1.0
110.10464	1.3
117.06999	1.2
119.06051	1.3
119.08566	12.9
120.05582	0.7
121.06458	3.8
122.03633	11.4
122.07269	45.0
123.07584	1.5
135.08040	2.3
137.02417	1.1
137.04855	1.0
137.05971	29.1
137.09596	100.0
138.06364	1.5
138.09964	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	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03922	2.5
54.03453	2.6
55.01854	1.3
55.05301	0.5
55.05507	6.0
55.70039	0.5
56.05006	1.2
65.03914	2.1
66.04707	2.4
67.05495	19.4
68.05013	1.2
69.03417	1.7
69.04535	1.7
69.07038	1.4
71.62180	0.8
72.04496	0.7
74.96450	0.6
79.02975	0.6
79.05490	7.6
80.05037	0.8
81.03402	2.2
81.04536	5.6
81.07045	16.7
82.06552	1.4
83.04972	0.9
83.06083	1.8
91.05470	9.9
92.00514	0.6
93.04484	0.6
93.07034	7.1
94.03585	1.1
94.04172	18.8
94.06544	0.7
95.04967	7.3
95.06081	1.4
95.08595	13.9
96.04489	0.8
96.05602	1.6
96.08927	0.8
96.35184	0.6
97.06392	5.0
97.07635	1.1
98.04781	1.2
107.04939	3.4
107.08601	2.7
109.06499	12.3
109.07616	0.8
109.10135	15.3
110.06026	1.3
110.07184	6.4
111.05540	2.1
117.07017	0.8
119.04953	1.8
119.06054	0.9
119.08547	3.8
120.04463	1.2
120.05539	2.2
121.06442	0.7
121.07613	1.4
122.03632	37.7
122.07270	10.4
123.03992	1.0
135.07988	0.8
137.02481	4.7
137.05960	100.0
137.08208	6.7
137.09592	31.5
137.10638	1.7
137.13206	1.4
138.05469	4.0
138.06485	5.4
138.09100	2.2
138.10155	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02370	0.5
53.03936	0.7
55.01855	0.4
65.03933	1.0
66.04711	2.7
67.05489	1.1
69.55471	0.6
69.55895	0.7
77.03928	0.5
79.05480	2.8
81.03398	0.3
81.07037	2.3
84.02529	0.2
84.98010	0.2
91.04961	0.2
91.05475	2.4
93.07030	0.6
94.04173	23.8
95.04478	0.5
95.05008	1.1
95.08589	1.2
105.03379	0.3
105.04459	0.2
107.04923	1.6
109.06532	1.4
109.10128	0.5
110.05983	0.2
119.04874	0.2
122.03630	44.1
122.07229	0.4
123.03977	1.1
135.04428	0.5
137.05957	100.0
137.09433	1.3
138.05446	0.4
138.06320	3.3
140.95143	0.2
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
51.02408	0.3
53.03951	1.0
53.43708	0.3
55.01865	0.5
55.05497	0.6
57.07079	0.4
58.10281	0.2
65.03932	1.0
66.04711	2.3
67.05499	5.2
69.03431	0.7
69.07063	0.3
69.44141	0.6
69.44556	2.1
77.03902	0.3
79.05481	3.9
81.04572	0.3
81.07047	5.8
82.06538	0.3
83.06129	0.4
91.05457	4.6
93.07040	1.6
94.04176	21.8
95.04449	0.6
95.04970	1.3
95.08597	4.8
95.81782	0.3
97.06400	0.9
103.05458	0.4
105.03384	0.5
105.54288	0.3
107.04942	3.4
107.08565	0.5
109.06505	2.5
109.10143	4.9
110.06026	0.5
110.07150	1.1
111.05573	0.4
119.08562	2.5
121.06471	0.8
122.03634	41.6
122.07269	8.8
123.03978	1.1
135.04414	0.3
137.02534	1.5
137.05959	100.0
137.09586	16.4
137.13248	0.7
138.05354	0.4
138.06325	3.8
138.10048	0.7
157.54103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03929	1.2
55.01853	0.8
55.05502	0.6
65.03920	1.0
66.04704	2.4
66.83557	0.5
67.05493	6.5
69.03417	0.9
69.07022	0.5
70.67464	1.2
70.67873	1.1
73.23832	0.5
79.05473	3.7
81.03398	0.8
81.07043	8.2
82.59077	0.4
91.05455	5.5
92.05019	0.5
93.07001	1.8
93.43763	0.5
94.04169	20.5
94.04769	1.1
95.04443	0.6
95.04956	2.9
95.08594	7.3
96.04465	0.7
105.03438	0.6
107.04925	2.1
107.08602	0.6
109.06496	4.8
109.10149	3.0
110.06017	1.9
119.08533	1.2
120.04495	0.9
122.03630	34.9
122.07262	2.6
123.03968	1.1
135.04346	0.7
137.02538	5.5
137.05951	100.0
137.09581	8.3
137.13199	1.3
138.01736	1.3
138.05411	4.6
138.06335	3.6
138.09074	2.8
140.95113	0.6
146.20494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0594
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.65978	0.3
53.03939	1.2
55.01851	0.8
55.05499	1.2
57.07053	1.3
65.03931	1.4
66.04392	0.4
66.04704	2.8
67.05494	9.9
67.05861	0.5
67.66174	0.3
69.03416	1.1
69.07060	0.7
70.87211	0.6
70.87559	0.5
72.04514	0.5
77.03897	0.5
79.05484	4.3
81.04530	0.8
81.07046	8.7
82.06593	0.3
90.43999	0.4
91.04956	0.6
91.05467	6.3
93.07029	2.5
94.04171	23.3
95.04463	0.4
95.04980	2.8
95.06050	0.4
95.08598	10.4
97.06384	1.3
101.95958	0.4
104.06198	0.4
105.03355	0.5
105.04551	0.5
107.04927	3.7
107.08582	0.8
109.06498	5.0
109.10141	9.3
110.06065	0.5
110.07150	1.2
110.10499	0.4
117.06989	0.5
119.04916	0.7
119.08575	3.6
121.06478	1.5
122.03630	43.7
122.07262	15.2
123.03984	1.3
123.07593	0.6
135.04384	0.5
135.08035	0.5
137.02420	1.3
137.05957	100.0
137.09586	31.1
137.13177	2.3
138.05457	0.7
138.06381	3.5
138.09064	0.5
138.10023	1.1
150.27306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0594
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03928	1.0
54.03464	0.5
55.05497	1.2
57.07053	1.1
65.03930	0.8
66.04705	2.3
67.05494	6.3
69.04523	0.7
69.05293	0.4
69.07052	0.7
69.45364	3.2
69.85034	0.3
72.04489	0.4
77.03915	0.4
79.05471	4.0
81.03403	0.7
81.04519	1.5
81.07043	11.1
82.06567	0.5
82.30732	0.3
91.05468	4.1
93.04548	0.4
93.07011	1.7
93.76410	0.4
94.04169	21.6
95.04957	1.6
95.06066	0.7
95.08591	13.9
96.05603	0.9
97.06380	2.7
97.07628	0.4
107.04935	1.8
107.08543	0.4
109.06506	3.3
109.10139	3.8
110.06040	0.5
110.07153	2.6
111.05534	0.6
119.08551	1.0
120.05599	0.5
121.07684	0.5
122.03627	40.5
122.07265	2.8
123.03947	0.9
135.04427	0.6
137.02560	2.1
137.05956	100.0
137.09578	6.7
137.13248	2.7
138.05449	0.7
138.06389	3.1
138.09132	0.5
138.10228	0.9
156.91078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
50.41551	0.1
55.01852	0.4
55.05492	0.3
56.96546	0.6
57.03425	1.3
65.03918	0.3
66.04248	0.2
66.62556	0.1
67.02990	0.4
67.05504	0.1
69.03420	1.1
70.03712	0.2
70.04226	0.1
70.52293	0.1
70.97775	0.4
78.52957	0.3
79.03029	0.2
79.67975	0.1
82.01420	0.5
82.04153	0.3
83.01438	0.2
83.04961	0.7
84.01157	0.2
87.53452	0.2
88.03519	0.2
90.03356	0.2
91.05461	0.5
91.53722	0.4
92.02481	0.4
92.03789	1.5
92.52676	0.2
92.53565	1.5
93.02747	0.4
93.52547	0.5
94.02674	0.2
94.04039	3.3
94.52723	0.5
95.02515	0.2
95.03462	0.1
95.04306	0.1
97.02932	0.2
97.52807	0.4
100.02460	1.2
101.00866	0.5
101.02531	0.8
101.04308	0.5
101.54083	0.3
102.00983	0.3
102.02218	1.0
103.00643	0.2
103.53304	0.3
105.53440	0.2
106.03511	1.3
106.53304	1.2
107.04939	0.2
109.05122	0.6
109.37242	0.1
111.04402	0.7
112.04946	0.2
113.00848	0.4
115.01256	0.1
115.02380	0.2
115.04056	0.6
115.53863	0.2
118.03500	0.6
119.01917	1.5
119.03531	9.9
120.02047	0.3
120.03223	0.5
121.01663	0.4
124.04557	0.3
124.54517	0.1
131.01894	2.0
132.01991	0.3
133.01637	0.2
133.03427	0.2
136.06163	100.0
137.04567	6.4
137.06618	1.5
138.04863	0.1
139.03937	0.1
142.03519	0.2
143.03665	0.3
144.03264	0.4
145.03491	0.1
149.02940	0.2
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
50.67102	0.1
55.01863	0.2
55.05496	0.3
56.96561	0.5
57.03423	0.6
59.40995	0.1
65.03928	0.3
67.02961	0.2
68.05022	0.2
69.03417	0.8
70.03745	0.1
71.03612	0.2
81.07025	0.2
82.01437	0.1
82.04172	0.1
83.01488	0.1
83.04963	0.5
84.01177	0.1
91.05479	0.3
91.53716	0.3
92.02489	0.2
92.03783	0.8
92.52674	0.2
92.53591	0.5
93.02782	0.4
93.03333	0.2
93.07005	0.1
93.52557	0.4
94.04044	1.8
94.52741	0.2
95.02509	0.2
95.04925	0.1
95.06112	0.2
96.05594	0.1
96.06873	0.2
97.03020	0.1
97.52804	0.2
100.02458	0.8
101.00889	0.2
101.02576	0.4
101.04312	0.3
101.53318	0.1
102.02223	0.6
104.03044	0.1
105.53441	0.2
106.03532	1.2
106.53318	1.0
107.03601	0.1
108.08083	0.2
109.01064	0.1
109.02906	0.1
109.05091	0.4
109.07618	0.4
111.04416	0.5
111.53436	0.3
112.05035	0.2
113.00842	0.2
115.04060	0.4
115.53811	0.5
118.03503	0.3
119.01915	0.2
119.03535	5.6
120.02008	0.2
120.03246	0.3
121.01645	0.4
122.03633	0.5
124.04589	0.2
124.52495	0.1
124.54343	0.2
126.03578	0.4
131.01895	1.4
132.01974	0.2
133.01566	0.2
136.02177	2.1
136.06168	100.0
137.04581	3.8
137.05783	0.8
137.06517	1.5
137.08171	0.2
142.03513	0.2
143.03644	0.2
144.03226	0.2
149.02951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03930	3.9
55.01867	2.5
55.05507	6.9
57.07062	1.1
65.03914	2.5
67.05497	2.6
68.05028	5.0
69.07059	4.4
69.41599	8.2
79.05485	23.0
81.07029	3.1
91.05471	30.8
92.05792	1.7
93.07035	41.7
94.07355	1.3
95.04961	6.5
95.06113	1.6
96.06840	1.4
105.07018	16.4
107.04929	5.9
107.08584	100.0
108.08923	3.2
109.06505	7.1
109.07647	1.6
115.05432	3.1
117.07005	3.6
119.06065	2.8
119.08562	8.9
120.09353	2.9
133.10085	0.8
135.04417	7.6
135.08055	27.4
135.09108	1.5
135.11685	32.0
136.02150	18.2
136.05190	1.5
136.06161	7.3
136.07516	2.1
136.08563	4.9
136.12053	2.0
153.27940	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.2
55.05501	6.2
57.07064	1.1
61.77212	1.1
62.21015	0.9
67.05473	1.7
67.81278	1.1
69.07052	1.7
71.39252	1.4
71.39579	1.0
79.05483	21.1
81.07027	2.0
85.77010	1.3
91.05466	36.1
92.05782	1.1
93.07026	48.8
93.07623	2.4
95.04942	8.4
96.12477	1.2
105.07005	20.7
107.04936	4.0
107.08575	100.0
108.08899	3.2
109.06487	7.4
115.05444	1.3
117.07026	2.1
119.06049	1.9
119.08572	15.0
120.09342	5.7
132.39690	1.1
133.10091	1.6
134.64197	1.0
135.04379	5.1
135.08047	10.1
135.11668	43.1
136.02167	10.0
136.05161	1.3
136.06190	4.2
136.07616	1.6
136.08636	1.3
136.12027	2.1
137.09637	1.5
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
53.03934	2.9
55.01833	0.8
55.05502	6.2
57.07062	0.9
60.21878	0.7
63.94621	0.7
65.03925	2.0
67.05487	1.8
69.07053	2.2
71.10430	1.5
77.03910	0.8
79.05482	16.4
81.02636	0.7
81.07023	2.0
91.05469	31.3
92.05772	1.2
93.07028	35.9
95.04944	4.2
95.08589	1.3
103.05427	1.4
105.04539	1.3
105.07013	18.4
106.07850	0.9
107.04932	2.6
107.08575	100.0
108.08891	3.4
109.06494	6.9
115.05396	1.3
117.06989	2.4
119.06056	3.0
119.08575	14.9
119.09394	0.5
119.60906	0.7
120.09345	6.0
133.10107	1.2
134.02010	0.7
135.04408	2.8
135.08047	12.3
135.11670	42.8
136.02158	5.6
136.06143	2.9
136.08530	0.8
136.11983	1.1
137.09581	1.4
139.72939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.2
54.71587	0.9
55.01857	2.5
55.05493	6.8
57.07055	1.2
60.04501	1.0
65.03918	2.8
67.05478	3.0
68.05008	4.0
69.03394	1.1
69.07047	2.2
71.35310	1.5
75.05575	1.1
79.05480	21.8
81.00949	1.0
81.07048	2.7
85.96705	1.0
87.05579	3.8
91.05466	41.8
92.05798	1.1
93.07027	44.5
94.07330	1.6
95.04946	6.0
95.06057	1.8
96.06870	3.3
103.05445	1.5
105.04486	1.3
105.06369	1.8
105.07012	20.0
107.04933	6.9
107.08575	100.0
107.46320	0.9
108.08897	4.0
109.06505	6.4
109.07605	3.3
115.05466	3.1
117.06973	5.2
119.06046	4.0
119.08559	32.0
120.09443	5.7
126.80367	1.2
133.10112	2.7
135.04401	8.8
135.05434	2.1
135.06523	2.3
135.08028	27.9
135.11670	49.8
136.02144	19.9
136.06172	11.1
136.07605	1.9
136.08598	6.1
136.12007	3.0
137.09619	2.8
138.46530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.96633	0.5
52.47476	0.4
53.03934	1.6
55.01861	0.6
55.05496	1.8
58.05325	0.9
59.35717	0.5
65.03905	0.7
67.05491	0.8
70.06580	0.5
71.05012	0.7
71.41214	1.0
74.06049	0.7
77.03885	0.9
79.05479	8.0
85.04012	0.9
87.05576	0.9
91.05466	16.3
92.05788	0.7
93.07032	4.3
95.04941	1.8
100.27402	0.5
103.05442	3.8
105.03397	1.2
105.07012	66.7
106.07338	2.6
107.06028	0.8
107.08601	0.7
115.05464	4.3
116.06194	0.9
117.06981	3.9
118.04147	1.0
118.07784	5.2
131.08559	7.8
133.02841	2.6
133.06485	15.6
133.10107	100.0
134.05960	1.3
134.06975	1.5
134.10455	4.7
152.76443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51653	1.0
53.00284	0.6
53.03919	1.4
55.01863	8.2
55.05503	8.3
55.59916	0.6
56.96544	3.0
57.03428	37.9
58.06589	0.7
58.99847	4.2
59.04984	1.1
59.52172	2.4
60.04516	0.7
61.02890	0.9
65.01186	0.7
65.03931	9.8
65.52180	2.4
67.01847	1.3
67.05484	1.4
68.02619	2.0
68.05015	0.7
68.98294	0.8
69.03419	32.7
69.03802	1.6
69.52399	1.2
69.78946	3.8
70.04209	4.3
70.06574	1.6
70.99821	1.0
71.01329	0.9
71.02397	0.9
71.02953	0.8
71.04964	2.2
72.08142	6.7
72.52950	0.8
73.02131	0.8
73.02905	23.3
73.52644	0.9
74.02428	9.8
74.51635	0.9
74.52703	1.2
77.00880	4.5
77.21916	0.6
77.52172	0.9
78.52949	15.6
79.02143	1.2
79.02994	1.2
79.05472	0.9
79.51914	2.6
80.02941	4.1
80.52686	3.5
81.01891	1.0
81.03400	8.3
82.01425	11.4
82.01862	1.2
82.02687	1.3
82.04178	2.7
82.53175	3.0
82.99847	1.2
83.04967	21.7
83.52148	1.9
84.52944	2.5
85.02137	3.7
85.02899	7.3
85.51904	1.7
85.53728	9.9
86.03696	1.7
86.52679	9.2
86.99300	0.8
87.02730	1.2
87.04404	0.7
87.52413	1.9
87.53480	5.5
88.02672	12.3
88.03975	6.2
88.07634	1.0
88.52789	1.1
89.00862	1.2
89.03445	1.6
90.03748	1.8
90.09189	3.8
90.52940	2.6
91.03194	0.7
91.53716	83.9
92.52682	32.0
92.53275	1.5
92.53905	1.0
93.01886	4.4
93.03376	5.2
93.51994	0.9
93.53465	5.7
94.02115	1.2
94.02663	19.9
94.52405	0.8
94.54242	2.3
95.01924	1.6
95.53199	5.5
96.02406	0.8
96.03284	0.8
96.07953	0.7
96.52932	17.5
97.03251	1.7
97.04499	1.2
98.03462	0.6
98.06042	3.3
98.21461	1.3
98.52695	1.1
98.97556	0.8
99.04361	0.7
99.53452	8.4
100.02467	62.7
100.52392	0.9
100.54235	25.7
101.00856	14.3
101.02539	1.5
101.53205	4.2
102.00939	1.1
102.02399	10.9
102.52516	1.0
103.02472	1.5
103.03179	5.5
103.04498	7.8
104.03481	3.6
104.52679	3.7
105.00336	1.4
105.04231	0.9
105.53445	100.0
106.53656	1.0
107.03966	0.7
107.53165	0.8
108.03731	2.8
108.53964	1.1
109.02837	3.1
111.02157	1.2
111.02915	7.0
111.04426	23.0
111.52964	0.9
112.05038	1.1
112.54269	0.7
113.00848	3.7
113.53178	3.4
114.53966	33.9
115.01165	2.9
115.02419	2.2
116.07058	1.4
116.98582	0.7
117.04247	7.8
118.01129	2.5
118.03505	50.6
119.01904	48.1
119.02803	1.1
119.03622	1.4
120.02000	2.7
120.03413	2.4
121.01579	2.4
121.04191	2.6
122.53706	4.4
123.01554	1.2
123.03951	2.8
123.53556	0.9
123.54475	16.8
124.02425	10.6
126.03961	1.6
126.04766	2.3
128.01953	2.0
129.05493	1.0
131.01892	24.8
131.54213	1.5
132.02007	1.4
132.55016	6.0
133.02267	0.8
133.03474	2.5
134.06035	1.2
134.08138	3.3
134.09665	0.7
134.11745	16.5
136.02417	2.0
137.02939	12.5
138.03046	0.7
139.02565	0.8
141.02698	7.4
141.03860	1.2
141.05054	2.6
142.03477	69.3
143.01901	0.7
143.03604	5.9
144.03241	1.7
144.05016	1.3
145.03438	4.9
147.01373	1.5
147.05009	0.8
149.02936	6.8
154.03473	24.4
154.04724	1.4
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
50.81495	0.3
53.03931	0.5
55.05492	1.1
56.65402	0.3
59.30852	0.3
67.05494	0.4
79.05482	3.4
86.72100	0.3
91.05466	11.1
93.07030	3.5
95.04970	0.7
103.05434	1.7
105.07014	34.9
106.07346	1.4
107.08591	0.9
115.05424	3.8
116.06234	0.7
117.06999	4.0
118.07810	4.8
119.08185	0.3
131.08551	4.3
133.06493	1.1
133.10110	100.0
134.10448	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	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02380	0.6
53.03934	1.0
55.05487	1.9
58.05323	2.1
67.05492	0.6
70.02277	2.3
70.06593	0.6
72.70342	0.5
74.06059	0.7
75.05590	0.9
79.05475	5.3
84.65025	0.5
85.04016	1.7
87.05590	0.6
88.40608	0.5
88.48737	0.5
91.05466	14.8
91.06009	1.1
92.07122	0.5
93.07031	4.3
95.04951	1.6
97.34531	0.5
103.05442	2.5
105.03394	0.8
105.07014	59.5
106.07349	1.2
107.08578	0.8
115.05446	3.9
116.07053	0.6
117.06999	4.4
118.04046	0.5
118.07791	5.3
121.72402	0.6
130.94757	0.4
131.08549	7.1
133.02866	1.1
133.06502	9.2
133.10110	100.0
134.06006	1.0
134.07054	0.9
134.10445	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	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.58795	0.3
53.03940	0.7
55.05508	1.5
57.10444	0.2
64.93176	0.2
65.03934	0.3
67.05508	0.4
70.91598	0.2
70.91935	0.5
79.05482	4.3
91.05470	11.8
92.05769	0.4
92.06316	0.3
93.07031	2.7
95.04956	0.9
103.05453	2.1
105.03405	0.3
105.07019	36.2
106.07369	0.9
107.08601	0.9
115.05436	4.3
116.06252	0.9
117.06995	4.5
118.07795	5.3
129.06973	0.4
131.08543	5.0
133.02826	0.8
133.06541	2.6
133.10114	100.0
134.05980	0.4
134.10437	4.3
142.90717	0.2
150.07730	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37710	0.3
53.03938	0.9
55.05496	1.3
58.05330	0.3
65.49191	0.3
67.05495	0.5
70.16151	1.1
77.03909	0.5
79.05483	3.6
88.71290	0.3
91.05470	12.1
93.07034	3.7
93.50943	0.3
93.97464	0.3
95.04961	1.6
103.05444	2.6
105.03378	0.6
105.07018	38.0
106.07340	1.9
107.08569	0.5
111.29444	0.3
115.05444	3.8
116.06233	0.5
117.07005	4.4
118.04168	0.3
118.07802	5.3
129.06989	0.5
129.65137	0.3
131.08556	5.8
133.02826	1.4
133.06508	6.0
133.10114	100.0
134.06006	0.4
134.06961	0.4
134.10454	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03929	0.6
55.05498	1.4
55.69217	0.3
58.63441	0.3
65.03909	0.4
69.61941	1.7
69.62347	0.7
79.05486	3.9
80.65187	0.3
91.05466	10.8
93.07034	3.0
95.04931	1.2
103.05447	2.2
105.03420	0.4
105.07018	38.3
106.07352	1.3
107.08601	1.1
115.05431	3.7
116.06193	0.3
117.06998	3.5
118.07797	4.5
120.25900	0.3
125.81738	0.3
131.08549	4.9
133.02806	0.5
133.06520	2.9
133.10114	100.0
134.06978	0.4
134.10437	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	133.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
54.34670	0.4
55.01854	1.6
55.05496	0.7
58.05329	1.1
65.03939	0.5
65.89377	0.4
67.05482	0.4
69.03421	0.7
69.67712	3.0
71.04992	0.5
73.04007	0.4
75.05568	0.5
75.11291	0.4
75.93156	0.4
77.03909	0.7
79.05481	15.5
85.04020	1.0
86.08504	0.4
87.05570	0.7
88.02195	0.5
91.05472	8.1
93.07021	1.4
95.04953	4.9
103.05457	8.1
105.07014	72.5
106.06621	0.6
106.07313	2.2
115.05457	3.1
117.06970	2.2
118.04118	1.6
118.07822	2.0
131.08531	3.3
133.02831	1.1
133.06473	100.0
133.10109	33.0
134.05937	1.2
134.06866	3.7
134.10429	1.2
148.17912	0.4
152.85323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02367	1.0
51.66893	0.7
53.03924	2.2
55.01859	2.3
55.05507	3.4
56.05026	0.9
57.04576	0.7
58.05343	4.0
59.06118	0.9
62.70562	0.6
66.04694	1.1
67.05486	1.3
69.62154	3.8
69.62566	1.2
71.04958	0.7
73.04053	0.7
73.06548	1.5
74.06062	1.6
74.93534	0.7
75.05589	3.1
77.03913	1.8
77.31492	0.7
79.05477	10.9
85.04013	2.8
86.04836	0.9
87.05579	2.3
88.02205	0.9
90.04686	2.0
91.04982	0.7
91.05482	9.9
93.07026	0.7
95.04941	2.7
103.05455	8.6
105.03375	1.9
105.07018	80.4
106.07372	2.2
115.05481	3.1
116.07075	1.4
117.06986	1.7
118.04140	11.1
118.07782	1.2
131.08568	3.5
133.02823	2.3
133.06477	100.0
133.10133	23.6
134.05969	1.7
134.06940	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	133.0646
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02368	1.1
53.03938	4.3
55.01862	2.5
55.05500	1.8
58.05331	2.0
65.03919	1.3
69.03413	1.3
69.49081	6.3
71.04967	0.8
75.05599	1.5
77.03934	1.2
79.05476	14.5
85.04024	1.6
87.05602	1.1
91.05470	14.3
93.07032	3.0
95.04951	4.5
102.51695	0.6
103.05441	8.6
105.03378	0.7
105.07017	92.9
106.06607	1.1
106.07349	2.7
107.08577	0.8
115.05444	5.4
117.07039	3.4
118.04142	2.4
118.07776	4.0
131.08522	5.4
133.02876	2.7
133.06476	100.0
133.10112	53.0
134.05954	1.2
134.06900	5.6
134.10455	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.21827	0.2
57.03431	0.2
67.05501	0.4
68.05679	0.2
69.03429	0.2
69.70206	1.6
70.03741	0.2
72.11713	0.2
76.04472	0.3
77.03923	0.6
81.03391	0.2
84.65266	0.2
85.02915	0.2
88.09637	0.2
91.05473	2.2
95.04945	4.4
98.21378	0.4
102.04695	0.6
103.05453	100.0
104.05786	4.2
105.04501	0.9
113.07909	1.3
116.06242	0.4
120.65453	0.3
131.04909	17.9
131.08513	3.3
131.16075	0.2
131.50407	0.3
132.05287	0.6
132.08044	0.4
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
50.01589	0.2
51.02378	0.3
52.34422	0.2
53.03945	2.1
55.01868	0.3
56.05014	0.5
57.03429	1.9
59.05016	0.4
59.06115	0.5
60.04510	0.3
62.61268	0.2
67.05499	0.7
69.03403	0.3
70.03750	0.6
70.06626	0.3
71.04994	0.4
71.15588	0.2
71.61757	0.3
72.04482	0.3
72.08137	0.3
77.03892	0.5
83.02451	0.3
83.06122	0.4
85.02940	0.3
85.08453	0.4
86.06021	0.4
86.09695	0.9
87.05591	0.3
91.05470	7.8
95.04961	3.6
98.08423	0.3
102.04702	0.6
103.05454	100.0
104.05788	4.3
105.04496	0.7
113.05975	0.3
113.07172	0.6
113.07914	2.9
115.05410	0.3
116.06233	2.3
129.06963	1.4
131.04912	18.3
131.06940	0.8
131.08536	12.0
131.16254	0.4
132.05232	0.8
132.06528	0.3
132.08853	0.4
134.57355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.3
53.03936	1.7
70.38268	0.2
77.03927	0.4
85.78125	0.3
87.55466	0.3
89.67113	0.2
91.05455	0.6
95.04962	2.5
98.20695	0.5
102.04670	0.6
103.05453	100.0
104.05788	3.5
105.04496	0.6
113.07906	0.5
131.04912	17.8
131.08559	0.9
132.05258	0.7
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	Isoleucine
Peak:m/z	Relative Intensity
54.56736	0.2
55.01864	0.4
55.66558	0.3
56.96557	1.8
57.03418	0.4
58.06566	0.2
60.10860	0.2
65.32574	0.2
69.03432	0.5
69.07062	3.6
69.88797	1.5
69.89107	0.4
73.02911	0.3
81.01869	0.2
81.03415	0.5
82.77739	0.2
83.04990	0.4
85.32823	0.2
86.09693	100.0
87.10023	2.2
88.01770	0.3
98.97555	0.5
99.53477	0.5
100.02461	1.2
101.00883	0.3
101.04177	0.3
102.01524	0.8
111.02045	0.7
111.04411	0.3
113.28153	0.2
116.98663	0.3
118.03500	0.8
119.01929	0.7
120.02566	0.6
132.10181	1.8
142.03442	0.3
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
53.03944	2.7
53.55854	0.3
54.76385	0.2
56.05043	0.3
57.03428	1.1
59.04983	0.3
59.06123	0.4
60.66351	0.2
65.03932	0.3
69.03417	0.3
70.72536	0.6
72.04503	0.4
77.03902	0.6
85.08457	0.4
86.09692	0.6
87.05562	0.3
91.05473	10.2
95.04946	3.9
98.31755	0.3
102.04681	0.9
103.05457	100.0
104.05786	3.7
104.44559	0.3
105.04503	1.1
109.06509	0.6
113.07226	0.5
113.07910	1.8
115.05456	0.8
116.06238	3.2
117.07069	0.4
119.06021	0.3
129.06993	1.5
131.04918	18.5
131.08549	12.1
132.05266	0.6
132.08073	1.9
132.08949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03944	2.1
55.72808	0.2
57.03421	0.3
67.82143	0.2
70.17617	0.8
72.04498	0.3
77.03907	0.4
85.04849	0.2
86.12440	0.3
91.05484	2.0
95.04357	0.3
95.04951	4.3
101.54900	0.2
102.04652	0.9
103.05450	100.0
104.05782	3.5
105.04504	1.0
113.07181	0.3
113.07946	0.7
114.02737	0.2
116.06210	0.5
129.06993	0.3
131.04909	16.8
131.08527	2.3
132.05255	0.7
144.07944	0.2
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
51.02367	0.3
52.19335	0.2
53.03941	2.0
57.03425	0.3
70.51504	1.0
77.03905	0.5
79.14443	0.2
85.02263	0.2
85.04819	0.3
91.05478	1.0
95.04953	3.4
97.53097	0.2
102.04680	0.8
103.05453	100.0
104.05795	3.3
105.04498	0.8
113.07916	0.9
116.06247	0.4
123.98519	0.2
131.04912	17.1
131.08516	2.1
131.26932	0.3
132.05269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0501
Annotation	(R)-(+)-2-Pyrrolidone-5-carboxylic acid
Peak:m/z	Relative Intensity
55.01865	0.3
55.05502	0.4
56.05029	4.1
56.15556	0.2
56.96555	2.4
57.03431	0.8
57.07065	0.8
59.06125	0.4
61.02922	0.5
67.05489	0.6
69.03419	2.8
69.07057	0.7
69.74847	1.4
70.06594	0.4
71.02970	0.5
72.04504	0.5
72.08147	2.4
73.02904	0.5
74.09711	0.6
74.52702	0.3
77.00869	0.4
81.03410	0.4
82.01454	0.3
82.06571	0.3
83.00768	0.3
84.04493	100.0
84.08132	12.0
84.08517	0.2
84.08659	0.3
85.02892	2.8
85.04806	1.8
85.07687	0.6
85.53740	0.3
85.74083	0.2
88.51662	0.3
89.90689	0.4
90.01561	0.4
92.01278	0.5
96.02396	0.3
97.02884	0.7
98.52711	0.3
98.97558	1.3
100.02469	2.0
100.54176	0.3
101.00835	0.4
101.02575	0.3
102.05515	1.5
106.01034	0.3
110.01295	0.5
112.07590	8.5
113.07105	0.7
113.10742	0.3
115.52095	0.3
116.98619	0.9
118.03542	1.5
119.01852	1.4
119.03561	0.3
120.01970	0.3
121.01666	0.3
121.06223	0.2
128.02315	0.8
128.98599	0.3
130.04984	14.2
130.06406	1.1
130.08623	5.6
130.09607	0.5
130.15906	2.2
134.99661	0.4
141.05281	0.2
146.99562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	19.0
56.05012	6.8
57.07059	6.9
59.06114	3.0
69.04542	2.6
69.07059	100.0
70.06583	2.4
71.62321	2.5
80.05011	3.2
81.04535	2.5
81.07064	2.7
83.04940	3.3
83.06076	4.0
83.08602	23.5
84.04479	3.2
84.05603	3.1
84.08107	9.3
94.82687	2.5
97.07622	6.4
105.62459	2.1
107.06052	6.5
107.08588	2.2
108.04468	39.4
108.08050	2.2
125.04264	9.8
125.06001	6.3
125.07099	18.4
125.08185	21.8
125.09811	3.6
125.10730	19.4
126.05504	60.9
126.06512	5.4
126.09252	6.8
126.10257	69.7
126.11199	4.0
133.54582	2.3
137.11169	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	129.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.0
53.03923	1.1
55.01860	3.5
55.02981	1.1
55.05259	1.4
55.05504	25.4
56.05032	4.3
57.03428	16.2
57.07065	19.9
57.13033	0.9
57.32009	1.0
58.02934	0.9
58.06586	3.2
59.04995	24.9
59.06121	3.2
60.04502	1.7
65.03953	1.5
65.72671	0.8
67.05492	6.6
69.03420	49.6
69.04552	1.2
69.07058	64.0
69.61771	4.6
69.62199	3.1
70.06575	9.9
70.07397	2.0
71.01341	0.9
71.04973	3.6
71.06912	2.7
72.04503	5.4
72.08144	7.2
73.02908	5.9
73.05260	1.4
73.06542	2.6
74.06078	2.3
74.09705	14.6
79.05485	3.2
82.06564	2.2
83.01328	2.3
83.04968	23.9
83.06081	2.1
83.08611	4.8
84.04488	20.5
84.04959	1.8
84.08130	20.6
85.02895	12.7
85.04063	0.9
85.06529	4.8
85.07652	7.6
86.06065	3.6
86.09695	3.4
87.04450	2.7
87.05575	1.9
87.09234	6.5
88.07619	3.3
95.04959	1.1
97.02869	2.6
97.06502	3.0
98.21500	1.6
99.05553	3.1
101.06025	2.3
111.03376	1.2
111.03729	1.1
111.04426	7.8
111.05548	3.0
111.08058	3.3
111.09209	2.0
112.03947	1.1
112.05072	2.6
112.07590	100.0
112.09501	6.2
112.11213	1.0
113.07111	4.7
128.06181	1.8
129.01816	27.0
129.04500	1.7
129.05463	9.4
129.06956	1.8
129.09106	2.7
129.10234	5.2
129.99504	0.8
130.02124	1.2
130.03244	1.0
130.04968	2.7
130.06531	13.3
130.08624	36.3
130.15898	49.0
149.68111	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Santene
Peak:m/z	Relative Intensity
53.03931	3.5
54.03464	1.0
55.05507	5.5
56.05020	2.6
57.07073	5.7
57.07320	1.3
57.56466	0.8
62.30728	0.7
65.03927	1.5
67.05495	18.0
68.04998	1.5
69.07040	2.6
69.57053	3.6
69.57475	2.3
70.06564	0.9
79.05481	11.2
80.05011	4.3
81.04526	2.9
81.07047	100.0
82.07381	1.5
83.06089	4.5
85.48882	0.9
93.07036	3.8
95.04960	16.6
95.06058	0.8
95.08595	22.9
96.04481	3.5
96.08941	1.0
97.07644	1.9
100.02469	1.3
100.89568	0.8
105.04510	0.9
105.07010	1.4
107.05001	0.9
107.06055	2.3
108.05730	1.6
108.09332	0.9
112.03936	4.2
118.03516	0.8
121.10146	1.7
123.04422	7.6
123.05539	12.9
123.06406	1.3
123.08113	14.0
123.09140	1.5
123.10800	2.0
123.11693	39.3
124.03940	14.4
124.07653	1.2
124.08684	6.1
124.12031	2.0
140.03412	2.9
144.62712	0.8
144.95581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.096
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03935	3.6
53.73785	1.3
54.03454	2.0
55.01856	4.0
55.05503	17.0
56.05016	11.0
58.06588	10.5
59.06112	41.5
65.03930	4.5
67.02965	1.5
67.05488	3.0
68.05015	48.5
69.03416	23.2
69.07065	5.2
69.59727	6.6
69.60154	5.1
70.06570	11.8
70.37926	1.4
79.01856	3.2
79.05482	35.6
80.05003	11.0
81.04537	3.2
81.07036	19.2
82.04846	2.0
82.06567	14.7
83.04968	29.6
83.06083	12.9
83.08615	4.2
84.04491	4.2
84.06415	2.8
84.08138	3.3
85.07655	13.0
86.08443	16.7
86.79202	1.4
91.05468	26.3
92.05788	1.3
95.04949	1.3
95.06078	2.2
95.08588	2.9
96.06860	3.3
97.02885	11.1
97.03956	2.2
97.06519	10.6
97.07632	8.1
97.10132	1.6
98.06040	4.2
98.07984	2.1
98.21378	2.8
99.05614	1.7
99.09211	3.2
101.50507	1.5
102.02252	1.5
105.07022	12.4
107.04969	1.7
107.06079	3.1
107.08577	100.0
108.04468	20.1
108.08141	2.8
108.08923	4.2
109.06493	8.8
109.07624	29.1
110.08411	1.5
113.04273	2.8
119.06060	3.1
125.02380	8.9
125.03474	3.1
125.04267	11.4
125.06009	10.6
125.07118	28.0
125.08231	3.2
125.09631	75.2
125.10604	2.4
126.05521	9.5
126.06637	6.0
126.09170	11.0
126.10268	49.6
129.08574	1.4
135.44464	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0804
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02386	0.6
51.11719	0.5
53.03941	3.5
54.03451	1.9
55.01859	0.7
55.05502	10.3
56.02179	0.5
56.05026	3.8
57.07061	2.7
65.03925	1.9
67.05494	54.7
68.05009	2.5
68.05826	1.2
69.07056	1.8
70.06573	1.6
71.62479	0.8
71.62869	0.8
77.03915	0.9
78.03459	0.8
79.05483	9.3
80.05007	11.5
80.06268	0.7
81.03409	5.1
81.04528	5.2
81.07045	53.5
81.56141	0.7
82.01450	0.6
82.05315	1.0
82.06591	0.6
82.07372	1.7
83.04969	0.6
83.06087	7.7
89.12678	0.6
91.05480	2.0
93.07027	9.0
93.80598	0.6
94.07887	0.6
95.04955	43.9
95.06084	1.9
95.08591	52.1
96.04486	8.1
96.05271	1.6
96.08937	1.7
97.07639	4.8
100.02467	3.1
105.04467	1.3
105.06998	4.2
106.07307	0.8
106.97346	0.6
107.04973	1.7
107.06065	5.4
108.05725	7.4
111.05573	1.9
112.03953	10.8
118.03513	3.5
121.06525	1.8
123.04446	10.5
123.05553	33.5
123.08064	100.0
123.11676	14.9
124.03935	35.4
124.05890	1.6
124.07571	2.4
124.08643	14.2
129.46655	0.7
139.05013	1.2
140.03383	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	123.0805
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
53.03936	1.2
55.05502	2.6
67.05498	14.7
68.05807	0.5
69.03390	0.4
70.77180	0.9
77.03876	0.5
79.05487	8.2
80.04996	1.4
80.05844	0.4
80.06282	0.8
81.07051	8.7
83.06089	1.3
90.63789	0.4
91.05474	1.0
93.07033	3.7
95.04965	5.7
95.08596	35.1
96.04462	1.4
96.08936	1.2
97.07613	0.5
101.63705	0.4
103.05451	1.5
105.04482	0.9
105.07021	12.0
107.04945	6.4
107.06028	0.7
108.05724	41.6
109.06063	2.1
112.03946	1.5
121.05640	0.6
121.06496	7.7
123.04422	1.6
123.05546	4.9
123.08053	100.0
123.11661	2.3
123.98154	0.4
124.03953	7.4
124.08367	4.9
125.05958	1.2
127.81618	0.4
140.03419	0.7
143.46764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0804
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03928	7.5
54.03455	3.7
55.01862	1.4
55.05502	16.4
56.05026	7.5
57.07064	2.8
58.06584	2.3
65.03926	4.0
67.05492	71.4
68.05016	6.9
68.05826	3.0
69.03423	1.4
69.04551	1.6
69.07043	1.6
70.06593	2.9
71.62444	1.4
78.03419	1.3
79.05482	14.8
80.04998	27.5
80.06251	1.9
81.03422	3.1
81.04526	12.9
81.07039	67.0
82.05305	1.5
82.06573	1.7
82.07373	2.2
83.06084	15.1
89.77865	1.0
91.05471	3.1
93.07024	15.0
95.04955	52.3
95.06098	3.0
95.08588	97.5
96.04471	20.8
96.05154	1.7
96.05302	1.4
96.06383	1.1
96.08134	2.2
96.08926	4.1
97.07635	8.3
100.02457	7.2
103.05505	1.2
105.04524	1.1
105.06983	11.7
107.04946	3.5
107.06057	10.6
108.05708	27.9
108.48216	1.0
111.05576	3.7
112.03937	22.9
112.04633	1.8
118.03516	5.6
121.06526	4.1
123.04447	20.2
123.05554	82.8
123.08069	100.0
123.11669	24.1
124.03930	85.9
124.07598	6.7
124.08683	24.5
124.09525	0.7
124.11995	1.2
139.05013	3.0
140.03377	16.7
140.04303	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0804
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03925	5.0
55.01863	2.1
55.05500	17.2
56.05027	2.7
57.07065	2.3
65.03920	2.5
67.05494	76.0
68.05010	3.2
68.05818	1.1
69.03422	1.1
69.07047	1.3
70.06557	1.1
70.60675	3.0
75.09759	0.9
79.05485	9.9
80.05003	9.1
81.03399	2.7
81.04530	3.2
81.07040	51.7
82.07342	1.3
83.05670	1.0
83.06099	6.0
91.05479	4.5
93.07016	14.5
94.07325	1.2
95.04954	29.0
95.06011	1.2
95.08589	100.0
96.04483	7.1
96.08097	1.3
96.08920	4.1
97.07645	4.3
99.47075	1.1
100.02484	2.5
105.04481	1.5
105.07015	9.4
107.04956	2.8
107.06048	5.0
108.05716	16.9
108.06402	1.3
111.05582	2.7
112.03960	12.0
113.38894	0.9
118.03572	2.3
120.94794	1.0
121.04071	1.1
121.06516	2.3
123.04443	11.9
123.05550	25.5
123.08064	76.6
123.11681	19.1
124.03023	2.1
124.03932	39.8
124.07566	3.3
124.08677	10.6
137.84782	1.2
139.05035	2.0
140.03386	4.8
140.63715	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0804
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03930	5.0
54.03469	1.9
55.01863	1.6
55.05502	18.6
56.05019	3.9
57.07051	2.6
59.53437	1.1
62.77413	1.4
65.03925	3.3
67.05493	76.1
68.05013	2.1
68.05833	1.4
69.51083	9.6
77.03899	1.5
79.05483	15.4
80.05003	7.2
80.06264	1.6
81.03417	1.5
81.04527	6.3
81.07042	53.6
82.07372	2.0
83.06083	9.9
87.49275	1.2
91.05484	3.3
93.07027	13.3
95.04948	22.5
95.06075	1.2
95.08591	100.0
96.01723	1.1
96.04497	5.3
96.08917	2.6
97.07666	4.2
100.02476	1.8
105.03426	1.5
105.06987	6.0
107.04968	3.1
107.06077	5.5
108.05721	15.0
108.06322	1.5
112.03978	4.9
118.03507	2.9
120.13843	1.2
121.06533	2.7
123.04447	8.6
123.05560	18.7
123.08072	60.2
123.11670	19.2
124.03928	19.8
124.07781	1.7
124.08707	12.5
140.03413	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	123.0804
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
53.03936	2.3
55.05492	2.1
56.05012	0.9
67.05495	16.2
68.05010	1.0
69.03421	0.9
71.21243	1.5
71.25928	0.5
79.05479	7.4
80.05005	2.1
80.06261	1.0
81.04533	1.3
81.07043	9.0
83.06098	2.6
88.91191	0.5
91.05466	0.8
93.07027	3.9
95.04958	8.5
95.08595	33.6
96.04469	1.9
96.08917	1.2
97.07634	1.2
97.36314	0.5
97.47639	0.5
100.02496	0.7
103.05463	1.3
105.07023	12.7
107.04948	6.8
107.06064	1.5
108.05730	44.1
109.06059	1.9
111.05549	0.5
112.03986	2.5
118.03544	0.9
121.06486	8.4
123.04444	1.9
123.05550	7.3
123.08055	100.0
123.11658	2.7
124.03935	7.4
124.08484	4.2
140.03419	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
56.96565	2.1
58.99856	2.7
61.02914	1.5
64.69096	1.1
69.03406	1.2
70.83559	3.0
70.83918	2.0
70.86508	1.1
77.00922	1.5
82.01431	19.7
91.53719	1.6
100.02466	100.0
101.00864	9.3
101.02535	3.4
103.93634	1.1
105.53495	1.2
118.03503	71.6
119.01900	31.2
119.03658	2.0
120.02000	1.3
123.04092	2.1
123.05563	1.6
131.01892	1.6
137.02939	11.0
141.05090	1.5
142.03522	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19991	0.9
58.99843	1.2
70.59233	3.6
75.72636	1.0
82.01443	20.9
84.99715	1.1
87.13533	0.9
100.02473	100.0
101.00874	7.7
101.02562	8.0
118.03514	66.9
119.01913	51.3
119.03590	5.7
123.04034	2.8
126.36640	0.9
137.02942	21.2
141.05067	1.6
142.03465	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	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19919	0.9
57.03433	1.7
58.99842	2.1
62.74246	1.0
69.45176	9.2
69.45573	2.2
73.06256	0.8
77.00931	0.9
78.52948	1.0
80.05000	1.1
82.01434	12.6
85.02922	1.3
88.02684	1.3
100.02473	100.0
101.00881	2.8
101.02586	3.0
107.18556	0.8
118.03512	78.4
119.01907	18.2
119.03639	2.8
123.04042	2.9
123.05531	2.3
124.03930	6.1
131.01895	1.8
137.02934	7.0
139.91646	0.9
141.05074	4.2
142.03479	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	119.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
59.06119	5.6
65.03918	2.0
70.61211	1.7
74.06073	0.9
77.03497	1.6
77.03940	0.5
79.05486	5.3
87.05573	1.5
91.05468	60.1
92.05782	1.7
93.07046	3.2
95.04948	1.5
103.05444	6.7
104.06239	7.9
109.06512	0.8
115.05444	3.0
117.07005	13.4
119.08562	100.0
120.05555	2.0
120.08108	1.1
120.08890	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	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03939	1.9
59.06117	4.6
65.01808	0.5
65.03931	2.6
69.55457	3.7
74.06057	1.0
75.05608	0.5
77.03514	1.2
77.03918	0.6
78.04653	0.6
79.05489	5.4
87.05573	1.5
91.05470	70.0
92.05797	2.0
93.07033	4.4
95.04951	2.3
98.20737	0.9
102.04697	0.7
103.05444	7.5
104.06236	7.6
109.06477	1.0
115.05444	3.4
117.07005	18.3
117.07848	1.1
119.04910	1.7
119.08566	100.0
120.05605	2.9
120.08883	3.2
120.39302	0.5
121.06510	0.8
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
51.02345	0.4
53.03928	1.0
56.05024	0.4
60.04519	1.1
69.71007	2.2
74.06067	0.6
75.32533	0.3
79.05472	0.5
91.05469	5.4
93.07034	9.2
95.04964	1.4
98.21473	0.7
103.05453	43.3
104.05771	1.1
118.06543	0.8
119.07279	0.5
119.89491	0.4
120.05588	1.4
120.08088	100.0
121.06495	0.7
121.07700	0.5
121.08424	3.1
138.21608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.1
53.03940	5.6
54.03455	2.6
55.01876	2.8
55.02079	0.6
56.19602	0.5
65.03928	28.4
66.04233	0.6
66.33103	0.5
67.05486	1.5
68.05009	1.1
68.99776	1.7
69.49335	4.9
70.85651	0.5
71.01339	1.2
77.50851	0.5
79.01831	1.7
79.05482	7.7
81.04528	5.3
81.05801	0.7
82.05304	6.5
91.05466	18.6
92.05756	0.7
93.03389	0.7
93.07028	31.4
94.06538	2.5
94.07380	0.9
95.04953	11.1
95.06039	5.3
98.21514	1.0
103.05447	11.3
105.03394	0.7
105.04498	3.5
105.07008	10.4
106.07844	0.7
107.04777	0.6
111.04419	22.5
119.08569	2.0
121.02850	100.0
121.03950	21.8
121.06484	24.4
121.07497	1.3
121.10110	12.5
122.03156	3.7
122.06049	3.2
122.07124	32.4
122.09633	1.6
123.08067	1.3
133.07628	0.6
136.00719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.76007	0.4
53.03941	1.3
57.01783	0.4
59.06116	6.1
60.04520	0.5
65.03928	1.4
70.60555	1.1
70.60907	0.6
74.06077	0.9
77.03522	0.7
78.04707	0.6
79.05482	4.8
87.05573	1.2
91.05466	51.4
92.05798	1.4
93.07012	3.2
95.04955	1.7
96.05303	0.5
103.05447	6.9
104.06242	6.2
109.06538	0.6
111.20211	0.4
112.42873	0.4
115.05441	2.6
117.06993	12.5
118.07343	0.6
119.04908	1.1
119.08559	100.0
120.05609	0.7
120.08089	0.6
120.08885	3.8
121.06471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
57.07061	0.6
59.06119	9.2
60.04499	0.8
62.45663	0.6
65.03944	2.6
70.07192	3.0
74.06072	1.8
77.03516	0.7
78.04694	0.7
79.05485	5.6
87.05576	1.3
89.00766	0.5
91.05470	72.2
92.05802	1.9
93.07020	3.7
94.45620	0.6
95.04949	2.1
101.76311	0.5
103.05460	6.0
104.06239	6.8
105.04501	0.8
109.06505	1.3
115.05428	2.7
117.07002	16.5
119.04901	2.4
119.06816	2.2
119.08566	100.0
120.05579	2.0
120.08116	0.9
120.08903	3.5
121.06477	0.9
122.11189	0.6
127.27472	0.7
139.16090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03934	1.0
56.05016	0.6
59.06117	22.0
60.04523	4.6
61.02916	1.2
63.55090	0.6
63.74440	0.6
65.03915	3.2
70.67679	1.1
70.68069	1.4
74.06062	2.9
75.05582	0.9
77.03512	1.3
79.05491	5.8
85.07671	0.9
87.05241	0.5
87.05586	5.2
91.05470	75.1
92.05812	1.4
93.07014	4.1
95.04948	2.6
96.05267	0.7
103.05454	8.1
104.06236	6.4
109.06505	0.9
115.05447	2.5
117.07001	18.1
119.04925	1.7
119.06053	2.1
119.08567	100.0
120.05569	3.1
120.08128	1.6
120.08900	4.0
127.61337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03941	0.9
56.05030	0.9
58.82124	0.6
61.55313	0.7
65.03935	8.5
74.06046	1.4
77.03535	3.7
79.05476	2.0
91.05470	100.0
92.04971	1.3
92.05804	3.5
93.07014	1.1
95.04981	1.1
96.04459	0.9
103.05464	3.1
104.06274	1.7
109.06478	1.2
117.07014	5.3
118.59757	0.8
119.04929	30.0
119.06027	5.3
119.06796	1.3
119.08565	29.0
120.04438	2.2
120.05553	7.8
120.08064	1.8
120.08883	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03933	0.8
57.79074	0.6
63.77529	0.6
65.03932	9.2
71.04956	0.6
71.62917	0.8
74.06051	0.6
79.05488	1.8
91.05470	100.0
92.04991	0.8
92.05824	3.4
95.04982	1.0
96.04498	1.1
101.41847	0.6
102.09197	0.6
103.05450	2.0
104.06220	1.9
109.06505	1.4
115.05494	0.8
117.06994	4.7
119.04932	37.7
119.05987	2.6
119.06774	1.3
119.08556	29.4
120.04462	1.0
120.05530	3.9
120.08073	1.6
120.08901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27799	0.7
56.05005	1.0
65.03933	8.2
66.68873	0.8
71.62864	1.0
71.63240	0.9
74.06065	0.8
79.05471	1.8
88.47897	0.8
91.05469	100.0
92.05000	1.8
92.05779	2.7
93.07023	0.9
95.04924	1.1
95.56222	0.8
96.04475	1.4
103.05444	2.5
104.06237	1.6
115.05387	1.0
115.84962	0.8
117.07037	4.1
119.04916	39.0
119.06026	5.9
119.06797	1.4
119.08557	29.2
120.04463	1.3
120.05549	7.0
120.06380	1.3
120.08072	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0863
Annotation	Betaine
Peak:m/z	Relative Intensity
50.79221	0.2
58.06588	17.9
59.04974	0.4
59.07371	20.8
60.07693	0.3
60.08145	0.4
68.02897	0.2
69.03410	0.5
69.36375	1.3
69.36802	0.7
70.06567	0.5
72.08122	0.8
72.16708	0.2
87.04452	1.8
98.21510	0.3
100.07606	1.0
118.08635	100.0
118.12280	1.5
119.08994	2.0
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
52.14415	3.4
55.69874	3.1
59.06124	19.4
60.04507	6.8
61.70550	2.7
69.03407	11.4
70.39372	3.4
71.02970	4.1
71.26219	4.8
71.26544	3.6
78.52946	4.8
82.01405	4.6
87.05563	5.6
91.05458	10.9
93.07068	3.3
100.02449	19.1
101.00872	11.1
101.02540	10.7
102.02208	7.0
103.02418	3.6
116.05730	7.5
118.03504	14.4
119.01898	100.0
119.03620	9.8
120.01993	6.1
121.03506	3.8
137.02939	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51676	0.9
53.00301	0.3
53.03945	1.0
53.95032	0.2
55.01870	2.7
55.05506	1.5
56.96558	9.9
57.03434	2.2
58.06597	0.8
58.99847	3.1
59.04991	0.9
59.06116	3.5
59.52196	3.0
59.99952	0.4
60.02199	0.3
60.04532	0.4
60.52065	0.4
60.95855	0.6
60.99616	0.3
61.02918	0.4
62.02457	0.3
65.03942	0.4
65.52184	2.6
66.02234	0.3
66.04712	0.7
67.01866	0.3
67.05499	2.0
68.02641	0.3
68.52715	2.6
68.95274	0.5
69.03421	86.1
69.07063	1.9
69.52388	0.3
69.84212	0.8
69.84623	0.9
70.03762	3.0
70.99844	0.3
71.01316	0.3
71.02978	8.1
71.04984	2.0
71.53035	0.9
71.95275	0.4
72.02858	0.4
72.04528	0.5
72.08156	0.5
72.52959	1.0
73.02929	0.6
73.05301	0.4
73.08491	0.6
74.06077	1.1
74.52705	0.9
74.53078	0.3
74.97604	0.3
75.01013	0.3
75.02747	0.3
77.00879	2.9
77.53236	0.4
78.00993	0.3
78.52950	8.8
79.01858	0.5
79.03008	1.3
79.05479	3.1
79.51920	0.4
79.52823	0.9
79.53741	0.9
80.03023	0.5
80.03500	3.0
80.53569	0.8
81.03402	0.7
82.01432	16.7
82.02671	1.0
82.53771	0.4
83.00780	0.4
83.01458	1.7
83.03436	0.4
83.04980	0.4
83.52305	0.3
83.53522	1.1
84.01155	0.7
84.01565	0.9
84.03349	1.5
84.52953	2.3
85.01402	0.5
85.02906	0.8
85.06540	0.3
85.51928	0.3
85.53728	6.5
86.03825	1.1
86.52692	1.8
86.53600	0.2
87.01883	0.3
87.02792	0.3
87.04470	0.4
87.05583	1.2
87.53474	16.5
88.02680	0.6
88.03539	2.6
88.53339	0.7
89.00839	0.3
90.01556	0.3
90.03745	0.4
91.02322	1.5
91.03194	0.6
91.05467	4.6
92.01287	0.4
92.52699	1.0
93.02061	0.6
93.03841	0.6
93.53466	15.7
94.03535	2.6
94.52407	0.6
94.53345	0.6
94.54247	2.7
95.01952	0.8
95.04367	0.3
95.04967	0.7
95.52335	1.1
95.54129	0.4
96.01539	0.4
96.02407	0.4
96.04337	0.3
96.52556	0.4
96.53094	1.4
96.53996	2.0
97.02287	0.7
97.02890	1.7
97.04567	0.4
97.06509	0.5
97.99217	0.5
98.01228	0.5
98.06033	1.0
98.52674	1.5
98.54501	2.5
98.97596	1.0
99.04232	3.2
99.53486	0.8
99.54314	0.3
99.81544	0.3
100.02470	100.0
101.00863	4.2
101.02540	12.0
101.07944	0.5
102.02235	5.8
102.02905	0.6
102.04231	0.4
102.05521	0.4
102.09167	0.6
102.53991	1.5
103.02424	3.3
103.03062	0.4
103.04079	0.5
104.02520	0.8
104.52854	1.0
105.00356	0.4
105.02075	1.0
105.02856	0.4
105.04260	0.9
105.53636	2.1
106.02817	0.3
107.04945	0.4
107.53193	11.0
107.55011	0.9
108.02557	0.4
108.03268	2.5
108.04790	0.9
108.53074	0.5
109.55099	0.6
110.04814	0.4
112.07648	0.4
114.04016	0.4
114.53945	0.3
115.01163	1.1
115.02411	2.4
115.03900	0.7
116.00200	0.4
116.52918	0.3
116.53710	6.6
116.98537	0.3
117.02159	0.3
117.03821	1.4
117.53604	0.6
118.03507	78.9
119.01906	32.2
119.03571	11.2
119.06079	0.4
119.08568	0.8
120.01983	1.9
120.03233	3.4
120.03962	0.5
120.10158	0.4
121.03465	3.4
123.04015	2.4
125.54192	0.7
126.03999	2.3
127.02401	0.3
128.01979	0.5
128.04544	0.7
129.03981	1.2
131.00075	0.3
131.01888	3.0
132.01942	0.4
132.05043	0.5
133.02399	0.6
133.03452	10.0
134.01315	0.3
134.03568	1.2
135.03215	0.8
135.05055	0.6
136.04488	0.3
137.02942	20.0
138.03033	0.8
138.04008	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0755
Annotation	cis-3-Hexenoic acid
Peak:m/z	Relative Intensity
53.00302	0.6
53.03934	1.7
54.03465	0.6
55.01868	5.7
55.05252	0.6
55.05503	6.3
56.03772	1.5
56.05027	5.2
57.03432	10.2
57.04554	1.7
58.02959	0.7
59.03735	6.8
59.04995	1.8
59.06124	1.1
60.04515	1.4
67.05495	4.6
68.05019	0.6
69.03431	2.8
69.04550	1.2
69.07059	100.0
70.02945	0.6
70.06583	8.1
70.07392	2.8
70.67133	1.4
71.04983	1.5
72.04510	0.8
72.08147	1.0
72.93772	0.6
73.02899	0.8
73.06544	17.6
73.07664	6.2
73.93810	0.4
74.06066	3.4
74.93818	2.2
75.05181	0.5
75.05586	0.9
79.05481	15.0
80.05009	0.9
80.05825	0.9
82.05312	1.5
85.02911	0.4
86.06065	0.6
87.00803	0.6
87.04459	1.7
87.05561	0.5
87.09206	0.6
88.07608	1.2
92.94876	0.6
95.04958	0.7
97.02885	0.7
97.03995	0.9
97.06519	56.1
97.07618	2.4
98.04781	0.8
98.06040	3.3
98.06848	1.8
115.03925	3.0
115.04964	2.5
115.06796	0.5
115.07562	9.1
115.08817	3.2
115.09483	2.5
116.07057	1.1
116.08122	1.2
123.92926	0.3
124.18324	0.3
132.55687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
51.02382	3.0
53.03708	2.5
53.03939	35.9
55.01842	1.4
55.33413	1.6
59.06113	13.7
60.04504	1.2
60.94944	1.2
71.61498	2.2
72.04514	1.5
72.08127	4.1
75.05589	2.2
76.07629	1.5
76.93352	2.4
77.03522	1.9
77.03909	5.2
78.09354	1.2
79.05479	3.4
81.03401	3.3
83.52394	1.2
87.05598	2.0
91.05466	43.9
95.04954	64.2
96.05312	1.4
103.05440	4.8
104.06232	3.7
105.04498	16.8
115.05371	1.4
117.07005	7.9
118.06522	100.0
119.04894	2.9
119.06817	2.7
119.08563	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	113.0598
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
54.03466	13.8
54.05141	1.4
55.01856	5.3
55.05501	9.8
55.07544	1.5
56.05030	3.6
57.03434	8.1
57.07068	57.2
58.06590	8.3
58.07409	1.9
60.04519	14.2
60.28623	1.4
64.55069	1.3
65.03922	6.4
67.01858	3.1
67.05495	100.0
68.05025	10.9
69.04533	1.4
69.07037	3.5
69.53812	8.3
69.54230	4.4
70.02943	3.4
70.06595	7.3
71.04981	23.1
71.06100	3.6
72.04499	6.6
72.93780	17.9
73.05283	4.3
74.04811	8.3
79.05490	2.4
82.53111	1.4
83.04970	6.0
83.06091	22.1
85.06531	35.9
85.07662	3.4
86.06067	7.5
87.05585	1.7
90.00143	1.6
90.94801	7.4
93.04408	1.4
95.01299	4.7
95.04958	42.9
95.06057	14.2
95.08590	3.2
95.42335	1.7
96.00858	1.9
96.04453	3.1
96.06860	1.9
96.08115	6.3
97.07642	2.3
98.21529	2.9
98.50786	2.0
99.00648	3.2
113.00043	1.9
113.02353	83.5
113.03503	4.8
113.05986	40.3
113.07113	17.5
113.09660	2.5
113.10745	7.2
113.96358	2.1
114.02737	2.4
114.05528	3.3
114.06621	4.9
114.09142	10.7
114.10291	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	111.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94861	1.0
55.05504	27.4
56.05016	1.1
57.07055	1.3
58.06333	1.3
58.06591	15.5
59.50047	1.0
66.18423	0.9
67.05479	2.2
68.16727	1.1
69.03371	1.1
69.04524	2.0
69.07058	100.0
70.06584	6.7
70.07381	2.5
71.10074	1.2
71.10428	2.1
80.85759	1.0
82.05307	1.4
83.06094	5.8
83.08578	1.1
88.44714	0.9
95.04946	1.1
97.00977	1.9
97.34795	1.0
99.51287	1.5
108.51746	1.0
111.04405	2.4
111.05570	15.2
111.06325	2.2
111.07388	1.2
111.08064	2.0
111.09189	22.5
112.03973	2.4
112.05063	2.3
112.07600	5.5
112.08731	6.4
112.11233	4.7
115.96428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1114.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03400	5.1
85.02875	4.0
89.03899	1.6
91.05452	3.8
95.01301	5.3
95.04934	1.5
97.02901	6.4
103.05455	2.1
105.03349	1.8
107.06358	1.0
109.02862	1.7
114.28279	1.0
117.03387	1.0
119.04950	1.6
121.02831	4.6
128.13786	1.2
129.03285	2.2
131.04875	3.2
133.02832	1.8
134.48470	1.1
135.04384	1.9
145.02840	6.5
147.04379	4.1
149.02318	1.9
151.03909	1.5
153.01797	2.5
157.02892	2.6
159.04416	1.8
161.02327	3.0
162.96643	1.2
163.03831	3.1
165.01848	1.7
169.02927	1.3
171.04369	1.6
173.02307	6.1
175.03920	5.6
177.01762	2.6
179.03397	2.1
181.01210	1.0
185.02286	5.4
187.03891	7.8
189.01828	2.6
191.03349	5.2
197.02496	1.7
199.03920	1.3
201.01836	12.1
201.05484	1.4
203.03398	6.1
205.06560	1.6
205.84088	1.0
207.02744	1.3
211.03972	1.1
213.01828	7.9
213.05226	1.2
215.03381	6.0
217.01329	1.8
217.04846	2.9
219.02872	4.4
221.06062	1.2
229.01312	15.5
231.02861	22.5
233.00638	1.1
233.04401	1.8
234.31079	1.1
237.05397	1.8
239.03445	1.5
241.01312	7.0
243.02901	3.6
245.06177	1.6
247.02371	16.9
247.07613	1.6
249.05630	1.3
255.08047	1.4
257.00806	10.9
257.06012	1.6
259.02341	35.9
260.02615	1.3
261.03915	4.6
263.03653	1.4
263.06760	1.0
265.04797	1.4
267.02756	1.4
269.04324	1.1
271.02350	3.5
273.03827	1.8
275.01770	16.0
275.06915	2.7
276.02570	5.1
277.03363	53.2
281.04379	2.7
285.00424	5.2
285.05420	2.4
287.02032	2.4
287.06915	1.6
289.03479	4.7
291.02740	1.8
291.06067	1.1
293.04150	1.7
297.00180	1.2
297.05460	1.5
299.01746	5.2
299.06967	1.8
300.99774	1.1
301.05090	5.1
302.00470	5.2
303.01312	100.0
303.06723	2.8
304.01712	2.5
305.04391	3.8
307.02173	1.7
307.05923	2.1
309.03915	3.2
313.04959	2.6
315.01215	6.9
315.06659	4.2
317.04404	2.6
319.02429	1.6
319.05914	4.4
321.02325	7.7
323.01852	1.9
323.05524	2.0
325.04776	1.6
327.01501	3.7
328.99103	2.1
329.04010	3.6
330.04956	1.4
331.02234	2.5
331.05908	5.0
333.03732	4.9
335.01636	2.0
335.05377	2.1
337.03348	7.8
339.01242	4.3
340.99387	1.4
341.04285	4.2
342.04947	1.2
343.05811	3.5
344.07092	1.4
345.03275	5.1
345.07471	1.6
346.04459	1.7
347.01773	2.6
347.05396	4.3
348.02530	1.5
349.03421	4.7
350.04214	1.6
351.01157	3.3
351.05231	3.4
352.99136	1.4
353.03284	3.4
355.00775	3.5
355.05322	1.7
357.03922	6.2
358.04578	1.8
359.05695	5.1
361.03293	4.4
361.07303	1.5
363.01208	5.7
363.05032	2.7
365.02780	7.5
367.00598	2.4
367.04678	1.8
368.01514	1.3
369.03482	4.0
371.05521	5.6
373.02945	7.5
374.03989	2.1
375.00784	2.5
375.05273	6.5
376.02039	2.2
377.02646	7.1
379.00388	2.2
379.04755	2.5
381.02753	2.7
382.04181	1.2
383.05411	2.5
384.02527	1.2
385.03354	7.1
387.00577	1.5
387.05286	10.9
389.02850	9.2
389.06863	1.3
390.03391	1.9
391.00616	3.3
391.04529	3.5
392.01160	1.3
393.02026	5.6
394.03098	1.2
395.04337	2.4
397.03558	6.6
398.03955	2.5
398.99710	3.5
399.04959	5.3
401.02744	7.8
402.03497	2.1
402.99951	2.5
403.04877	11.4
404.05206	1.9
405.02158	10.3
405.06778	1.0
406.03232	1.5
406.99454	1.3
407.04282	3.2
409.02206	3.5
411.04718	1.9
413.02881	10.9
414.03754	2.8
415.04550	10.5
416.01056	1.2
417.02100	4.0
417.06674	2.1
418.02859	1.7
419.04300	7.0
420.00739	1.3
421.01703	10.5
422.02307	1.6
423.04846	1.2
425.02853	3.9
426.03079	1.4
427.04889	6.6
429.01813	8.8
430.02722	1.5
431.04407	13.9
433.01300	5.1
433.06699	1.4
434.03049	1.6
435.03571	3.6
439.04434	2.6
441.02170	7.1
442.03244	2.0
443.04141	13.0
445.00980	9.4
446.02332	1.5
447.04071	9.0
449.01456	3.7
451.03735	2.1
453.02039	6.8
455.04041	8.1
457.01477	10.9
458.02832	1.5
459.03513	16.1
460.04434	1.6
461.05383	3.2
462.01370	1.5
463.02890	3.3
465.01187	1.3
467.03818	6.7
469.01218	7.9
470.02164	2.1
471.03577	18.5
473.00034	6.1
473.05615	3.2
475.03049	6.5
479.03671	1.8
481.03357	3.4
483.03644	7.8
485.00198	6.9
487.03021	21.9
488.03378	1.8
489.05023	8.6
491.02841	2.7
493.02319	1.5
495.03137	4.0
497.00790	10.1
499.02939	13.1
500.03635	1.5
501.03976	6.4
503.02039	6.4
505.03513	4.8
507.03250	1.6
509.05560	1.4
511.02899	8.6
513.00208	8.2
515.02393	14.5
516.02118	1.7
517.04120	5.4
519.04919	2.4
523.03314	3.4
525.02496	4.0
527.01642	6.5
529.03644	3.9
531.00775	5.5
533.03308	9.0
535.05188	2.9
537.01996	1.9
539.02454	3.9
541.00232	3.1
543.01929	4.2
545.03662	7.9
547.05200	15.4
549.05945	4.7
551.03809	4.0
553.04144	3.2
555.01837	2.6
557.03424	4.0
559.01306	3.6
561.02930	4.9
563.03870	2.6
565.06110	36.1
567.03290	2.1
569.03436	3.7
571.03394	2.6
573.02704	11.2
574.02637	1.4
575.03796	4.7
577.06158	5.9
579.03162	3.6
581.03473	4.4
583.08002	5.1
585.03851	2.1
587.04395	1.5
589.06213	6.1
591.03979	26.2
593.05023	6.6
597.02313	2.2
599.04132	2.1
601.05493	1.6
603.04224	7.1
605.05389	3.5
607.06433	4.9
609.04822	20.7
611.05444	4.8
613.04187	1.8
615.03662	5.6
619.03424	1.4
621.05255	12.4
623.06104	1.5
627.06012	11.1
629.05817	2.1
631.06818	3.2
633.05078	9.3
635.06665	1.4
637.03052	2.1
639.05695	4.2
643.06812	1.5
645.06195	3.7
647.06201	3.4
649.06726	1.4
651.06042	9.7
655.04883	2.6
657.05298	3.5
661.07440	3.9
663.06226	3.1
665.06885	1.5
669.06384	7.4
673.05396	1.7
675.05664	5.7
679.08826	3.2
681.07001	2.8
683.08722	1.7
687.05835	9.6
693.07098	12.7
701.09485	4.2
705.07196	13.5
710.95898	2.1
711.08136	34.6
713.09576	1.4
723.08209	24.8
724.08722	1.5
729.08521	4.0
741.09393	17.1
759.10260	54.6
760.10455	3.9
777.11755	6.8
1031.08569	1.6
1061.09766	3.0
1079.12451	8.7
1097.12097	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	111.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04456	1.2
53.03932	5.7
54.67910	1.4
55.01864	14.3
55.05503	52.2
56.05016	6.4
56.96287	1.8
56.96557	29.7
57.03424	6.7
57.93570	1.9
58.99837	2.0
60.04529	3.3
65.03935	16.9
65.52184	2.5
67.00172	1.7
67.03002	1.2
67.05492	9.0
68.02636	2.8
68.05009	6.1
68.99770	1.9
69.03423	22.3
69.04532	7.2
69.07043	4.3
69.59771	5.3
69.60201	6.1
70.01289	1.4
70.06583	27.4
70.94242	1.7
71.02969	3.7
71.05006	1.9
72.04506	1.6
72.52941	1.8
74.02950	1.8
76.51587	14.8
76.53364	1.7
77.00887	2.6
77.01323	2.8
78.52953	4.7
79.01845	4.7
80.03481	2.9
81.03419	6.6
81.04533	1.9
82.01429	4.5
82.05312	10.2
82.06563	15.3
83.03468	7.8
83.04972	55.7
83.06078	18.6
84.04481	2.3
84.08118	6.5
85.52113	8.2
85.53725	5.7
86.52679	2.7
87.00451	5.7
87.04267	3.4
87.47942	1.4
87.50587	6.5
87.53468	5.1
87.54330	14.2
88.00466	29.4
88.01857	2.4
88.02322	10.1
88.04138	16.6
88.19704	1.6
88.50368	1.6
89.00244	6.1
89.03435	1.9
90.01521	1.5
91.05432	1.7
92.03963	1.8
93.03374	3.0
93.07034	2.5
94.04059	2.1
94.06550	10.7
94.54220	2.2
95.02437	15.6
95.04915	1.8
96.06825	3.3
96.53986	1.7
96.54890	2.6
97.00990	47.4
97.02863	2.8
97.04633	2.8
97.51183	2.0
97.52084	2.7
98.00748	7.8
98.97561	3.6
99.02055	1.6
99.51257	5.0
100.02465	27.3
100.54214	1.5
101.02612	2.5
102.02222	3.2
103.02426	3.5
106.01527	4.6
111.00798	4.6
111.04427	92.2
111.05549	40.1
111.06291	1.9
111.08066	7.7
111.09187	72.0
112.03912	6.2
112.05077	100.0
112.07584	39.5
112.08748	2.4
112.09505	2.7
115.02387	1.7
115.96424	15.3
116.97198	4.2
116.98600	7.6
117.95967	3.8
118.03506	20.5
119.01897	3.4
119.03622	2.4
120.03236	3.5
121.03446	3.2
126.03996	1.8
129.03932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01843	3.3
81.03396	1.9
85.02896	1.5
95.01325	1.5
97.02878	2.3
105.03335	1.3
109.02875	3.1
121.02937	1.0
125.02306	1.4
131.04910	1.6
133.57364	0.9
137.02255	1.9
143.03407	4.1
145.02827	1.5
147.04457	1.7
153.01813	20.9
153.02974	2.1
161.02370	1.2
163.03909	4.4
165.01823	1.3
173.02379	1.5
175.03923	2.7
177.01793	1.4
179.03331	2.3
185.02376	2.3
187.03894	4.1
191.03383	3.1
193.01332	3.2
195.02803	7.3
201.00240	1.2
201.01701	5.4
202.02693	1.5
203.03365	4.0
207.02917	2.0
213.01788	2.3
214.74788	0.9
215.03354	3.2
215.37598	1.0
219.02928	5.7
225.05556	1.2
227.03477	1.2
229.01265	5.8
230.01944	1.6
231.02834	18.4
231.07993	1.8
233.04344	1.3
237.05429	3.0
241.01309	2.3
243.02931	1.5
247.02292	9.9
247.07651	2.2
248.02989	1.2
249.05338	1.8
253.04953	5.7
254.31332	1.0
257.00806	3.8
258.01593	1.4
259.02338	25.9
259.04800	1.8
265.04962	3.7
269.04266	1.0
273.00266	1.2
273.05664	1.3
275.01794	12.1
276.02576	24.7
277.03333	56.6
280.04050	1.0
281.04413	8.8
283.06000	3.2
285.00256	3.1
287.01953	1.4
287.07263	1.5
289.05173	1.5
291.03049	1.4
291.06305	1.9
293.04364	3.5
295.05951	1.2
297.03922	1.8
299.02014	1.2
299.05307	2.0
300.99789	1.4
301.04385	0.9
302.00531	3.5
303.01273	43.5
303.06668	2.5
304.01572	1.2
305.04391	4.0
309.03918	8.2
311.05432	3.4
313.04059	1.0
315.01297	2.7
315.06528	1.4
317.04401	1.7
319.02573	2.0
319.06097	3.4
321.04291	5.9
325.03497	1.8
327.01413	1.9
327.04889	12.7
328.99353	1.6
329.04156	1.6
331.05884	5.1
333.03848	4.3
333.07401	1.2
335.05426	3.0
337.03391	10.3
339.01312	1.7
339.04852	4.6
341.02966	1.4
343.05832	2.5
345.03912	1.5
347.01733	1.3
347.05560	4.0
349.03366	7.2
349.07004	1.6
351.05026	2.8
353.02963	2.9
355.04596	7.4
357.03699	1.4
359.05499	3.6
361.03299	4.4
363.04807	3.4
365.02841	19.6
366.03253	1.8
367.04407	5.0
369.03571	1.2
371.05432	2.8
373.03421	3.3
374.04071	1.4
375.05029	5.3
377.02802	5.3
377.06821	2.4
379.04602	5.8
381.02304	3.8
383.03940	14.1
385.03519	1.2
386.04193	1.5
387.05054	7.9
389.02554	6.5
389.06943	1.1
390.03528	1.3
391.04874	5.1
393.02225	11.3
394.02756	1.5
395.03812	7.4
397.03049	2.0
399.04709	3.3
401.02585	1.8
403.04523	6.7
404.04938	1.2
405.01614	5.2
406.02795	1.5
407.04028	3.6
409.01514	5.7
411.03476	10.9
413.03726	1.5
415.04504	6.9
416.05173	1.1
418.02957	1.6
419.04016	7.5
421.01694	11.1
422.02716	2.8
423.03537	5.7
426.02209	1.9
427.03165	3.2
429.02322	2.3
431.03925	4.1
433.01483	3.2
433.06247	1.8
435.03653	4.7
437.01093	9.6
439.02905	100.0
440.03284	4.4
443.03967	7.4
445.05817	1.5
446.02698	1.2
447.03714	6.8
449.01251	3.2
451.02823	16.1
453.05359	1.8
455.02756	4.5
457.03906	4.6
459.03424	4.6
461.05270	6.6
463.02628	10.4
464.03564	1.1
464.99582	6.1
467.02209	12.9
469.03970	36.8
471.03552	8.8
473.05380	1.1
475.03043	5.4
477.00638	2.0
477.04123	1.4
479.01947	1.8
479.06573	1.5
481.03848	3.9
483.05637	1.9
485.03275	1.3
487.02832	5.9
489.04443	13.5
491.01666	2.3
493.03915	21.9
495.01834	33.5
499.02786	3.9
505.03964	50.8
506.04276	1.7
507.05490	13.3
511.05032	1.7
517.04004	49.0
523.05090	15.0
525.06403	1.9
535.05011	77.3
536.05365	1.6
552.97931	1.9
553.06055	26.4
561.02698	1.9
571.06970	2.8
579.03729	2.5
597.05035	12.2
615.06213	12.8
633.07233	11.7
767.05865	1.5
873.07648	5.6
917.05902	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	110.0603
Annotation	3-Hydroxy-2-Methylpyridine
Peak:m/z	Relative Intensity
53.03932	0.4
54.04282	0.2
55.01872	0.7
55.05252	0.2
55.05505	2.2
56.05015	0.2
56.96284	0.2
56.96559	3.5
57.03428	0.6
57.49269	0.1
59.04980	0.2
59.52188	0.2
60.04523	0.2
61.02913	0.2
62.78116	0.1
63.49014	0.1
65.03931	1.1
65.52175	0.1
66.02293	0.1
66.04705	0.1
67.04252	0.2
67.05492	0.5
67.51063	0.1
68.00243	0.3
68.02641	0.4
68.95274	0.2
68.99852	0.1
69.03426	1.0
69.07043	0.2
70.06580	0.2
71.02644	0.1
71.02975	0.6
71.20760	0.2
71.94086	0.2
71.95271	0.1
72.04501	0.3
72.93761	0.1
73.50540	0.1
74.02922	0.1
74.06065	0.2
74.97591	0.3
74.99819	0.4
75.01054	0.2
75.53482	0.4
76.03572	0.1
76.51564	0.4
77.00809	0.6
78.52967	0.5
79.01846	0.4
79.03069	0.2
79.04243	0.2
79.05488	0.3
79.52802	0.1
80.03485	0.4
80.05004	6.4
81.03398	0.6
82.01436	0.6
82.03725	0.4
82.05309	0.2
82.06580	0.9
83.00759	0.1
83.03448	0.2
83.04478	0.1
83.04974	2.2
83.06073	0.5
84.01559	0.3
84.04472	0.1
84.42044	0.1
84.52940	0.1
84.53973	0.2
85.03001	0.1
85.53717	0.2
86.03468	0.2
86.50617	2.2
86.52692	0.2
86.99295	0.1
87.00448	1.4
87.00933	0.1
87.02441	0.2
87.03751	0.2
87.04266	4.3
87.52573	0.1
87.53482	0.7
87.54332	0.6
88.00484	0.6
88.02335	0.2
88.04128	0.2
89.00760	0.1
89.02596	0.5
89.03453	0.3
90.01579	0.3
91.02329	0.4
92.04993	1.6
93.04555	0.1
93.05183	0.3
93.05773	4.0
93.07021	0.2
95.51126	0.3
95.54154	0.1
96.00990	0.3
96.04221	0.3
96.04788	0.5
96.53989	0.2
97.00993	0.8
97.02859	0.3
97.99161	0.1
98.01311	0.3
98.03083	1.5
98.03999	0.2
98.52677	0.5
98.53245	0.2
98.54526	0.9
98.55084	0.2
98.97571	0.5
99.02041	0.2
99.04294	0.2
100.02458	2.8
100.54250	0.3
101.02551	0.3
102.02211	0.3
102.04231	0.1
103.02410	0.2
105.00353	0.4
105.02116	0.2
107.01841	0.1
107.03614	0.3
107.53196	0.2
107.55023	0.4
109.05247	0.3
110.06030	100.0
111.00780	0.1
111.04422	2.3
111.05589	0.7
111.06367	2.1
111.09172	0.2
112.96725	0.6
113.96383	0.7
115.02398	0.2
115.96430	0.2
116.00211	0.2
116.98611	0.3
117.03982	0.2
118.03498	2.0
119.01931	0.5
119.03629	0.2
120.01974	0.2
120.03251	0.2
121.01628	0.3
121.03435	0.2
123.01432	0.2
128.98566	0.3
129.03989	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.9
53.38904	0.8
55.01871	1.2
55.04732	0.7
55.05503	10.2
56.98634	0.7
58.17039	0.8
65.03931	8.0
67.05494	100.0
68.05019	4.0
68.05831	3.3
68.40838	0.7
69.03424	1.4
69.04545	3.0
69.07054	5.0
69.38179	7.7
72.93779	1.8
77.99915	2.0
79.05479	17.3
80.06313	0.7
81.03406	20.6
81.07043	54.0
82.06557	3.7
82.07364	1.3
86.00684	4.9
86.50603	2.8
87.00452	37.7
89.50737	0.8
90.94829	0.8
91.04890	1.0
91.05470	18.0
93.07645	0.7
94.03587	1.4
94.04171	20.7
94.07816	1.1
96.00974	6.7
98.51235	5.0
106.97664	0.8
107.04951	8.7
107.08577	4.0
109.02847	6.5
109.06501	74.8
109.07597	9.1
109.10137	66.9
110.06094	3.5
110.07187	6.7
110.10464	2.9
111.04413	2.4
111.96870	1.5
112.96669	1.4
113.96380	14.5
119.06073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51654	0.4
53.03933	0.3
54.03468	0.3
54.04259	0.3
55.01859	0.8
55.05501	1.2
56.05035	0.9
56.96554	1.6
57.03430	0.2
57.52422	0.2
58.99863	0.6
59.52184	0.6
60.04515	0.4
65.03934	0.5
65.52186	0.3
66.49151	0.3
66.52954	1.5
67.02966	0.9
67.05495	0.6
67.49168	0.3
67.51033	0.3
68.02631	0.3
68.05016	0.8
68.52705	0.2
69.03162	0.6
69.03426	1.0
69.04538	0.7
69.07068	0.5
69.35797	0.2
70.02955	0.3
70.06588	1.9
70.16012	0.9
71.02984	0.8
71.07359	0.8
71.53099	0.1
71.94093	0.7
72.04508	5.3
72.93787	0.7
73.02723	0.2
73.04881	0.2
73.05280	1.6
73.52852	0.2
74.06075	1.7
74.99834	1.6
75.53490	9.5
76.03542	1.2
76.51586	1.4
76.53355	0.5
77.00901	1.0
77.02943	0.2
77.50085	0.8
77.99936	0.9
78.02843	0.3
78.03739	3.4
78.52954	1.1
78.53815	0.6
78.99949	0.2
79.01837	0.8
79.03077	0.2
79.03628	0.2
79.05476	0.3
80.03513	0.3
81.03426	1.0
81.04516	0.3
82.01434	2.2
82.03747	0.8
82.05309	0.2
82.06561	0.9
83.01517	0.3
83.04987	1.5
83.06100	1.3
84.00352	0.9
84.08163	0.4
84.52958	0.4
84.54013	3.3
85.04073	0.4
85.52100	0.8
85.53812	0.4
86.03497	0.3
86.50614	9.5
86.53577	0.7
86.99355	0.2
86.99904	0.4
87.00459	16.9
87.04273	100.0
87.50498	1.1
87.53444	0.5
87.54343	14.5
88.00474	5.2
88.02361	1.0
88.03243	0.8
88.04125	5.8
89.54500	0.3
89.95144	0.2
90.53520	0.2
90.94815	0.4
94.06538	1.0
95.51125	1.6
95.53213	0.2
95.54072	0.5
96.00977	3.0
96.02091	0.3
96.02952	0.5
96.04319	0.5
96.04791	13.0
96.06862	0.5
96.50957	0.2
96.53055	0.3
96.54870	1.8
97.00998	7.5
97.02861	1.1
97.03830	0.3
97.04613	0.4
98.01399	0.7
98.03471	0.2
98.04382	0.2
98.51243	1.5
98.52673	0.6
98.54502	0.5
98.55060	8.4
99.04317	0.2
99.05128	1.6
99.51274	0.9
99.53994	0.4
99.54952	0.4
100.02476	13.4
101.02534	1.6
101.05834	0.4
102.02239	1.2
104.01933	0.4
105.00341	0.5
106.01527	0.7
107.54959	0.3
107.55632	0.4
108.51826	0.2
108.95898	0.2
110.06038	2.8
110.07201	2.1
110.07955	0.5
111.04442	2.4
111.05544	0.9
111.08039	0.4
111.09187	5.2
112.96718	3.1
113.96389	5.1
113.97147	0.4
115.01141	0.4
115.03546	0.7
115.68111	0.2
115.96429	2.6
116.97221	0.7
118.03512	10.3
119.01879	0.3
119.03618	1.1
120.03269	0.6
121.55228	0.2
123.04058	0.5
127.03576	0.5
129.04010	0.2
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
53.03699	1.2
53.03939	17.0
55.05504	10.7
56.05007	1.1
65.03917	4.1
67.05495	100.0
68.05018	6.1
68.05828	1.8
69.04536	3.5
69.07044	4.9
69.83165	2.4
69.83575	4.2
72.93757	1.4
77.99918	1.3
79.05477	12.3
81.03406	23.2
81.06571	2.0
81.07041	36.2
82.06557	3.7
86.00674	3.3
86.50614	4.8
87.00450	57.4
90.73059	1.0
91.05447	2.5
94.04163	3.6
95.51139	3.1
96.00973	12.4
98.20735	1.4
98.51231	4.8
107.08562	3.4
109.02854	8.9
109.06500	19.5
109.07626	11.2
109.10136	66.7
110.06046	6.7
110.07153	11.2
110.10480	2.8
111.96880	2.0
113.96372	18.3
120.52261	1.0
124.85488	1.2
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
53.03938	18.2
54.04279	1.0
55.01859	2.0
55.05260	0.9
55.05505	9.9
55.14101	1.1
56.05015	1.0
56.76692	0.9
58.93106	1.0
61.77124	0.8
63.87986	0.9
64.55408	0.9
65.03934	5.5
66.49139	1.5
67.05496	100.0
68.05021	10.2
68.05814	3.1
69.04555	5.1
69.07062	5.3
71.61395	1.8
72.93775	3.2
74.99792	1.3
77.99927	4.0
78.89087	0.9
79.05058	1.1
79.05487	15.4
80.05031	1.3
80.06252	1.2
81.03407	39.9
81.04513	1.1
81.07044	40.7
82.03722	1.6
82.06564	8.1
83.06122	0.9
86.00704	5.7
86.50604	7.0
87.00455	83.3
90.94803	1.9
91.05465	5.0
92.04986	1.6
94.04174	3.4
95.04958	1.0
95.51099	1.1
96.00970	14.7
98.51244	9.3
107.04913	2.2
107.08591	4.0
109.02858	12.3
109.05782	1.5
109.06504	27.2
109.07629	30.9
109.10142	73.8
110.06037	12.5
110.07177	10.7
110.10484	2.8
111.61353	0.9
111.96873	3.6
112.96689	3.2
113.96381	25.9
129.97911	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02370	0.3
53.03942	0.9
53.13777	0.2
55.01860	0.8
61.92897	0.2
65.03931	10.7
67.05496	2.5
71.62625	0.4
71.97474	0.2
77.03901	0.4
79.05481	16.4
80.05007	0.4
80.05824	0.4
90.04667	0.3
91.05469	100.0
92.05792	2.2
92.06264	2.6
95.04955	2.6
103.05466	0.4
105.07017	38.1
106.04159	0.9
106.07340	1.1
107.04941	5.9
107.08578	68.5
108.04494	0.2
108.05679	0.3
108.08177	0.4
108.08890	2.1
109.06501	23.6
110.06834	0.5
119.05195	0.5
119.06051	10.0
124.05191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0493
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01595	0.6
51.02364	2.0
52.72507	0.3
53.03938	19.1
55.01858	1.1
63.68069	0.3
63.83430	0.3
65.53022	0.3
70.67613	1.1
77.03909	3.6
79.05477	64.8
80.05013	0.7
80.05814	1.9
81.03403	1.7
91.05447	3.6
95.04948	34.8
96.05281	1.0
105.04497	7.7
105.07024	0.7
107.04934	100.0
107.08565	1.9
108.04586	0.6
108.05240	3.0
109.06521	0.6
112.77122	0.3
118.06529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03944	1.3
53.41393	0.6
55.01862	0.6
64.00731	0.5
65.03929	10.2
67.05486	3.0
69.55150	4.1
77.03931	0.6
79.05482	15.9
80.05809	0.5
80.20739	0.4
90.04673	0.5
91.05468	100.0
92.05792	1.9
92.06300	2.6
95.04954	3.3
98.21471	0.9
103.05481	0.5
105.07020	33.3
106.04157	1.1
106.07356	1.2
107.04945	9.1
107.08578	60.0
108.08907	1.8
109.06499	22.3
119.06065	8.8
124.05199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.3
51.02372	1.6
51.85468	0.3
52.16538	0.3
53.03940	14.1
54.04286	0.3
55.01867	0.8
56.05011	0.2
65.03916	1.7
67.04241	2.3
67.05499	0.6
70.73911	0.9
77.03925	2.6
79.05483	59.9
80.05004	5.7
80.05757	1.4
80.09916	0.3
81.03402	1.1
81.04476	0.3
91.05473	11.0
92.06261	0.4
92.84496	0.3
93.05775	0.9
95.04956	29.2
96.05294	0.7
105.04498	6.5
105.07021	3.2
107.04941	100.0
107.05968	4.6
107.08572	6.6
107.31736	0.3
108.04468	2.4
108.05309	2.7
108.08099	3.3
109.06509	2.1
114.14513	0.3
119.06008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02906	4.9
77.03929	2.5
79.05482	82.7
79.59224	1.2
80.05842	1.3
81.03402	25.7
81.07046	100.0
83.04967	14.3
83.08605	20.5
85.02896	24.2
85.06528	6.9
91.03940	8.8
91.05470	95.3
92.05769	1.6
93.07029	81.1
94.04212	1.7
95.01340	1.8
95.04958	35.7
95.08593	72.8
96.08895	2.3
97.02880	19.1
97.06516	35.3
97.10152	18.5
99.04462	4.3
99.08072	4.2
101.02345	1.9
103.05435	3.3
105.04495	2.9
105.07018	73.5
107.04939	24.5
107.08578	46.0
107.09283	2.8
109.02874	4.5
109.06502	10.5
109.10139	71.9
110.10511	1.6
111.04436	2.9
111.08061	12.5
113.05984	8.4
113.09612	3.8
115.03899	1.4
115.05426	4.2
116.04737	1.6
116.06192	1.8
117.06998	26.6
119.04908	2.6
119.08568	53.7
121.06491	8.8
121.10129	25.1
123.04414	1.6
123.08072	10.3
123.11690	4.8
125.09618	18.7
127.03907	7.8
127.11163	1.5
128.06224	3.3
129.05502	7.4
129.06985	13.4
131.04991	1.6
131.08551	32.6
133.06482	4.8
133.10112	43.9
135.08026	11.0
135.11664	18.0
137.05954	2.1
137.09592	30.1
139.11128	3.5
141.06981	4.3
142.07689	2.2
143.08534	11.2
143.10655	2.0
145.04916	5.0
145.06477	5.6
145.10103	30.5
147.04391	1.8
147.08035	5.8
147.11662	21.1
149.09599	45.2
149.13240	8.0
151.11166	5.7
151.14861	1.7
153.09076	2.4
155.08536	6.5
155.10670	5.2
157.08647	2.8
157.10109	10.6
159.08014	1.7
159.11668	24.1
161.09622	7.3
161.13239	12.4
163.11157	23.1
163.14784	2.2
165.09096	4.8
165.12808	2.3
167.08565	3.3
167.10727	2.0
169.10065	9.0
169.12192	1.5
171.10173	5.1
171.11690	9.4
173.04471	2.9
173.09561	3.0
173.11729	21.7
173.13249	8.4
175.11127	7.3
175.14874	2.7
177.12700	8.2
179.10767	1.6
179.14267	11.7
181.12184	2.3
183.11673	6.2
185.11821	1.6
185.13281	4.8
187.11197	4.6
187.13051	1.2
187.14771	2.1
189.11205	8.6
189.12761	3.4
191.10648	1.5
191.14346	1.5
193.12254	3.6
195.11766	2.2
195.13824	5.0
197.13266	5.3
199.13286	4.6
199.14873	2.6
201.12787	2.7
203.14336	2.5
205.12334	2.5
207.13773	2.0
211.13206	2.1
215.14394	2.4
215.17897	1.9
217.15979	1.8
221.15218	1.6
223.13281	4.7
223.98871	1.4
227.12776	10.5
229.14317	39.1
229.19464	3.5
231.13942	1.5
231.17464	1.5
239.17961	4.3
243.15968	4.0
245.13745	1.7
245.18991	2.2
247.20554	4.5
249.14784	1.7
253.14445	1.8
253.17995	6.1
255.15590	7.1
257.18988	13.1
267.15823	3.2
269.17380	4.4
273.18448	9.6
274.19244	1.6
275.20023	65.0
276.20331	2.2
283.15558	2.6
285.13339	2.2
285.16916	1.8
291.19519	23.4
293.21136	7.5
297.16672	1.7
301.16547	2.0
313.21585	1.8
321.24219	3.1
325.20245	3.2
331.22632	4.3
347.22025	2.1
349.23688	71.6
350.23941	2.3
351.21576	1.4
365.23175	12.0
383.24158	9.8
399.23672	3.6
407.27850	5.5
409.25601	2.4
421.29880	2.4
423.27481	4.0
445.29517	5.1
449.29184	1.8
503.26978	2.4
503.33594	23.1
511.33963	2.9
517.35443	4.5
527.37512	7.5
529.35046	4.4
541.35284	1.6
543.36786	4.3
559.35980	1.7
575.35223	1.8
593.36743	2.1
623.42896	25.0
639.42517	4.2
641.43915	4.0
647.37073	2.4
673.42853	2.1
691.44543	1.5
712.96887	1.6
838.37793	1.5
954.22931	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	1.5
51.02375	5.3
53.00296	0.6
53.03938	48.8
53.46346	0.4
54.04266	0.6
55.01861	2.9
60.04491	0.6
68.99792	0.6
71.11230	0.7
71.11555	0.7
77.03916	10.0
79.05482	5.1
81.03404	5.7
95.04952	100.0
96.05289	2.1
103.05446	3.1
105.03378	86.4
105.04456	23.6
105.07008	15.0
106.03720	1.7
106.06552	0.4
109.22430	0.4
118.06511	0.9
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	Choline
Peak:m/z	Relative Intensity
54.49373	0.2
55.99140	0.2
58.06586	2.4
59.07368	0.6
60.08155	28.7
61.08488	0.4
68.04992	0.2
69.03421	1.3
69.75916	1.3
69.76238	0.4
75.29164	0.2
86.06049	1.2
87.04453	3.6
87.04965	0.3
95.83537	0.2
98.21119	0.7
99.61757	0.2
101.74306	0.2
104.10730	100.0
105.11073	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03899	0.5
79.05478	0.7
81.03401	7.4
85.02882	3.8
89.03902	0.5
89.36295	0.4
91.05450	2.2
93.03382	0.6
95.01315	8.8
95.04925	1.4
97.02873	6.2
97.28961	0.5
99.04493	0.5
101.02345	1.6
103.05432	2.2
105.03342	1.4
106.44917	0.4
107.04908	0.9
109.02843	1.2
115.05426	1.0
117.03349	1.1
118.04093	0.8
119.01309	0.5
119.04922	2.2
121.02818	2.6
121.81644	0.5
123.04388	0.8
124.39188	0.5
125.02322	0.5
129.03345	1.3
131.04900	3.3
133.02811	1.4
135.04401	1.6
137.02301	1.1
137.05878	0.5
139.03828	0.6
144.05664	0.5
144.17938	0.4
145.02771	2.0
146.03656	0.7
147.04372	5.0
149.02267	1.0
151.03874	1.4
153.01807	1.0
155.04828	0.5
157.02821	3.1
159.04387	2.0
161.02312	3.3
161.05991	0.6
163.03896	4.0
169.06358	0.7
171.04379	1.8
173.02330	2.7
174.03050	1.2
175.02457	0.7
175.03879	7.3
177.01793	1.7
177.05324	0.7
179.03355	2.5
183.04424	0.8
185.02325	3.2
185.05847	0.6
185.49255	0.5
187.03874	11.1
189.01799	1.4
189.05385	1.1
189.06915	0.7
189.21844	0.5
191.03386	5.4
192.04140	1.5
193.01320	1.0
193.06490	0.6
195.02785	1.6
195.04416	0.6
197.05951	0.8
199.03848	2.0
200.04533	0.6
201.01843	4.6
201.05463	0.7
202.02502	2.0
202.07811	0.6
203.03354	11.8
205.01236	0.9
205.04817	0.6
205.06549	0.7
207.02820	1.8
207.04428	0.5
209.05994	0.7
211.03917	1.6
213.01808	6.6
213.05321	1.1
215.01433	0.8
215.03352	10.6
215.08383	0.7
216.04060	1.9
217.01312	1.0
217.04878	1.5
218.02187	0.6
219.02850	5.1
219.07950	1.1
220.03558	0.8
221.04181	0.5
221.06075	0.9
223.02072	0.8
223.03958	1.0
223.07433	0.6
225.05354	0.8
227.03326	1.9
228.03918	0.6
229.01294	5.1
229.04837	1.9
230.01973	2.4
231.02840	43.4
231.07901	1.6
232.03613	3.1
233.04237	0.8
237.05409	1.5
239.03398	2.1
240.04077	0.9
241.01263	5.3
241.04782	1.0
243.02809	2.4
243.08141	0.6
244.03668	1.1
245.04086	2.5
247.02316	8.7
247.07492	1.4
248.03056	0.9
249.05464	1.9
251.03294	1.0
253.04892	1.7
255.02713	2.2
255.08112	1.0
256.03610	1.4
257.00754	5.6
257.04266	1.9
258.01505	1.4
258.04752	0.6
259.02332	54.2
259.07529	1.6
260.02756	2.3
261.03549	1.0
261.05804	0.7
263.03467	0.9
263.06854	1.4
265.04913	2.6
267.02740	1.3
268.03558	0.5
269.01294	0.5
269.04092	2.8
271.02359	1.5
271.07654	2.4
273.00247	1.5
273.03842	1.6
273.05524	0.9
273.08997	0.7
275.01788	16.3
275.06924	1.8
276.02585	17.8
277.03366	100.0
278.03406	2.6
279.03229	0.9
279.06464	1.6
280.03696	0.8
281.04343	3.3
281.13742	0.6
282.04868	0.7
283.02322	2.0
284.03113	0.9
285.00247	3.5
285.03860	1.8
286.06375	0.6
287.01846	2.3
287.06949	3.5
289.03381	2.3
289.04449	2.0
289.08035	1.1
291.03067	0.9
291.06329	3.3
292.03632	0.5
293.04282	2.7
294.05093	0.6
295.02371	2.5
295.06009	1.8
297.03995	3.1
298.04584	1.0
299.01865	0.9
299.06882	1.9
300.99631	2.1
301.04703	1.8
301.08298	0.9
302.00461	1.8
303.01291	40.3
303.06424	3.9
304.01605	1.6
304.07159	0.6
305.01199	0.8
305.04367	4.1
305.07681	0.9
307.02170	1.6
307.05963	2.5
308.03027	1.0
309.03958	3.5
311.01883	1.2
311.05743	1.6
313.03601	3.3
313.08304	0.6
315.01251	1.8
315.06534	3.4
317.04327	3.0
317.07938	1.3
318.05191	1.0
319.05875	4.3
320.02917	0.6
321.03983	3.7
322.04169	0.9
323.02258	2.7
323.05594	1.5
324.02475	0.6
325.03229	2.4
326.03659	0.6
327.01328	0.8
327.06058	3.2
328.99185	1.7
329.04297	3.6
329.08029	1.0
330.04895	1.0
331.02405	0.8
331.05908	5.3
332.06561	0.7
333.03842	5.1
333.07520	1.4
334.04669	1.8
335.01636	1.8
335.05472	3.7
337.03253	4.7
338.04141	1.0
339.01120	2.0
339.05469	1.9
341.03915	2.1
342.04926	1.0
343.01596	0.8
343.05975	5.2
344.06738	1.0
345.03766	3.9
345.07498	1.6
346.04724	1.1
347.01721	1.1
347.05420	5.4
349.03305	4.7
349.07007	0.9
350.04037	0.8
351.01172	2.6
351.05099	4.1
353.02750	4.7
354.04898	1.1
355.05994	3.9
356.06396	1.1
357.03757	3.1
357.07571	1.4
358.04633	0.9
359.01633	0.8
359.05460	5.3
360.02353	0.9
360.06281	1.0
361.03259	5.3
361.07169	1.2
362.04041	1.4
363.01236	2.1
363.05255	3.4
365.02747	5.9
365.06433	0.6
366.03467	1.0
367.00531	0.8
367.04623	2.9
369.03568	1.9
369.07761	1.0
370.04599	0.9
371.01535	0.8
371.05493	7.2
372.06235	1.3
373.03217	3.5
373.07184	1.6
374.04071	1.4
375.01010	0.8
375.04987	5.1
376.05905	1.2
377.02759	5.0
377.06689	1.5
378.03253	0.8
379.00351	2.6
379.04657	4.8
380.01303	0.6
381.02643	3.9
381.07510	0.6
382.04062	0.9
383.05057	3.9
385.02997	3.3
385.07135	1.3
386.04065	1.5
387.04904	9.5
388.05750	1.4
389.02493	7.3
389.06717	2.1
390.03583	2.2
391.00458	1.6
391.04730	4.5
392.01077	0.8
393.01602	2.6
393.06628	0.9
394.02896	0.8
395.04498	3.1
397.03140	2.2
398.03476	1.5
399.04987	6.7
400.05609	1.5
401.02631	2.4
401.07370	2.8
402.03439	1.1
403.04465	10.0
404.05377	1.2
405.01843	4.1
405.06445	1.6
406.03174	0.7
407.00128	3.5
407.04889	3.4
408.00571	0.9
409.01764	4.2
409.06351	0.6
410.03152	0.5
411.04651	5.8
413.02078	4.0
414.03482	1.7
414.99942	0.7
415.04413	7.8
416.05014	2.1
417.01053	3.5
417.05972	4.1
418.02942	1.2
418.99747	0.6
419.03879	6.9
420.04855	1.0
421.01132	1.3
421.05685	1.8
422.02454	1.2
423.04684	4.7
425.01138	1.3
425.06244	1.3
426.02832	1.4
427.04044	8.8
428.04730	1.4
429.01926	2.5
429.06107	3.5
430.02945	1.4
431.04099	7.0
432.05048	0.9
433.01627	3.5
433.05817	2.6
434.02634	0.6
435.03546	4.3
436.04538	0.9
437.00812	6.0
438.02560	0.6
439.03149	12.4
440.04370	1.8
441.02267	1.8
441.06543	1.2
442.03018	1.4
443.03882	8.1
444.04739	1.1
445.00821	1.7
445.05408	4.7
446.02396	1.7
447.03354	5.0
447.59497	0.7
448.04520	0.7
449.04919	2.0
451.02686	6.9
453.00839	7.6
453.05347	3.0
454.02417	0.8
455.03418	7.7
456.04401	1.8
457.06003	4.1
458.02319	0.7
459.03357	9.8
460.04181	1.1
461.05679	4.4
462.01514	0.7
463.02698	8.3
464.03424	1.2
465.00449	2.1
465.04980	2.5
466.02548	0.9
467.02890	3.9
468.03894	1.0
469.04236	8.8
470.02658	0.7
471.03101	7.5
472.03818	1.2
473.05551	6.0
474.05237	0.7
475.01865	3.5
476.03284	0.6
477.04895	7.9
479.02252	3.2
480.03516	0.6
481.04376	4.8
482.02667	1.1
483.03146	5.1
484.04013	0.9
485.05539	5.4
486.05859	0.7
487.02481	7.1
488.03540	2.5
489.04712	8.5
491.02435	2.8
491.06110	2.1
493.03973	9.5
495.01785	4.8
496.03082	0.9
497.04852	3.8
499.02756	5.8
501.04596	9.2
502.05099	1.4
503.02335	3.3
503.05453	2.9
505.03970	14.6
506.04584	0.9
507.05930	10.2
509.03796	4.2
510.04636	0.7
511.03711	2.7
512.03156	1.3
513.04578	4.8
514.05298	0.9
515.02472	3.3
516.02826	0.9
517.03906	13.8
518.04425	2.0
519.05701	28.8
520.05725	1.3
521.03339	11.4
522.03564	0.9
523.05096	20.0
524.05011	1.1
525.04108	1.7
527.01740	2.9
528.02899	0.7
529.03900	16.7
530.04218	1.3
531.06000	11.7
533.03235	10.7
534.03650	1.7
535.05035	32.0
536.04968	1.9
537.04724	2.2
539.05176	1.0
541.04004	3.0
542.03894	1.0
543.04675	3.2
545.03204	13.7
546.03729	1.6
547.05396	22.4
548.05072	1.6
549.05023	4.7
551.04254	3.7
553.05933	5.7
555.06128	3.5
557.03070	4.1
559.04974	14.1
560.04956	1.1
561.02380	14.7
563.04602	7.5
564.04962	0.8
565.06152	6.2
567.05835	1.9
569.04022	1.3
571.05591	5.7
572.05469	0.7
573.02557	16.2
574.03174	1.4
575.04187	3.5
577.06104	8.2
579.03650	3.0
581.05609	4.7
583.05182	9.6
585.03345	3.4
587.04016	3.1
589.06158	6.5
591.03912	4.1
593.04852	1.5
595.06250	4.9
597.04303	2.7
599.04907	1.4
601.06024	18.2
602.06561	1.0
603.03876	3.4
605.06152	1.1
607.06177	2.0
609.04462	2.5
611.05121	1.4
613.06171	7.7
614.06659	0.6
615.03705	3.2
619.07220	5.1
621.03943	1.0
627.03998	3.9
629.06207	1.0
631.07050	8.8
633.04791	2.0
637.07294	0.9
639.04138	2.0
645.04785	3.0
649.08087	5.3
657.04938	3.1
663.06293	2.3
667.09058	2.5
675.06537	2.5
681.06677	1.3
685.10266	1.3
693.06555	2.2
711.07886	1.7
729.09167	4.6
747.09882	1.2
1031.09595	0.6
1049.10022	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	3.5
59.07370	1.1
60.08153	34.4
60.66157	0.1
61.00367	0.1
61.08487	0.3
62.50029	0.1
64.01879	0.2
67.58002	0.1
69.30672	1.2
69.31089	0.2
70.91145	0.1
78.57652	0.1
86.09700	0.2
87.04417	0.1
98.21485	0.3
104.10725	100.0
105.06992	0.3
105.10401	0.1
105.11040	1.4
107.39152	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	104.1072
Annotation	Choline
Peak:m/z	Relative Intensity
57.22791	0.1
58.06583	2.5
58.06861	0.2
59.07368	0.8
60.08153	27.2
61.08480	0.2
69.63647	0.6
83.25378	0.1
86.09677	0.1
89.63571	0.1
102.57615	0.1
104.10725	100.0
105.10385	0.1
105.11046	1.6
106.69286	0.1
108.23913	0.1
111.31129	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	104.1072
Annotation	Choline
Peak:m/z	Relative Intensity
55.01838	0.1
58.06585	2.4
59.07367	0.7
60.08152	28.1
61.08486	0.2
64.01888	0.5
66.82624	0.1
70.80593	0.2
70.80963	0.2
72.77776	0.1
104.10724	100.0
105.04456	0.1
105.10417	0.1
105.11046	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.6539
Annotation	Unknow
Peak:m/z	Relative Intensity
76.24246	0.4
77.03871	0.8
79.05475	5.6
81.07040	13.5
83.04906	1.1
83.08603	5.0
85.06467	1.8
87.10899	0.4
91.05453	8.7
93.07023	14.2
95.04877	1.3
95.08588	21.5
95.09153	0.8
97.06459	1.2
97.10097	1.1
99.08092	2.4
103.05390	0.6
104.06196	0.5
105.07009	22.3
107.08574	27.8
109.06489	2.0
109.10135	19.5
111.08041	2.4
113.05973	0.4
115.05374	0.8
117.06986	3.3
119.08559	42.9
121.06464	2.2
121.10118	22.3
123.08037	2.8
123.11675	5.1
125.05948	0.6
125.09538	1.7
128.06126	0.9
129.06999	2.4
131.08542	21.4
133.06461	0.7
133.10103	26.6
135.08035	5.0
135.11655	13.6
137.05881	0.6
137.09547	4.0
137.13190	1.9
139.07414	0.7
141.06871	0.8
142.07692	1.8
143.07512	0.7
143.08525	9.3
144.09274	0.6
145.10095	30.0
147.08026	2.7
147.11656	17.6
149.05907	0.6
149.09584	2.0
149.12187	0.7
149.13229	8.9
151.07396	1.2
151.11061	1.1
151.14751	0.5
153.09113	2.1
155.08505	2.0
156.09238	1.6
157.10100	11.8
158.10773	1.3
159.08055	0.5
159.11659	19.2
161.09634	3.1
161.13226	17.6
163.07434	1.4
163.11154	3.1
163.14790	14.6
165.08992	0.6
165.12680	0.6
167.08449	0.4
167.10634	0.7
168.09326	0.5
169.10109	3.1
170.10864	2.0
171.10280	0.5
171.11664	9.8
172.12375	1.5
173.09554	1.0
173.13229	29.3
175.07448	0.9
175.11072	1.5
175.14787	38.5
176.14998	0.7
176.53461	0.4
177.09029	1.5
177.12729	5.8
177.16350	8.1
179.10573	0.6
179.14272	2.6
181.08578	0.5
181.10033	1.0
181.12088	0.4
182.10817	0.5
182.78242	0.5
183.11685	5.6
184.12320	0.7
185.13223	30.1
186.13672	0.8
187.11093	1.3
187.14786	38.9
188.14986	0.6
189.09029	0.6
189.12720	7.0
189.14288	0.7
189.14670	0.7
189.16344	11.3
191.10629	0.9
191.14256	21.1
191.17892	5.1
193.15779	1.7
195.11652	2.0
195.13370	0.5
197.13223	5.3
198.13867	0.5
199.10992	1.2
199.14781	19.4
200.15205	0.5
201.12712	2.3
201.16339	29.7
202.16693	0.6
203.10532	1.1
203.14281	13.1
203.17906	14.2
205.12134	0.8
205.15822	6.9
205.19513	0.7
207.11720	1.0
207.13693	1.7
207.17332	0.6
209.13152	1.9
209.15277	1.5
211.14766	4.2
212.15552	0.6
213.12642	1.4
213.16333	14.4
215.14293	4.1
215.17868	4.1
217.12126	1.7
217.15799	6.1
217.19208	0.6
219.13705	2.7
219.17348	4.0
219.39348	0.4
221.13181	0.7
221.15248	1.9
223.14752	1.2
223.16830	1.4
225.16383	2.8
227.14311	1.0
227.17903	7.1
229.12219	0.5
229.15823	2.6
229.19397	2.4
231.13770	2.9
231.17404	3.1
231.20837	0.7
233.15344	2.1
235.13153	4.0
235.16859	1.9
237.14406	2.5
237.16608	1.0
237.18382	0.5
239.17941	3.7
241.19435	3.8
243.13599	0.8
243.17345	1.6
243.21048	0.7
245.15343	5.8
245.18900	1.3
247.16867	6.5
249.14766	12.7
249.18480	1.6
251.17857	1.5
253.19504	3.7
255.17293	0.8
255.20976	1.4
257.15222	0.7
259.16904	10.3
259.20032	0.7
259.20499	0.9
261.14737	3.5
263.16235	2.7
265.17624	0.4
267.20938	3.7
269.19061	0.8
269.22446	1.0
271.16934	0.6
271.20517	0.5
273.18417	3.8
273.22064	0.5
275.16354	1.2
277.17679	0.6
279.20926	1.1
281.22513	1.2
285.18332	1.2
287.19943	0.8
293.22501	0.7
295.20538	1.0
295.23706	0.6
297.21893	0.5
299.20016	2.3
299.23135	0.5
303.20850	0.4
305.22549	0.9
307.24142	3.0
309.25748	0.6
313.21460	0.5
317.22330	0.8
319.23767	0.8
321.22073	0.6
321.25656	0.5
323.23547	0.7
325.21606	0.8
325.25180	1.4
327.23169	0.5
335.23605	1.1
335.27090	0.5
337.25119	0.6
349.21432	0.6
349.25220	0.5
351.23148	0.6
353.24573	2.7
353.28375	0.4
363.22971	0.6
363.26721	0.9
363.30429	1.0
371.25769	4.0
373.28793	5.3
375.30356	3.6
377.31918	0.6
381.27682	2.3
381.31769	1.0
391.29880	20.7
392.30045	0.7
393.31546	6.3
395.25891	0.7
395.33203	0.7
399.28607	0.9
401.28168	1.2
409.30981	19.6
411.32449	4.4
413.26819	0.7
419.29355	16.6
421.31003	3.2
427.32706	2.8
434.73749	0.5
437.30457	43.0
438.30826	1.2
439.31995	6.7
447.29080	1.2
455.31476	100.0
456.31595	2.6
457.33203	11.4
465.29846	6.7
473.32541	59.9
474.33008	1.1
483.30975	20.6
484.31421	0.7
501.32016	44.8
502.32413	1.4
509.44366	0.5
519.33154	7.9
540.51721	0.5
542.34583	0.9
924.64099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.6383
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05479	14.6
81.03377	1.7
81.07042	30.3
83.04962	3.4
83.08610	8.8
85.06530	1.8
91.05466	25.7
93.07028	32.5
94.07371	0.9
95.04942	5.1
95.08587	43.6
97.06508	3.7
97.10155	3.4
99.08070	4.8
103.05443	1.5
105.07010	55.1
107.04926	2.3
107.08575	55.2
109.06480	5.0
109.10134	30.5
111.04415	2.1
111.08064	3.8
111.11655	1.2
113.05937	1.0
115.05434	2.5
116.06184	0.9
117.06999	10.1
119.08559	88.4
120.08842	1.2
121.06500	6.8
121.10121	33.6
121.65198	1.3
123.08051	4.2
123.11690	10.7
125.05984	1.6
125.09539	1.9
127.03878	3.6
127.07590	1.2
128.06215	4.2
129.06960	8.7
130.07834	1.3
131.08548	54.3
132.08893	1.1
133.06447	2.2
133.10106	59.6
134.10493	1.4
135.04356	1.1
135.08029	11.3
135.11673	19.6
137.05968	1.3
137.09537	5.9
137.13205	2.0
139.07527	1.5
139.11055	1.0
141.07001	2.1
142.07771	5.5
143.07463	1.7
143.08545	25.9
144.09306	3.6
145.10094	72.6
146.10443	1.4
147.08008	5.4
147.11655	33.0
149.05977	3.1
149.09624	4.8
149.13220	16.5
149.14322	1.2
151.03845	0.9
151.07545	3.1
151.11192	1.6
153.06940	1.0
153.09085	5.2
155.07411	1.2
155.08514	6.9
156.09346	5.5
157.09103	0.5
157.10098	29.4
158.10829	4.1
159.08054	3.3
159.11661	43.2
161.05908	1.1
161.09604	9.2
161.13225	31.1
163.07570	3.2
163.11143	6.3
163.14781	22.8
163.16060	1.3
165.06802	1.0
165.09042	1.6
165.12700	1.0
168.09308	1.7
169.10100	8.1
170.10847	6.8
171.07985	2.1
171.11671	22.9
172.12436	2.5
173.09612	4.1
173.13229	65.9
174.13535	1.3
175.07513	2.2
175.11310	5.2
175.14798	56.9
176.15147	1.1
177.09088	3.1
177.12737	8.3
177.16353	17.7
179.07037	1.1
179.08556	1.1
179.10738	1.3
179.14265	3.5
181.08623	1.1
181.10081	2.3
182.10788	1.8
183.11671	13.7
184.12407	2.2
185.09637	2.8
185.13225	66.2
186.13680	1.9
187.11282	4.6
187.14787	94.2
188.15170	2.7
189.09100	2.2
189.12740	16.4
189.16336	23.3
191.10626	3.9
191.14273	36.1
191.17909	14.3
193.15837	1.7
195.11664	4.7
195.13570	1.0
196.12239	1.3
197.13211	12.0
199.11115	2.0
199.14793	36.9
200.15141	1.4
201.12723	7.0
201.16335	56.0
202.16644	2.0
203.10646	10.9
203.14281	28.0
203.17902	35.6
205.12149	5.9
205.15839	10.2
205.19482	1.4
207.11879	1.9
207.13812	4.8
207.17409	2.0
209.13246	5.1
209.15291	2.0
211.14767	8.2
213.12813	2.4
213.16331	25.7
215.14301	7.6
215.17819	6.6
217.12292	5.9
217.15840	12.2
217.19395	1.6
219.11720	1.6
219.13722	8.4
219.17287	8.4
221.11472	4.6
221.15332	3.0
221.18964	1.2
223.14752	2.2
223.16797	1.6
225.12888	1.2
225.16367	6.4
227.14354	2.0
227.17892	10.3
229.12262	2.3
229.15868	5.7
229.19350	4.7
231.13846	5.6
231.17455	4.0
231.20978	1.4
233.15392	6.2
235.13194	11.6
235.16937	3.7
237.14719	3.1
237.16568	2.2
237.18463	1.2
239.17944	6.6
241.19438	5.2
243.13776	2.4
243.17339	3.4
245.15373	9.1
245.19032	2.7
247.13168	2.5
247.16916	14.1
249.14775	23.6
249.18483	3.2
251.17958	2.6
253.19464	5.3
255.17416	1.8
255.21031	2.8
257.15405	1.4
257.18893	1.6
259.16965	10.3
261.14847	4.5
261.18439	1.0
263.16150	5.5
265.14487	1.6
265.19522	1.2
267.17490	1.1
267.21054	4.0
269.18811	1.4
269.22580	1.6
273.18463	4.6
275.16455	2.0
277.19827	1.6
279.21085	2.4
281.22656	2.5
285.22174	1.0
293.22568	1.2
299.20074	1.9
303.21045	1.9
307.24136	3.0
309.25720	2.2
317.22360	1.1
319.24139	1.5
325.25027	1.3
335.23560	2.2
345.25717	1.3
349.21213	1.1
351.23114	2.3
353.24698	4.1
363.26669	1.5
363.30664	1.4
371.25702	6.9
373.28833	6.5
375.30280	5.2
381.27771	2.4
389.28339	5.6
391.29901	32.7
391.34970	1.7
392.29999	2.0
393.31448	9.1
401.28415	1.9
405.27829	3.4
407.29456	11.9
409.31046	24.9
410.30859	1.1
411.32791	5.6
417.27753	5.9
419.23999	1.9
419.29379	26.9
420.30161	1.5
421.31061	6.0
423.28662	3.7
425.30588	1.9
427.27402	1.3
427.32379	2.4
433.27255	1.3
435.28903	28.8
436.29355	1.7
437.30444	65.5
438.30786	2.3
439.32050	8.7
447.29010	2.2
451.28030	4.7
453.29953	34.6
454.29977	2.1
455.31491	100.0
456.31738	6.2
457.33157	4.9
463.28433	3.0
465.29913	9.4
469.29349	16.2
471.31039	18.3
473.32553	32.4
481.29434	13.7
483.23953	1.5
483.30933	16.6
487.30588	2.0
499.30490	72.1
500.30688	3.7
501.32095	16.3
502.32639	1.7
517.31573	16.5
519.33362	2.2
535.32471	2.8
999.61194	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5875
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02900	4.1
77.03880	1.2
79.05480	83.9
81.03407	22.1
81.07043	100.0
82.07376	1.2
83.04972	16.6
83.08606	25.3
85.02892	19.2
85.06524	5.6
87.04474	1.4
91.03972	5.4
91.05466	94.7
93.07030	82.9
94.07346	1.4
95.01323	2.0
95.04956	26.8
95.08590	61.5
97.02871	14.1
97.05894	1.7
97.06518	31.5
97.10157	19.0
99.04452	4.4
99.08077	3.9
101.02414	1.2
101.46684	0.8
103.03909	1.3
103.05447	2.4
105.04493	1.6
105.07013	69.6
107.04196	0.9
107.04371	0.5
107.04937	22.4
107.08578	51.7
109.02840	5.2
109.06514	13.1
109.10136	48.3
111.04431	2.9
111.08070	10.5
113.05992	1.6
113.09634	2.2
115.03919	0.9
115.05416	5.3
116.06231	1.3
117.07001	32.0
119.04908	1.4
119.08561	51.0
121.06492	9.7
121.10126	26.5
122.10431	1.1
123.04430	2.1
123.08057	10.1
123.11708	5.8
125.05991	1.5
125.09612	22.3
127.03896	9.9
128.06235	4.6
129.05545	4.2
129.06989	13.2
129.09074	0.9
130.07785	2.3
131.04875	1.1
131.08548	34.2
133.06477	3.6
133.10112	42.4
135.04419	0.9
135.08037	11.1
135.08965	1.1
135.11676	21.2
137.05887	1.0
137.09590	21.2
137.13272	1.3
139.07513	1.3
139.11147	3.8
141.06995	6.5
141.09088	1.3
142.07788	2.5
143.08531	11.8
143.10649	1.1
144.09283	1.0
145.04950	4.2
145.06459	3.7
145.10095	33.9
147.04428	1.2
147.08011	6.3
147.11664	22.9
149.09599	43.8
149.13240	12.7
150.10004	1.1
151.11143	6.7
153.06984	1.4
153.09109	3.6
154.07803	0.9
155.08534	6.1
155.10681	3.0
156.09244	1.0
157.06514	1.1
157.08830	1.6
157.10100	11.3
159.08038	2.7
159.11662	25.7
161.09590	6.3
161.13240	11.1
163.06030	1.0
163.11153	15.6
163.14832	1.9
165.06949	1.4
165.09097	3.0
165.12775	1.7
167.08569	2.1
167.10645	1.5
168.09340	1.0
169.10120	8.3
169.12187	1.2
171.10150	2.7
171.11687	11.2
173.04436	3.9
173.09602	2.4
173.11722	14.2
173.13260	11.4
174.47842	0.9
175.09756	1.0
175.11140	4.8
175.14845	2.1
177.12708	11.9
179.08545	1.4
179.10690	2.0
179.14258	8.5
181.10086	1.7
181.12152	1.2
183.11642	8.2
185.11823	1.1
185.13239	6.2
187.11145	4.3
187.13277	1.0
187.14818	3.2
189.11186	10.8
189.12770	3.9
191.10590	1.1
191.14317	2.1
193.12251	2.8
195.11708	2.2
195.13782	6.5
197.13205	5.7
199.11249	1.2
199.13287	2.2
199.14810	3.5
201.12737	2.6
201.16454	1.5
203.14360	1.7
205.12207	2.3
205.15874	1.1
209.13263	1.6
211.11426	1.1
211.13275	2.9
211.14970	1.5
213.12836	1.5
213.16420	2.2
215.14339	2.1
215.17949	2.2
217.15958	1.2
219.13876	2.0
223.13263	3.0
223.15167	1.0
225.12819	1.1
227.12732	21.7
227.17795	1.0
229.14290	25.2
229.19449	5.6
231.17403	1.3
233.15317	2.0
235.16953	1.6
239.17972	6.6
241.14195	1.4
243.12007	1.2
243.15938	1.7
245.13719	1.9
245.18994	1.9
247.20490	5.7
249.14819	1.3
251.16267	1.2
253.14360	2.7
253.17966	3.6
255.15730	8.5
257.18948	16.9
259.15442	1.3
259.20529	1.5
263.20099	2.3
267.15881	4.0
269.17416	23.0
273.18494	8.3
275.20026	78.7
276.20410	1.2
291.19476	14.5
293.18262	1.0
293.21078	6.2
294.62473	1.0
297.17007	1.6
299.15009	0.9
299.20114	1.8
303.16028	1.1
313.21664	2.9
321.24301	2.0
325.20990	1.6
331.22437	4.5
347.22125	2.3
349.23685	74.9
350.24445	1.2
365.23233	9.7
367.24756	4.9
373.18555	2.1
383.24127	3.3
399.23969	1.5
405.26758	1.4
407.28128	1.6
409.25912	8.7
413.21655	1.0
421.25784	1.3
423.27423	20.7
431.27985	2.8
433.30219	1.7
437.29578	1.5
439.26846	1.0
445.29532	4.1
447.31146	1.9
449.29306	1.6
451.32217	1.0
463.30103	1.8
503.33557	17.2
511.34067	2.6
515.37323	1.3
517.34985	2.4
519.33069	1.8
521.34723	1.9
525.35773	3.7
527.37524	5.6
529.35114	9.8
543.36786	31.8
544.37024	1.6
547.36145	1.2
559.36426	4.2
561.37708	3.6
567.31201	2.7
571.36499	1.1
577.37811	1.0
605.41528	2.1
623.43005	27.9
624.43091	1.4
639.42310	2.8
641.44110	8.4
647.36230	1.3
665.41730	1.0
687.40881	1.8
785.47699	1.0
1034.58398	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	103.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.1
53.03938	10.9
56.96548	4.0
58.06583	1.5
59.05816	0.8
59.06113	14.1
60.04514	3.4
60.08140	0.9
62.06075	0.7
69.03402	0.7
69.79690	3.2
69.80109	1.1
77.03913	1.2
79.01848	0.9
79.52016	0.7
80.01626	0.5
81.03418	0.7
85.02842	0.8
85.07642	0.8
86.06050	2.3
87.04438	2.0
88.02355	0.5
94.17953	0.6
95.04350	1.0
95.04955	18.4
102.04667	2.3
103.05450	100.0
104.05806	2.8
104.10716	2.1
105.04498	4.8
110.08073	0.6
114.35819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5882
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02892	3.9
77.03918	1.5
79.05482	75.4
81.03410	24.7
81.03896	1.2
81.07046	100.0
83.04960	15.9
83.08607	20.5
85.02888	13.8
85.06531	7.0
87.04516	1.0
91.03951	4.2
91.05467	80.2
92.06282	1.1
93.07030	79.8
94.07379	1.4
95.01321	1.6
95.04961	26.7
95.08593	51.6
97.02879	11.8
97.06519	28.4
97.10157	12.4
99.04446	4.2
99.08066	5.9
103.05463	4.0
105.04526	2.0
105.07014	59.9
107.04289	1.3
107.04945	16.3
107.07850	2.3
107.08578	45.2
108.08913	1.1
109.02884	4.7
109.06494	12.1
109.10136	35.8
109.85587	1.0
110.24637	1.0
111.04448	3.0
111.08060	11.2
113.05962	1.3
113.09663	2.3
115.05442	4.5
117.06998	26.9
119.08565	44.3
121.06496	9.0
121.10123	26.3
123.04453	1.3
123.08040	11.2
123.11713	5.0
125.09612	11.7
127.03926	8.8
127.07563	1.3
128.06201	3.0
129.05453	3.1
129.06995	12.4
130.07791	2.0
131.04887	2.1
131.08551	31.6
133.06470	4.3
133.10109	39.5
135.08018	10.5
135.11678	22.9
137.09590	14.0
139.11176	2.5
140.16884	1.1
141.06958	4.1
142.07742	2.1
143.08560	9.0
144.09244	1.4
145.04979	2.4
145.06480	3.8
145.10100	24.8
147.08028	4.7
147.11676	21.1
149.09599	33.6
149.13252	15.5
151.11151	6.0
153.09117	1.4
154.07793	1.1
154.67253	1.2
155.08536	4.4
155.10699	2.3
157.10101	12.0
159.08086	2.6
159.11671	20.7
161.09645	3.5
161.13179	7.0
163.11165	17.1
163.14816	1.6
165.09058	1.8
165.12787	2.7
167.10669	1.6
169.10081	5.9
171.07973	1.3
171.10284	2.3
171.11678	8.1
173.04416	4.8
173.09534	1.5
173.11705	9.5
173.13246	8.1
175.11192	5.8
175.14845	1.5
177.12743	7.0
179.08359	1.1
179.10768	1.6
179.14265	6.1
181.10132	2.5
181.12172	5.0
183.11662	6.5
185.13181	3.9
187.11172	3.1
187.13339	2.2
187.14864	3.0
189.11253	5.8
189.12743	1.9
189.16307	1.5
191.14317	1.7
193.12207	4.9
195.12000	1.5
195.13783	8.2
197.13249	4.2
199.11140	1.9
199.13182	2.2
199.14842	3.1
201.12772	2.2
201.16350	1.4
205.03722	1.1
205.12186	3.1
209.13300	1.5
211.13257	3.0
211.14954	2.0
213.14783	1.7
213.16544	1.5
215.17891	1.1
217.15852	1.9
221.13341	1.2
223.13129	2.5
227.12689	10.9
229.14293	16.1
229.19505	4.5
231.17549	1.2
233.15437	2.3
239.17929	5.2
243.15771	6.4
245.13641	1.3
245.19016	1.6
247.16937	1.2
247.20534	4.3
251.16353	1.1
253.14360	4.5
253.17998	3.3
255.15845	19.9
257.18979	12.2
259.20578	1.2
263.20154	1.3
267.15878	7.9
269.17438	31.7
270.17789	1.4
273.18411	7.0
275.20026	51.4
276.20505	1.5
285.17139	3.7
289.21780	1.7
291.19449	12.1
293.21021	4.3
297.16898	2.9
313.21619	1.9
321.24179	3.2
331.22729	2.6
337.24002	1.4
347.22305	2.6
349.23694	51.7
351.21591	1.3
365.23361	8.0
367.24860	4.2
373.18689	2.1
383.24054	1.4
409.25748	8.0
413.21326	1.5
423.27383	18.4
431.27719	2.2
435.27469	3.1
437.28946	3.8
439.26697	2.0
445.29492	1.9
447.31354	1.8
449.29022	9.0
462.29309	1.4
463.30325	3.7
465.28470	2.2
479.30212	2.2
487.33179	1.3
503.33762	7.7
517.35217	2.6
521.34399	1.6
525.35779	3.6
527.37518	1.9
529.35095	10.6
541.35126	1.5
543.36816	33.7
544.37183	1.7
547.36157	2.8
559.36334	6.3
561.38055	5.2
623.43011	9.9
639.42023	1.4
641.44336	5.3
687.40570	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.2
53.03945	9.6
56.96564	2.8
57.05348	0.6
58.02946	0.8
58.06585	1.9
59.06116	14.1
60.04521	2.7
61.04047	0.9
62.06071	1.0
69.48158	5.1
76.51567	0.5
77.03915	1.4
81.03396	0.9
85.07634	0.8
86.06044	2.4
87.04466	1.0
88.02386	0.6
92.30467	0.5
95.04959	18.0
102.04675	2.4
103.05456	100.0
103.08656	1.8
104.05802	1.6
104.10678	1.0
105.04504	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	103.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.2
51.29555	0.6
53.03935	11.1
55.01851	0.7
56.96546	2.1
58.06594	0.7
59.06116	6.3
59.98867	0.6
60.04500	1.3
61.58985	0.7
61.97295	0.6
62.20779	0.7
67.00156	0.6
69.90314	1.6
69.90740	2.6
77.03920	2.3
79.01874	1.0
81.03397	1.0
86.06041	1.2
95.04348	1.2
95.04951	18.5
98.21404	1.1
102.04655	2.0
103.05450	100.0
104.05794	2.4
104.10739	0.6
105.04493	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	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.2
53.03945	9.6
56.96564	2.8
57.05348	0.6
58.02946	0.8
58.06585	1.9
59.06116	14.1
60.04521	2.7
61.04047	0.9
62.06071	1.0
69.48158	5.1
76.51567	0.5
77.03915	1.4
81.03396	0.9
85.07634	0.8
86.06044	2.4
87.04466	1.0
88.02386	0.6
92.30467	0.5
95.04959	18.0
102.04675	2.4
103.05456	100.0
103.08656	1.8
104.05802	1.6
104.10678	1.0
105.04504	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	1019.6445
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75446	0.8
70.75795	0.6
77.03946	0.3
79.05472	6.0
81.03407	0.5
81.07041	16.3
83.04942	0.7
83.08602	3.9
85.02862	0.8
85.06508	0.7
91.05457	9.7
93.06458	0.8
93.07027	14.2
95.04940	1.6
95.08588	27.0
97.06519	1.1
97.10136	1.3
98.17450	0.4
99.08082	2.1
99.51102	0.4
103.05454	1.1
105.07011	30.8
107.04897	0.5
107.08573	30.3
108.08884	0.5
109.06521	2.6
109.10137	19.5
111.04413	0.5
111.08065	1.9
115.05397	0.5
116.06218	0.6
117.06968	3.5
119.04869	0.7
119.08558	48.8
121.06484	4.3
121.10120	22.5
123.08054	3.0
123.11678	6.1
125.05939	1.3
125.09589	1.3
128.06221	1.2
129.05373	0.5
129.06963	3.0
130.07745	1.0
131.04872	0.6
131.08546	32.5
133.06499	0.6
133.10104	32.5
135.08026	4.5
135.11662	12.0
137.05936	2.0
137.09573	3.4
137.13213	1.4
139.07518	0.9
141.06963	0.8
142.07747	1.4
143.07471	0.6
143.08540	10.6
144.09290	1.8
145.10095	40.1
147.04385	0.5
147.08020	4.4
147.11656	20.5
148.11957	0.5
149.05885	1.0
149.09592	2.6
149.13229	10.1
151.07538	1.4
151.11153	1.4
151.14815	0.7
153.09067	1.8
155.08530	2.3
156.09309	2.1
157.10100	13.3
158.10852	1.8
158.50783	0.4
159.08035	1.5
159.11671	20.9
161.09595	7.0
161.13225	24.0
163.07494	1.7
163.11151	4.5
163.14789	23.2
164.15143	0.5
165.09076	1.1
165.12799	0.7
167.07007	2.3
167.08243	0.4
167.10654	0.7
169.10092	3.6
170.10899	2.7
171.11661	13.1
172.12328	1.2
173.13232	43.8
174.13565	0.7
175.07549	1.2
175.11433	2.1
175.14792	55.1
176.11908	1.3
176.15182	1.0
177.09071	1.8
177.12712	4.7
177.16347	10.7
179.10649	0.9
179.14284	3.2
181.04947	1.2
181.08554	0.5
181.10095	1.0
182.10983	0.6
183.11688	6.1
184.12367	0.6
185.09576	0.8
185.13225	22.7
186.13808	0.5
187.11189	1.9
187.14787	44.8
188.15166	0.9
189.09056	0.8
189.12721	12.3
189.16338	14.4
191.14272	39.5
191.17908	7.7
193.10089	0.6
193.12163	0.5
193.15813	1.5
195.11755	2.0
196.12437	0.6
197.13249	6.3
198.13995	0.5
199.11110	1.4
199.14781	22.2
200.15187	0.6
201.12782	3.6
201.16342	39.1
203.10533	0.8
203.14288	9.0
203.17917	27.4
205.12259	1.4
205.15843	5.2
205.19424	1.2
207.11830	0.8
207.13728	4.0
207.17332	0.8
209.13229	1.8
209.15346	1.4
211.14827	4.7
213.12700	1.5
213.16353	21.7
214.16736	0.6
215.14305	5.4
215.17848	4.9
217.12202	3.5
217.15829	6.6
217.19467	0.6
219.13785	2.8
219.17404	3.4
221.13301	0.9
221.15216	2.7
223.14763	1.8
223.16780	0.9
225.12787	0.5
225.16405	4.0
227.14365	0.5
227.17889	7.3
229.12189	0.9
229.15865	3.5
229.19437	3.9
231.13828	2.6
231.17352	2.8
231.21074	1.3
233.15349	1.8
235.13222	10.3
235.16792	4.0
237.14474	3.5
237.16805	0.7
239.17926	4.7
241.15802	0.9
241.19441	6.7
243.13760	2.2
243.17419	2.9
243.21091	1.0
245.15349	5.7
245.18965	1.1
247.14467	0.6
247.16895	10.4
249.14731	7.0
249.18420	2.6
251.17973	2.8
253.14201	0.5
253.19453	5.2
255.17319	1.2
255.21075	2.6
257.15427	0.9
257.18951	0.4
257.22647	0.6
258.22812	0.4
259.16898	10.8
259.20706	0.4
261.14664	2.2
261.18475	1.0
263.16400	1.8
265.19492	1.7
267.20959	4.4
269.19055	1.0
269.22620	1.6
271.16861	2.3
273.18448	3.5
275.16275	1.0
277.19424	0.6
279.21100	1.2
281.22726	1.1
283.20331	0.7
285.18381	2.1
287.19940	1.0
289.17947	1.0
293.22610	1.2
295.24283	0.5
297.18549	0.6
297.22101	0.8
299.20071	2.6
303.21112	0.7
305.22562	1.5
307.24081	2.9
309.25848	1.3
311.20007	0.7
313.21722	0.6
317.22760	1.1
319.24106	1.1
323.23532	0.5
325.21448	1.0
331.24124	0.7
333.25699	0.7
335.23727	1.6
335.27383	0.6
337.21411	0.6
337.25116	0.6
339.23318	0.7
349.21497	0.8
349.25342	1.0
351.23187	1.3
353.24652	2.8
363.30594	0.9
366.43509	0.4
371.25763	2.0
373.28763	6.7
375.30380	6.4
377.32037	0.9
379.26294	0.5
381.27817	1.6
381.31998	0.8
391.29889	22.5
393.26996	0.6
393.31540	7.8
395.25348	0.5
395.33157	1.1
401.28384	1.5
403.30179	0.7
407.29474	0.5
409.30988	16.0
411.32513	7.3
413.26727	0.8
419.29391	20.9
420.29590	0.7
421.30920	5.5
427.32031	1.9
437.30450	47.1
438.30786	1.7
439.32059	10.9
447.28864	2.8
455.31494	100.0
456.32101	2.7
457.33072	14.7
465.23392	0.6
465.29965	12.5
466.30640	0.5
473.32553	30.3
474.32617	1.1
483.30975	29.5
484.31314	0.8
501.32034	27.3
502.32462	1.0
519.33148	3.9
646.45703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.6435
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04958	0.3
77.03886	0.4
79.05478	4.6
81.03387	0.3
81.06570	0.5
81.07042	9.8
83.04967	0.5
83.08597	2.0
85.02869	0.6
85.06506	0.8
91.05448	6.5
93.07026	10.7
95.04945	1.5
95.08590	20.7
97.06496	1.2
97.10126	0.8
99.08079	3.2
103.05444	0.5
105.07009	19.8
106.07336	0.3
106.65307	0.3
107.04932	0.7
107.08575	20.2
109.06504	2.0
109.10136	12.6
109.10679	0.2
111.04419	0.4
111.08060	1.9
113.06011	0.3
115.05450	0.5
116.06225	0.4
116.44190	0.3
117.06989	2.7
119.08559	33.3
121.06499	1.9
121.10124	14.8
121.11002	0.7
123.08079	1.5
123.11679	3.2
125.05930	1.0
125.09604	0.5
127.07493	0.4
128.06210	0.8
129.06975	2.1
130.07784	0.3
131.04898	0.4
131.08548	16.1
133.06485	0.5
133.10104	17.9
135.08057	2.9
135.11674	7.8
136.11844	0.3
137.05910	1.2
137.09604	1.6
137.13206	0.9
141.06946	0.4
142.07741	1.0
143.08534	6.7
144.09285	0.9
145.06403	0.6
145.10095	27.9
146.10568	0.5
147.04247	0.4
147.08018	1.5
147.11661	14.6
149.05978	0.8
149.09613	1.6
149.13223	5.2
151.07491	1.0
151.11136	0.8
151.14830	0.6
153.09045	1.4
155.08485	2.2
156.09262	1.4
157.10103	10.4
158.10883	1.4
159.08035	0.8
159.11665	16.9
160.15738	0.3
161.05949	0.4
161.09621	2.7
161.13231	13.7
163.07553	1.9
163.11174	2.3
163.14789	9.1
165.09093	0.4
165.12616	0.4
167.07013	1.7
167.10664	0.4
168.07434	0.5
169.10063	4.6
170.10849	1.3
171.07936	0.4
171.11655	9.8
171.13115	0.6
172.12392	0.9
173.09650	0.8
173.13232	25.3
174.13562	0.6
175.07559	0.4
175.11200	1.6
175.14793	41.3
176.15086	0.8
177.09102	0.9
177.12746	2.0
177.14937	0.5
177.16344	5.7
179.10600	0.7
179.14290	2.6
181.04860	0.7
181.10063	0.9
181.12202	0.5
182.10851	0.7
183.11635	4.8
184.12370	0.4
185.09601	0.6
185.13223	12.4
186.13914	0.6
187.11192	0.9
187.14789	24.1
189.09087	0.6
189.12700	4.5
189.16347	6.1
191.10674	0.6
191.14267	12.9
191.16061	0.6
191.17885	2.2
193.12169	0.5
193.15839	0.9
195.11658	1.5
195.13631	0.6
196.12410	0.5
197.13239	5.3
197.15056	0.6
198.13739	0.4
199.14780	18.8
201.12897	1.6
201.16341	24.9
202.16626	0.4
203.10623	0.6
203.14294	5.3
203.17917	10.5
205.12250	0.5
205.15865	3.3
207.11772	0.5
207.13820	1.2
209.07893	0.4
209.11604	0.3
209.13222	2.1
209.15343	1.1
211.14809	4.4
213.12724	0.9
213.16333	14.3
214.16896	0.6
215.10901	0.3
215.14365	2.5
215.17877	3.4
217.12207	1.1
217.15843	2.7
217.19424	0.6
219.13777	3.5
219.17358	1.7
221.13333	0.5
221.15305	3.7
223.14772	1.6
223.16924	1.8
225.16360	2.4
227.14336	0.7
227.17906	3.7
229.15857	1.3
229.19389	1.8
231.13782	1.3
231.17380	1.9
231.21002	0.8
233.15332	3.1
235.13058	2.4
235.16916	0.7
237.14590	5.0
237.16837	0.5
239.17874	3.0
241.19443	2.4
243.13857	0.8
243.17374	0.7
243.21149	0.3
245.15355	6.3
245.18996	0.6
247.16931	5.4
249.14693	3.0
249.18582	0.7
251.18089	1.6
253.19489	2.5
255.17332	0.5
255.21074	1.6
257.15491	0.6
257.18887	0.4
258.16101	0.5
259.16916	10.0
259.19800	0.6
261.14685	0.6
261.18567	0.4
263.18036	0.6
265.19464	1.1
267.21008	3.6
269.19061	0.5
269.22522	0.9
271.16931	0.5
273.18448	1.9
275.16455	0.4
275.20099	0.6
277.19327	0.5
279.20993	0.6
281.22577	0.8
283.16656	0.4
285.18567	0.6
285.22067	0.5
287.20129	0.8
291.20758	0.4
295.20496	0.4
297.18570	0.5
299.20123	0.5
303.23187	1.3
305.22684	0.6
307.21051	0.5
307.24121	2.0
309.25836	0.6
313.21494	0.5
317.22470	0.5
319.24191	0.7
321.21948	0.7
321.25531	0.5
325.21765	0.5
331.24167	0.5
335.23547	0.4
337.25122	0.6
353.24725	1.9
363.30603	0.7
373.28824	4.2
375.30362	3.3
377.24472	0.4
377.32230	0.5
381.27682	0.5
382.42767	0.3
391.29886	15.9
392.30209	0.6
393.31537	4.9
401.28360	1.3
403.29840	0.3
409.31024	8.8
410.31409	0.6
411.32544	4.3
419.29376	14.8
420.29657	0.4
421.30981	4.0
427.31940	0.7
437.30453	39.3
438.30966	1.0
439.32211	3.2
447.28745	1.9
455.31494	100.0
456.31848	3.5
457.33093	13.3
458.33072	0.4
465.29916	10.6
466.30566	0.5
473.32553	15.0
474.33026	0.8
483.30981	26.0
484.31290	0.8
497.25415	0.3
501.32056	17.1
502.31671	0.4
519.33215	2.3
524.33685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.6436
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77693	1.1
71.04976	0.8
77.03873	0.7
79.05472	5.5
81.07044	15.7
83.04939	0.6
83.08604	4.5
85.06487	0.4
91.04877	0.6
91.05449	9.0
91.50016	0.4
93.07024	14.5
95.04929	1.6
95.08591	25.5
97.06500	1.6
97.10116	1.5
99.08080	2.4
103.05455	0.6
105.04556	0.5
105.07011	31.1
106.60342	0.4
107.08577	28.1
108.08902	0.7
109.06484	2.4
109.10134	16.5
111.08057	3.0
111.11656	0.4
113.05968	0.7
115.05422	0.8
116.06208	0.6
117.06985	4.1
119.08556	45.8
120.08894	0.7
121.06482	4.4
121.10122	19.9
123.08066	2.9
123.11689	6.0
125.05934	1.0
125.09600	0.8
128.06189	0.9
129.06993	3.0
130.07729	1.3
131.08546	31.1
132.08917	0.5
133.06473	0.6
133.10109	29.1
134.10371	0.5
135.08032	4.1
135.11665	10.4
137.05954	0.5
137.09604	3.6
137.13208	1.6
139.07520	0.9
141.06927	0.8
141.82050	0.4
142.07777	1.6
143.08531	8.5
144.09261	1.5
145.10094	35.8
146.10406	0.8
147.08005	3.7
147.11659	22.5
149.05966	0.9
149.09601	3.1
149.13242	10.5
151.07513	1.1
151.11113	1.2
151.14728	0.7
153.06961	0.4
153.09077	2.4
155.08484	2.8
156.09279	1.8
157.10100	12.9
158.10808	1.5
159.08005	1.3
159.11662	21.5
160.12192	0.7
161.09586	6.6
161.13228	21.3
163.07484	1.2
163.11162	5.0
163.14789	20.3
164.15054	0.6
165.09029	0.5
165.12695	1.0
165.16563	0.4
167.10616	0.6
169.10121	3.6
170.10918	2.4
171.11658	13.1
172.08659	0.4
172.12393	1.3
173.09575	1.3
173.13231	44.5
174.13646	1.2
175.07547	0.7
175.11234	1.8
175.14792	54.8
176.11917	1.0
176.15103	1.5
177.09064	1.9
177.12767	5.5
177.16357	10.9
179.10609	0.8
179.14236	3.0
181.08627	0.6
181.10063	1.0
182.10863	0.9
183.11639	6.2
184.12355	0.6
185.09627	0.7
185.13223	21.0
186.13800	0.6
187.11162	1.5
187.14787	43.1
188.15138	1.2
189.09074	0.8
189.12724	12.7
189.16344	17.3
191.10660	1.3
191.14275	38.1
191.17903	7.9
192.14618	0.6
193.12201	0.5
193.15852	1.6
195.11642	2.0
195.13530	0.6
197.13260	5.3
199.11090	1.3
199.14781	24.7
200.11975	0.6
200.15298	0.4
201.12964	2.6
201.16347	41.2
202.16653	1.1
203.10570	0.5
203.14278	8.7
203.17924	27.0
204.18291	0.6
205.12213	1.4
205.15813	5.0
205.19522	1.0
207.11943	0.6
207.13791	3.3
207.17332	0.8
209.13206	1.7
209.15303	1.0
210.14040	0.4
211.14763	4.8
213.12704	1.7
213.16350	17.9
215.10951	0.4
215.14368	5.4
215.17896	4.7
217.12280	3.8
217.15820	5.7
217.19458	1.3
219.13731	3.5
219.17369	3.2
221.13301	0.8
221.15237	2.6
223.14746	2.3
223.16922	1.5
224.01035	0.4
225.12863	0.6
225.16354	3.1
225.18282	0.6
227.14278	0.9
227.17909	7.2
228.18617	0.5
229.12166	1.2
229.15819	2.7
229.19455	4.7
231.13847	2.9
231.17389	3.1
231.21014	0.9
233.13298	0.6
233.15286	2.0
235.13190	12.1
235.16757	3.3
237.14537	4.3
239.17909	4.1
241.15886	0.6
241.19463	5.1
243.13814	1.9
243.17430	2.7
243.21086	1.0
245.15352	5.6
245.19014	1.3
247.16910	11.1
249.14726	8.0
249.18448	3.5
251.18060	2.4
253.14320	1.1
253.19435	5.0
255.17339	1.2
255.21109	1.9
257.15421	1.2
257.19168	0.4
259.16895	11.3
259.19995	0.6
259.20535	0.5
261.14667	2.9
261.18610	0.9
263.16144	0.9
265.19302	1.4
267.20990	4.3
269.18948	1.2
269.22629	1.2
271.16907	1.6
273.18430	4.0
275.16342	0.8
275.20129	0.8
277.19629	0.5
279.21060	1.7
281.22623	1.4
283.16830	0.9
283.20477	0.6
285.18393	1.5
287.19980	1.0
289.17987	1.1
291.20987	0.8
293.22580	1.1
295.20596	0.6
295.23981	0.5
297.18301	0.8
299.20001	2.4
303.21140	0.6
305.22537	1.1
307.23959	2.8
309.25665	1.5
317.22595	1.5
319.24075	1.1
321.22095	0.4
323.20285	0.5
323.23761	0.5
323.27356	0.4
325.25061	1.0
331.24277	0.8
333.25598	0.7
335.23581	1.5
337.21744	0.5
337.25406	0.7
349.21295	0.7
351.22986	1.3
353.24673	2.1
355.26282	0.5
363.26663	0.8
363.30511	1.0
371.25644	2.2
373.28839	6.4
375.30432	5.6
377.32120	0.7
381.27756	1.3
381.31921	0.5
391.29880	22.4
392.30112	1.1
393.27713	0.6
393.31570	6.5
395.33237	0.8
399.28571	0.6
401.28360	1.2
403.29956	0.7
409.30997	16.1
410.31061	0.5
411.32507	6.9
419.29370	24.2
420.29584	1.3
421.30862	6.3
427.32495	2.2
437.30463	48.9
438.30811	2.5
439.32074	10.2
440.32501	0.6
447.28955	3.1
455.31500	100.0
456.31860	6.1
457.33072	15.5
458.33511	1.1
465.29993	10.7
466.30243	0.9
473.32547	32.0
474.32864	1.9
483.30988	29.7
484.31308	1.8
501.32047	29.2
502.32288	1.9
519.33124	3.4
542.34613	0.7
657.94092	0.5
1052.39856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01342	1.3
71.04981	7.0
73.02887	3.4
77.03896	1.5
79.05482	81.3
81.03410	19.7
81.07045	100.0
83.04978	16.3
83.08135	1.9
83.08610	26.6
85.02896	14.0
85.06524	4.9
91.03930	4.7
91.05467	72.7
93.07033	83.2
95.04951	19.6
95.08595	52.1
95.09090	1.1
95.09212	1.7
97.02875	12.0
97.06512	23.0
97.10152	17.4
98.24770	1.1
99.04418	2.8
99.08075	4.1
99.81831	1.0
103.05457	2.4
105.04426	1.1
105.07014	60.2
107.04945	16.6
107.08576	59.3
108.14434	1.0
109.02865	5.0
109.06522	11.8
109.09435	1.8
109.10138	21.6
111.04411	3.4
111.08067	11.3
113.09647	4.2
115.05423	3.1
117.07001	29.2
119.08563	45.9
120.08848	1.3
121.06468	8.0
121.10129	31.2
123.04402	1.4
123.08051	7.8
123.11694	9.3
125.09618	15.9
127.03876	6.4
128.06183	3.9
129.05486	2.6
129.06987	13.0
131.08554	36.7
133.06462	3.6
133.10109	41.8
135.08043	8.1
135.11665	23.2
137.09564	4.0
139.11122	1.3
141.06961	5.0
142.07755	1.8
143.08539	12.4
144.09348	1.8
145.04962	1.6
145.06401	3.1
145.10098	36.1
147.04312	1.2
147.08017	2.6
147.11667	22.2
149.09595	23.0
149.13242	18.6
151.11172	5.1
153.09157	2.0
153.12653	1.2
155.08513	7.9
157.10109	10.1
159.08015	2.5
159.11673	25.8
161.09631	3.0
161.13272	8.2
163.11182	17.1
163.14783	2.3
165.07068	1.2
165.09129	2.5
165.12761	2.0
167.08522	2.3
168.09349	1.3
169.10127	8.5
170.10835	1.3
171.10330	1.7
171.11693	9.7
173.04483	5.8
173.09563	3.3
173.11836	1.7
173.13190	10.4
175.11165	3.8
175.14799	2.5
177.12749	8.2
179.10646	1.3
179.14281	5.3
181.10062	3.7
181.12204	2.4
183.11702	7.5
185.09695	1.1
185.13216	4.4
187.11136	4.9
187.14793	3.1
189.11203	8.9
189.12663	2.3
191.14259	1.8
193.10060	1.3
195.11700	3.5
195.13779	6.7
197.13150	5.7
199.14734	3.3
201.16228	1.1
205.12193	1.4
207.13741	1.6
211.14833	3.0
213.14749	1.9
215.14302	2.0
215.17911	1.6
219.13844	1.5
225.16380	1.7
227.10611	1.0
227.12724	20.1
229.14276	2.7
229.19475	4.3
239.17989	5.0
245.13826	2.5
247.20610	4.1
251.16312	2.7
253.14273	1.7
253.17943	2.5
255.15883	17.8
257.18939	18.9
265.13925	1.5
267.15784	6.2
269.17429	57.2
270.17825	1.4
273.18549	2.7
275.20032	69.1
291.19424	1.5
293.17825	1.6
293.20944	5.5
309.20712	1.2
313.21561	1.6
321.24200	1.8
331.22672	7.1
339.22940	1.7
347.21991	1.6
349.23679	69.5
353.39059	1.2
355.22565	1.3
357.80392	1.1
367.24652	8.7
383.22031	1.5
409.25867	2.4
413.21600	3.5
423.27249	4.2
423.32468	1.5
431.27887	2.1
433.30762	2.3
435.27203	2.5
439.27008	2.7
445.29349	4.2
447.31042	3.1
449.28940	26.0
451.31686	2.6
463.30457	36.4
485.32510	1.7
489.32404	1.7
492.18219	1.1
493.27734	2.0
501.35687	1.6
503.33426	4.5
511.34274	2.8
515.36969	2.8
519.33038	4.7
525.35645	9.0
527.37109	2.0
529.35278	22.5
530.35565	1.8
531.37311	2.0
543.36774	85.1
544.36902	4.3
547.36951	2.5
561.37921	12.6
575.31128	1.4
583.39520	2.0
595.43536	2.8
605.42139	2.2
607.34491	6.2
623.42938	28.2
624.43323	1.4
641.44067	12.4
642.44385	1.6
659.44916	2.9
669.39838	2.3
687.41010	5.1
705.41418	3.5
749.45886	1.6
767.47302	1.4
785.48010	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5929
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	6.6
72.35313	0.9
73.02889	1.9
73.21613	1.0
77.03882	1.6
77.22692	0.9
78.04683	1.1
79.05478	63.7
81.03404	20.2
81.07040	100.0
83.04958	14.5
83.08134	1.4
83.08605	19.1
85.02884	13.4
85.06512	5.6
91.03928	2.2
91.04878	2.0
91.05464	59.0
93.07027	74.6
95.04948	18.4
95.08587	42.3
97.02871	8.7
97.06512	19.7
97.10156	11.2
99.04433	2.2
99.08072	3.8
103.03912	1.5
103.05435	4.2
105.04499	1.9
105.07013	50.4
107.04939	14.2
107.08575	50.0
109.02859	3.8
109.06494	11.7
109.10135	15.9
110.64602	0.9
111.04414	2.9
111.08075	7.0
113.09610	2.7
115.05435	3.8
117.06997	24.9
119.04948	1.4
119.08553	35.7
121.06446	7.3
121.10117	24.5
121.29137	1.0
123.04415	1.8
123.08028	6.4
123.11674	4.3
125.09602	11.9
127.03915	6.9
128.06161	2.0
129.05479	1.9
129.06982	8.5
130.07774	2.3
131.08537	30.5
133.06459	4.0
133.10107	34.0
134.10477	1.3
135.08020	7.2
135.11671	23.3
137.09595	3.7
139.07527	1.6
139.11124	2.7
141.06973	5.8
142.07796	1.5
143.08551	8.6
144.09367	1.2
145.04927	2.2
145.06453	3.3
145.10088	26.9
147.08025	2.9
147.11650	18.5
149.09590	18.2
149.13237	18.4
151.11139	3.7
155.08560	4.3
157.10112	8.9
159.08025	2.1
159.11661	25.6
161.09610	3.3
161.13222	5.7
163.11166	13.8
163.14758	1.3
165.09134	1.2
165.12808	3.1
167.08585	1.3
169.10068	5.0
171.10301	2.1
171.11670	6.9
173.04465	5.6
173.09595	2.2
173.11829	2.3
173.13235	7.5
175.11115	4.2
175.14838	1.9
177.12749	6.9
179.14302	3.5
181.10048	2.5
181.12228	2.9
183.11688	4.8
184.07187	1.9
185.13225	4.9
187.11180	2.3
187.14780	2.5
189.11188	4.4
189.12704	1.9
193.12317	1.2
195.11674	2.9
195.13773	10.3
197.13226	5.1
199.14886	2.3
201.12689	1.4
203.14400	1.6
209.13315	2.1
209.15208	1.2
211.14848	1.9
213.14706	2.0
215.14426	1.5
227.12756	12.8
227.17830	1.5
229.19493	2.6
233.18846	1.2
239.17917	4.1
245.13791	1.4
247.20503	4.0
249.14879	1.8
251.16440	3.2
253.14192	1.9
255.15828	16.5
257.18945	13.8
259.20560	1.4
264.80420	1.2
265.14322	1.1
267.15884	5.4
269.17429	54.2
275.20020	51.0
291.19492	1.7
293.17853	2.3
293.21027	5.7
303.15952	1.9
309.20825	1.2
313.21756	1.3
321.24371	1.2
331.22638	4.9
339.17978	1.6
349.23676	52.5
350.24048	1.7
367.24707	10.5
371.16870	1.3
395.20740	1.9
413.21539	4.4
423.27161	3.6
431.27948	1.4
433.31085	3.5
435.27060	3.1
439.26868	2.4
445.29471	4.7
449.28940	33.8
451.31921	2.0
463.30481	52.8
464.30573	1.5
469.32980	1.6
479.30045	2.0
493.27786	1.9
503.33374	2.6
511.34064	2.3
515.37006	3.6
519.32910	2.9
525.35638	8.9
527.37695	1.7
529.35297	15.1
543.36731	82.6
544.37146	3.4
547.36157	4.3
561.37830	14.7
562.37994	1.3
593.33203	1.4
605.41425	1.4
607.34546	8.3
623.43030	13.7
641.44269	9.3
651.37781	1.7
659.44757	3.5
687.40680	5.4
705.41583	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	101.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97864	0.2
53.03936	0.3
53.29874	0.1
55.01871	0.2
55.05503	8.1
56.05028	11.9
56.96560	3.8
57.03439	0.3
57.04556	1.9
58.02953	0.7
58.05329	0.6
58.06595	0.9
59.04995	27.3
59.06114	100.0
60.04515	11.8
60.05329	0.4
60.06454	0.7
60.64851	0.2
61.02916	0.6
67.51062	0.6
68.05010	0.2
69.04550	0.4
71.04988	0.5
71.61568	0.2
72.06905	0.4
72.08157	0.9
73.02905	0.2
73.07674	0.6
74.02434	0.2
74.06074	1.4
76.51599	0.3
78.55362	0.1
79.01841	1.6
83.04971	17.2
83.06069	3.5
84.04491	3.4
84.05312	0.4
84.06438	0.2
84.06877	0.6
84.08121	0.4
85.02895	1.0
88.02367	1.5
95.65323	0.2
101.02384	0.3
101.03489	0.5
101.04176	0.1
101.06062	3.8
101.07122	14.1
101.10748	0.2
102.04918	0.1
102.05528	1.0
102.07410	0.2
102.09144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.06
Annotation	3-Methyl-4-hydroxy-2-butenal
Peak:m/z	Relative Intensity
53.03937	0.5
53.34253	0.2
55.05500	12.3
56.05026	8.3
56.05863	0.2
56.96552	4.2
57.03429	0.7
57.04549	1.4
58.02969	0.4
58.05330	0.4
58.06595	0.4
59.04991	41.1
59.06111	100.0
60.04511	8.9
60.04807	0.4
60.05334	0.4
60.06456	0.4
61.02924	0.4
67.51063	0.9
70.19085	1.1
71.04996	0.4
72.06887	0.4
72.08146	0.5
72.13427	0.2
73.02935	0.4
73.06572	0.2
73.07674	0.5
74.02448	0.3
74.06068	0.9
76.51558	0.3
79.01834	1.6
83.04966	29.9
83.06046	3.0
84.04488	3.0
84.05273	0.5
84.06870	0.5
85.02895	1.0
88.02364	1.8
101.02357	0.2
101.03487	0.8
101.06023	6.2
101.07114	11.8
102.05531	0.9
102.09183	0.6
102.12799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
71.62193	1.3
73.02877	0.7
79.05463	1.8
81.03410	2.3
81.05773	0.9
85.02888	4.8
87.04456	0.8
91.05455	0.9
93.05750	0.8
93.07027	2.9
94.06561	7.1
95.07326	2.3
96.08118	7.4
96.08695	1.1
97.02866	2.6
98.46888	0.8
98.96686	0.7
101.97782	0.8
106.06528	3.0
107.07307	1.1
108.08099	12.1
109.02916	0.9
110.06013	1.1
110.09669	12.6
120.04450	2.7
120.08092	11.3
122.06013	11.5
122.09644	2.8
124.07570	6.3
127.03861	1.4
134.05956	1.9
134.09610	2.1
136.07559	17.1
138.05482	1.6
138.09117	24.7
144.04431	2.2
146.05997	14.4
146.09674	1.5
148.07549	10.2
150.09129	10.5
152.07048	11.7
158.06039	0.8
160.03989	1.5
160.07587	2.0
162.05493	2.1
162.09070	1.2
164.07050	8.5
166.08617	63.6
167.09009	1.1
172.03911	16.3
172.07610	0.7
174.05452	1.0
176.07024	1.7
182.08109	2.9
190.04971	14.9
191.05353	0.9
192.06583	1.1
192.10071	1.1
197.10692	1.2
198.11493	1.2
199.12299	1.3
204.06529	27.8
209.10600	1.0
210.11528	2.5
211.12289	4.3
212.09355	0.9
212.13014	0.9
213.14027	1.0
218.08066	3.5
220.09760	1.3
223.08542	1.0
223.12299	2.7
225.10164	3.2
225.13828	1.7
226.10977	1.8
227.11647	4.4
229.09541	0.9
235.08649	2.1
235.12222	1.6
236.09299	1.7
237.10139	5.1
237.13893	2.0
238.11024	3.3
239.11757	9.5
240.12540	1.9
241.13307	1.6
243.11246	1.4
245.12816	1.7
246.07602	1.4
248.09532	1.3
249.10152	9.6
250.10966	8.4
251.07933	0.8
251.11784	15.3
252.12505	3.7
253.09697	2.1
253.13284	7.3
255.11205	3.2
256.11984	1.2
257.12720	1.3
262.10977	1.7
263.11755	26.1
264.08905	3.0
264.12408	6.3
265.09778	4.8
265.13318	13.9
266.10483	3.2
266.13870	1.4
267.11227	9.5
268.11914	1.2
269.12726	4.1
271.10797	2.1
271.14352	6.3
273.12338	2.8
276.08752	0.9
277.09631	2.8
277.13187	1.2
278.10461	4.9
279.11227	20.1
280.11920	2.5
281.12823	15.2
282.09927	1.3
282.13287	1.0
283.10754	3.9
283.14127	1.5
284.11545	2.5
285.09354	1.4
285.12247	12.4
287.13901	3.3
291.11234	31.7
292.11990	7.9
293.09744	0.8
293.12781	25.0
294.13324	1.1
295.10785	6.5
295.14105	1.3
296.11484	3.0
297.12283	33.6
298.13058	3.6
299.13840	19.5
301.15561	0.8
303.04846	1.3
303.13324	0.8
304.08331	1.5
305.15036	0.9
307.10684	4.5
307.13855	0.9
309.08698	1.1
309.12283	23.3
310.12912	2.2
311.10233	2.5
311.13794	15.7
311.16983	0.4
312.14459	0.8
313.11990	1.0
313.15372	1.3
315.13351	16.3
316.13980	1.1
319.10718	19.0
320.11023	0.9
321.12195	3.8
323.10278	6.3
323.16409	3.4
324.11133	1.0
325.11786	36.7
326.12189	1.0
327.13315	4.2
328.14276	0.9
330.16043	0.9
334.09171	0.9
337.11768	100.0
338.12137	2.6
339.13315	6.9
341.11218	3.3
341.15012	1.0
343.12875	2.9
345.28577	0.9
351.13181	2.2
355.12906	4.0
356.13800	1.1
357.14407	10.5
358.15094	1.0
369.14276	7.1
370.15335	0.9
371.16174	3.7
373.13797	1.6
390.17844	1.5
392.20264	0.8
398.14969	1.3
399.15582	2.0
401.13214	7.3
402.17719	1.1
404.19580	3.2
414.18298	1.2
415.14914	1.0
416.15637	1.3
418.21237	2.4
420.19403	0.8
422.20761	1.0
430.17578	2.1
431.18393	1.2
432.19019	2.6
433.15845	1.6
434.16742	1.1
444.18970	4.4
446.21194	4.9
448.18628	2.4
449.19324	2.4
450.20187	4.5
458.17200	3.5
461.18997	1.0
462.20209	6.7
464.22028	16.6
472.18500	5.6
474.20398	1.3
476.18173	3.1
478.19714	1.0
481.15741	0.8
482.19174	2.4
487.16830	4.5
490.19681	32.4
491.19849	1.5
492.21545	0.9
494.19189	1.5
508.20670	5.1
514.21680	2.6
519.19739	1.2
522.22253	20.2
526.21716	1.8
584.24457	0.9
587.24658	1.1
603.27985	2.8
611.25049	4.7
626.26978	30.8
627.26630	1.1
629.25909	14.1
634.24011	2.8
643.27240	3.9
647.27063	53.8
648.27515	3.1
652.24927	75.9
653.24939	3.7
661.28387	1.9
670.26233	6.1
679.29639	29.1
680.30206	1.8
684.27527	57.1
685.27509	2.8
765.32996	1.2
773.29974	3.1
781.32178	0.9
791.30884	8.4
805.31879	1.3
809.32184	43.7
810.31952	2.1
814.30554	5.4
823.32593	2.4
841.34814	32.0
842.34546	1.7
968.25336	1.0
971.36102	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	1001.6335
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04976	0.7
71.62400	0.4
71.62802	0.4
73.36846	0.3
75.82274	0.4
78.66969	0.3
79.05470	3.2
81.03406	0.9
81.07047	10.0
83.04947	0.8
83.08601	2.6
85.02876	0.5
85.06531	0.9
91.05457	5.9
93.07023	10.4
95.04936	1.3
95.08591	18.3
97.02872	0.4
97.06512	0.9
97.10148	0.6
99.08054	0.5
101.08107	0.4
103.05480	0.4
105.07012	14.6
107.04937	0.5
107.08572	19.0
109.06487	1.5
109.10134	13.5
111.08054	2.4
113.06022	0.5
115.05443	0.3
117.06991	2.0
119.08558	28.3
121.06503	1.2
121.10118	18.6
123.08032	1.6
123.11684	3.5
125.05960	1.0
125.09579	0.6
127.07507	0.6
128.06227	0.6
129.06967	1.6
130.07730	0.5
131.08545	12.3
133.06462	0.5
133.10115	12.8
135.08026	2.9
135.11659	6.9
137.05919	0.8
137.09587	2.1
137.13225	0.9
139.11171	0.5
139.18134	0.3
142.07750	1.0
143.08525	7.7
144.09325	0.8
145.10094	19.9
146.10464	0.5
147.04353	1.0
147.07996	0.8
147.11665	11.0
149.05998	1.0
149.09558	1.6
149.13229	4.1
151.07523	1.3
151.11101	0.9
151.14783	1.0
153.09105	0.7
154.07626	0.5
155.07434	0.5
155.08530	2.8
156.09312	1.5
157.10094	9.6
158.10818	1.2
159.11670	13.5
160.12083	0.5
161.06026	0.5
161.09566	1.1
161.13222	12.2
163.07495	1.7
163.11140	1.3
163.14793	4.4
165.12785	0.4
167.06987	1.1
168.09299	0.5
169.10103	3.2
170.10855	1.4
171.11656	10.7
172.12366	1.1
173.09641	0.6
173.11726	0.7
173.13231	15.1
175.07555	0.6
175.11292	0.7
175.14795	16.9
177.09093	1.5
177.12730	2.2
177.16351	4.9
179.10654	0.8
179.14262	2.1
181.04994	0.6
181.08612	0.4
181.10023	0.7
181.12230	0.7
182.10913	0.5
183.11681	4.4
184.12431	0.5
185.09560	0.6
185.13223	11.7
186.14012	0.4
187.11298	0.7
187.14786	16.8
188.15218	0.4
189.09131	0.9
189.12750	1.3
189.16330	4.3
191.10777	0.4
191.14262	4.8
191.17833	0.6
193.12183	0.5
193.15837	1.0
195.11630	1.3
195.13660	0.4
197.13222	5.3
198.13792	0.6
199.14781	19.2
200.15233	0.7
201.12778	0.8
201.16342	14.5
203.14197	1.8
203.17918	2.7
205.12320	0.9
205.15857	5.2
207.11778	0.4
207.13875	0.7
209.13237	3.2
209.15312	0.9
211.12971	0.6
211.14798	4.8
213.12975	0.6
213.16350	18.7
214.16975	0.5
215.14308	1.6
215.17888	2.1
217.12375	0.7
217.15863	1.5
219.13780	1.6
219.17296	0.6
221.13205	0.6
221.15163	0.8
223.14748	1.5
223.16904	1.7
224.15500	0.4
225.16356	2.6
227.14294	0.6
227.17886	4.7
229.15910	0.8
229.19467	1.0
231.13782	2.2
231.17465	1.6
233.15314	3.6
235.14960	0.5
237.14510	0.7
237.16411	1.2
239.17923	2.6
241.19495	2.9
243.13721	0.6
243.17482	0.8
245.15347	6.1
245.17838	0.5
245.18925	0.6
247.16982	3.0
251.17897	2.1
253.19427	2.7
254.20204	0.5
255.17465	0.5
255.20987	0.9
257.15311	1.2
257.18802	0.5
258.16040	0.5
259.16913	14.8
263.17868	0.6
265.19415	1.4
267.21014	3.5
269.22345	0.6
271.17157	0.5
273.18442	4.6
275.20047	0.5
277.19485	0.5
279.21118	0.4
281.22528	0.6
283.20490	0.7
285.18405	1.3
285.22095	1.3
287.20016	0.9
291.20953	0.4
297.18503	0.6
297.21994	0.5
299.19968	1.0
303.23300	2.5
305.22534	0.6
307.24191	2.2
309.25729	0.5
311.19788	0.5
313.21561	0.7
317.22632	0.7
325.21747	0.5
335.23575	0.7
335.27438	0.4
353.24600	2.8
363.30383	0.6
373.28806	4.7
375.30441	2.3
381.27850	1.0
391.29880	22.4
392.30258	0.9
393.27280	0.5
393.31522	3.0
401.28513	0.9
409.31003	9.8
410.31265	0.6
411.32672	0.9
419.29343	11.9
421.30960	2.2
437.30450	41.8
438.30731	2.1
439.32779	0.7
447.28754	0.7
455.31488	100.0
456.31799	4.6
457.33054	1.4
465.29926	6.7
472.33804	0.5
480.30289	0.5
483.30994	23.4
484.31186	1.3
501.31995	7.7
524.33374	0.7
563.29987	0.4
610.77228	0.4
END